NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
636361 | 5zor | 36179 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 1.808 0.000 0.855 2 HA MET 1 HA MET 1 2.900 -0.710 -1.134 3 HB2 MET 1 2HB MET 1 0.247 0.058 -2.320 4 HB3 MET 1 3HB MET 1 1.672 -0.124 -3.335 5 HG2 MET 1 2HG MET 1 1.664 -2.363 -3.179 6 HG3 MET 1 3HG MET 1 1.146 -2.351 -1.495 7 HE1 MET 1 1HE MET 1 -1.113 -0.233 -3.998 8 HE2 MET 1 2HE MET 1 -0.035 -1.228 -4.977 9 HE3 MET 1 3HE MET 1 -1.769 -1.554 -4.965 10 H ALA 2 H ALA 2 0.863 2.119 -1.883 11 HA ALA 2 HA ALA 2 3.295 3.777 -1.849 12 HB1 ALA 2 1HB ALA 2 1.240 3.521 -4.000 13 HB2 ALA 2 2HB ALA 2 2.082 5.054 -3.768 14 HB3 ALA 2 3HB ALA 2 2.998 3.590 -4.127 15 H ALA 3 H ALA 3 3.110 5.738 -0.896 16 HA ALA 3 HA ALA 3 0.470 6.425 0.212 17 HB1 ALA 3 1HB ALA 3 3.254 6.945 1.214 18 HB2 ALA 3 2HB ALA 3 1.846 7.796 1.850 19 HB3 ALA 3 3HB ALA 3 1.955 6.042 1.995 20 H LEU 4 H LEU 4 -0.178 8.630 0.267 21 HA LEU 4 HA LEU 4 0.136 10.038 -2.095 22 HB2 LEU 4 2HB LEU 4 -0.808 11.976 -0.851 23 HB3 LEU 4 3HB LEU 4 -1.729 10.482 -0.689 24 HG LEU 4 HG LEU 4 -0.163 10.344 1.515 25 HD11 LEU 4 1HD1 LEU 4 0.614 12.726 0.788 26 HD12 LEU 4 2HD1 LEU 4 0.265 12.385 2.482 27 HD13 LEU 4 3HD1 LEU 4 -0.924 13.228 1.490 28 HD21 LEU 4 1HD2 LEU 4 -2.133 11.103 2.751 29 HD22 LEU 4 2HD2 LEU 4 -2.577 10.024 1.428 30 HD23 LEU 4 3HD2 LEU 4 -2.813 11.764 1.264 31 H THR 5 H THR 5 1.874 10.396 0.962 32 HA THR 5 HA THR 5 3.290 12.713 0.483 33 HB THR 5 HB THR 5 5.087 11.737 1.939 34 HG1 THR 5 HG1 THR 5 3.527 9.444 1.480 35 HG21 THR 5 1HG2 THR 5 2.701 11.011 3.450 36 HG22 THR 5 2HG2 THR 5 2.532 12.542 2.591 37 HG23 THR 5 3HG2 THR 5 3.861 12.309 3.726 38 H ASP 6 H ASP 6 4.092 9.408 -0.523 39 HA ASP 6 HA ASP 6 6.594 9.919 -1.646 40 HB2 ASP 6 2HB ASP 6 5.251 7.678 -1.265 41 HB3 ASP 6 3HB ASP 6 4.764 7.939 -2.938 42 H GLU 7 H GLU 7 3.374 10.010 -3.144 43 HA GLU 7 HA GLU 7 4.245 10.657 -5.740 44 HB2 GLU 7 2HB GLU 7 1.907 9.894 -4.867 45 HB3 GLU 7 3HB GLU 7 1.619 11.615 -4.656 46 HG2 GLU 7 2HG GLU 7 1.460 12.002 -6.867 47 HG3 GLU 7 3HG GLU 7 2.690 10.807 -7.276 48 H GLN 8 H GLN 8 3.549 12.627 -2.923 49 HA GLN 8 HA GLN 8 3.493 15.136 -4.204 50 HB2 GLN 8 2HB GLN 8 2.750 14.567 -1.832 51 HB3 GLN 8 3HB GLN 8 4.449 14.654 -1.386 52 HG2 GLN 8 2HG GLN 8 3.544 16.980 -2.882 53 HG3 GLN 8 3HG GLN 8 2.664 16.735 -1.374 54 HE21 GLN 8 1HE2 GLN 8 4.646 18.776 -2.221 55 HE22 GLN 8 2HE2 GLN 8 5.874 18.743 -1.007 56 H ILE 9 H ILE 9 6.127 13.565 -2.382 57 HA ILE 9 HA ILE 9 8.083 15.489 -2.972 58 HB ILE 9 HB ILE 9 9.733 13.718 -2.384 59 HG12 ILE 9 2HG1 ILE 9 7.257 12.001 -2.106 60 HG13 ILE 9 3HG1 ILE 9 8.524 11.794 -3.310 61 HG21 ILE 9 1HG2 ILE 9 9.294 13.855 -0.132 62 HG22 ILE 9 2HG2 ILE 9 8.273 15.151 -0.754 63 HG23 ILE 9 3HG2 ILE 9 7.564 13.589 -0.343 64 HD11 ILE 9 1HD1 ILE 9 9.897 11.757 -0.925 65 HD12 ILE 9 2HD1 ILE 9 8.404 10.891 -0.563 66 HD13 ILE 9 3HD1 ILE 9 9.434 10.355 -1.890 67 H ARG 10 H ARG 10 6.982 12.659 -4.724 68 HA ARG 10 HA ARG 10 9.110 12.488 -6.567 69 HB2 ARG 10 2HB ARG 10 7.595 10.634 -6.299 70 HB3 ARG 10 3HB ARG 10 6.223 11.625 -6.774 71 HG2 ARG 10 2HG ARG 10 6.913 10.123 -8.563 72 HG3 ARG 10 3HG ARG 10 7.113 11.814 -9.026 73 HD2 ARG 10 2HD ARG 10 9.453 11.716 -8.760 74 HD3 ARG 10 3HD ARG 10 9.366 10.188 -7.885 75 HE ARG 10 HE ARG 10 9.479 10.533 -10.708 76 HH11 ARG 10 1HH1 ARG 10 8.170 8.508 -8.197 77 HH12 ARG 10 2HH1 ARG 10 8.082 7.098 -9.200 78 HH21 ARG 10 1HH2 ARG 10 9.368 8.684 -12.038 79 HH22 ARG 10 2HH2 ARG 10 8.764 7.199 -11.385 80 H GLU 11 H GLU 11 5.923 14.057 -6.804 81 HA GLU 11 HA GLU 11 6.302 15.105 -9.392 82 HB2 GLU 11 2HB GLU 11 4.258 15.103 -7.461 83 HB3 GLU 11 3HB GLU 11 4.606 16.796 -7.783 84 HG2 GLU 11 2HG GLU 11 4.524 15.557 -10.287 85 HG3 GLU 11 3HG GLU 11 3.170 14.891 -9.376 86 H ALA 12 H ALA 12 6.976 16.405 -6.181 87 HA ALA 12 HA ALA 12 7.623 19.027 -6.929 88 HB1 ALA 12 1HB ALA 12 7.256 18.141 -4.593 89 HB2 ALA 12 2HB ALA 12 8.910 17.531 -4.658 90 HB3 ALA 12 3HB ALA 12 8.603 19.263 -4.790 91 H PHE 13 H PHE 13 9.809 16.272 -6.321 92 HA PHE 13 HA PHE 13 12.161 17.573 -7.117 93 HB2 PHE 13 2HB PHE 13 12.305 15.549 -5.832 94 HB3 PHE 13 3HB PHE 13 11.437 14.641 -7.065 95 HD1 PHE 13 HD1 PHE 13 12.667 13.314 -8.471 96 HD2 PHE 13 HD2 PHE 13 14.506 16.737 -6.735 97 HE1 PHE 13 HE1 PHE 13 14.804 12.692 -9.519 98 HE2 PHE 13 HE2 PHE 13 16.647 16.121 -7.781 99 HZ PHE 13 HZ PHE 13 16.797 14.097 -9.176 100 H ASN 14 H ASN 14 9.698 15.889 -8.942 101 HA ASN 14 HA ASN 14 11.138 15.595 -11.355 102 HB2 ASN 14 2HB ASN 14 8.915 14.493 -10.636 103 HB3 ASN 14 3HB ASN 14 8.154 15.967 -11.228 104 HD21 ASN 14 1HD2 ASN 14 8.438 16.521 -13.456 105 HD22 ASN 14 2HD2 ASN 14 8.718 15.281 -14.626 106 H LEU 15 H LEU 15 8.991 18.137 -10.146 107 HA LEU 15 HA LEU 15 9.035 19.706 -12.504 108 HB2 LEU 15 2HB LEU 15 7.879 19.842 -9.899 109 HB3 LEU 15 3HB LEU 15 8.654 21.384 -10.259 110 HG LEU 15 HG LEU 15 6.320 21.475 -10.864 111 HD11 LEU 15 1HD1 LEU 15 7.996 21.260 -13.360 112 HD12 LEU 15 2HD1 LEU 15 7.986 22.648 -12.273 113 HD13 LEU 15 3HD1 LEU 15 6.520 22.202 -13.146 114 HD21 LEU 15 1HD2 LEU 15 6.640 18.808 -11.547 115 HD22 LEU 15 2HD2 LEU 15 6.379 19.622 -13.090 116 HD23 LEU 15 3HD2 LEU 15 5.197 19.792 -11.792 117 H PHE 16 H PHE 16 10.819 19.970 -9.436 118 HA PHE 16 HA PHE 16 12.331 22.223 -10.064 119 HB2 PHE 16 2HB PHE 16 13.001 19.861 -8.302 120 HB3 PHE 16 3HB PHE 16 13.958 21.337 -8.366 121 HD1 PHE 16 HD1 PHE 16 11.933 19.771 -6.271 122 HD2 PHE 16 HD2 PHE 16 12.022 23.455 -8.401 123 HE1 PHE 16 HE1 PHE 16 10.471 20.785 -4.572 124 HE2 PHE 16 HE2 PHE 16 10.561 24.475 -6.705 125 HZ PHE 16 HZ PHE 16 9.784 23.141 -4.787 126 H ASP 17 H ASP 17 12.988 18.800 -10.678 127 HA ASP 17 HA ASP 17 15.559 19.247 -11.827 128 HB2 ASP 17 2HB ASP 17 14.776 17.078 -10.819 129 HB3 ASP 17 3HB ASP 17 13.758 16.855 -12.239 130 H ALA 18 H ALA 18 12.308 19.322 -13.020 131 HA ALA 18 HA ALA 18 12.661 18.845 -15.728 132 HB1 ALA 18 1HB ALA 18 10.823 21.047 -15.037 133 HB2 ALA 18 2HB ALA 18 10.539 19.577 -15.971 134 HB3 ALA 18 3HB ALA 18 10.549 19.514 -14.208 135 H ASP 19 H ASP 19 13.574 21.603 -13.822 136 HA ASP 19 HA ASP 19 13.778 23.604 -15.713 137 HB2 ASP 19 2HB ASP 19 14.529 23.310 -13.081 138 HB3 ASP 19 3HB ASP 19 16.078 23.503 -13.899 139 H GLY 20 H GLY 20 15.796 20.794 -15.249 140 HA2 GLY 20 2HA GLY 20 17.250 19.842 -16.794 141 HA3 GLY 20 3HA GLY 20 17.057 21.262 -17.810 142 H SER 21 H SER 21 17.847 21.804 -14.510 143 HA SER 21 HA SER 21 20.563 22.579 -15.325 144 HB2 SER 21 2HB SER 21 18.637 23.629 -13.296 145 HB3 SER 21 3HB SER 21 20.363 23.807 -12.983 146 HG SER 21 HG SER 21 20.139 25.510 -14.204 147 H GLY 22 H GLY 22 22.336 22.166 -13.889 148 HA2 GLY 22 2HA GLY 22 22.378 19.532 -12.882 149 HA3 GLY 22 3HA GLY 22 23.622 20.746 -12.625 150 H ALA 23 H ALA 23 21.607 22.572 -11.380 151 HA ALA 23 HA ALA 23 20.856 21.165 -8.949 152 HB1 ALA 23 1HB ALA 23 22.406 21.986 -7.568 153 HB2 ALA 23 2HB ALA 23 23.330 22.355 -9.025 154 HB3 ALA 23 3HB ALA 23 22.319 23.596 -8.284 155 H ILE 24 H ILE 24 19.527 22.477 -7.519 156 HA ILE 24 HA ILE 24 18.190 24.671 -8.964 157 HB ILE 24 HB ILE 24 16.919 22.879 -6.896 158 HG12 ILE 24 2HG1 ILE 24 15.697 22.290 -9.278 159 HG13 ILE 24 3HG1 ILE 24 17.373 22.497 -9.775 160 HG21 ILE 24 1HG2 ILE 24 15.398 24.447 -8.910 161 HG22 ILE 24 2HG2 ILE 24 14.960 23.992 -7.264 162 HG23 ILE 24 3HG2 ILE 24 16.104 25.305 -7.541 163 HD11 ILE 24 1HD1 ILE 24 18.054 20.628 -8.723 164 HD12 ILE 24 2HD1 ILE 24 16.917 20.831 -7.389 165 HD13 ILE 24 3HD1 ILE 24 16.361 20.177 -8.929 166 H ASP 25 H ASP 25 18.227 26.608 -8.038 167 HA ASP 25 HA ASP 25 19.294 26.866 -5.340 168 HB2 ASP 25 2HB ASP 25 18.763 28.849 -7.550 169 HB3 ASP 25 3HB ASP 25 19.238 29.347 -5.929 170 H ALA 26 H ALA 26 18.274 28.838 -4.101 171 HA ALA 26 HA ALA 26 15.672 28.047 -3.333 172 HB1 ALA 26 1HB ALA 26 17.097 30.627 -2.694 173 HB2 ALA 26 2HB ALA 26 15.724 29.941 -1.825 174 HB3 ALA 26 3HB ALA 26 17.281 29.114 -1.806 175 H GLU 27 H GLU 27 16.880 30.659 -5.374 176 HA GLU 27 HA GLU 27 14.536 32.137 -5.656 177 HB2 GLU 27 2HB GLU 27 15.505 32.894 -7.823 178 HB3 GLU 27 3HB GLU 27 16.624 33.005 -6.472 179 HG2 GLU 27 2HG GLU 27 17.494 30.729 -7.243 180 HG3 GLU 27 3HG GLU 27 16.611 31.045 -8.736 181 H GLU 28 H GLU 28 15.690 29.339 -7.500 182 HA GLU 28 HA GLU 28 13.583 29.297 -9.374 183 HB2 GLU 28 2HB GLU 28 15.878 27.708 -8.756 184 HB3 GLU 28 3HB GLU 28 14.490 26.643 -8.927 185 HG2 GLU 28 2HG GLU 28 14.888 26.708 -11.108 186 HG3 GLU 28 3HG GLU 28 14.229 28.342 -11.069 187 H MET 29 H MET 29 14.007 27.737 -6.230 188 HA MET 29 HA MET 29 11.720 26.113 -6.298 189 HB2 MET 29 2HB MET 29 13.587 25.942 -4.642 190 HB3 MET 29 3HB MET 29 12.964 27.387 -3.856 191 HG2 MET 29 2HG MET 29 11.399 26.245 -2.770 192 HG3 MET 29 3HG MET 29 10.923 25.361 -4.218 193 HE1 MET 29 1HE MET 29 11.585 23.337 -0.957 194 HE2 MET 29 2HE MET 29 12.961 24.389 -0.623 195 HE3 MET 29 3HE MET 29 11.408 25.087 -1.086 196 H ALA 30 H ALA 30 12.190 29.411 -5.072 197 HA ALA 30 HA ALA 30 9.566 29.774 -4.109 198 HB1 ALA 30 1HB ALA 30 10.920 32.177 -5.111 199 HB2 ALA 30 2HB ALA 30 10.272 31.820 -3.510 200 HB3 ALA 30 3HB ALA 30 11.862 31.214 -3.974 201 H LEU 31 H LEU 31 11.074 30.610 -7.215 202 HA LEU 31 HA LEU 31 8.903 31.912 -8.379 203 HB2 LEU 31 2HB LEU 31 11.441 31.217 -9.156 204 HB3 LEU 31 3HB LEU 31 10.432 30.248 -10.228 205 HG LEU 31 HG LEU 31 10.999 32.287 -11.345 206 HD11 LEU 31 1HD1 LEU 31 8.571 31.337 -11.317 207 HD12 LEU 31 2HD1 LEU 31 8.904 32.895 -12.073 208 HD13 LEU 31 3HD1 LEU 31 8.204 32.831 -10.456 209 HD21 LEU 31 1HD2 LEU 31 11.472 33.556 -9.228 210 HD22 LEU 31 2HD2 LEU 31 9.734 33.817 -9.081 211 HD23 LEU 31 3HD2 LEU 31 10.609 34.461 -10.471 212 H ALA 32 H ALA 32 9.753 28.471 -8.373 213 HA ALA 32 HA ALA 32 7.665 27.600 -10.049 214 HB1 ALA 32 1HB ALA 32 9.818 26.395 -9.023 215 HB2 ALA 32 2HB ALA 32 8.594 25.775 -7.914 216 HB3 ALA 32 3HB ALA 32 8.430 25.505 -9.649 217 H MET 33 H MET 33 7.912 27.648 -6.493 218 HA MET 33 HA MET 33 5.434 26.589 -5.878 219 HB2 MET 33 2HB MET 33 7.234 28.537 -4.486 220 HB3 MET 33 3HB MET 33 5.644 28.194 -3.816 221 HG2 MET 33 2HG MET 33 6.266 25.760 -3.873 222 HG3 MET 33 3HG MET 33 7.905 26.271 -4.268 223 HE1 MET 33 1HE MET 33 9.213 27.944 -2.919 224 HE2 MET 33 2HE MET 33 8.041 29.057 -2.214 225 HE3 MET 33 3HE MET 33 9.115 28.127 -1.168 226 H LYS 34 H LYS 34 6.292 29.954 -6.581 227 HA LYS 34 HA LYS 34 3.735 31.046 -6.094 228 HB2 LYS 34 2HB LYS 34 5.920 32.309 -6.287 229 HB3 LYS 34 3HB LYS 34 5.787 32.120 -8.030 230 HG2 LYS 34 2HG LYS 34 3.345 33.152 -7.391 231 HG3 LYS 34 3HG LYS 34 4.402 33.951 -6.226 232 HD2 LYS 34 2HD LYS 34 5.147 33.817 -9.125 233 HD3 LYS 34 3HD LYS 34 4.025 35.047 -8.541 234 HE2 LYS 34 2HE LYS 34 6.808 34.577 -7.474 235 HE3 LYS 34 3HE LYS 34 6.358 35.843 -8.616 236 HZ1 LYS 34 1HZ LYS 34 6.173 35.862 -5.806 237 HZ2 LYS 34 2HZ LYS 34 4.621 36.036 -6.457 238 HZ3 LYS 34 3HZ LYS 34 5.848 37.115 -6.895 239 H GLY 35 H GLY 35 5.308 29.926 -9.077 240 HA2 GLY 35 2HA GLY 35 3.290 30.616 -10.878 241 HA3 GLY 35 3HA GLY 35 4.431 29.299 -11.103 242 H LEU 36 H LEU 36 3.629 27.746 -8.851 243 HA LEU 36 HA LEU 36 1.347 26.439 -10.016 244 HB2 LEU 36 2HB LEU 36 2.739 25.793 -7.425 245 HB3 LEU 36 3HB LEU 36 1.698 24.731 -8.370 246 HG LEU 36 HG LEU 36 4.124 25.736 -9.729 247 HD11 LEU 36 1HD1 LEU 36 5.002 25.281 -7.503 248 HD12 LEU 36 2HD1 LEU 36 5.555 24.070 -8.659 249 HD13 LEU 36 3HD1 LEU 36 4.260 23.681 -7.526 250 HD21 LEU 36 1HD2 LEU 36 2.280 23.472 -9.821 251 HD22 LEU 36 2HD2 LEU 36 3.975 23.018 -10.005 252 HD23 LEU 36 3HD2 LEU 36 3.253 24.198 -11.100 253 H GLY 37 H GLY 37 1.932 28.636 -7.400 254 HA2 GLY 37 2HA GLY 37 0.474 29.761 -6.025 255 HA3 GLY 37 3HA GLY 37 -0.829 29.167 -7.045 256 H PHE 38 H PHE 38 1.275 26.839 -5.624 257 HA PHE 38 HA PHE 38 -0.626 26.346 -3.444 258 HB2 PHE 38 2HB PHE 38 0.044 24.545 -5.705 259 HB3 PHE 38 3HB PHE 38 -0.054 23.803 -4.111 260 HD1 PHE 38 HD1 PHE 38 -1.939 25.805 -6.584 261 HD2 PHE 38 HD2 PHE 38 -2.127 23.356 -3.107 262 HE1 PHE 38 HE1 PHE 38 -4.390 25.717 -6.781 263 HE2 PHE 38 HE2 PHE 38 -4.578 23.264 -3.300 264 HZ PHE 38 HZ PHE 38 -5.713 24.445 -5.139 265 H GLY 39 H GLY 39 0.230 25.222 -1.647 266 HA2 GLY 39 2HA GLY 39 1.856 24.627 -0.139 267 HA3 GLY 39 3HA GLY 39 2.861 24.206 -1.518 268 H ASP 40 H ASP 40 1.519 27.337 -0.508 269 HA ASP 40 HA ASP 40 4.110 28.570 -0.878 270 HB2 ASP 40 2HB ASP 40 2.141 29.765 -1.653 271 HB3 ASP 40 3HB ASP 40 1.443 29.723 -0.036 272 H LEU 41 H LEU 41 5.571 28.347 0.686 273 HA LEU 41 HA LEU 41 4.679 28.413 3.484 274 HB2 LEU 41 2HB LEU 41 7.036 27.225 2.090 275 HB3 LEU 41 3HB LEU 41 7.159 27.642 3.798 276 HG LEU 41 HG LEU 41 6.639 25.272 3.458 277 HD11 LEU 41 1HD1 LEU 41 5.870 26.396 5.482 278 HD12 LEU 41 2HD1 LEU 41 4.737 25.143 4.978 279 HD13 LEU 41 3HD1 LEU 41 4.368 26.840 4.672 280 HD21 LEU 41 1HD2 LEU 41 5.147 26.024 1.360 281 HD22 LEU 41 2HD2 LEU 41 3.880 25.852 2.575 282 HD23 LEU 41 3HD2 LEU 41 4.934 24.487 2.198 283 HA PRO 42 HA PRO 42 6.570 32.288 4.298 284 HB2 PRO 42 2HB PRO 42 7.604 31.912 6.781 285 HB3 PRO 42 3HB PRO 42 5.869 32.061 6.475 286 HG2 PRO 42 2HG PRO 42 7.516 29.594 6.885 287 HG3 PRO 42 3HG PRO 42 5.917 29.995 7.541 288 HD2 PRO 42 2HD PRO 42 6.250 28.356 5.411 289 HD3 PRO 42 3HD PRO 42 4.833 29.411 5.592 290 H ARG 43 H ARG 43 8.625 33.381 4.822 291 HA ARG 43 HA ARG 43 10.771 32.344 3.343 292 HB2 ARG 43 2HB ARG 43 12.069 34.230 4.269 293 HB3 ARG 43 3HB ARG 43 10.494 34.732 3.669 294 HG2 ARG 43 2HG ARG 43 10.387 35.831 5.620 295 HG3 ARG 43 3HG ARG 43 9.896 34.259 6.255 296 HD2 ARG 43 2HD ARG 43 12.408 33.844 6.600 297 HD3 ARG 43 3HD ARG 43 12.584 35.585 6.382 298 HE ARG 43 HE ARG 43 10.619 35.250 8.287 299 HH11 ARG 43 1HH1 ARG 43 13.980 34.417 7.926 300 HH12 ARG 43 2HH1 ARG 43 14.315 34.489 9.625 301 HH21 ARG 43 1HH2 ARG 43 11.048 35.348 10.526 302 HH22 ARG 43 2HH2 ARG 43 12.646 35.018 11.102 303 H ASP 44 H ASP 44 10.111 32.365 6.808 304 HA ASP 44 HA ASP 44 12.591 31.459 7.723 305 HB2 ASP 44 2HB ASP 44 11.473 30.864 9.759 306 HB3 ASP 44 3HB ASP 44 10.701 32.321 9.141 307 H GLU 45 H GLU 45 9.812 29.697 6.464 308 HA GLU 45 HA GLU 45 10.750 27.104 7.118 309 HB2 GLU 45 2HB GLU 45 8.375 27.833 6.458 310 HB3 GLU 45 3HB GLU 45 8.939 27.727 4.796 311 HG2 GLU 45 2HG GLU 45 9.469 25.378 6.491 312 HG3 GLU 45 3HG GLU 45 7.778 25.701 6.114 313 H VAL 46 H VAL 46 11.226 29.231 4.370 314 HA VAL 46 HA VAL 46 12.400 27.298 2.650 315 HB VAL 46 HB VAL 46 12.849 30.282 2.597 316 HG11 VAL 46 1HG1 VAL 46 13.431 28.037 0.754 317 HG12 VAL 46 2HG1 VAL 46 12.870 29.548 0.037 318 HG13 VAL 46 3HG1 VAL 46 14.322 29.532 1.038 319 HG21 VAL 46 1HG2 VAL 46 10.480 28.670 1.972 320 HG22 VAL 46 2HG2 VAL 46 10.620 30.392 2.327 321 HG23 VAL 46 3HG2 VAL 46 10.961 29.795 0.702 322 H GLU 47 H GLU 47 13.791 29.804 4.759 323 HA GLU 47 HA GLU 47 16.486 29.197 4.204 324 HB2 GLU 47 2HB GLU 47 16.974 30.457 6.286 325 HB3 GLU 47 3HB GLU 47 15.892 31.314 5.198 326 HG2 GLU 47 2HG GLU 47 13.979 30.586 6.560 327 HG3 GLU 47 3HG GLU 47 15.097 29.797 7.672 328 H ARG 48 H ARG 48 14.249 28.036 6.678 329 HA ARG 48 HA ARG 48 16.135 26.552 8.167 330 HB2 ARG 48 2HB ARG 48 13.860 27.219 8.964 331 HB3 ARG 48 3HB ARG 48 13.177 26.005 7.891 332 HG2 ARG 48 2HG ARG 48 14.566 24.302 9.120 333 HG3 ARG 48 3HG ARG 48 14.925 25.569 10.294 334 HD2 ARG 48 2HD ARG 48 12.247 25.790 10.173 335 HD3 ARG 48 3HD ARG 48 12.426 24.073 9.813 336 HE ARG 48 HE ARG 48 13.026 23.719 11.991 337 HH11 ARG 48 1HH1 ARG 48 13.288 27.117 11.280 338 HH12 ARG 48 2HH1 ARG 48 13.595 27.570 12.924 339 HH21 ARG 48 1HH2 ARG 48 13.430 24.303 14.159 340 HH22 ARG 48 2HH2 ARG 48 13.677 25.969 14.560 341 H THR 49 H THR 49 13.929 25.644 5.541 342 HA THR 49 HA THR 49 14.530 22.903 5.500 343 HB THR 49 HB THR 49 13.767 23.041 3.067 344 HG1 THR 49 HG1 THR 49 12.764 25.069 2.540 345 HG21 THR 49 1HG2 THR 49 12.320 23.338 5.518 346 HG22 THR 49 2HG2 THR 49 11.832 22.515 4.036 347 HG23 THR 49 3HG2 THR 49 11.493 24.233 4.244 348 H VAL 50 H VAL 50 15.940 25.620 3.704 349 HA VAL 50 HA VAL 50 17.726 24.092 2.148 350 HB VAL 50 HB VAL 50 17.987 26.966 3.044 351 HG11 VAL 50 1HG1 VAL 50 19.401 25.414 0.882 352 HG12 VAL 50 2HG1 VAL 50 19.431 27.173 1.020 353 HG13 VAL 50 3HG1 VAL 50 20.121 26.175 2.300 354 HG21 VAL 50 1HG2 VAL 50 16.096 25.776 1.362 355 HG22 VAL 50 2HG2 VAL 50 16.430 27.498 1.546 356 HG23 VAL 50 3HG2 VAL 50 17.250 26.570 0.290 357 H ARG 51 H ARG 51 18.052 25.630 5.313 358 HA ARG 51 HA ARG 51 20.810 25.169 5.649 359 HB2 ARG 51 2HB ARG 51 19.673 26.757 7.058 360 HB3 ARG 51 3HB ARG 51 18.591 25.512 7.668 361 HG2 ARG 51 2HG ARG 51 21.431 24.944 8.085 362 HG3 ARG 51 3HG ARG 51 20.840 26.382 8.919 363 HD2 ARG 51 2HD ARG 51 19.098 24.017 9.088 364 HD3 ARG 51 3HD ARG 51 20.658 23.862 9.894 365 HE ARG 51 HE ARG 51 19.491 26.315 10.610 366 HH11 ARG 51 1HH1 ARG 51 19.068 22.894 11.098 367 HH12 ARG 51 2HH1 ARG 51 18.323 23.075 12.651 368 HH21 ARG 51 1HH2 ARG 51 18.511 26.566 12.655 369 HH22 ARG 51 2HH2 ARG 51 18.006 25.164 13.536 370 H SER 52 H SER 52 17.966 23.262 6.557 371 HA SER 52 HA SER 52 19.373 21.226 7.918 372 HB2 SER 52 2HB SER 52 16.640 21.731 7.072 373 HB3 SER 52 3HB SER 52 17.073 20.033 6.875 374 HG SER 52 HG SER 52 16.357 21.179 9.080 375 H MET 53 H MET 53 18.042 21.332 4.613 376 HA MET 53 HA MET 53 19.044 18.831 3.808 377 HB2 MET 53 2HB MET 53 18.428 21.255 2.109 378 HB3 MET 53 3HB MET 53 18.621 19.611 1.515 379 HG2 MET 53 2HG MET 53 16.606 18.920 2.358 380 HG3 MET 53 3HG MET 53 16.583 20.157 3.612 381 HE1 MET 53 1HE MET 53 14.143 19.624 2.614 382 HE2 MET 53 2HE MET 53 13.394 20.821 1.557 383 HE3 MET 53 3HE MET 53 14.146 19.381 0.867 384 H ASN 54 H ASN 54 20.247 22.067 2.890 385 HA ASN 54 HA ASN 54 22.769 20.943 2.042 386 HB2 ASN 54 2HB ASN 54 21.764 22.794 0.783 387 HB3 ASN 54 3HB ASN 54 21.855 23.823 2.209 388 HD21 ASN 54 1HD2 ASN 54 24.135 21.580 0.675 389 HD22 ASN 54 2HD2 ASN 54 25.414 22.729 0.506 390 H THR 55 H THR 55 23.729 20.125 3.896 391 HA THR 55 HA THR 55 23.967 21.467 6.347 392 HB THR 55 HB THR 55 24.387 19.070 6.157 393 HG1 THR 55 HG1 THR 55 25.665 19.286 7.823 394 HG21 THR 55 1HG2 THR 55 25.540 19.240 3.918 395 HG22 THR 55 2HG2 THR 55 26.302 18.154 5.079 396 HG23 THR 55 3HG2 THR 55 26.984 19.754 4.789 397 H ASN 56 H ASN 56 25.949 21.538 3.443 398 HA ASN 56 HA ASN 56 27.743 23.475 4.739 399 HB2 ASN 56 2HB ASN 56 28.126 21.742 2.292 400 HB3 ASN 56 3HB ASN 56 29.259 22.998 2.784 401 HD21 ASN 56 1HD2 ASN 56 28.812 19.812 2.821 402 HD22 ASN 56 2HD2 ASN 56 29.659 19.386 4.265 403 H ALA 57 H ALA 57 27.027 25.485 4.422 404 HA ALA 57 HA ALA 57 25.405 26.302 2.258 405 HB1 ALA 57 1HB ALA 57 25.702 28.549 3.099 406 HB2 ALA 57 2HB ALA 57 25.451 27.438 4.445 407 HB3 ALA 57 3HB ALA 57 27.072 28.031 4.082 408 H ASN 58 H ASN 58 26.381 25.772 0.309 409 HA ASN 58 HA ASN 58 28.781 27.346 -0.359 410 HB2 ASN 58 2HB ASN 58 28.416 24.538 -0.496 411 HB3 ASN 58 3HB ASN 58 28.460 25.133 -2.153 412 HD21 ASN 58 1HD2 ASN 58 30.427 24.505 -2.789 413 HD22 ASN 58 2HD2 ASN 58 31.907 24.981 -2.035 414 H GLY 59 H GLY 59 25.671 27.554 -0.687 415 HA2 GLY 59 2HA GLY 59 24.374 28.754 -2.174 416 HA3 GLY 59 3HA GLY 59 25.798 28.958 -3.184 417 H LEU 60 H LEU 60 24.978 25.746 -2.276 418 HA LEU 60 HA LEU 60 23.492 25.287 -4.751 419 HB2 LEU 60 2HB LEU 60 26.187 24.825 -4.654 420 HB3 LEU 60 3HB LEU 60 25.526 23.248 -4.228 421 HG LEU 60 HG LEU 60 24.209 23.283 -6.330 422 HD11 LEU 60 1HD1 LEU 60 24.479 25.909 -6.380 423 HD12 LEU 60 2HD1 LEU 60 24.292 24.970 -7.861 424 HD13 LEU 60 3HD1 LEU 60 25.894 25.505 -7.354 425 HD21 LEU 60 1HD2 LEU 60 26.972 22.849 -5.972 426 HD22 LEU 60 2HD2 LEU 60 26.773 23.628 -7.542 427 HD23 LEU 60 3HD2 LEU 60 25.905 22.135 -7.181 428 H ILE 61 H ILE 61 22.161 23.476 -4.720 429 HA ILE 61 HA ILE 61 21.918 22.155 -2.095 430 HB ILE 61 HB ILE 61 19.717 22.739 -4.080 431 HG12 ILE 61 2HG1 ILE 61 20.032 23.875 -1.305 432 HG13 ILE 61 3HG1 ILE 61 20.697 24.677 -2.724 433 HG21 ILE 61 1HG2 ILE 61 19.064 20.772 -3.031 434 HG22 ILE 61 2HG2 ILE 61 19.790 21.235 -1.493 435 HG23 ILE 61 3HG2 ILE 61 18.309 22.020 -2.040 436 HD11 ILE 61 1HD1 ILE 61 18.312 25.266 -1.761 437 HD12 ILE 61 2HD1 ILE 61 18.656 25.306 -3.490 438 HD13 ILE 61 3HD1 ILE 61 17.836 23.913 -2.787 439 H GLU 62 H GLU 62 22.036 19.999 -2.033 440 HA GLU 62 HA GLU 62 22.476 18.565 -4.518 441 HB2 GLU 62 2HB GLU 62 22.659 17.698 -1.629 442 HB3 GLU 62 3HB GLU 62 23.014 16.652 -2.997 443 HG2 GLU 62 2HG GLU 62 24.497 19.063 -3.287 444 HG3 GLU 62 3HG GLU 62 24.738 18.437 -1.657 445 H TYR 63 H TYR 63 21.202 16.960 -5.343 446 HA TYR 63 HA TYR 63 18.432 17.039 -4.726 447 HB2 TYR 63 2HB TYR 63 18.202 15.298 -6.428 448 HB3 TYR 63 3HB TYR 63 19.270 16.578 -6.992 449 HD1 TYR 63 HD1 TYR 63 21.654 16.173 -7.284 450 HD2 TYR 63 HD2 TYR 63 19.054 13.077 -5.958 451 HE1 TYR 63 HE1 TYR 63 23.396 14.508 -7.776 452 HE2 TYR 63 HE2 TYR 63 20.790 11.403 -6.445 453 HH TYR 63 HH TYR 63 24.025 12.257 -7.135 454 H GLY 64 H GLY 64 21.043 14.800 -3.960 455 HA2 GLY 64 2HA GLY 64 19.449 12.718 -2.913 456 HA3 GLY 64 3HA GLY 64 21.144 12.996 -2.543 457 H GLU 65 H GLU 65 21.168 15.360 -1.251 458 HA GLU 65 HA GLU 65 20.233 14.661 1.328 459 HB2 GLU 65 2HB GLU 65 21.366 17.226 0.213 460 HB3 GLU 65 3HB GLU 65 20.946 17.023 1.908 461 HG2 GLU 65 2HG GLU 65 22.918 15.302 0.426 462 HG3 GLU 65 3HG GLU 65 23.348 16.693 1.420 463 H PHE 66 H PHE 66 18.934 16.622 -1.245 464 HA PHE 66 HA PHE 66 17.012 18.040 0.267 465 HB2 PHE 66 2HB PHE 66 17.648 18.781 -1.959 466 HB3 PHE 66 3HB PHE 66 17.035 17.288 -2.662 467 HD1 PHE 66 HD1 PHE 66 14.620 16.869 -2.772 468 HD2 PHE 66 HD2 PHE 66 16.188 20.569 -1.370 469 HE1 PHE 66 HE1 PHE 66 12.412 17.914 -3.070 470 HE2 PHE 66 HE2 PHE 66 13.984 21.620 -1.665 471 HZ PHE 66 HZ PHE 66 12.092 20.292 -2.515 472 H GLU 67 H GLU 67 16.607 15.212 -1.872 473 HA GLU 67 HA GLU 67 13.935 14.709 -1.152 474 HB2 GLU 67 2HB GLU 67 14.248 12.523 -2.203 475 HB3 GLU 67 3HB GLU 67 14.948 13.801 -3.187 476 HG2 GLU 67 2HG GLU 67 17.162 13.217 -2.071 477 HG3 GLU 67 3HG GLU 67 16.355 11.753 -1.511 478 H ARG 68 H ARG 68 16.993 13.551 0.163 479 HA ARG 68 HA ARG 68 15.979 11.558 1.855 480 HB2 ARG 68 2HB ARG 68 18.349 11.714 1.375 481 HB3 ARG 68 3HB ARG 68 18.435 13.294 2.142 482 HG2 ARG 68 2HG ARG 68 17.414 11.117 3.836 483 HG3 ARG 68 3HG ARG 68 19.107 10.990 3.354 484 HD2 ARG 68 2HD ARG 68 18.311 13.666 4.229 485 HD3 ARG 68 3HD ARG 68 18.166 12.432 5.480 486 HE ARG 68 HE ARG 68 20.669 12.242 4.163 487 HH11 ARG 68 1HH1 ARG 68 18.919 14.145 6.495 488 HH12 ARG 68 2HH1 ARG 68 20.343 14.668 7.331 489 HH21 ARG 68 1HH2 ARG 68 22.552 12.924 5.256 490 HH22 ARG 68 2HH2 ARG 68 22.409 13.974 6.625 491 H MET 69 H MET 69 16.625 14.999 2.460 492 HA MET 69 HA MET 69 15.856 14.987 5.172 493 HB2 MET 69 2HB MET 69 17.189 16.788 4.152 494 HB3 MET 69 3HB MET 69 15.798 17.271 3.191 495 HG2 MET 69 2HG MET 69 15.978 18.762 5.031 496 HG3 MET 69 3HG MET 69 14.575 17.731 5.302 497 HE1 MET 69 1HE MET 69 18.636 16.743 6.956 498 HE2 MET 69 2HE MET 69 18.255 17.748 5.558 499 HE3 MET 69 3HE MET 69 18.352 18.472 7.164 500 H VAL 70 H VAL 70 14.064 15.937 2.244 501 HA VAL 70 HA VAL 70 11.665 16.658 3.421 502 HB VAL 70 HB VAL 70 12.009 15.243 0.774 503 HG11 VAL 70 1HG1 VAL 70 9.784 17.025 1.761 504 HG12 VAL 70 2HG1 VAL 70 9.907 16.305 0.155 505 HG13 VAL 70 3HG1 VAL 70 9.691 15.275 1.571 506 HG21 VAL 70 1HG2 VAL 70 12.912 17.102 -0.042 507 HG22 VAL 70 2HG2 VAL 70 11.595 18.081 0.603 508 HG23 VAL 70 3HG2 VAL 70 13.003 17.729 1.604 509 H LYS 71 H LYS 71 12.756 13.444 2.397 510 HA LYS 71 HA LYS 71 10.357 12.091 3.041 511 HB2 LYS 71 2HB LYS 71 12.003 11.113 1.538 512 HB3 LYS 71 3HB LYS 71 13.193 11.063 2.832 513 HG2 LYS 71 2HG LYS 71 10.826 9.690 3.663 514 HG3 LYS 71 3HG LYS 71 11.352 9.076 2.094 515 HD2 LYS 71 2HD LYS 71 13.190 9.399 4.461 516 HD3 LYS 71 3HD LYS 71 12.336 7.900 4.085 517 HE2 LYS 71 2HE LYS 71 13.412 8.107 1.764 518 HE3 LYS 71 3HE LYS 71 14.483 9.290 2.512 519 HZ1 LYS 71 1HZ LYS 71 14.510 7.158 4.222 520 HZ2 LYS 71 2HZ LYS 71 15.721 7.565 3.114 521 HZ3 LYS 71 3HZ LYS 71 14.529 6.442 2.689 522 H SER 72 H SER 72 13.177 12.993 4.902 523 HA SER 72 HA SER 72 12.718 11.312 7.129 524 HB2 SER 72 2HB SER 72 14.551 13.419 6.406 525 HB3 SER 72 3HB SER 72 13.988 13.648 8.061 526 HG SER 72 HG SER 72 15.209 12.048 8.624 527 H ARG 73 H ARG 73 11.939 14.743 6.573 528 HA ARG 73 HA ARG 73 10.549 15.078 9.019 529 HB2 ARG 73 2HB ARG 73 9.679 17.161 7.959 530 HB3 ARG 73 3HB ARG 73 11.429 17.008 7.888 531 HG2 ARG 73 2HG ARG 73 11.291 16.290 5.570 532 HG3 ARG 73 3HG ARG 73 9.530 16.385 5.635 533 HD2 ARG 73 2HD ARG 73 10.542 18.359 4.566 534 HD3 ARG 73 3HD ARG 73 9.638 18.769 6.023 535 HE ARG 73 HE ARG 73 12.455 18.353 6.456 536 HH11 ARG 73 1HH1 ARG 73 9.975 20.651 5.628 537 HH12 ARG 73 2HH1 ARG 73 10.899 22.027 6.135 538 HH21 ARG 73 1HH2 ARG 73 13.681 20.156 7.127 539 HH22 ARG 73 2HH2 ARG 73 13.006 21.744 6.987 540 H MET 74 H MET 74 9.570 14.112 5.788 541 HA MET 74 HA MET 74 6.769 14.299 6.235 542 HB2 MET 74 2HB MET 74 8.490 12.956 4.178 543 HB3 MET 74 3HB MET 74 6.763 12.628 4.231 544 HG2 MET 74 2HG MET 74 7.773 15.438 4.145 545 HG3 MET 74 3HG MET 74 7.655 14.476 2.673 546 HE1 MET 74 1HE MET 74 4.455 16.985 4.355 547 HE2 MET 74 2HE MET 74 5.832 16.527 5.356 548 HE3 MET 74 3HE MET 74 6.098 17.300 3.793 549 H ALA 75 H ALA 75 9.164 11.788 6.734 550 HA ALA 75 HA ALA 75 7.520 9.569 7.050 551 HB1 ALA 75 1HB ALA 75 10.002 9.534 6.971 552 HB2 ALA 75 2HB ALA 75 10.023 10.141 8.627 553 HB3 ALA 75 3HB ALA 75 9.320 8.562 8.275 554 H GLN 76 H GLN 76 8.236 12.189 9.271 555 HA GLN 76 HA GLN 76 7.125 10.972 11.583 556 HB2 GLN 76 2HB GLN 76 8.663 12.789 11.864 557 HB3 GLN 76 3HB GLN 76 7.671 13.855 10.878 558 HG2 GLN 76 2HG GLN 76 7.567 14.242 13.353 559 HG3 GLN 76 3HG GLN 76 6.015 14.020 12.547 560 HE21 GLN 76 1HE2 GLN 76 8.508 11.856 13.858 561 HE22 GLN 76 2HE2 GLN 76 7.425 10.913 14.818 562 H LYS 77 H LYS 77 5.840 13.176 9.132 563 HA LYS 77 HA LYS 77 3.255 13.335 10.389 564 HB2 LYS 77 2HB LYS 77 4.612 14.571 8.112 565 HB3 LYS 77 3HB LYS 77 2.919 14.217 7.794 566 HG2 LYS 77 2HG LYS 77 2.770 16.331 8.651 567 HG3 LYS 77 3HG LYS 77 2.549 15.366 10.113 568 HD2 LYS 77 2HD LYS 77 5.331 15.740 9.757 569 HD3 LYS 77 3HD LYS 77 4.557 17.310 9.533 570 HE2 LYS 77 2HE LYS 77 3.317 16.884 11.679 571 HE3 LYS 77 3HE LYS 77 4.350 15.475 11.913 572 HZ1 LYS 77 1HZ LYS 77 6.102 16.745 12.462 573 HZ2 LYS 77 2HZ LYS 77 4.931 17.911 12.824 574 HZ3 LYS 77 3HZ LYS 77 5.737 17.955 11.337 575 H ASP 78 H ASP 78 1.332 12.414 9.676 576 HA ASP 78 HA ASP 78 1.511 10.377 7.576 577 HB2 ASP 78 2HB ASP 78 1.054 9.913 10.442 578 HB3 ASP 78 3HB ASP 78 -0.139 9.154 9.391 579 H SER 79 H SER 79 -0.786 9.456 7.163 580 HA SER 79 HA SER 79 -2.403 11.519 6.228 581 HB2 SER 79 2HB SER 79 -2.697 8.586 6.559 582 HB3 SER 79 3HB SER 79 -4.191 9.504 6.370 583 HG SER 79 HG SER 79 -2.952 8.703 4.409 584 HA PRO 80 HA PRO 80 -4.901 12.866 9.572 585 HB2 PRO 80 2HB PRO 80 -7.334 13.164 8.404 586 HB3 PRO 80 3HB PRO 80 -5.977 14.251 8.087 587 HG2 PRO 80 2HG PRO 80 -6.978 11.947 6.460 588 HG3 PRO 80 3HG PRO 80 -6.450 13.552 5.921 589 HD2 PRO 80 2HD PRO 80 -4.862 11.365 5.758 590 HD3 PRO 80 3HD PRO 80 -4.217 12.995 6.038 591 H GLU 81 H GLU 81 -6.433 10.296 7.646 592 HA GLU 81 HA GLU 81 -8.188 9.463 9.729 593 HB2 GLU 81 2HB GLU 81 -7.349 8.309 7.091 594 HB3 GLU 81 3HB GLU 81 -8.287 7.339 8.218 595 HG2 GLU 81 2HG GLU 81 -9.673 9.708 8.145 596 HG3 GLU 81 3HG GLU 81 -9.119 9.516 6.483 597 H GLU 82 H GLU 82 -5.038 8.360 8.568 598 HA GLU 82 HA GLU 82 -4.819 6.030 10.091 599 HB2 GLU 82 2HB GLU 82 -3.160 7.526 8.375 600 HB3 GLU 82 3HB GLU 82 -2.271 7.358 9.883 601 HG2 GLU 82 2HG GLU 82 -2.513 4.946 9.784 602 HG3 GLU 82 3HG GLU 82 -3.464 5.088 8.307 603 H VAL 83 H VAL 83 -3.670 9.317 10.841 604 HA VAL 83 HA VAL 83 -2.667 8.727 13.398 605 HB VAL 83 HB VAL 83 -3.744 11.354 12.365 606 HG11 VAL 83 1HG1 VAL 83 -3.623 11.401 14.768 607 HG12 VAL 83 2HG1 VAL 83 -1.994 10.725 14.739 608 HG13 VAL 83 3HG1 VAL 83 -2.288 12.347 14.110 609 HG21 VAL 83 1HG2 VAL 83 -1.519 9.877 11.536 610 HG22 VAL 83 2HG2 VAL 83 -1.882 11.563 11.168 611 HG23 VAL 83 3HG2 VAL 83 -0.880 11.161 12.562 612 H LEU 84 H LEU 84 -5.865 9.746 12.306 613 HA LEU 84 HA LEU 84 -7.026 10.275 14.788 614 HB2 LEU 84 2HB LEU 84 -8.080 9.423 12.130 615 HB3 LEU 84 3HB LEU 84 -9.164 9.449 13.520 616 HG LEU 84 HG LEU 84 -7.622 11.825 12.480 617 HD11 LEU 84 1HD1 LEU 84 -10.387 10.816 11.972 618 HD12 LEU 84 2HD1 LEU 84 -9.212 11.489 10.843 619 HD13 LEU 84 3HD1 LEU 84 -10.062 12.550 11.966 620 HD21 LEU 84 1HD2 LEU 84 -9.315 11.333 14.851 621 HD22 LEU 84 2HD2 LEU 84 -9.590 12.845 13.985 622 HD23 LEU 84 3HD2 LEU 84 -7.986 12.469 14.617 623 H LYS 85 H LYS 85 -7.116 7.255 12.895 624 HA LYS 85 HA LYS 85 -8.466 5.722 14.817 625 HB2 LYS 85 2HB LYS 85 -8.327 4.941 12.551 626 HB3 LYS 85 3HB LYS 85 -6.569 4.923 12.607 627 HG2 LYS 85 2HG LYS 85 -7.620 3.274 14.700 628 HG3 LYS 85 3HG LYS 85 -8.333 2.814 13.152 629 HD2 LYS 85 2HD LYS 85 -5.372 3.199 13.535 630 HD3 LYS 85 3HD LYS 85 -6.175 1.647 13.785 631 HE2 LYS 85 2HE LYS 85 -6.398 3.218 11.228 632 HE3 LYS 85 3HE LYS 85 -5.139 2.016 11.507 633 HZ1 LYS 85 1HZ LYS 85 -7.010 1.063 10.325 634 HZ2 LYS 85 2HZ LYS 85 -8.064 1.508 11.571 635 HZ3 LYS 85 3HZ LYS 85 -6.861 0.352 11.853 636 H ALA 86 H ALA 86 -5.014 6.256 14.264 637 HA ALA 86 HA ALA 86 -3.975 4.403 16.058 638 HB1 ALA 86 1HB ALA 86 -2.123 6.290 16.263 639 HB2 ALA 86 2HB ALA 86 -2.317 5.325 14.799 640 HB3 ALA 86 3HB ALA 86 -3.002 6.948 14.883 641 H PHE 87 H PHE 87 -4.892 7.793 16.628 642 HA PHE 87 HA PHE 87 -4.198 7.830 19.362 643 HB2 PHE 87 2HB PHE 87 -4.721 9.796 17.746 644 HB3 PHE 87 3HB PHE 87 -6.397 9.528 18.216 645 HD1 PHE 87 HD1 PHE 87 -7.084 11.158 19.671 646 HD2 PHE 87 HD2 PHE 87 -3.178 9.524 20.105 647 HE1 PHE 87 HE1 PHE 87 -6.738 12.528 21.686 648 HE2 PHE 87 HE2 PHE 87 -2.826 10.890 22.120 649 HZ PHE 87 HZ PHE 87 -4.608 12.394 22.914 650 H GLN 88 H GLN 88 -7.277 7.229 17.707 651 HA GLN 88 HA GLN 88 -8.944 7.023 19.908 652 HB2 GLN 88 2HB GLN 88 -9.159 6.555 17.170 653 HB3 GLN 88 3HB GLN 88 -9.562 5.010 17.907 654 HG2 GLN 88 2HG GLN 88 -11.412 5.861 18.997 655 HG3 GLN 88 3HG GLN 88 -10.826 7.521 18.908 656 HE21 GLN 88 1HE2 GLN 88 -11.866 8.749 17.528 657 HE22 GLN 88 2HE2 GLN 88 -12.659 8.225 16.085 658 H LEU 89 H LEU 89 -6.899 4.542 18.424 659 HA LEU 89 HA LEU 89 -7.736 2.443 20.149 660 HB2 LEU 89 2HB LEU 89 -6.750 1.969 17.994 661 HB3 LEU 89 3HB LEU 89 -5.252 2.766 18.471 662 HG LEU 89 HG LEU 89 -5.863 0.643 20.309 663 HD11 LEU 89 1HD1 LEU 89 -6.180 0.053 17.416 664 HD12 LEU 89 2HD1 LEU 89 -6.966 -0.677 18.815 665 HD13 LEU 89 3HD1 LEU 89 -5.304 -1.109 18.413 666 HD21 LEU 89 1HD2 LEU 89 -3.663 1.635 19.976 667 HD22 LEU 89 2HD2 LEU 89 -3.639 1.052 18.311 668 HD23 LEU 89 3HD2 LEU 89 -3.626 -0.098 19.649 669 H PHE 90 H PHE 90 -4.921 4.605 20.133 670 HA PHE 90 HA PHE 90 -3.595 3.523 22.342 671 HB2 PHE 90 2HB PHE 90 -3.397 5.895 20.707 672 HB3 PHE 90 3HB PHE 90 -3.122 6.294 22.400 673 HD1 PHE 90 HD1 PHE 90 -1.563 4.458 23.626 674 HD2 PHE 90 HD2 PHE 90 -1.541 5.395 19.474 675 HE1 PHE 90 HE1 PHE 90 0.742 3.614 23.451 676 HE2 PHE 90 HE2 PHE 90 0.764 4.552 19.292 677 HZ PHE 90 HZ PHE 90 1.908 3.659 21.282 678 H ASP 91 H ASP 91 -6.299 5.725 22.133 679 HA ASP 91 HA ASP 91 -6.808 5.379 24.965 680 HB2 ASP 91 2HB ASP 91 -7.134 7.911 25.212 681 HB3 ASP 91 3HB ASP 91 -5.479 7.309 25.203 682 H LEU 92 H LEU 92 -8.874 4.830 25.067 683 HA LEU 92 HA LEU 92 -10.711 5.179 22.966 684 HB2 LEU 92 2HB LEU 92 -12.394 4.387 24.558 685 HB3 LEU 92 3HB LEU 92 -10.942 3.388 24.568 686 HG LEU 92 HG LEU 92 -10.398 5.094 26.603 687 HD11 LEU 92 1HD1 LEU 92 -13.089 4.517 27.469 688 HD12 LEU 92 2HD1 LEU 92 -13.081 5.590 26.069 689 HD13 LEU 92 3HD1 LEU 92 -12.187 6.032 27.524 690 HD21 LEU 92 1HD2 LEU 92 -12.076 2.677 27.131 691 HD22 LEU 92 2HD2 LEU 92 -10.641 3.254 27.979 692 HD23 LEU 92 3HD2 LEU 92 -10.485 2.506 26.389 693 H ASP 93 H ASP 93 -9.991 7.090 25.808 694 HA ASP 93 HA ASP 93 -12.214 8.902 25.225 695 HB2 ASP 93 2HB ASP 93 -10.673 8.204 27.609 696 HB3 ASP 93 3HB ASP 93 -10.880 9.942 27.411 697 H LYS 94 H LYS 94 -11.534 11.316 25.750 698 HA LYS 94 HA LYS 94 -9.052 11.897 24.274 699 HB2 LYS 94 2HB LYS 94 -10.291 13.924 23.372 700 HB3 LYS 94 3HB LYS 94 -10.769 12.363 22.717 701 HG2 LYS 94 2HG LYS 94 -12.270 13.397 25.057 702 HG3 LYS 94 3HG LYS 94 -12.538 14.167 23.491 703 HD2 LYS 94 2HD LYS 94 -13.677 12.405 22.699 704 HD3 LYS 94 3HD LYS 94 -12.528 11.247 23.373 705 HE2 LYS 94 2HE LYS 94 -14.386 10.743 24.611 706 HE3 LYS 94 3HE LYS 94 -13.648 11.966 25.644 707 HZ1 LYS 94 1HZ LYS 94 -15.361 13.144 23.700 708 HZ2 LYS 94 2HZ LYS 94 -15.398 13.283 25.386 709 HZ3 LYS 94 3HZ LYS 94 -16.196 12.000 24.626 710 H LYS 95 H LYS 95 -8.263 12.004 26.551 711 HA LYS 95 HA LYS 95 -9.137 14.217 28.172 712 HB2 LYS 95 2HB LYS 95 -7.240 13.558 29.640 713 HB3 LYS 95 3HB LYS 95 -8.340 12.232 29.285 714 HG2 LYS 95 2HG LYS 95 -6.442 12.046 27.292 715 HG3 LYS 95 3HG LYS 95 -5.510 12.506 28.719 716 HD2 LYS 95 2HD LYS 95 -7.223 10.591 29.697 717 HD3 LYS 95 3HD LYS 95 -6.848 9.990 28.079 718 HE2 LYS 95 2HE LYS 95 -4.857 10.753 30.214 719 HE3 LYS 95 3HE LYS 95 -5.267 9.115 29.707 720 HZ1 LYS 95 1HZ LYS 95 -4.419 9.653 27.491 721 HZ2 LYS 95 2HZ LYS 95 -3.224 9.825 28.675 722 HZ3 LYS 95 3HZ LYS 95 -3.974 11.196 28.027 723 H GLY 96 H GLY 96 -6.516 13.552 25.932 724 HA2 GLY 96 2HA GLY 96 -5.062 14.984 24.873 725 HA3 GLY 96 3HA GLY 96 -6.026 16.315 25.494 726 H LYS 97 H LYS 97 -4.889 14.158 27.873 727 HA LYS 97 HA LYS 97 -2.751 16.058 28.582 728 HB2 LYS 97 2HB LYS 97 -4.669 14.496 30.294 729 HB3 LYS 97 3HB LYS 97 -3.160 15.119 30.949 730 HG2 LYS 97 2HG LYS 97 -3.945 17.389 30.029 731 HG3 LYS 97 3HG LYS 97 -5.534 16.628 29.930 732 HD2 LYS 97 2HD LYS 97 -4.093 16.276 32.480 733 HD3 LYS 97 3HD LYS 97 -4.620 17.920 32.114 734 HE2 LYS 97 2HE LYS 97 -6.829 16.442 31.464 735 HE3 LYS 97 3HE LYS 97 -6.183 15.556 32.844 736 HZ1 LYS 97 1HZ LYS 97 -7.305 17.061 34.032 737 HZ2 LYS 97 2HZ LYS 97 -7.433 18.153 32.747 738 HZ3 LYS 97 3HZ LYS 97 -6.023 18.107 33.679 739 H ILE 98 H ILE 98 -1.007 15.054 27.670 740 HA ILE 98 HA ILE 98 -0.229 12.506 28.891 741 HB ILE 98 HB ILE 98 0.135 13.045 25.945 742 HG12 ILE 98 2HG1 ILE 98 -1.554 10.959 25.990 743 HG13 ILE 98 3HG1 ILE 98 -2.083 11.772 27.459 744 HG21 ILE 98 1HG2 ILE 98 1.461 11.264 25.931 745 HG22 ILE 98 2HG2 ILE 98 1.400 11.270 27.693 746 HG23 ILE 98 3HG2 ILE 98 0.254 10.294 26.775 747 HD11 ILE 98 1HD1 ILE 98 -3.206 13.275 26.289 748 HD12 ILE 98 2HD1 ILE 98 -1.791 13.654 25.307 749 HD13 ILE 98 3HD1 ILE 98 -2.854 12.326 24.845 750 H SER 99 H SER 99 1.835 12.457 29.547 751 HA SER 99 HA SER 99 3.409 14.790 29.538 752 HB2 SER 99 2HB SER 99 4.760 12.175 29.957 753 HB3 SER 99 3HB SER 99 4.822 13.645 30.929 754 HG SER 99 HG SER 99 2.988 11.540 30.986 755 H PHE 100 H PHE 100 4.985 15.514 28.228 756 HA PHE 100 HA PHE 100 5.197 14.661 25.594 757 HB2 PHE 100 2HB PHE 100 7.127 16.133 25.418 758 HB3 PHE 100 3HB PHE 100 5.883 16.898 26.401 759 HD1 PHE 100 HD1 PHE 100 9.251 15.580 26.318 760 HD2 PHE 100 HD2 PHE 100 6.160 17.050 28.847 761 HE1 PHE 100 HE1 PHE 100 10.890 15.911 28.123 762 HE2 PHE 100 HE2 PHE 100 7.794 17.385 30.656 763 HZ PHE 100 HZ PHE 100 10.163 16.816 30.295 764 H ALA 101 H ALA 101 7.061 13.741 28.425 765 HA ALA 101 HA ALA 101 9.196 12.437 27.211 766 HB1 ALA 101 1HB ALA 101 8.610 10.922 29.470 767 HB2 ALA 101 2HB ALA 101 9.697 12.308 29.373 768 HB3 ALA 101 3HB ALA 101 8.013 12.540 29.841 769 H ASN 102 H ASN 102 6.052 11.097 28.210 770 HA ASN 102 HA ASN 102 6.486 8.465 27.407 771 HB2 ASN 102 2HB ASN 102 4.031 10.146 27.769 772 HB3 ASN 102 3HB ASN 102 3.884 8.535 27.073 773 HD21 ASN 102 1HD2 ASN 102 2.569 8.888 29.310 774 HD22 ASN 102 2HD2 ASN 102 3.359 8.145 30.655 775 H LEU 103 H LEU 103 5.119 11.189 25.585 776 HA LEU 103 HA LEU 103 4.494 9.828 23.235 777 HB2 LEU 103 2HB LEU 103 3.828 12.152 23.795 778 HB3 LEU 103 3HB LEU 103 5.484 12.666 23.475 779 HG LEU 103 HG LEU 103 5.208 11.928 21.123 780 HD11 LEU 103 1HD1 LEU 103 2.811 11.622 20.371 781 HD12 LEU 103 2HD1 LEU 103 2.413 11.355 22.068 782 HD13 LEU 103 3HD1 LEU 103 3.536 10.272 21.245 783 HD21 LEU 103 1HD2 LEU 103 4.439 13.958 20.542 784 HD22 LEU 103 2HD2 LEU 103 4.442 14.253 22.281 785 HD23 LEU 103 3HD2 LEU 103 2.950 13.775 21.470 786 H LYS 104 H LYS 104 7.510 11.423 24.202 787 HA LYS 104 HA LYS 104 8.923 11.042 21.816 788 HB2 LYS 104 2HB LYS 104 9.602 12.502 23.751 789 HB3 LYS 104 3HB LYS 104 10.105 11.044 24.596 790 HG2 LYS 104 2HG LYS 104 11.222 11.341 21.902 791 HG3 LYS 104 3HG LYS 104 11.723 12.578 23.058 792 HD2 LYS 104 2HD LYS 104 11.812 9.664 23.766 793 HD3 LYS 104 3HD LYS 104 13.129 10.426 22.871 794 HE2 LYS 104 2HE LYS 104 12.193 11.830 25.297 795 HE3 LYS 104 3HE LYS 104 13.036 10.303 25.551 796 HZ1 LYS 104 1HZ LYS 104 14.898 11.470 25.351 797 HZ2 LYS 104 2HZ LYS 104 14.087 12.842 24.786 798 HZ3 LYS 104 3HZ LYS 104 14.552 11.629 23.703 799 H GLU 105 H GLU 105 8.822 9.033 24.752 800 HA GLU 105 HA GLU 105 10.580 7.041 23.937 801 HB2 GLU 105 2HB GLU 105 9.749 7.206 26.225 802 HB3 GLU 105 3HB GLU 105 8.127 6.795 25.686 803 HG2 GLU 105 2HG GLU 105 8.679 4.580 25.290 804 HG3 GLU 105 3HG GLU 105 10.405 4.924 25.199 805 H VAL 106 H VAL 106 7.075 7.283 23.446 806 HA VAL 106 HA VAL 106 6.707 4.807 22.183 807 HB VAL 106 HB VAL 106 5.151 7.360 21.745 808 HG11 VAL 106 1HG1 VAL 106 4.576 5.896 19.995 809 HG12 VAL 106 2HG1 VAL 106 4.584 4.489 21.060 810 HG13 VAL 106 3HG1 VAL 106 3.307 5.698 21.203 811 HG21 VAL 106 1HG2 VAL 106 3.748 5.536 23.370 812 HG22 VAL 106 2HG2 VAL 106 5.382 5.646 24.024 813 HG23 VAL 106 3HG2 VAL 106 4.412 7.106 23.825 814 H ALA 107 H ALA 107 7.436 8.009 20.846 815 HA ALA 107 HA ALA 107 7.286 7.349 18.133 816 HB1 ALA 107 1HB ALA 107 7.414 9.604 18.391 817 HB2 ALA 107 2HB ALA 107 8.584 9.501 19.707 818 HB3 ALA 107 3HB ALA 107 9.111 9.277 18.039 819 H LYS 108 H LYS 108 10.159 7.482 20.244 820 HA LYS 108 HA LYS 108 11.991 6.537 18.344 821 HB2 LYS 108 2HB LYS 108 12.053 6.298 21.358 822 HB3 LYS 108 3HB LYS 108 13.424 5.995 20.298 823 HG2 LYS 108 2HG LYS 108 11.978 8.628 20.485 824 HG3 LYS 108 3HG LYS 108 13.447 8.227 21.378 825 HD2 LYS 108 2HD LYS 108 13.791 7.616 18.593 826 HD3 LYS 108 3HD LYS 108 13.244 9.284 18.782 827 HE2 LYS 108 2HE LYS 108 15.508 8.133 20.391 828 HE3 LYS 108 3HE LYS 108 15.756 8.882 18.815 829 HZ1 LYS 108 1HZ LYS 108 16.046 10.683 20.137 830 HZ2 LYS 108 2HZ LYS 108 15.032 10.110 21.363 831 HZ3 LYS 108 3HZ LYS 108 14.367 10.788 19.963 832 H LEU 109 H LEU 109 9.824 4.855 20.530 833 HA LEU 109 HA LEU 109 10.950 2.277 20.252 834 HB2 LEU 109 2HB LEU 109 9.215 3.194 21.949 835 HB3 LEU 109 3HB LEU 109 8.032 2.741 20.725 836 HG LEU 109 HG LEU 109 9.172 0.406 20.863 837 HD11 LEU 109 1HD1 LEU 109 10.851 1.666 22.567 838 HD12 LEU 109 2HD1 LEU 109 10.537 -0.069 22.582 839 HD13 LEU 109 3HD1 LEU 109 9.677 0.992 23.698 840 HD21 LEU 109 1HD2 LEU 109 7.683 0.884 23.352 841 HD22 LEU 109 2HD2 LEU 109 7.360 -0.238 22.029 842 HD23 LEU 109 3HD2 LEU 109 6.894 1.458 21.882 843 H LEU 110 H LEU 110 8.727 4.134 18.312 844 HA LEU 110 HA LEU 110 7.749 1.965 16.748 845 HB2 LEU 110 2HB LEU 110 7.731 4.942 16.486 846 HB3 LEU 110 3HB LEU 110 7.239 3.938 15.124 847 HG LEU 110 HG LEU 110 5.958 3.794 17.848 848 HD11 LEU 110 1HD1 LEU 110 4.402 5.355 17.259 849 HD12 LEU 110 2HD1 LEU 110 4.620 5.086 15.531 850 HD13 LEU 110 3HD1 LEU 110 5.814 6.016 16.435 851 HD21 LEU 110 1HD2 LEU 110 5.776 1.815 16.342 852 HD22 LEU 110 2HD2 LEU 110 4.971 2.850 15.161 853 HD23 LEU 110 3HD2 LEU 110 4.231 2.567 16.738 854 H GLY 111 H GLY 111 10.711 3.622 16.826 855 HA2 GLY 111 2HA GLY 111 12.621 2.984 15.617 856 HA3 GLY 111 3HA GLY 111 11.585 2.193 14.439 857 H GLU 112 H GLU 112 10.734 5.393 15.364 858 HA GLU 112 HA GLU 112 11.524 6.336 12.706 859 HB2 GLU 112 2HB GLU 112 9.141 6.555 13.886 860 HB3 GLU 112 3HB GLU 112 9.878 8.015 14.529 861 HG2 GLU 112 2HG GLU 112 8.786 8.727 12.608 862 HG3 GLU 112 3HG GLU 112 10.469 8.571 12.110 863 H ASN 113 H ASN 113 13.025 7.873 12.395 864 HA ASN 113 HA ASN 113 14.163 9.171 14.783 865 HB2 ASN 113 2HB ASN 113 15.466 7.852 12.450 866 HB3 ASN 113 3HB ASN 113 16.252 9.275 13.129 867 HD21 ASN 113 1HD2 ASN 113 17.771 7.243 13.326 868 HD22 ASN 113 2HD2 ASN 113 17.757 6.506 14.888 869 HA PRO 114 HA PRO 114 12.543 12.417 11.861 870 HB2 PRO 114 2HB PRO 114 11.244 13.838 13.773 871 HB3 PRO 114 3HB PRO 114 10.502 12.484 12.913 872 HG2 PRO 114 2HG PRO 114 11.758 12.542 15.630 873 HG3 PRO 114 3HG PRO 114 10.259 11.752 15.107 874 HD2 PRO 114 2HD PRO 114 12.583 10.400 15.429 875 HD3 PRO 114 3HD PRO 114 11.376 9.947 14.208 876 H GLY 115 H GLY 115 12.789 14.854 12.145 877 HA2 GLY 115 2HA GLY 115 15.477 15.376 13.020 878 HA3 GLY 115 3HA GLY 115 14.376 16.531 12.283 879 H ASP 116 H ASP 116 16.193 16.551 14.727 880 HA ASP 116 HA ASP 116 14.754 16.621 17.090 881 HB2 ASP 116 2HB ASP 116 17.048 18.417 16.270 882 HB3 ASP 116 3HB ASP 116 16.490 18.166 17.922 883 H ASP 117 H ASP 117 15.066 19.088 14.593 884 HA ASP 117 HA ASP 117 13.885 21.229 15.941 885 HB2 ASP 117 2HB ASP 117 13.659 20.621 12.986 886 HB3 ASP 117 3HB ASP 117 13.487 22.197 13.754 887 H VAL 118 H VAL 118 12.447 18.532 14.196 888 HA VAL 118 HA VAL 118 9.784 19.525 14.227 889 HB VAL 118 HB VAL 118 10.699 16.653 14.029 890 HG11 VAL 118 1HG1 VAL 118 8.313 16.944 14.567 891 HG12 VAL 118 2HG1 VAL 118 8.128 17.948 13.127 892 HG13 VAL 118 3HG1 VAL 118 8.561 16.245 12.967 893 HG21 VAL 118 1HG2 VAL 118 10.505 18.853 12.018 894 HG22 VAL 118 2HG2 VAL 118 11.766 17.638 12.234 895 HG23 VAL 118 3HG2 VAL 118 10.217 17.185 11.523 896 H LEU 119 H LEU 119 11.727 17.701 16.482 897 HA LEU 119 HA LEU 119 9.576 16.806 18.122 898 HB2 LEU 119 2HB LEU 119 12.206 16.190 17.937 899 HB3 LEU 119 3HB LEU 119 12.208 17.207 19.377 900 HG LEU 119 HG LEU 119 12.047 14.941 20.086 901 HD11 LEU 119 1HD1 LEU 119 10.557 16.698 21.149 902 HD12 LEU 119 2HD1 LEU 119 10.117 15.013 21.425 903 HD13 LEU 119 3HD1 LEU 119 9.230 15.973 20.241 904 HD21 LEU 119 1HD2 LEU 119 9.514 14.175 18.965 905 HD22 LEU 119 2HD2 LEU 119 11.067 13.343 18.896 906 HD23 LEU 119 3HD2 LEU 119 10.663 14.561 17.684 907 H GLN 120 H GLN 120 12.023 19.358 18.605 908 HA GLN 120 HA GLN 120 10.891 20.424 20.937 909 HB2 GLN 120 2HB GLN 120 12.446 22.014 18.901 910 HB3 GLN 120 3HB GLN 120 12.348 22.285 20.636 911 HG2 GLN 120 2HG GLN 120 13.844 20.166 19.147 912 HG3 GLN 120 3HG GLN 120 14.447 21.341 20.314 913 HE21 GLN 120 1HE2 GLN 120 12.679 21.047 22.369 914 HE22 GLN 120 2HE2 GLN 120 12.820 19.463 23.044 915 H GLU 121 H GLU 121 10.455 21.314 17.532 916 HA GLU 121 HA GLU 121 8.781 23.530 17.969 917 HB2 GLU 121 2HB GLU 121 9.152 21.673 15.629 918 HB3 GLU 121 3HB GLU 121 7.990 22.992 15.583 919 HG2 GLU 121 2HG GLU 121 10.739 23.677 16.414 920 HG3 GLU 121 3HG GLU 121 10.504 23.225 14.727 921 H MET 122 H MET 122 8.032 20.112 17.375 922 HA MET 122 HA MET 122 5.257 20.308 17.274 923 HB2 MET 122 2HB MET 122 6.439 18.269 16.665 924 HB3 MET 122 3HB MET 122 6.969 18.051 18.328 925 HG2 MET 122 2HG MET 122 4.880 17.407 19.054 926 HG3 MET 122 3HG MET 122 4.056 18.196 17.710 927 HE1 MET 122 1HE MET 122 2.882 14.754 17.027 928 HE2 MET 122 2HE MET 122 3.688 14.621 18.590 929 HE3 MET 122 3HE MET 122 2.765 16.071 18.194 930 H ILE 123 H ILE 123 7.299 19.524 20.092 931 HA ILE 123 HA ILE 123 5.246 19.432 21.983 932 HB ILE 123 HB ILE 123 8.125 20.242 22.403 933 HG12 ILE 123 2HG1 ILE 123 7.828 18.009 21.374 934 HG13 ILE 123 3HG1 ILE 123 8.493 17.910 23.001 935 HG21 ILE 123 1HG2 ILE 123 6.912 20.940 24.310 936 HG22 ILE 123 2HG2 ILE 123 5.955 19.460 24.332 937 HG23 ILE 123 3HG2 ILE 123 7.669 19.407 24.743 938 HD11 ILE 123 1HD1 ILE 123 6.271 17.346 23.859 939 HD12 ILE 123 2HD1 ILE 123 5.633 17.408 22.215 940 HD13 ILE 123 3HD1 ILE 123 6.834 16.192 22.650 941 H ALA 124 H ALA 124 7.149 22.145 20.780 942 HA ALA 124 HA ALA 124 6.345 24.080 22.639 943 HB1 ALA 124 1HB ALA 124 8.139 24.718 21.324 944 HB2 ALA 124 2HB ALA 124 7.355 24.211 19.827 945 HB3 ALA 124 3HB ALA 124 6.817 25.674 20.652 946 H GLU 125 H GLU 125 4.937 23.175 19.503 947 HA GLU 125 HA GLU 125 2.861 25.088 19.547 948 HB2 GLU 125 2HB GLU 125 3.462 22.624 17.996 949 HB3 GLU 125 3HB GLU 125 1.799 23.194 17.982 950 HG2 GLU 125 2HG GLU 125 4.159 24.917 17.275 951 HG3 GLU 125 3HG GLU 125 3.214 24.007 16.096 952 H ALA 126 H ALA 126 2.791 21.593 20.258 953 HA ALA 126 HA ALA 126 0.132 21.461 21.095 954 HB1 ALA 126 1HB ALA 126 2.484 19.779 21.952 955 HB2 ALA 126 2HB ALA 126 0.791 19.379 22.247 956 HB3 ALA 126 3HB ALA 126 1.401 19.468 20.595 957 H ASP 127 H ASP 127 2.991 22.550 22.759 958 HA ASP 127 HA ASP 127 1.986 22.405 25.403 959 HB2 ASP 127 2HB ASP 127 4.356 22.603 25.070 960 HB3 ASP 127 3HB ASP 127 4.158 24.102 24.167 961 H GLU 128 H GLU 128 1.603 24.701 22.821 962 HA GLU 128 HA GLU 128 0.833 26.966 24.259 963 HB2 GLU 128 2HB GLU 128 1.256 26.669 21.725 964 HB3 GLU 128 3HB GLU 128 -0.438 26.205 21.643 965 HG2 GLU 128 2HG GLU 128 -0.972 28.341 21.493 966 HG3 GLU 128 3HG GLU 128 -0.361 28.578 23.130 967 H ASP 129 H ASP 129 -0.857 24.013 23.610 968 HA ASP 129 HA ASP 129 -3.503 24.880 23.986 969 HB2 ASP 129 2HB ASP 129 -2.573 22.590 23.158 970 HB3 ASP 129 3HB ASP 129 -2.577 22.165 24.867 971 H GLY 130 H GLY 130 -0.997 23.912 26.262 972 HA2 GLY 130 2HA GLY 130 -2.591 25.076 28.422 973 HA3 GLY 130 3HA GLY 130 -2.089 23.401 28.601 974 H ASP 131 H ASP 131 -0.626 23.490 30.203 975 HA ASP 131 HA ASP 131 1.760 25.139 29.732 976 HB2 ASP 131 2HB ASP 131 -0.087 25.278 31.988 977 HB3 ASP 131 3HB ASP 131 1.577 24.995 32.494 978 H GLY 132 H GLY 132 2.865 23.318 28.974 979 HA2 GLY 132 2HA GLY 132 4.492 21.707 29.415 980 HA3 GLY 132 3HA GLY 132 3.936 21.638 31.081 981 H GLU 133 H GLU 133 1.581 21.368 28.576 982 HA GLU 133 HA GLU 133 1.483 18.451 28.984 983 HB2 GLU 133 2HB GLU 133 -0.795 20.429 28.902 984 HB3 GLU 133 3HB GLU 133 -1.028 18.696 28.717 985 HG2 GLU 133 2HG GLU 133 -0.338 18.255 30.912 986 HG3 GLU 133 3HG GLU 133 0.372 19.857 31.100 987 H VAL 134 H VAL 134 0.798 17.190 27.232 988 HA VAL 134 HA VAL 134 0.960 18.564 24.633 989 HB VAL 134 HB VAL 134 1.476 15.643 25.196 990 HG11 VAL 134 1HG1 VAL 134 1.012 17.056 22.798 991 HG12 VAL 134 2HG1 VAL 134 2.729 16.651 22.839 992 HG13 VAL 134 3HG1 VAL 134 1.517 15.378 22.994 993 HG21 VAL 134 1HG2 VAL 134 3.864 16.225 24.877 994 HG22 VAL 134 2HG2 VAL 134 3.416 17.931 24.878 995 HG23 VAL 134 3HG2 VAL 134 3.158 16.951 26.321 996 H SER 135 H SER 135 -0.993 18.888 23.792 997 HA SER 135 HA SER 135 -3.045 16.808 24.143 998 HB2 SER 135 2HB SER 135 -3.870 18.849 25.025 999 HB3 SER 135 3HB SER 135 -3.251 19.780 23.661 1000 HG SER 135 HG SER 135 -4.939 19.227 22.499 1001 H PHE 136 H PHE 136 -2.805 15.450 22.453 1002 HA PHE 136 HA PHE 136 -1.936 16.082 19.890 1003 HB2 PHE 136 2HB PHE 136 -3.003 13.792 21.232 1004 HB3 PHE 136 3HB PHE 136 -3.800 13.950 19.670 1005 HD1 PHE 136 HD1 PHE 136 -0.320 14.471 20.921 1006 HD2 PHE 136 HD2 PHE 136 -2.872 12.602 18.074 1007 HE1 PHE 136 HE1 PHE 136 1.642 13.469 19.825 1008 HE2 PHE 136 HE2 PHE 136 -0.915 11.596 16.974 1009 HZ PHE 136 HZ PHE 136 1.346 12.029 17.849 1010 H GLU 137 H GLU 137 -5.072 16.430 21.351 1011 HA GLU 137 HA GLU 137 -6.710 16.564 19.111 1012 HB2 GLU 137 2HB GLU 137 -7.325 16.663 21.613 1013 HB3 GLU 137 3HB GLU 137 -7.057 18.394 21.473 1014 HG2 GLU 137 2HG GLU 137 -8.708 18.244 19.487 1015 HG3 GLU 137 3HG GLU 137 -9.170 16.704 20.211 1016 H GLU 138 H GLU 138 -4.626 19.020 20.541 1017 HA GLU 138 HA GLU 138 -5.521 21.205 19.005 1018 HB2 GLU 138 2HB GLU 138 -3.795 20.925 21.075 1019 HB3 GLU 138 3HB GLU 138 -2.662 21.149 19.750 1020 HG2 GLU 138 2HG GLU 138 -4.956 23.027 20.049 1021 HG3 GLU 138 3HG GLU 138 -3.546 23.194 21.094 1022 H PHE 139 H PHE 139 -2.738 19.032 18.545 1023 HA PHE 139 HA PHE 139 -1.786 20.136 16.172 1024 HB2 PHE 139 2HB PHE 139 -0.845 18.229 17.734 1025 HB3 PHE 139 3HB PHE 139 -1.664 17.176 16.584 1026 HD1 PHE 139 HD1 PHE 139 0.514 20.208 16.443 1027 HD2 PHE 139 HD2 PHE 139 -0.332 16.317 14.938 1028 HE1 PHE 139 HE1 PHE 139 2.441 20.381 14.922 1029 HE2 PHE 139 HE2 PHE 139 1.593 16.483 13.416 1030 HZ PHE 139 HZ PHE 139 2.983 18.516 13.406 1031 H LYS 140 H LYS 140 -3.977 17.356 16.587 1032 HA LYS 140 HA LYS 140 -4.459 16.808 13.917 1033 HB2 LYS 140 2HB LYS 140 -5.207 15.408 15.830 1034 HB3 LYS 140 3HB LYS 140 -6.455 16.597 16.179 1035 HG2 LYS 140 2HG LYS 140 -7.456 14.799 14.983 1036 HG3 LYS 140 3HG LYS 140 -7.383 16.194 13.904 1037 HD2 LYS 140 2HD LYS 140 -4.983 14.633 13.664 1038 HD3 LYS 140 3HD LYS 140 -6.400 13.604 13.436 1039 HE2 LYS 140 2HE LYS 140 -5.998 16.230 12.015 1040 HE3 LYS 140 3HE LYS 140 -5.497 14.677 11.349 1041 HZ1 LYS 140 1HZ LYS 140 -7.897 15.782 10.945 1042 HZ2 LYS 140 2HZ LYS 140 -8.238 14.789 12.271 1043 HZ3 LYS 140 3HZ LYS 140 -7.597 14.119 10.856 1044 H SER 141 H SER 141 -6.263 18.993 16.068 1045 HA SER 141 HA SER 141 -8.205 19.829 14.267 1046 HB2 SER 141 2HB SER 141 -8.622 20.552 16.426 1047 HB3 SER 141 3HB SER 141 -6.953 21.054 16.693 1048 HG SER 141 HG SER 141 -8.934 22.368 15.150 1049 H VAL 142 H VAL 142 -4.981 21.185 14.872 1050 HA VAL 142 HA VAL 142 -5.143 23.359 13.120 1051 HB VAL 142 HB VAL 142 -2.686 21.753 13.838 1052 HG11 VAL 142 1HG1 VAL 142 -3.081 24.413 12.517 1053 HG12 VAL 142 2HG1 VAL 142 -1.611 24.058 13.426 1054 HG13 VAL 142 3HG1 VAL 142 -2.046 23.071 12.030 1055 HG21 VAL 142 1HG2 VAL 142 -2.866 22.592 15.885 1056 HG22 VAL 142 2HG2 VAL 142 -2.838 24.225 15.220 1057 HG23 VAL 142 3HG2 VAL 142 -4.375 23.388 15.437 1058 H MET 143 H MET 143 -3.903 20.070 12.563 1059 HA MET 143 HA MET 143 -3.094 20.380 9.923 1060 HB2 MET 143 2HB MET 143 -2.596 18.393 11.286 1061 HB3 MET 143 3HB MET 143 -4.288 17.921 11.215 1062 HG2 MET 143 2HG MET 143 -4.088 17.742 8.756 1063 HG3 MET 143 3HG MET 143 -2.368 18.091 8.907 1064 HE1 MET 143 1HE MET 143 -1.090 16.234 8.174 1065 HE2 MET 143 2HE MET 143 -0.557 16.307 9.854 1066 HE3 MET 143 3HE MET 143 -0.901 14.748 9.104 1067 H MET 144 H MET 144 -6.272 19.441 11.201 1068 HA MET 144 HA MET 144 -7.527 19.014 8.727 1069 HB2 MET 144 2HB MET 144 -8.260 18.893 11.418 1070 HB3 MET 144 3HB MET 144 -9.332 20.100 10.721 1071 HG2 MET 144 2HG MET 144 -10.204 18.567 9.157 1072 HG3 MET 144 3HG MET 144 -8.933 17.393 9.491 1073 HE1 MET 144 1HE MET 144 -12.348 18.566 12.286 1074 HE2 MET 144 2HE MET 144 -10.748 19.115 12.783 1075 HE3 MET 144 3HE MET 144 -11.407 19.614 11.224 1076 H GLN 145 H GLN 145 -7.317 21.915 10.761 1077 HA GLN 145 HA GLN 145 -8.954 23.591 9.256 1078 HB2 GLN 145 2HB GLN 145 -7.770 23.953 11.557 1079 HB3 GLN 145 3HB GLN 145 -6.477 24.638 10.581 1080 HG2 GLN 145 2HG GLN 145 -8.502 25.997 9.541 1081 HG3 GLN 145 3HG GLN 145 -9.198 25.668 11.127 1082 HE21 GLN 145 1HE2 GLN 145 -8.145 28.139 9.757 1083 HE22 GLN 145 2HE2 GLN 145 -7.055 28.830 10.905 1084 H MET 146 H MET 146 -5.484 22.936 8.953 1085 HA MET 146 HA MET 146 -4.981 24.793 6.892 1086 HB2 MET 146 2HB MET 146 -3.561 22.254 7.696 1087 HB3 MET 146 3HB MET 146 -2.961 23.338 6.448 1088 HG2 MET 146 2HG MET 146 -3.188 25.142 8.324 1089 HG3 MET 146 3HG MET 146 -3.127 23.742 9.392 1090 HE1 MET 146 1HE MET 146 0.310 22.294 9.036 1091 HE2 MET 146 2HE MET 146 -0.631 23.005 10.348 1092 HE3 MET 146 3HE MET 146 -1.407 21.921 9.192 1093 H ARG 147 H ARG 147 -5.714 21.317 6.800 1094 HA ARG 147 HA ARG 147 -5.523 20.919 4.059 1095 HB2 ARG 147 2HB ARG 147 -7.193 19.609 6.189 1096 HB3 ARG 147 3HB ARG 147 -7.313 19.107 4.508 1097 HG2 ARG 147 2HG ARG 147 -4.740 19.149 6.066 1098 HG3 ARG 147 3HG ARG 147 -5.776 17.730 5.898 1099 HD2 ARG 147 2HD ARG 147 -5.468 18.607 3.303 1100 HD3 ARG 147 3HD ARG 147 -3.884 18.900 4.020 1101 HE ARG 147 HE ARG 147 -4.612 16.342 4.767 1102 HH11 ARG 147 1HH1 ARG 147 -4.030 18.069 1.801 1103 HH12 ARG 147 2HH1 ARG 147 -3.487 16.668 0.939 1104 HH21 ARG 147 1HH2 ARG 147 -3.899 14.490 3.643 1105 HH22 ARG 147 2HH2 ARG 147 -3.413 14.632 1.988 1106 H GLY 148 H GLY 148 -8.294 22.015 5.985 1107 HA2 GLY 148 2HA GLY 148 -10.101 22.138 3.787 1108 HA3 GLY 148 3HA GLY 148 -10.324 22.897 5.356 1109 H LYS 149 H LYS 149 -8.467 24.738 5.604 1110 HA LYS 149 HA LYS 149 -9.289 26.798 3.860 1111 HB2 LYS 149 2HB LYS 149 -7.747 28.206 5.042 1112 HB3 LYS 149 3HB LYS 149 -8.492 27.120 6.207 1113 HG2 LYS 149 2HG LYS 149 -6.417 26.727 6.908 1114 HG3 LYS 149 3HG LYS 149 -6.255 25.731 5.459 1115 HD2 LYS 149 2HD LYS 149 -4.480 27.069 5.063 1116 HD3 LYS 149 3HD LYS 149 -5.710 28.168 4.435 1117 HE2 LYS 149 2HE LYS 149 -5.565 28.538 7.242 1118 HE3 LYS 149 3HE LYS 149 -3.918 28.548 6.615 1119 HZ1 LYS 149 1HZ LYS 149 -4.283 30.632 6.002 1120 HZ2 LYS 149 2HZ LYS 149 -5.925 30.539 6.395 1121 HZ3 LYS 149 3HZ LYS 149 -5.396 30.070 4.858 Start of MODEL 2 1 H1 MET 1 H MET 1 0.124 0.535 -2.376 2 HA MET 1 HA MET 1 1.423 -0.855 -4.339 3 HB2 MET 1 2HB MET 1 -1.204 0.101 -5.230 4 HB3 MET 1 3HB MET 1 0.121 0.579 -6.282 5 HG2 MET 1 2HG MET 1 0.555 -2.120 -5.706 6 HG3 MET 1 3HG MET 1 -1.173 -1.966 -6.013 7 HE1 MET 1 1HE MET 1 2.310 -0.894 -8.676 8 HE2 MET 1 2HE MET 1 2.292 -1.404 -6.988 9 HE3 MET 1 3HE MET 1 2.178 -2.606 -8.274 10 H ALA 2 H ALA 2 -0.180 2.336 -4.376 11 HA ALA 2 HA ALA 2 2.480 3.581 -4.235 12 HB1 ALA 2 1HB ALA 2 1.716 3.597 -6.573 13 HB2 ALA 2 2HB ALA 2 0.268 4.476 -6.079 14 HB3 ALA 2 3HB ALA 2 1.856 5.223 -5.903 15 H ALA 3 H ALA 3 2.626 5.377 -2.974 16 HA ALA 3 HA ALA 3 0.204 6.117 -1.486 17 HB1 ALA 3 1HB ALA 3 2.848 7.069 -0.570 18 HB2 ALA 3 2HB ALA 3 1.479 6.450 0.354 19 HB3 ALA 3 3HB ALA 3 2.556 5.332 -0.482 20 H LEU 4 H LEU 4 -0.345 8.289 -1.148 21 HA LEU 4 HA LEU 4 -0.096 10.003 -3.316 22 HB2 LEU 4 2HB LEU 4 -0.916 11.770 -1.767 23 HB3 LEU 4 3HB LEU 4 -1.882 10.296 -1.776 24 HG LEU 4 HG LEU 4 -0.081 9.925 0.307 25 HD11 LEU 4 1HD1 LEU 4 -0.547 11.991 1.683 26 HD12 LEU 4 2HD1 LEU 4 -1.013 12.780 0.176 27 HD13 LEU 4 3HD1 LEU 4 0.630 12.175 0.383 28 HD21 LEU 4 1HD2 LEU 4 -2.132 10.349 1.711 29 HD22 LEU 4 2HD2 LEU 4 -2.321 9.163 0.419 30 HD23 LEU 4 3HD2 LEU 4 -2.960 10.795 0.219 31 H THR 5 H THR 5 1.817 9.814 -0.359 32 HA THR 5 HA THR 5 3.280 12.146 -0.521 33 HB THR 5 HB THR 5 5.156 10.819 0.572 34 HG1 THR 5 HG1 THR 5 4.746 8.690 1.062 35 HG21 THR 5 1HG2 THR 5 2.382 10.656 1.755 36 HG22 THR 5 2HG2 THR 5 3.500 12.012 1.894 37 HG23 THR 5 3HG2 THR 5 3.885 10.470 2.657 38 H ASP 6 H ASP 6 3.905 9.052 -2.136 39 HA ASP 6 HA ASP 6 6.351 9.694 -3.315 40 HB2 ASP 6 2HB ASP 6 4.212 7.943 -4.541 41 HB3 ASP 6 3HB ASP 6 5.948 7.863 -4.829 42 H GLU 7 H GLU 7 3.051 10.118 -4.560 43 HA GLU 7 HA GLU 7 3.783 11.190 -7.057 44 HB2 GLU 7 2HB GLU 7 1.490 10.324 -6.259 45 HB3 GLU 7 3HB GLU 7 1.260 11.937 -5.599 46 HG2 GLU 7 2HG GLU 7 2.123 12.325 -8.225 47 HG3 GLU 7 3HG GLU 7 0.959 11.003 -8.297 48 H GLN 8 H GLN 8 3.328 12.651 -3.901 49 HA GLN 8 HA GLN 8 3.279 15.347 -4.722 50 HB2 GLN 8 2HB GLN 8 3.221 13.923 -2.276 51 HB3 GLN 8 3HB GLN 8 4.535 15.087 -2.158 52 HG2 GLN 8 2HG GLN 8 3.087 16.909 -2.530 53 HG3 GLN 8 3HG GLN 8 1.774 15.854 -3.050 54 HE21 GLN 8 1HE2 GLN 8 0.270 15.437 -1.607 55 HE22 GLN 8 2HE2 GLN 8 0.439 15.565 0.107 56 H ILE 9 H ILE 9 5.964 13.421 -3.377 57 HA ILE 9 HA ILE 9 7.945 15.374 -3.753 58 HB ILE 9 HB ILE 9 9.567 13.490 -3.590 59 HG12 ILE 9 2HG1 ILE 9 7.055 11.808 -3.451 60 HG13 ILE 9 3HG1 ILE 9 8.239 11.786 -4.754 61 HG21 ILE 9 1HG2 ILE 9 9.309 13.337 -1.336 62 HG22 ILE 9 2HG2 ILE 9 8.155 14.632 -1.652 63 HG23 ILE 9 3HG2 ILE 9 7.587 12.976 -1.445 64 HD11 ILE 9 1HD1 ILE 9 8.782 9.925 -3.493 65 HD12 ILE 9 2HD1 ILE 9 9.918 11.144 -2.915 66 HD13 ILE 9 3HD1 ILE 9 8.487 10.751 -1.963 67 H ARG 10 H ARG 10 6.644 12.920 -5.891 68 HA ARG 10 HA ARG 10 8.645 13.013 -7.872 69 HB2 ARG 10 2HB ARG 10 7.070 11.193 -7.842 70 HB3 ARG 10 3HB ARG 10 5.716 12.298 -8.033 71 HG2 ARG 10 2HG ARG 10 6.175 11.166 -10.115 72 HG3 ARG 10 3HG ARG 10 6.528 12.888 -10.271 73 HD2 ARG 10 2HD ARG 10 8.934 12.321 -9.779 74 HD3 ARG 10 3HD ARG 10 8.484 10.623 -9.937 75 HE ARG 10 HE ARG 10 7.600 11.887 -12.232 76 HH11 ARG 10 1HH1 ARG 10 10.637 11.308 -10.632 77 HH12 ARG 10 2HH1 ARG 10 11.556 11.292 -12.100 78 HH21 ARG 10 1HH2 ARG 10 8.799 11.868 -14.172 79 HH22 ARG 10 2HH2 ARG 10 10.510 11.611 -14.113 80 H GLU 11 H GLU 11 5.469 14.630 -7.736 81 HA GLU 11 HA GLU 11 5.811 16.143 -10.079 82 HB2 GLU 11 2HB GLU 11 3.881 15.947 -7.941 83 HB3 GLU 11 3HB GLU 11 4.155 17.631 -8.365 84 HG2 GLU 11 2HG GLU 11 3.679 15.647 -10.533 85 HG3 GLU 11 3HG GLU 11 2.318 16.228 -9.575 86 H ALA 12 H ALA 12 6.651 16.777 -6.721 87 HA ALA 12 HA ALA 12 7.286 19.501 -6.961 88 HB1 ALA 12 1HB ALA 12 8.823 17.756 -5.097 89 HB2 ALA 12 2HB ALA 12 8.131 19.357 -4.832 90 HB3 ALA 12 3HB ALA 12 7.084 17.938 -4.866 91 H PHE 13 H PHE 13 9.459 16.670 -7.022 92 HA PHE 13 HA PHE 13 11.797 18.079 -7.635 93 HB2 PHE 13 2HB PHE 13 11.932 15.812 -6.834 94 HB3 PHE 13 3HB PHE 13 11.013 15.218 -8.213 95 HD1 PHE 13 HD1 PHE 13 12.303 13.964 -9.624 96 HD2 PHE 13 HD2 PHE 13 14.004 17.418 -7.810 97 HE1 PHE 13 HE1 PHE 13 14.399 13.573 -10.852 98 HE2 PHE 13 HE2 PHE 13 16.102 17.033 -9.035 99 HZ PHE 13 HZ PHE 13 16.301 15.109 -10.560 100 H ASN 14 H ASN 14 9.287 16.737 -9.703 101 HA ASN 14 HA ASN 14 10.613 17.037 -12.167 102 HB2 ASN 14 2HB ASN 14 8.514 15.706 -11.757 103 HB3 ASN 14 3HB ASN 14 7.631 17.229 -11.706 104 HD21 ASN 14 1HD2 ASN 14 7.676 18.566 -13.619 105 HD22 ASN 14 2HD2 ASN 14 7.819 17.821 -15.172 106 H LEU 15 H LEU 15 8.472 19.211 -10.365 107 HA LEU 15 HA LEU 15 8.383 21.255 -12.308 108 HB2 LEU 15 2HB LEU 15 7.247 20.778 -9.816 109 HB3 LEU 15 3HB LEU 15 8.210 22.237 -9.590 110 HG LEU 15 HG LEU 15 5.968 22.879 -10.120 111 HD11 LEU 15 1HD1 LEU 15 7.828 24.172 -11.129 112 HD12 LEU 15 2HD1 LEU 15 6.326 24.261 -12.048 113 HD13 LEU 15 3HD1 LEU 15 7.639 23.223 -12.604 114 HD21 LEU 15 1HD2 LEU 15 6.028 20.577 -11.779 115 HD22 LEU 15 2HD2 LEU 15 5.650 21.971 -12.790 116 HD23 LEU 15 3HD2 LEU 15 4.656 21.610 -11.378 117 H PHE 16 H PHE 16 10.404 20.842 -9.413 118 HA PHE 16 HA PHE 16 11.861 23.211 -9.623 119 HB2 PHE 16 2HB PHE 16 12.585 20.522 -8.461 120 HB3 PHE 16 3HB PHE 16 13.640 21.925 -8.337 121 HD1 PHE 16 HD1 PHE 16 11.765 20.097 -6.353 122 HD2 PHE 16 HD2 PHE 16 11.811 24.102 -7.793 123 HE1 PHE 16 HE1 PHE 16 10.544 20.829 -4.346 124 HE2 PHE 16 HE2 PHE 16 10.592 24.841 -5.788 125 HZ PHE 16 HZ PHE 16 9.957 23.204 -4.061 126 H ASP 17 H ASP 17 12.466 20.024 -11.038 127 HA ASP 17 HA ASP 17 14.939 20.763 -12.251 128 HB2 ASP 17 2HB ASP 17 14.304 18.415 -11.704 129 HB3 ASP 17 3HB ASP 17 13.097 18.479 -12.985 130 H ALA 18 H ALA 18 11.604 21.036 -13.144 131 HA ALA 18 HA ALA 18 11.768 21.190 -15.915 132 HB1 ALA 18 1HB ALA 18 9.929 23.069 -14.551 133 HB2 ALA 18 2HB ALA 18 9.621 21.926 -15.859 134 HB3 ALA 18 3HB ALA 18 9.743 21.352 -14.197 135 H ASP 19 H ASP 19 12.726 23.479 -13.480 136 HA ASP 19 HA ASP 19 12.746 25.858 -14.897 137 HB2 ASP 19 2HB ASP 19 14.359 24.766 -12.637 138 HB3 ASP 19 3HB ASP 19 14.916 26.247 -13.413 139 H GLY 20 H GLY 20 14.904 23.120 -15.110 140 HA2 GLY 20 2HA GLY 20 16.320 22.592 -16.880 141 HA3 GLY 20 3HA GLY 20 16.030 24.189 -17.554 142 H SER 21 H SER 21 17.031 23.768 -14.243 143 HA SER 21 HA SER 21 19.629 24.960 -14.946 144 HB2 SER 21 2HB SER 21 17.691 25.832 -13.132 145 HB3 SER 21 3HB SER 21 18.951 25.116 -12.126 146 HG SER 21 HG SER 21 19.750 27.075 -12.414 147 H GLY 22 H GLY 22 21.504 24.283 -13.767 148 HA2 GLY 22 2HA GLY 22 21.696 21.476 -13.480 149 HA3 GLY 22 3HA GLY 22 22.928 22.642 -13.021 150 H ALA 23 H ALA 23 20.926 23.996 -11.226 151 HA ALA 23 HA ALA 23 20.418 22.009 -9.176 152 HB1 ALA 23 1HB ALA 23 22.063 22.503 -7.751 153 HB2 ALA 23 2HB ALA 23 22.861 23.266 -9.127 154 HB3 ALA 23 3HB ALA 23 21.893 24.238 -8.019 155 H ILE 24 H ILE 24 19.358 23.022 -7.239 156 HA ILE 24 HA ILE 24 17.733 25.332 -8.084 157 HB ILE 24 HB ILE 24 16.903 23.154 -6.165 158 HG12 ILE 24 2HG1 ILE 24 15.304 23.116 -8.487 159 HG13 ILE 24 3HG1 ILE 24 16.972 23.187 -9.046 160 HG21 ILE 24 1HG2 ILE 24 15.431 25.471 -7.403 161 HG22 ILE 24 2HG2 ILE 24 14.636 24.139 -6.566 162 HG23 ILE 24 3HG2 ILE 24 15.753 25.187 -5.692 163 HD11 ILE 24 1HD1 ILE 24 17.284 21.052 -8.565 164 HD12 ILE 24 2HD1 ILE 24 16.694 21.276 -6.917 165 HD13 ILE 24 3HD1 ILE 24 15.557 20.940 -8.223 166 H ASP 25 H ASP 25 17.851 27.107 -6.881 167 HA ASP 25 HA ASP 25 19.320 26.999 -4.358 168 HB2 ASP 25 2HB ASP 25 18.771 29.074 -6.397 169 HB3 ASP 25 3HB ASP 25 18.851 29.636 -4.729 170 H ALA 26 H ALA 26 18.459 28.871 -2.793 171 HA ALA 26 HA ALA 26 16.002 27.908 -1.760 172 HB1 ALA 26 1HB ALA 26 17.993 29.937 -1.000 173 HB2 ALA 26 2HB ALA 26 16.352 30.224 -0.417 174 HB3 ALA 26 3HB ALA 26 17.179 28.718 -0.019 175 H GLU 27 H GLU 27 16.899 30.847 -3.520 176 HA GLU 27 HA GLU 27 14.472 32.205 -3.338 177 HB2 GLU 27 2HB GLU 27 15.189 33.353 -5.436 178 HB3 GLU 27 3HB GLU 27 16.417 33.331 -4.179 179 HG2 GLU 27 2HG GLU 27 17.459 31.382 -5.321 180 HG3 GLU 27 3HG GLU 27 16.300 31.596 -6.632 181 H GLU 28 H GLU 28 15.571 29.812 -5.709 182 HA GLU 28 HA GLU 28 13.306 29.942 -7.382 183 HB2 GLU 28 2HB GLU 28 15.727 28.550 -7.357 184 HB3 GLU 28 3HB GLU 28 14.494 27.298 -7.286 185 HG2 GLU 28 2HG GLU 28 14.464 27.472 -9.505 186 HG3 GLU 28 3HG GLU 28 13.507 28.926 -9.229 187 H MET 29 H MET 29 14.124 27.764 -4.695 188 HA MET 29 HA MET 29 11.896 26.111 -4.797 189 HB2 MET 29 2HB MET 29 13.784 25.609 -3.365 190 HB3 MET 29 3HB MET 29 13.479 27.046 -2.399 191 HG2 MET 29 2HG MET 29 12.094 25.932 -1.090 192 HG3 MET 29 3HG MET 29 11.122 25.434 -2.473 193 HE1 MET 29 1HE MET 29 14.070 23.912 0.087 194 HE2 MET 29 2HE MET 29 14.963 23.302 -1.306 195 HE3 MET 29 3HE MET 29 14.593 25.022 -1.180 196 H ALA 30 H ALA 30 12.326 29.173 -3.048 197 HA ALA 30 HA ALA 30 9.783 29.219 -1.841 198 HB1 ALA 30 1HB ALA 30 10.683 31.877 -2.374 199 HB2 ALA 30 2HB ALA 30 10.654 30.999 -0.845 200 HB3 ALA 30 3HB ALA 30 12.059 30.879 -1.905 201 H LEU 31 H LEU 31 10.971 30.683 -4.854 202 HA LEU 31 HA LEU 31 8.690 32.049 -5.619 203 HB2 LEU 31 2HB LEU 31 11.144 31.446 -6.751 204 HB3 LEU 31 3HB LEU 31 9.979 30.729 -7.861 205 HG LEU 31 HG LEU 31 10.531 32.923 -8.640 206 HD11 LEU 31 1HD1 LEU 31 7.977 32.049 -8.194 207 HD12 LEU 31 2HD1 LEU 31 8.427 33.437 -9.183 208 HD13 LEU 31 3HD1 LEU 31 7.951 33.671 -7.501 209 HD21 LEU 31 1HD2 LEU 31 10.978 33.575 -6.052 210 HD22 LEU 31 2HD2 LEU 31 9.430 34.372 -6.331 211 HD23 LEU 31 3HD2 LEU 31 10.814 34.748 -7.358 212 H ALA 32 H ALA 32 9.555 28.665 -6.255 213 HA ALA 32 HA ALA 32 7.271 28.034 -7.784 214 HB1 ALA 32 1HB ALA 32 8.864 26.438 -8.072 215 HB2 ALA 32 2HB ALA 32 9.380 26.488 -6.385 216 HB3 ALA 32 3HB ALA 32 7.900 25.638 -6.830 217 H MET 33 H MET 33 7.990 27.521 -4.333 218 HA MET 33 HA MET 33 5.651 26.264 -3.575 219 HB2 MET 33 2HB MET 33 7.463 28.158 -2.095 220 HB3 MET 33 3HB MET 33 6.068 27.418 -1.320 221 HG2 MET 33 2HG MET 33 7.203 25.224 -2.327 222 HG3 MET 33 3HG MET 33 8.640 26.227 -2.145 223 HE1 MET 33 1HE MET 33 9.370 27.307 0.319 224 HE2 MET 33 2HE MET 33 7.763 28.032 0.261 225 HE3 MET 33 3HE MET 33 8.290 27.169 1.707 226 H LYS 34 H LYS 34 6.278 29.702 -4.033 227 HA LYS 34 HA LYS 34 3.760 30.576 -3.018 228 HB2 LYS 34 2HB LYS 34 5.670 32.082 -3.071 229 HB3 LYS 34 3HB LYS 34 5.757 31.954 -4.823 230 HG2 LYS 34 2HG LYS 34 3.147 32.825 -3.866 231 HG3 LYS 34 3HG LYS 34 4.461 33.914 -3.416 232 HD2 LYS 34 2HD LYS 34 4.645 34.674 -5.504 233 HD3 LYS 34 3HD LYS 34 4.718 33.037 -6.159 234 HE2 LYS 34 2HE LYS 34 2.227 32.934 -5.942 235 HE3 LYS 34 3HE LYS 34 2.251 34.642 -5.508 236 HZ1 LYS 34 1HZ LYS 34 1.842 34.643 -7.777 237 HZ2 LYS 34 2HZ LYS 34 2.934 33.389 -8.092 238 HZ3 LYS 34 3HZ LYS 34 3.508 34.931 -7.698 239 H GLY 35 H GLY 35 5.045 30.048 -6.290 240 HA2 GLY 35 2HA GLY 35 2.822 30.904 -7.742 241 HA3 GLY 35 3HA GLY 35 3.980 29.702 -8.293 242 H LEU 36 H LEU 36 3.437 27.822 -6.162 243 HA LEU 36 HA LEU 36 1.142 26.544 -7.337 244 HB2 LEU 36 2HB LEU 36 2.840 25.702 -4.993 245 HB3 LEU 36 3HB LEU 36 1.665 24.694 -5.836 246 HG LEU 36 HG LEU 36 4.121 25.833 -7.159 247 HD11 LEU 36 1HD1 LEU 36 4.938 24.425 -5.431 248 HD12 LEU 36 2HD1 LEU 36 5.006 23.497 -6.929 249 HD13 LEU 36 3HD1 LEU 36 3.716 23.197 -5.764 250 HD21 LEU 36 1HD2 LEU 36 2.458 23.465 -7.970 251 HD22 LEU 36 2HD2 LEU 36 3.651 24.348 -8.923 252 HD23 LEU 36 3HD2 LEU 36 2.106 25.102 -8.523 253 H GLY 37 H GLY 37 1.810 28.430 -4.508 254 HA2 GLY 37 2HA GLY 37 0.392 29.313 -2.928 255 HA3 GLY 37 3HA GLY 37 -0.949 28.739 -3.909 256 H PHE 38 H PHE 38 1.400 26.426 -2.916 257 HA PHE 38 HA PHE 38 -0.289 25.570 -0.674 258 HB2 PHE 38 2HB PHE 38 0.134 24.167 -3.198 259 HB3 PHE 38 3HB PHE 38 0.562 23.186 -1.800 260 HD1 PHE 38 HD1 PHE 38 -2.060 24.262 -3.894 261 HD2 PHE 38 HD2 PHE 38 -1.200 23.107 0.111 262 HE1 PHE 38 HE1 PHE 38 -4.439 23.751 -3.534 263 HE2 PHE 38 HE2 PHE 38 -3.578 22.593 0.477 264 HZ PHE 38 HZ PHE 38 -5.201 22.913 -1.347 265 H GLY 39 H GLY 39 0.782 24.609 1.021 266 HA2 GLY 39 2HA GLY 39 2.548 23.997 2.356 267 HA3 GLY 39 3HA GLY 39 3.425 23.604 0.885 268 H ASP 40 H ASP 40 2.137 26.716 2.006 269 HA ASP 40 HA ASP 40 4.646 28.001 1.400 270 HB2 ASP 40 2HB ASP 40 2.188 28.921 1.175 271 HB3 ASP 40 3HB ASP 40 2.429 29.385 2.858 272 H LEU 41 H LEU 41 6.297 27.838 2.764 273 HA LEU 41 HA LEU 41 5.745 27.886 5.656 274 HB2 LEU 41 2HB LEU 41 7.844 26.547 4.010 275 HB3 LEU 41 3HB LEU 41 8.197 26.976 5.682 276 HG LEU 41 HG LEU 41 7.507 24.636 5.451 277 HD11 LEU 41 1HD1 LEU 41 7.054 25.826 7.532 278 HD12 LEU 41 2HD1 LEU 41 5.799 24.635 7.191 279 HD13 LEU 41 3HD1 LEU 41 5.492 26.347 6.901 280 HD21 LEU 41 1HD2 LEU 41 5.340 24.000 4.726 281 HD22 LEU 41 2HD2 LEU 41 5.994 25.072 3.487 282 HD23 LEU 41 3HD2 LEU 41 4.802 25.678 4.638 283 HA PRO 42 HA PRO 42 7.936 31.653 6.165 284 HB2 PRO 42 2HB PRO 42 9.240 31.246 8.511 285 HB3 PRO 42 3HB PRO 42 7.493 31.492 8.414 286 HG2 PRO 42 2HG PRO 42 9.035 28.939 8.668 287 HG3 PRO 42 3HG PRO 42 7.553 29.439 9.504 288 HD2 PRO 42 2HD PRO 42 7.532 27.760 7.380 289 HD3 PRO 42 3HD PRO 42 6.209 28.897 7.712 290 H ARG 43 H ARG 43 10.110 32.623 6.459 291 HA ARG 43 HA ARG 43 11.992 31.477 4.726 292 HB2 ARG 43 2HB ARG 43 13.496 33.268 5.458 293 HB3 ARG 43 3HB ARG 43 11.878 33.883 5.149 294 HG2 ARG 43 2HG ARG 43 12.176 34.916 7.117 295 HG3 ARG 43 3HG ARG 43 11.693 33.355 7.784 296 HD2 ARG 43 2HD ARG 43 14.223 32.798 7.637 297 HD3 ARG 43 3HD ARG 43 14.427 34.546 7.536 298 HE ARG 43 HE ARG 43 13.809 33.035 9.865 299 HH11 ARG 43 1HH1 ARG 43 13.240 36.093 8.301 300 HH12 ARG 43 2HH1 ARG 43 12.951 36.944 9.782 301 HH21 ARG 43 1HH2 ARG 43 13.431 34.144 11.821 302 HH22 ARG 43 2HH2 ARG 43 13.061 35.835 11.784 303 H ASP 44 H ASP 44 11.737 31.453 8.241 304 HA ASP 44 HA ASP 44 14.245 30.398 8.861 305 HB2 ASP 44 2HB ASP 44 13.316 29.785 10.988 306 HB3 ASP 44 3HB ASP 44 12.574 31.306 10.498 307 H GLU 45 H GLU 45 11.259 28.804 7.878 308 HA GLU 45 HA GLU 45 12.123 26.154 8.362 309 HB2 GLU 45 2HB GLU 45 9.736 27.123 7.875 310 HB3 GLU 45 3HB GLU 45 10.162 26.814 6.197 311 HG2 GLU 45 2HG GLU 45 10.522 24.636 8.190 312 HG3 GLU 45 3HG GLU 45 8.896 25.025 7.630 313 H VAL 46 H VAL 46 12.428 28.326 5.623 314 HA VAL 46 HA VAL 46 13.332 26.385 3.756 315 HB VAL 46 HB VAL 46 13.852 29.361 3.751 316 HG11 VAL 46 1HG1 VAL 46 14.555 27.195 1.939 317 HG12 VAL 46 2HG1 VAL 46 13.658 28.491 1.146 318 HG13 VAL 46 3HG1 VAL 46 15.153 28.852 2.009 319 HG21 VAL 46 1HG2 VAL 46 11.442 28.715 3.892 320 HG22 VAL 46 2HG2 VAL 46 11.872 29.603 2.430 321 HG23 VAL 46 3HG2 VAL 46 11.639 27.856 2.365 322 H GLU 47 H GLU 47 15.060 28.807 5.716 323 HA GLU 47 HA GLU 47 17.648 28.089 4.898 324 HB2 GLU 47 2HB GLU 47 18.391 29.245 6.976 325 HB3 GLU 47 3HB GLU 47 17.275 30.192 6.002 326 HG2 GLU 47 2HG GLU 47 15.441 29.535 7.499 327 HG3 GLU 47 3HG GLU 47 16.594 28.645 8.492 328 H ARG 48 H ARG 48 15.625 26.940 7.556 329 HA ARG 48 HA ARG 48 17.583 25.332 8.801 330 HB2 ARG 48 2HB ARG 48 15.217 26.110 9.618 331 HB3 ARG 48 3HB ARG 48 14.676 24.616 8.864 332 HG2 ARG 48 2HG ARG 48 16.393 23.422 10.270 333 HG3 ARG 48 3HG ARG 48 16.605 24.941 11.143 334 HD2 ARG 48 2HD ARG 48 13.954 24.777 11.273 335 HD3 ARG 48 3HD ARG 48 14.313 23.057 11.122 336 HE ARG 48 HE ARG 48 14.703 24.680 13.421 337 HH11 ARG 48 1HH1 ARG 48 16.050 21.996 11.659 338 HH12 ARG 48 2HH1 ARG 48 16.800 21.289 13.052 339 HH21 ARG 48 1HH2 ARG 48 15.686 23.759 15.262 340 HH22 ARG 48 2HH2 ARG 48 16.591 22.292 15.101 341 H THR 49 H THR 49 15.043 24.559 6.438 342 HA THR 49 HA THR 49 15.548 21.814 6.240 343 HB THR 49 HB THR 49 14.544 22.065 3.899 344 HG1 THR 49 HG1 THR 49 14.743 24.110 3.279 345 HG21 THR 49 1HG2 THR 49 13.336 22.478 6.519 346 HG22 THR 49 2HG2 THR 49 12.810 21.456 5.180 347 HG23 THR 49 3HG2 THR 49 12.378 23.165 5.208 348 H VAL 50 H VAL 50 16.916 24.548 4.453 349 HA VAL 50 HA VAL 50 18.445 23.012 2.638 350 HB VAL 50 HB VAL 50 18.928 25.831 3.613 351 HG11 VAL 50 1HG1 VAL 50 20.088 24.257 1.329 352 HG12 VAL 50 2HG1 VAL 50 20.113 26.021 1.380 353 HG13 VAL 50 3HG1 VAL 50 20.940 25.089 2.629 354 HG21 VAL 50 1HG2 VAL 50 16.812 24.810 2.114 355 HG22 VAL 50 2HG2 VAL 50 17.269 26.504 2.290 356 HG23 VAL 50 3HG2 VAL 50 17.889 25.560 0.935 357 H ARG 51 H ARG 51 19.166 24.403 5.807 358 HA ARG 51 HA ARG 51 21.919 23.811 5.837 359 HB2 ARG 51 2HB ARG 51 20.965 25.385 7.412 360 HB3 ARG 51 3HB ARG 51 19.952 24.128 8.109 361 HG2 ARG 51 2HG ARG 51 22.874 23.664 8.128 362 HG3 ARG 51 3HG ARG 51 22.242 24.909 9.208 363 HD2 ARG 51 2HD ARG 51 20.643 22.491 9.271 364 HD3 ARG 51 3HD ARG 51 22.326 22.181 9.692 365 HE ARG 51 HE ARG 51 20.393 23.517 11.287 366 HH11 ARG 51 1HH1 ARG 51 23.777 23.499 10.469 367 HH12 ARG 51 2HH1 ARG 51 24.279 24.182 11.980 368 HH21 ARG 51 1HH2 ARG 51 21.042 24.416 13.280 369 HH22 ARG 51 2HH2 ARG 51 22.723 24.702 13.579 370 H SER 52 H SER 52 19.098 21.988 6.968 371 HA SER 52 HA SER 52 20.550 19.836 8.087 372 HB2 SER 52 2HB SER 52 17.790 19.524 6.937 373 HB3 SER 52 3HB SER 52 18.482 18.770 8.373 374 HG SER 52 HG SER 52 17.203 20.358 9.147 375 H MET 53 H MET 53 19.042 20.299 4.907 376 HA MET 53 HA MET 53 19.668 17.753 3.879 377 HB2 MET 53 2HB MET 53 19.058 20.398 2.577 378 HB3 MET 53 3HB MET 53 19.420 18.963 1.627 379 HG2 MET 53 2HG MET 53 17.544 17.814 2.831 380 HG3 MET 53 3HG MET 53 17.124 19.382 3.517 381 HE1 MET 53 1HE MET 53 15.623 21.177 2.209 382 HE2 MET 53 2HE MET 53 17.276 21.506 1.689 383 HE3 MET 53 3HE MET 53 15.971 21.455 0.503 384 H ASN 54 H ASN 54 21.190 20.863 3.006 385 HA ASN 54 HA ASN 54 23.562 19.447 2.106 386 HB2 ASN 54 2HB ASN 54 22.299 21.688 1.186 387 HB3 ASN 54 3HB ASN 54 23.613 22.392 2.124 388 HD21 ASN 54 1HD2 ASN 54 24.884 23.114 0.518 389 HD22 ASN 54 2HD2 ASN 54 25.620 22.105 -0.675 390 H THR 55 H THR 55 24.788 18.766 3.772 391 HA THR 55 HA THR 55 25.081 19.902 6.271 392 HB THR 55 HB THR 55 25.918 17.668 5.764 393 HG1 THR 55 HG1 THR 55 26.884 18.573 7.550 394 HG21 THR 55 1HG2 THR 55 27.019 18.769 3.528 395 HG22 THR 55 2HG2 THR 55 27.440 17.183 4.175 396 HG23 THR 55 3HG2 THR 55 28.435 18.585 4.562 397 H ASN 56 H ASN 56 26.732 20.691 3.273 398 HA ASN 56 HA ASN 56 28.161 22.848 4.682 399 HB2 ASN 56 2HB ASN 56 28.900 21.279 2.211 400 HB3 ASN 56 3HB ASN 56 29.699 22.786 2.650 401 HD21 ASN 56 1HD2 ASN 56 30.922 20.234 2.410 402 HD22 ASN 56 2HD2 ASN 56 31.551 19.811 3.962 403 H ALA 57 H ALA 57 26.833 24.570 4.490 404 HA ALA 57 HA ALA 57 25.151 25.134 2.318 405 HB1 ALA 57 1HB ALA 57 25.467 27.574 3.324 406 HB2 ALA 57 2HB ALA 57 24.506 26.336 4.135 407 HB3 ALA 57 3HB ALA 57 26.162 26.649 4.656 408 H ASN 58 H ASN 58 26.136 25.065 0.337 409 HA ASN 58 HA ASN 58 28.244 27.067 -0.146 410 HB2 ASN 58 2HB ASN 58 28.237 24.279 -0.687 411 HB3 ASN 58 3HB ASN 58 28.167 25.113 -2.236 412 HD21 ASN 58 1HD2 ASN 58 30.019 25.730 -3.079 413 HD22 ASN 58 2HD2 ASN 58 31.506 25.935 -2.223 414 H GLY 59 H GLY 59 25.123 26.894 -0.391 415 HA2 GLY 59 2HA GLY 59 23.633 28.113 -1.669 416 HA3 GLY 59 3HA GLY 59 24.981 28.629 -2.673 417 H LEU 60 H LEU 60 24.591 25.247 -2.188 418 HA LEU 60 HA LEU 60 23.121 24.949 -4.702 419 HB2 LEU 60 2HB LEU 60 25.698 24.872 -4.947 420 HB3 LEU 60 3HB LEU 60 25.558 23.287 -4.190 421 HG LEU 60 HG LEU 60 23.704 23.394 -6.339 422 HD11 LEU 60 1HD1 LEU 60 25.204 25.256 -7.124 423 HD12 LEU 60 2HD1 LEU 60 25.048 23.887 -8.225 424 HD13 LEU 60 3HD1 LEU 60 26.497 24.061 -7.234 425 HD21 LEU 60 1HD2 LEU 60 24.648 21.353 -5.538 426 HD22 LEU 60 2HD2 LEU 60 26.287 21.915 -5.870 427 HD23 LEU 60 3HD2 LEU 60 25.183 21.574 -7.204 428 H ILE 61 H ILE 61 21.822 23.169 -4.805 429 HA ILE 61 HA ILE 61 21.834 21.403 -2.444 430 HB ILE 61 HB ILE 61 19.453 22.250 -4.098 431 HG12 ILE 61 2HG1 ILE 61 19.998 22.880 -1.199 432 HG13 ILE 61 3HG1 ILE 61 20.500 23.952 -2.503 433 HG21 ILE 61 1HG2 ILE 61 19.752 20.359 -1.784 434 HG22 ILE 61 2HG2 ILE 61 18.210 21.112 -2.188 435 HG23 ILE 61 3HG2 ILE 61 19.012 20.065 -3.358 436 HD11 ILE 61 1HD1 ILE 61 18.510 24.906 -2.100 437 HD12 ILE 61 2HD1 ILE 61 17.912 23.612 -3.140 438 HD13 ILE 61 3HD1 ILE 61 17.831 23.443 -1.386 439 H GLU 62 H GLU 62 21.982 19.271 -2.780 440 HA GLU 62 HA GLU 62 22.238 18.323 -5.513 441 HB2 GLU 62 2HB GLU 62 22.621 16.848 -2.901 442 HB3 GLU 62 3HB GLU 62 23.047 16.246 -4.497 443 HG2 GLU 62 2HG GLU 62 24.460 18.490 -4.544 444 HG3 GLU 62 3HG GLU 62 24.404 18.253 -2.799 445 H TYR 63 H TYR 63 20.923 16.856 -6.509 446 HA TYR 63 HA TYR 63 18.217 16.748 -5.726 447 HB2 TYR 63 2HB TYR 63 17.934 15.196 -7.606 448 HB3 TYR 63 3HB TYR 63 18.917 16.580 -8.069 449 HD1 TYR 63 HD1 TYR 63 21.287 16.319 -8.554 450 HD2 TYR 63 HD2 TYR 63 18.900 12.974 -7.450 451 HE1 TYR 63 HE1 TYR 63 23.056 14.803 -9.343 452 HE2 TYR 63 HE2 TYR 63 20.662 11.449 -8.236 453 HH TYR 63 HH TYR 63 23.810 12.600 -9.159 454 H GLY 64 H GLY 64 20.900 14.499 -5.351 455 HA2 GLY 64 2HA GLY 64 19.406 12.263 -4.498 456 HA3 GLY 64 3HA GLY 64 21.106 12.548 -4.159 457 H GLU 65 H GLU 65 21.146 14.716 -2.584 458 HA GLU 65 HA GLU 65 20.303 13.693 -0.083 459 HB2 GLU 65 2HB GLU 65 21.370 16.395 -0.899 460 HB3 GLU 65 3HB GLU 65 21.025 15.961 0.769 461 HG2 GLU 65 2HG GLU 65 23.023 14.641 -1.052 462 HG3 GLU 65 3HG GLU 65 23.375 15.701 0.312 463 H PHE 66 H PHE 66 18.909 15.949 -2.348 464 HA PHE 66 HA PHE 66 17.033 17.158 -0.620 465 HB2 PHE 66 2HB PHE 66 17.622 18.095 -2.817 466 HB3 PHE 66 3HB PHE 66 16.864 16.718 -3.609 467 HD1 PHE 66 HD1 PHE 66 14.446 16.482 -3.653 468 HD2 PHE 66 HD2 PHE 66 16.308 19.855 -1.844 469 HE1 PHE 66 HE1 PHE 66 12.293 17.673 -3.665 470 HE2 PHE 66 HE2 PHE 66 14.158 21.051 -1.852 471 HZ PHE 66 HZ PHE 66 12.146 19.960 -2.762 472 H GLU 67 H GLU 67 16.550 14.588 -3.050 473 HA GLU 67 HA GLU 67 13.917 13.977 -2.269 474 HB2 GLU 67 2HB GLU 67 14.183 11.941 -3.594 475 HB3 GLU 67 3HB GLU 67 14.839 13.331 -4.446 476 HG2 GLU 67 2HG GLU 67 17.100 12.622 -3.491 477 HG3 GLU 67 3HG GLU 67 16.311 11.093 -3.109 478 H ARG 68 H ARG 68 17.041 12.705 -1.251 479 HA ARG 68 HA ARG 68 16.128 10.509 0.232 480 HB2 ARG 68 2HB ARG 68 18.483 10.824 -0.356 481 HB3 ARG 68 3HB ARG 68 18.567 12.236 0.689 482 HG2 ARG 68 2HG ARG 68 17.897 10.652 2.579 483 HG3 ARG 68 3HG ARG 68 18.304 9.353 1.455 484 HD2 ARG 68 2HD ARG 68 20.335 11.446 1.615 485 HD3 ARG 68 3HD ARG 68 20.056 10.617 3.146 486 HE ARG 68 HE ARG 68 21.328 9.549 0.818 487 HH11 ARG 68 1HH1 ARG 68 19.438 8.738 3.627 488 HH12 ARG 68 2HH1 ARG 68 20.009 7.103 3.700 489 HH21 ARG 68 1HH2 ARG 68 22.087 7.400 0.904 490 HH22 ARG 68 2HH2 ARG 68 21.517 6.344 2.151 491 H MET 69 H MET 69 16.706 13.875 1.192 492 HA MET 69 HA MET 69 16.065 13.510 3.925 493 HB2 MET 69 2HB MET 69 17.352 15.439 3.025 494 HB3 MET 69 3HB MET 69 15.876 16.043 2.284 495 HG2 MET 69 2HG MET 69 16.228 17.249 4.297 496 HG3 MET 69 3HG MET 69 14.864 16.162 4.552 497 HE1 MET 69 1HE MET 69 18.079 17.415 5.271 498 HE2 MET 69 2HE MET 69 18.248 16.989 6.974 499 HE3 MET 69 3HE MET 69 19.079 16.040 5.741 500 H VAL 70 H VAL 70 14.169 14.864 1.226 501 HA VAL 70 HA VAL 70 11.813 15.390 2.563 502 HB VAL 70 HB VAL 70 12.045 14.327 -0.255 503 HG11 VAL 70 1HG1 VAL 70 9.891 15.980 1.060 504 HG12 VAL 70 2HG1 VAL 70 9.943 15.515 -0.641 505 HG13 VAL 70 3HG1 VAL 70 9.762 14.281 0.606 506 HG21 VAL 70 1HG2 VAL 70 11.672 17.145 -0.139 507 HG22 VAL 70 2HG2 VAL 70 13.048 16.722 0.880 508 HG23 VAL 70 3HG2 VAL 70 13.026 16.239 -0.816 509 H LYS 71 H LYS 71 12.949 12.334 1.204 510 HA LYS 71 HA LYS 71 10.577 10.865 1.615 511 HB2 LYS 71 2HB LYS 71 12.659 10.264 0.211 512 HB3 LYS 71 3HB LYS 71 13.328 9.653 1.719 513 HG2 LYS 71 2HG LYS 71 10.620 8.717 1.013 514 HG3 LYS 71 3HG LYS 71 11.947 8.143 0.000 515 HD2 LYS 71 2HD LYS 71 12.013 7.995 3.005 516 HD3 LYS 71 3HD LYS 71 11.348 6.704 2.002 517 HE2 LYS 71 2HE LYS 71 13.792 7.257 0.833 518 HE3 LYS 71 3HE LYS 71 14.115 7.397 2.560 519 HZ1 LYS 71 1HZ LYS 71 14.479 5.159 1.997 520 HZ2 LYS 71 2HZ LYS 71 13.051 5.053 1.097 521 HZ3 LYS 71 3HZ LYS 71 12.980 5.180 2.782 522 H SER 72 H SER 72 13.251 11.689 3.707 523 HA SER 72 HA SER 72 12.610 9.806 5.760 524 HB2 SER 72 2HB SER 72 14.857 11.053 5.297 525 HB3 SER 72 3HB SER 72 14.143 12.338 6.269 526 HG SER 72 HG SER 72 15.372 10.207 7.144 527 H ARG 73 H ARG 73 12.247 13.347 5.532 528 HA ARG 73 HA ARG 73 10.803 13.664 7.913 529 HB2 ARG 73 2HB ARG 73 10.073 15.837 6.924 530 HB3 ARG 73 3HB ARG 73 11.811 15.573 6.861 531 HG2 ARG 73 2HG ARG 73 11.623 14.914 4.512 532 HG3 ARG 73 3HG ARG 73 9.882 15.198 4.579 533 HD2 ARG 73 2HD ARG 73 10.982 17.107 3.586 534 HD3 ARG 73 3HD ARG 73 10.316 17.553 5.157 535 HE ARG 73 HE ARG 73 12.867 16.874 5.741 536 HH11 ARG 73 1HH1 ARG 73 11.442 19.030 3.408 537 HH12 ARG 73 2HH1 ARG 73 12.787 20.122 3.402 538 HH21 ARG 73 1HH2 ARG 73 14.644 18.304 5.741 539 HH22 ARG 73 2HH2 ARG 73 14.608 19.708 4.728 540 H MET 74 H MET 74 9.763 12.933 4.632 541 HA MET 74 HA MET 74 6.994 13.299 5.038 542 HB2 MET 74 2HB MET 74 8.631 11.781 3.034 543 HB3 MET 74 3HB MET 74 6.880 11.618 3.050 544 HG2 MET 74 2HG MET 74 7.893 14.377 3.088 545 HG3 MET 74 3HG MET 74 8.225 13.461 1.620 546 HE1 MET 74 1HE MET 74 4.990 14.582 3.989 547 HE2 MET 74 2HE MET 74 6.183 15.714 3.351 548 HE3 MET 74 3HE MET 74 4.560 15.662 2.662 549 H ALA 75 H ALA 75 9.161 10.629 5.669 550 HA ALA 75 HA ALA 75 7.412 8.509 5.917 551 HB1 ALA 75 1HB ALA 75 9.758 9.047 7.731 552 HB2 ALA 75 2HB ALA 75 9.030 7.482 7.368 553 HB3 ALA 75 3HB ALA 75 9.880 8.372 6.106 554 H GLN 76 H GLN 76 8.025 11.145 8.162 555 HA GLN 76 HA GLN 76 6.569 10.029 10.338 556 HB2 GLN 76 2HB GLN 76 8.253 11.748 10.708 557 HB3 GLN 76 3HB GLN 76 7.334 12.891 9.737 558 HG2 GLN 76 2HG GLN 76 7.050 13.339 12.098 559 HG3 GLN 76 3HG GLN 76 5.525 12.836 11.369 560 HE21 GLN 76 1HE2 GLN 76 7.616 12.386 13.915 561 HE22 GLN 76 2HE2 GLN 76 7.002 10.884 14.509 562 H LYS 77 H LYS 77 5.756 12.219 7.696 563 HA LYS 77 HA LYS 77 3.104 12.743 8.649 564 HB2 LYS 77 2HB LYS 77 4.762 13.525 6.355 565 HB3 LYS 77 3HB LYS 77 3.052 13.364 5.976 566 HG2 LYS 77 2HG LYS 77 3.072 15.538 6.606 567 HG3 LYS 77 3HG LYS 77 2.812 14.803 8.189 568 HD2 LYS 77 2HD LYS 77 5.523 14.774 8.037 569 HD3 LYS 77 3HD LYS 77 5.148 16.240 7.128 570 HE2 LYS 77 2HE LYS 77 3.987 15.661 9.843 571 HE3 LYS 77 3HE LYS 77 5.514 16.514 9.623 572 HZ1 LYS 77 1HZ LYS 77 2.994 17.402 8.346 573 HZ2 LYS 77 2HZ LYS 77 4.434 18.270 8.519 574 HZ3 LYS 77 3HZ LYS 77 3.478 17.940 9.875 575 H ASP 78 H ASP 78 1.168 11.898 7.934 576 HA ASP 78 HA ASP 78 1.206 9.752 5.961 577 HB2 ASP 78 2HB ASP 78 1.073 9.286 8.798 578 HB3 ASP 78 3HB ASP 78 -0.434 8.778 8.040 579 H SER 79 H SER 79 -1.215 8.848 5.869 580 HA SER 79 HA SER 79 -2.780 10.885 4.806 581 HB2 SER 79 2HB SER 79 -3.266 8.054 5.593 582 HB3 SER 79 3HB SER 79 -4.678 9.069 5.302 583 HG SER 79 HG SER 79 -2.970 7.965 3.525 584 HA PRO 80 HA PRO 80 -4.886 12.826 8.127 585 HB2 PRO 80 2HB PRO 80 -7.389 13.150 7.127 586 HB3 PRO 80 3HB PRO 80 -6.000 14.085 6.561 587 HG2 PRO 80 2HG PRO 80 -7.281 11.671 5.340 588 HG3 PRO 80 3HG PRO 80 -6.705 13.151 4.552 589 HD2 PRO 80 2HD PRO 80 -5.275 10.852 4.557 590 HD3 PRO 80 3HD PRO 80 -4.508 12.453 4.565 591 H GLU 81 H GLU 81 -6.565 10.041 6.727 592 HA GLU 81 HA GLU 81 -8.243 9.641 9.019 593 HB2 GLU 81 2HB GLU 81 -7.768 8.254 6.437 594 HB3 GLU 81 3HB GLU 81 -8.418 7.286 7.752 595 HG2 GLU 81 2HG GLU 81 -9.888 9.695 7.677 596 HG3 GLU 81 3HG GLU 81 -9.766 9.096 6.024 597 H GLU 82 H GLU 82 -5.228 8.272 7.812 598 HA GLU 82 HA GLU 82 -5.026 6.157 9.666 599 HB2 GLU 82 2HB GLU 82 -3.587 6.967 7.484 600 HB3 GLU 82 3HB GLU 82 -2.488 7.360 8.799 601 HG2 GLU 82 2HG GLU 82 -3.768 4.660 8.510 602 HG3 GLU 82 3HG GLU 82 -2.233 5.078 7.752 603 H VAL 83 H VAL 83 -3.582 9.411 9.672 604 HA VAL 83 HA VAL 83 -2.251 9.214 12.121 605 HB VAL 83 HB VAL 83 -3.449 11.680 10.851 606 HG11 VAL 83 1HG1 VAL 83 -2.938 12.019 13.214 607 HG12 VAL 83 2HG1 VAL 83 -1.298 11.422 12.951 608 HG13 VAL 83 3HG1 VAL 83 -1.824 12.923 12.188 609 HG21 VAL 83 1HG2 VAL 83 -0.567 11.305 10.685 610 HG22 VAL 83 2HG2 VAL 83 -1.474 10.040 9.856 611 HG23 VAL 83 3HG2 VAL 83 -1.727 11.732 9.427 612 H LEU 84 H LEU 84 -5.583 10.053 11.370 613 HA LEU 84 HA LEU 84 -6.291 10.964 13.958 614 HB2 LEU 84 2HB LEU 84 -7.518 10.790 11.470 615 HB3 LEU 84 3HB LEU 84 -8.475 9.734 12.506 616 HG LEU 84 HG LEU 84 -7.846 12.565 13.291 617 HD11 LEU 84 1HD1 LEU 84 -9.138 12.059 10.986 618 HD12 LEU 84 2HD1 LEU 84 -9.495 13.436 12.028 619 HD13 LEU 84 3HD1 LEU 84 -10.486 11.980 12.121 620 HD21 LEU 84 1HD2 LEU 84 -9.463 10.352 14.322 621 HD22 LEU 84 2HD2 LEU 84 -10.310 11.898 14.250 622 HD23 LEU 84 3HD2 LEU 84 -8.801 11.760 15.152 623 H LYS 85 H LYS 85 -6.650 7.825 12.335 624 HA LYS 85 HA LYS 85 -7.960 6.495 14.429 625 HB2 LYS 85 2HB LYS 85 -7.705 5.698 12.047 626 HB3 LYS 85 3HB LYS 85 -6.057 5.237 12.450 627 HG2 LYS 85 2HG LYS 85 -8.016 4.182 14.323 628 HG3 LYS 85 3HG LYS 85 -8.280 3.644 12.663 629 HD2 LYS 85 2HD LYS 85 -5.517 3.564 13.777 630 HD3 LYS 85 3HD LYS 85 -6.672 2.328 14.281 631 HE2 LYS 85 2HE LYS 85 -6.318 2.957 11.379 632 HE3 LYS 85 3HE LYS 85 -5.153 1.922 12.204 633 HZ1 LYS 85 1HZ LYS 85 -7.642 1.213 11.177 634 HZ2 LYS 85 2HZ LYS 85 -7.754 1.084 12.859 635 HZ3 LYS 85 3HZ LYS 85 -6.552 0.235 12.025 636 H ALA 86 H ALA 86 -4.514 6.830 13.677 637 HA ALA 86 HA ALA 86 -3.564 5.154 15.739 638 HB1 ALA 86 1HB ALA 86 -1.476 5.756 15.068 639 HB2 ALA 86 2HB ALA 86 -2.381 6.270 13.643 640 HB3 ALA 86 3HB ALA 86 -1.908 7.453 14.863 641 H PHE 87 H PHE 87 -4.107 8.656 15.586 642 HA PHE 87 HA PHE 87 -3.076 9.305 18.108 643 HB2 PHE 87 2HB PHE 87 -4.706 10.609 16.070 644 HB3 PHE 87 3HB PHE 87 -5.141 11.110 17.701 645 HD1 PHE 87 HD1 PHE 87 -1.832 10.208 16.256 646 HD2 PHE 87 HD2 PHE 87 -4.282 13.236 17.974 647 HE1 PHE 87 HE1 PHE 87 0.093 11.741 16.292 648 HE2 PHE 87 HE2 PHE 87 -2.361 14.773 18.012 649 HZ PHE 87 HZ PHE 87 -0.171 14.027 17.170 650 H GLN 88 H GLN 88 -6.419 8.584 17.126 651 HA GLN 88 HA GLN 88 -7.574 8.849 19.668 652 HB2 GLN 88 2HB GLN 88 -8.590 8.495 17.221 653 HB3 GLN 88 3HB GLN 88 -8.695 6.835 17.790 654 HG2 GLN 88 2HG GLN 88 -10.095 7.461 19.607 655 HG3 GLN 88 3HG GLN 88 -9.828 9.175 19.296 656 HE21 GLN 88 1HE2 GLN 88 -12.330 8.633 19.469 657 HE22 GLN 88 2HE2 GLN 88 -13.113 8.496 17.935 658 H LEU 89 H LEU 89 -6.131 6.071 18.034 659 HA LEU 89 HA LEU 89 -6.849 4.114 19.918 660 HB2 LEU 89 2HB LEU 89 -6.018 3.588 17.682 661 HB3 LEU 89 3HB LEU 89 -4.437 4.236 18.113 662 HG LEU 89 HG LEU 89 -4.225 2.430 19.811 663 HD11 LEU 89 1HD1 LEU 89 -6.827 1.551 18.587 664 HD12 LEU 89 2HD1 LEU 89 -6.473 1.872 20.284 665 HD13 LEU 89 3HD1 LEU 89 -5.768 0.465 19.487 666 HD21 LEU 89 1HD2 LEU 89 -3.753 2.354 17.122 667 HD22 LEU 89 2HD2 LEU 89 -4.704 0.890 17.371 668 HD23 LEU 89 3HD2 LEU 89 -3.216 1.141 18.284 669 H PHE 90 H PHE 90 -4.057 6.266 19.708 670 HA PHE 90 HA PHE 90 -2.470 5.191 21.710 671 HB2 PHE 90 2HB PHE 90 -1.874 7.084 20.154 672 HB3 PHE 90 3HB PHE 90 -2.817 8.148 21.193 673 HD1 PHE 90 HD1 PHE 90 -0.326 5.442 21.833 674 HD2 PHE 90 HD2 PHE 90 -1.457 9.500 22.442 675 HE1 PHE 90 HE1 PHE 90 1.643 5.771 23.272 676 HE2 PHE 90 HE2 PHE 90 0.510 9.836 23.881 677 HZ PHE 90 HZ PHE 90 2.063 7.970 24.298 678 H ASP 91 H ASP 91 -5.362 7.130 21.947 679 HA ASP 91 HA ASP 91 -5.506 6.562 24.791 680 HB2 ASP 91 2HB ASP 91 -5.994 8.946 25.350 681 HB3 ASP 91 3HB ASP 91 -4.331 8.668 24.839 682 H LEU 92 H LEU 92 -7.431 5.619 24.926 683 HA LEU 92 HA LEU 92 -9.544 6.006 23.102 684 HB2 LEU 92 2HB LEU 92 -10.903 4.796 24.848 685 HB3 LEU 92 3HB LEU 92 -9.477 3.955 24.244 686 HG LEU 92 HG LEU 92 -8.880 5.478 26.634 687 HD11 LEU 92 1HD1 LEU 92 -10.176 3.686 28.037 688 HD12 LEU 92 2HD1 LEU 92 -11.256 3.680 26.643 689 HD13 LEU 92 3HD1 LEU 92 -10.969 5.177 27.530 690 HD21 LEU 92 1HD2 LEU 92 -7.921 3.279 25.339 691 HD22 LEU 92 2HD2 LEU 92 -8.776 2.552 26.700 692 HD23 LEU 92 3HD2 LEU 92 -7.507 3.743 26.990 693 H ASP 93 H ASP 93 -8.783 7.466 26.200 694 HA ASP 93 HA ASP 93 -11.275 8.999 26.147 695 HB2 ASP 93 2HB ASP 93 -9.188 8.485 28.246 696 HB3 ASP 93 3HB ASP 93 -10.309 9.834 28.411 697 H LYS 94 H LYS 94 -10.995 11.355 26.913 698 HA LYS 94 HA LYS 94 -8.682 12.568 25.552 699 HB2 LYS 94 2HB LYS 94 -10.299 14.445 24.934 700 HB3 LYS 94 3HB LYS 94 -10.450 12.937 24.041 701 HG2 LYS 94 2HG LYS 94 -12.126 13.029 26.421 702 HG3 LYS 94 3HG LYS 94 -12.494 14.300 25.252 703 HD2 LYS 94 2HD LYS 94 -12.845 12.690 23.515 704 HD3 LYS 94 3HD LYS 94 -12.250 11.380 24.538 705 HE2 LYS 94 2HE LYS 94 -14.168 11.329 25.814 706 HE3 LYS 94 3HE LYS 94 -14.579 13.005 25.454 707 HZ1 LYS 94 1HZ LYS 94 -15.092 10.587 23.885 708 HZ2 LYS 94 2HZ LYS 94 -14.825 12.033 23.048 709 HZ3 LYS 94 3HZ LYS 94 -16.091 11.924 24.165 710 H LYS 95 H LYS 95 -7.901 12.515 27.834 711 HA LYS 95 HA LYS 95 -9.140 14.236 29.759 712 HB2 LYS 95 2HB LYS 95 -7.034 13.857 31.053 713 HB3 LYS 95 3HB LYS 95 -7.856 12.380 30.570 714 HG2 LYS 95 2HG LYS 95 -5.970 13.125 28.553 715 HG3 LYS 95 3HG LYS 95 -5.178 13.092 30.131 716 HD2 LYS 95 2HD LYS 95 -6.063 10.828 30.507 717 HD3 LYS 95 3HD LYS 95 -6.814 10.866 28.910 718 HE2 LYS 95 2HE LYS 95 -4.437 11.351 28.045 719 HE3 LYS 95 3HE LYS 95 -3.902 10.782 29.626 720 HZ1 LYS 95 1HZ LYS 95 -4.839 8.667 29.231 721 HZ2 LYS 95 2HZ LYS 95 -3.979 9.062 27.830 722 HZ3 LYS 95 3HZ LYS 95 -5.666 9.192 27.852 723 H GLY 96 H GLY 96 -6.606 14.556 27.361 724 HA2 GLY 96 2HA GLY 96 -5.662 16.461 26.469 725 HA3 GLY 96 3HA GLY 96 -6.765 17.409 27.455 726 H LYS 97 H LYS 97 -4.924 15.125 29.187 727 HA LYS 97 HA LYS 97 -3.028 17.229 30.002 728 HB2 LYS 97 2HB LYS 97 -4.290 15.107 31.748 729 HB3 LYS 97 3HB LYS 97 -3.085 16.274 32.273 730 HG2 LYS 97 2HG LYS 97 -4.616 17.852 32.594 731 HG3 LYS 97 3HG LYS 97 -5.367 17.552 31.026 732 HD2 LYS 97 2HD LYS 97 -6.538 15.604 32.002 733 HD3 LYS 97 3HD LYS 97 -5.842 16.005 33.574 734 HE2 LYS 97 2HE LYS 97 -7.086 18.323 32.425 735 HE3 LYS 97 3HE LYS 97 -8.224 16.976 32.444 736 HZ1 LYS 97 1HZ LYS 97 -6.726 17.268 34.885 737 HZ2 LYS 97 2HZ LYS 97 -8.389 17.058 34.654 738 HZ3 LYS 97 3HZ LYS 97 -7.708 18.601 34.534 739 H ILE 98 H ILE 98 -1.299 16.567 28.786 740 HA ILE 98 HA ILE 98 -0.078 14.033 29.609 741 HB ILE 98 HB ILE 98 -0.265 14.921 26.728 742 HG12 ILE 98 2HG1 ILE 98 -1.427 12.502 26.754 743 HG13 ILE 98 3HG1 ILE 98 -1.839 13.020 28.385 744 HG21 ILE 98 1HG2 ILE 98 1.827 13.831 27.117 745 HG22 ILE 98 2HG2 ILE 98 1.044 12.539 28.025 746 HG23 ILE 98 3HG2 ILE 98 0.766 12.690 26.290 747 HD11 ILE 98 1HD1 ILE 98 -3.655 13.739 27.189 748 HD12 ILE 98 2HD1 ILE 98 -2.646 15.185 27.187 749 HD13 ILE 98 3HD1 ILE 98 -2.696 14.144 25.766 750 H SER 99 H SER 99 1.961 14.316 30.213 751 HA SER 99 HA SER 99 3.235 16.848 30.018 752 HB2 SER 99 2HB SER 99 4.625 14.264 30.718 753 HB3 SER 99 3HB SER 99 5.002 15.894 31.277 754 HG SER 99 HG SER 99 3.845 14.536 32.808 755 H PHE 100 H PHE 100 4.608 17.633 28.547 756 HA PHE 100 HA PHE 100 4.917 16.513 26.030 757 HB2 PHE 100 2HB PHE 100 6.655 18.203 25.654 758 HB3 PHE 100 3HB PHE 100 5.275 18.896 26.500 759 HD1 PHE 100 HD1 PHE 100 5.450 19.573 28.822 760 HD2 PHE 100 HD2 PHE 100 8.791 17.959 26.736 761 HE1 PHE 100 HE1 PHE 100 6.948 20.398 30.591 762 HE2 PHE 100 HE2 PHE 100 10.294 18.780 28.502 763 HZ PHE 100 HZ PHE 100 9.374 20.001 30.433 764 H ALA 101 H ALA 101 6.934 16.208 28.889 765 HA ALA 101 HA ALA 101 9.198 15.053 27.718 766 HB1 ALA 101 1HB ALA 101 9.328 13.925 30.095 767 HB2 ALA 101 2HB ALA 101 9.589 15.658 29.888 768 HB3 ALA 101 3HB ALA 101 8.028 15.063 30.453 769 H ASN 102 H ASN 102 6.405 13.452 29.255 770 HA ASN 102 HA ASN 102 7.170 10.823 28.754 771 HB2 ASN 102 2HB ASN 102 4.582 12.193 29.300 772 HB3 ASN 102 3HB ASN 102 4.517 10.542 28.691 773 HD21 ASN 102 1HD2 ASN 102 5.803 8.934 29.876 774 HD22 ASN 102 2HD2 ASN 102 5.934 9.095 31.591 775 H LEU 103 H LEU 103 5.285 13.058 26.755 776 HA LEU 103 HA LEU 103 4.587 11.284 24.713 777 HB2 LEU 103 2HB LEU 103 3.503 13.361 24.743 778 HB3 LEU 103 3HB LEU 103 5.024 14.250 24.787 779 HG LEU 103 HG LEU 103 5.447 13.671 22.458 780 HD11 LEU 103 1HD1 LEU 103 4.419 11.526 22.286 781 HD12 LEU 103 2HD1 LEU 103 3.613 12.601 21.145 782 HD13 LEU 103 3HD1 LEU 103 2.832 12.192 22.672 783 HD21 LEU 103 1HD2 LEU 103 4.374 15.707 22.571 784 HD22 LEU 103 2HD2 LEU 103 2.886 15.010 23.212 785 HD23 LEU 103 3HD2 LEU 103 3.297 14.798 21.510 786 H LYS 104 H LYS 104 7.423 13.400 25.023 787 HA LYS 104 HA LYS 104 8.617 12.787 22.570 788 HB2 LYS 104 2HB LYS 104 9.216 14.563 24.412 789 HB3 LYS 104 3HB LYS 104 10.289 13.299 25.000 790 HG2 LYS 104 2HG LYS 104 10.658 13.534 22.196 791 HG3 LYS 104 3HG LYS 104 10.718 15.151 22.903 792 HD2 LYS 104 2HD LYS 104 12.202 12.998 24.303 793 HD3 LYS 104 3HD LYS 104 12.857 13.561 22.764 794 HE2 LYS 104 2HE LYS 104 12.036 15.530 24.860 795 HE3 LYS 104 3HE LYS 104 13.590 14.707 24.983 796 HZ1 LYS 104 1HZ LYS 104 12.889 16.905 23.371 797 HZ2 LYS 104 2HZ LYS 104 13.346 15.622 22.369 798 HZ3 LYS 104 3HZ LYS 104 14.405 16.178 23.565 799 H GLU 105 H GLU 105 9.171 11.346 25.780 800 HA GLU 105 HA GLU 105 11.100 9.488 25.079 801 HB2 GLU 105 2HB GLU 105 10.012 10.101 27.393 802 HB3 GLU 105 3HB GLU 105 8.965 8.736 27.035 803 HG2 GLU 105 2HG GLU 105 10.983 7.324 26.763 804 HG3 GLU 105 3HG GLU 105 11.963 8.696 27.277 805 H VAL 106 H VAL 106 7.569 9.026 25.167 806 HA VAL 106 HA VAL 106 7.503 6.391 24.272 807 HB VAL 106 HB VAL 106 5.454 8.531 23.682 808 HG11 VAL 106 1HG1 VAL 106 4.980 6.631 22.353 809 HG12 VAL 106 2HG1 VAL 106 5.337 5.524 23.681 810 HG13 VAL 106 3HG1 VAL 106 3.898 6.543 23.743 811 HG21 VAL 106 1HG2 VAL 106 4.725 6.829 25.847 812 HG22 VAL 106 2HG2 VAL 106 6.324 7.500 26.170 813 HG23 VAL 106 3HG2 VAL 106 4.965 8.577 25.848 814 H ALA 107 H ALA 107 7.519 9.415 22.429 815 HA ALA 107 HA ALA 107 7.103 8.370 19.880 816 HB1 ALA 107 1HB ALA 107 8.043 10.866 21.014 817 HB2 ALA 107 2HB ALA 107 8.844 10.485 19.489 818 HB3 ALA 107 3HB ALA 107 7.084 10.574 19.562 819 H LYS 108 H LYS 108 10.206 9.099 21.480 820 HA LYS 108 HA LYS 108 11.822 8.023 19.434 821 HB2 LYS 108 2HB LYS 108 12.476 8.328 22.370 822 HB3 LYS 108 3HB LYS 108 13.638 8.122 21.066 823 HG2 LYS 108 2HG LYS 108 11.778 10.467 21.400 824 HG3 LYS 108 3HG LYS 108 13.496 10.444 21.804 825 HD2 LYS 108 2HD LYS 108 13.252 9.515 19.146 826 HD3 LYS 108 3HD LYS 108 12.245 10.958 19.286 827 HE2 LYS 108 2HE LYS 108 14.456 11.778 20.598 828 HE3 LYS 108 3HE LYS 108 15.175 10.659 19.441 829 HZ1 LYS 108 1HZ LYS 108 13.219 12.560 18.409 830 HZ2 LYS 108 2HZ LYS 108 14.633 11.968 17.695 831 HZ3 LYS 108 3HZ LYS 108 14.723 13.185 18.867 832 H LEU 109 H LEU 109 10.205 6.594 22.173 833 HA LEU 109 HA LEU 109 11.645 4.171 22.286 834 HB2 LEU 109 2HB LEU 109 10.040 5.113 24.003 835 HB3 LEU 109 3HB LEU 109 8.737 4.520 22.974 836 HG LEU 109 HG LEU 109 10.035 2.234 23.245 837 HD11 LEU 109 1HD1 LEU 109 10.713 3.640 25.820 838 HD12 LEU 109 2HD1 LEU 109 11.873 3.312 24.533 839 HD13 LEU 109 3HD1 LEU 109 11.089 1.975 25.374 840 HD21 LEU 109 1HD2 LEU 109 8.364 3.308 25.507 841 HD22 LEU 109 2HD2 LEU 109 8.501 1.637 24.959 842 HD23 LEU 109 3HD2 LEU 109 7.698 2.836 23.944 843 H LEU 110 H LEU 110 9.064 5.297 20.237 844 HA LEU 110 HA LEU 110 8.228 2.771 19.258 845 HB2 LEU 110 2HB LEU 110 7.963 5.587 18.267 846 HB3 LEU 110 3HB LEU 110 7.410 4.227 17.293 847 HG LEU 110 HG LEU 110 6.408 4.906 20.057 848 HD11 LEU 110 1HD1 LEU 110 4.422 5.712 19.004 849 HD12 LEU 110 2HD1 LEU 110 5.010 5.237 17.411 850 HD13 LEU 110 3HD1 LEU 110 5.798 6.550 18.286 851 HD21 LEU 110 1HD2 LEU 110 5.708 2.791 20.046 852 HD22 LEU 110 2HD2 LEU 110 6.147 2.571 18.351 853 HD23 LEU 110 3HD2 LEU 110 4.585 3.274 18.774 854 H GLY 111 H GLY 111 11.033 4.610 18.738 855 HA2 GLY 111 2HA GLY 111 12.922 3.909 17.552 856 HA3 GLY 111 3HA GLY 111 11.932 2.714 16.727 857 H GLU 112 H GLU 112 10.731 5.933 16.827 858 HA GLU 112 HA GLU 112 11.244 6.180 13.954 859 HB2 GLU 112 2HB GLU 112 8.908 6.398 15.057 860 HB3 GLU 112 3HB GLU 112 9.456 7.996 15.544 861 HG2 GLU 112 2HG GLU 112 8.550 8.624 13.597 862 HG3 GLU 112 3HG GLU 112 10.079 8.058 12.926 863 H ASN 113 H ASN 113 12.471 7.760 13.092 864 HA ASN 113 HA ASN 113 13.632 9.732 14.950 865 HB2 ASN 113 2HB ASN 113 14.863 8.065 12.803 866 HB3 ASN 113 3HB ASN 113 15.512 9.680 13.074 867 HD21 ASN 113 1HD2 ASN 113 17.459 8.998 13.867 868 HD22 ASN 113 2HD2 ASN 113 17.634 8.205 15.392 869 HA PRO 114 HA PRO 114 11.282 11.951 11.584 870 HB2 PRO 114 2HB PRO 114 9.918 13.586 13.268 871 HB3 PRO 114 3HB PRO 114 9.337 11.982 12.807 872 HG2 PRO 114 2HG PRO 114 10.762 12.838 15.297 873 HG3 PRO 114 3HG PRO 114 9.372 11.751 15.121 874 HD2 PRO 114 2HD PRO 114 11.896 10.840 15.481 875 HD3 PRO 114 3HD PRO 114 10.689 9.957 14.524 876 H GLY 115 H GLY 115 11.160 14.400 11.306 877 HA2 GLY 115 2HA GLY 115 13.788 15.471 11.712 878 HA3 GLY 115 3HA GLY 115 12.441 16.282 10.926 879 H ASP 116 H ASP 116 14.475 17.091 13.029 880 HA ASP 116 HA ASP 116 13.342 17.445 15.522 881 HB2 ASP 116 2HB ASP 116 15.662 18.251 14.319 882 HB3 ASP 116 3HB ASP 116 14.828 19.787 14.542 883 H ASP 117 H ASP 117 12.833 19.294 12.573 884 HA ASP 117 HA ASP 117 11.453 21.473 13.642 885 HB2 ASP 117 2HB ASP 117 10.372 21.579 11.338 886 HB3 ASP 117 3HB ASP 117 12.133 21.614 11.376 887 H VAL 118 H VAL 118 10.344 18.249 12.769 888 HA VAL 118 HA VAL 118 7.568 18.783 13.068 889 HB VAL 118 HB VAL 118 8.963 16.117 13.332 890 HG11 VAL 118 1HG1 VAL 118 6.781 15.810 14.082 891 HG12 VAL 118 2HG1 VAL 118 6.114 16.951 12.912 892 HG13 VAL 118 3HG1 VAL 118 6.691 15.371 12.377 893 HG21 VAL 118 1HG2 VAL 118 9.646 16.769 11.234 894 HG22 VAL 118 2HG2 VAL 118 8.110 15.988 10.859 895 HG23 VAL 118 3HG2 VAL 118 8.206 17.746 10.949 896 H LEU 119 H LEU 119 10.120 17.870 15.268 897 HA LEU 119 HA LEU 119 8.431 17.051 17.411 898 HB2 LEU 119 2HB LEU 119 11.023 16.720 16.930 899 HB3 LEU 119 3HB LEU 119 11.135 18.157 17.946 900 HG LEU 119 HG LEU 119 11.482 16.235 19.320 901 HD11 LEU 119 1HD1 LEU 119 10.120 18.076 20.248 902 HD12 LEU 119 2HD1 LEU 119 9.746 16.510 20.967 903 HD13 LEU 119 3HD1 LEU 119 8.663 17.207 19.762 904 HD21 LEU 119 1HD2 LEU 119 8.975 14.909 19.237 905 HD22 LEU 119 2HD2 LEU 119 10.571 14.273 18.838 906 HD23 LEU 119 3HD2 LEU 119 9.585 15.030 17.587 907 H GLN 120 H GLN 120 10.376 20.003 16.920 908 HA GLN 120 HA GLN 120 9.389 21.388 19.147 909 HB2 GLN 120 2HB GLN 120 10.308 22.687 16.586 910 HB3 GLN 120 3HB GLN 120 10.399 23.336 18.218 911 HG2 GLN 120 2HG GLN 120 12.061 21.195 16.953 912 HG3 GLN 120 3HG GLN 120 12.578 22.691 17.729 913 HE21 GLN 120 1HE2 GLN 120 12.954 19.630 18.112 914 HE22 GLN 120 2HE2 GLN 120 12.814 19.444 19.824 915 H GLU 121 H GLU 121 8.324 21.377 15.765 916 HA GLU 121 HA GLU 121 6.325 23.336 16.029 917 HB2 GLU 121 2HB GLU 121 6.722 21.068 14.091 918 HB3 GLU 121 3HB GLU 121 5.335 22.141 13.982 919 HG2 GLU 121 2HG GLU 121 8.185 23.096 13.949 920 HG3 GLU 121 3HG GLU 121 7.254 22.728 12.498 921 H MET 122 H MET 122 6.184 19.800 16.288 922 HA MET 122 HA MET 122 3.437 19.521 16.643 923 HB2 MET 122 2HB MET 122 4.846 17.596 16.265 924 HB3 MET 122 3HB MET 122 5.712 17.882 17.768 925 HG2 MET 122 2HG MET 122 2.953 17.666 18.377 926 HG3 MET 122 3HG MET 122 3.391 16.323 17.323 927 HE1 MET 122 1HE MET 122 6.243 15.851 17.810 928 HE2 MET 122 2HE MET 122 6.548 14.965 19.304 929 HE3 MET 122 3HE MET 122 5.350 14.369 18.154 930 H ILE 123 H ILE 123 5.960 19.753 19.154 931 HA ILE 123 HA ILE 123 4.244 19.777 21.358 932 HB ILE 123 HB ILE 123 6.940 21.112 21.087 933 HG12 ILE 123 2HG1 ILE 123 6.947 18.683 20.605 934 HG13 ILE 123 3HG1 ILE 123 7.835 19.074 22.074 935 HG21 ILE 123 1HG2 ILE 123 6.471 21.976 23.088 936 HG22 ILE 123 2HG2 ILE 123 5.033 20.973 23.273 937 HG23 ILE 123 3HG2 ILE 123 6.617 20.333 23.710 938 HD11 ILE 123 1HD1 ILE 123 5.100 18.511 22.708 939 HD12 ILE 123 2HD1 ILE 123 5.792 17.197 21.755 940 HD13 ILE 123 3HD1 ILE 123 6.569 17.703 23.255 941 H ALA 124 H ALA 124 5.397 22.403 19.308 942 HA ALA 124 HA ALA 124 4.482 24.560 20.849 943 HB1 ALA 124 1HB ALA 124 5.616 25.589 19.243 944 HB2 ALA 124 2HB ALA 124 5.557 24.158 18.213 945 HB3 ALA 124 3HB ALA 124 4.239 25.329 18.172 946 H GLU 125 H GLU 125 2.884 22.679 18.301 947 HA GLU 125 HA GLU 125 0.509 24.206 18.233 948 HB2 GLU 125 2HB GLU 125 0.972 21.311 17.494 949 HB3 GLU 125 3HB GLU 125 -0.468 22.235 17.091 950 HG2 GLU 125 2HG GLU 125 2.188 23.278 16.251 951 HG3 GLU 125 3HG GLU 125 1.476 21.931 15.365 952 H ALA 126 H ALA 126 1.263 21.122 19.846 953 HA ALA 126 HA ALA 126 -1.205 20.750 21.096 954 HB1 ALA 126 1HB ALA 126 1.269 19.448 21.061 955 HB2 ALA 126 2HB ALA 126 0.939 19.796 22.759 956 HB3 ALA 126 3HB ALA 126 -0.229 18.884 21.802 957 H ASP 127 H ASP 127 1.567 22.691 22.020 958 HA ASP 127 HA ASP 127 0.738 23.217 24.683 959 HB2 ASP 127 2HB ASP 127 3.031 23.574 24.189 960 HB3 ASP 127 3HB ASP 127 2.651 24.605 22.812 961 H GLU 128 H GLU 128 -0.048 24.605 21.592 962 HA GLU 128 HA GLU 128 -1.074 27.077 22.481 963 HB2 GLU 128 2HB GLU 128 -0.565 26.123 20.060 964 HB3 GLU 128 3HB GLU 128 -2.273 25.710 20.116 965 HG2 GLU 128 2HG GLU 128 -2.945 27.912 20.171 966 HG3 GLU 128 3HG GLU 128 -1.401 28.476 20.806 967 H ASP 129 H ASP 129 -2.359 23.861 22.497 968 HA ASP 129 HA ASP 129 -5.104 24.424 22.639 969 HB2 ASP 129 2HB ASP 129 -4.056 22.158 22.303 970 HB3 ASP 129 3HB ASP 129 -3.688 22.142 24.026 971 H GLY 130 H GLY 130 -2.588 24.413 25.096 972 HA2 GLY 130 2HA GLY 130 -4.380 25.858 26.885 973 HA3 GLY 130 3HA GLY 130 -3.763 24.323 27.477 974 H ASP 131 H ASP 131 -2.387 24.907 29.050 975 HA ASP 131 HA ASP 131 -0.103 26.579 28.264 976 HB2 ASP 131 2HB ASP 131 -2.017 27.039 30.472 977 HB3 ASP 131 3HB ASP 131 -0.315 27.228 30.885 978 H GLY 132 H GLY 132 1.240 24.802 28.067 979 HA2 GLY 132 2HA GLY 132 2.946 23.511 28.999 980 HA3 GLY 132 3HA GLY 132 2.214 23.729 30.582 981 H GLU 133 H GLU 133 0.138 22.713 28.040 982 HA GLU 133 HA GLU 133 0.284 19.936 29.015 983 HB2 GLU 133 2HB GLU 133 -2.039 21.761 28.749 984 HB3 GLU 133 3HB GLU 133 -2.291 20.093 28.254 985 HG2 GLU 133 2HG GLU 133 -1.533 19.335 30.458 986 HG3 GLU 133 3HG GLU 133 -1.323 21.015 30.951 987 H VAL 134 H VAL 134 -0.240 18.295 27.508 988 HA VAL 134 HA VAL 134 0.059 19.149 24.705 989 HB VAL 134 HB VAL 134 0.767 16.486 25.945 990 HG11 VAL 134 1HG1 VAL 134 0.269 17.225 23.243 991 HG12 VAL 134 2HG1 VAL 134 1.992 16.887 23.423 992 HG13 VAL 134 3HG1 VAL 134 0.800 15.670 23.882 993 HG21 VAL 134 1HG2 VAL 134 3.101 17.181 25.461 994 HG22 VAL 134 2HG2 VAL 134 2.498 18.781 25.030 995 HG23 VAL 134 3HG2 VAL 134 2.310 18.182 26.678 996 H SER 135 H SER 135 -1.899 19.217 23.789 997 HA SER 135 HA SER 135 -3.809 17.062 24.376 998 HB2 SER 135 2HB SER 135 -4.789 19.198 24.796 999 HB3 SER 135 3HB SER 135 -4.189 19.848 23.271 1000 HG SER 135 HG SER 135 -6.514 19.027 23.519 1001 H PHE 136 H PHE 136 -3.345 15.432 23.000 1002 HA PHE 136 HA PHE 136 -2.323 15.608 20.432 1003 HB2 PHE 136 2HB PHE 136 -3.708 13.556 22.021 1004 HB3 PHE 136 3HB PHE 136 -3.867 13.356 20.279 1005 HD1 PHE 136 HD1 PHE 136 -1.015 14.620 22.306 1006 HD2 PHE 136 HD2 PHE 136 -2.492 11.592 19.705 1007 HE1 PHE 136 HE1 PHE 136 1.224 13.604 22.223 1008 HE2 PHE 136 HE2 PHE 136 -0.255 10.570 19.618 1009 HZ PHE 136 HZ PHE 136 1.606 11.576 20.879 1010 H GLU 137 H GLU 137 -5.650 15.830 21.540 1011 HA GLU 137 HA GLU 137 -6.992 15.576 19.119 1012 HB2 GLU 137 2HB GLU 137 -7.917 15.825 21.522 1013 HB3 GLU 137 3HB GLU 137 -7.847 17.554 21.214 1014 HG2 GLU 137 2HG GLU 137 -9.305 17.245 19.261 1015 HG3 GLU 137 3HG GLU 137 -9.411 15.526 19.634 1016 H GLU 138 H GLU 138 -5.518 18.436 20.595 1017 HA GLU 138 HA GLU 138 -6.387 20.294 18.661 1018 HB2 GLU 138 2HB GLU 138 -5.261 20.622 21.018 1019 HB3 GLU 138 3HB GLU 138 -3.776 20.640 20.078 1020 HG2 GLU 138 2HG GLU 138 -6.125 22.457 19.594 1021 HG3 GLU 138 3HG GLU 138 -4.697 22.886 20.534 1022 H PHE 139 H PHE 139 -3.345 18.485 18.982 1023 HA PHE 139 HA PHE 139 -1.999 19.524 16.791 1024 HB2 PHE 139 2HB PHE 139 -0.895 18.079 18.403 1025 HB3 PHE 139 3HB PHE 139 -1.907 16.721 17.923 1026 HD1 PHE 139 HD1 PHE 139 1.004 18.729 17.122 1027 HD2 PHE 139 HD2 PHE 139 -1.581 15.643 15.741 1028 HE1 PHE 139 HE1 PHE 139 2.675 18.091 15.432 1029 HE2 PHE 139 HE2 PHE 139 0.086 15.000 14.049 1030 HZ PHE 139 HZ PHE 139 2.217 16.224 13.893 1031 H LYS 140 H LYS 140 -3.882 16.494 16.880 1032 HA LYS 140 HA LYS 140 -3.774 15.910 14.170 1033 HB2 LYS 140 2HB LYS 140 -4.593 14.313 15.815 1034 HB3 LYS 140 3HB LYS 140 -5.987 15.332 16.148 1035 HG2 LYS 140 2HG LYS 140 -6.684 13.529 14.752 1036 HG3 LYS 140 3HG LYS 140 -6.713 15.012 13.795 1037 HD2 LYS 140 2HD LYS 140 -4.130 13.870 13.542 1038 HD3 LYS 140 3HD LYS 140 -5.312 12.585 13.284 1039 HE2 LYS 140 2HE LYS 140 -5.242 15.248 11.867 1040 HE3 LYS 140 3HE LYS 140 -4.739 13.701 11.188 1041 HZ1 LYS 140 1HZ LYS 140 -7.488 14.308 12.133 1042 HZ2 LYS 140 2HZ LYS 140 -6.979 12.897 11.352 1043 HZ3 LYS 140 3HZ LYS 140 -6.994 14.368 10.516 1044 H SER 141 H SER 141 -6.162 17.844 15.945 1045 HA SER 141 HA SER 141 -7.962 18.350 13.912 1046 HB2 SER 141 2HB SER 141 -8.559 19.090 16.075 1047 HB3 SER 141 3HB SER 141 -7.074 20.023 16.256 1048 HG SER 141 HG SER 141 -8.240 21.626 15.569 1049 H VAL 142 H VAL 142 -5.046 20.205 14.752 1050 HA VAL 142 HA VAL 142 -5.295 22.144 12.732 1051 HB VAL 142 HB VAL 142 -2.761 21.118 14.019 1052 HG11 VAL 142 1HG1 VAL 142 -2.404 23.775 13.426 1053 HG12 VAL 142 2HG1 VAL 142 -1.773 22.418 12.491 1054 HG13 VAL 142 3HG1 VAL 142 -3.295 23.179 12.027 1055 HG21 VAL 142 1HG2 VAL 142 -3.304 22.229 15.868 1056 HG22 VAL 142 2HG2 VAL 142 -3.718 23.677 14.950 1057 HG23 VAL 142 3HG2 VAL 142 -4.926 22.417 15.201 1058 H MET 143 H MET 143 -3.507 19.074 12.809 1059 HA MET 143 HA MET 143 -2.245 19.223 10.353 1060 HB2 MET 143 2HB MET 143 -1.815 17.444 11.979 1061 HB3 MET 143 3HB MET 143 -3.416 16.778 11.691 1062 HG2 MET 143 2HG MET 143 -2.838 15.874 9.685 1063 HG3 MET 143 3HG MET 143 -1.608 17.095 9.364 1064 HE1 MET 143 1HE MET 143 0.753 15.434 8.847 1065 HE2 MET 143 2HE MET 143 0.563 16.995 9.646 1066 HE3 MET 143 3HE MET 143 1.566 15.745 10.382 1067 H MET 144 H MET 144 -5.467 17.891 11.075 1068 HA MET 144 HA MET 144 -6.112 17.218 8.417 1069 HB2 MET 144 2HB MET 144 -7.267 16.715 10.790 1070 HB3 MET 144 3HB MET 144 -8.306 18.025 10.244 1071 HG2 MET 144 2HG MET 144 -7.718 15.691 8.470 1072 HG3 MET 144 3HG MET 144 -8.968 15.602 9.709 1073 HE1 MET 144 1HE MET 144 -10.709 17.018 10.040 1074 HE2 MET 144 2HE MET 144 -11.217 18.397 9.066 1075 HE3 MET 144 3HE MET 144 -11.814 16.781 8.686 1076 H GLN 145 H GLN 145 -6.682 20.140 10.327 1077 HA GLN 145 HA GLN 145 -8.335 21.516 8.570 1078 HB2 GLN 145 2HB GLN 145 -7.861 22.286 10.845 1079 HB3 GLN 145 3HB GLN 145 -6.199 22.636 10.392 1080 HG2 GLN 145 2HG GLN 145 -7.200 24.219 8.653 1081 HG3 GLN 145 3HG GLN 145 -8.703 24.049 9.558 1082 HE21 GLN 145 1HE2 GLN 145 -8.966 25.151 11.416 1083 HE22 GLN 145 2HE2 GLN 145 -7.781 26.202 12.104 1084 H MET 146 H MET 146 -4.785 21.476 8.726 1085 HA MET 146 HA MET 146 -4.404 23.250 6.550 1086 HB2 MET 146 2HB MET 146 -2.574 21.193 7.794 1087 HB3 MET 146 3HB MET 146 -2.066 22.332 6.554 1088 HG2 MET 146 2HG MET 146 -2.699 24.188 8.063 1089 HG3 MET 146 3HG MET 146 -3.068 22.999 9.310 1090 HE1 MET 146 1HE MET 146 0.386 25.156 9.757 1091 HE2 MET 146 2HE MET 146 -0.071 25.315 8.062 1092 HE3 MET 146 3HE MET 146 -1.291 25.490 9.324 1093 H ARG 147 H ARG 147 -4.425 19.713 6.804 1094 HA ARG 147 HA ARG 147 -3.665 19.055 4.227 1095 HB2 ARG 147 2HB ARG 147 -5.628 17.688 6.070 1096 HB3 ARG 147 3HB ARG 147 -5.048 16.979 4.569 1097 HG2 ARG 147 2HG ARG 147 -2.917 17.908 6.339 1098 HG3 ARG 147 3HG ARG 147 -3.919 16.624 7.021 1099 HD2 ARG 147 2HD ARG 147 -1.996 15.716 5.815 1100 HD3 ARG 147 3HD ARG 147 -3.516 15.247 5.055 1101 HE ARG 147 HE ARG 147 -2.368 17.614 3.915 1102 HH11 ARG 147 1HH1 ARG 147 -2.336 14.133 3.875 1103 HH12 ARG 147 2HH1 ARG 147 -1.743 14.027 2.250 1104 HH21 ARG 147 1HH2 ARG 147 -1.586 17.488 1.776 1105 HH22 ARG 147 2HH2 ARG 147 -1.316 15.936 1.058 1106 H GLY 148 H GLY 148 -6.901 19.841 5.455 1107 HA2 GLY 148 2HA GLY 148 -8.233 19.404 2.980 1108 HA3 GLY 148 3HA GLY 148 -8.872 20.289 4.357 1109 H LYS 149 H LYS 149 -7.597 22.480 4.672 1110 HA LYS 149 HA LYS 149 -8.266 24.104 2.478 1111 HB2 LYS 149 2HB LYS 149 -7.344 25.928 3.731 1112 HB3 LYS 149 3HB LYS 149 -8.143 24.847 4.865 1113 HG2 LYS 149 2HG LYS 149 -6.268 24.968 6.054 1114 HG3 LYS 149 3HG LYS 149 -5.569 23.896 4.837 1115 HD2 LYS 149 2HD LYS 149 -4.758 25.816 3.584 1116 HD3 LYS 149 3HD LYS 149 -5.511 26.913 4.743 1117 HE2 LYS 149 2HE LYS 149 -3.960 25.229 6.307 1118 HE3 LYS 149 3HE LYS 149 -2.969 25.522 4.879 1119 HZ1 LYS 149 1HZ LYS 149 -2.429 27.241 6.325 1120 HZ2 LYS 149 2HZ LYS 149 -4.030 27.485 6.813 1121 HZ3 LYS 149 3HZ LYS 149 -3.536 27.960 5.266 Start of MODEL 3 1 H1 MET 1 H MET 1 0.430 0.750 0.819 2 HA MET 1 HA MET 1 1.734 -0.393 -1.018 3 HB2 MET 1 2HB MET 1 -0.644 -0.798 -2.092 4 HB3 MET 1 3HB MET 1 -0.319 0.748 -2.863 5 HG2 MET 1 2HG MET 1 2.013 -0.640 -3.268 6 HG3 MET 1 3HG MET 1 0.776 -1.886 -3.415 7 HE1 MET 1 1HE MET 1 1.452 1.912 -5.627 8 HE2 MET 1 2HE MET 1 2.471 1.050 -4.474 9 HE3 MET 1 3HE MET 1 2.537 0.640 -6.189 10 H ALA 2 H ALA 2 -0.250 2.473 -1.789 11 HA ALA 2 HA ALA 2 2.220 4.076 -1.752 12 HB1 ALA 2 1HB ALA 2 1.421 3.557 -4.072 13 HB2 ALA 2 2HB ALA 2 -0.029 4.494 -3.710 14 HB3 ALA 2 3HB ALA 2 1.552 5.275 -3.695 15 H ALA 3 H ALA 3 2.103 6.037 -0.774 16 HA ALA 3 HA ALA 3 -0.487 6.748 0.435 17 HB1 ALA 3 1HB ALA 3 2.287 7.456 1.385 18 HB2 ALA 3 2HB ALA 3 0.771 7.856 2.195 19 HB3 ALA 3 3HB ALA 3 1.272 6.172 2.043 20 H LEU 4 H LEU 4 -1.017 9.002 0.633 21 HA LEU 4 HA LEU 4 -0.770 10.460 -1.713 22 HB2 LEU 4 2HB LEU 4 -1.649 12.360 -0.447 23 HB3 LEU 4 3HB LEU 4 -2.534 10.873 -0.115 24 HG LEU 4 HG LEU 4 -0.677 10.911 1.901 25 HD11 LEU 4 1HD1 LEU 4 -0.094 13.247 1.100 26 HD12 LEU 4 2HD1 LEU 4 -0.503 13.072 2.806 27 HD13 LEU 4 3HD1 LEU 4 -1.688 13.731 1.678 28 HD21 LEU 4 1HD2 LEU 4 -2.724 10.377 2.672 29 HD22 LEU 4 2HD2 LEU 4 -3.543 11.503 1.590 30 HD23 LEU 4 3HD2 LEU 4 -2.802 12.091 3.079 31 H THR 5 H THR 5 1.160 10.596 1.235 32 HA THR 5 HA THR 5 2.631 12.888 0.804 33 HB THR 5 HB THR 5 4.423 11.870 2.139 34 HG1 THR 5 HG1 THR 5 4.302 9.748 1.235 35 HG21 THR 5 1HG2 THR 5 1.582 11.428 3.015 36 HG22 THR 5 2HG2 THR 5 2.686 12.728 3.466 37 HG23 THR 5 3HG2 THR 5 2.943 11.097 4.086 38 H ASP 6 H ASP 6 3.234 9.629 -0.457 39 HA ASP 6 HA ASP 6 5.674 10.124 -1.716 40 HB2 ASP 6 2HB ASP 6 4.283 7.910 -1.381 41 HB3 ASP 6 3HB ASP 6 3.681 8.294 -2.991 42 H GLU 7 H GLU 7 2.368 10.422 -2.981 43 HA GLU 7 HA GLU 7 3.089 11.203 -5.586 44 HB2 GLU 7 2HB GLU 7 0.760 10.539 -4.443 45 HB3 GLU 7 3HB GLU 7 0.587 12.288 -4.408 46 HG2 GLU 7 2HG GLU 7 0.712 12.452 -6.751 47 HG3 GLU 7 3HG GLU 7 1.298 10.797 -6.912 48 H GLN 8 H GLN 8 2.659 13.011 -2.611 49 HA GLN 8 HA GLN 8 2.616 15.598 -3.728 50 HB2 GLN 8 2HB GLN 8 2.082 14.795 -1.311 51 HB3 GLN 8 3HB GLN 8 3.803 15.023 -1.034 52 HG2 GLN 8 2HG GLN 8 3.473 17.178 -0.703 53 HG3 GLN 8 3HG GLN 8 2.822 17.339 -2.333 54 HE21 GLN 8 1HE2 GLN 8 0.866 18.152 -2.434 55 HE22 GLN 8 2HE2 GLN 8 -0.353 18.041 -1.214 56 H ILE 9 H ILE 9 5.302 13.823 -2.192 57 HA ILE 9 HA ILE 9 7.288 15.712 -2.796 58 HB ILE 9 HB ILE 9 8.903 13.851 -2.433 59 HG12 ILE 9 2HG1 ILE 9 6.386 12.206 -2.091 60 HG13 ILE 9 3HG1 ILE 9 7.561 12.033 -3.390 61 HG21 ILE 9 1HG2 ILE 9 8.358 13.518 -0.082 62 HG22 ILE 9 2HG2 ILE 9 8.043 15.182 -0.570 63 HG23 ILE 9 3HG2 ILE 9 6.703 14.051 -0.380 64 HD11 ILE 9 1HD1 ILE 9 7.853 11.347 -0.493 65 HD12 ILE 9 2HD1 ILE 9 8.074 10.318 -1.909 66 HD13 ILE 9 3HD1 ILE 9 9.258 11.571 -1.536 67 H ARG 10 H ARG 10 5.963 13.040 -4.638 68 HA ARG 10 HA ARG 10 7.957 12.918 -6.632 69 HB2 ARG 10 2HB ARG 10 6.393 11.100 -6.364 70 HB3 ARG 10 3HB ARG 10 5.033 12.163 -6.699 71 HG2 ARG 10 2HG ARG 10 5.445 10.844 -8.639 72 HG3 ARG 10 3HG ARG 10 5.945 12.500 -8.989 73 HD2 ARG 10 2HD ARG 10 8.261 11.917 -8.622 74 HD3 ARG 10 3HD ARG 10 7.804 10.287 -8.131 75 HE ARG 10 HE ARG 10 8.018 11.295 -10.817 76 HH11 ARG 10 1HH1 ARG 10 6.586 8.878 -8.761 77 HH12 ARG 10 2HH1 ARG 10 6.342 7.743 -10.046 78 HH21 ARG 10 1HH2 ARG 10 7.702 9.809 -12.518 79 HH22 ARG 10 2HH2 ARG 10 6.977 8.272 -12.183 80 H GLU 11 H GLU 11 4.839 14.627 -6.517 81 HA GLU 11 HA GLU 11 5.074 15.817 -9.069 82 HB2 GLU 11 2HB GLU 11 3.390 16.328 -6.649 83 HB3 GLU 11 3HB GLU 11 3.403 17.510 -7.950 84 HG2 GLU 11 2HG GLU 11 3.028 15.159 -9.298 85 HG3 GLU 11 3HG GLU 11 2.129 14.895 -7.805 86 H ALA 12 H ALA 12 6.029 16.858 -5.840 87 HA ALA 12 HA ALA 12 6.702 19.512 -6.449 88 HB1 ALA 12 1HB ALA 12 7.404 17.605 -4.283 89 HB2 ALA 12 2HB ALA 12 8.373 19.070 -4.448 90 HB3 ALA 12 3HB ALA 12 6.632 19.188 -4.193 91 H PHE 13 H PHE 13 8.795 16.631 -6.257 92 HA PHE 13 HA PHE 13 11.151 17.908 -7.090 93 HB2 PHE 13 2HB PHE 13 11.286 15.763 -6.019 94 HB3 PHE 13 3HB PHE 13 10.289 15.018 -7.264 95 HD1 PHE 13 HD1 PHE 13 11.353 13.779 -8.870 96 HD2 PHE 13 HD2 PHE 13 13.471 16.946 -6.974 97 HE1 PHE 13 HE1 PHE 13 13.379 13.173 -10.129 98 HE2 PHE 13 HE2 PHE 13 15.499 16.347 -8.231 99 HZ PHE 13 HZ PHE 13 15.455 14.459 -9.811 100 H ASN 14 H ASN 14 8.530 16.419 -8.893 101 HA ASN 14 HA ASN 14 9.781 16.353 -11.416 102 HB2 ASN 14 2HB ASN 14 7.788 15.068 -11.086 103 HB3 ASN 14 3HB ASN 14 6.871 16.497 -10.618 104 HD21 ASN 14 1HD2 ASN 14 8.956 15.545 -13.333 105 HD22 ASN 14 2HD2 ASN 14 7.864 16.058 -14.569 106 H LEU 15 H LEU 15 7.699 18.789 -9.887 107 HA LEU 15 HA LEU 15 7.663 20.580 -12.064 108 HB2 LEU 15 2HB LEU 15 6.457 20.435 -9.599 109 HB3 LEU 15 3HB LEU 15 7.525 21.827 -9.428 110 HG LEU 15 HG LEU 15 5.249 22.463 -10.094 111 HD11 LEU 15 1HD1 LEU 15 7.020 22.992 -12.446 112 HD12 LEU 15 2HD1 LEU 15 7.419 23.643 -10.857 113 HD13 LEU 15 3HD1 LEU 15 5.892 24.074 -11.628 114 HD21 LEU 15 1HD2 LEU 15 5.786 21.107 -12.723 115 HD22 LEU 15 2HD2 LEU 15 4.284 21.833 -12.151 116 HD23 LEU 15 3HD2 LEU 15 4.875 20.338 -11.424 117 H PHE 16 H PHE 16 9.678 20.483 -9.136 118 HA PHE 16 HA PHE 16 11.186 22.772 -9.612 119 HB2 PHE 16 2HB PHE 16 11.822 20.208 -8.163 120 HB3 PHE 16 3HB PHE 16 12.971 21.540 -8.240 121 HD1 PHE 16 HD1 PHE 16 11.437 23.906 -7.864 122 HD2 PHE 16 HD2 PHE 16 10.917 20.085 -6.061 123 HE1 PHE 16 HE1 PHE 16 10.336 24.968 -5.937 124 HE2 PHE 16 HE2 PHE 16 9.814 21.142 -4.132 125 HZ PHE 16 HZ PHE 16 9.521 23.586 -4.069 126 H ASP 17 H ASP 17 11.745 19.437 -10.668 127 HA ASP 17 HA ASP 17 14.209 19.994 -11.977 128 HB2 ASP 17 2HB ASP 17 12.955 17.709 -11.229 129 HB3 ASP 17 3HB ASP 17 12.601 17.714 -12.954 130 H ALA 18 H ALA 18 10.876 20.268 -12.877 131 HA ALA 18 HA ALA 18 10.995 20.136 -15.643 132 HB1 ALA 18 1HB ALA 18 8.942 21.272 -15.686 133 HB2 ALA 18 2HB ALA 18 8.954 20.414 -14.145 134 HB3 ALA 18 3HB ALA 18 9.296 22.144 -14.194 135 H ASP 19 H ASP 19 12.116 22.625 -13.488 136 HA ASP 19 HA ASP 19 12.229 24.835 -15.145 137 HB2 ASP 19 2HB ASP 19 13.049 24.333 -12.620 138 HB3 ASP 19 3HB ASP 19 14.607 24.379 -13.440 139 H GLY 20 H GLY 20 14.212 21.964 -15.146 140 HA2 GLY 20 2HA GLY 20 15.513 21.187 -16.920 141 HA3 GLY 20 3HA GLY 20 15.346 22.754 -17.697 142 H SER 21 H SER 21 16.341 22.644 -14.390 143 HA SER 21 HA SER 21 19.027 23.500 -15.219 144 HB2 SER 21 2HB SER 21 18.014 23.860 -12.426 145 HB3 SER 21 3HB SER 21 19.131 24.864 -13.350 146 HG SER 21 HG SER 21 17.415 25.681 -14.507 147 H GLY 22 H GLY 22 20.854 22.830 -13.886 148 HA2 GLY 22 2HA GLY 22 20.825 20.013 -13.433 149 HA3 GLY 22 3HA GLY 22 22.168 21.102 -13.117 150 H ALA 23 H ALA 23 20.460 22.799 -11.371 151 HA ALA 23 HA ALA 23 19.832 21.039 -9.141 152 HB1 ALA 23 1HB ALA 23 21.822 21.297 -8.173 153 HB2 ALA 23 2HB ALA 23 22.297 22.560 -9.309 154 HB3 ALA 23 3HB ALA 23 21.351 22.972 -7.878 155 H ILE 24 H ILE 24 18.970 22.328 -7.254 156 HA ILE 24 HA ILE 24 17.522 24.699 -8.242 157 HB ILE 24 HB ILE 24 16.528 22.720 -6.190 158 HG12 ILE 24 2HG1 ILE 24 14.812 22.570 -8.318 159 HG13 ILE 24 3HG1 ILE 24 16.361 22.778 -9.128 160 HG21 ILE 24 1HG2 ILE 24 15.687 25.002 -5.900 161 HG22 ILE 24 2HG2 ILE 24 15.128 25.005 -7.572 162 HG23 ILE 24 3HG2 ILE 24 14.408 23.897 -6.404 163 HD11 ILE 24 1HD1 ILE 24 17.229 20.809 -8.185 164 HD12 ILE 24 2HD1 ILE 24 15.913 20.696 -7.016 165 HD13 ILE 24 3HD1 ILE 24 15.600 20.409 -8.728 166 H ASP 25 H ASP 25 17.842 26.526 -7.160 167 HA ASP 25 HA ASP 25 19.359 26.443 -4.671 168 HB2 ASP 25 2HB ASP 25 18.644 28.679 -6.567 169 HB3 ASP 25 3HB ASP 25 19.443 28.958 -5.022 170 H ALA 26 H ALA 26 18.689 28.481 -3.205 171 HA ALA 26 HA ALA 26 16.198 27.757 -2.048 172 HB1 ALA 26 1HB ALA 26 18.258 29.841 -1.484 173 HB2 ALA 26 2HB ALA 26 16.685 29.934 -0.692 174 HB3 ALA 26 3HB ALA 26 17.700 28.508 -0.473 175 H GLU 27 H GLU 27 17.284 30.543 -3.951 176 HA GLU 27 HA GLU 27 14.969 32.089 -3.775 177 HB2 GLU 27 2HB GLU 27 15.732 33.118 -5.911 178 HB3 GLU 27 3HB GLU 27 16.989 33.025 -4.686 179 HG2 GLU 27 2HG GLU 27 17.675 30.843 -5.853 180 HG3 GLU 27 3HG GLU 27 16.686 31.422 -7.193 181 H GLU 28 H GLU 28 15.842 29.538 -6.073 182 HA GLU 28 HA GLU 28 13.559 29.783 -7.712 183 HB2 GLU 28 2HB GLU 28 15.863 28.350 -7.856 184 HB3 GLU 28 3HB GLU 28 14.722 27.086 -7.419 185 HG2 GLU 28 2HG GLU 28 15.016 27.272 -9.837 186 HG3 GLU 28 3HG GLU 28 13.356 27.600 -9.343 187 H MET 29 H MET 29 14.276 27.629 -4.977 188 HA MET 29 HA MET 29 11.923 26.151 -4.987 189 HB2 MET 29 2HB MET 29 14.161 26.246 -3.408 190 HB3 MET 29 3HB MET 29 12.918 26.826 -2.308 191 HG2 MET 29 2HG MET 29 12.096 24.789 -2.027 192 HG3 MET 29 3HG MET 29 12.026 24.502 -3.764 193 HE1 MET 29 1HE MET 29 15.569 25.191 -1.789 194 HE2 MET 29 2HE MET 29 14.236 24.773 -0.712 195 HE3 MET 29 3HE MET 29 15.552 23.628 -0.973 196 H ALA 30 H ALA 30 12.644 29.192 -3.295 197 HA ALA 30 HA ALA 30 10.146 29.468 -2.034 198 HB1 ALA 30 1HB ALA 30 11.238 32.036 -2.642 199 HB2 ALA 30 2HB ALA 30 11.185 31.188 -1.096 200 HB3 ALA 30 3HB ALA 30 12.544 30.940 -2.192 201 H LEU 31 H LEU 31 11.354 30.686 -5.139 202 HA LEU 31 HA LEU 31 9.159 32.240 -5.861 203 HB2 LEU 31 2HB LEU 31 11.545 31.537 -7.015 204 HB3 LEU 31 3HB LEU 31 10.368 30.765 -8.075 205 HG LEU 31 HG LEU 31 10.956 32.920 -8.966 206 HD11 LEU 31 1HD1 LEU 31 8.398 32.051 -8.532 207 HD12 LEU 31 2HD1 LEU 31 8.862 33.387 -9.584 208 HD13 LEU 31 3HD1 LEU 31 8.346 33.708 -7.929 209 HD21 LEU 31 1HD2 LEU 31 11.561 33.802 -6.615 210 HD22 LEU 31 2HD2 LEU 31 9.865 34.279 -6.531 211 HD23 LEU 31 3HD2 LEU 31 10.902 34.927 -7.803 212 H ALA 32 H ALA 32 9.777 28.793 -6.415 213 HA ALA 32 HA ALA 32 7.425 28.294 -7.903 214 HB1 ALA 32 1HB ALA 32 8.446 26.348 -8.192 215 HB2 ALA 32 2HB ALA 32 9.655 26.804 -6.992 216 HB3 ALA 32 3HB ALA 32 8.196 25.950 -6.492 217 H MET 33 H MET 33 8.199 27.726 -4.470 218 HA MET 33 HA MET 33 5.790 26.656 -3.650 219 HB2 MET 33 2HB MET 33 7.757 28.421 -2.201 220 HB3 MET 33 3HB MET 33 6.353 27.727 -1.402 221 HG2 MET 33 2HG MET 33 7.168 25.475 -2.062 222 HG3 MET 33 3HG MET 33 8.628 26.239 -2.685 223 HE1 MET 33 1HE MET 33 10.476 26.680 -1.665 224 HE2 MET 33 2HE MET 33 10.219 27.964 -0.484 225 HE3 MET 33 3HE MET 33 10.919 26.426 0.024 226 H LYS 34 H LYS 34 6.676 30.041 -4.097 227 HA LYS 34 HA LYS 34 4.272 31.111 -3.013 228 HB2 LYS 34 2HB LYS 34 6.527 32.293 -3.378 229 HB3 LYS 34 3HB LYS 34 6.008 32.494 -5.046 230 HG2 LYS 34 2HG LYS 34 3.993 33.679 -4.228 231 HG3 LYS 34 3HG LYS 34 4.639 33.565 -2.589 232 HD2 LYS 34 2HD LYS 34 6.480 34.673 -4.603 233 HD3 LYS 34 3HD LYS 34 5.061 35.661 -4.249 234 HE2 LYS 34 2HE LYS 34 6.771 34.516 -2.063 235 HE3 LYS 34 3HE LYS 34 7.179 36.040 -2.850 236 HZ1 LYS 34 1HZ LYS 34 4.498 35.586 -1.699 237 HZ2 LYS 34 2HZ LYS 34 5.262 37.053 -2.053 238 HZ3 LYS 34 3HZ LYS 34 5.782 36.125 -0.737 239 H GLY 35 H GLY 35 5.403 30.617 -6.357 240 HA2 GLY 35 2HA GLY 35 3.185 31.589 -7.705 241 HA3 GLY 35 3HA GLY 35 4.232 30.312 -8.308 242 H LEU 36 H LEU 36 3.650 28.440 -6.199 243 HA LEU 36 HA LEU 36 1.185 27.385 -7.263 244 HB2 LEU 36 2HB LEU 36 3.186 26.365 -5.265 245 HB3 LEU 36 3HB LEU 36 1.693 25.504 -5.633 246 HG LEU 36 HG LEU 36 3.480 26.212 -7.901 247 HD11 LEU 36 1HD1 LEU 36 4.148 24.281 -5.727 248 HD12 LEU 36 2HD1 LEU 36 5.202 25.366 -6.633 249 HD13 LEU 36 3HD1 LEU 36 4.580 23.901 -7.394 250 HD21 LEU 36 1HD2 LEU 36 1.633 23.952 -7.180 251 HD22 LEU 36 2HD2 LEU 36 2.721 23.885 -8.566 252 HD23 LEU 36 3HD2 LEU 36 1.471 25.127 -8.485 253 H GLY 37 H GLY 37 2.221 29.076 -4.421 254 HA2 GLY 37 2HA GLY 37 1.013 29.977 -2.685 255 HA3 GLY 37 3HA GLY 37 -0.442 29.581 -3.588 256 H PHE 38 H PHE 38 1.738 27.008 -2.912 257 HA PHE 38 HA PHE 38 0.100 26.160 -0.622 258 HB2 PHE 38 2HB PHE 38 -0.329 25.049 -3.000 259 HB3 PHE 38 3HB PHE 38 1.069 24.086 -2.533 260 HD1 PHE 38 HD1 PHE 38 0.975 22.810 -0.356 261 HD2 PHE 38 HD2 PHE 38 -2.453 24.581 -2.152 262 HE1 PHE 38 HE1 PHE 38 -0.479 21.351 0.990 263 HE2 PHE 38 HE2 PHE 38 -3.913 23.125 -0.808 264 HZ PHE 38 HZ PHE 38 -2.926 21.508 0.765 265 H GLY 39 H GLY 39 1.157 25.010 0.974 266 HA2 GLY 39 2HA GLY 39 2.934 24.353 2.269 267 HA3 GLY 39 3HA GLY 39 3.683 23.825 0.769 268 H ASP 40 H ASP 40 2.794 27.090 1.839 269 HA ASP 40 HA ASP 40 5.424 28.047 1.107 270 HB2 ASP 40 2HB ASP 40 3.158 29.252 0.741 271 HB3 ASP 40 3HB ASP 40 3.303 29.711 2.435 272 H LEU 41 H LEU 41 7.042 27.732 2.489 273 HA LEU 41 HA LEU 41 6.516 27.941 5.370 274 HB2 LEU 41 2HB LEU 41 8.582 26.538 3.735 275 HB3 LEU 41 3HB LEU 41 8.948 26.979 5.402 276 HG LEU 41 HG LEU 41 8.208 24.652 5.199 277 HD11 LEU 41 1HD1 LEU 41 7.786 25.875 7.267 278 HD12 LEU 41 2HD1 LEU 41 6.506 24.708 6.944 279 HD13 LEU 41 3HD1 LEU 41 6.233 26.422 6.634 280 HD21 LEU 41 1HD2 LEU 41 6.538 25.466 3.274 281 HD22 LEU 41 2HD2 LEU 41 5.417 25.447 4.635 282 HD23 LEU 41 3HD2 LEU 41 6.294 23.981 4.194 283 HA PRO 42 HA PRO 42 8.787 31.667 5.830 284 HB2 PRO 42 2HB PRO 42 10.088 31.259 8.178 285 HB3 PRO 42 3HB PRO 42 8.346 31.541 8.082 286 HG2 PRO 42 2HG PRO 42 9.835 28.959 8.362 287 HG3 PRO 42 3HG PRO 42 8.366 29.500 9.196 288 HD2 PRO 42 2HD PRO 42 8.304 27.797 7.091 289 HD3 PRO 42 3HD PRO 42 7.007 28.965 7.413 290 H ARG 43 H ARG 43 10.985 32.591 6.120 291 HA ARG 43 HA ARG 43 12.836 31.401 4.388 292 HB2 ARG 43 2HB ARG 43 14.411 33.137 5.204 293 HB3 ARG 43 3HB ARG 43 12.841 33.788 4.753 294 HG2 ARG 43 2HG ARG 43 12.940 34.849 6.712 295 HG3 ARG 43 3HG ARG 43 12.493 33.290 7.409 296 HD2 ARG 43 2HD ARG 43 15.024 32.820 7.433 297 HD3 ARG 43 3HD ARG 43 15.202 34.559 7.207 298 HE ARG 43 HE ARG 43 13.460 34.106 9.354 299 HH11 ARG 43 1HH1 ARG 43 16.817 33.717 8.514 300 HH12 ARG 43 2HH1 ARG 43 17.379 33.886 10.144 301 HH21 ARG 43 1HH2 ARG 43 14.188 34.329 11.504 302 HH22 ARG 43 2HH2 ARG 43 15.883 34.233 11.845 303 H ASP 44 H ASP 44 12.608 31.396 7.908 304 HA ASP 44 HA ASP 44 15.083 30.269 8.516 305 HB2 ASP 44 2HB ASP 44 14.192 29.760 10.653 306 HB3 ASP 44 3HB ASP 44 13.349 31.214 10.125 307 H GLU 45 H GLU 45 12.078 28.767 7.477 308 HA GLU 45 HA GLU 45 12.862 26.088 7.976 309 HB2 GLU 45 2HB GLU 45 10.501 27.038 7.549 310 HB3 GLU 45 3HB GLU 45 10.906 26.904 5.843 311 HG2 GLU 45 2HG GLU 45 11.228 24.545 7.642 312 HG3 GLU 45 3HG GLU 45 9.635 24.983 7.027 313 H VAL 46 H VAL 46 13.249 28.265 5.254 314 HA VAL 46 HA VAL 46 14.109 26.306 3.383 315 HB VAL 46 HB VAL 46 14.767 29.252 3.359 316 HG11 VAL 46 1HG1 VAL 46 14.785 27.087 1.280 317 HG12 VAL 46 2HG1 VAL 46 14.682 28.794 0.845 318 HG13 VAL 46 3HG1 VAL 46 16.081 28.192 1.735 319 HG21 VAL 46 1HG2 VAL 46 12.249 27.802 2.832 320 HG22 VAL 46 2HG2 VAL 46 12.513 29.462 3.364 321 HG23 VAL 46 3HG2 VAL 46 12.698 29.042 1.661 322 H GLU 47 H GLU 47 15.884 28.677 5.361 323 HA GLU 47 HA GLU 47 18.458 27.875 4.554 324 HB2 GLU 47 2HB GLU 47 19.231 29.049 6.606 325 HB3 GLU 47 3HB GLU 47 18.136 30.009 5.621 326 HG2 GLU 47 2HG GLU 47 16.292 29.430 7.132 327 HG3 GLU 47 3HG GLU 47 17.418 28.515 8.133 328 H ARG 48 H ARG 48 16.376 26.821 7.201 329 HA ARG 48 HA ARG 48 18.279 25.182 8.495 330 HB2 ARG 48 2HB ARG 48 16.124 25.992 9.491 331 HB3 ARG 48 3HB ARG 48 15.279 24.828 8.479 332 HG2 ARG 48 2HG ARG 48 17.358 23.486 9.898 333 HG3 ARG 48 3HG ARG 48 16.394 24.435 11.033 334 HD2 ARG 48 2HD ARG 48 14.572 23.140 10.762 335 HD3 ARG 48 3HD ARG 48 14.844 22.948 9.030 336 HE ARG 48 HE ARG 48 15.830 20.947 9.481 337 HH11 ARG 48 1HH1 ARG 48 15.961 22.909 12.354 338 HH12 ARG 48 2HH1 ARG 48 16.656 21.660 13.333 339 HH21 ARG 48 1HH2 ARG 48 16.745 19.294 10.760 340 HH22 ARG 48 2HH2 ARG 48 17.103 19.604 12.425 341 H THR 49 H THR 49 15.785 24.478 6.071 342 HA THR 49 HA THR 49 16.203 21.703 5.935 343 HB THR 49 HB THR 49 15.210 21.937 3.594 344 HG1 THR 49 HG1 THR 49 15.554 23.980 2.965 345 HG21 THR 49 1HG2 THR 49 12.976 22.764 4.560 346 HG22 THR 49 2HG2 THR 49 13.845 22.910 6.087 347 HG23 THR 49 3HG2 THR 49 13.712 21.341 5.295 348 H VAL 50 H VAL 50 17.602 24.370 4.059 349 HA VAL 50 HA VAL 50 19.118 22.775 2.298 350 HB VAL 50 HB VAL 50 19.669 25.598 3.223 351 HG11 VAL 50 1HG1 VAL 50 20.837 25.721 0.977 352 HG12 VAL 50 2HG1 VAL 50 21.653 24.789 2.233 353 HG13 VAL 50 3HG1 VAL 50 20.767 23.960 0.953 354 HG21 VAL 50 1HG2 VAL 50 17.521 24.595 1.743 355 HG22 VAL 50 2HG2 VAL 50 18.003 26.283 1.918 356 HG23 VAL 50 3HG2 VAL 50 18.604 25.331 0.561 357 H ARG 51 H ARG 51 19.856 24.198 5.447 358 HA ARG 51 HA ARG 51 22.598 23.552 5.493 359 HB2 ARG 51 2HB ARG 51 21.188 25.102 7.049 360 HB3 ARG 51 3HB ARG 51 20.931 23.635 7.984 361 HG2 ARG 51 2HG ARG 51 23.726 24.074 7.295 362 HG3 ARG 51 3HG ARG 51 23.028 25.375 8.263 363 HD2 ARG 51 2HD ARG 51 22.365 22.649 9.148 364 HD3 ARG 51 3HD ARG 51 24.066 23.091 9.285 365 HE ARG 51 HE ARG 51 22.542 25.173 10.351 366 HH11 ARG 51 1HH1 ARG 51 23.287 21.840 11.023 367 HH12 ARG 51 2HH1 ARG 51 23.088 22.005 12.736 368 HH21 ARG 51 1HH2 ARG 51 22.277 25.403 12.604 369 HH22 ARG 51 2HH2 ARG 51 22.513 24.032 13.634 370 H SER 52 H SER 52 19.733 21.808 6.630 371 HA SER 52 HA SER 52 21.119 19.653 7.816 372 HB2 SER 52 2HB SER 52 18.308 19.859 6.719 373 HB3 SER 52 3HB SER 52 18.913 18.455 7.598 374 HG SER 52 HG SER 52 17.768 20.296 8.767 375 H MET 53 H MET 53 19.653 20.043 4.603 376 HA MET 53 HA MET 53 20.336 17.470 3.658 377 HB2 MET 53 2HB MET 53 19.813 20.016 2.114 378 HB3 MET 53 3HB MET 53 19.875 18.404 1.415 379 HG2 MET 53 2HG MET 53 17.864 17.782 2.314 380 HG3 MET 53 3HG MET 53 17.985 18.925 3.649 381 HE1 MET 53 1HE MET 53 15.563 18.671 2.954 382 HE2 MET 53 2HE MET 53 14.889 20.229 2.476 383 HE3 MET 53 3HE MET 53 15.007 18.920 1.299 384 H ASN 54 H ASN 54 21.724 20.580 2.594 385 HA ASN 54 HA ASN 54 24.148 19.214 1.767 386 HB2 ASN 54 2HB ASN 54 22.847 21.223 0.603 387 HB3 ASN 54 3HB ASN 54 23.898 22.183 1.640 388 HD21 ASN 54 1HD2 ASN 54 24.962 23.019 -0.167 389 HD22 ASN 54 2HD2 ASN 54 26.106 22.083 -1.060 390 H THR 55 H THR 55 25.355 18.659 3.508 391 HA THR 55 HA THR 55 25.633 19.986 5.910 392 HB THR 55 HB THR 55 26.506 17.736 5.579 393 HG1 THR 55 HG1 THR 55 28.150 18.034 6.954 394 HG21 THR 55 1HG2 THR 55 28.589 17.343 4.364 395 HG22 THR 55 2HG2 THR 55 28.655 19.046 3.908 396 HG23 THR 55 3HG2 THR 55 27.361 18.017 3.294 397 H ASN 56 H ASN 56 27.258 20.583 2.857 398 HA ASN 56 HA ASN 56 28.758 22.785 4.104 399 HB2 ASN 56 2HB ASN 56 29.245 21.480 1.418 400 HB3 ASN 56 3HB ASN 56 30.270 22.677 2.205 401 HD21 ASN 56 1HD2 ASN 56 30.695 21.914 4.633 402 HD22 ASN 56 2HD2 ASN 56 31.350 20.319 4.736 403 H ALA 57 H ALA 57 27.478 24.544 4.022 404 HA ALA 57 HA ALA 57 25.588 25.113 2.023 405 HB1 ALA 57 1HB ALA 57 25.018 26.681 3.482 406 HB2 ALA 57 2HB ALA 57 26.448 26.288 4.438 407 HB3 ALA 57 3HB ALA 57 26.534 27.537 3.196 408 H ASN 58 H ASN 58 26.318 25.086 -0.051 409 HA ASN 58 HA ASN 58 28.406 27.048 -0.742 410 HB2 ASN 58 2HB ASN 58 28.442 24.282 -1.193 411 HB3 ASN 58 3HB ASN 58 28.057 24.997 -2.756 412 HD21 ASN 58 1HD2 ASN 58 29.889 24.896 -3.863 413 HD22 ASN 58 2HD2 ASN 58 31.415 25.510 -3.335 414 H GLY 59 H GLY 59 25.276 26.877 -0.693 415 HA2 GLY 59 2HA GLY 59 23.670 28.079 -1.837 416 HA3 GLY 59 3HA GLY 59 24.919 28.599 -2.958 417 H LEU 60 H LEU 60 24.537 25.215 -2.405 418 HA LEU 60 HA LEU 60 22.863 24.903 -4.782 419 HB2 LEU 60 2HB LEU 60 25.567 24.726 -5.001 420 HB3 LEU 60 3HB LEU 60 25.138 23.051 -4.665 421 HG LEU 60 HG LEU 60 23.375 23.617 -6.632 422 HD11 LEU 60 1HD1 LEU 60 24.426 25.901 -6.837 423 HD12 LEU 60 2HD1 LEU 60 24.343 24.954 -8.322 424 HD13 LEU 60 3HD1 LEU 60 25.868 25.088 -7.447 425 HD21 LEU 60 1HD2 LEU 60 25.314 21.848 -6.286 426 HD22 LEU 60 2HD2 LEU 60 26.117 22.859 -7.488 427 HD23 LEU 60 3HD2 LEU 60 24.564 22.109 -7.860 428 H ILE 61 H ILE 61 21.532 23.160 -4.718 429 HA ILE 61 HA ILE 61 21.836 21.338 -2.420 430 HB ILE 61 HB ILE 61 19.219 22.151 -3.682 431 HG12 ILE 61 2HG1 ILE 61 20.483 23.135 -1.114 432 HG13 ILE 61 3HG1 ILE 61 20.293 24.079 -2.588 433 HG21 ILE 61 1HG2 ILE 61 19.189 21.146 -0.958 434 HG22 ILE 61 2HG2 ILE 61 18.241 20.647 -2.358 435 HG23 ILE 61 3HG2 ILE 61 19.853 19.980 -2.101 436 HD11 ILE 61 1HD1 ILE 61 17.740 23.173 -2.033 437 HD12 ILE 61 2HD1 ILE 61 18.415 23.582 -0.455 438 HD13 ILE 61 3HD1 ILE 61 18.377 24.790 -1.739 439 H GLU 62 H GLU 62 21.840 19.208 -2.822 440 HA GLU 62 HA GLU 62 21.696 18.340 -5.589 441 HB2 GLU 62 2HB GLU 62 22.269 16.636 -3.167 442 HB3 GLU 62 3HB GLU 62 22.667 16.289 -4.844 443 HG2 GLU 62 2HG GLU 62 24.032 18.547 -4.591 444 HG3 GLU 62 3HG GLU 62 24.020 18.062 -2.896 445 H TYR 63 H TYR 63 20.212 16.940 -6.439 446 HA TYR 63 HA TYR 63 17.615 16.938 -5.397 447 HB2 TYR 63 2HB TYR 63 17.096 15.312 -7.162 448 HB3 TYR 63 3HB TYR 63 18.089 16.627 -7.781 449 HD1 TYR 63 HD1 TYR 63 17.947 13.057 -7.038 450 HD2 TYR 63 HD2 TYR 63 20.425 16.236 -8.400 451 HE1 TYR 63 HE1 TYR 63 19.566 11.418 -7.900 452 HE2 TYR 63 HE2 TYR 63 22.050 14.606 -9.267 453 HH TYR 63 HH TYR 63 21.345 11.268 -9.527 454 H GLY 64 H GLY 64 20.207 14.556 -5.181 455 HA2 GLY 64 2HA GLY 64 18.721 12.436 -4.093 456 HA3 GLY 64 3HA GLY 64 20.449 12.680 -3.883 457 H GLU 65 H GLU 65 20.664 14.912 -2.418 458 HA GLU 65 HA GLU 65 19.968 14.033 0.180 459 HB2 GLU 65 2HB GLU 65 20.899 16.776 -0.682 460 HB3 GLU 65 3HB GLU 65 20.939 16.133 0.953 461 HG2 GLU 65 2HG GLU 65 22.450 14.947 -1.360 462 HG3 GLU 65 3HG GLU 65 23.127 16.110 -0.222 463 H PHE 66 H PHE 66 18.490 16.244 -2.082 464 HA PHE 66 HA PHE 66 16.777 17.597 -0.309 465 HB2 PHE 66 2HB PHE 66 17.211 18.354 -2.613 466 HB3 PHE 66 3HB PHE 66 16.341 16.955 -3.234 467 HD1 PHE 66 HD1 PHE 66 14.030 17.023 -3.532 468 HD2 PHE 66 HD2 PHE 66 15.939 20.018 -1.185 469 HE1 PHE 66 HE1 PHE 66 11.925 18.294 -3.448 470 HE2 PHE 66 HE2 PHE 66 13.837 21.294 -1.097 471 HZ PHE 66 HZ PHE 66 11.826 20.432 -2.228 472 H GLU 67 H GLU 67 16.037 14.877 -2.498 473 HA GLU 67 HA GLU 67 13.463 14.403 -1.457 474 HB2 GLU 67 2HB GLU 67 13.574 12.266 -2.654 475 HB3 GLU 67 3HB GLU 67 14.143 13.593 -3.657 476 HG2 GLU 67 2HG GLU 67 16.486 12.931 -2.932 477 HG3 GLU 67 3HG GLU 67 15.755 11.450 -2.316 478 H ARG 68 H ARG 68 16.630 13.073 -0.657 479 HA ARG 68 HA ARG 68 15.821 11.003 1.031 480 HB2 ARG 68 2HB ARG 68 18.158 11.476 0.170 481 HB3 ARG 68 3HB ARG 68 18.288 12.691 1.435 482 HG2 ARG 68 2HG ARG 68 17.461 10.499 2.836 483 HG3 ARG 68 3HG ARG 68 18.489 9.785 1.592 484 HD2 ARG 68 2HD ARG 68 20.298 11.309 2.214 485 HD3 ARG 68 3HD ARG 68 19.268 12.030 3.450 486 HE ARG 68 HE ARG 68 19.332 9.343 4.021 487 HH11 ARG 68 1HH1 ARG 68 21.671 11.901 3.697 488 HH12 ARG 68 2HH1 ARG 68 22.779 11.209 4.835 489 HH21 ARG 68 1HH2 ARG 68 20.782 8.422 5.522 490 HH22 ARG 68 2HH2 ARG 68 22.273 9.230 5.872 491 H MET 69 H MET 69 16.462 14.416 1.739 492 HA MET 69 HA MET 69 16.021 14.200 4.536 493 HB2 MET 69 2HB MET 69 17.288 16.048 3.457 494 HB3 MET 69 3HB MET 69 15.780 16.650 2.782 495 HG2 MET 69 2HG MET 69 16.293 17.946 4.704 496 HG3 MET 69 3HG MET 69 14.921 16.913 5.098 497 HE1 MET 69 1HE MET 69 18.879 15.669 5.165 498 HE2 MET 69 2HE MET 69 18.641 17.416 5.176 499 HE3 MET 69 3HE MET 69 19.213 16.595 6.629 500 H VAL 70 H VAL 70 13.971 15.299 1.848 501 HA VAL 70 HA VAL 70 11.719 16.042 3.277 502 HB VAL 70 HB VAL 70 11.800 14.706 0.568 503 HG11 VAL 70 1HG1 VAL 70 9.637 16.189 2.031 504 HG12 VAL 70 2HG1 VAL 70 9.647 16.041 0.273 505 HG13 VAL 70 3HG1 VAL 70 9.566 14.595 1.280 506 HG21 VAL 70 1HG2 VAL 70 12.523 16.628 -0.297 507 HG22 VAL 70 2HG2 VAL 70 11.342 17.566 0.618 508 HG23 VAL 70 3HG2 VAL 70 12.887 17.136 1.352 509 H LYS 71 H LYS 71 12.659 12.832 2.112 510 HA LYS 71 HA LYS 71 10.300 11.502 2.928 511 HB2 LYS 71 2HB LYS 71 12.187 10.721 1.323 512 HB3 LYS 71 3HB LYS 71 12.984 10.159 2.786 513 HG2 LYS 71 2HG LYS 71 10.178 9.339 2.498 514 HG3 LYS 71 3HG LYS 71 11.293 8.671 1.303 515 HD2 LYS 71 2HD LYS 71 11.771 8.575 4.278 516 HD3 LYS 71 3HD LYS 71 10.993 7.277 3.368 517 HE2 LYS 71 2HE LYS 71 13.248 7.737 1.896 518 HE3 LYS 71 3HE LYS 71 13.817 8.036 3.537 519 HZ1 LYS 71 1HZ LYS 71 12.288 5.603 2.840 520 HZ2 LYS 71 2HZ LYS 71 13.263 5.879 4.194 521 HZ3 LYS 71 3HZ LYS 71 13.970 5.674 2.671 522 H SER 72 H SER 72 13.309 12.277 4.557 523 HA SER 72 HA SER 72 12.976 10.595 6.797 524 HB2 SER 72 2HB SER 72 15.101 11.789 6.091 525 HB3 SER 72 3HB SER 72 14.414 13.253 6.793 526 HG SER 72 HG SER 72 15.830 11.717 8.118 527 H ARG 73 H ARG 73 12.302 14.072 6.393 528 HA ARG 73 HA ARG 73 11.124 14.417 8.932 529 HB2 ARG 73 2HB ARG 73 10.183 16.514 7.942 530 HB3 ARG 73 3HB ARG 73 11.921 16.338 7.740 531 HG2 ARG 73 2HG ARG 73 11.604 15.624 5.441 532 HG3 ARG 73 3HG ARG 73 9.853 15.735 5.636 533 HD2 ARG 73 2HD ARG 73 11.167 18.185 6.432 534 HD3 ARG 73 3HD ARG 73 11.579 17.743 4.775 535 HE ARG 73 HE ARG 73 8.881 17.449 4.872 536 HH11 ARG 73 1HH1 ARG 73 11.067 20.043 5.654 537 HH12 ARG 73 2HH1 ARG 73 9.933 21.292 5.261 538 HH21 ARG 73 1HH2 ARG 73 7.378 19.085 4.352 539 HH22 ARG 73 2HH2 ARG 73 7.835 20.746 4.521 540 H MET 74 H MET 74 9.797 13.555 5.785 541 HA MET 74 HA MET 74 7.069 13.785 6.476 542 HB2 MET 74 2HB MET 74 8.566 12.324 4.326 543 HB3 MET 74 3HB MET 74 6.838 12.070 4.528 544 HG2 MET 74 2HG MET 74 7.758 14.872 4.403 545 HG3 MET 74 3HG MET 74 7.873 13.929 2.919 546 HE1 MET 74 1HE MET 74 4.410 16.303 3.896 547 HE2 MET 74 2HE MET 74 5.728 16.131 5.055 548 HE3 MET 74 3HE MET 74 6.073 16.600 3.390 549 H ALA 75 H ALA 75 9.437 11.262 6.935 550 HA ALA 75 HA ALA 75 7.831 9.052 7.380 551 HB1 ALA 75 1HB ALA 75 10.347 9.746 8.890 552 HB2 ALA 75 2HB ALA 75 9.651 8.139 8.677 553 HB3 ALA 75 3HB ALA 75 10.297 9.011 7.287 554 H GLN 76 H GLN 76 8.465 11.799 9.454 555 HA GLN 76 HA GLN 76 7.390 10.652 11.831 556 HB2 GLN 76 2HB GLN 76 8.925 12.503 12.002 557 HB3 GLN 76 3HB GLN 76 7.878 13.521 11.023 558 HG2 GLN 76 2HG GLN 76 7.759 14.074 13.403 559 HG3 GLN 76 3HG GLN 76 6.206 13.542 12.761 560 HE21 GLN 76 1HE2 GLN 76 9.053 11.744 13.860 561 HE22 GLN 76 2HE2 GLN 76 8.222 10.821 15.061 562 H LYS 77 H LYS 77 6.081 12.668 9.246 563 HA LYS 77 HA LYS 77 3.483 12.832 10.515 564 HB2 LYS 77 2HB LYS 77 4.787 14.017 8.135 565 HB3 LYS 77 3HB LYS 77 3.047 13.784 8.027 566 HG2 LYS 77 2HG LYS 77 3.023 15.846 8.931 567 HG3 LYS 77 3HG LYS 77 3.175 14.936 10.436 568 HD2 LYS 77 2HD LYS 77 5.617 15.220 10.337 569 HD3 LYS 77 3HD LYS 77 5.436 16.167 8.859 570 HE2 LYS 77 2HE LYS 77 5.409 17.921 10.264 571 HE3 LYS 77 3HE LYS 77 3.726 17.462 10.516 572 HZ1 LYS 77 1HZ LYS 77 6.027 16.629 12.199 573 HZ2 LYS 77 2HZ LYS 77 4.422 16.149 12.433 574 HZ3 LYS 77 3HZ LYS 77 4.854 17.775 12.616 575 H ASP 78 H ASP 78 1.543 12.003 9.600 576 HA ASP 78 HA ASP 78 1.805 9.948 7.545 577 HB2 ASP 78 2HB ASP 78 1.377 9.414 10.390 578 HB3 ASP 78 3HB ASP 78 0.147 8.692 9.357 579 H SER 79 H SER 79 -0.524 8.939 7.220 580 HA SER 79 HA SER 79 -2.152 10.952 6.201 581 HB2 SER 79 2HB SER 79 -2.306 8.056 6.522 582 HB3 SER 79 3HB SER 79 -3.886 8.829 6.645 583 HG SER 79 HG SER 79 -3.039 8.215 4.463 584 HA PRO 80 HA PRO 80 -4.605 12.475 9.502 585 HB2 PRO 80 2HB PRO 80 -7.053 12.716 8.353 586 HB3 PRO 80 3HB PRO 80 -5.699 13.782 7.961 587 HG2 PRO 80 2HG PRO 80 -6.724 11.397 6.470 588 HG3 PRO 80 3HG PRO 80 -6.202 12.971 5.841 589 HD2 PRO 80 2HD PRO 80 -4.617 10.776 5.772 590 HD3 PRO 80 3HD PRO 80 -3.967 12.418 5.958 591 H GLU 81 H GLU 81 -6.131 9.790 7.740 592 HA GLU 81 HA GLU 81 -7.873 9.076 9.882 593 HB2 GLU 81 2HB GLU 81 -7.171 7.983 7.223 594 HB3 GLU 81 3HB GLU 81 -7.763 6.818 8.400 595 HG2 GLU 81 2HG GLU 81 -9.528 8.932 8.620 596 HG3 GLU 81 3HG GLU 81 -9.199 8.828 6.891 597 H GLU 82 H GLU 82 -4.708 7.975 8.786 598 HA GLU 82 HA GLU 82 -4.480 5.716 10.436 599 HB2 GLU 82 2HB GLU 82 -2.863 7.060 8.577 600 HB3 GLU 82 3HB GLU 82 -1.939 7.043 10.073 601 HG2 GLU 82 2HG GLU 82 -2.140 4.634 10.205 602 HG3 GLU 82 3HG GLU 82 -3.141 4.619 8.754 603 H VAL 83 H VAL 83 -3.482 9.083 10.959 604 HA VAL 83 HA VAL 83 -2.306 8.715 13.482 605 HB VAL 83 HB VAL 83 -3.670 11.184 12.398 606 HG11 VAL 83 1HG1 VAL 83 -1.945 10.693 14.794 607 HG12 VAL 83 2HG1 VAL 83 -1.960 12.271 14.004 608 HG13 VAL 83 3HG1 VAL 83 -3.451 11.603 14.670 609 HG21 VAL 83 1HG2 VAL 83 -0.776 11.189 12.437 610 HG22 VAL 83 2HG2 VAL 83 -1.414 9.877 11.446 611 HG23 VAL 83 3HG2 VAL 83 -1.885 11.543 11.113 612 H LEU 84 H LEU 84 -5.634 9.427 12.532 613 HA LEU 84 HA LEU 84 -6.651 9.889 15.118 614 HB2 LEU 84 2HB LEU 84 -7.758 9.320 12.446 615 HB3 LEU 84 3HB LEU 84 -8.799 8.910 13.807 616 HG LEU 84 HG LEU 84 -7.588 11.643 13.465 617 HD11 LEU 84 1HD1 LEU 84 -8.846 11.470 11.515 618 HD12 LEU 84 2HD1 LEU 84 -9.962 12.206 12.664 619 HD13 LEU 84 3HD1 LEU 84 -10.090 10.487 12.289 620 HD21 LEU 84 1HD2 LEU 84 -8.971 10.412 15.552 621 HD22 LEU 84 2HD2 LEU 84 -10.155 11.454 14.763 622 HD23 LEU 84 3HD2 LEU 84 -8.640 12.134 15.360 623 H LYS 85 H LYS 85 -6.528 6.949 13.131 624 HA LYS 85 HA LYS 85 -7.849 5.261 14.952 625 HB2 LYS 85 2HB LYS 85 -7.535 4.643 12.617 626 HB3 LYS 85 3HB LYS 85 -5.790 4.602 12.837 627 HG2 LYS 85 2HG LYS 85 -7.358 2.871 14.635 628 HG3 LYS 85 3HG LYS 85 -7.358 2.427 12.927 629 HD2 LYS 85 2HD LYS 85 -4.715 3.142 13.945 630 HD3 LYS 85 3HD LYS 85 -5.428 1.748 14.760 631 HE2 LYS 85 2HE LYS 85 -5.489 1.915 11.777 632 HE3 LYS 85 3HE LYS 85 -4.005 1.424 12.592 633 HZ1 LYS 85 1HZ LYS 85 -6.607 0.056 12.500 634 HZ2 LYS 85 2HZ LYS 85 -5.576 -0.206 13.815 635 HZ3 LYS 85 3HZ LYS 85 -5.057 -0.573 12.247 636 H ALA 86 H ALA 86 -4.452 6.130 14.576 637 HA ALA 86 HA ALA 86 -3.388 4.259 16.394 638 HB1 ALA 86 1HB ALA 86 -1.651 6.353 16.544 639 HB2 ALA 86 2HB ALA 86 -1.633 5.111 15.292 640 HB3 ALA 86 3HB ALA 86 -2.442 6.649 14.996 641 H PHE 87 H PHE 87 -4.256 7.687 16.835 642 HA PHE 87 HA PHE 87 -3.626 7.859 19.552 643 HB2 PHE 87 2HB PHE 87 -4.045 9.837 18.184 644 HB3 PHE 87 3HB PHE 87 -5.729 9.366 17.984 645 HD1 PHE 87 HD1 PHE 87 -7.214 10.583 19.220 646 HD2 PHE 87 HD2 PHE 87 -3.351 9.811 20.831 647 HE1 PHE 87 HE1 PHE 87 -7.809 11.848 21.245 648 HE2 PHE 87 HE2 PHE 87 -3.940 11.073 22.859 649 HZ PHE 87 HZ PHE 87 -6.172 12.093 23.068 650 H GLN 88 H GLN 88 -6.690 7.039 17.961 651 HA GLN 88 HA GLN 88 -8.256 6.802 20.268 652 HB2 GLN 88 2HB GLN 88 -8.768 6.637 17.626 653 HB3 GLN 88 3HB GLN 88 -8.816 4.929 18.043 654 HG2 GLN 88 2HG GLN 88 -10.768 5.118 19.107 655 HG3 GLN 88 3HG GLN 88 -10.310 6.634 19.882 656 HE21 GLN 88 1HE2 GLN 88 -11.144 5.353 16.681 657 HE22 GLN 88 2HE2 GLN 88 -12.088 6.716 16.192 658 H LEU 89 H LEU 89 -6.291 4.405 18.554 659 HA LEU 89 HA LEU 89 -7.014 2.181 20.117 660 HB2 LEU 89 2HB LEU 89 -5.936 1.852 18.015 661 HB3 LEU 89 3HB LEU 89 -4.536 2.793 18.523 662 HG LEU 89 HG LEU 89 -5.169 0.336 20.065 663 HD11 LEU 89 1HD1 LEU 89 -3.820 0.235 17.373 664 HD12 LEU 89 2HD1 LEU 89 -5.465 -0.314 17.688 665 HD13 LEU 89 3HD1 LEU 89 -4.104 -1.111 18.476 666 HD21 LEU 89 1HD2 LEU 89 -2.464 0.949 19.080 667 HD22 LEU 89 2HD2 LEU 89 -3.010 0.479 20.690 668 HD23 LEU 89 3HD2 LEU 89 -3.173 2.153 20.158 669 H PHE 90 H PHE 90 -4.430 4.569 20.462 670 HA PHE 90 HA PHE 90 -3.114 3.343 22.631 671 HB2 PHE 90 2HB PHE 90 -2.847 5.732 21.117 672 HB3 PHE 90 3HB PHE 90 -2.880 6.187 22.817 673 HD1 PHE 90 HD1 PHE 90 -1.398 3.367 20.866 674 HD2 PHE 90 HD2 PHE 90 -0.787 6.502 23.680 675 HE1 PHE 90 HE1 PHE 90 0.962 2.708 21.082 676 HE2 PHE 90 HE2 PHE 90 1.575 5.849 23.900 677 HZ PHE 90 HZ PHE 90 2.453 3.950 22.600 678 H ASP 91 H ASP 91 -5.903 5.436 22.431 679 HA ASP 91 HA ASP 91 -6.494 4.898 25.226 680 HB2 ASP 91 2HB ASP 91 -6.632 7.751 24.283 681 HB3 ASP 91 3HB ASP 91 -6.669 7.133 25.933 682 H LEU 92 H LEU 92 -8.500 4.151 25.224 683 HA LEU 92 HA LEU 92 -10.291 4.333 23.095 684 HB2 LEU 92 2HB LEU 92 -11.996 3.557 24.727 685 HB3 LEU 92 3HB LEU 92 -10.524 2.589 24.699 686 HG LEU 92 HG LEU 92 -9.940 4.279 26.719 687 HD11 LEU 92 1HD1 LEU 92 -12.871 4.295 26.395 688 HD12 LEU 92 2HD1 LEU 92 -11.802 5.478 27.147 689 HD13 LEU 92 3HD1 LEU 92 -12.269 4.025 28.031 690 HD21 LEU 92 1HD2 LEU 92 -11.549 1.739 26.965 691 HD22 LEU 92 2HD2 LEU 92 -10.534 2.459 28.215 692 HD23 LEU 92 3HD2 LEU 92 -9.802 1.829 26.739 693 H ASP 93 H ASP 93 -9.814 6.414 25.868 694 HA ASP 93 HA ASP 93 -12.122 8.047 25.097 695 HB2 ASP 93 2HB ASP 93 -10.995 7.346 27.591 696 HB3 ASP 93 3HB ASP 93 -10.711 9.072 27.384 697 H LYS 94 H LYS 94 -11.662 10.508 25.521 698 HA LYS 94 HA LYS 94 -9.130 11.200 24.182 699 HB2 LYS 94 2HB LYS 94 -10.408 13.117 23.155 700 HB3 LYS 94 3HB LYS 94 -10.846 11.519 22.563 701 HG2 LYS 94 2HG LYS 94 -12.511 12.139 24.782 702 HG3 LYS 94 3HG LYS 94 -12.520 13.509 23.668 703 HD2 LYS 94 2HD LYS 94 -13.275 12.171 21.874 704 HD3 LYS 94 3HD LYS 94 -12.920 10.675 22.742 705 HE2 LYS 94 2HE LYS 94 -14.840 10.758 23.936 706 HE3 LYS 94 3HE LYS 94 -14.815 12.517 24.054 707 HZ1 LYS 94 1HZ LYS 94 -15.684 10.897 21.725 708 HZ2 LYS 94 2HZ LYS 94 -15.500 12.578 21.687 709 HZ3 LYS 94 3HZ LYS 94 -16.654 11.876 22.706 710 H LYS 95 H LYS 95 -8.383 11.432 26.436 711 HA LYS 95 HA LYS 95 -9.463 13.486 28.097 712 HB2 LYS 95 2HB LYS 95 -7.432 13.137 29.460 713 HB3 LYS 95 3HB LYS 95 -8.255 11.628 29.084 714 HG2 LYS 95 2HG LYS 95 -6.401 11.995 27.027 715 HG3 LYS 95 3HG LYS 95 -5.557 12.429 28.515 716 HD2 LYS 95 2HD LYS 95 -7.206 9.946 28.469 717 HD3 LYS 95 3HD LYS 95 -5.631 9.937 27.672 718 HE2 LYS 95 2HE LYS 95 -4.936 11.077 29.990 719 HE3 LYS 95 3HE LYS 95 -6.313 10.128 30.547 720 HZ1 LYS 95 1HZ LYS 95 -4.248 8.892 30.739 721 HZ2 LYS 95 2HZ LYS 95 -3.961 9.060 29.080 722 HZ3 LYS 95 3HZ LYS 95 -5.281 8.151 29.622 723 H GLY 96 H GLY 96 -6.975 13.337 25.643 724 HA2 GLY 96 2HA GLY 96 -5.891 15.031 24.523 725 HA3 GLY 96 3HA GLY 96 -6.964 16.166 25.327 726 H LYS 97 H LYS 97 -5.262 14.094 27.428 727 HA LYS 97 HA LYS 97 -3.362 16.264 28.035 728 HB2 LYS 97 2HB LYS 97 -4.369 14.189 29.982 729 HB3 LYS 97 3HB LYS 97 -3.453 15.646 30.346 730 HG2 LYS 97 2HG LYS 97 -5.355 17.014 29.641 731 HG3 LYS 97 3HG LYS 97 -6.274 15.547 29.295 732 HD2 LYS 97 2HD LYS 97 -6.130 14.890 31.639 733 HD3 LYS 97 3HD LYS 97 -5.168 16.327 31.995 734 HE2 LYS 97 2HE LYS 97 -7.533 17.152 30.655 735 HE3 LYS 97 3HE LYS 97 -7.997 16.045 31.946 736 HZ1 LYS 97 1HZ LYS 97 -6.683 18.661 32.125 737 HZ2 LYS 97 2HZ LYS 97 -6.346 17.506 33.314 738 HZ3 LYS 97 3HZ LYS 97 -7.938 18.020 33.062 739 H ILE 98 H ILE 98 -1.490 15.684 27.100 740 HA ILE 98 HA ILE 98 -0.356 13.085 27.865 741 HB ILE 98 HB ILE 98 -0.105 14.264 25.096 742 HG12 ILE 98 2HG1 ILE 98 -1.349 11.815 24.853 743 HG13 ILE 98 3HG1 ILE 98 -2.100 12.486 26.297 744 HG21 ILE 98 1HG2 ILE 98 1.795 13.029 25.262 745 HG22 ILE 98 2HG2 ILE 98 1.129 11.968 26.503 746 HG23 ILE 98 3HG2 ILE 98 0.681 11.738 24.813 747 HD11 ILE 98 1HD1 ILE 98 -3.334 12.986 24.227 748 HD12 ILE 98 2HD1 ILE 98 -2.799 14.436 25.077 749 HD13 ILE 98 3HD1 ILE 98 -1.937 13.887 23.640 750 H SER 99 H SER 99 1.601 13.267 28.733 751 HA SER 99 HA SER 99 2.877 15.804 28.962 752 HB2 SER 99 2HB SER 99 4.767 14.023 29.813 753 HB3 SER 99 3HB SER 99 3.463 14.650 30.821 754 HG SER 99 HG SER 99 2.516 12.763 30.774 755 H PHE 100 H PHE 100 4.475 16.684 27.799 756 HA PHE 100 HA PHE 100 5.121 15.811 25.251 757 HB2 PHE 100 2HB PHE 100 6.901 17.477 25.278 758 HB3 PHE 100 3HB PHE 100 5.458 18.123 26.051 759 HD1 PHE 100 HD1 PHE 100 8.904 17.044 26.532 760 HD2 PHE 100 HD2 PHE 100 5.395 18.500 28.452 761 HE1 PHE 100 HE1 PHE 100 10.230 17.597 28.530 762 HE2 PHE 100 HE2 PHE 100 6.715 19.056 30.452 763 HZ PHE 100 HZ PHE 100 9.136 18.605 30.493 764 H ALA 101 H ALA 101 6.715 15.162 28.315 765 HA ALA 101 HA ALA 101 9.104 14.067 27.397 766 HB1 ALA 101 1HB ALA 101 8.668 12.587 29.605 767 HB2 ALA 101 2HB ALA 101 9.232 14.259 29.640 768 HB3 ALA 101 3HB ALA 101 7.521 13.900 29.876 769 H ASN 102 H ASN 102 5.997 12.459 28.037 770 HA ASN 102 HA ASN 102 6.812 9.855 27.402 771 HB2 ASN 102 2HB ASN 102 4.360 11.196 28.029 772 HB3 ASN 102 3HB ASN 102 4.094 10.153 26.635 773 HD21 ASN 102 1HD2 ASN 102 3.411 8.218 27.152 774 HD22 ASN 102 2HD2 ASN 102 3.817 7.335 28.580 775 H LEU 103 H LEU 103 5.308 12.357 25.376 776 HA LEU 103 HA LEU 103 5.066 10.898 23.023 777 HB2 LEU 103 2HB LEU 103 4.577 13.479 23.800 778 HB3 LEU 103 3HB LEU 103 5.881 13.678 22.631 779 HG LEU 103 HG LEU 103 4.515 12.476 20.957 780 HD11 LEU 103 1HD1 LEU 103 2.043 12.302 21.519 781 HD12 LEU 103 2HD1 LEU 103 2.528 12.438 23.208 782 HD13 LEU 103 3HD1 LEU 103 3.110 11.091 22.230 783 HD21 LEU 103 1HD2 LEU 103 4.474 15.030 21.455 784 HD22 LEU 103 2HD2 LEU 103 2.835 14.706 22.020 785 HD23 LEU 103 3HD2 LEU 103 3.285 14.332 20.355 786 H LYS 104 H LYS 104 7.788 12.877 24.160 787 HA LYS 104 HA LYS 104 9.446 12.526 21.930 788 HB2 LYS 104 2HB LYS 104 9.625 13.984 24.190 789 HB3 LYS 104 3HB LYS 104 10.740 12.685 24.592 790 HG2 LYS 104 2HG LYS 104 11.040 13.952 21.933 791 HG3 LYS 104 3HG LYS 104 11.508 14.900 23.347 792 HD2 LYS 104 2HD LYS 104 12.471 12.085 22.908 793 HD3 LYS 104 3HD LYS 104 13.321 13.485 22.251 794 HE2 LYS 104 2HE LYS 104 12.605 13.490 25.138 795 HE3 LYS 104 3HE LYS 104 13.937 12.463 24.611 796 HZ1 LYS 104 1HZ LYS 104 14.567 14.729 23.387 797 HZ2 LYS 104 2HZ LYS 104 15.103 14.344 24.944 798 HZ3 LYS 104 3HZ LYS 104 13.767 15.362 24.737 799 H GLU 105 H GLU 105 9.391 10.742 25.015 800 HA GLU 105 HA GLU 105 11.412 8.932 24.503 801 HB2 GLU 105 2HB GLU 105 10.046 9.261 26.643 802 HB3 GLU 105 3HB GLU 105 8.870 8.167 25.927 803 HG2 GLU 105 2HG GLU 105 10.371 6.363 25.951 804 HG3 GLU 105 3HG GLU 105 11.754 7.414 26.248 805 H VAL 106 H VAL 106 7.967 8.660 23.687 806 HA VAL 106 HA VAL 106 8.087 6.097 22.540 807 HB VAL 106 HB VAL 106 6.190 8.332 21.810 808 HG11 VAL 106 1HG1 VAL 106 5.899 6.682 20.194 809 HG12 VAL 106 2HG1 VAL 106 6.185 5.372 21.341 810 HG13 VAL 106 3HG1 VAL 106 4.678 6.287 21.404 811 HG21 VAL 106 1HG2 VAL 106 5.260 8.128 23.815 812 HG22 VAL 106 2HG2 VAL 106 5.050 6.395 23.567 813 HG23 VAL 106 3HG2 VAL 106 6.540 7.010 24.283 814 H ALA 107 H ALA 107 8.500 9.319 21.141 815 HA ALA 107 HA ALA 107 8.609 8.597 18.445 816 HB1 ALA 107 1HB ALA 107 9.291 10.921 20.046 817 HB2 ALA 107 2HB ALA 107 10.368 10.714 18.664 818 HB3 ALA 107 3HB ALA 107 8.626 10.825 18.415 819 H LYS 108 H LYS 108 11.250 8.932 20.807 820 HA LYS 108 HA LYS 108 13.321 8.199 19.037 821 HB2 LYS 108 2HB LYS 108 13.225 7.923 22.047 822 HB3 LYS 108 3HB LYS 108 14.677 7.883 21.055 823 HG2 LYS 108 2HG LYS 108 12.854 10.259 21.039 824 HG3 LYS 108 3HG LYS 108 14.094 10.056 22.279 825 HD2 LYS 108 2HD LYS 108 15.043 9.630 19.537 826 HD3 LYS 108 3HD LYS 108 14.475 11.269 19.864 827 HE2 LYS 108 2HE LYS 108 15.934 10.988 22.033 828 HE3 LYS 108 3HE LYS 108 16.755 9.768 21.061 829 HZ1 LYS 108 1HZ LYS 108 17.858 11.859 20.796 830 HZ2 LYS 108 2HZ LYS 108 16.414 12.638 20.383 831 HZ3 LYS 108 3HZ LYS 108 17.080 11.485 19.340 832 H LEU 109 H LEU 109 11.273 6.329 21.217 833 HA LEU 109 HA LEU 109 12.643 3.873 20.947 834 HB2 LEU 109 2HB LEU 109 11.091 4.289 22.763 835 HB3 LEU 109 3HB LEU 109 9.760 4.443 21.619 836 HG LEU 109 HG LEU 109 10.970 1.891 21.249 837 HD11 LEU 109 1HD1 LEU 109 10.323 2.578 24.110 838 HD12 LEU 109 2HD1 LEU 109 11.864 2.013 23.467 839 HD13 LEU 109 3HD1 LEU 109 10.470 0.933 23.489 840 HD21 LEU 109 1HD2 LEU 109 8.505 2.960 21.111 841 HD22 LEU 109 2HD2 LEU 109 8.389 2.121 22.658 842 HD23 LEU 109 3HD2 LEU 109 8.815 1.226 21.198 843 H LEU 110 H LEU 110 10.163 5.452 19.047 844 HA LEU 110 HA LEU 110 9.389 3.219 17.497 845 HB2 LEU 110 2HB LEU 110 9.221 6.185 17.104 846 HB3 LEU 110 3HB LEU 110 8.717 5.072 15.834 847 HG LEU 110 HG LEU 110 7.559 4.971 18.608 848 HD11 LEU 110 1HD1 LEU 110 7.339 7.199 17.150 849 HD12 LEU 110 2HD1 LEU 110 6.033 6.579 18.159 850 HD13 LEU 110 3HD1 LEU 110 6.037 6.257 16.425 851 HD21 LEU 110 1HD2 LEU 110 7.389 3.086 16.819 852 HD22 LEU 110 2HD2 LEU 110 6.210 4.162 16.067 853 HD23 LEU 110 3HD2 LEU 110 5.951 3.580 17.713 854 H GLY 111 H GLY 111 12.244 5.056 17.543 855 HA2 GLY 111 2HA GLY 111 14.196 4.604 16.349 856 HA3 GLY 111 3HA GLY 111 13.266 3.583 15.262 857 H GLU 112 H GLU 112 12.038 6.734 15.882 858 HA GLU 112 HA GLU 112 12.756 7.513 13.147 859 HB2 GLU 112 2HB GLU 112 10.333 7.564 14.438 860 HB3 GLU 112 3HB GLU 112 10.875 9.228 14.607 861 HG2 GLU 112 2HG GLU 112 9.735 9.347 12.635 862 HG3 GLU 112 3HG GLU 112 11.365 9.018 12.050 863 H ASN 113 H ASN 113 13.980 9.263 12.708 864 HA ASN 113 HA ASN 113 14.864 10.904 14.991 865 HB2 ASN 113 2HB ASN 113 16.660 9.424 14.208 866 HB3 ASN 113 3HB ASN 113 16.484 10.063 12.577 867 HD21 ASN 113 1HD2 ASN 113 17.448 10.811 15.854 868 HD22 ASN 113 2HD2 ASN 113 18.428 12.178 15.458 869 HA PRO 114 HA PRO 114 12.855 13.601 11.762 870 HB2 PRO 114 2HB PRO 114 11.278 14.948 13.514 871 HB3 PRO 114 3HB PRO 114 10.790 13.428 12.754 872 HG2 PRO 114 2HG PRO 114 11.917 13.903 15.486 873 HG3 PRO 114 3HG PRO 114 10.581 12.846 14.996 874 HD2 PRO 114 2HD PRO 114 13.073 11.910 15.489 875 HD3 PRO 114 3HD PRO 114 11.999 11.175 14.282 876 H GLY 115 H GLY 115 12.713 16.059 11.837 877 HA2 GLY 115 2HA GLY 115 15.249 17.069 12.742 878 HA3 GLY 115 3HA GLY 115 14.018 17.968 11.867 879 H ASP 116 H ASP 116 15.699 18.472 14.363 880 HA ASP 116 HA ASP 116 14.167 18.519 16.662 881 HB2 ASP 116 2HB ASP 116 16.636 19.565 15.852 882 HB3 ASP 116 3HB ASP 116 15.717 20.953 16.427 883 H ASP 117 H ASP 117 14.158 20.748 13.939 884 HA ASP 117 HA ASP 117 12.616 22.798 15.044 885 HB2 ASP 117 2HB ASP 117 12.153 23.484 12.778 886 HB3 ASP 117 3HB ASP 117 13.814 22.901 12.854 887 H VAL 118 H VAL 118 11.672 19.741 13.578 888 HA VAL 118 HA VAL 118 8.885 20.291 13.479 889 HB VAL 118 HB VAL 118 10.229 17.589 13.608 890 HG11 VAL 118 1HG1 VAL 118 7.783 17.627 14.034 891 HG12 VAL 118 2HG1 VAL 118 7.557 18.366 12.447 892 HG13 VAL 118 3HG1 VAL 118 8.230 16.740 12.577 893 HG21 VAL 118 1HG2 VAL 118 11.225 18.507 11.747 894 HG22 VAL 118 2HG2 VAL 118 9.774 17.796 11.039 895 HG23 VAL 118 3HG2 VAL 118 9.835 19.527 11.372 896 H LEU 119 H LEU 119 11.033 19.043 15.933 897 HA LEU 119 HA LEU 119 9.009 17.987 17.637 898 HB2 LEU 119 2HB LEU 119 11.636 17.652 17.557 899 HB3 LEU 119 3HB LEU 119 11.592 18.956 18.742 900 HG LEU 119 HG LEU 119 11.705 16.837 19.877 901 HD11 LEU 119 1HD1 LEU 119 10.121 18.772 20.612 902 HD12 LEU 119 2HD1 LEU 119 10.055 17.213 21.435 903 HD13 LEU 119 3HD1 LEU 119 8.846 17.619 20.217 904 HD21 LEU 119 1HD2 LEU 119 9.060 16.014 18.752 905 HD22 LEU 119 2HD2 LEU 119 10.312 15.029 19.509 906 HD23 LEU 119 3HD2 LEU 119 10.547 15.654 17.876 907 H GLN 120 H GLN 120 11.006 20.935 17.872 908 HA GLN 120 HA GLN 120 9.659 22.038 20.068 909 HB2 GLN 120 2HB GLN 120 10.993 23.641 17.891 910 HB3 GLN 120 3HB GLN 120 10.809 24.068 19.587 911 HG2 GLN 120 2HG GLN 120 12.661 22.077 18.342 912 HG3 GLN 120 3HG GLN 120 13.039 23.446 19.386 913 HE21 GLN 120 1HE2 GLN 120 13.190 20.286 19.360 914 HE22 GLN 120 2HE2 GLN 120 12.826 19.906 21.005 915 H GLU 121 H GLU 121 9.176 22.492 16.585 916 HA GLU 121 HA GLU 121 7.159 24.443 16.771 917 HB2 GLU 121 2HB GLU 121 7.876 22.439 14.642 918 HB3 GLU 121 3HB GLU 121 6.527 23.549 14.448 919 HG2 GLU 121 2HG GLU 121 9.383 24.362 14.936 920 HG3 GLU 121 3HG GLU 121 8.579 24.347 13.368 921 H MET 122 H MET 122 6.979 20.907 16.529 922 HA MET 122 HA MET 122 4.212 20.643 16.384 923 HB2 MET 122 2HB MET 122 5.651 18.751 15.989 924 HB3 MET 122 3HB MET 122 6.277 18.825 17.631 925 HG2 MET 122 2HG MET 122 4.579 17.644 18.451 926 HG3 MET 122 3HG MET 122 3.384 18.554 17.530 927 HE1 MET 122 1HE MET 122 1.924 15.767 15.995 928 HE2 MET 122 2HE MET 122 2.646 15.116 17.466 929 HE3 MET 122 3HE MET 122 2.010 16.761 17.449 930 H ILE 123 H ILE 123 6.278 20.489 19.287 931 HA ILE 123 HA ILE 123 4.218 20.261 21.159 932 HB ILE 123 HB ILE 123 6.920 21.563 21.518 933 HG12 ILE 123 2HG1 ILE 123 7.008 19.218 20.727 934 HG13 ILE 123 3HG1 ILE 123 7.638 19.395 22.361 935 HG21 ILE 123 1HG2 ILE 123 6.030 22.206 23.475 936 HG22 ILE 123 2HG2 ILE 123 4.681 21.079 23.346 937 HG23 ILE 123 3HG2 ILE 123 6.245 20.517 23.935 938 HD11 ILE 123 1HD1 ILE 123 6.215 17.878 23.098 939 HD12 ILE 123 2HD1 ILE 123 4.850 18.818 22.493 940 HD13 ILE 123 3HD1 ILE 123 5.645 17.642 21.446 941 H ALA 124 H ALA 124 5.696 23.109 19.697 942 HA ALA 124 HA ALA 124 4.539 25.066 21.335 943 HB1 ALA 124 1HB ALA 124 5.027 26.629 19.540 944 HB2 ALA 124 2HB ALA 124 6.376 25.516 19.775 945 HB3 ALA 124 3HB ALA 124 5.272 25.290 18.419 946 H GLU 125 H GLU 125 3.391 23.617 18.302 947 HA GLU 125 HA GLU 125 1.042 25.173 18.098 948 HB2 GLU 125 2HB GLU 125 1.968 22.593 16.892 949 HB3 GLU 125 3HB GLU 125 0.298 23.097 16.680 950 HG2 GLU 125 2HG GLU 125 2.198 25.220 16.107 951 HG3 GLU 125 3HG GLU 125 2.421 23.799 15.088 952 H ALA 126 H ALA 126 1.559 21.860 19.298 953 HA ALA 126 HA ALA 126 -1.094 21.377 20.076 954 HB1 ALA 126 1HB ALA 126 0.571 19.942 21.826 955 HB2 ALA 126 2HB ALA 126 -0.194 19.367 20.344 956 HB3 ALA 126 3HB ALA 126 1.433 20.047 20.291 957 H ASP 127 H ASP 127 1.503 23.099 21.631 958 HA ASP 127 HA ASP 127 0.471 23.098 24.264 959 HB2 ASP 127 2HB ASP 127 2.802 23.670 23.788 960 HB3 ASP 127 3HB ASP 127 2.283 25.098 22.896 961 H GLU 128 H GLU 128 -0.288 24.932 21.423 962 HA GLU 128 HA GLU 128 -1.491 27.173 22.629 963 HB2 GLU 128 2HB GLU 128 -0.889 27.097 20.250 964 HB3 GLU 128 3HB GLU 128 -2.119 25.871 19.973 965 HG2 GLU 128 2HG GLU 128 -3.869 27.381 20.318 966 HG3 GLU 128 3HG GLU 128 -2.812 28.565 21.086 967 H ASP 129 H ASP 129 -2.584 23.920 22.135 968 HA ASP 129 HA ASP 129 -5.360 24.319 22.315 969 HB2 ASP 129 2HB ASP 129 -4.304 22.200 21.584 970 HB3 ASP 129 3HB ASP 129 -3.762 21.921 23.237 971 H GLY 130 H GLY 130 -2.854 24.116 24.752 972 HA2 GLY 130 2HA GLY 130 -4.776 25.042 26.746 973 HA3 GLY 130 3HA GLY 130 -3.957 23.524 27.085 974 H ASP 131 H ASP 131 -2.634 24.027 28.732 975 HA ASP 131 HA ASP 131 -0.631 26.122 28.237 976 HB2 ASP 131 2HB ASP 131 -2.490 26.743 29.921 977 HB3 ASP 131 3HB ASP 131 -1.707 25.587 30.995 978 H GLY 132 H GLY 132 0.891 24.575 27.619 979 HA2 GLY 132 2HA GLY 132 2.786 23.345 28.155 980 HA3 GLY 132 3HA GLY 132 2.246 23.298 29.827 981 H GLU 133 H GLU 133 0.001 22.334 27.399 982 HA GLU 133 HA GLU 133 0.503 19.508 28.069 983 HB2 GLU 133 2HB GLU 133 -2.114 20.975 27.770 984 HB3 GLU 133 3HB GLU 133 -2.002 19.221 27.716 985 HG2 GLU 133 2HG GLU 133 -1.278 19.097 29.954 986 HG3 GLU 133 3HG GLU 133 -0.965 20.830 30.027 987 H VAL 134 H VAL 134 0.212 17.979 26.442 988 HA VAL 134 HA VAL 134 0.216 19.095 23.722 989 HB VAL 134 HB VAL 134 1.170 16.373 24.618 990 HG11 VAL 134 1HG1 VAL 134 0.916 17.722 22.009 991 HG12 VAL 134 2HG1 VAL 134 2.429 16.859 22.290 992 HG13 VAL 134 3HG1 VAL 134 0.890 16.005 22.408 993 HG21 VAL 134 1HG2 VAL 134 3.449 17.387 24.147 994 HG22 VAL 134 2HG2 VAL 134 2.648 18.957 24.190 995 HG23 VAL 134 3HG2 VAL 134 2.640 17.924 25.619 996 H SER 135 H SER 135 -1.702 18.998 22.761 997 HA SER 135 HA SER 135 -3.370 16.607 23.197 998 HB2 SER 135 2HB SER 135 -4.673 18.356 24.018 999 HB3 SER 135 3HB SER 135 -4.083 19.496 22.810 1000 HG SER 135 HG SER 135 -5.508 18.770 21.400 1001 H PHE 136 H PHE 136 -3.144 15.274 21.526 1002 HA PHE 136 HA PHE 136 -2.199 15.905 18.994 1003 HB2 PHE 136 2HB PHE 136 -3.220 13.596 20.319 1004 HB3 PHE 136 3HB PHE 136 -4.002 13.711 18.745 1005 HD1 PHE 136 HD1 PHE 136 -0.995 12.889 20.523 1006 HD2 PHE 136 HD2 PHE 136 -2.571 13.852 16.688 1007 HE1 PHE 136 HE1 PHE 136 1.013 11.941 19.463 1008 HE2 PHE 136 HE2 PHE 136 -0.566 12.904 15.622 1009 HZ PHE 136 HZ PHE 136 1.229 11.947 17.010 1010 H GLU 137 H GLU 137 -5.408 16.161 20.311 1011 HA GLU 137 HA GLU 137 -6.969 16.206 18.027 1012 HB2 GLU 137 2HB GLU 137 -7.609 16.433 20.546 1013 HB3 GLU 137 3HB GLU 137 -7.463 18.159 20.248 1014 HG2 GLU 137 2HG GLU 137 -9.164 18.055 18.546 1015 HG3 GLU 137 3HG GLU 137 -9.255 16.302 18.701 1016 H GLU 138 H GLU 138 -5.027 18.789 19.453 1017 HA GLU 138 HA GLU 138 -5.899 20.872 17.776 1018 HB2 GLU 138 2HB GLU 138 -4.251 20.718 19.932 1019 HB3 GLU 138 3HB GLU 138 -3.079 20.953 18.642 1020 HG2 GLU 138 2HG GLU 138 -5.440 22.738 19.187 1021 HG3 GLU 138 3HG GLU 138 -3.780 23.059 19.685 1022 H PHE 139 H PHE 139 -3.055 18.745 17.537 1023 HA PHE 139 HA PHE 139 -1.989 19.775 15.185 1024 HB2 PHE 139 2HB PHE 139 -1.072 17.964 16.822 1025 HB3 PHE 139 3HB PHE 139 -1.904 16.831 15.763 1026 HD1 PHE 139 HD1 PHE 139 0.881 19.160 16.084 1027 HD2 PHE 139 HD2 PHE 139 -1.159 16.482 13.480 1028 HE1 PHE 139 HE1 PHE 139 2.808 19.185 14.554 1029 HE2 PHE 139 HE2 PHE 139 0.765 16.502 11.947 1030 HZ PHE 139 HZ PHE 139 2.752 17.854 12.483 1031 H LYS 140 H LYS 140 -4.190 16.997 15.560 1032 HA LYS 140 HA LYS 140 -4.529 16.386 12.878 1033 HB2 LYS 140 2HB LYS 140 -5.355 14.945 14.657 1034 HB3 LYS 140 3HB LYS 140 -6.527 16.165 15.136 1035 HG2 LYS 140 2HG LYS 140 -7.685 14.507 13.897 1036 HG3 LYS 140 3HG LYS 140 -7.563 15.940 12.872 1037 HD2 LYS 140 2HD LYS 140 -5.266 14.456 12.321 1038 HD3 LYS 140 3HD LYS 140 -6.565 13.265 12.427 1039 HE2 LYS 140 2HE LYS 140 -6.622 15.760 10.731 1040 HE3 LYS 140 3HE LYS 140 -6.254 14.140 10.141 1041 HZ1 LYS 140 1HZ LYS 140 -8.418 13.874 9.833 1042 HZ2 LYS 140 2HZ LYS 140 -8.779 15.342 10.590 1043 HZ3 LYS 140 3HZ LYS 140 -8.641 13.929 11.509 1044 H SER 141 H SER 141 -6.465 18.585 14.896 1045 HA SER 141 HA SER 141 -8.343 19.362 13.021 1046 HB2 SER 141 2HB SER 141 -8.807 20.177 15.136 1047 HB3 SER 141 3HB SER 141 -7.143 20.687 15.419 1048 HG SER 141 HG SER 141 -8.750 22.395 15.006 1049 H VAL 142 H VAL 142 -5.168 20.822 13.674 1050 HA VAL 142 HA VAL 142 -5.294 22.890 11.808 1051 HB VAL 142 HB VAL 142 -2.827 21.351 12.633 1052 HG11 VAL 142 1HG1 VAL 142 -3.198 24.090 11.431 1053 HG12 VAL 142 2HG1 VAL 142 -1.687 23.517 12.141 1054 HG13 VAL 142 3HG1 VAL 142 -2.357 22.711 10.721 1055 HG21 VAL 142 1HG2 VAL 142 -4.589 22.951 14.177 1056 HG22 VAL 142 2HG2 VAL 142 -3.058 22.224 14.662 1057 HG23 VAL 142 3HG2 VAL 142 -3.083 23.845 13.970 1058 H MET 143 H MET 143 -3.991 19.599 11.435 1059 HA MET 143 HA MET 143 -3.112 19.794 8.810 1060 HB2 MET 143 2HB MET 143 -2.895 17.856 10.522 1061 HB3 MET 143 3HB MET 143 -4.417 17.294 9.843 1062 HG2 MET 143 2HG MET 143 -2.971 16.131 8.542 1063 HG3 MET 143 3HG MET 143 -3.120 17.595 7.572 1064 HE1 MET 143 1HE MET 143 0.295 15.525 8.025 1065 HE2 MET 143 2HE MET 143 -1.236 15.583 7.151 1066 HE3 MET 143 3HE MET 143 0.099 16.627 6.662 1067 H MET 144 H MET 144 -6.308 18.780 10.004 1068 HA MET 144 HA MET 144 -7.483 18.275 7.522 1069 HB2 MET 144 2HB MET 144 -8.301 18.116 10.128 1070 HB3 MET 144 3HB MET 144 -9.271 19.457 9.534 1071 HG2 MET 144 2HG MET 144 -9.180 17.085 7.797 1072 HG3 MET 144 3HG MET 144 -9.986 16.871 9.350 1073 HE1 MET 144 1HE MET 144 -11.225 19.396 5.790 1074 HE2 MET 144 2HE MET 144 -9.657 18.662 6.123 1075 HE3 MET 144 3HE MET 144 -11.033 17.645 5.695 1076 H GLN 145 H GLN 145 -7.391 21.264 9.436 1077 HA GLN 145 HA GLN 145 -8.987 22.850 7.800 1078 HB2 GLN 145 2HB GLN 145 -8.036 23.396 10.102 1079 HB3 GLN 145 3HB GLN 145 -6.561 23.867 9.269 1080 HG2 GLN 145 2HG GLN 145 -7.776 25.562 8.028 1081 HG3 GLN 145 3HG GLN 145 -9.281 25.067 8.801 1082 HE21 GLN 145 1HE2 GLN 145 -6.213 26.650 9.243 1083 HE22 GLN 145 2HE2 GLN 145 -6.601 27.426 10.736 1084 H MET 146 H MET 146 -5.495 22.253 7.660 1085 HA MET 146 HA MET 146 -4.939 24.019 5.540 1086 HB2 MET 146 2HB MET 146 -3.521 21.521 6.471 1087 HB3 MET 146 3HB MET 146 -2.884 22.594 5.232 1088 HG2 MET 146 2HG MET 146 -3.356 24.376 7.184 1089 HG3 MET 146 3HG MET 146 -3.029 22.939 8.151 1090 HE1 MET 146 1HE MET 146 -0.982 25.850 6.050 1091 HE2 MET 146 2HE MET 146 -1.828 25.818 7.597 1092 HE3 MET 146 3HE MET 146 -0.068 25.703 7.551 1093 H ARG 147 H ARG 147 -5.785 20.580 5.589 1094 HA ARG 147 HA ARG 147 -5.452 20.071 2.852 1095 HB2 ARG 147 2HB ARG 147 -7.138 18.799 4.992 1096 HB3 ARG 147 3HB ARG 147 -7.214 18.240 3.326 1097 HG2 ARG 147 2HG ARG 147 -4.528 18.485 4.543 1098 HG3 ARG 147 3HG ARG 147 -5.570 17.184 5.125 1099 HD2 ARG 147 2HD ARG 147 -5.416 17.529 2.196 1100 HD3 ARG 147 3HD ARG 147 -3.950 16.955 2.991 1101 HE ARG 147 HE ARG 147 -6.017 15.411 3.973 1102 HH11 ARG 147 1HH1 ARG 147 -4.573 16.067 0.875 1103 HH12 ARG 147 2HH1 ARG 147 -4.949 14.507 0.223 1104 HH21 ARG 147 1HH2 ARG 147 -6.518 13.353 3.126 1105 HH22 ARG 147 2HH2 ARG 147 -6.056 12.964 1.504 1106 H GLY 148 H GLY 148 -8.244 21.246 4.684 1107 HA2 GLY 148 2HA GLY 148 -10.116 21.172 2.581 1108 HA3 GLY 148 3HA GLY 148 -10.219 22.198 4.004 1109 H LYS 149 H LYS 149 -8.305 23.976 3.844 1110 HA LYS 149 HA LYS 149 -9.147 25.808 1.925 1111 HB2 LYS 149 2HB LYS 149 -6.422 25.801 3.225 1112 HB3 LYS 149 3HB LYS 149 -7.316 27.191 2.624 1113 HG2 LYS 149 2HG LYS 149 -8.948 25.890 4.534 1114 HG3 LYS 149 3HG LYS 149 -7.331 26.049 5.224 1115 HD2 LYS 149 2HD LYS 149 -7.343 28.392 4.971 1116 HD3 LYS 149 3HD LYS 149 -8.734 28.347 3.885 1117 HE2 LYS 149 2HE LYS 149 -9.121 27.223 6.593 1118 HE3 LYS 149 3HE LYS 149 -8.918 28.971 6.485 1119 HZ1 LYS 149 1HZ LYS 149 -10.976 27.322 5.126 1120 HZ2 LYS 149 2HZ LYS 149 -10.718 28.961 4.797 1121 HZ3 LYS 149 3HZ LYS 149 -11.226 28.477 6.336 Start of MODEL 4 1 H1 MET 1 H MET 1 1.174 -0.343 -1.693 2 HA MET 1 HA MET 1 3.054 -1.652 -3.494 3 HB2 MET 1 2HB MET 1 0.394 -0.537 -4.319 4 HB3 MET 1 3HB MET 1 1.751 -0.506 -5.437 5 HG2 MET 1 2HG MET 1 1.960 -2.935 -5.244 6 HG3 MET 1 3HG MET 1 0.590 -2.959 -4.136 7 HE1 MET 1 1HE MET 1 -1.630 -3.415 -4.770 8 HE2 MET 1 2HE MET 1 -1.897 -1.701 -5.087 9 HE3 MET 1 3HE MET 1 -2.449 -2.909 -6.248 10 H ALA 2 H ALA 2 1.184 1.386 -3.463 11 HA ALA 2 HA ALA 2 3.729 2.853 -3.265 12 HB1 ALA 2 1HB ALA 2 2.440 2.726 -5.592 13 HB2 ALA 2 2HB ALA 2 1.562 4.075 -4.870 14 HB3 ALA 2 3HB ALA 2 3.312 4.166 -5.067 15 H ALA 3 H ALA 3 3.699 4.731 -2.065 16 HA ALA 3 HA ALA 3 1.270 5.152 -0.464 17 HB1 ALA 3 1HB ALA 3 3.938 6.273 0.280 18 HB2 ALA 3 2HB ALA 3 2.586 5.811 1.315 19 HB3 ALA 3 3HB ALA 3 3.585 4.568 0.562 20 H LEU 4 H LEU 4 0.550 7.277 -0.017 21 HA LEU 4 HA LEU 4 0.478 9.015 -2.187 22 HB2 LEU 4 2HB LEU 4 -0.391 10.690 -0.530 23 HB3 LEU 4 3HB LEU 4 -1.247 9.150 -0.585 24 HG LEU 4 HG LEU 4 0.621 8.779 1.417 25 HD11 LEU 4 1HD1 LEU 4 -0.088 10.854 2.860 26 HD12 LEU 4 2HD1 LEU 4 -0.220 11.631 1.283 27 HD13 LEU 4 3HD1 LEU 4 1.315 10.927 1.793 28 HD21 LEU 4 1HD2 LEU 4 -1.239 8.593 2.825 29 HD22 LEU 4 2HD2 LEU 4 -1.859 8.190 1.224 30 HD23 LEU 4 3HD2 LEU 4 -2.163 9.786 1.912 31 H THR 5 H THR 5 2.532 9.061 0.688 32 HA THR 5 HA THR 5 3.743 11.524 0.421 33 HB THR 5 HB THR 5 5.789 10.408 1.457 34 HG1 THR 5 HG1 THR 5 5.012 8.217 2.321 35 HG21 THR 5 1HG2 THR 5 3.202 10.953 2.523 36 HG22 THR 5 2HG2 THR 5 4.767 11.046 3.330 37 HG23 THR 5 3HG2 THR 5 3.857 9.536 3.342 38 H ASP 6 H ASP 6 4.618 8.470 -1.155 39 HA ASP 6 HA ASP 6 6.939 9.327 -2.443 40 HB2 ASP 6 2HB ASP 6 5.567 6.975 -2.319 41 HB3 ASP 6 3HB ASP 6 5.247 7.465 -3.980 42 H GLU 7 H GLU 7 3.569 9.387 -3.563 43 HA GLU 7 HA GLU 7 4.094 10.466 -6.109 44 HB2 GLU 7 2HB GLU 7 1.935 9.391 -5.217 45 HB3 GLU 7 3HB GLU 7 1.566 10.978 -4.558 46 HG2 GLU 7 2HG GLU 7 1.781 11.910 -6.854 47 HG3 GLU 7 3HG GLU 7 1.958 10.262 -7.452 48 H GLN 8 H GLN 8 3.611 11.950 -2.967 49 HA GLN 8 HA GLN 8 3.257 14.606 -3.839 50 HB2 GLN 8 2HB GLN 8 2.967 13.485 -1.474 51 HB3 GLN 8 3HB GLN 8 4.635 14.000 -1.256 52 HG2 GLN 8 2HG GLN 8 3.295 16.220 -2.297 53 HG3 GLN 8 3HG GLN 8 2.213 15.529 -1.089 54 HE21 GLN 8 1HE2 GLN 8 2.473 16.314 0.862 55 HE22 GLN 8 2HE2 GLN 8 3.943 16.923 1.535 56 H ILE 9 H ILE 9 6.173 12.994 -2.564 57 HA ILE 9 HA ILE 9 7.930 15.127 -3.059 58 HB ILE 9 HB ILE 9 9.739 13.421 -2.923 59 HG12 ILE 9 2HG1 ILE 9 7.419 11.498 -2.649 60 HG13 ILE 9 3HG1 ILE 9 8.549 11.564 -3.998 61 HG21 ILE 9 1HG2 ILE 9 8.286 12.546 -0.626 62 HG22 ILE 9 2HG2 ILE 9 9.585 13.733 -0.732 63 HG23 ILE 9 3HG2 ILE 9 7.909 14.239 -0.942 64 HD11 ILE 9 1HD1 ILE 9 10.228 11.273 -1.875 65 HD12 ILE 9 2HD1 ILE 9 8.826 10.329 -1.372 66 HD13 ILE 9 3HD1 ILE 9 9.635 9.963 -2.895 67 H ARG 10 H ARG 10 6.805 12.504 -5.093 68 HA ARG 10 HA ARG 10 8.711 12.757 -7.155 69 HB2 ARG 10 2HB ARG 10 7.337 10.781 -7.013 70 HB3 ARG 10 3HB ARG 10 5.870 11.734 -7.191 71 HG2 ARG 10 2HG ARG 10 6.331 10.631 -9.261 72 HG3 ARG 10 3HG ARG 10 6.613 12.361 -9.470 73 HD2 ARG 10 2HD ARG 10 9.077 11.622 -8.763 74 HD3 ARG 10 3HD ARG 10 8.531 10.102 -9.472 75 HE ARG 10 HE ARG 10 7.870 12.046 -11.299 76 HH11 ARG 10 1HH1 ARG 10 10.786 10.912 -9.772 77 HH12 ARG 10 2HH1 ARG 10 11.803 11.321 -11.114 78 HH21 ARG 10 1HH2 ARG 10 9.199 12.590 -13.072 79 HH22 ARG 10 2HH2 ARG 10 10.899 12.277 -12.990 80 H GLU 11 H GLU 11 5.438 14.114 -6.816 81 HA GLU 11 HA GLU 11 5.475 15.558 -9.239 82 HB2 GLU 11 2HB GLU 11 3.749 15.356 -6.892 83 HB3 GLU 11 3HB GLU 11 3.778 16.974 -7.579 84 HG2 GLU 11 2HG GLU 11 3.517 14.984 -9.644 85 HG3 GLU 11 3HG GLU 11 2.256 14.806 -8.425 86 H ALA 12 H ALA 12 6.436 16.387 -5.952 87 HA ALA 12 HA ALA 12 6.827 19.142 -6.332 88 HB1 ALA 12 1HB ALA 12 6.886 17.592 -4.179 89 HB2 ALA 12 2HB ALA 12 8.623 17.689 -4.472 90 HB3 ALA 12 3HB ALA 12 7.687 19.163 -4.226 91 H PHE 13 H PHE 13 9.203 16.483 -6.410 92 HA PHE 13 HA PHE 13 11.397 18.051 -7.178 93 HB2 PHE 13 2HB PHE 13 11.662 15.795 -6.279 94 HB3 PHE 13 3HB PHE 13 10.864 15.118 -7.695 95 HD1 PHE 13 HD1 PHE 13 12.238 14.150 -9.243 96 HD2 PHE 13 HD2 PHE 13 13.701 17.438 -6.970 97 HE1 PHE 13 HE1 PHE 13 14.413 13.964 -10.379 98 HE2 PHE 13 HE2 PHE 13 15.877 17.257 -8.103 99 HZ PHE 13 HZ PHE 13 16.235 15.519 -9.811 100 H ASN 14 H ASN 14 8.843 16.548 -9.039 101 HA ASN 14 HA ASN 14 10.045 16.791 -11.588 102 HB2 ASN 14 2HB ASN 14 8.059 15.346 -11.006 103 HB3 ASN 14 3HB ASN 14 7.083 16.812 -10.991 104 HD21 ASN 14 1HD2 ASN 14 6.017 15.340 -12.655 105 HD22 ASN 14 2HD2 ASN 14 6.509 15.573 -14.295 106 H LEU 15 H LEU 15 7.783 18.867 -9.806 107 HA LEU 15 HA LEU 15 7.520 20.830 -11.816 108 HB2 LEU 15 2HB LEU 15 6.439 20.352 -9.303 109 HB3 LEU 15 3HB LEU 15 7.298 21.881 -9.124 110 HG LEU 15 HG LEU 15 5.000 22.326 -9.654 111 HD11 LEU 15 1HD1 LEU 15 6.912 23.640 -10.742 112 HD12 LEU 15 2HD1 LEU 15 5.292 23.829 -11.412 113 HD13 LEU 15 3HD1 LEU 15 6.467 22.796 -12.226 114 HD21 LEU 15 1HD2 LEU 15 4.185 20.394 -10.669 115 HD22 LEU 15 2HD2 LEU 15 5.466 20.374 -11.881 116 HD23 LEU 15 3HD2 LEU 15 4.183 21.581 -11.974 117 H PHE 16 H PHE 16 9.590 20.677 -8.928 118 HA PHE 16 HA PHE 16 10.859 23.142 -9.243 119 HB2 PHE 16 2HB PHE 16 11.828 20.567 -7.997 120 HB3 PHE 16 3HB PHE 16 12.722 22.081 -7.902 121 HD1 PHE 16 HD1 PHE 16 11.066 20.112 -5.870 122 HD2 PHE 16 HD2 PHE 16 10.637 24.048 -7.435 123 HE1 PHE 16 HE1 PHE 16 9.756 20.754 -3.889 124 HE2 PHE 16 HE2 PHE 16 9.328 24.696 -5.455 125 HZ PHE 16 HZ PHE 16 8.886 23.048 -3.678 126 H ASP 17 H ASP 17 11.764 19.940 -10.472 127 HA ASP 17 HA ASP 17 14.136 20.845 -11.766 128 HB2 ASP 17 2HB ASP 17 14.049 18.540 -11.207 129 HB3 ASP 17 3HB ASP 17 12.490 18.330 -11.999 130 H ALA 18 H ALA 18 10.784 20.735 -12.635 131 HA ALA 18 HA ALA 18 10.870 20.710 -15.398 132 HB1 ALA 18 1HB ALA 18 9.001 22.423 -13.773 133 HB2 ALA 18 2HB ALA 18 8.719 21.734 -15.372 134 HB3 ALA 18 3HB ALA 18 8.820 20.679 -13.962 135 H ASP 19 H ASP 19 11.715 23.265 -13.183 136 HA ASP 19 HA ASP 19 11.581 25.504 -14.794 137 HB2 ASP 19 2HB ASP 19 12.269 25.294 -12.316 138 HB3 ASP 19 3HB ASP 19 13.899 25.037 -12.933 139 H GLY 20 H GLY 20 13.870 22.873 -14.858 140 HA2 GLY 20 2HA GLY 20 15.238 22.285 -16.657 141 HA3 GLY 20 3HA GLY 20 14.910 23.849 -17.387 142 H SER 21 H SER 21 15.971 23.581 -14.080 143 HA SER 21 HA SER 21 18.508 24.845 -14.860 144 HB2 SER 21 2HB SER 21 16.838 24.997 -12.360 145 HB3 SER 21 3HB SER 21 18.538 25.466 -12.349 146 HG SER 21 HG SER 21 16.843 27.134 -12.826 147 H GLY 22 H GLY 22 20.452 24.241 -13.743 148 HA2 GLY 22 2HA GLY 22 20.706 21.411 -13.450 149 HA3 GLY 22 3HA GLY 22 21.972 22.601 -13.186 150 H ALA 23 H ALA 23 20.075 23.990 -11.249 151 HA ALA 23 HA ALA 23 19.957 22.085 -9.056 152 HB1 ALA 23 1HB ALA 23 21.760 22.762 -7.955 153 HB2 ALA 23 2HB ALA 23 22.200 23.739 -9.356 154 HB3 ALA 23 3HB ALA 23 21.243 24.446 -8.055 155 H ILE 24 H ILE 24 18.877 22.987 -7.142 156 HA ILE 24 HA ILE 24 17.020 25.150 -7.889 157 HB ILE 24 HB ILE 24 16.507 22.898 -5.945 158 HG12 ILE 24 2HG1 ILE 24 14.719 22.598 -7.999 159 HG13 ILE 24 3HG1 ILE 24 16.163 23.126 -8.856 160 HG21 ILE 24 1HG2 ILE 24 15.280 25.395 -6.210 161 HG22 ILE 24 2HG2 ILE 24 14.182 24.244 -6.969 162 HG23 ILE 24 3HG2 ILE 24 14.692 24.004 -5.298 163 HD11 ILE 24 1HD1 ILE 24 17.008 21.092 -8.720 164 HD12 ILE 24 2HD1 ILE 24 16.891 21.130 -6.961 165 HD13 ILE 24 3HD1 ILE 24 15.532 20.551 -7.923 166 H ASP 25 H ASP 25 17.063 26.940 -6.704 167 HA ASP 25 HA ASP 25 18.669 26.970 -4.263 168 HB2 ASP 25 2HB ASP 25 17.513 29.228 -5.912 169 HB3 ASP 25 3HB ASP 25 18.505 29.442 -4.472 170 H ALA 26 H ALA 26 17.774 28.713 -2.619 171 HA ALA 26 HA ALA 26 15.370 27.605 -1.559 172 HB1 ALA 26 1HB ALA 26 17.389 29.560 -0.700 173 HB2 ALA 26 2HB ALA 26 15.767 29.821 -0.056 174 HB3 ALA 26 3HB ALA 26 16.583 28.280 0.209 175 H GLU 27 H GLU 27 16.200 30.650 -3.155 176 HA GLU 27 HA GLU 27 13.798 32.010 -2.768 177 HB2 GLU 27 2HB GLU 27 14.420 33.292 -4.808 178 HB3 GLU 27 3HB GLU 27 15.726 33.159 -3.639 179 HG2 GLU 27 2HG GLU 27 16.506 31.157 -5.039 180 HG3 GLU 27 3HG GLU 27 15.427 31.789 -6.281 181 H GLU 28 H GLU 28 14.751 29.746 -5.319 182 HA GLU 28 HA GLU 28 12.436 29.995 -6.895 183 HB2 GLU 28 2HB GLU 28 14.803 28.611 -7.091 184 HB3 GLU 28 3HB GLU 28 13.633 27.320 -6.858 185 HG2 GLU 28 2HG GLU 28 13.537 27.455 -9.108 186 HG3 GLU 28 3HG GLU 28 12.333 28.684 -8.725 187 H MET 29 H MET 29 13.255 27.737 -4.283 188 HA MET 29 HA MET 29 10.944 26.169 -4.394 189 HB2 MET 29 2HB MET 29 13.165 25.952 -2.987 190 HB3 MET 29 3HB MET 29 12.215 26.778 -1.759 191 HG2 MET 29 2HG MET 29 10.454 24.932 -2.277 192 HG3 MET 29 3HG MET 29 11.840 24.068 -2.939 193 HE1 MET 29 1HE MET 29 10.194 22.854 -1.131 194 HE2 MET 29 2HE MET 29 11.567 21.968 -0.467 195 HE3 MET 29 3HE MET 29 10.502 22.878 0.606 196 H ALA 30 H ALA 30 11.630 29.115 -2.538 197 HA ALA 30 HA ALA 30 9.185 29.223 -1.152 198 HB1 ALA 30 1HB ALA 30 10.177 31.859 -1.687 199 HB2 ALA 30 2HB ALA 30 10.177 30.951 -0.174 200 HB3 ALA 30 3HB ALA 30 11.518 30.777 -1.307 201 H LEU 31 H LEU 31 10.207 30.732 -4.203 202 HA LEU 31 HA LEU 31 7.910 32.199 -4.739 203 HB2 LEU 31 2HB LEU 31 10.274 31.699 -6.030 204 HB3 LEU 31 3HB LEU 31 9.096 30.931 -7.092 205 HG LEU 31 HG LEU 31 9.554 33.178 -7.849 206 HD11 LEU 31 1HD1 LEU 31 7.044 32.124 -7.369 207 HD12 LEU 31 2HD1 LEU 31 7.430 33.475 -8.435 208 HD13 LEU 31 3HD1 LEU 31 6.933 33.780 -6.771 209 HD21 LEU 31 1HD2 LEU 31 9.373 33.770 -5.009 210 HD22 LEU 31 2HD2 LEU 31 8.425 34.883 -5.996 211 HD23 LEU 31 3HD2 LEU 31 10.149 34.676 -6.308 212 H ALA 32 H ALA 32 8.695 28.872 -5.733 213 HA ALA 32 HA ALA 32 6.308 28.346 -7.100 214 HB1 ALA 32 1HB ALA 32 8.057 26.846 -7.484 215 HB2 ALA 32 2HB ALA 32 8.322 26.572 -5.761 216 HB3 ALA 32 3HB ALA 32 6.887 25.914 -6.548 217 H MET 33 H MET 33 7.210 27.663 -3.725 218 HA MET 33 HA MET 33 4.894 26.391 -2.904 219 HB2 MET 33 2HB MET 33 6.951 28.048 -1.510 220 HB3 MET 33 3HB MET 33 5.494 27.599 -0.633 221 HG2 MET 33 2HG MET 33 6.086 25.431 -0.480 222 HG3 MET 33 3HG MET 33 6.872 25.420 -2.057 223 HE1 MET 33 1HE MET 33 8.825 27.454 1.568 224 HE2 MET 33 2HE MET 33 7.226 27.781 0.901 225 HE3 MET 33 3HE MET 33 7.497 26.334 1.872 226 H LYS 34 H LYS 34 5.583 29.851 -3.117 227 HA LYS 34 HA LYS 34 3.174 30.730 -1.921 228 HB2 LYS 34 2HB LYS 34 5.350 32.044 -2.389 229 HB3 LYS 34 3HB LYS 34 4.683 32.299 -3.996 230 HG2 LYS 34 2HG LYS 34 2.601 33.170 -2.734 231 HG3 LYS 34 3HG LYS 34 3.702 33.315 -1.363 232 HD2 LYS 34 2HD LYS 34 4.698 34.412 -3.908 233 HD3 LYS 34 3HD LYS 34 3.311 35.252 -3.212 234 HE2 LYS 34 2HE LYS 34 4.830 34.972 -1.014 235 HE3 LYS 34 3HE LYS 34 6.093 35.040 -2.242 236 HZ1 LYS 34 1HZ LYS 34 4.762 37.089 -3.054 237 HZ2 LYS 34 2HZ LYS 34 5.799 37.244 -1.727 238 HZ3 LYS 34 3HZ LYS 34 4.131 37.095 -1.485 239 H GLY 35 H GLY 35 4.141 30.408 -5.336 240 HA2 GLY 35 2HA GLY 35 1.786 31.293 -6.516 241 HA3 GLY 35 3HA GLY 35 2.883 30.122 -7.234 242 H LEU 36 H LEU 36 2.598 28.060 -5.328 243 HA LEU 36 HA LEU 36 0.109 26.935 -6.237 244 HB2 LEU 36 2HB LEU 36 2.148 25.800 -4.330 245 HB3 LEU 36 3HB LEU 36 0.843 24.911 -5.112 246 HG LEU 36 HG LEU 36 2.979 26.264 -6.726 247 HD11 LEU 36 1HD1 LEU 36 3.302 24.005 -4.946 248 HD12 LEU 36 2HD1 LEU 36 4.510 24.901 -5.865 249 HD13 LEU 36 3HD1 LEU 36 3.631 23.574 -6.624 250 HD21 LEU 36 1HD2 LEU 36 1.007 24.040 -7.175 251 HD22 LEU 36 2HD2 LEU 36 2.381 24.320 -8.245 252 HD23 LEU 36 3HD2 LEU 36 1.153 25.570 -8.041 253 H GLY 37 H GLY 37 1.298 28.459 -3.362 254 HA2 GLY 37 2HA GLY 37 0.206 29.128 -1.453 255 HA3 GLY 37 3HA GLY 37 -1.301 28.712 -2.258 256 H PHE 38 H PHE 38 1.148 26.291 -1.929 257 HA PHE 38 HA PHE 38 -0.304 25.105 0.338 258 HB2 PHE 38 2HB PHE 38 0.616 23.691 -2.172 259 HB3 PHE 38 3HB PHE 38 0.028 22.869 -0.730 260 HD1 PHE 38 HD1 PHE 38 -2.263 24.400 0.084 261 HD2 PHE 38 HD2 PHE 38 -0.940 23.418 -3.840 262 HE1 PHE 38 HE1 PHE 38 -4.572 24.602 -0.742 263 HE2 PHE 38 HE2 PHE 38 -3.246 23.620 -4.673 264 HZ PHE 38 HZ PHE 38 -5.066 24.213 -3.123 265 H GLY 39 H GLY 39 0.922 24.044 1.851 266 HA2 GLY 39 2HA GLY 39 2.799 23.495 3.053 267 HA3 GLY 39 3HA GLY 39 3.548 23.128 1.507 268 H ASP 40 H ASP 40 2.344 26.253 2.645 269 HA ASP 40 HA ASP 40 4.848 27.498 1.945 270 HB2 ASP 40 2HB ASP 40 3.731 29.594 2.603 271 HB3 ASP 40 3HB ASP 40 2.747 28.656 1.483 272 H LEU 41 H LEU 41 6.536 27.478 3.263 273 HA LEU 41 HA LEU 41 6.059 27.509 6.169 274 HB2 LEU 41 2HB LEU 41 8.167 26.250 4.472 275 HB3 LEU 41 3HB LEU 41 8.547 26.700 6.133 276 HG LEU 41 HG LEU 41 7.947 24.333 5.927 277 HD11 LEU 41 1HD1 LEU 41 7.501 25.512 8.016 278 HD12 LEU 41 2HD1 LEU 41 6.287 24.270 7.712 279 HD13 LEU 41 3HD1 LEU 41 5.902 25.966 7.425 280 HD21 LEU 41 1HD2 LEU 41 5.178 25.254 5.191 281 HD22 LEU 41 2HD2 LEU 41 5.794 23.603 5.257 282 HD23 LEU 41 3HD2 LEU 41 6.361 24.708 4.003 283 HA PRO 42 HA PRO 42 8.107 31.365 6.608 284 HB2 PRO 42 2HB PRO 42 9.489 31.021 8.920 285 HB3 PRO 42 3HB PRO 42 7.730 31.194 8.868 286 HG2 PRO 42 2HG PRO 42 9.382 28.708 9.089 287 HG3 PRO 42 3HG PRO 42 7.904 29.150 9.963 288 HD2 PRO 42 2HD PRO 42 7.895 27.463 7.845 289 HD3 PRO 42 3HD PRO 42 6.536 28.546 8.208 290 H ARG 43 H ARG 43 10.213 32.439 6.742 291 HA ARG 43 HA ARG 43 12.099 31.365 4.995 292 HB2 ARG 43 2HB ARG 43 13.581 33.201 5.764 293 HB3 ARG 43 3HB ARG 43 11.958 33.748 5.365 294 HG2 ARG 43 2HG ARG 43 12.064 34.818 7.321 295 HG3 ARG 43 3HG ARG 43 11.717 33.237 8.024 296 HD2 ARG 43 2HD ARG 43 14.384 33.049 7.760 297 HD3 ARG 43 3HD ARG 43 14.228 34.792 7.977 298 HE ARG 43 HE ARG 43 13.921 32.794 9.975 299 HH11 ARG 43 1HH1 ARG 43 12.725 35.898 8.945 300 HH12 ARG 43 2HH1 ARG 43 12.251 36.389 10.537 301 HH21 ARG 43 1HH2 ARG 43 13.300 33.430 12.076 302 HH22 ARG 43 2HH2 ARG 43 12.579 34.985 12.317 303 H ASP 44 H ASP 44 11.969 31.340 8.518 304 HA ASP 44 HA ASP 44 14.530 30.386 9.061 305 HB2 ASP 44 2HB ASP 44 13.705 29.752 11.210 306 HB3 ASP 44 3HB ASP 44 12.823 31.201 10.735 307 H GLU 45 H GLU 45 11.609 28.671 8.104 308 HA GLU 45 HA GLU 45 12.606 26.056 8.555 309 HB2 GLU 45 2HB GLU 45 10.167 26.854 8.192 310 HB3 GLU 45 3HB GLU 45 10.536 26.710 6.479 311 HG2 GLU 45 2HG GLU 45 11.202 24.385 8.171 312 HG3 GLU 45 3HG GLU 45 9.490 24.729 7.930 313 H VAL 46 H VAL 46 12.731 28.264 5.831 314 HA VAL 46 HA VAL 46 13.673 26.388 3.919 315 HB VAL 46 HB VAL 46 14.060 29.384 3.936 316 HG11 VAL 46 1HG1 VAL 46 14.189 27.361 1.703 317 HG12 VAL 46 2HG1 VAL 46 14.248 29.112 1.491 318 HG13 VAL 46 3HG1 VAL 46 15.536 28.285 2.367 319 HG21 VAL 46 1HG2 VAL 46 11.699 28.761 4.133 320 HG22 VAL 46 2HG2 VAL 46 12.048 29.484 2.563 321 HG23 VAL 46 3HG2 VAL 46 11.851 27.737 2.705 322 H GLU 47 H GLU 47 15.330 28.820 5.919 323 HA GLU 47 HA GLU 47 17.932 28.224 5.006 324 HB2 GLU 47 2HB GLU 47 18.682 29.419 7.056 325 HB3 GLU 47 3HB GLU 47 17.498 30.316 6.116 326 HG2 GLU 47 2HG GLU 47 15.740 29.582 7.668 327 HG3 GLU 47 3HG GLU 47 16.961 28.748 8.628 328 H ARG 48 H ARG 48 16.000 26.982 7.683 329 HA ARG 48 HA ARG 48 18.049 25.465 8.903 330 HB2 ARG 48 2HB ARG 48 15.717 26.142 9.812 331 HB3 ARG 48 3HB ARG 48 15.148 24.693 8.995 332 HG2 ARG 48 2HG ARG 48 16.787 23.371 10.301 333 HG3 ARG 48 3HG ARG 48 17.211 24.841 11.181 334 HD2 ARG 48 2HD ARG 48 14.444 24.737 11.319 335 HD3 ARG 48 3HD ARG 48 14.948 23.059 11.518 336 HE ARG 48 HE ARG 48 15.720 23.598 13.594 337 HH11 ARG 48 1HH1 ARG 48 15.457 26.517 11.715 338 HH12 ARG 48 2HH1 ARG 48 15.858 27.560 13.039 339 HH21 ARG 48 1HH2 ARG 48 16.249 24.961 15.344 340 HH22 ARG 48 2HH2 ARG 48 16.309 26.674 15.103 341 H THR 49 H THR 49 15.562 24.635 6.516 342 HA THR 49 HA THR 49 16.161 21.895 6.327 343 HB THR 49 HB THR 49 15.092 22.082 4.025 344 HG1 THR 49 HG1 THR 49 14.380 24.029 3.369 345 HG21 THR 49 1HG2 THR 49 13.892 22.627 6.650 346 HG22 THR 49 2HG2 THR 49 13.450 21.437 5.425 347 HG23 THR 49 3HG2 THR 49 12.898 23.105 5.274 348 H VAL 50 H VAL 50 17.320 24.677 4.453 349 HA VAL 50 HA VAL 50 18.907 23.215 2.641 350 HB VAL 50 HB VAL 50 19.267 26.061 3.591 351 HG11 VAL 50 1HG1 VAL 50 20.422 24.569 1.243 352 HG12 VAL 50 2HG1 VAL 50 20.427 26.328 1.382 353 HG13 VAL 50 3HG1 VAL 50 21.294 25.347 2.564 354 HG21 VAL 50 1HG2 VAL 50 17.136 24.989 2.228 355 HG22 VAL 50 2HG2 VAL 50 17.614 26.687 2.219 356 HG23 VAL 50 3HG2 VAL 50 18.158 25.610 0.932 357 H ARG 51 H ARG 51 19.619 24.659 5.788 358 HA ARG 51 HA ARG 51 22.400 24.193 5.759 359 HB2 ARG 51 2HB ARG 51 21.497 25.756 7.334 360 HB3 ARG 51 3HB ARG 51 20.442 24.533 8.029 361 HG2 ARG 51 2HG ARG 51 23.248 23.786 8.145 362 HG3 ARG 51 3HG ARG 51 22.900 25.295 8.990 363 HD2 ARG 51 2HD ARG 51 21.277 22.795 9.389 364 HD3 ARG 51 3HD ARG 51 22.710 23.162 10.349 365 HE ARG 51 HE ARG 51 20.791 25.293 10.316 366 HH11 ARG 51 1HH1 ARG 51 21.689 22.293 11.836 367 HH12 ARG 51 2HH1 ARG 51 20.873 22.650 13.322 368 HH21 ARG 51 1HH2 ARG 51 19.713 25.776 12.267 369 HH22 ARG 51 2HH2 ARG 51 19.749 24.631 13.566 370 H SER 52 H SER 52 19.679 22.271 6.957 371 HA SER 52 HA SER 52 21.224 20.209 8.112 372 HB2 SER 52 2HB SER 52 18.418 20.020 6.989 373 HB3 SER 52 3HB SER 52 19.157 18.922 8.155 374 HG SER 52 HG SER 52 18.853 21.695 8.639 375 H MET 53 H MET 53 19.626 20.463 4.943 376 HA MET 53 HA MET 53 20.471 17.953 3.980 377 HB2 MET 53 2HB MET 53 19.379 20.440 2.755 378 HB3 MET 53 3HB MET 53 20.132 19.260 1.691 379 HG2 MET 53 2HG MET 53 18.419 17.839 1.853 380 HG3 MET 53 3HG MET 53 18.241 18.100 3.586 381 HE1 MET 53 1HE MET 53 17.786 19.917 0.141 382 HE2 MET 53 2HE MET 53 16.623 21.175 0.559 383 HE3 MET 53 3HE MET 53 18.253 21.221 1.232 384 H ASN 54 H ASN 54 21.641 21.161 2.937 385 HA ASN 54 HA ASN 54 24.110 19.962 1.998 386 HB2 ASN 54 2HB ASN 54 22.762 21.827 0.818 387 HB3 ASN 54 3HB ASN 54 23.502 22.909 1.994 388 HD21 ASN 54 1HD2 ASN 54 24.348 23.881 -0.004 389 HD22 ASN 54 2HD2 ASN 54 25.824 23.259 -0.653 390 H THR 55 H THR 55 25.428 19.427 3.654 391 HA THR 55 HA THR 55 25.701 20.660 6.108 392 HB THR 55 HB THR 55 26.710 18.478 5.565 393 HG1 THR 55 HG1 THR 55 27.556 20.098 7.248 394 HG21 THR 55 1HG2 THR 55 28.577 18.204 4.203 395 HG22 THR 55 2HG2 THR 55 29.010 19.912 4.285 396 HG23 THR 55 3HG2 THR 55 27.627 19.398 3.320 397 H ASN 56 H ASN 56 27.124 21.532 3.029 398 HA ASN 56 HA ASN 56 28.412 23.842 4.330 399 HB2 ASN 56 2HB ASN 56 29.285 22.111 2.046 400 HB3 ASN 56 3HB ASN 56 29.808 23.791 2.105 401 HD21 ASN 56 1HD2 ASN 56 30.899 24.491 4.083 402 HD22 ASN 56 2HD2 ASN 56 31.905 23.360 4.916 403 H ALA 57 H ALA 57 26.919 25.421 4.105 404 HA ALA 57 HA ALA 57 25.132 25.752 1.988 405 HB1 ALA 57 1HB ALA 57 24.444 27.614 3.069 406 HB2 ALA 57 2HB ALA 57 25.433 26.947 4.369 407 HB3 ALA 57 3HB ALA 57 26.086 28.207 3.322 408 H ASN 58 H ASN 58 25.923 25.707 -0.056 409 HA ASN 58 HA ASN 58 27.912 27.765 -0.761 410 HB2 ASN 58 2HB ASN 58 28.177 25.027 -1.077 411 HB3 ASN 58 3HB ASN 58 27.666 25.570 -2.673 412 HD21 ASN 58 1HD2 ASN 58 30.164 24.461 -2.148 413 HD22 ASN 58 2HD2 ASN 58 31.370 25.671 -2.402 414 H GLY 59 H GLY 59 24.795 27.437 -0.782 415 HA2 GLY 59 2HA GLY 59 23.160 28.519 -2.003 416 HA3 GLY 59 3HA GLY 59 24.411 29.068 -3.109 417 H LEU 60 H LEU 60 24.207 25.688 -2.469 418 HA LEU 60 HA LEU 60 22.652 25.236 -4.913 419 HB2 LEU 60 2HB LEU 60 25.412 25.015 -4.817 420 HB3 LEU 60 3HB LEU 60 24.846 23.356 -4.636 421 HG LEU 60 HG LEU 60 23.533 23.647 -6.737 422 HD11 LEU 60 1HD1 LEU 60 24.926 26.305 -6.701 423 HD12 LEU 60 2HD1 LEU 60 23.213 25.957 -6.929 424 HD13 LEU 60 3HD1 LEU 60 24.369 25.562 -8.201 425 HD21 LEU 60 1HD2 LEU 60 26.506 23.793 -6.606 426 HD22 LEU 60 2HD2 LEU 60 25.716 23.862 -8.181 427 HD23 LEU 60 3HD2 LEU 60 25.462 22.470 -7.126 428 H ILE 61 H ILE 61 21.367 23.448 -4.879 429 HA ILE 61 HA ILE 61 21.507 21.766 -2.462 430 HB ILE 61 HB ILE 61 19.023 22.573 -3.979 431 HG12 ILE 61 2HG1 ILE 61 19.940 23.354 -1.203 432 HG13 ILE 61 3HG1 ILE 61 20.032 24.393 -2.621 433 HG21 ILE 61 1HG2 ILE 61 19.568 20.426 -2.131 434 HG22 ILE 61 2HG2 ILE 61 18.334 21.514 -1.498 435 HG23 ILE 61 3HG2 ILE 61 18.115 20.755 -3.075 436 HD11 ILE 61 1HD1 ILE 61 17.366 23.370 -2.272 437 HD12 ILE 61 2HD1 ILE 61 17.933 24.190 -0.817 438 HD13 ILE 61 3HD1 ILE 61 17.933 25.038 -2.363 439 H GLU 62 H GLU 62 21.620 19.625 -2.750 440 HA GLU 62 HA GLU 62 21.657 18.607 -5.476 441 HB2 GLU 62 2HB GLU 62 22.456 17.424 -2.821 442 HB3 GLU 62 3HB GLU 62 22.429 16.481 -4.304 443 HG2 GLU 62 2HG GLU 62 23.905 19.019 -4.446 444 HG3 GLU 62 3HG GLU 62 24.589 17.794 -3.379 445 H TYR 63 H TYR 63 20.295 17.059 -6.286 446 HA TYR 63 HA TYR 63 17.665 16.964 -5.289 447 HB2 TYR 63 2HB TYR 63 17.254 15.306 -7.040 448 HB3 TYR 63 3HB TYR 63 18.211 16.644 -7.665 449 HD1 TYR 63 HD1 TYR 63 18.190 13.086 -6.845 450 HD2 TYR 63 HD2 TYR 63 20.565 16.327 -8.244 451 HE1 TYR 63 HE1 TYR 63 19.884 11.492 -7.644 452 HE2 TYR 63 HE2 TYR 63 22.265 14.742 -9.047 453 HH TYR 63 HH TYR 63 22.457 11.617 -8.102 454 H GLY 64 H GLY 64 20.395 14.756 -4.988 455 HA2 GLY 64 2HA GLY 64 19.009 12.569 -3.880 456 HA3 GLY 64 3HA GLY 64 20.722 12.901 -3.677 457 H GLU 65 H GLU 65 20.814 15.179 -2.256 458 HA GLU 65 HA GLU 65 20.184 14.309 0.361 459 HB2 GLU 65 2HB GLU 65 21.047 17.013 -0.675 460 HB3 GLU 65 3HB GLU 65 20.916 16.609 1.031 461 HG2 GLU 65 2HG GLU 65 22.734 15.266 -0.956 462 HG3 GLU 65 3HG GLU 65 23.216 16.471 0.237 463 H PHE 66 H PHE 66 18.565 16.393 -1.930 464 HA PHE 66 HA PHE 66 16.770 17.645 -0.156 465 HB2 PHE 66 2HB PHE 66 17.153 18.465 -2.433 466 HB3 PHE 66 3HB PHE 66 16.428 17.003 -3.093 467 HD1 PHE 66 HD1 PHE 66 14.141 16.894 -3.489 468 HD2 PHE 66 HD2 PHE 66 15.690 19.959 -0.975 469 HE1 PHE 66 HE1 PHE 66 11.928 17.969 -3.442 470 HE2 PHE 66 HE2 PHE 66 13.479 21.038 -0.923 471 HZ PHE 66 HZ PHE 66 11.595 20.043 -2.157 472 H GLU 67 H GLU 67 16.219 14.892 -2.359 473 HA GLU 67 HA GLU 67 13.666 14.258 -1.361 474 HB2 GLU 67 2HB GLU 67 13.915 12.142 -2.553 475 HB3 GLU 67 3HB GLU 67 14.473 13.483 -3.544 476 HG2 GLU 67 2HG GLU 67 16.805 12.929 -2.795 477 HG3 GLU 67 3HG GLU 67 16.142 11.462 -2.078 478 H ARG 68 H ARG 68 16.894 13.170 -0.464 479 HA ARG 68 HA ARG 68 16.173 11.056 1.223 480 HB2 ARG 68 2HB ARG 68 18.480 11.503 0.439 481 HB3 ARG 68 3HB ARG 68 18.545 12.909 1.493 482 HG2 ARG 68 2HG ARG 68 18.632 11.628 3.417 483 HG3 ARG 68 3HG ARG 68 17.944 10.210 2.623 484 HD2 ARG 68 2HD ARG 68 20.361 10.913 1.292 485 HD3 ARG 68 3HD ARG 68 20.674 10.862 3.027 486 HE ARG 68 HE ARG 68 19.283 8.576 2.543 487 HH11 ARG 68 1HH1 ARG 68 22.166 9.999 1.208 488 HH12 ARG 68 2HH1 ARG 68 22.898 8.476 0.826 489 HH21 ARG 68 1HH2 ARG 68 20.237 6.564 2.045 490 HH22 ARG 68 2HH2 ARG 68 21.800 6.523 1.301 491 H MET 69 H MET 69 16.646 14.503 1.914 492 HA MET 69 HA MET 69 16.174 14.303 4.699 493 HB2 MET 69 2HB MET 69 17.336 16.212 3.654 494 HB3 MET 69 3HB MET 69 15.833 16.692 2.878 495 HG2 MET 69 2HG MET 69 15.905 18.091 4.696 496 HG3 MET 69 3HG MET 69 14.901 16.770 5.290 497 HE1 MET 69 1HE MET 69 15.363 15.315 7.156 498 HE2 MET 69 2HE MET 69 16.510 15.761 8.419 499 HE3 MET 69 3HE MET 69 15.258 16.900 7.922 500 H VAL 70 H VAL 70 14.082 15.352 2.014 501 HA VAL 70 HA VAL 70 11.780 15.912 3.429 502 HB VAL 70 HB VAL 70 11.943 14.618 0.703 503 HG11 VAL 70 1HG1 VAL 70 9.716 16.084 2.105 504 HG12 VAL 70 2HG1 VAL 70 9.737 15.764 0.369 505 HG13 VAL 70 3HG1 VAL 70 9.711 14.422 1.515 506 HG21 VAL 70 1HG2 VAL 70 11.358 17.440 0.733 507 HG22 VAL 70 2HG2 VAL 70 12.890 17.107 1.542 508 HG23 VAL 70 3HG2 VAL 70 12.634 16.568 -0.117 509 H LYS 71 H LYS 71 12.928 12.783 2.239 510 HA LYS 71 HA LYS 71 10.646 11.295 2.988 511 HB2 LYS 71 2HB LYS 71 12.430 10.548 1.387 512 HB3 LYS 71 3HB LYS 71 13.486 10.287 2.768 513 HG2 LYS 71 2HG LYS 71 10.849 8.975 2.888 514 HG3 LYS 71 3HG LYS 71 11.973 8.369 1.670 515 HD2 LYS 71 2HD LYS 71 12.689 8.725 4.576 516 HD3 LYS 71 3HD LYS 71 12.090 7.211 3.894 517 HE2 LYS 71 2HE LYS 71 13.996 7.323 2.256 518 HE3 LYS 71 3HE LYS 71 14.631 8.672 3.197 519 HZ1 LYS 71 1HZ LYS 71 15.616 7.178 4.479 520 HZ2 LYS 71 2HZ LYS 71 14.838 5.892 3.703 521 HZ3 LYS 71 3HZ LYS 71 14.095 6.664 5.012 522 H SER 72 H SER 72 13.574 12.217 4.696 523 HA SER 72 HA SER 72 13.243 10.510 6.925 524 HB2 SER 72 2HB SER 72 15.151 12.364 6.072 525 HB3 SER 72 3HB SER 72 14.545 13.018 7.594 526 HG SER 72 HG SER 72 15.155 10.294 7.476 527 H ARG 73 H ARG 73 12.467 13.960 6.485 528 HA ARG 73 HA ARG 73 11.230 14.275 9.005 529 HB2 ARG 73 2HB ARG 73 10.289 16.360 8.027 530 HB3 ARG 73 3HB ARG 73 12.026 16.206 7.803 531 HG2 ARG 73 2HG ARG 73 11.658 15.455 5.502 532 HG3 ARG 73 3HG ARG 73 9.918 15.635 5.730 533 HD2 ARG 73 2HD ARG 73 10.894 18.073 6.533 534 HD3 ARG 73 3HD ARG 73 11.963 17.649 5.197 535 HE ARG 73 HE ARG 73 9.390 17.160 4.318 536 HH11 ARG 73 1HH1 ARG 73 11.233 19.892 5.440 537 HH12 ARG 73 2HH1 ARG 73 10.351 21.043 4.492 538 HH21 ARG 73 1HH2 ARG 73 8.221 18.665 3.064 539 HH22 ARG 73 2HH2 ARG 73 8.637 20.344 3.141 540 H MET 74 H MET 74 10.030 13.312 5.848 541 HA MET 74 HA MET 74 7.266 13.471 6.519 542 HB2 MET 74 2HB MET 74 8.825 12.200 4.294 543 HB3 MET 74 3HB MET 74 7.109 11.861 4.475 544 HG2 MET 74 2HG MET 74 8.097 14.679 4.388 545 HG3 MET 74 3HG MET 74 7.871 13.758 2.903 546 HE1 MET 74 1HE MET 74 4.969 16.480 3.956 547 HE2 MET 74 2HE MET 74 6.730 16.435 3.880 548 HE3 MET 74 3HE MET 74 5.776 16.076 2.440 549 H ALA 75 H ALA 75 9.735 11.024 6.838 550 HA ALA 75 HA ALA 75 8.236 8.724 7.145 551 HB1 ALA 75 1HB ALA 75 10.691 9.457 8.736 552 HB2 ALA 75 2HB ALA 75 10.079 7.831 8.426 553 HB3 ALA 75 3HB ALA 75 10.703 8.807 7.096 554 H GLN 76 H GLN 76 8.774 11.341 9.425 555 HA GLN 76 HA GLN 76 7.693 10.020 11.695 556 HB2 GLN 76 2HB GLN 76 9.144 11.931 11.982 557 HB3 GLN 76 3HB GLN 76 8.041 12.956 11.074 558 HG2 GLN 76 2HG GLN 76 7.795 13.431 13.401 559 HG3 GLN 76 3HG GLN 76 6.340 12.612 12.834 560 HE21 GLN 76 1HE2 GLN 76 6.191 10.296 13.261 561 HE22 GLN 76 2HE2 GLN 76 6.892 9.670 14.710 562 H LYS 77 H LYS 77 6.330 12.240 9.294 563 HA LYS 77 HA LYS 77 3.726 12.240 10.502 564 HB2 LYS 77 2HB LYS 77 5.058 13.785 8.578 565 HB3 LYS 77 3HB LYS 77 3.728 13.022 7.717 566 HG2 LYS 77 2HG LYS 77 2.491 14.713 8.465 567 HG3 LYS 77 3HG LYS 77 2.527 13.887 10.024 568 HD2 LYS 77 2HD LYS 77 4.833 15.628 9.380 569 HD3 LYS 77 3HD LYS 77 3.295 16.432 9.702 570 HE2 LYS 77 2HE LYS 77 3.169 15.004 11.802 571 HE3 LYS 77 3HE LYS 77 4.860 14.602 11.505 572 HZ1 LYS 77 1HZ LYS 77 4.348 17.419 11.381 573 HZ2 LYS 77 2HZ LYS 77 5.519 16.573 12.260 574 HZ3 LYS 77 3HZ LYS 77 3.960 16.759 12.890 575 H ASP 78 H ASP 78 1.821 11.319 9.645 576 HA ASP 78 HA ASP 78 2.140 9.266 7.587 577 HB2 ASP 78 2HB ASP 78 1.370 8.793 10.438 578 HB3 ASP 78 3HB ASP 78 0.626 7.809 9.181 579 H SER 79 H SER 79 -0.165 8.203 7.255 580 HA SER 79 HA SER 79 -1.827 10.191 6.213 581 HB2 SER 79 2HB SER 79 -3.247 7.724 6.878 582 HB3 SER 79 3HB SER 79 -2.932 8.451 5.302 583 HG SER 79 HG SER 79 -0.919 7.481 5.283 584 HA PRO 80 HA PRO 80 -4.385 11.580 9.494 585 HB2 PRO 80 2HB PRO 80 -6.818 11.764 8.304 586 HB3 PRO 80 3HB PRO 80 -5.492 12.879 7.955 587 HG2 PRO 80 2HG PRO 80 -6.414 10.489 6.407 588 HG3 PRO 80 3HG PRO 80 -5.931 12.089 5.813 589 HD2 PRO 80 2HD PRO 80 -4.277 9.946 5.737 590 HD3 PRO 80 3HD PRO 80 -3.683 11.603 5.961 591 H GLU 81 H GLU 81 -5.667 8.813 7.692 592 HA GLU 81 HA GLU 81 -7.556 8.022 9.649 593 HB2 GLU 81 2HB GLU 81 -6.211 6.462 7.439 594 HB3 GLU 81 3HB GLU 81 -7.519 5.832 8.429 595 HG2 GLU 81 2HG GLU 81 -8.971 7.648 7.633 596 HG3 GLU 81 3HG GLU 81 -7.660 8.219 6.602 597 H GLU 82 H GLU 82 -4.213 7.058 8.993 598 HA GLU 82 HA GLU 82 -4.055 5.001 10.904 599 HB2 GLU 82 2HB GLU 82 -2.180 6.548 9.262 600 HB3 GLU 82 3HB GLU 82 -1.499 5.997 10.786 601 HG2 GLU 82 2HG GLU 82 -1.940 3.724 10.257 602 HG3 GLU 82 3HG GLU 82 -2.902 4.176 8.851 603 H VAL 83 H VAL 83 -3.254 8.452 11.111 604 HA VAL 83 HA VAL 83 -2.331 8.388 13.782 605 HB VAL 83 HB VAL 83 -3.517 10.718 12.268 606 HG11 VAL 83 1HG1 VAL 83 -3.447 11.106 14.671 607 HG12 VAL 83 2HG1 VAL 83 -1.742 10.653 14.707 608 HG13 VAL 83 3HG1 VAL 83 -2.252 12.104 13.843 609 HG21 VAL 83 1HG2 VAL 83 -0.652 10.739 12.550 610 HG22 VAL 83 2HG2 VAL 83 -1.186 9.269 11.734 611 HG23 VAL 83 3HG2 VAL 83 -1.634 10.848 11.089 612 H LEU 84 H LEU 84 -5.508 8.928 12.352 613 HA LEU 84 HA LEU 84 -6.840 9.779 14.676 614 HB2 LEU 84 2HB LEU 84 -7.570 8.825 12.010 615 HB3 LEU 84 3HB LEU 84 -8.762 8.445 13.251 616 HG LEU 84 HG LEU 84 -7.726 11.237 12.846 617 HD11 LEU 84 1HD1 LEU 84 -9.499 9.693 11.129 618 HD12 LEU 84 2HD1 LEU 84 -8.704 11.240 10.842 619 HD13 LEU 84 3HD1 LEU 84 -10.230 11.183 11.724 620 HD21 LEU 84 1HD2 LEU 84 -9.294 10.091 14.803 621 HD22 LEU 84 2HD2 LEU 84 -10.471 10.823 13.711 622 HD23 LEU 84 3HD2 LEU 84 -9.194 11.811 14.424 623 H LYS 85 H LYS 85 -6.515 6.542 13.240 624 HA LYS 85 HA LYS 85 -7.990 5.194 15.239 625 HB2 LYS 85 2HB LYS 85 -7.601 4.182 13.065 626 HB3 LYS 85 3HB LYS 85 -5.864 4.181 13.343 627 HG2 LYS 85 2HG LYS 85 -7.313 2.798 15.441 628 HG3 LYS 85 3HG LYS 85 -7.606 2.106 13.843 629 HD2 LYS 85 2HD LYS 85 -4.855 2.696 14.924 630 HD3 LYS 85 3HD LYS 85 -5.655 1.131 15.096 631 HE2 LYS 85 2HE LYS 85 -5.869 1.868 12.383 632 HE3 LYS 85 3HE LYS 85 -4.204 2.187 12.866 633 HZ1 LYS 85 1HZ LYS 85 -5.452 -0.369 13.604 634 HZ2 LYS 85 2HZ LYS 85 -3.822 -0.012 13.332 635 HZ3 LYS 85 3HZ LYS 85 -4.885 -0.154 12.025 636 H ALA 86 H ALA 86 -4.558 5.927 14.875 637 HA ALA 86 HA ALA 86 -3.581 4.368 16.989 638 HB1 ALA 86 1HB ALA 86 -1.971 6.649 16.878 639 HB2 ALA 86 2HB ALA 86 -1.709 5.111 16.053 640 HB3 ALA 86 3HB ALA 86 -2.572 6.415 15.237 641 H PHE 87 H PHE 87 -4.675 7.748 16.927 642 HA PHE 87 HA PHE 87 -4.148 8.275 19.652 643 HB2 PHE 87 2HB PHE 87 -4.532 9.989 17.834 644 HB3 PHE 87 3HB PHE 87 -6.249 9.621 17.952 645 HD1 PHE 87 HD1 PHE 87 -3.355 10.708 20.019 646 HD2 PHE 87 HD2 PHE 87 -7.572 10.781 19.451 647 HE1 PHE 87 HE1 PHE 87 -3.571 12.332 21.855 648 HE2 PHE 87 HE2 PHE 87 -7.795 12.406 21.285 649 HZ PHE 87 HZ PHE 87 -5.792 13.184 22.489 650 H GLN 88 H GLN 88 -7.175 7.463 17.963 651 HA GLN 88 HA GLN 88 -8.894 7.464 20.125 652 HB2 GLN 88 2HB GLN 88 -9.393 7.100 17.626 653 HB3 GLN 88 3HB GLN 88 -9.081 5.399 17.946 654 HG2 GLN 88 2HG GLN 88 -10.859 6.256 19.939 655 HG3 GLN 88 3HG GLN 88 -11.448 6.931 18.421 656 HE21 GLN 88 1HE2 GLN 88 -11.465 4.271 20.404 657 HE22 GLN 88 2HE2 GLN 88 -12.043 3.094 19.280 658 H LEU 89 H LEU 89 -6.824 4.838 18.955 659 HA LEU 89 HA LEU 89 -7.706 2.908 20.828 660 HB2 LEU 89 2HB LEU 89 -6.513 2.397 18.719 661 HB3 LEU 89 3HB LEU 89 -5.045 3.074 19.421 662 HG LEU 89 HG LEU 89 -5.552 1.232 21.276 663 HD11 LEU 89 1HD1 LEU 89 -6.320 -0.443 18.996 664 HD12 LEU 89 2HD1 LEU 89 -7.576 0.659 19.560 665 HD13 LEU 89 3HD1 LEU 89 -6.849 -0.495 20.678 666 HD21 LEU 89 1HD2 LEU 89 -4.188 0.877 18.617 667 HD22 LEU 89 2HD2 LEU 89 -4.085 -0.311 19.917 668 HD23 LEU 89 3HD2 LEU 89 -3.467 1.323 20.164 669 H PHE 90 H PHE 90 -4.963 5.154 20.805 670 HA PHE 90 HA PHE 90 -3.795 4.286 23.213 671 HB2 PHE 90 2HB PHE 90 -3.202 6.183 21.271 672 HB3 PHE 90 3HB PHE 90 -3.470 7.139 22.725 673 HD1 PHE 90 HD1 PHE 90 -1.958 7.038 24.574 674 HD2 PHE 90 HD2 PHE 90 -1.406 4.528 21.181 675 HE1 PHE 90 HE1 PHE 90 0.309 6.487 25.355 676 HE2 PHE 90 HE2 PHE 90 0.862 3.972 21.957 677 HZ PHE 90 HZ PHE 90 1.722 4.951 24.046 678 H ASP 91 H ASP 91 -6.421 6.487 22.527 679 HA ASP 91 HA ASP 91 -7.098 6.536 25.357 680 HB2 ASP 91 2HB ASP 91 -7.104 9.160 23.903 681 HB3 ASP 91 3HB ASP 91 -7.093 8.851 25.637 682 H LEU 92 H LEU 92 -9.152 5.947 25.462 683 HA LEU 92 HA LEU 92 -10.891 5.821 23.270 684 HB2 LEU 92 2HB LEU 92 -12.639 5.337 24.907 685 HB3 LEU 92 3HB LEU 92 -11.170 4.416 25.219 686 HG LEU 92 HG LEU 92 -10.917 6.691 26.801 687 HD11 LEU 92 1HD1 LEU 92 -13.296 7.177 26.377 688 HD12 LEU 92 2HD1 LEU 92 -12.967 6.814 28.071 689 HD13 LEU 92 3HD1 LEU 92 -13.716 5.597 27.038 690 HD21 LEU 92 1HD2 LEU 92 -11.861 3.911 27.493 691 HD22 LEU 92 2HD2 LEU 92 -11.263 5.100 28.651 692 HD23 LEU 92 3HD2 LEU 92 -10.188 4.464 27.405 693 H ASP 93 H ASP 93 -10.347 8.317 25.663 694 HA ASP 93 HA ASP 93 -12.524 9.921 24.521 695 HB2 ASP 93 2HB ASP 93 -11.258 9.747 27.166 696 HB3 ASP 93 3HB ASP 93 -11.535 11.395 26.611 697 H LYS 94 H LYS 94 -11.899 12.408 24.692 698 HA LYS 94 HA LYS 94 -9.282 12.735 23.375 699 HB2 LYS 94 2HB LYS 94 -10.400 14.641 22.119 700 HB3 LYS 94 3HB LYS 94 -10.882 13.014 21.656 701 HG2 LYS 94 2HG LYS 94 -12.509 14.342 23.737 702 HG3 LYS 94 3HG LYS 94 -12.626 14.981 22.095 703 HD2 LYS 94 2HD LYS 94 -13.373 12.915 21.236 704 HD3 LYS 94 3HD LYS 94 -12.900 12.048 22.699 705 HE2 LYS 94 2HE LYS 94 -14.682 14.032 23.542 706 HE3 LYS 94 3HE LYS 94 -15.383 13.367 22.068 707 HZ1 LYS 94 1HZ LYS 94 -16.097 11.679 23.287 708 HZ2 LYS 94 2HZ LYS 94 -15.258 12.220 24.652 709 HZ3 LYS 94 3HZ LYS 94 -14.492 11.205 23.536 710 H LYS 95 H LYS 95 -8.616 13.153 25.646 711 HA LYS 95 HA LYS 95 -9.539 15.555 26.924 712 HB2 LYS 95 2HB LYS 95 -7.701 15.108 28.532 713 HB3 LYS 95 3HB LYS 95 -8.767 13.728 28.302 714 HG2 LYS 95 2HG LYS 95 -6.741 13.399 26.417 715 HG3 LYS 95 3HG LYS 95 -5.929 13.942 27.887 716 HD2 LYS 95 2HD LYS 95 -8.003 11.808 28.083 717 HD3 LYS 95 3HD LYS 95 -6.401 11.391 27.469 718 HE2 LYS 95 2HE LYS 95 -6.025 12.995 29.763 719 HE3 LYS 95 3HE LYS 95 -7.249 11.793 30.169 720 HZ1 LYS 95 1HZ LYS 95 -5.558 10.191 29.034 721 HZ2 LYS 95 2HZ LYS 95 -5.339 10.661 30.644 722 HZ3 LYS 95 3HZ LYS 95 -4.440 11.402 29.417 723 H GLY 96 H GLY 96 -6.835 14.636 24.881 724 HA2 GLY 96 2HA GLY 96 -5.400 15.961 23.656 725 HA3 GLY 96 3HA GLY 96 -6.337 17.357 24.168 726 H LYS 97 H LYS 97 -5.223 15.389 26.715 727 HA LYS 97 HA LYS 97 -3.079 17.331 27.274 728 HB2 LYS 97 2HB LYS 97 -5.186 16.140 28.941 729 HB3 LYS 97 3HB LYS 97 -3.590 16.121 29.679 730 HG2 LYS 97 2HG LYS 97 -3.812 18.679 28.656 731 HG3 LYS 97 3HG LYS 97 -5.425 18.324 29.281 732 HD2 LYS 97 2HD LYS 97 -2.895 17.892 30.860 733 HD3 LYS 97 3HD LYS 97 -3.844 19.379 30.927 734 HE2 LYS 97 2HE LYS 97 -5.151 16.731 31.403 735 HE3 LYS 97 3HE LYS 97 -4.241 17.514 32.694 736 HZ1 LYS 97 1HZ LYS 97 -6.467 18.799 31.209 737 HZ2 LYS 97 2HZ LYS 97 -5.666 19.411 32.567 738 HZ3 LYS 97 3HZ LYS 97 -6.641 18.036 32.709 739 H ILE 98 H ILE 98 -1.253 16.384 26.552 740 HA ILE 98 HA ILE 98 -0.536 13.800 27.747 741 HB ILE 98 HB ILE 98 -0.027 14.535 24.862 742 HG12 ILE 98 2HG1 ILE 98 -1.437 12.132 24.998 743 HG13 ILE 98 3HG1 ILE 98 -2.221 13.164 26.188 744 HG21 ILE 98 1HG2 ILE 98 0.675 12.041 24.854 745 HG22 ILE 98 2HG2 ILE 98 1.803 13.251 25.464 746 HG23 ILE 98 3HG2 ILE 98 0.871 12.267 26.592 747 HD11 ILE 98 1HD1 ILE 98 -3.155 13.206 23.842 748 HD12 ILE 98 2HD1 ILE 98 -2.785 14.769 24.571 749 HD13 ILE 98 3HD1 ILE 98 -1.689 14.070 23.379 750 H SER 99 H SER 99 1.424 13.782 28.651 751 HA SER 99 HA SER 99 2.971 16.142 28.819 752 HB2 SER 99 2HB SER 99 3.031 13.459 29.957 753 HB3 SER 99 3HB SER 99 4.649 14.077 29.626 754 HG SER 99 HG SER 99 4.164 15.889 30.879 755 H PHE 100 H PHE 100 4.702 16.838 27.706 756 HA PHE 100 HA PHE 100 5.251 15.967 25.142 757 HB2 PHE 100 2HB PHE 100 7.290 17.339 25.268 758 HB3 PHE 100 3HB PHE 100 5.907 18.177 25.965 759 HD1 PHE 100 HD1 PHE 100 5.741 18.507 28.378 760 HD2 PHE 100 HD2 PHE 100 9.151 16.670 26.614 761 HE1 PHE 100 HE1 PHE 100 7.006 18.865 30.458 762 HE2 PHE 100 HE2 PHE 100 10.421 17.023 28.691 763 HZ PHE 100 HZ PHE 100 9.349 18.122 30.617 764 H ALA 101 H ALA 101 6.749 15.018 28.182 765 HA ALA 101 HA ALA 101 8.909 13.564 27.117 766 HB1 ALA 101 1HB ALA 101 9.198 13.956 29.349 767 HB2 ALA 101 2HB ALA 101 7.507 13.639 29.738 768 HB3 ALA 101 3HB ALA 101 8.602 12.297 29.408 769 H ASN 102 H ASN 102 5.724 12.441 28.263 770 HA ASN 102 HA ASN 102 6.034 9.743 27.674 771 HB2 ASN 102 2HB ASN 102 3.720 11.568 28.049 772 HB3 ASN 102 3HB ASN 102 3.394 10.023 27.267 773 HD21 ASN 102 1HD2 ASN 102 2.068 9.830 29.265 774 HD22 ASN 102 2HD2 ASN 102 2.826 9.147 30.660 775 H LEU 103 H LEU 103 4.691 12.330 25.637 776 HA LEU 103 HA LEU 103 4.036 10.783 23.417 777 HB2 LEU 103 2HB LEU 103 3.464 13.201 23.855 778 HB3 LEU 103 3HB LEU 103 5.090 13.600 23.304 779 HG LEU 103 HG LEU 103 4.231 12.181 21.188 780 HD11 LEU 103 1HD1 LEU 103 2.037 11.717 21.885 781 HD12 LEU 103 2HD1 LEU 103 1.887 13.056 20.748 782 HD13 LEU 103 3HD1 LEU 103 1.789 13.358 22.483 783 HD21 LEU 103 1HD2 LEU 103 5.177 14.275 20.825 784 HD22 LEU 103 2HD2 LEU 103 3.999 15.095 21.851 785 HD23 LEU 103 3HD2 LEU 103 3.515 14.479 20.270 786 H LYS 104 H LYS 104 7.053 12.528 24.123 787 HA LYS 104 HA LYS 104 8.445 11.915 21.801 788 HB2 LYS 104 2HB LYS 104 9.187 13.505 23.579 789 HB3 LYS 104 3HB LYS 104 9.621 12.125 24.578 790 HG2 LYS 104 2HG LYS 104 10.847 11.816 22.029 791 HG3 LYS 104 3HG LYS 104 11.179 13.443 22.628 792 HD2 LYS 104 2HD LYS 104 11.460 11.239 24.579 793 HD3 LYS 104 3HD LYS 104 12.656 11.296 23.281 794 HE2 LYS 104 2HE LYS 104 11.963 13.677 24.988 795 HE3 LYS 104 3HE LYS 104 13.250 12.543 25.398 796 HZ1 LYS 104 1HZ LYS 104 13.081 14.322 23.036 797 HZ2 LYS 104 2HZ LYS 104 14.184 13.044 23.135 798 HZ3 LYS 104 3HZ LYS 104 14.259 14.314 24.250 799 H GLU 105 H GLU 105 8.391 10.120 24.877 800 HA GLU 105 HA GLU 105 10.105 8.054 24.163 801 HB2 GLU 105 2HB GLU 105 9.281 8.433 26.454 802 HB3 GLU 105 3HB GLU 105 7.680 7.899 25.962 803 HG2 GLU 105 2HG GLU 105 8.329 5.904 26.708 804 HG3 GLU 105 3HG GLU 105 9.220 5.793 25.191 805 H VAL 106 H VAL 106 6.564 8.205 23.850 806 HA VAL 106 HA VAL 106 6.144 5.687 22.750 807 HB VAL 106 HB VAL 106 4.619 8.223 22.138 808 HG11 VAL 106 1HG1 VAL 106 3.614 6.908 20.625 809 HG12 VAL 106 2HG1 VAL 106 4.272 5.429 21.329 810 HG13 VAL 106 3HG1 VAL 106 2.829 6.171 22.022 811 HG21 VAL 106 1HG2 VAL 106 3.765 8.119 24.186 812 HG22 VAL 106 2HG2 VAL 106 3.319 6.428 23.961 813 HG23 VAL 106 3HG2 VAL 106 4.923 6.844 24.565 814 H ALA 107 H ALA 107 6.984 8.735 21.166 815 HA ALA 107 HA ALA 107 6.747 7.834 18.508 816 HB1 ALA 107 1HB ALA 107 6.846 10.111 18.585 817 HB2 ALA 107 2HB ALA 107 8.075 10.128 19.850 818 HB3 ALA 107 3HB ALA 107 8.528 9.759 18.186 819 H LYS 108 H LYS 108 9.589 8.081 20.638 820 HA LYS 108 HA LYS 108 11.440 7.025 18.797 821 HB2 LYS 108 2HB LYS 108 11.491 7.047 21.820 822 HB3 LYS 108 3HB LYS 108 12.863 6.624 20.804 823 HG2 LYS 108 2HG LYS 108 11.475 9.293 20.923 824 HG3 LYS 108 3HG LYS 108 13.072 8.899 21.564 825 HD2 LYS 108 2HD LYS 108 13.790 8.339 19.244 826 HD3 LYS 108 3HD LYS 108 12.225 8.917 18.668 827 HE2 LYS 108 2HE LYS 108 13.922 10.679 20.384 828 HE3 LYS 108 3HE LYS 108 14.295 10.508 18.669 829 HZ1 LYS 108 1HZ LYS 108 12.779 12.075 18.333 830 HZ2 LYS 108 2HZ LYS 108 12.212 11.996 19.924 831 HZ3 LYS 108 3HZ LYS 108 11.595 10.942 18.754 832 H LEU 109 H LEU 109 9.194 5.525 21.005 833 HA LEU 109 HA LEU 109 10.302 2.953 21.123 834 HB2 LEU 109 2HB LEU 109 8.529 3.663 22.609 835 HB3 LEU 109 3HB LEU 109 7.422 3.833 21.248 836 HG LEU 109 HG LEU 109 8.031 1.237 20.987 837 HD11 LEU 109 1HD1 LEU 109 8.835 1.989 23.705 838 HD12 LEU 109 2HD1 LEU 109 9.281 0.588 22.731 839 HD13 LEU 109 3HD1 LEU 109 7.751 0.601 23.609 840 HD21 LEU 109 1HD2 LEU 109 5.796 2.345 21.224 841 HD22 LEU 109 2HD2 LEU 109 5.991 2.223 22.972 842 HD23 LEU 109 3HD2 LEU 109 5.922 0.760 21.989 843 H LEU 110 H LEU 110 8.446 4.561 18.654 844 HA LEU 110 HA LEU 110 7.700 2.229 17.204 845 HB2 LEU 110 2HB LEU 110 8.010 5.054 16.202 846 HB3 LEU 110 3HB LEU 110 7.120 3.755 15.411 847 HG LEU 110 HG LEU 110 6.344 4.751 18.135 848 HD11 LEU 110 1HD1 LEU 110 4.860 6.334 17.174 849 HD12 LEU 110 2HD1 LEU 110 5.236 5.793 15.539 850 HD13 LEU 110 3HD1 LEU 110 6.455 6.643 16.488 851 HD21 LEU 110 1HD2 LEU 110 5.259 2.743 17.647 852 HD22 LEU 110 2HD2 LEU 110 5.043 3.163 15.948 853 HD23 LEU 110 3HD2 LEU 110 4.088 3.979 17.187 854 H GLY 111 H GLY 111 10.643 3.877 17.586 855 HA2 GLY 111 2HA GLY 111 12.715 3.115 16.792 856 HA3 GLY 111 3HA GLY 111 11.875 2.172 15.570 857 H GLU 112 H GLU 112 10.923 5.454 15.923 858 HA GLU 112 HA GLU 112 12.116 6.053 13.321 859 HB2 GLU 112 2HB GLU 112 9.604 6.487 14.215 860 HB3 GLU 112 3HB GLU 112 10.342 8.029 14.628 861 HG2 GLU 112 2HG GLU 112 9.311 8.161 12.457 862 HG3 GLU 112 3HG GLU 112 11.061 8.296 12.300 863 H ASN 113 H ASN 113 13.682 7.529 13.022 864 HA ASN 113 HA ASN 113 14.565 9.068 15.376 865 HB2 ASN 113 2HB ASN 113 16.056 7.148 14.428 866 HB3 ASN 113 3HB ASN 113 16.429 8.302 13.151 867 HD21 ASN 113 1HD2 ASN 113 18.307 7.243 14.943 868 HD22 ASN 113 2HD2 ASN 113 18.918 8.537 15.911 869 HA PRO 114 HA PRO 114 13.360 12.003 11.961 870 HB2 PRO 114 2HB PRO 114 11.857 13.618 13.545 871 HB3 PRO 114 3HB PRO 114 11.206 12.186 12.739 872 HG2 PRO 114 2HG PRO 114 12.117 12.515 15.571 873 HG3 PRO 114 3HG PRO 114 10.681 11.682 14.948 874 HD2 PRO 114 2HD PRO 114 12.924 10.360 15.691 875 HD3 PRO 114 3HD PRO 114 11.870 9.791 14.381 876 H GLY 115 H GLY 115 13.621 14.449 12.015 877 HA2 GLY 115 2HA GLY 115 16.190 15.052 13.137 878 HA3 GLY 115 3HA GLY 115 15.181 16.142 12.197 879 H ASP 116 H ASP 116 16.738 16.351 14.813 880 HA ASP 116 HA ASP 116 15.057 16.628 16.994 881 HB2 ASP 116 2HB ASP 116 17.449 18.344 16.291 882 HB3 ASP 116 3HB ASP 116 16.722 18.203 17.890 883 H ASP 117 H ASP 117 15.604 18.817 14.305 884 HA ASP 117 HA ASP 117 14.389 21.114 15.326 885 HB2 ASP 117 2HB ASP 117 14.386 20.154 12.457 886 HB3 ASP 117 3HB ASP 117 14.106 21.806 12.998 887 H VAL 118 H VAL 118 13.003 18.260 13.804 888 HA VAL 118 HA VAL 118 10.366 19.290 13.552 889 HB VAL 118 HB VAL 118 11.244 16.404 13.725 890 HG11 VAL 118 1HG1 VAL 118 8.935 16.393 14.049 891 HG12 VAL 118 2HG1 VAL 118 8.676 17.731 12.927 892 HG13 VAL 118 3HG1 VAL 118 9.114 16.136 12.314 893 HG21 VAL 118 1HG2 VAL 118 11.636 18.395 11.688 894 HG22 VAL 118 2HG2 VAL 118 12.208 16.728 11.747 895 HG23 VAL 118 3HG2 VAL 118 10.614 17.090 11.085 896 H LEU 119 H LEU 119 12.123 17.703 16.118 897 HA LEU 119 HA LEU 119 9.854 17.032 17.704 898 HB2 LEU 119 2HB LEU 119 12.456 16.331 17.761 899 HB3 LEU 119 3HB LEU 119 12.433 17.535 19.048 900 HG LEU 119 HG LEU 119 12.167 15.346 20.002 901 HD11 LEU 119 1HD1 LEU 119 10.557 17.459 20.529 902 HD12 LEU 119 2HD1 LEU 119 10.583 15.965 21.465 903 HD13 LEU 119 3HD1 LEU 119 9.366 16.198 20.210 904 HD21 LEU 119 1HD2 LEU 119 9.579 14.882 18.611 905 HD22 LEU 119 2HD2 LEU 119 10.729 13.723 19.279 906 HD23 LEU 119 3HD2 LEU 119 11.075 14.526 17.746 907 H GLN 120 H GLN 120 12.323 19.584 18.057 908 HA GLN 120 HA GLN 120 11.072 20.923 20.177 909 HB2 GLN 120 2HB GLN 120 12.785 22.250 18.081 910 HB3 GLN 120 3HB GLN 120 12.585 22.716 19.765 911 HG2 GLN 120 2HG GLN 120 14.124 20.421 18.621 912 HG3 GLN 120 3HG GLN 120 14.679 21.710 19.687 913 HE21 GLN 120 1HE2 GLN 120 14.381 18.597 19.703 914 HE22 GLN 120 2HE2 GLN 120 13.824 18.290 21.309 915 H GLU 121 H GLU 121 10.869 21.430 16.673 916 HA GLU 121 HA GLU 121 9.220 23.706 16.752 917 HB2 GLU 121 2HB GLU 121 9.690 21.591 14.661 918 HB3 GLU 121 3HB GLU 121 8.569 22.919 14.395 919 HG2 GLU 121 2HG GLU 121 11.316 23.578 15.297 920 HG3 GLU 121 3HG GLU 121 11.091 23.041 13.634 921 H MET 122 H MET 122 8.434 20.254 16.494 922 HA MET 122 HA MET 122 5.676 20.480 16.194 923 HB2 MET 122 2HB MET 122 6.747 18.358 15.869 924 HB3 MET 122 3HB MET 122 7.338 18.341 17.525 925 HG2 MET 122 2HG MET 122 5.423 17.527 18.332 926 HG3 MET 122 3HG MET 122 4.435 18.564 17.305 927 HE1 MET 122 1HE MET 122 6.690 15.406 17.414 928 HE2 MET 122 2HE MET 122 6.317 14.598 15.891 929 HE3 MET 122 3HE MET 122 7.228 16.109 15.888 930 H ILE 123 H ILE 123 7.520 19.988 19.207 931 HA ILE 123 HA ILE 123 5.351 20.141 20.961 932 HB ILE 123 HB ILE 123 8.216 20.949 21.474 933 HG12 ILE 123 2HG1 ILE 123 7.934 18.619 20.682 934 HG13 ILE 123 3HG1 ILE 123 8.493 18.694 22.350 935 HG21 ILE 123 1HG2 ILE 123 7.428 21.698 23.421 936 HG22 ILE 123 2HG2 ILE 123 5.841 20.982 23.146 937 HG23 ILE 123 3HG2 ILE 123 7.140 20.007 23.831 938 HD11 ILE 123 1HD1 ILE 123 6.305 17.284 21.337 939 HD12 ILE 123 2HD1 ILE 123 6.767 17.493 23.027 940 HD13 ILE 123 3HD1 ILE 123 5.631 18.615 22.278 941 H ALA 124 H ALA 124 7.385 22.671 19.587 942 HA ALA 124 HA ALA 124 6.501 24.814 21.164 943 HB1 ALA 124 1HB ALA 124 8.136 25.754 19.995 944 HB2 ALA 124 2HB ALA 124 8.096 24.455 18.802 945 HB3 ALA 124 3HB ALA 124 7.035 25.852 18.620 946 H GLU 125 H GLU 125 5.287 23.559 18.072 947 HA GLU 125 HA GLU 125 3.274 25.504 17.720 948 HB2 GLU 125 2HB GLU 125 3.856 22.816 16.570 949 HB3 GLU 125 3HB GLU 125 2.249 23.486 16.327 950 HG2 GLU 125 2HG GLU 125 4.637 25.155 15.708 951 HG3 GLU 125 3HG GLU 125 4.138 23.896 14.580 952 H ALA 126 H ALA 126 3.144 22.202 19.037 953 HA ALA 126 HA ALA 126 0.398 22.208 19.647 954 HB1 ALA 126 1HB ALA 126 2.302 20.652 21.326 955 HB2 ALA 126 2HB ALA 126 0.750 20.172 20.636 956 HB3 ALA 126 3HB ALA 126 2.179 20.277 19.607 957 H ASP 127 H ASP 127 3.163 23.506 21.315 958 HA ASP 127 HA ASP 127 2.050 23.745 23.892 959 HB2 ASP 127 2HB ASP 127 4.459 23.987 23.438 960 HB3 ASP 127 3HB ASP 127 4.141 25.482 22.562 961 H GLU 128 H GLU 128 1.672 25.616 20.989 962 HA GLU 128 HA GLU 128 0.707 28.005 22.137 963 HB2 GLU 128 2HB GLU 128 1.351 27.255 19.623 964 HB3 GLU 128 3HB GLU 128 -0.402 27.182 19.520 965 HG2 GLU 128 2HG GLU 128 -0.507 29.373 19.286 966 HG3 GLU 128 3HG GLU 128 0.326 29.602 20.822 967 H ASP 129 H ASP 129 -0.761 24.923 21.544 968 HA ASP 129 HA ASP 129 -3.470 25.695 21.552 969 HB2 ASP 129 2HB ASP 129 -2.825 23.489 20.795 970 HB3 ASP 129 3HB ASP 129 -2.161 23.097 22.379 971 H GLY 130 H GLY 130 -1.185 25.031 24.137 972 HA2 GLY 130 2HA GLY 130 -3.098 26.174 26.038 973 HA3 GLY 130 3HA GLY 130 -2.466 24.570 26.381 974 H ASP 131 H ASP 131 -1.216 24.918 28.128 975 HA ASP 131 HA ASP 131 1.022 26.801 27.799 976 HB2 ASP 131 2HB ASP 131 -0.912 26.551 30.051 977 HB3 ASP 131 3HB ASP 131 0.769 26.893 30.451 978 H GLY 132 H GLY 132 2.407 25.122 27.190 979 HA2 GLY 132 2HA GLY 132 4.129 23.673 27.745 980 HA3 GLY 132 3HA GLY 132 3.548 23.671 29.404 981 H GLU 133 H GLU 133 1.278 22.972 26.906 982 HA GLU 133 HA GLU 133 1.482 20.098 27.522 983 HB2 GLU 133 2HB GLU 133 -0.944 21.867 27.402 984 HB3 GLU 133 3HB GLU 133 -1.076 20.137 27.123 985 HG2 GLU 133 2HG GLU 133 -0.627 19.607 29.292 986 HG3 GLU 133 3HG GLU 133 0.349 21.050 29.560 987 H VAL 134 H VAL 134 0.855 18.650 25.863 988 HA VAL 134 HA VAL 134 0.967 19.843 23.172 989 HB VAL 134 HB VAL 134 1.750 17.052 24.025 990 HG11 VAL 134 1HG1 VAL 134 1.193 18.226 21.441 991 HG12 VAL 134 2HG1 VAL 134 2.846 17.614 21.536 992 HG13 VAL 134 3HG1 VAL 134 1.486 16.542 21.874 993 HG21 VAL 134 1HG2 VAL 134 4.051 17.867 23.385 994 HG22 VAL 134 2HG2 VAL 134 3.380 19.499 23.376 995 HG23 VAL 134 3HG2 VAL 134 3.381 18.554 24.865 996 H SER 135 H SER 135 -0.946 19.902 22.205 997 HA SER 135 HA SER 135 -2.871 17.740 22.741 998 HB2 SER 135 2HB SER 135 -3.900 19.758 23.377 999 HB3 SER 135 3HB SER 135 -3.238 20.635 21.998 1000 HG SER 135 HG SER 135 -5.560 19.287 22.197 1001 H PHE 136 H PHE 136 -2.478 16.234 21.210 1002 HA PHE 136 HA PHE 136 -1.580 16.653 18.615 1003 HB2 PHE 136 2HB PHE 136 -2.411 14.450 20.168 1004 HB3 PHE 136 3HB PHE 136 -3.363 14.393 18.689 1005 HD1 PHE 136 HD1 PHE 136 -0.594 13.068 20.105 1006 HD2 PHE 136 HD2 PHE 136 -1.728 15.136 16.561 1007 HE1 PHE 136 HE1 PHE 136 1.321 12.078 18.919 1008 HE2 PHE 136 HE2 PHE 136 0.185 14.148 15.369 1009 HZ PHE 136 HZ PHE 136 1.711 12.617 16.547 1010 H GLU 137 H GLU 137 -4.806 16.844 19.942 1011 HA GLU 137 HA GLU 137 -6.370 16.661 17.675 1012 HB2 GLU 137 2HB GLU 137 -7.371 16.832 19.862 1013 HB3 GLU 137 3HB GLU 137 -6.703 18.442 20.091 1014 HG2 GLU 137 2HG GLU 137 -8.129 19.336 18.379 1015 HG3 GLU 137 3HG GLU 137 -8.717 17.725 17.974 1016 H GLU 138 H GLU 138 -4.473 19.386 18.848 1017 HA GLU 138 HA GLU 138 -5.468 21.336 17.081 1018 HB2 GLU 138 2HB GLU 138 -3.632 21.285 19.144 1019 HB3 GLU 138 3HB GLU 138 -2.635 21.627 17.737 1020 HG2 GLU 138 2HG GLU 138 -4.943 23.260 17.578 1021 HG3 GLU 138 3HG GLU 138 -4.294 23.389 19.212 1022 H PHE 139 H PHE 139 -2.634 19.204 16.841 1023 HA PHE 139 HA PHE 139 -1.694 20.119 14.373 1024 HB2 PHE 139 2HB PHE 139 -1.254 17.791 16.093 1025 HB3 PHE 139 3HB PHE 139 -1.036 17.442 14.381 1026 HD1 PHE 139 HD1 PHE 139 1.092 17.653 13.572 1027 HD2 PHE 139 HD2 PHE 139 -0.136 20.144 16.797 1028 HE1 PHE 139 HE1 PHE 139 3.341 18.647 13.656 1029 HE2 PHE 139 HE2 PHE 139 2.111 21.143 16.885 1030 HZ PHE 139 HZ PHE 139 3.852 20.396 15.313 1031 H LYS 140 H LYS 140 -3.884 17.416 15.110 1032 HA LYS 140 HA LYS 140 -4.299 16.530 12.500 1033 HB2 LYS 140 2HB LYS 140 -5.017 15.340 14.571 1034 HB3 LYS 140 3HB LYS 140 -6.316 16.513 14.751 1035 HG2 LYS 140 2HG LYS 140 -7.329 14.666 13.756 1036 HG3 LYS 140 3HG LYS 140 -7.060 15.789 12.420 1037 HD2 LYS 140 2HD LYS 140 -4.796 14.019 12.852 1038 HD3 LYS 140 3HD LYS 140 -6.286 13.133 12.517 1039 HE2 LYS 140 2HE LYS 140 -5.313 15.434 10.836 1040 HE3 LYS 140 3HE LYS 140 -4.900 13.753 10.504 1041 HZ1 LYS 140 1HZ LYS 140 -6.936 13.325 9.708 1042 HZ2 LYS 140 2HZ LYS 140 -7.045 15.001 9.507 1043 HZ3 LYS 140 3HZ LYS 140 -7.723 14.267 10.872 1044 H SER 141 H SER 141 -6.204 18.859 14.403 1045 HA SER 141 HA SER 141 -8.143 19.447 12.508 1046 HB2 SER 141 2HB SER 141 -8.453 20.285 14.710 1047 HB3 SER 141 3HB SER 141 -6.909 21.136 14.685 1048 HG SER 141 HG SER 141 -9.359 21.905 13.715 1049 H VAL 142 H VAL 142 -5.030 21.084 13.055 1050 HA VAL 142 HA VAL 142 -5.231 23.011 11.062 1051 HB VAL 142 HB VAL 142 -2.732 21.601 12.009 1052 HG11 VAL 142 1HG1 VAL 142 -3.197 23.770 10.094 1053 HG12 VAL 142 2HG1 VAL 142 -1.992 24.133 11.332 1054 HG13 VAL 142 3HG1 VAL 142 -1.799 22.715 10.299 1055 HG21 VAL 142 1HG2 VAL 142 -4.486 23.168 13.461 1056 HG22 VAL 142 2HG2 VAL 142 -2.807 22.825 13.875 1057 HG23 VAL 142 3HG2 VAL 142 -3.214 24.293 12.987 1058 H MET 143 H MET 143 -3.813 19.752 10.871 1059 HA MET 143 HA MET 143 -2.977 19.822 8.225 1060 HB2 MET 143 2HB MET 143 -2.354 18.008 9.705 1061 HB3 MET 143 3HB MET 143 -4.031 17.495 9.840 1062 HG2 MET 143 2HG MET 143 -4.070 16.833 7.533 1063 HG3 MET 143 3HG MET 143 -2.454 17.488 7.279 1064 HE1 MET 143 1HE MET 143 -0.034 15.098 8.434 1065 HE2 MET 143 2HE MET 143 -0.706 15.113 6.803 1066 HE3 MET 143 3HE MET 143 -0.493 16.627 7.683 1067 H MET 144 H MET 144 -6.134 18.890 9.551 1068 HA MET 144 HA MET 144 -7.325 18.128 7.128 1069 HB2 MET 144 2HB MET 144 -8.107 18.026 9.696 1070 HB3 MET 144 3HB MET 144 -9.033 19.427 9.176 1071 HG2 MET 144 2HG MET 144 -9.713 17.865 7.193 1072 HG3 MET 144 3HG MET 144 -9.243 16.588 8.313 1073 HE1 MET 144 1HE MET 144 -12.838 19.408 8.653 1074 HE2 MET 144 2HE MET 144 -11.206 20.074 8.586 1075 HE3 MET 144 3HE MET 144 -11.830 19.129 7.233 1076 H GLN 145 H GLN 145 -7.200 21.258 8.782 1077 HA GLN 145 HA GLN 145 -8.891 22.680 7.072 1078 HB2 GLN 145 2HB GLN 145 -7.992 23.465 9.284 1079 HB3 GLN 145 3HB GLN 145 -6.462 23.790 8.481 1080 HG2 GLN 145 2HG GLN 145 -7.956 25.209 6.871 1081 HG3 GLN 145 3HG GLN 145 -9.070 25.201 8.237 1082 HE21 GLN 145 1HE2 GLN 145 -5.869 26.123 7.162 1083 HE22 GLN 145 2HE2 GLN 145 -5.594 27.315 8.381 1084 H MET 146 H MET 146 -5.364 22.252 6.946 1085 HA MET 146 HA MET 146 -4.924 23.818 4.656 1086 HB2 MET 146 2HB MET 146 -3.397 22.046 6.339 1087 HB3 MET 146 3HB MET 146 -3.009 21.753 4.649 1088 HG2 MET 146 2HG MET 146 -3.000 24.497 5.868 1089 HG3 MET 146 3HG MET 146 -1.585 23.445 5.856 1090 HE1 MET 146 1HE MET 146 -1.201 26.149 4.804 1091 HE2 MET 146 2HE MET 146 -1.421 26.457 3.081 1092 HE3 MET 146 3HE MET 146 -2.813 26.474 4.166 1093 H ARG 147 H ARG 147 -5.494 20.333 5.023 1094 HA ARG 147 HA ARG 147 -5.183 19.582 2.361 1095 HB2 ARG 147 2HB ARG 147 -6.502 18.459 4.746 1096 HB3 ARG 147 3HB ARG 147 -7.141 17.889 3.210 1097 HG2 ARG 147 2HG ARG 147 -4.240 17.789 4.006 1098 HG3 ARG 147 3HG ARG 147 -5.373 16.441 4.128 1099 HD2 ARG 147 2HD ARG 147 -5.671 17.317 1.524 1100 HD3 ARG 147 3HD ARG 147 -3.940 17.475 1.819 1101 HE ARG 147 HE ARG 147 -3.778 15.199 1.790 1102 HH11 ARG 147 1HH1 ARG 147 -7.103 16.078 2.333 1103 HH12 ARG 147 2HH1 ARG 147 -7.686 14.450 2.229 1104 HH21 ARG 147 1HH2 ARG 147 -4.534 13.052 1.650 1105 HH22 ARG 147 2HH2 ARG 147 -6.224 12.729 1.842 1106 H GLY 148 H GLY 148 -8.116 20.643 4.072 1107 HA2 GLY 148 2HA GLY 148 -9.891 20.369 1.911 1108 HA3 GLY 148 3HA GLY 148 -10.123 21.434 3.290 1109 H LYS 149 H LYS 149 -8.379 23.360 3.137 1110 HA LYS 149 HA LYS 149 -9.276 25.081 1.174 1111 HB2 LYS 149 2HB LYS 149 -6.594 25.154 2.568 1112 HB3 LYS 149 3HB LYS 149 -7.357 26.506 1.742 1113 HG2 LYS 149 2HG LYS 149 -9.140 25.390 3.701 1114 HG3 LYS 149 3HG LYS 149 -7.589 25.807 4.432 1115 HD2 LYS 149 2HD LYS 149 -8.695 27.810 4.617 1116 HD3 LYS 149 3HD LYS 149 -7.901 28.024 3.055 1117 HE2 LYS 149 2HE LYS 149 -10.009 28.638 2.463 1118 HE3 LYS 149 3HE LYS 149 -10.150 26.901 2.196 1119 HZ1 LYS 149 1HZ LYS 149 -11.522 26.652 3.948 1120 HZ2 LYS 149 2HZ LYS 149 -11.858 28.286 3.673 1121 HZ3 LYS 149 3HZ LYS 149 -10.760 27.840 4.879 Start of MODEL 5 1 H1 MET 1 H MET 1 0.592 -0.363 -1.727 2 HA MET 1 HA MET 1 1.443 -0.727 -3.944 3 HB2 MET 1 2HB MET 1 -1.120 0.656 -4.750 4 HB3 MET 1 3HB MET 1 0.167 0.222 -5.867 5 HG2 MET 1 2HG MET 1 -0.499 -1.896 -5.981 6 HG3 MET 1 3HG MET 1 -0.705 -2.016 -4.235 7 HE1 MET 1 1HE MET 1 -2.366 -0.564 -3.111 8 HE2 MET 1 2HE MET 1 -3.853 0.077 -3.808 9 HE3 MET 1 3HE MET 1 -3.803 -1.582 -3.208 10 H ALA 2 H ALA 2 -0.398 2.324 -3.804 11 HA ALA 2 HA ALA 2 2.160 3.768 -3.630 12 HB1 ALA 2 1HB ALA 2 1.333 3.828 -5.945 13 HB2 ALA 2 2HB ALA 2 -0.164 4.568 -5.376 14 HB3 ALA 2 3HB ALA 2 1.366 5.428 -5.204 15 H ALA 3 H ALA 3 2.184 5.573 -2.349 16 HA ALA 3 HA ALA 3 -0.262 6.064 -0.786 17 HB1 ALA 3 1HB ALA 3 2.450 6.943 0.112 18 HB2 ALA 3 2HB ALA 3 1.027 6.534 1.072 19 HB3 ALA 3 3HB ALA 3 1.961 5.257 0.292 20 H LEU 4 H LEU 4 -0.736 8.251 -0.149 21 HA LEU 4 HA LEU 4 -0.646 10.087 -2.258 22 HB2 LEU 4 2HB LEU 4 -1.481 11.725 -0.607 23 HB3 LEU 4 3HB LEU 4 -2.379 10.208 -0.612 24 HG LEU 4 HG LEU 4 -0.562 9.753 1.365 25 HD11 LEU 4 1HD1 LEU 4 -1.414 12.382 2.263 26 HD12 LEU 4 2HD1 LEU 4 -0.289 12.455 0.908 27 HD13 LEU 4 3HD1 LEU 4 0.161 11.598 2.382 28 HD21 LEU 4 1HD2 LEU 4 -2.433 10.221 2.905 29 HD22 LEU 4 2HD2 LEU 4 -2.927 9.276 1.499 30 HD23 LEU 4 3HD2 LEU 4 -3.300 10.999 1.581 31 H THR 5 H THR 5 1.289 9.878 0.703 32 HA THR 5 HA THR 5 2.724 12.227 0.529 33 HB THR 5 HB THR 5 4.570 10.234 1.341 34 HG1 THR 5 HG1 THR 5 2.063 9.826 2.603 35 HG21 THR 5 1HG2 THR 5 2.753 11.865 3.108 36 HG22 THR 5 2HG2 THR 5 4.146 12.545 2.266 37 HG23 THR 5 3HG2 THR 5 4.375 11.277 3.470 38 H ASP 6 H ASP 6 3.402 9.125 -1.049 39 HA ASP 6 HA ASP 6 5.848 9.786 -2.215 40 HB2 ASP 6 2HB ASP 6 4.001 7.637 -2.351 41 HB3 ASP 6 3HB ASP 6 4.357 8.122 -4.007 42 H GLU 7 H GLU 7 2.553 10.157 -3.490 43 HA GLU 7 HA GLU 7 3.293 11.214 -5.992 44 HB2 GLU 7 2HB GLU 7 0.923 10.503 -4.767 45 HB3 GLU 7 3HB GLU 7 0.772 12.247 -4.931 46 HG2 GLU 7 2HG GLU 7 1.580 11.747 -7.385 47 HG3 GLU 7 3HG GLU 7 0.927 10.149 -7.025 48 H GLN 8 H GLN 8 2.792 12.700 -2.854 49 HA GLN 8 HA GLN 8 2.716 15.386 -3.701 50 HB2 GLN 8 2HB GLN 8 2.180 14.313 -1.382 51 HB3 GLN 8 3HB GLN 8 3.889 14.579 -1.064 52 HG2 GLN 8 2HG GLN 8 3.452 16.667 -0.504 53 HG3 GLN 8 3HG GLN 8 2.859 16.977 -2.134 54 HE21 GLN 8 1HE2 GLN 8 2.076 17.230 1.003 55 HE22 GLN 8 2HE2 GLN 8 0.353 17.153 0.900 56 H ILE 9 H ILE 9 5.414 13.509 -2.317 57 HA ILE 9 HA ILE 9 7.373 15.483 -2.696 58 HB ILE 9 HB ILE 9 9.017 13.622 -2.502 59 HG12 ILE 9 2HG1 ILE 9 6.527 11.908 -2.366 60 HG13 ILE 9 3HG1 ILE 9 7.721 11.889 -3.659 61 HG21 ILE 9 1HG2 ILE 9 8.401 13.001 -0.204 62 HG22 ILE 9 2HG2 ILE 9 8.167 14.720 -0.516 63 HG23 ILE 9 3HG2 ILE 9 6.779 13.634 -0.482 64 HD11 ILE 9 1HD1 ILE 9 8.679 10.227 -2.547 65 HD12 ILE 9 2HD1 ILE 9 9.220 11.446 -1.392 66 HD13 ILE 9 3HD1 ILE 9 7.732 10.547 -1.095 67 H ARG 10 H ARG 10 6.120 12.992 -4.820 68 HA ARG 10 HA ARG 10 8.140 13.107 -6.787 69 HB2 ARG 10 2HB ARG 10 6.577 11.252 -6.700 70 HB3 ARG 10 3HB ARG 10 5.226 12.336 -7.009 71 HG2 ARG 10 2HG ARG 10 5.780 11.131 -9.016 72 HG3 ARG 10 3HG ARG 10 6.170 12.839 -9.226 73 HD2 ARG 10 2HD ARG 10 8.501 12.416 -8.889 74 HD3 ARG 10 3HD ARG 10 8.181 10.746 -8.420 75 HE ARG 10 HE ARG 10 8.425 11.766 -11.075 76 HH11 ARG 10 1HH1 ARG 10 6.861 9.338 -9.130 77 HH12 ARG 10 2HH1 ARG 10 6.654 8.231 -10.447 78 HH21 ARG 10 1HH2 ARG 10 8.159 10.317 -12.816 79 HH22 ARG 10 2HH2 ARG 10 7.393 8.788 -12.542 80 H GLU 11 H GLU 11 4.991 14.743 -6.545 81 HA GLU 11 HA GLU 11 5.249 16.196 -8.957 82 HB2 GLU 11 2HB GLU 11 3.539 16.562 -6.506 83 HB3 GLU 11 3HB GLU 11 3.474 17.688 -7.855 84 HG2 GLU 11 2HG GLU 11 3.141 15.442 -9.221 85 HG3 GLU 11 3HG GLU 11 2.521 14.892 -7.666 86 H ALA 12 H ALA 12 6.171 16.871 -5.632 87 HA ALA 12 HA ALA 12 6.769 19.602 -5.924 88 HB1 ALA 12 1HB ALA 12 6.529 18.519 -3.747 89 HB2 ALA 12 2HB ALA 12 8.006 17.600 -4.037 90 HB3 ALA 12 3HB ALA 12 8.077 19.355 -3.880 91 H PHE 13 H PHE 13 8.974 16.795 -5.948 92 HA PHE 13 HA PHE 13 11.267 18.249 -6.679 93 HB2 PHE 13 2HB PHE 13 11.522 16.065 -5.719 94 HB3 PHE 13 3HB PHE 13 10.568 15.328 -7.002 95 HD1 PHE 13 HD1 PHE 13 11.512 14.996 -9.221 96 HD2 PHE 13 HD2 PHE 13 13.826 16.644 -6.051 97 HE1 PHE 13 HE1 PHE 13 13.568 14.566 -10.503 98 HE2 PHE 13 HE2 PHE 13 15.885 16.218 -7.329 99 HZ PHE 13 HZ PHE 13 15.758 15.178 -9.558 100 H ASN 14 H ASN 14 8.684 16.835 -8.559 101 HA ASN 14 HA ASN 14 9.958 16.904 -11.082 102 HB2 ASN 14 2HB ASN 14 7.939 15.573 -10.667 103 HB3 ASN 14 3HB ASN 14 7.010 17.047 -10.411 104 HD21 ASN 14 1HD2 ASN 14 5.673 17.224 -12.061 105 HD22 ASN 14 2HD2 ASN 14 6.102 17.090 -13.730 106 H LEU 15 H LEU 15 7.845 19.210 -9.409 107 HA LEU 15 HA LEU 15 7.772 21.111 -11.504 108 HB2 LEU 15 2HB LEU 15 6.808 20.877 -8.800 109 HB3 LEU 15 3HB LEU 15 7.457 22.490 -9.090 110 HG LEU 15 HG LEU 15 5.085 22.493 -9.491 111 HD11 LEU 15 1HD1 LEU 15 6.849 23.608 -11.104 112 HD12 LEU 15 2HD1 LEU 15 5.121 23.668 -11.446 113 HD13 LEU 15 3HD1 LEU 15 6.142 22.488 -12.268 114 HD21 LEU 15 1HD2 LEU 15 5.465 19.900 -10.378 115 HD22 LEU 15 2HD2 LEU 15 5.037 20.791 -11.838 116 HD23 LEU 15 3HD2 LEU 15 3.962 20.820 -10.440 117 H PHE 16 H PHE 16 9.743 20.883 -8.556 118 HA PHE 16 HA PHE 16 11.191 23.248 -8.886 119 HB2 PHE 16 2HB PHE 16 11.885 20.644 -7.529 120 HB3 PHE 16 3HB PHE 16 12.951 22.045 -7.487 121 HD1 PHE 16 HD1 PHE 16 11.012 20.374 -5.418 122 HD2 PHE 16 HD2 PHE 16 11.150 24.272 -7.121 123 HE1 PHE 16 HE1 PHE 16 9.766 21.257 -3.489 124 HE2 PHE 16 HE2 PHE 16 9.906 25.162 -5.194 125 HZ PHE 16 HZ PHE 16 9.213 23.654 -3.374 126 H ASP 17 H ASP 17 11.816 19.983 -10.094 127 HA ASP 17 HA ASP 17 14.304 20.701 -11.329 128 HB2 ASP 17 2HB ASP 17 13.553 18.369 -10.516 129 HB3 ASP 17 3HB ASP 17 12.670 18.275 -12.037 130 H ALA 18 H ALA 18 10.965 20.714 -12.251 131 HA ALA 18 HA ALA 18 11.136 20.585 -15.022 132 HB1 ALA 18 1HB ALA 18 9.159 22.511 -14.321 133 HB2 ALA 18 2HB ALA 18 8.942 20.830 -14.810 134 HB3 ALA 18 3HB ALA 18 9.159 21.232 -13.106 135 H ASP 19 H ASP 19 12.042 23.128 -12.849 136 HA ASP 19 HA ASP 19 11.929 25.375 -14.451 137 HB2 ASP 19 2HB ASP 19 13.853 24.542 -12.292 138 HB3 ASP 19 3HB ASP 19 14.025 26.087 -13.120 139 H GLY 20 H GLY 20 14.145 22.684 -14.577 140 HA2 GLY 20 2HA GLY 20 15.448 22.067 -16.416 141 HA3 GLY 20 3HA GLY 20 15.154 23.647 -17.126 142 H SER 21 H SER 21 16.266 23.359 -13.844 143 HA SER 21 HA SER 21 18.869 24.442 -14.695 144 HB2 SER 21 2HB SER 21 17.002 25.188 -12.575 145 HB3 SER 21 3HB SER 21 18.649 24.967 -11.984 146 HG SER 21 HG SER 21 19.310 26.403 -13.694 147 H GLY 22 H GLY 22 20.761 23.785 -13.534 148 HA2 GLY 22 2HA GLY 22 20.887 20.997 -13.076 149 HA3 GLY 22 3HA GLY 22 22.163 22.154 -12.729 150 H ALA 23 H ALA 23 20.130 23.631 -10.990 151 HA ALA 23 HA ALA 23 19.690 21.801 -8.797 152 HB1 ALA 23 1HB ALA 23 21.566 22.202 -7.685 153 HB2 ALA 23 2HB ALA 23 22.089 23.356 -8.912 154 HB3 ALA 23 3HB ALA 23 21.096 23.897 -7.558 155 H ILE 24 H ILE 24 18.715 22.970 -6.891 156 HA ILE 24 HA ILE 24 17.100 25.245 -7.843 157 HB ILE 24 HB ILE 24 16.257 23.226 -5.766 158 HG12 ILE 24 2HG1 ILE 24 14.653 22.985 -8.064 159 HG13 ILE 24 3HG1 ILE 24 16.314 23.015 -8.645 160 HG21 ILE 24 1HG2 ILE 24 15.039 25.175 -5.394 161 HG22 ILE 24 2HG2 ILE 24 14.921 25.543 -7.113 162 HG23 ILE 24 3HG2 ILE 24 13.978 24.220 -6.429 163 HD11 ILE 24 1HD1 ILE 24 16.392 20.852 -8.185 164 HD12 ILE 24 2HD1 ILE 24 16.374 21.292 -6.477 165 HD13 ILE 24 3HD1 ILE 24 14.865 20.915 -7.306 166 H ASP 25 H ASP 25 17.305 27.085 -6.758 167 HA ASP 25 HA ASP 25 18.786 27.077 -4.238 168 HB2 ASP 25 2HB ASP 25 18.368 29.009 -6.428 169 HB3 ASP 25 3HB ASP 25 18.397 29.710 -4.812 170 H ALA 26 H ALA 26 18.020 29.062 -2.783 171 HA ALA 26 HA ALA 26 15.499 28.294 -1.728 172 HB1 ALA 26 1HB ALA 26 17.342 30.587 -1.091 173 HB2 ALA 26 2HB ALA 26 15.846 30.270 -0.210 174 HB3 ALA 26 3HB ALA 26 17.143 29.074 -0.205 175 H GLU 27 H GLU 27 16.610 31.136 -3.537 176 HA GLU 27 HA GLU 27 14.257 32.627 -3.447 177 HB2 GLU 27 2HB GLU 27 15.090 33.728 -5.503 178 HB3 GLU 27 3HB GLU 27 16.323 33.590 -4.257 179 HG2 GLU 27 2HG GLU 27 16.957 31.405 -5.529 180 HG3 GLU 27 3HG GLU 27 16.098 32.169 -6.864 181 H GLU 28 H GLU 28 15.262 30.081 -5.685 182 HA GLU 28 HA GLU 28 13.109 30.309 -7.481 183 HB2 GLU 28 2HB GLU 28 15.343 28.574 -7.095 184 HB3 GLU 28 3HB GLU 28 13.908 27.585 -7.322 185 HG2 GLU 28 2HG GLU 28 14.594 27.837 -9.481 186 HG3 GLU 28 3HG GLU 28 13.480 29.196 -9.335 187 H MET 29 H MET 29 13.569 28.213 -4.647 188 HA MET 29 HA MET 29 11.163 26.812 -4.807 189 HB2 MET 29 2HB MET 29 13.298 26.744 -3.138 190 HB3 MET 29 3HB MET 29 12.101 27.492 -2.090 191 HG2 MET 29 2HG MET 29 10.568 25.585 -2.657 192 HG3 MET 29 3HG MET 29 11.946 24.816 -3.442 193 HE1 MET 29 1HE MET 29 10.366 24.361 0.391 194 HE2 MET 29 2HE MET 29 9.929 24.099 -1.297 195 HE3 MET 29 3HE MET 29 10.926 22.915 -0.449 196 H ALA 30 H ALA 30 11.914 29.875 -3.188 197 HA ALA 30 HA ALA 30 9.393 30.262 -1.998 198 HB1 ALA 30 1HB ALA 30 10.311 32.801 -2.417 199 HB2 ALA 30 2HB ALA 30 10.743 31.774 -1.049 200 HB3 ALA 30 3HB ALA 30 11.799 31.855 -2.460 201 H LEU 31 H LEU 31 10.717 31.364 -5.102 202 HA LEU 31 HA LEU 31 8.543 32.908 -5.930 203 HB2 LEU 31 2HB LEU 31 10.981 32.099 -6.997 204 HB3 LEU 31 3HB LEU 31 9.776 31.475 -8.121 205 HG LEU 31 HG LEU 31 10.634 33.664 -8.807 206 HD11 LEU 31 1HD1 LEU 31 8.067 32.824 -8.852 207 HD12 LEU 31 2HD1 LEU 31 8.640 34.304 -9.620 208 HD13 LEU 31 3HD1 LEU 31 7.890 34.371 -8.025 209 HD21 LEU 31 1HD2 LEU 31 10.531 34.262 -6.103 210 HD22 LEU 31 2HD2 LEU 31 9.234 35.228 -6.808 211 HD23 LEU 31 3HD2 LEU 31 10.883 35.386 -7.416 212 H ALA 32 H ALA 32 9.223 29.463 -6.450 213 HA ALA 32 HA ALA 32 6.954 28.911 -8.023 214 HB1 ALA 32 1HB ALA 32 8.821 27.386 -7.964 215 HB2 ALA 32 2HB ALA 32 8.570 27.090 -6.244 216 HB3 ALA 32 3HB ALA 32 7.368 26.550 -7.416 217 H MET 33 H MET 33 7.516 28.528 -4.528 218 HA MET 33 HA MET 33 5.057 27.454 -3.827 219 HB2 MET 33 2HB MET 33 7.040 29.160 -2.358 220 HB3 MET 33 3HB MET 33 5.516 28.723 -1.597 221 HG2 MET 33 2HG MET 33 6.068 26.337 -1.991 222 HG3 MET 33 3HG MET 33 7.644 26.847 -2.592 223 HE1 MET 33 1HE MET 33 9.447 27.371 -1.532 224 HE2 MET 33 2HE MET 33 9.266 28.668 -0.351 225 HE3 MET 33 3HE MET 33 9.816 27.074 0.167 226 H LYS 34 H LYS 34 6.004 30.847 -4.183 227 HA LYS 34 HA LYS 34 3.557 31.956 -3.310 228 HB2 LYS 34 2HB LYS 34 5.737 33.182 -3.514 229 HB3 LYS 34 3HB LYS 34 5.519 33.176 -5.259 230 HG2 LYS 34 2HG LYS 34 3.137 34.196 -4.214 231 HG3 LYS 34 3HG LYS 34 4.432 34.958 -3.288 232 HD2 LYS 34 2HD LYS 34 4.780 34.801 -6.228 233 HD3 LYS 34 3HD LYS 34 3.564 35.926 -5.620 234 HE2 LYS 34 2HE LYS 34 5.883 36.217 -4.020 235 HE3 LYS 34 3HE LYS 34 6.397 36.225 -5.707 236 HZ1 LYS 34 1HZ LYS 34 5.214 38.296 -4.272 237 HZ2 LYS 34 2HZ LYS 34 4.089 37.808 -5.437 238 HZ3 LYS 34 3HZ LYS 34 5.643 38.281 -5.909 239 H GLY 35 H GLY 35 4.821 31.321 -6.581 240 HA2 GLY 35 2HA GLY 35 2.660 32.264 -8.049 241 HA3 GLY 35 3HA GLY 35 3.733 30.974 -8.572 242 H LEU 36 H LEU 36 3.092 29.128 -6.490 243 HA LEU 36 HA LEU 36 0.677 28.039 -7.609 244 HB2 LEU 36 2HB LEU 36 2.505 27.085 -5.414 245 HB3 LEU 36 3HB LEU 36 1.102 26.185 -5.985 246 HG LEU 36 HG LEU 36 3.022 26.943 -8.079 247 HD11 LEU 36 1HD1 LEU 36 4.316 26.285 -5.887 248 HD12 LEU 36 2HD1 LEU 36 4.807 25.658 -7.459 249 HD13 LEU 36 3HD1 LEU 36 3.851 24.654 -6.370 250 HD21 LEU 36 1HD2 LEU 36 1.548 24.436 -7.290 251 HD22 LEU 36 2HD2 LEU 36 2.635 24.544 -8.674 252 HD23 LEU 36 3HD2 LEU 36 1.174 25.532 -8.620 253 H GLY 37 H GLY 37 1.557 29.834 -4.779 254 HA2 GLY 37 2HA GLY 37 0.254 30.790 -3.144 255 HA3 GLY 37 3HA GLY 37 -1.150 30.343 -4.100 256 H PHE 38 H PHE 38 1.036 27.837 -3.201 257 HA PHE 38 HA PHE 38 -0.701 27.057 -0.962 258 HB2 PHE 38 2HB PHE 38 -0.286 25.649 -3.494 259 HB3 PHE 38 3HB PHE 38 0.029 24.643 -2.084 260 HD1 PHE 38 HD1 PHE 38 -1.750 24.134 -0.497 261 HD2 PHE 38 HD2 PHE 38 -2.495 26.418 -4.010 262 HE1 PHE 38 HE1 PHE 38 -4.167 23.767 -0.219 263 HE2 PHE 38 HE2 PHE 38 -4.913 26.055 -3.737 264 HZ PHE 38 HZ PHE 38 -5.752 24.729 -1.839 265 H GLY 39 H GLY 39 0.304 26.051 0.741 266 HA2 GLY 39 2HA GLY 39 2.034 25.485 2.138 267 HA3 GLY 39 3HA GLY 39 2.807 24.813 0.710 268 H ASP 40 H ASP 40 1.972 28.176 1.483 269 HA ASP 40 HA ASP 40 4.602 29.042 0.686 270 HB2 ASP 40 2HB ASP 40 2.298 30.256 0.388 271 HB3 ASP 40 3HB ASP 40 2.611 30.842 2.019 272 H LEU 41 H LEU 41 6.258 28.773 2.030 273 HA LEU 41 HA LEU 41 5.821 29.141 4.914 274 HB2 LEU 41 2HB LEU 41 7.776 27.556 3.309 275 HB3 LEU 41 3HB LEU 41 8.211 28.077 4.935 276 HG LEU 41 HG LEU 41 7.367 25.777 4.892 277 HD11 LEU 41 1HD1 LEU 41 7.060 27.136 6.895 278 HD12 LEU 41 2HD1 LEU 41 5.721 26.009 6.677 279 HD13 LEU 41 3HD1 LEU 41 5.513 27.713 6.273 280 HD21 LEU 41 1HD2 LEU 41 5.141 25.235 4.278 281 HD22 LEU 41 2HD2 LEU 41 5.819 26.172 2.947 282 HD23 LEU 41 3HD2 LEU 41 4.707 26.934 4.085 283 HA PRO 42 HA PRO 42 8.262 32.784 5.088 284 HB2 PRO 42 2HB PRO 42 9.615 32.457 7.418 285 HB3 PRO 42 3HB PRO 42 7.884 32.809 7.354 286 HG2 PRO 42 2HG PRO 42 9.270 30.185 7.747 287 HG3 PRO 42 3HG PRO 42 7.851 30.838 8.587 288 HD2 PRO 42 2HD PRO 42 7.653 29.019 6.590 289 HD3 PRO 42 3HD PRO 42 6.417 30.261 6.877 290 H ARG 43 H ARG 43 10.497 33.629 5.237 291 HA ARG 43 HA ARG 43 12.247 32.223 3.551 292 HB2 ARG 43 2HB ARG 43 13.889 33.977 4.115 293 HB3 ARG 43 3HB ARG 43 12.312 34.645 3.716 294 HG2 ARG 43 2HG ARG 43 12.608 35.860 5.568 295 HG3 ARG 43 3HG ARG 43 12.106 34.391 6.408 296 HD2 ARG 43 2HD ARG 43 14.785 33.966 6.008 297 HD3 ARG 43 3HD ARG 43 14.715 35.702 6.305 298 HE ARG 43 HE ARG 43 14.306 33.616 8.211 299 HH11 ARG 43 1HH1 ARG 43 13.417 36.876 7.374 300 HH12 ARG 43 2HH1 ARG 43 13.042 37.331 9.004 301 HH21 ARG 43 1HH2 ARG 43 13.815 34.202 10.360 302 HH22 ARG 43 2HH2 ARG 43 13.269 35.809 10.701 303 H ASP 44 H ASP 44 12.129 32.551 7.060 304 HA ASP 44 HA ASP 44 14.588 31.407 7.702 305 HB2 ASP 44 2HB ASP 44 13.714 31.066 9.902 306 HB3 ASP 44 3HB ASP 44 13.001 32.554 9.287 307 H GLU 45 H GLU 45 11.494 29.907 6.938 308 HA GLU 45 HA GLU 45 12.230 27.264 7.645 309 HB2 GLU 45 2HB GLU 45 9.892 28.448 6.973 310 HB3 GLU 45 3HB GLU 45 10.264 27.625 5.465 311 HG2 GLU 45 2HG GLU 45 10.523 26.039 7.942 312 HG3 GLU 45 3HG GLU 45 8.892 26.492 7.448 313 H VAL 46 H VAL 46 12.555 29.163 4.713 314 HA VAL 46 HA VAL 46 13.285 27.014 3.004 315 HB VAL 46 HB VAL 46 13.962 29.943 2.707 316 HG11 VAL 46 1HG1 VAL 46 13.888 27.680 0.716 317 HG12 VAL 46 2HG1 VAL 46 14.064 29.384 0.293 318 HG13 VAL 46 3HG1 VAL 46 15.308 28.579 1.250 319 HG21 VAL 46 1HG2 VAL 46 11.560 28.372 1.782 320 HG22 VAL 46 2HG2 VAL 46 11.580 29.701 2.942 321 HG23 VAL 46 3HG2 VAL 46 11.953 30.006 1.246 322 H GLU 47 H GLU 47 15.189 29.466 4.744 323 HA GLU 47 HA GLU 47 17.713 28.545 3.894 324 HB2 GLU 47 2HB GLU 47 18.591 29.844 5.824 325 HB3 GLU 47 3HB GLU 47 17.481 30.760 4.814 326 HG2 GLU 47 2HG GLU 47 15.680 30.300 6.439 327 HG3 GLU 47 3HG GLU 47 16.858 29.489 7.469 328 H ARG 48 H ARG 48 15.709 27.745 6.687 329 HA ARG 48 HA ARG 48 17.622 26.147 8.021 330 HB2 ARG 48 2HB ARG 48 15.345 27.139 8.846 331 HB3 ARG 48 3HB ARG 48 14.679 25.630 8.238 332 HG2 ARG 48 2HG ARG 48 16.502 24.509 9.679 333 HG3 ARG 48 3HG ARG 48 16.592 26.073 10.491 334 HD2 ARG 48 2HD ARG 48 13.914 25.676 10.440 335 HD3 ARG 48 3HD ARG 48 14.491 24.015 10.563 336 HE ARG 48 HE ARG 48 15.859 25.548 12.453 337 HH11 ARG 48 1HH1 ARG 48 12.624 24.442 11.796 338 HH12 ARG 48 2HH1 ARG 48 12.153 24.419 13.463 339 HH21 ARG 48 1HH2 ARG 48 15.251 25.521 14.652 340 HH22 ARG 48 2HH2 ARG 48 13.648 25.034 15.086 341 H THR 49 H THR 49 14.995 25.347 5.773 342 HA THR 49 HA THR 49 15.308 22.561 5.826 343 HB THR 49 HB THR 49 14.231 22.637 3.528 344 HG1 THR 49 HG1 THR 49 13.929 25.407 4.079 345 HG21 THR 49 1HG2 THR 49 12.193 24.051 4.669 346 HG22 THR 49 2HG2 THR 49 13.141 23.586 6.081 347 HG23 THR 49 3HG2 THR 49 12.536 22.349 4.980 348 H VAL 50 H VAL 50 16.720 25.005 3.669 349 HA VAL 50 HA VAL 50 18.130 23.208 2.020 350 HB VAL 50 HB VAL 50 18.788 26.087 2.662 351 HG11 VAL 50 1HG1 VAL 50 19.816 25.879 0.289 352 HG12 VAL 50 2HG1 VAL 50 20.725 25.283 1.679 353 HG13 VAL 50 3HG1 VAL 50 19.852 24.152 0.644 354 HG21 VAL 50 1HG2 VAL 50 17.633 25.576 0.065 355 HG22 VAL 50 2HG2 VAL 50 16.564 25.031 1.358 356 HG23 VAL 50 3HG2 VAL 50 17.121 26.704 1.321 357 H ARG 51 H ARG 51 19.029 24.903 4.990 358 HA ARG 51 HA ARG 51 21.747 24.195 5.016 359 HB2 ARG 51 2HB ARG 51 20.532 25.912 6.471 360 HB3 ARG 51 3HB ARG 51 20.060 24.555 7.485 361 HG2 ARG 51 2HG ARG 51 22.933 24.774 6.851 362 HG3 ARG 51 3HG ARG 51 22.258 26.019 7.905 363 HD2 ARG 51 2HD ARG 51 21.289 23.441 8.700 364 HD3 ARG 51 3HD ARG 51 23.049 23.407 8.592 365 HE ARG 51 HE ARG 51 22.212 25.718 9.979 366 HH11 ARG 51 1HH1 ARG 51 22.475 22.266 10.350 367 HH12 ARG 51 2HH1 ARG 51 22.653 22.334 12.072 368 HH21 ARG 51 1HH2 ARG 51 22.445 25.820 12.246 369 HH22 ARG 51 2HH2 ARG 51 22.635 24.355 13.150 370 H SER 52 H SER 52 18.899 22.595 6.391 371 HA SER 52 HA SER 52 20.303 20.501 7.665 372 HB2 SER 52 2HB SER 52 17.451 20.544 6.648 373 HB3 SER 52 3HB SER 52 18.116 19.377 7.790 374 HG SER 52 HG SER 52 16.934 21.396 8.566 375 H MET 53 H MET 53 18.581 20.614 4.550 376 HA MET 53 HA MET 53 19.178 17.994 3.750 377 HB2 MET 53 2HB MET 53 18.726 20.416 1.997 378 HB3 MET 53 3HB MET 53 18.599 18.736 1.491 379 HG2 MET 53 2HG MET 53 16.614 18.408 2.591 380 HG3 MET 53 3HG MET 53 16.920 19.698 3.751 381 HE1 MET 53 1HE MET 53 16.722 19.068 -0.011 382 HE2 MET 53 2HE MET 53 15.014 18.846 0.369 383 HE3 MET 53 3HE MET 53 15.532 20.232 -0.593 384 H ASN 54 H ASN 54 20.629 20.959 2.394 385 HA ASN 54 HA ASN 54 22.964 19.438 1.579 386 HB2 ASN 54 2HB ASN 54 21.672 21.407 0.319 387 HB3 ASN 54 3HB ASN 54 22.831 22.390 1.208 388 HD21 ASN 54 1HD2 ASN 54 23.873 23.023 -0.673 389 HD22 ASN 54 2HD2 ASN 54 24.892 21.951 -1.567 390 H THR 55 H THR 55 24.292 19.004 3.249 391 HA THR 55 HA THR 55 24.703 20.469 5.550 392 HB THR 55 HB THR 55 25.553 18.180 5.240 393 HG1 THR 55 HG1 THR 55 26.823 18.732 6.830 394 HG21 THR 55 1HG2 THR 55 27.590 17.751 4.004 395 HG22 THR 55 2HG2 THR 55 27.723 19.455 3.571 396 HG23 THR 55 3HG2 THR 55 26.398 18.483 2.931 397 H ASN 56 H ASN 56 26.134 20.895 2.377 398 HA ASN 56 HA ASN 56 27.648 23.202 3.409 399 HB2 ASN 56 2HB ASN 56 28.161 21.549 0.926 400 HB3 ASN 56 3HB ASN 56 29.110 22.942 1.438 401 HD21 ASN 56 1HD2 ASN 56 29.378 19.825 1.202 402 HD22 ASN 56 2HD2 ASN 56 30.266 19.430 2.630 403 H ALA 57 H ALA 57 26.271 24.883 3.168 404 HA ALA 57 HA ALA 57 24.404 25.211 1.099 405 HB1 ALA 57 1HB ALA 57 25.193 27.771 2.014 406 HB2 ALA 57 2HB ALA 57 23.763 26.839 2.461 407 HB3 ALA 57 3HB ALA 57 25.253 26.668 3.389 408 H ASN 58 H ASN 58 25.121 25.062 -0.964 409 HA ASN 58 HA ASN 58 27.161 27.014 -1.806 410 HB2 ASN 58 2HB ASN 58 27.051 24.134 -2.207 411 HB3 ASN 58 3HB ASN 58 27.173 25.004 -3.733 412 HD21 ASN 58 1HD2 ASN 58 28.748 27.063 -3.280 413 HD22 ASN 58 2HD2 ASN 58 30.304 26.570 -2.714 414 H GLY 59 H GLY 59 24.041 26.715 -1.781 415 HA2 GLY 59 2HA GLY 59 22.406 27.734 -3.054 416 HA3 GLY 59 3HA GLY 59 23.651 28.197 -4.205 417 H LEU 60 H LEU 60 23.464 24.869 -3.368 418 HA LEU 60 HA LEU 60 21.793 24.250 -5.687 419 HB2 LEU 60 2HB LEU 60 24.632 23.352 -5.282 420 HB3 LEU 60 3HB LEU 60 23.507 22.480 -6.322 421 HG LEU 60 HG LEU 60 23.263 24.911 -7.399 422 HD11 LEU 60 1HD1 LEU 60 25.693 25.013 -5.768 423 HD12 LEU 60 2HD1 LEU 60 24.725 26.319 -6.453 424 HD13 LEU 60 3HD1 LEU 60 25.919 25.489 -7.452 425 HD21 LEU 60 1HD2 LEU 60 23.989 22.680 -8.399 426 HD22 LEU 60 2HD2 LEU 60 25.641 23.209 -8.082 427 HD23 LEU 60 3HD2 LEU 60 24.607 24.146 -9.162 428 H ILE 61 H ILE 61 20.763 22.256 -5.592 429 HA ILE 61 HA ILE 61 21.012 20.850 -3.014 430 HB ILE 61 HB ILE 61 18.561 21.096 -4.762 431 HG12 ILE 61 2HG1 ILE 61 19.079 22.265 -2.022 432 HG13 ILE 61 3HG1 ILE 61 19.236 23.171 -3.523 433 HG21 ILE 61 1HG2 ILE 61 19.103 19.618 -2.208 434 HG22 ILE 61 2HG2 ILE 61 17.472 20.098 -2.676 435 HG23 ILE 61 3HG2 ILE 61 18.402 19.012 -3.708 436 HD11 ILE 61 1HD1 ILE 61 17.129 23.759 -2.867 437 HD12 ILE 61 2HD1 ILE 61 16.775 22.373 -3.900 438 HD13 ILE 61 3HD1 ILE 61 16.794 22.184 -2.147 439 H GLU 62 H GLU 62 21.501 18.747 -3.045 440 HA GLU 62 HA GLU 62 21.787 17.439 -5.640 441 HB2 GLU 62 2HB GLU 62 22.754 16.634 -2.891 442 HB3 GLU 62 3HB GLU 62 23.062 15.728 -4.366 443 HG2 GLU 62 2HG GLU 62 23.852 18.441 -4.755 444 HG3 GLU 62 3HG GLU 62 24.570 17.831 -3.265 445 H TYR 63 H TYR 63 20.781 15.537 -6.195 446 HA TYR 63 HA TYR 63 18.203 15.070 -5.253 447 HB2 TYR 63 2HB TYR 63 18.286 12.983 -6.557 448 HB3 TYR 63 3HB TYR 63 18.948 14.340 -7.462 449 HD1 TYR 63 HD1 TYR 63 19.684 11.144 -5.865 450 HD2 TYR 63 HD2 TYR 63 21.354 14.485 -7.901 451 HE1 TYR 63 HE1 TYR 63 21.749 9.866 -6.255 452 HE2 TYR 63 HE2 TYR 63 23.424 13.216 -8.298 453 HH TYR 63 HH TYR 63 23.804 10.288 -8.357 454 H GLY 64 H GLY 64 21.265 13.553 -4.370 455 HA2 GLY 64 2HA GLY 64 20.249 11.442 -2.827 456 HA3 GLY 64 3HA GLY 64 21.835 12.174 -2.627 457 H GLU 65 H GLU 65 21.359 14.658 -1.760 458 HA GLU 65 HA GLU 65 20.648 14.264 0.948 459 HB2 GLU 65 2HB GLU 65 21.078 16.804 -0.630 460 HB3 GLU 65 3HB GLU 65 20.874 16.749 1.115 461 HG2 GLU 65 2HG GLU 65 23.123 15.607 -0.513 462 HG3 GLU 65 3HG GLU 65 23.194 16.903 0.679 463 H PHE 66 H PHE 66 18.889 15.380 -1.847 464 HA PHE 66 HA PHE 66 16.734 16.625 -0.532 465 HB2 PHE 66 2HB PHE 66 17.049 17.005 -2.880 466 HB3 PHE 66 3HB PHE 66 16.922 15.285 -3.232 467 HD1 PHE 66 HD1 PHE 66 15.099 18.348 -2.496 468 HD2 PHE 66 HD2 PHE 66 14.761 14.165 -3.206 469 HE1 PHE 66 HE1 PHE 66 12.681 18.611 -2.874 470 HE2 PHE 66 HE2 PHE 66 12.344 14.421 -3.585 471 HZ PHE 66 HZ PHE 66 11.301 16.646 -3.420 472 H GLU 67 H GLU 67 16.915 13.363 -1.968 473 HA GLU 67 HA GLU 67 14.449 12.491 -0.911 474 HB2 GLU 67 2HB GLU 67 15.188 10.240 -1.540 475 HB3 GLU 67 3HB GLU 67 15.500 11.398 -2.825 476 HG2 GLU 67 2HG GLU 67 17.860 11.554 -1.914 477 HG3 GLU 67 3HG GLU 67 17.467 10.134 -0.947 478 H ARG 68 H ARG 68 17.749 12.343 0.295 479 HA ARG 68 HA ARG 68 17.345 10.559 2.418 480 HB2 ARG 68 2HB ARG 68 19.565 11.314 1.586 481 HB3 ARG 68 3HB ARG 68 19.273 12.884 2.322 482 HG2 ARG 68 2HG ARG 68 19.110 11.769 4.527 483 HG3 ARG 68 3HG ARG 68 19.544 10.247 3.746 484 HD2 ARG 68 2HD ARG 68 21.336 12.513 3.186 485 HD3 ARG 68 3HD ARG 68 21.322 11.959 4.860 486 HE ARG 68 HE ARG 68 21.563 9.731 3.177 487 HH11 ARG 68 1HH1 ARG 68 23.384 12.522 4.186 488 HH12 ARG 68 2HH1 ARG 68 24.924 11.760 3.962 489 HH21 ARG 68 1HH2 ARG 68 23.585 8.717 2.879 490 HH22 ARG 68 2HH2 ARG 68 25.037 9.596 3.218 491 H MET 69 H MET 69 17.033 14.085 2.257 492 HA MET 69 HA MET 69 16.390 14.401 5.014 493 HB2 MET 69 2HB MET 69 17.315 16.226 3.636 494 HB3 MET 69 3HB MET 69 15.833 16.253 2.689 495 HG2 MET 69 2HG MET 69 15.290 17.907 4.103 496 HG3 MET 69 3HG MET 69 14.802 16.568 5.140 497 HE1 MET 69 1HE MET 69 16.335 15.689 7.256 498 HE2 MET 69 2HE MET 69 16.682 17.116 8.233 499 HE3 MET 69 3HE MET 69 15.113 16.948 7.443 500 H VAL 70 H VAL 70 14.419 14.453 2.048 501 HA VAL 70 HA VAL 70 11.932 14.877 3.166 502 HB VAL 70 HB VAL 70 12.576 13.089 0.817 503 HG11 VAL 70 1HG1 VAL 70 10.072 13.838 2.093 504 HG12 VAL 70 2HG1 VAL 70 10.116 14.246 0.376 505 HG13 VAL 70 3HG1 VAL 70 10.403 12.585 0.897 506 HG21 VAL 70 1HG2 VAL 70 12.912 14.914 -0.422 507 HG22 VAL 70 2HG2 VAL 70 11.499 15.727 0.252 508 HG23 VAL 70 3HG2 VAL 70 13.044 15.798 1.099 509 H LYS 71 H LYS 71 13.738 11.860 2.869 510 HA LYS 71 HA LYS 71 11.675 10.138 3.743 511 HB2 LYS 71 2HB LYS 71 13.582 9.238 2.576 512 HB3 LYS 71 3HB LYS 71 14.681 9.844 3.808 513 HG2 LYS 71 2HG LYS 71 12.711 8.161 5.023 514 HG3 LYS 71 3HG LYS 71 13.466 7.321 3.667 515 HD2 LYS 71 2HD LYS 71 14.964 8.694 5.898 516 HD3 LYS 71 3HD LYS 71 14.646 6.960 5.815 517 HE2 LYS 71 2HE LYS 71 15.783 7.115 3.493 518 HE3 LYS 71 3HE LYS 71 16.422 8.646 4.090 519 HZ1 LYS 71 1HZ LYS 71 17.811 6.550 4.430 520 HZ2 LYS 71 2HZ LYS 71 16.713 6.160 5.656 521 HZ3 LYS 71 3HZ LYS 71 17.619 7.586 5.754 522 H SER 72 H SER 72 14.015 12.107 5.430 523 HA SER 72 HA SER 72 13.644 10.878 7.985 524 HB2 SER 72 2HB SER 72 14.756 13.616 7.326 525 HB3 SER 72 3HB SER 72 14.937 12.760 8.857 526 HG SER 72 HG SER 72 16.233 11.272 7.871 527 H ARG 73 H ARG 73 12.646 14.043 6.675 528 HA ARG 73 HA ARG 73 11.038 14.794 8.833 529 HB2 ARG 73 2HB ARG 73 9.953 16.350 7.213 530 HB3 ARG 73 3HB ARG 73 11.709 16.426 7.200 531 HG2 ARG 73 2HG ARG 73 11.648 14.873 5.218 532 HG3 ARG 73 3HG ARG 73 9.903 15.136 5.176 533 HD2 ARG 73 2HD ARG 73 11.177 17.666 5.382 534 HD3 ARG 73 3HD ARG 73 11.971 16.757 4.097 535 HE ARG 73 HE ARG 73 9.223 16.490 3.742 536 HH11 ARG 73 1HH1 ARG 73 11.639 18.996 3.670 537 HH12 ARG 73 2HH1 ARG 73 10.788 19.963 2.511 538 HH21 ARG 73 1HH2 ARG 73 8.094 17.755 2.216 539 HH22 ARG 73 2HH2 ARG 73 8.772 19.257 1.685 540 H MET 74 H MET 74 10.227 13.044 5.861 541 HA MET 74 HA MET 74 7.446 12.874 6.374 542 HB2 MET 74 2HB MET 74 9.288 11.258 4.614 543 HB3 MET 74 3HB MET 74 7.553 10.985 4.682 544 HG2 MET 74 2HG MET 74 8.819 13.613 3.953 545 HG3 MET 74 3HG MET 74 8.305 12.398 2.785 546 HE1 MET 74 1HE MET 74 6.241 15.841 3.507 547 HE2 MET 74 2HE MET 74 7.750 15.228 2.829 548 HE3 MET 74 3HE MET 74 6.232 14.987 1.964 549 H ALA 75 H ALA 75 10.194 10.866 7.234 550 HA ALA 75 HA ALA 75 8.902 8.542 8.034 551 HB1 ALA 75 1HB ALA 75 11.482 9.820 8.585 552 HB2 ALA 75 2HB ALA 75 10.925 8.717 9.844 553 HB3 ALA 75 3HB ALA 75 11.104 8.144 8.186 554 H GLN 76 H GLN 76 9.304 11.598 9.733 555 HA GLN 76 HA GLN 76 8.287 10.644 12.227 556 HB2 GLN 76 2HB GLN 76 9.752 12.560 12.211 557 HB3 GLN 76 3HB GLN 76 8.665 13.437 11.142 558 HG2 GLN 76 2HG GLN 76 8.622 14.095 13.573 559 HG3 GLN 76 3HG GLN 76 7.064 13.732 12.832 560 HE21 GLN 76 1HE2 GLN 76 9.617 11.653 14.143 561 HE22 GLN 76 2HE2 GLN 76 8.608 10.841 15.286 562 H LYS 77 H LYS 77 6.916 12.358 9.462 563 HA LYS 77 HA LYS 77 4.326 12.633 10.683 564 HB2 LYS 77 2HB LYS 77 5.656 13.757 8.470 565 HB3 LYS 77 3HB LYS 77 4.272 12.894 7.813 566 HG2 LYS 77 2HG LYS 77 3.276 14.884 8.211 567 HG3 LYS 77 3HG LYS 77 3.037 14.152 9.799 568 HD2 LYS 77 2HD LYS 77 5.557 15.655 9.323 569 HD3 LYS 77 3HD LYS 77 4.066 16.581 9.512 570 HE2 LYS 77 2HE LYS 77 4.299 14.491 11.504 571 HE3 LYS 77 3HE LYS 77 5.681 15.585 11.541 572 HZ1 LYS 77 1HZ LYS 77 3.590 17.276 11.324 573 HZ2 LYS 77 2HZ LYS 77 4.357 16.867 12.775 574 HZ3 LYS 77 3HZ LYS 77 2.947 16.058 12.306 575 H ASP 78 H ASP 78 2.383 11.636 9.921 576 HA ASP 78 HA ASP 78 2.736 9.153 8.402 577 HB2 ASP 78 2HB ASP 78 2.106 9.352 11.227 578 HB3 ASP 78 3HB ASP 78 0.827 8.524 10.344 579 H SER 79 H SER 79 0.520 8.172 7.888 580 HA SER 79 HA SER 79 -0.957 9.997 6.382 581 HB2 SER 79 2HB SER 79 -1.003 7.183 6.889 582 HB3 SER 79 3HB SER 79 -2.650 7.801 7.015 583 HG SER 79 HG SER 79 -1.341 7.269 4.822 584 HA PRO 80 HA PRO 80 -3.869 11.856 9.084 585 HB2 PRO 80 2HB PRO 80 -6.131 11.881 7.583 586 HB3 PRO 80 3HB PRO 80 -4.746 12.927 7.250 587 HG2 PRO 80 2HG PRO 80 -5.524 10.345 5.951 588 HG3 PRO 80 3HG PRO 80 -4.934 11.840 5.203 589 HD2 PRO 80 2HD PRO 80 -3.334 9.700 5.640 590 HD3 PRO 80 3HD PRO 80 -2.733 11.369 5.701 591 H GLU 81 H GLU 81 -5.065 8.909 7.504 592 HA GLU 81 HA GLU 81 -7.073 8.430 9.494 593 HB2 GLU 81 2HB GLU 81 -5.951 6.707 7.284 594 HB3 GLU 81 3HB GLU 81 -7.248 6.189 8.350 595 HG2 GLU 81 2HG GLU 81 -7.756 8.782 7.143 596 HG3 GLU 81 3HG GLU 81 -7.537 7.500 5.954 597 H GLU 82 H GLU 82 -3.826 7.214 8.832 598 HA GLU 82 HA GLU 82 -3.745 5.127 10.674 599 HB2 GLU 82 2HB GLU 82 -1.901 6.496 9.009 600 HB3 GLU 82 3HB GLU 82 -1.205 6.446 10.623 601 HG2 GLU 82 2HG GLU 82 -1.985 3.910 10.448 602 HG3 GLU 82 3HG GLU 82 -1.777 4.248 8.730 603 H VAL 83 H VAL 83 -2.922 8.553 11.109 604 HA VAL 83 HA VAL 83 -2.137 8.347 13.811 605 HB VAL 83 HB VAL 83 -3.265 10.753 12.371 606 HG11 VAL 83 1HG1 VAL 83 -2.173 10.330 15.074 607 HG12 VAL 83 2HG1 VAL 83 -1.556 11.740 14.211 608 HG13 VAL 83 3HG1 VAL 83 -3.290 11.557 14.478 609 HG21 VAL 83 1HG2 VAL 83 -0.901 9.344 11.881 610 HG22 VAL 83 2HG2 VAL 83 -1.328 10.951 11.295 611 HG23 VAL 83 3HG2 VAL 83 -0.417 10.772 12.794 612 H LEU 84 H LEU 84 -5.252 8.871 12.267 613 HA LEU 84 HA LEU 84 -6.701 9.630 14.559 614 HB2 LEU 84 2HB LEU 84 -7.377 8.551 11.875 615 HB3 LEU 84 3HB LEU 84 -8.620 8.494 13.123 616 HG LEU 84 HG LEU 84 -7.208 11.041 12.364 617 HD11 LEU 84 1HD1 LEU 84 -8.617 9.688 10.542 618 HD12 LEU 84 2HD1 LEU 84 -8.629 11.448 10.652 619 HD13 LEU 84 3HD1 LEU 84 -9.940 10.510 11.368 620 HD21 LEU 84 1HD2 LEU 84 -9.713 10.362 13.886 621 HD22 LEU 84 2HD2 LEU 84 -9.363 11.984 13.288 622 HD23 LEU 84 3HD2 LEU 84 -8.286 11.224 14.461 623 H LYS 85 H LYS 85 -6.438 6.453 12.963 624 HA LYS 85 HA LYS 85 -7.908 5.022 14.878 625 HB2 LYS 85 2HB LYS 85 -7.443 4.108 12.672 626 HB3 LYS 85 3HB LYS 85 -5.718 4.084 13.016 627 HG2 LYS 85 2HG LYS 85 -7.399 2.606 14.922 628 HG3 LYS 85 3HG LYS 85 -7.351 1.956 13.281 629 HD2 LYS 85 2HD LYS 85 -4.772 2.745 14.519 630 HD3 LYS 85 3HD LYS 85 -5.558 1.289 15.133 631 HE2 LYS 85 2HE LYS 85 -5.363 1.604 12.190 632 HE3 LYS 85 3HE LYS 85 -3.876 1.250 13.067 633 HZ1 LYS 85 1HZ LYS 85 -4.700 -0.772 13.807 634 HZ2 LYS 85 2HZ LYS 85 -5.269 -0.696 12.216 635 HZ3 LYS 85 3HZ LYS 85 -6.312 -0.358 13.504 636 H ALA 86 H ALA 86 -4.454 5.731 14.632 637 HA ALA 86 HA ALA 86 -3.550 4.100 16.719 638 HB1 ALA 86 1HB ALA 86 -1.666 4.865 15.818 639 HB2 ALA 86 2HB ALA 86 -2.490 6.251 15.103 640 HB3 ALA 86 3HB ALA 86 -1.904 6.335 16.764 641 H PHE 87 H PHE 87 -4.665 7.470 16.751 642 HA PHE 87 HA PHE 87 -4.194 7.919 19.499 643 HB2 PHE 87 2HB PHE 87 -4.645 9.639 17.638 644 HB3 PHE 87 3HB PHE 87 -6.350 9.297 17.911 645 HD1 PHE 87 HD1 PHE 87 -7.448 10.782 19.255 646 HD2 PHE 87 HD2 PHE 87 -3.326 10.014 19.983 647 HE1 PHE 87 HE1 PHE 87 -7.478 12.401 21.108 648 HE2 PHE 87 HE2 PHE 87 -3.348 11.630 21.838 649 HZ PHE 87 HZ PHE 87 -5.426 12.826 22.403 650 H GLN 88 H GLN 88 -7.076 6.884 17.714 651 HA GLN 88 HA GLN 88 -8.889 6.865 19.829 652 HB2 GLN 88 2HB GLN 88 -9.568 6.592 17.496 653 HB3 GLN 88 3HB GLN 88 -8.766 5.029 17.431 654 HG2 GLN 88 2HG GLN 88 -10.462 4.766 19.577 655 HG3 GLN 88 3HG GLN 88 -11.394 5.739 18.441 656 HE21 GLN 88 1HE2 GLN 88 -10.260 2.644 19.231 657 HE22 GLN 88 2HE2 GLN 88 -10.845 1.810 17.836 658 H LEU 89 H LEU 89 -6.732 4.291 18.677 659 HA LEU 89 HA LEU 89 -7.568 2.346 20.547 660 HB2 LEU 89 2HB LEU 89 -6.387 1.748 18.518 661 HB3 LEU 89 3HB LEU 89 -4.965 2.641 19.055 662 HG LEU 89 HG LEU 89 -5.078 0.939 21.068 663 HD11 LEU 89 1HD1 LEU 89 -6.694 -0.347 18.902 664 HD12 LEU 89 2HD1 LEU 89 -7.002 -0.283 20.637 665 HD13 LEU 89 3HD1 LEU 89 -5.723 -1.320 20.007 666 HD21 LEU 89 1HD2 LEU 89 -3.321 1.284 19.235 667 HD22 LEU 89 2HD2 LEU 89 -4.086 -0.084 18.427 668 HD23 LEU 89 3HD2 LEU 89 -3.381 -0.288 20.032 669 H PHE 90 H PHE 90 -4.855 4.635 20.546 670 HA PHE 90 HA PHE 90 -3.663 3.825 22.937 671 HB2 PHE 90 2HB PHE 90 -3.388 5.986 21.087 672 HB3 PHE 90 3HB PHE 90 -3.398 6.648 22.719 673 HD1 PHE 90 HD1 PHE 90 -1.418 6.747 23.880 674 HD2 PHE 90 HD2 PHE 90 -1.840 3.889 20.754 675 HE1 PHE 90 HE1 PHE 90 0.939 6.100 24.158 676 HE2 PHE 90 HE2 PHE 90 0.516 3.236 21.028 677 HZ PHE 90 HZ PHE 90 1.909 4.341 22.732 678 H ASP 91 H ASP 91 -6.402 5.927 22.329 679 HA ASP 91 HA ASP 91 -7.206 5.716 25.095 680 HB2 ASP 91 2HB ASP 91 -7.527 8.301 25.142 681 HB3 ASP 91 3HB ASP 91 -5.940 7.626 25.500 682 H LEU 92 H LEU 92 -9.254 5.118 24.903 683 HA LEU 92 HA LEU 92 -10.856 5.361 22.660 684 HB2 LEU 92 2HB LEU 92 -12.772 5.014 24.274 685 HB3 LEU 92 3HB LEU 92 -11.498 3.796 24.282 686 HG LEU 92 HG LEU 92 -11.143 5.935 26.259 687 HD11 LEU 92 1HD1 LEU 92 -12.936 5.548 27.616 688 HD12 LEU 92 2HD1 LEU 92 -13.226 3.935 26.964 689 HD13 LEU 92 3HD1 LEU 92 -13.706 5.359 26.040 690 HD21 LEU 92 1HD2 LEU 92 -11.032 3.641 27.614 691 HD22 LEU 92 2HD2 LEU 92 -9.684 4.243 26.649 692 HD23 LEU 92 3HD2 LEU 92 -10.762 3.012 25.989 693 H ASP 93 H ASP 93 -10.398 7.591 25.328 694 HA ASP 93 HA ASP 93 -12.390 9.414 24.188 695 HB2 ASP 93 2HB ASP 93 -11.251 8.989 26.877 696 HB3 ASP 93 3HB ASP 93 -11.507 10.674 26.432 697 H LYS 94 H LYS 94 -11.696 11.827 24.493 698 HA LYS 94 HA LYS 94 -8.941 12.136 23.495 699 HB2 LYS 94 2HB LYS 94 -9.885 14.091 22.153 700 HB3 LYS 94 3HB LYS 94 -10.277 12.474 21.584 701 HG2 LYS 94 2HG LYS 94 -12.255 13.465 23.450 702 HG3 LYS 94 3HG LYS 94 -12.053 14.538 22.063 703 HD2 LYS 94 2HD LYS 94 -12.951 13.051 20.629 704 HD3 LYS 94 3HD LYS 94 -12.162 11.676 21.405 705 HE2 LYS 94 2HE LYS 94 -13.854 12.016 23.296 706 HE3 LYS 94 3HE LYS 94 -14.727 13.045 22.162 707 HZ1 LYS 94 1HZ LYS 94 -13.966 10.245 21.555 708 HZ2 LYS 94 2HZ LYS 94 -15.031 11.235 20.691 709 HZ3 LYS 94 3HZ LYS 94 -15.458 10.673 22.229 710 H LYS 95 H LYS 95 -8.565 12.512 25.837 711 HA LYS 95 HA LYS 95 -9.646 14.807 27.121 712 HB2 LYS 95 2HB LYS 95 -7.788 14.441 28.760 713 HB3 LYS 95 3HB LYS 95 -8.797 13.027 28.482 714 HG2 LYS 95 2HG LYS 95 -6.632 12.965 26.638 715 HG3 LYS 95 3HG LYS 95 -5.992 13.258 28.257 716 HD2 LYS 95 2HD LYS 95 -7.729 11.319 28.845 717 HD3 LYS 95 3HD LYS 95 -7.403 10.890 27.164 718 HE2 LYS 95 2HE LYS 95 -4.979 10.916 27.680 719 HE3 LYS 95 3HE LYS 95 -5.373 11.221 29.371 720 HZ1 LYS 95 1HZ LYS 95 -5.429 8.762 27.903 721 HZ2 LYS 95 2HZ LYS 95 -6.873 9.043 28.738 722 HZ3 LYS 95 3HZ LYS 95 -5.403 9.019 29.575 723 H GLY 96 H GLY 96 -6.814 14.213 25.138 724 HA2 GLY 96 2HA GLY 96 -5.467 15.716 24.021 725 HA3 GLY 96 3HA GLY 96 -6.509 17.007 24.601 726 H LYS 97 H LYS 97 -5.302 14.957 27.040 727 HA LYS 97 HA LYS 97 -3.246 16.958 27.720 728 HB2 LYS 97 2HB LYS 97 -4.984 15.320 29.575 729 HB3 LYS 97 3HB LYS 97 -3.679 16.377 30.096 730 HG2 LYS 97 2HG LYS 97 -4.853 18.289 29.633 731 HG3 LYS 97 3HG LYS 97 -5.855 17.507 28.408 732 HD2 LYS 97 2HD LYS 97 -6.468 16.151 30.746 733 HD3 LYS 97 3HD LYS 97 -6.315 17.834 31.256 734 HE2 LYS 97 2HE LYS 97 -7.770 18.227 29.071 735 HE3 LYS 97 3HE LYS 97 -8.268 16.570 29.408 736 HZ1 LYS 97 1HZ LYS 97 -8.520 18.915 31.207 737 HZ2 LYS 97 2HZ LYS 97 -8.817 17.323 31.695 738 HZ3 LYS 97 3HZ LYS 97 -9.774 18.031 30.494 739 H ILE 98 H ILE 98 -1.434 15.976 26.955 740 HA ILE 98 HA ILE 98 -0.683 13.457 28.260 741 HB ILE 98 HB ILE 98 -0.118 14.008 25.348 742 HG12 ILE 98 2HG1 ILE 98 -1.751 11.881 25.269 743 HG13 ILE 98 3HG1 ILE 98 -2.403 12.671 26.700 744 HG21 ILE 98 1HG2 ILE 98 1.547 12.587 26.174 745 HG22 ILE 98 2HG2 ILE 98 0.411 11.700 27.189 746 HG23 ILE 98 3HG2 ILE 98 0.371 11.500 25.437 747 HD11 ILE 98 1HD1 ILE 98 -2.986 13.225 24.030 748 HD12 ILE 98 2HD1 ILE 98 -3.492 14.136 25.454 749 HD13 ILE 98 3HD1 ILE 98 -2.016 14.584 24.598 750 H SER 99 H SER 99 1.265 13.544 29.169 751 HA SER 99 HA SER 99 2.806 15.891 29.191 752 HB2 SER 99 2HB SER 99 4.118 13.301 29.859 753 HB3 SER 99 3HB SER 99 4.125 14.827 30.742 754 HG SER 99 HG SER 99 2.511 12.687 31.048 755 H PHE 100 H PHE 100 4.406 16.621 27.937 756 HA PHE 100 HA PHE 100 4.912 15.636 25.406 757 HB2 PHE 100 2HB PHE 100 6.862 17.129 25.368 758 HB3 PHE 100 3HB PHE 100 5.468 17.923 26.092 759 HD1 PHE 100 HD1 PHE 100 5.418 18.444 28.455 760 HD2 PHE 100 HD2 PHE 100 8.798 16.558 26.686 761 HE1 PHE 100 HE1 PHE 100 6.756 18.979 30.450 762 HE2 PHE 100 HE2 PHE 100 10.142 17.089 28.677 763 HZ PHE 100 HZ PHE 100 9.121 18.300 30.563 764 H ALA 101 H ALA 101 6.515 14.897 28.440 765 HA ALA 101 HA ALA 101 8.764 13.562 27.429 766 HB1 ALA 101 1HB ALA 101 8.644 12.342 29.694 767 HB2 ALA 101 2HB ALA 101 8.870 14.092 29.691 768 HB3 ALA 101 3HB ALA 101 7.279 13.409 30.026 769 H ASN 102 H ASN 102 5.629 12.249 28.505 770 HA ASN 102 HA ASN 102 6.123 9.569 27.968 771 HB2 ASN 102 2HB ASN 102 3.601 11.207 28.008 772 HB3 ASN 102 3HB ASN 102 3.557 9.494 27.603 773 HD21 ASN 102 1HD2 ASN 102 2.127 10.079 29.679 774 HD22 ASN 102 2HD2 ASN 102 2.898 9.658 31.167 775 H LEU 103 H LEU 103 4.686 12.033 25.843 776 HA LEU 103 HA LEU 103 4.208 10.420 23.627 777 HB2 LEU 103 2HB LEU 103 3.506 12.826 24.028 778 HB3 LEU 103 3HB LEU 103 5.113 13.283 23.468 779 HG LEU 103 HG LEU 103 4.603 12.174 21.297 780 HD11 LEU 103 1HD1 LEU 103 2.941 10.648 21.515 781 HD12 LEU 103 2HD1 LEU 103 1.955 12.031 21.042 782 HD13 LEU 103 3HD1 LEU 103 2.088 11.584 22.743 783 HD21 LEU 103 1HD2 LEU 103 4.240 14.321 20.823 784 HD22 LEU 103 2HD2 LEU 103 3.440 14.611 22.369 785 HD23 LEU 103 3HD2 LEU 103 2.522 13.965 21.008 786 H LYS 104 H LYS 104 7.095 12.336 24.422 787 HA LYS 104 HA LYS 104 8.600 11.768 22.153 788 HB2 LYS 104 2HB LYS 104 9.174 13.437 23.929 789 HB3 LYS 104 3HB LYS 104 9.675 12.102 24.958 790 HG2 LYS 104 2HG LYS 104 10.953 11.943 22.382 791 HG3 LYS 104 3HG LYS 104 11.239 13.512 23.140 792 HD2 LYS 104 2HD LYS 104 11.667 10.863 24.517 793 HD3 LYS 104 3HD LYS 104 12.941 11.770 23.698 794 HE2 LYS 104 2HE LYS 104 11.356 13.307 25.641 795 HE3 LYS 104 3HE LYS 104 12.328 12.008 26.330 796 HZ1 LYS 104 1HZ LYS 104 13.242 14.472 25.795 797 HZ2 LYS 104 2HZ LYS 104 13.708 13.648 24.393 798 HZ3 LYS 104 3HZ LYS 104 14.222 13.097 25.908 799 H GLU 105 H GLU 105 8.613 10.065 25.285 800 HA GLU 105 HA GLU 105 10.451 8.090 24.684 801 HB2 GLU 105 2HB GLU 105 9.543 8.430 26.929 802 HB3 GLU 105 3HB GLU 105 7.968 7.859 26.394 803 HG2 GLU 105 2HG GLU 105 8.775 5.652 26.087 804 HG3 GLU 105 3HG GLU 105 10.448 6.167 26.293 805 H VAL 106 H VAL 106 6.910 7.912 24.312 806 HA VAL 106 HA VAL 106 6.731 5.378 23.213 807 HB VAL 106 HB VAL 106 5.023 7.771 22.514 808 HG11 VAL 106 1HG1 VAL 106 4.563 6.108 20.914 809 HG12 VAL 106 2HG1 VAL 106 4.648 4.816 22.114 810 HG13 VAL 106 3HG1 VAL 106 3.295 5.948 22.128 811 HG21 VAL 106 1HG2 VAL 106 3.695 6.060 24.296 812 HG22 VAL 106 2HG2 VAL 106 5.320 6.275 24.948 813 HG23 VAL 106 3HG2 VAL 106 4.309 7.682 24.618 814 H ALA 107 H ALA 107 7.342 8.468 21.597 815 HA ALA 107 HA ALA 107 7.251 7.536 18.951 816 HB1 ALA 107 1HB ALA 107 8.041 9.954 20.319 817 HB2 ALA 107 2HB ALA 107 9.121 9.595 18.971 818 HB3 ALA 107 3HB ALA 107 7.385 9.741 18.696 819 H LYS 108 H LYS 108 10.028 7.974 21.138 820 HA LYS 108 HA LYS 108 11.991 7.039 19.361 821 HB2 LYS 108 2HB LYS 108 11.909 7.057 22.381 822 HB3 LYS 108 3HB LYS 108 13.339 6.640 21.445 823 HG2 LYS 108 2HG LYS 108 11.900 9.281 21.291 824 HG3 LYS 108 3HG LYS 108 13.342 8.968 22.259 825 HD2 LYS 108 2HD LYS 108 14.058 8.044 19.769 826 HD3 LYS 108 3HD LYS 108 13.076 9.464 19.396 827 HE2 LYS 108 2HE LYS 108 14.646 10.348 21.462 828 HE3 LYS 108 3HE LYS 108 15.738 9.274 20.589 829 HZ1 LYS 108 1HZ LYS 108 16.085 11.075 19.329 830 HZ2 LYS 108 2HZ LYS 108 14.650 11.834 19.804 831 HZ3 LYS 108 3HZ LYS 108 14.623 10.660 18.587 832 H LEU 109 H LEU 109 9.803 5.366 21.520 833 HA LEU 109 HA LEU 109 11.051 2.861 21.589 834 HB2 LEU 109 2HB LEU 109 9.166 3.554 23.028 835 HB3 LEU 109 3HB LEU 109 8.095 3.455 21.632 836 HG LEU 109 HG LEU 109 9.296 0.949 21.769 837 HD11 LEU 109 1HD1 LEU 109 8.614 1.970 24.517 838 HD12 LEU 109 2HD1 LEU 109 10.156 1.318 23.962 839 HD13 LEU 109 3HD1 LEU 109 8.752 0.261 24.106 840 HD21 LEU 109 1HD2 LEU 109 6.621 1.765 22.894 841 HD22 LEU 109 2HD2 LEU 109 7.081 0.179 22.273 842 HD23 LEU 109 3HD2 LEU 109 6.957 1.555 21.175 843 H LEU 110 H LEU 110 8.993 4.362 19.183 844 HA LEU 110 HA LEU 110 8.462 2.028 17.666 845 HB2 LEU 110 2HB LEU 110 8.547 4.890 16.726 846 HB3 LEU 110 3HB LEU 110 7.752 3.543 15.914 847 HG LEU 110 HG LEU 110 6.945 4.823 18.523 848 HD11 LEU 110 1HD1 LEU 110 6.117 6.215 16.894 849 HD12 LEU 110 2HD1 LEU 110 4.794 5.061 17.059 850 HD13 LEU 110 3HD1 LEU 110 5.931 4.912 15.720 851 HD21 LEU 110 1HD2 LEU 110 6.309 2.205 17.349 852 HD22 LEU 110 2HD2 LEU 110 4.914 3.156 17.862 853 HD23 LEU 110 3HD2 LEU 110 6.188 2.765 19.018 854 H GLY 111 H GLY 111 11.269 3.892 18.077 855 HA2 GLY 111 2HA GLY 111 13.389 3.296 17.259 856 HA3 GLY 111 3HA GLY 111 12.613 2.343 16.003 857 H GLU 112 H GLU 112 11.443 5.540 16.489 858 HA GLU 112 HA GLU 112 12.545 6.312 13.897 859 HB2 GLU 112 2HB GLU 112 10.043 6.580 14.860 860 HB3 GLU 112 3HB GLU 112 10.710 8.131 15.349 861 HG2 GLU 112 2HG GLU 112 10.011 8.760 13.313 862 HG3 GLU 112 3HG GLU 112 11.551 8.068 12.806 863 H ASN 113 H ASN 113 14.033 7.871 13.619 864 HA ASN 113 HA ASN 113 14.903 9.362 16.008 865 HB2 ASN 113 2HB ASN 113 16.448 7.926 13.906 866 HB3 ASN 113 3HB ASN 113 17.132 9.421 14.537 867 HD21 ASN 113 1HD2 ASN 113 17.755 9.529 16.692 868 HD22 ASN 113 2HD2 ASN 113 17.979 8.112 17.654 869 HA PRO 114 HA PRO 114 13.490 12.355 12.726 870 HB2 PRO 114 2HB PRO 114 11.955 13.845 14.398 871 HB3 PRO 114 3HB PRO 114 11.348 12.414 13.557 872 HG2 PRO 114 2HG PRO 114 12.311 12.687 16.379 873 HG3 PRO 114 3HG PRO 114 10.899 11.812 15.758 874 HD2 PRO 114 2HD PRO 114 13.216 10.568 16.404 875 HD3 PRO 114 3HD PRO 114 12.157 9.996 15.099 876 H GLY 115 H GLY 115 13.657 14.800 12.847 877 HA2 GLY 115 2HA GLY 115 16.215 15.478 13.957 878 HA3 GLY 115 3HA GLY 115 15.157 16.546 13.047 879 H ASP 116 H ASP 116 16.722 16.744 15.666 880 HA ASP 116 HA ASP 116 15.037 16.918 17.855 881 HB2 ASP 116 2HB ASP 116 17.473 18.540 17.116 882 HB3 ASP 116 3HB ASP 116 16.658 18.698 18.670 883 H ASP 117 H ASP 117 15.590 19.246 15.269 884 HA ASP 117 HA ASP 117 14.250 21.441 16.358 885 HB2 ASP 117 2HB ASP 117 14.237 20.728 13.426 886 HB3 ASP 117 3HB ASP 117 14.176 22.332 14.151 887 H VAL 118 H VAL 118 13.034 18.627 14.628 888 HA VAL 118 HA VAL 118 10.373 19.578 14.320 889 HB VAL 118 HB VAL 118 11.316 16.709 14.391 890 HG11 VAL 118 1HG1 VAL 118 8.937 16.824 14.596 891 HG12 VAL 118 2HG1 VAL 118 8.829 18.009 13.294 892 HG13 VAL 118 3HG1 VAL 118 9.315 16.351 12.940 893 HG21 VAL 118 1HG2 VAL 118 12.563 18.043 12.750 894 HG22 VAL 118 2HG2 VAL 118 11.505 16.867 11.970 895 HG23 VAL 118 3HG2 VAL 118 11.041 18.567 12.029 896 H LEU 119 H LEU 119 12.082 17.911 16.867 897 HA LEU 119 HA LEU 119 9.778 17.073 18.317 898 HB2 LEU 119 2HB LEU 119 12.435 16.516 18.451 899 HB3 LEU 119 3HB LEU 119 12.238 17.581 19.841 900 HG LEU 119 HG LEU 119 12.050 15.329 20.600 901 HD11 LEU 119 1HD1 LEU 119 10.218 17.221 21.138 902 HD12 LEU 119 2HD1 LEU 119 10.230 15.629 21.895 903 HD13 LEU 119 3HD1 LEU 119 9.169 15.944 20.523 904 HD21 LEU 119 1HD2 LEU 119 10.407 15.015 18.163 905 HD22 LEU 119 2HD2 LEU 119 9.910 14.088 19.579 906 HD23 LEU 119 3HD2 LEU 119 11.537 13.896 18.925 907 H GLN 120 H GLN 120 12.131 19.689 18.913 908 HA GLN 120 HA GLN 120 10.743 20.862 21.046 909 HB2 GLN 120 2HB GLN 120 12.492 22.364 19.104 910 HB3 GLN 120 3HB GLN 120 12.205 22.726 20.801 911 HG2 GLN 120 2HG GLN 120 13.875 20.554 19.601 912 HG3 GLN 120 3HG GLN 120 14.336 21.800 20.759 913 HE21 GLN 120 1HE2 GLN 120 12.895 21.677 22.825 914 HE22 GLN 120 2HE2 GLN 120 12.771 20.101 23.521 915 H GLU 121 H GLU 121 10.669 21.554 17.570 916 HA GLU 121 HA GLU 121 8.935 23.765 17.698 917 HB2 GLU 121 2HB GLU 121 9.572 21.786 15.520 918 HB3 GLU 121 3HB GLU 121 8.412 23.085 15.275 919 HG2 GLU 121 2HG GLU 121 10.914 24.031 16.400 920 HG3 GLU 121 3HG GLU 121 11.129 23.215 14.853 921 H MET 122 H MET 122 8.290 20.307 17.231 922 HA MET 122 HA MET 122 5.539 20.454 16.819 923 HB2 MET 122 2HB MET 122 6.701 18.392 16.427 924 HB3 MET 122 3HB MET 122 7.222 18.302 18.104 925 HG2 MET 122 2HG MET 122 5.020 17.839 18.852 926 HG3 MET 122 3HG MET 122 4.339 18.211 17.270 927 HE1 MET 122 1HE MET 122 3.637 16.313 15.681 928 HE2 MET 122 2HE MET 122 5.199 16.870 15.080 929 HE3 MET 122 3HE MET 122 4.854 15.142 15.172 930 H ILE 123 H ILE 123 7.275 19.859 19.878 931 HA ILE 123 HA ILE 123 5.032 19.838 21.543 932 HB ILE 123 HB ILE 123 7.841 20.716 22.221 933 HG12 ILE 123 2HG1 ILE 123 7.680 18.426 21.294 934 HG13 ILE 123 3HG1 ILE 123 8.167 18.428 22.986 935 HG21 ILE 123 1HG2 ILE 123 6.840 21.396 24.116 936 HG22 ILE 123 2HG2 ILE 123 5.391 20.439 23.816 937 HG23 ILE 123 3HG2 ILE 123 6.824 19.676 24.503 938 HD11 ILE 123 1HD1 ILE 123 6.571 16.666 22.555 939 HD12 ILE 123 2HD1 ILE 123 5.870 17.876 23.631 940 HD13 ILE 123 3HD1 ILE 123 5.413 17.839 21.928 941 H ALA 124 H ALA 124 7.024 22.511 20.396 942 HA ALA 124 HA ALA 124 6.007 24.532 22.046 943 HB1 ALA 124 1HB ALA 124 7.580 25.662 20.968 944 HB2 ALA 124 2HB ALA 124 7.737 24.354 19.795 945 HB3 ALA 124 3HB ALA 124 6.581 25.656 19.514 946 H GLU 125 H GLU 125 4.980 23.500 18.798 947 HA GLU 125 HA GLU 125 2.883 25.355 18.530 948 HB2 GLU 125 2HB GLU 125 3.508 22.722 17.233 949 HB3 GLU 125 3HB GLU 125 1.992 23.543 16.890 950 HG2 GLU 125 2HG GLU 125 3.509 25.582 16.377 951 HG3 GLU 125 3HG GLU 125 4.780 24.370 16.229 952 H ALA 126 H ALA 126 2.854 21.956 19.580 953 HA ALA 126 HA ALA 126 0.090 21.802 20.082 954 HB1 ALA 126 1HB ALA 126 2.349 20.229 21.314 955 HB2 ALA 126 2HB ALA 126 0.638 19.808 21.410 956 HB3 ALA 126 3HB ALA 126 1.458 19.814 19.849 957 H ASP 127 H ASP 127 2.717 23.126 21.920 958 HA ASP 127 HA ASP 127 1.458 23.108 24.466 959 HB2 ASP 127 2HB ASP 127 3.887 24.259 23.275 960 HB3 ASP 127 3HB ASP 127 3.200 25.219 24.583 961 H GLU 128 H GLU 128 1.264 25.191 21.696 962 HA GLU 128 HA GLU 128 0.301 27.529 22.894 963 HB2 GLU 128 2HB GLU 128 1.007 27.084 20.445 964 HB3 GLU 128 3HB GLU 128 -0.658 26.568 20.213 965 HG2 GLU 128 2HG GLU 128 -1.384 28.659 20.101 966 HG3 GLU 128 3HG GLU 128 -0.520 29.114 21.568 967 H ASP 129 H ASP 129 -1.239 24.492 22.240 968 HA ASP 129 HA ASP 129 -3.930 25.322 22.304 969 HB2 ASP 129 2HB ASP 129 -2.920 23.037 21.620 970 HB3 ASP 129 3HB ASP 129 -3.012 22.651 23.337 971 H GLY 130 H GLY 130 -1.594 24.702 24.820 972 HA2 GLY 130 2HA GLY 130 -3.473 25.770 26.781 973 HA3 GLY 130 3HA GLY 130 -2.864 24.149 27.081 974 H ASP 131 H ASP 131 -1.568 24.422 28.804 975 HA ASP 131 HA ASP 131 0.713 26.246 28.471 976 HB2 ASP 131 2HB ASP 131 -0.718 25.816 31.098 977 HB3 ASP 131 3HB ASP 131 0.589 26.950 30.767 978 H GLY 132 H GLY 132 2.038 24.515 27.882 979 HA2 GLY 132 2HA GLY 132 3.724 23.033 28.482 980 HA3 GLY 132 3HA GLY 132 3.089 23.017 30.120 981 H GLU 133 H GLU 133 0.889 22.423 27.532 982 HA GLU 133 HA GLU 133 0.985 19.537 28.116 983 HB2 GLU 133 2HB GLU 133 -1.351 21.406 27.982 984 HB3 GLU 133 3HB GLU 133 -1.568 19.718 27.542 985 HG2 GLU 133 2HG GLU 133 -1.468 19.021 29.663 986 HG3 GLU 133 3HG GLU 133 -0.156 20.125 30.071 987 H VAL 134 H VAL 134 0.593 18.126 26.417 988 HA VAL 134 HA VAL 134 0.750 19.351 23.745 989 HB VAL 134 HB VAL 134 1.496 16.526 24.507 990 HG11 VAL 134 1HG1 VAL 134 0.916 17.499 22.048 991 HG12 VAL 134 2HG1 VAL 134 2.651 17.811 22.129 992 HG13 VAL 134 3HG1 VAL 134 2.037 16.172 22.352 993 HG21 VAL 134 1HG2 VAL 134 3.852 17.676 23.953 994 HG22 VAL 134 2HG2 VAL 134 3.010 19.062 24.645 995 HG23 VAL 134 3HG2 VAL 134 3.188 17.580 25.584 996 H SER 135 H SER 135 -1.087 19.346 22.645 997 HA SER 135 HA SER 135 -2.974 17.121 23.060 998 HB2 SER 135 2HB SER 135 -4.005 19.155 23.790 999 HB3 SER 135 3HB SER 135 -3.482 20.013 22.341 1000 HG SER 135 HG SER 135 -5.524 19.486 21.875 1001 H PHE 136 H PHE 136 -2.576 15.711 21.459 1002 HA PHE 136 HA PHE 136 -1.579 16.284 18.924 1003 HB2 PHE 136 2HB PHE 136 -2.454 13.989 20.323 1004 HB3 PHE 136 3HB PHE 136 -3.325 14.005 18.794 1005 HD1 PHE 136 HD1 PHE 136 -0.733 12.479 20.203 1006 HD2 PHE 136 HD2 PHE 136 -1.474 15.035 16.881 1007 HE1 PHE 136 HE1 PHE 136 1.255 11.576 19.069 1008 HE2 PHE 136 HE2 PHE 136 0.512 14.135 15.741 1009 HZ PHE 136 HZ PHE 136 1.879 12.403 16.835 1010 H GLU 137 H GLU 137 -4.839 16.405 20.156 1011 HA GLU 137 HA GLU 137 -6.334 16.317 17.833 1012 HB2 GLU 137 2HB GLU 137 -7.207 16.456 20.188 1013 HB3 GLU 137 3HB GLU 137 -6.863 18.179 20.150 1014 HG2 GLU 137 2HG GLU 137 -8.468 18.550 18.444 1015 HG3 GLU 137 3HG GLU 137 -8.671 16.820 18.173 1016 H GLU 138 H GLU 138 -4.482 18.986 19.188 1017 HA GLU 138 HA GLU 138 -5.436 21.014 17.484 1018 HB2 GLU 138 2HB GLU 138 -3.818 20.996 19.635 1019 HB3 GLU 138 3HB GLU 138 -2.609 21.141 18.367 1020 HG2 GLU 138 2HG GLU 138 -4.879 22.957 18.064 1021 HG3 GLU 138 3HG GLU 138 -3.932 23.215 19.529 1022 H PHE 139 H PHE 139 -2.535 18.964 17.260 1023 HA PHE 139 HA PHE 139 -1.531 19.982 14.871 1024 HB2 PHE 139 2HB PHE 139 -1.068 17.667 16.545 1025 HB3 PHE 139 3HB PHE 139 -0.937 17.244 14.841 1026 HD1 PHE 139 HD1 PHE 139 1.229 17.209 14.112 1027 HD2 PHE 139 HD2 PHE 139 0.055 20.187 16.917 1028 HE1 PHE 139 HE1 PHE 139 3.500 18.155 14.053 1029 HE2 PHE 139 HE2 PHE 139 2.323 21.138 16.862 1030 HZ PHE 139 HZ PHE 139 4.049 20.123 15.428 1031 H LYS 140 H LYS 140 -3.603 17.122 15.346 1032 HA LYS 140 HA LYS 140 -3.949 16.439 12.678 1033 HB2 LYS 140 2HB LYS 140 -4.666 15.005 14.525 1034 HB3 LYS 140 3HB LYS 140 -5.918 16.162 14.957 1035 HG2 LYS 140 2HG LYS 140 -7.044 14.496 13.783 1036 HG3 LYS 140 3HG LYS 140 -6.831 15.791 12.603 1037 HD2 LYS 140 2HD LYS 140 -4.623 13.870 12.673 1038 HD3 LYS 140 3HD LYS 140 -6.173 13.165 12.206 1039 HE2 LYS 140 2HE LYS 140 -5.668 15.718 10.910 1040 HE3 LYS 140 3HE LYS 140 -4.422 14.524 10.554 1041 HZ1 LYS 140 1HZ LYS 140 -7.190 13.628 10.380 1042 HZ2 LYS 140 2HZ LYS 140 -5.860 13.226 9.416 1043 HZ3 LYS 140 3HZ LYS 140 -6.663 14.696 9.178 1044 H SER 141 H SER 141 -5.824 18.689 14.676 1045 HA SER 141 HA SER 141 -7.831 19.301 12.844 1046 HB2 SER 141 2HB SER 141 -8.212 20.126 14.993 1047 HB3 SER 141 3HB SER 141 -6.590 20.804 15.128 1048 HG SER 141 HG SER 141 -7.302 22.589 14.289 1049 H VAL 142 H VAL 142 -4.705 20.915 13.365 1050 HA VAL 142 HA VAL 142 -4.985 22.891 11.405 1051 HB VAL 142 HB VAL 142 -2.424 21.569 12.312 1052 HG11 VAL 142 1HG1 VAL 142 -3.027 24.039 10.738 1053 HG12 VAL 142 2HG1 VAL 142 -1.582 23.962 11.749 1054 HG13 VAL 142 3HG1 VAL 142 -1.813 22.794 10.448 1055 HG21 VAL 142 1HG2 VAL 142 -4.276 23.065 13.797 1056 HG22 VAL 142 2HG2 VAL 142 -2.639 22.608 14.265 1057 HG23 VAL 142 3HG2 VAL 142 -2.927 24.150 13.461 1058 H MET 143 H MET 143 -3.633 19.619 11.204 1059 HA MET 143 HA MET 143 -2.685 19.725 8.585 1060 HB2 MET 143 2HB MET 143 -2.296 17.890 10.271 1061 HB3 MET 143 3HB MET 143 -3.910 17.298 9.900 1062 HG2 MET 143 2HG MET 143 -3.155 16.200 8.140 1063 HG3 MET 143 3HG MET 143 -2.452 17.671 7.472 1064 HE1 MET 143 1HE MET 143 -0.961 15.978 11.010 1065 HE2 MET 143 2HE MET 143 -2.179 15.061 10.123 1066 HE3 MET 143 3HE MET 143 -0.496 14.531 10.115 1067 H MET 144 H MET 144 -5.865 18.664 9.782 1068 HA MET 144 HA MET 144 -6.980 18.039 7.291 1069 HB2 MET 144 2HB MET 144 -7.891 17.504 9.613 1070 HB3 MET 144 3HB MET 144 -8.539 19.139 9.625 1071 HG2 MET 144 2HG MET 144 -9.560 18.382 7.318 1072 HG3 MET 144 3HG MET 144 -9.361 16.780 8.024 1073 HE1 MET 144 1HE MET 144 -10.676 20.188 8.171 1074 HE2 MET 144 2HE MET 144 -12.287 20.036 8.871 1075 HE3 MET 144 3HE MET 144 -10.895 20.321 9.916 1076 H GLN 145 H GLN 145 -7.054 21.061 9.154 1077 HA GLN 145 HA GLN 145 -8.702 22.546 7.480 1078 HB2 GLN 145 2HB GLN 145 -7.620 23.109 9.799 1079 HB3 GLN 145 3HB GLN 145 -6.350 23.829 8.817 1080 HG2 GLN 145 2HG GLN 145 -8.184 25.143 7.665 1081 HG3 GLN 145 3HG GLN 145 -9.246 24.596 8.961 1082 HE21 GLN 145 1HE2 GLN 145 -9.199 27.124 8.943 1083 HE22 GLN 145 2HE2 GLN 145 -8.119 27.826 10.094 1084 H MET 146 H MET 146 -5.167 22.193 7.401 1085 HA MET 146 HA MET 146 -4.692 23.910 5.237 1086 HB2 MET 146 2HB MET 146 -3.205 21.850 6.699 1087 HB3 MET 146 3HB MET 146 -2.719 22.008 5.017 1088 HG2 MET 146 2HG MET 146 -3.007 24.520 6.531 1089 HG3 MET 146 3HG MET 146 -1.681 23.463 7.008 1090 HE1 MET 146 1HE MET 146 -0.240 25.470 6.567 1091 HE2 MET 146 2HE MET 146 0.334 25.979 4.980 1092 HE3 MET 146 3HE MET 146 -1.211 26.572 5.591 1093 H ARG 147 H ARG 147 -5.205 20.392 5.315 1094 HA ARG 147 HA ARG 147 -4.880 19.866 2.607 1095 HB2 ARG 147 2HB ARG 147 -6.422 18.555 4.807 1096 HB3 ARG 147 3HB ARG 147 -6.662 18.003 3.154 1097 HG2 ARG 147 2HG ARG 147 -3.921 18.219 4.344 1098 HG3 ARG 147 3HG ARG 147 -4.931 16.793 4.593 1099 HD2 ARG 147 2HD ARG 147 -4.856 17.606 1.810 1100 HD3 ARG 147 3HD ARG 147 -3.244 17.279 2.445 1101 HE ARG 147 HE ARG 147 -5.065 15.220 3.160 1102 HH11 ARG 147 1HH1 ARG 147 -3.187 16.456 0.502 1103 HH12 ARG 147 2HH1 ARG 147 -3.051 14.920 -0.287 1104 HH21 ARG 147 1HH2 ARG 147 -4.893 13.192 2.131 1105 HH22 ARG 147 2HH2 ARG 147 -4.023 13.064 0.640 1106 H GLY 148 H GLY 148 -7.780 20.885 4.373 1107 HA2 GLY 148 2HA GLY 148 -9.590 20.702 2.228 1108 HA3 GLY 148 3HA GLY 148 -9.788 21.724 3.643 1109 H LYS 149 H LYS 149 -8.081 23.652 3.551 1110 HA LYS 149 HA LYS 149 -8.952 25.416 1.610 1111 HB2 LYS 149 2HB LYS 149 -6.262 25.529 2.982 1112 HB3 LYS 149 3HB LYS 149 -7.158 26.882 2.303 1113 HG2 LYS 149 2HG LYS 149 -8.887 25.671 4.142 1114 HG3 LYS 149 3HG LYS 149 -7.306 25.730 4.924 1115 HD2 LYS 149 2HD LYS 149 -8.463 27.759 5.443 1116 HD3 LYS 149 3HD LYS 149 -7.174 28.147 4.300 1117 HE2 LYS 149 2HE LYS 149 -9.343 27.553 2.686 1118 HE3 LYS 149 3HE LYS 149 -10.052 28.440 4.035 1119 HZ1 LYS 149 1HZ LYS 149 -7.672 29.428 2.579 1120 HZ2 LYS 149 2HZ LYS 149 -8.702 30.290 3.607 1121 HZ3 LYS 149 3HZ LYS 149 -9.247 29.798 2.083 Start of MODEL 6 1 H1 MET 1 H MET 1 1.916 -1.357 0.977 2 HA MET 1 HA MET 1 3.239 -1.759 -0.877 3 HB2 MET 1 2HB MET 1 1.044 -2.205 -2.111 4 HB3 MET 1 3HB MET 1 1.112 -0.522 -2.616 5 HG2 MET 1 2HG MET 1 3.602 -1.932 -3.100 6 HG3 MET 1 3HG MET 1 2.229 -2.669 -3.922 7 HE1 MET 1 1HE MET 1 1.841 -1.241 -6.843 8 HE2 MET 1 2HE MET 1 0.965 -1.954 -5.489 9 HE3 MET 1 3HE MET 1 0.647 -0.285 -5.965 10 H ALA 2 H ALA 2 1.349 1.177 -1.616 11 HA ALA 2 HA ALA 2 3.822 2.743 -1.304 12 HB1 ALA 2 1HB ALA 2 2.157 2.432 -3.680 13 HB2 ALA 2 2HB ALA 2 2.449 4.115 -3.239 14 HB3 ALA 2 3HB ALA 2 3.809 3.028 -3.521 15 H ALA 3 H ALA 3 3.598 4.793 -0.451 16 HA ALA 3 HA ALA 3 0.962 5.373 0.718 17 HB1 ALA 3 1HB ALA 3 3.645 6.441 1.582 18 HB2 ALA 3 2HB ALA 3 2.106 6.617 2.426 19 HB3 ALA 3 3HB ALA 3 2.857 5.027 2.283 20 H LEU 4 H LEU 4 0.301 7.623 0.870 21 HA LEU 4 HA LEU 4 0.419 8.962 -1.588 22 HB2 LEU 4 2HB LEU 4 -0.617 10.862 -0.341 23 HB3 LEU 4 3HB LEU 4 -1.450 9.318 -0.175 24 HG LEU 4 HG LEU 4 0.118 9.254 2.021 25 HD11 LEU 4 1HD1 LEU 4 0.759 11.692 1.255 26 HD12 LEU 4 2HD1 LEU 4 0.536 11.292 2.958 27 HD13 LEU 4 3HD1 LEU 4 -0.755 12.095 2.064 28 HD21 LEU 4 1HD2 LEU 4 -1.890 10.035 3.253 29 HD22 LEU 4 2HD2 LEU 4 -2.245 8.818 2.026 30 HD23 LEU 4 3HD2 LEU 4 -2.602 10.517 1.713 31 H THR 5 H THR 5 2.220 9.431 1.407 32 HA THR 5 HA THR 5 3.456 11.846 0.912 33 HB THR 5 HB THR 5 5.387 10.945 2.268 34 HG1 THR 5 HG1 THR 5 5.328 8.866 2.943 35 HG21 THR 5 1HG2 THR 5 2.544 10.755 3.228 36 HG22 THR 5 2HG2 THR 5 3.715 12.047 3.495 37 HG23 THR 5 3HG2 THR 5 3.908 10.498 4.314 38 H ASP 6 H ASP 6 4.443 8.617 -0.173 39 HA ASP 6 HA ASP 6 6.860 9.314 -1.379 40 HB2 ASP 6 2HB ASP 6 4.874 7.123 -1.966 41 HB3 ASP 6 3HB ASP 6 6.388 7.275 -2.854 42 H GLU 7 H GLU 7 3.588 9.201 -2.756 43 HA GLU 7 HA GLU 7 4.314 9.938 -5.373 44 HB2 GLU 7 2HB GLU 7 2.131 8.940 -4.759 45 HB3 GLU 7 3HB GLU 7 1.692 10.439 -3.953 46 HG2 GLU 7 2HG GLU 7 2.305 11.409 -6.369 47 HG3 GLU 7 3HG GLU 7 1.792 9.786 -6.827 48 H GLN 8 H GLN 8 3.591 11.820 -2.503 49 HA GLN 8 HA GLN 8 3.315 14.335 -3.743 50 HB2 GLN 8 2HB GLN 8 2.927 13.463 -1.238 51 HB3 GLN 8 3HB GLN 8 4.509 14.203 -1.028 52 HG2 GLN 8 2HG GLN 8 2.413 15.775 -2.418 53 HG3 GLN 8 3HG GLN 8 2.270 15.552 -0.676 54 HE21 GLN 8 1HE2 GLN 8 3.565 17.436 -3.080 55 HE22 GLN 8 2HE2 GLN 8 4.752 18.284 -2.155 56 H ILE 9 H ILE 9 6.117 12.927 -2.043 57 HA ILE 9 HA ILE 9 7.914 14.989 -2.676 58 HB ILE 9 HB ILE 9 9.702 13.329 -2.175 59 HG12 ILE 9 2HG1 ILE 9 7.361 11.441 -1.832 60 HG13 ILE 9 3HG1 ILE 9 8.593 11.338 -3.085 61 HG21 ILE 9 1HG2 ILE 9 9.295 13.303 0.118 62 HG22 ILE 9 2HG2 ILE 9 8.323 14.656 -0.460 63 HG23 ILE 9 3HG2 ILE 9 7.556 13.110 -0.096 64 HD11 ILE 9 1HD1 ILE 9 8.613 10.273 -0.440 65 HD12 ILE 9 2HD1 ILE 9 9.776 10.042 -1.746 66 HD13 ILE 9 3HD1 ILE 9 9.957 11.397 -0.633 67 H ARG 10 H ARG 10 6.943 12.112 -4.428 68 HA ARG 10 HA ARG 10 9.006 12.105 -6.350 69 HB2 ARG 10 2HB ARG 10 7.555 10.173 -5.997 70 HB3 ARG 10 3HB ARG 10 6.164 11.094 -6.556 71 HG2 ARG 10 2HG ARG 10 6.818 9.708 -8.347 72 HG3 ARG 10 3HG ARG 10 7.351 11.338 -8.761 73 HD2 ARG 10 2HD ARG 10 9.608 10.747 -7.882 74 HD3 ARG 10 3HD ARG 10 9.039 9.091 -7.671 75 HE ARG 10 HE ARG 10 8.628 10.019 -10.332 76 HH11 ARG 10 1HH1 ARG 10 11.038 8.778 -8.148 77 HH12 ARG 10 2HH1 ARG 10 12.026 8.115 -9.407 78 HH21 ARG 10 1HH2 ARG 10 9.921 9.151 -11.999 79 HH22 ARG 10 2HH2 ARG 10 11.390 8.329 -11.597 80 H GLU 11 H GLU 11 5.679 13.375 -6.542 81 HA GLU 11 HA GLU 11 5.935 14.518 -9.092 82 HB2 GLU 11 2HB GLU 11 3.963 14.412 -7.030 83 HB3 GLU 11 3HB GLU 11 4.124 16.082 -7.555 84 HG2 GLU 11 2HG GLU 11 3.857 15.252 -9.913 85 HG3 GLU 11 3HG GLU 11 3.427 13.687 -9.226 86 H ALA 12 H ALA 12 6.562 15.816 -5.871 87 HA ALA 12 HA ALA 12 6.983 18.493 -6.586 88 HB1 ALA 12 1HB ALA 12 8.605 17.313 -4.395 89 HB2 ALA 12 2HB ALA 12 7.677 18.813 -4.438 90 HB3 ALA 12 3HB ALA 12 6.848 17.268 -4.247 91 H PHE 13 H PHE 13 9.368 15.884 -6.109 92 HA PHE 13 HA PHE 13 11.624 17.359 -6.856 93 HB2 PHE 13 2HB PHE 13 11.868 15.247 -5.713 94 HB3 PHE 13 3HB PHE 13 11.079 14.391 -7.034 95 HD1 PHE 13 HD1 PHE 13 12.590 13.003 -8.059 96 HD2 PHE 13 HD2 PHE 13 13.821 16.919 -6.933 97 HE1 PHE 13 HE1 PHE 13 14.779 12.615 -9.114 98 HE2 PHE 13 HE2 PHE 13 16.011 16.537 -7.986 99 HZ PHE 13 HZ PHE 13 16.492 14.383 -9.079 100 H ASN 14 H ASN 14 9.291 15.564 -8.775 101 HA ASN 14 HA ASN 14 10.712 15.599 -11.214 102 HB2 ASN 14 2HB ASN 14 8.649 14.205 -10.586 103 HB3 ASN 14 3HB ASN 14 7.706 15.634 -10.997 104 HD21 ASN 14 1HD2 ASN 14 6.954 15.655 -12.977 105 HD22 ASN 14 2HD2 ASN 14 7.665 14.885 -14.350 106 H LEU 15 H LEU 15 8.338 17.817 -9.807 107 HA LEU 15 HA LEU 15 8.148 19.537 -12.040 108 HB2 LEU 15 2HB LEU 15 7.118 19.405 -9.379 109 HB3 LEU 15 3HB LEU 15 7.722 21.032 -9.681 110 HG LEU 15 HG LEU 15 5.330 20.842 -10.154 111 HD11 LEU 15 1HD1 LEU 15 6.804 21.161 -12.752 112 HD12 LEU 15 2HD1 LEU 15 6.892 22.353 -11.457 113 HD13 LEU 15 3HD1 LEU 15 5.342 21.985 -12.211 114 HD21 LEU 15 1HD2 LEU 15 6.093 18.947 -12.367 115 HD22 LEU 15 2HD2 LEU 15 4.472 19.460 -11.899 116 HD23 LEU 15 3HD2 LEU 15 5.419 18.433 -10.821 117 H PHE 16 H PHE 16 9.990 19.851 -9.005 118 HA PHE 16 HA PHE 16 11.280 22.242 -9.582 119 HB2 PHE 16 2HB PHE 16 12.082 19.880 -7.894 120 HB3 PHE 16 3HB PHE 16 13.096 21.314 -8.019 121 HD1 PHE 16 HD1 PHE 16 11.408 23.552 -7.870 122 HD2 PHE 16 HD2 PHE 16 10.969 19.805 -5.899 123 HE1 PHE 16 HE1 PHE 16 10.087 24.641 -6.103 124 HE2 PHE 16 HE2 PHE 16 9.647 20.888 -4.129 125 HZ PHE 16 HZ PHE 16 9.204 23.308 -4.229 126 H ASP 17 H ASP 17 12.231 18.924 -10.362 127 HA ASP 17 HA ASP 17 14.710 19.657 -11.567 128 HB2 ASP 17 2HB ASP 17 14.025 17.365 -10.622 129 HB3 ASP 17 3HB ASP 17 13.191 17.123 -12.155 130 H ALA 18 H ALA 18 11.428 19.472 -12.659 131 HA ALA 18 HA ALA 18 11.728 19.137 -15.393 132 HB1 ALA 18 1HB ALA 18 9.735 21.094 -14.328 133 HB2 ALA 18 2HB ALA 18 9.559 19.902 -15.617 134 HB3 ALA 18 3HB ALA 18 9.595 19.381 -13.933 135 H ASP 19 H ASP 19 12.446 21.897 -13.404 136 HA ASP 19 HA ASP 19 12.418 23.966 -15.241 137 HB2 ASP 19 2HB ASP 19 12.935 24.019 -12.717 138 HB3 ASP 19 3HB ASP 19 14.601 23.690 -13.185 139 H GLY 20 H GLY 20 14.687 21.342 -14.892 140 HA2 GLY 20 2HA GLY 20 16.152 20.581 -16.550 141 HA3 GLY 20 3HA GLY 20 15.914 22.088 -17.421 142 H SER 21 H SER 21 16.673 22.227 -14.053 143 HA SER 21 HA SER 21 19.361 23.204 -14.747 144 HB2 SER 21 2HB SER 21 17.446 24.587 -13.457 145 HB3 SER 21 3HB SER 21 18.212 23.804 -12.075 146 HG SER 21 HG SER 21 19.240 25.697 -13.854 147 H GLY 22 H GLY 22 21.117 22.723 -13.303 148 HA2 GLY 22 2HA GLY 22 21.149 19.995 -12.490 149 HA3 GLY 22 3HA GLY 22 22.433 21.167 -12.235 150 H ALA 23 H ALA 23 20.351 22.924 -10.860 151 HA ALA 23 HA ALA 23 19.720 21.445 -8.458 152 HB1 ALA 23 1HB ALA 23 21.871 21.861 -7.739 153 HB2 ALA 23 2HB ALA 23 21.959 23.420 -8.560 154 HB3 ALA 23 3HB ALA 23 21.000 23.250 -7.089 155 H ILE 24 H ILE 24 18.580 22.816 -6.855 156 HA ILE 24 HA ILE 24 17.169 25.031 -8.194 157 HB ILE 24 HB ILE 24 16.044 23.290 -6.002 158 HG12 ILE 24 2HG1 ILE 24 14.602 22.640 -8.208 159 HG13 ILE 24 3HG1 ILE 24 16.188 22.896 -8.929 160 HG21 ILE 24 1HG2 ILE 24 14.559 25.047 -7.934 161 HG22 ILE 24 2HG2 ILE 24 13.979 24.333 -6.431 162 HG23 ILE 24 3HG2 ILE 24 15.161 25.641 -6.387 163 HD11 ILE 24 1HD1 ILE 24 17.122 21.119 -7.828 164 HD12 ILE 24 2HD1 ILE 24 15.950 21.178 -6.511 165 HD13 ILE 24 3HD1 ILE 24 15.477 20.540 -8.085 166 H ASP 25 H ASP 25 17.225 26.971 -7.257 167 HA ASP 25 HA ASP 25 18.589 27.234 -4.693 168 HB2 ASP 25 2HB ASP 25 17.681 29.409 -6.589 169 HB3 ASP 25 3HB ASP 25 18.785 29.589 -5.228 170 H ALA 26 H ALA 26 17.692 29.237 -3.380 171 HA ALA 26 HA ALA 26 15.205 28.432 -2.312 172 HB1 ALA 26 1HB ALA 26 17.253 30.359 -1.687 173 HB2 ALA 26 2HB ALA 26 15.647 31.050 -1.453 174 HB3 ALA 26 3HB ALA 26 16.097 29.562 -0.620 175 H GLU 27 H GLU 27 16.133 31.170 -4.374 176 HA GLU 27 HA GLU 27 13.650 32.445 -4.469 177 HB2 GLU 27 2HB GLU 27 14.464 33.422 -6.614 178 HB3 GLU 27 3HB GLU 27 15.612 33.563 -5.290 179 HG2 GLU 27 2HG GLU 27 16.789 31.564 -6.180 180 HG3 GLU 27 3HG GLU 27 15.703 31.602 -7.568 181 H GLU 28 H GLU 28 14.985 29.866 -6.494 182 HA GLU 28 HA GLU 28 12.842 29.744 -8.324 183 HB2 GLU 28 2HB GLU 28 15.222 28.683 -8.426 184 HB3 GLU 28 3HB GLU 28 14.468 27.334 -7.589 185 HG2 GLU 28 2HG GLU 28 14.259 26.678 -9.768 186 HG3 GLU 28 3HG GLU 28 12.714 27.485 -9.508 187 H MET 29 H MET 29 13.535 27.892 -5.372 188 HA MET 29 HA MET 29 11.360 26.158 -5.462 189 HB2 MET 29 2HB MET 29 13.396 26.271 -3.835 190 HB3 MET 29 3HB MET 29 12.339 27.283 -2.860 191 HG2 MET 29 2HG MET 29 10.968 25.563 -2.304 192 HG3 MET 29 3HG MET 29 11.252 24.701 -3.815 193 HE1 MET 29 1HE MET 29 12.488 25.565 -0.285 194 HE2 MET 29 2HE MET 29 11.517 24.093 -0.251 195 HE3 MET 29 3HE MET 29 13.229 24.030 0.172 196 H ALA 30 H ALA 30 11.615 29.396 -4.037 197 HA ALA 30 HA ALA 30 8.998 29.471 -2.972 198 HB1 ALA 30 1HB ALA 30 10.029 32.072 -3.751 199 HB2 ALA 30 2HB ALA 30 9.646 31.439 -2.150 200 HB3 ALA 30 3HB ALA 30 11.219 31.107 -2.876 201 H LEU 31 H LEU 31 10.354 30.499 -6.072 202 HA LEU 31 HA LEU 31 8.120 31.822 -7.095 203 HB2 LEU 31 2HB LEU 31 10.645 31.100 -8.010 204 HB3 LEU 31 3HB LEU 31 9.528 30.310 -9.122 205 HG LEU 31 HG LEU 31 10.152 32.416 -10.056 206 HD11 LEU 31 1HD1 LEU 31 7.772 31.698 -10.227 207 HD12 LEU 31 2HD1 LEU 31 8.016 33.438 -10.371 208 HD13 LEU 31 3HD1 LEU 31 7.407 32.756 -8.864 209 HD21 LEU 31 1HD2 LEU 31 9.475 33.491 -7.337 210 HD22 LEU 31 2HD2 LEU 31 9.506 34.529 -8.763 211 HD23 LEU 31 3HD2 LEU 31 10.966 33.675 -8.262 212 H ALA 32 H ALA 32 9.080 28.414 -7.460 213 HA ALA 32 HA ALA 32 6.830 27.635 -8.972 214 HB1 ALA 32 1HB ALA 32 8.878 26.314 -8.899 215 HB2 ALA 32 2HB ALA 32 8.595 25.955 -7.195 216 HB3 ALA 32 3HB ALA 32 7.483 25.346 -8.421 217 H MET 33 H MET 33 7.497 27.531 -5.490 218 HA MET 33 HA MET 33 5.237 26.166 -4.641 219 HB2 MET 33 2HB MET 33 7.223 27.935 -3.437 220 HB3 MET 33 3HB MET 33 5.650 28.054 -2.660 221 HG2 MET 33 2HG MET 33 5.685 25.537 -2.490 222 HG3 MET 33 3HG MET 33 7.375 25.620 -2.980 223 HE1 MET 33 1HE MET 33 9.403 26.292 -1.096 224 HE2 MET 33 2HE MET 33 8.740 27.714 -1.902 225 HE3 MET 33 3HE MET 33 8.976 27.720 -0.154 226 H LYS 34 H LYS 34 5.661 29.632 -5.250 227 HA LYS 34 HA LYS 34 3.036 30.366 -4.450 228 HB2 LYS 34 2HB LYS 34 4.934 31.954 -4.550 229 HB3 LYS 34 3HB LYS 34 4.934 31.818 -6.303 230 HG2 LYS 34 2HG LYS 34 2.473 32.586 -6.126 231 HG3 LYS 34 3HG LYS 34 2.935 33.130 -4.511 232 HD2 LYS 34 2HD LYS 34 4.531 33.889 -6.938 233 HD3 LYS 34 3HD LYS 34 3.106 34.808 -6.449 234 HE2 LYS 34 2HE LYS 34 5.271 34.204 -4.473 235 HE3 LYS 34 3HE LYS 34 5.453 35.538 -5.611 236 HZ1 LYS 34 1HZ LYS 34 3.743 36.704 -4.661 237 HZ2 LYS 34 2HZ LYS 34 4.383 35.937 -3.296 238 HZ3 LYS 34 3HZ LYS 34 2.985 35.329 -4.031 239 H GLY 35 H GLY 35 4.528 29.797 -7.629 240 HA2 GLY 35 2HA GLY 35 2.373 30.406 -9.257 241 HA3 GLY 35 3HA GLY 35 3.593 29.200 -9.640 242 H LEU 36 H LEU 36 3.028 27.410 -7.504 243 HA LEU 36 HA LEU 36 0.767 26.051 -8.656 244 HB2 LEU 36 2HB LEU 36 2.438 25.292 -6.266 245 HB3 LEU 36 3HB LEU 36 1.330 24.241 -7.146 246 HG LEU 36 HG LEU 36 3.584 25.458 -8.655 247 HD11 LEU 36 1HD1 LEU 36 3.908 23.718 -6.330 248 HD12 LEU 36 2HD1 LEU 36 5.092 24.703 -7.187 249 HD13 LEU 36 3HD1 LEU 36 4.667 23.105 -7.799 250 HD21 LEU 36 1HD2 LEU 36 2.392 22.691 -8.687 251 HD22 LEU 36 2HD2 LEU 36 3.465 23.410 -9.888 252 HD23 LEU 36 3HD2 LEU 36 1.824 24.027 -9.689 253 H GLY 37 H GLY 37 1.387 28.026 -5.878 254 HA2 GLY 37 2HA GLY 37 -0.039 28.903 -4.304 255 HA3 GLY 37 3HA GLY 37 -1.369 28.324 -5.297 256 H PHE 38 H PHE 38 1.015 26.073 -4.185 257 HA PHE 38 HA PHE 38 -0.800 25.164 -2.058 258 HB2 PHE 38 2HB PHE 38 -0.594 23.855 -4.442 259 HB3 PHE 38 3HB PHE 38 0.642 23.034 -3.495 260 HD1 PHE 38 HD1 PHE 38 -2.940 23.987 -3.492 261 HD2 PHE 38 HD2 PHE 38 0.061 21.402 -1.934 262 HE1 PHE 38 HE1 PHE 38 -4.681 22.620 -2.418 263 HE2 PHE 38 HE2 PHE 38 -1.675 20.030 -0.858 264 HZ PHE 38 HZ PHE 38 -4.049 20.638 -1.099 265 H GLY 39 H GLY 39 0.169 24.212 -0.269 266 HA2 GLY 39 2HA GLY 39 1.822 23.879 1.288 267 HA3 GLY 39 3HA GLY 39 2.839 23.405 -0.065 268 H ASP 40 H ASP 40 1.364 26.545 0.690 269 HA ASP 40 HA ASP 40 3.873 27.874 0.196 270 HB2 ASP 40 2HB ASP 40 1.977 29.050 -0.582 271 HB3 ASP 40 3HB ASP 40 1.113 28.827 0.937 272 H LEU 41 H LEU 41 5.406 27.802 1.705 273 HA LEU 41 HA LEU 41 4.625 27.993 4.532 274 HB2 LEU 41 2HB LEU 41 6.965 26.804 3.110 275 HB3 LEU 41 3HB LEU 41 7.142 27.326 4.784 276 HG LEU 41 HG LEU 41 6.695 24.924 4.604 277 HD11 LEU 41 1HD1 LEU 41 5.968 26.140 6.591 278 HD12 LEU 41 2HD1 LEU 41 4.862 24.821 6.209 279 HD13 LEU 41 3HD1 LEU 41 4.419 26.484 5.821 280 HD21 LEU 41 1HD2 LEU 41 4.675 24.050 3.736 281 HD22 LEU 41 2HD2 LEU 41 5.302 25.154 2.512 282 HD23 LEU 41 3HD2 LEU 41 3.972 25.657 3.556 283 HA PRO 42 HA PRO 42 6.406 31.971 5.039 284 HB2 PRO 42 2HB PRO 42 7.552 31.778 7.492 285 HB3 PRO 42 3HB PRO 42 5.802 31.850 7.252 286 HG2 PRO 42 2HG PRO 42 7.552 29.469 7.735 287 HG3 PRO 42 3HG PRO 42 5.968 29.854 8.433 288 HD2 PRO 42 2HD PRO 42 6.273 28.104 6.390 289 HD3 PRO 42 3HD PRO 42 4.828 29.118 6.570 290 H ARG 43 H ARG 43 8.449 33.156 5.453 291 HA ARG 43 HA ARG 43 10.564 32.126 3.925 292 HB2 ARG 43 2HB ARG 43 11.832 34.088 4.695 293 HB3 ARG 43 3HB ARG 43 10.205 34.521 4.189 294 HG2 ARG 43 2HG ARG 43 10.224 35.690 6.108 295 HG3 ARG 43 3HG ARG 43 9.776 34.134 6.810 296 HD2 ARG 43 2HD ARG 43 12.464 33.902 6.787 297 HD3 ARG 43 3HD ARG 43 12.300 35.646 6.990 298 HE ARG 43 HE ARG 43 10.584 34.507 8.820 299 HH11 ARG 43 1HH1 ARG 43 14.002 34.434 8.159 300 HH12 ARG 43 2HH1 ARG 43 14.448 34.171 9.813 301 HH21 ARG 43 1HH2 ARG 43 11.159 34.161 11.000 302 HH22 ARG 43 2HH2 ARG 43 12.831 34.015 11.427 303 H ASP 44 H ASP 44 10.052 32.275 7.413 304 HA ASP 44 HA ASP 44 12.583 31.497 8.277 305 HB2 ASP 44 2HB ASP 44 11.543 30.880 10.355 306 HB3 ASP 44 3HB ASP 44 10.710 32.303 9.734 307 H GLU 45 H GLU 45 9.854 29.555 7.172 308 HA GLU 45 HA GLU 45 10.987 27.039 7.842 309 HB2 GLU 45 2HB GLU 45 8.522 27.706 7.239 310 HB3 GLU 45 3HB GLU 45 9.038 27.365 5.593 311 HG2 GLU 45 2HG GLU 45 9.658 25.319 7.632 312 HG3 GLU 45 3HG GLU 45 7.962 25.529 7.197 313 H VAL 46 H VAL 46 11.215 29.147 5.065 314 HA VAL 46 HA VAL 46 12.332 27.253 3.268 315 HB VAL 46 HB VAL 46 12.590 30.263 3.254 316 HG11 VAL 46 1HG1 VAL 46 13.547 28.145 1.451 317 HG12 VAL 46 2HG1 VAL 46 12.736 29.501 0.665 318 HG13 VAL 46 3HG1 VAL 46 14.142 29.787 1.692 319 HG21 VAL 46 1HG2 VAL 46 10.450 28.404 2.430 320 HG22 VAL 46 2HG2 VAL 46 10.352 30.081 2.967 321 HG23 VAL 46 3HG2 VAL 46 10.824 29.713 1.308 322 H GLU 47 H GLU 47 13.836 29.895 5.137 323 HA GLU 47 HA GLU 47 16.488 29.230 4.477 324 HB2 GLU 47 2HB GLU 47 17.104 30.642 6.423 325 HB3 GLU 47 3HB GLU 47 15.953 31.418 5.344 326 HG2 GLU 47 2HG GLU 47 14.980 31.920 7.323 327 HG3 GLU 47 3HG GLU 47 14.213 30.360 7.031 328 H ARG 48 H ARG 48 14.407 28.255 7.156 329 HA ARG 48 HA ARG 48 16.358 26.911 8.672 330 HB2 ARG 48 2HB ARG 48 14.112 27.545 9.515 331 HB3 ARG 48 3HB ARG 48 13.402 26.305 8.490 332 HG2 ARG 48 2HG ARG 48 14.300 24.569 9.760 333 HG3 ARG 48 3HG ARG 48 15.488 25.624 10.527 334 HD2 ARG 48 2HD ARG 48 12.558 26.095 10.916 335 HD3 ARG 48 3HD ARG 48 13.399 24.870 11.866 336 HE ARG 48 HE ARG 48 13.593 27.719 12.153 337 HH11 ARG 48 1HH1 ARG 48 15.218 24.683 12.662 338 HH12 ARG 48 2HH1 ARG 48 16.219 25.284 13.942 339 HH21 ARG 48 1HH2 ARG 48 14.904 28.523 13.838 340 HH22 ARG 48 2HH2 ARG 48 16.039 27.468 14.611 341 H THR 49 H THR 49 14.082 25.719 6.218 342 HA THR 49 HA THR 49 14.829 23.017 6.336 343 HB THR 49 HB THR 49 13.926 22.925 3.956 344 HG1 THR 49 HG1 THR 49 13.230 24.754 3.043 345 HG21 THR 49 1HG2 THR 49 12.367 22.317 5.556 346 HG22 THR 49 2HG2 THR 49 11.571 23.689 4.786 347 HG23 THR 49 3HG2 THR 49 12.392 23.900 6.332 348 H VAL 50 H VAL 50 16.019 25.676 4.316 349 HA VAL 50 HA VAL 50 17.772 24.156 2.727 350 HB VAL 50 HB VAL 50 17.998 27.062 3.526 351 HG11 VAL 50 1HG1 VAL 50 20.102 26.496 2.688 352 HG12 VAL 50 2HG1 VAL 50 19.429 25.401 1.479 353 HG13 VAL 50 3HG1 VAL 50 19.250 27.145 1.286 354 HG21 VAL 50 1HG2 VAL 50 16.076 25.749 1.949 355 HG22 VAL 50 2HG2 VAL 50 16.325 27.486 2.127 356 HG23 VAL 50 3HG2 VAL 50 17.137 26.607 0.831 357 H ARG 51 H ARG 51 18.212 25.778 5.833 358 HA ARG 51 HA ARG 51 21.005 25.376 6.021 359 HB2 ARG 51 2HB ARG 51 19.480 26.944 7.395 360 HB3 ARG 51 3HB ARG 51 19.172 25.534 8.400 361 HG2 ARG 51 2HG ARG 51 21.958 25.686 8.099 362 HG3 ARG 51 3HG ARG 51 21.398 27.328 8.426 363 HD2 ARG 51 2HD ARG 51 20.240 25.163 10.079 364 HD3 ARG 51 3HD ARG 51 21.938 25.551 10.355 365 HE ARG 51 HE ARG 51 20.596 27.961 10.343 366 HH11 ARG 51 1HH1 ARG 51 20.509 25.011 12.191 367 HH12 ARG 51 2HH1 ARG 51 19.984 25.786 13.648 368 HH21 ARG 51 1HH2 ARG 51 19.905 28.993 12.256 369 HH22 ARG 51 2HH2 ARG 51 19.639 28.051 13.684 370 H SER 52 H SER 52 18.228 23.489 7.136 371 HA SER 52 HA SER 52 19.702 21.542 8.552 372 HB2 SER 52 2HB SER 52 17.075 20.956 7.208 373 HB3 SER 52 3HB SER 52 17.685 20.357 8.751 374 HG SER 52 HG SER 52 16.605 21.944 9.589 375 H MET 53 H MET 53 18.471 21.638 5.226 376 HA MET 53 HA MET 53 19.360 19.056 4.500 377 HB2 MET 53 2HB MET 53 18.708 21.503 2.859 378 HB3 MET 53 3HB MET 53 19.139 19.956 2.141 379 HG2 MET 53 2HG MET 53 17.169 18.974 2.724 380 HG3 MET 53 3HG MET 53 16.948 20.001 4.139 381 HE1 MET 53 1HE MET 53 14.498 19.769 3.345 382 HE2 MET 53 2HE MET 53 13.759 20.795 2.114 383 HE3 MET 53 3HE MET 53 14.578 19.304 1.645 384 H ASN 54 H ASN 54 20.672 22.178 3.374 385 HA ASN 54 HA ASN 54 23.226 20.903 2.832 386 HB2 ASN 54 2HB ASN 54 21.911 22.769 1.444 387 HB3 ASN 54 3HB ASN 54 22.855 23.836 2.480 388 HD21 ASN 54 1HD2 ASN 54 23.934 24.570 0.601 389 HD22 ASN 54 2HD2 ASN 54 25.198 23.634 -0.115 390 H THR 55 H THR 55 24.286 20.527 4.716 391 HA THR 55 HA THR 55 24.291 22.043 7.023 392 HB THR 55 HB THR 55 25.271 19.815 6.956 393 HG1 THR 55 HG1 THR 55 26.105 20.870 8.660 394 HG21 THR 55 1HG2 THR 55 26.527 20.636 4.666 395 HG22 THR 55 2HG2 THR 55 26.916 19.170 5.566 396 HG23 THR 55 3HG2 THR 55 27.848 20.643 5.833 397 H ASN 56 H ASN 56 26.089 22.523 4.062 398 HA ASN 56 HA ASN 56 27.377 24.887 5.258 399 HB2 ASN 56 2HB ASN 56 28.246 23.119 2.968 400 HB3 ASN 56 3HB ASN 56 28.992 24.676 3.316 401 HD21 ASN 56 1HD2 ASN 56 29.837 24.943 5.541 402 HD22 ASN 56 2HD2 ASN 56 30.587 23.577 6.285 403 H ALA 57 H ALA 57 25.989 26.521 4.848 404 HA ALA 57 HA ALA 57 24.363 26.775 2.572 405 HB1 ALA 57 1HB ALA 57 23.596 28.658 3.542 406 HB2 ALA 57 2HB ALA 57 24.499 28.062 4.936 407 HB3 ALA 57 3HB ALA 57 25.215 29.274 3.874 408 H ASN 58 H ASN 58 25.372 26.614 0.625 409 HA ASN 58 HA ASN 58 27.427 28.641 0.028 410 HB2 ASN 58 2HB ASN 58 27.747 25.906 -0.107 411 HB3 ASN 58 3HB ASN 58 27.356 26.330 -1.771 412 HD21 ASN 58 1HD2 ASN 58 29.793 26.019 0.441 413 HD22 ASN 58 2HD2 ASN 58 31.011 26.953 -0.354 414 H GLY 59 H GLY 59 24.328 28.300 -0.298 415 HA2 GLY 59 2HA GLY 59 22.830 29.315 -1.733 416 HA3 GLY 59 3HA GLY 59 24.188 29.813 -2.730 417 H LEU 60 H LEU 60 23.930 26.469 -1.954 418 HA LEU 60 HA LEU 60 22.613 25.886 -4.506 419 HB2 LEU 60 2HB LEU 60 25.383 25.223 -3.716 420 HB3 LEU 60 3HB LEU 60 24.466 23.945 -4.511 421 HG LEU 60 HG LEU 60 23.999 25.817 -6.292 422 HD11 LEU 60 1HD1 LEU 60 25.973 27.034 -4.554 423 HD12 LEU 60 2HD1 LEU 60 25.005 27.749 -5.842 424 HD13 LEU 60 3HD1 LEU 60 26.523 26.938 -6.227 425 HD21 LEU 60 1HD2 LEU 60 26.466 24.154 -5.930 426 HD22 LEU 60 2HD2 LEU 60 26.249 25.164 -7.360 427 HD23 LEU 60 3HD2 LEU 60 25.088 23.885 -6.999 428 H ILE 61 H ILE 61 21.336 24.097 -4.497 429 HA ILE 61 HA ILE 61 21.281 22.522 -2.004 430 HB ILE 61 HB ILE 61 18.922 23.162 -3.778 431 HG12 ILE 61 2HG1 ILE 61 19.652 24.262 -1.055 432 HG13 ILE 61 3HG1 ILE 61 19.745 25.149 -2.572 433 HG21 ILE 61 1HG2 ILE 61 19.336 21.137 -1.852 434 HG22 ILE 61 2HG2 ILE 61 18.223 22.310 -1.151 435 HG23 ILE 61 3HG2 ILE 61 17.845 21.551 -2.697 436 HD11 ILE 61 1HD1 ILE 61 17.188 24.437 -2.683 437 HD12 ILE 61 2HD1 ILE 61 17.397 24.432 -0.931 438 HD13 ILE 61 3HD1 ILE 61 17.738 25.895 -1.856 439 H GLU 62 H GLU 62 21.511 20.386 -2.192 440 HA GLU 62 HA GLU 62 21.780 19.243 -4.849 441 HB2 GLU 62 2HB GLU 62 22.161 17.850 -2.199 442 HB3 GLU 62 3HB GLU 62 22.769 17.347 -3.770 443 HG2 GLU 62 2HG GLU 62 24.021 19.630 -3.705 444 HG3 GLU 62 3HG GLU 62 23.741 19.512 -1.969 445 H TYR 63 H TYR 63 20.509 17.654 -5.712 446 HA TYR 63 HA TYR 63 17.810 17.530 -4.888 447 HB2 TYR 63 2HB TYR 63 17.530 15.887 -6.668 448 HB3 TYR 63 3HB TYR 63 18.528 17.224 -7.229 449 HD1 TYR 63 HD1 TYR 63 20.902 16.904 -7.678 450 HD2 TYR 63 HD2 TYR 63 18.463 13.670 -6.376 451 HE1 TYR 63 HE1 TYR 63 22.652 15.317 -8.362 452 HE2 TYR 63 HE2 TYR 63 20.207 12.074 -7.055 453 HH TYR 63 HH TYR 63 22.406 12.498 -9.062 454 H GLY 64 H GLY 64 20.566 15.388 -4.413 455 HA2 GLY 64 2HA GLY 64 19.162 13.167 -3.396 456 HA3 GLY 64 3HA GLY 64 20.852 13.536 -3.088 457 H GLU 65 H GLU 65 20.812 15.808 -1.661 458 HA GLU 65 HA GLU 65 20.021 14.919 0.908 459 HB2 GLU 65 2HB GLU 65 20.961 17.615 -0.075 460 HB3 GLU 65 3HB GLU 65 20.677 17.243 1.619 461 HG2 GLU 65 2HG GLU 65 22.743 16.063 -0.211 462 HG3 GLU 65 3HG GLU 65 22.996 17.023 1.246 463 H PHE 66 H PHE 66 18.531 16.962 -1.492 464 HA PHE 66 HA PHE 66 16.620 18.216 0.163 465 HB2 PHE 66 2HB PHE 66 17.111 19.072 -2.059 466 HB3 PHE 66 3HB PHE 66 16.530 17.580 -2.793 467 HD1 PHE 66 HD1 PHE 66 14.250 17.262 -3.261 468 HD2 PHE 66 HD2 PHE 66 15.489 20.560 -0.871 469 HE1 PHE 66 HE1 PHE 66 11.987 18.217 -3.411 470 HE2 PHE 66 HE2 PHE 66 13.228 21.519 -1.016 471 HZ PHE 66 HZ PHE 66 11.473 20.347 -2.287 472 H GLU 67 H GLU 67 16.254 15.441 -2.050 473 HA GLU 67 HA GLU 67 13.638 14.794 -1.216 474 HB2 GLU 67 2HB GLU 67 13.974 12.685 -2.399 475 HB3 GLU 67 3HB GLU 67 14.577 14.034 -3.351 476 HG2 GLU 67 2HG GLU 67 16.866 13.486 -2.417 477 HG3 GLU 67 3HG GLU 67 16.154 11.984 -1.831 478 H ARG 68 H ARG 68 16.817 13.729 -0.135 479 HA ARG 68 HA ARG 68 16.007 11.605 1.504 480 HB2 ARG 68 2HB ARG 68 18.343 11.973 0.884 481 HB3 ARG 68 3HB ARG 68 18.370 13.465 1.814 482 HG2 ARG 68 2HG ARG 68 18.454 12.377 3.823 483 HG3 ARG 68 3HG ARG 68 17.642 10.938 3.201 484 HD2 ARG 68 2HD ARG 68 20.174 11.419 1.875 485 HD3 ARG 68 3HD ARG 68 20.366 11.260 3.620 486 HE ARG 68 HE ARG 68 18.709 9.201 2.593 487 HH11 ARG 68 1HH1 ARG 68 22.031 10.221 2.807 488 HH12 ARG 68 2HH1 ARG 68 22.668 8.613 2.705 489 HH21 ARG 68 1HH2 ARG 68 19.535 7.079 2.458 490 HH22 ARG 68 2HH2 ARG 68 21.247 6.826 2.506 491 H MET 69 H MET 69 16.449 15.050 2.229 492 HA MET 69 HA MET 69 15.832 14.851 4.982 493 HB2 MET 69 2HB MET 69 17.031 16.770 4.084 494 HB3 MET 69 3HB MET 69 15.641 17.209 3.100 495 HG2 MET 69 2HG MET 69 15.610 18.662 4.938 496 HG3 MET 69 3HG MET 69 14.354 17.466 5.253 497 HE1 MET 69 1HE MET 69 14.836 15.341 7.246 498 HE2 MET 69 2HE MET 69 15.006 16.404 8.643 499 HE3 MET 69 3HE MET 69 13.913 16.842 7.330 500 H VAL 70 H VAL 70 13.868 15.868 2.191 501 HA VAL 70 HA VAL 70 11.494 16.414 3.496 502 HB VAL 70 HB VAL 70 11.804 15.138 0.775 503 HG11 VAL 70 1HG1 VAL 70 9.497 16.606 2.041 504 HG12 VAL 70 2HG1 VAL 70 9.607 16.218 0.323 505 HG13 VAL 70 3HG1 VAL 70 9.534 14.923 1.518 506 HG21 VAL 70 1HG2 VAL 70 12.489 17.104 -0.012 507 HG22 VAL 70 2HG2 VAL 70 11.192 17.963 0.819 508 HG23 VAL 70 3HG2 VAL 70 12.702 17.617 1.661 509 H LYS 71 H LYS 71 12.668 13.299 2.270 510 HA LYS 71 HA LYS 71 10.390 11.785 2.900 511 HB2 LYS 71 2HB LYS 71 12.233 11.023 1.420 512 HB3 LYS 71 3HB LYS 71 13.267 10.857 2.833 513 HG2 LYS 71 2HG LYS 71 10.728 9.434 3.063 514 HG3 LYS 71 3HG LYS 71 11.750 8.874 1.738 515 HD2 LYS 71 2HD LYS 71 12.689 9.206 4.585 516 HD3 LYS 71 3HD LYS 71 12.131 7.680 3.894 517 HE2 LYS 71 2HE LYS 71 13.922 8.234 2.053 518 HE3 LYS 71 3HE LYS 71 14.614 9.233 3.330 519 HZ1 LYS 71 1HZ LYS 71 14.811 6.456 2.991 520 HZ2 LYS 71 2HZ LYS 71 13.984 6.751 4.436 521 HZ3 LYS 71 3HZ LYS 71 15.517 7.421 4.188 522 H SER 72 H SER 72 13.046 12.911 4.849 523 HA SER 72 HA SER 72 12.586 11.141 7.048 524 HB2 SER 72 2HB SER 72 14.556 13.029 6.323 525 HB3 SER 72 3HB SER 72 13.882 13.582 7.856 526 HG SER 72 HG SER 72 15.033 11.058 7.275 527 H ARG 73 H ARG 73 11.956 14.616 6.556 528 HA ARG 73 HA ARG 73 10.584 15.055 8.949 529 HB2 ARG 73 2HB ARG 73 9.600 17.031 7.773 530 HB3 ARG 73 3HB ARG 73 11.352 16.922 7.656 531 HG2 ARG 73 2HG ARG 73 11.099 15.939 5.402 532 HG3 ARG 73 3HG ARG 73 9.356 16.187 5.527 533 HD2 ARG 73 2HD ARG 73 10.200 18.657 6.134 534 HD3 ARG 73 3HD ARG 73 11.535 18.142 5.104 535 HE ARG 73 HE ARG 73 9.173 17.509 3.780 536 HH11 ARG 73 1HH1 ARG 73 10.864 20.346 4.882 537 HH12 ARG 73 2HH1 ARG 73 10.232 21.367 3.633 538 HH21 ARG 73 1HH2 ARG 73 8.335 18.843 2.131 539 HH22 ARG 73 2HH2 ARG 73 8.793 20.512 2.069 540 H MET 74 H MET 74 9.389 14.076 5.761 541 HA MET 74 HA MET 74 6.642 14.086 6.513 542 HB2 MET 74 2HB MET 74 8.054 12.717 4.218 543 HB3 MET 74 3HB MET 74 6.308 12.830 4.393 544 HG2 MET 74 2HG MET 74 8.182 15.171 4.139 545 HG3 MET 74 3HG MET 74 7.220 14.486 2.831 546 HE1 MET 74 1HE MET 74 4.535 14.367 2.931 547 HE2 MET 74 2HE MET 74 4.540 13.755 4.585 548 HE3 MET 74 3HE MET 74 3.568 15.167 4.171 549 H ALA 75 H ALA 75 9.213 11.721 6.615 550 HA ALA 75 HA ALA 75 7.789 9.360 6.864 551 HB1 ALA 75 1HB ALA 75 9.921 8.716 6.887 552 HB2 ALA 75 2HB ALA 75 10.467 10.278 7.498 553 HB3 ALA 75 3HB ALA 75 9.898 9.042 8.620 554 H GLN 76 H GLN 76 8.438 11.844 9.270 555 HA GLN 76 HA GLN 76 7.471 10.360 11.497 556 HB2 GLN 76 2HB GLN 76 8.959 12.195 11.901 557 HB3 GLN 76 3HB GLN 76 7.897 13.316 11.059 558 HG2 GLN 76 2HG GLN 76 7.884 13.439 13.573 559 HG3 GLN 76 3HG GLN 76 6.312 13.281 12.792 560 HE21 GLN 76 1HE2 GLN 76 8.803 10.885 13.558 561 HE22 GLN 76 2HE2 GLN 76 7.786 9.882 14.531 562 H LYS 77 H LYS 77 6.023 12.758 9.332 563 HA LYS 77 HA LYS 77 3.498 12.756 10.684 564 HB2 LYS 77 2HB LYS 77 4.590 13.965 8.185 565 HB3 LYS 77 3HB LYS 77 2.843 13.839 8.350 566 HG2 LYS 77 2HG LYS 77 3.426 15.983 9.124 567 HG3 LYS 77 3HG LYS 77 3.087 15.020 10.565 568 HD2 LYS 77 2HD LYS 77 5.139 15.378 11.349 569 HD3 LYS 77 3HD LYS 77 5.861 14.789 9.850 570 HE2 LYS 77 2HE LYS 77 4.691 17.531 9.921 571 HE3 LYS 77 3HE LYS 77 6.264 17.252 10.667 572 HZ1 LYS 77 1HZ LYS 77 6.681 17.892 8.458 573 HZ2 LYS 77 2HZ LYS 77 5.501 16.854 7.833 574 HZ3 LYS 77 3HZ LYS 77 6.925 16.218 8.488 575 H ASP 78 H ASP 78 1.507 11.948 9.867 576 HA ASP 78 HA ASP 78 1.710 9.877 7.800 577 HB2 ASP 78 2HB ASP 78 1.453 9.352 10.576 578 HB3 ASP 78 3HB ASP 78 -0.100 8.981 9.831 579 H SER 79 H SER 79 -0.664 8.972 7.446 580 HA SER 79 HA SER 79 -2.151 11.032 6.303 581 HB2 SER 79 2HB SER 79 -3.742 8.690 7.081 582 HB3 SER 79 3HB SER 79 -3.429 9.360 5.480 583 HG SER 79 HG SER 79 -2.504 7.175 6.176 584 HA PRO 80 HA PRO 80 -4.628 12.779 9.473 585 HB2 PRO 80 2HB PRO 80 -7.022 13.104 8.235 586 HB3 PRO 80 3HB PRO 80 -5.604 14.089 7.857 587 HG2 PRO 80 2HG PRO 80 -6.700 11.712 6.405 588 HG3 PRO 80 3HG PRO 80 -6.079 13.237 5.747 589 HD2 PRO 80 2HD PRO 80 -4.607 10.965 5.798 590 HD3 PRO 80 3HD PRO 80 -3.881 12.577 5.955 591 H GLU 81 H GLU 81 -6.256 10.136 7.736 592 HA GLU 81 HA GLU 81 -8.084 9.572 9.850 593 HB2 GLU 81 2HB GLU 81 -7.428 8.448 7.214 594 HB3 GLU 81 3HB GLU 81 -7.981 7.261 8.387 595 HG2 GLU 81 2HG GLU 81 -10.088 8.025 8.365 596 HG3 GLU 81 3HG GLU 81 -9.586 9.712 8.263 597 H GLU 82 H GLU 82 -4.956 8.278 8.868 598 HA GLU 82 HA GLU 82 -4.870 6.032 10.525 599 HB2 GLU 82 2HB GLU 82 -2.976 7.608 8.977 600 HB3 GLU 82 3HB GLU 82 -2.255 6.975 10.450 601 HG2 GLU 82 2HG GLU 82 -3.747 4.884 9.271 602 HG3 GLU 82 3HG GLU 82 -2.782 5.637 8.002 603 H VAL 83 H VAL 83 -3.703 9.337 11.144 604 HA VAL 83 HA VAL 83 -2.773 8.881 13.752 605 HB VAL 83 HB VAL 83 -3.862 11.459 12.612 606 HG11 VAL 83 1HG1 VAL 83 -2.364 10.771 15.097 607 HG12 VAL 83 2HG1 VAL 83 -2.065 12.324 14.313 608 HG13 VAL 83 3HG1 VAL 83 -3.690 11.908 14.859 609 HG21 VAL 83 1HG2 VAL 83 -1.001 11.312 12.746 610 HG22 VAL 83 2HG2 VAL 83 -1.628 9.955 11.810 611 HG23 VAL 83 3HG2 VAL 83 -2.038 11.608 11.350 612 H LEU 84 H LEU 84 -5.949 9.815 12.531 613 HA LEU 84 HA LEU 84 -7.157 10.416 14.991 614 HB2 LEU 84 2HB LEU 84 -8.201 9.520 12.332 615 HB3 LEU 84 3HB LEU 84 -9.288 9.701 13.708 616 HG LEU 84 HG LEU 84 -7.545 11.939 12.700 617 HD11 LEU 84 1HD1 LEU 84 -9.815 10.774 11.425 618 HD12 LEU 84 2HD1 LEU 84 -8.867 12.179 10.939 619 HD13 LEU 84 3HD1 LEU 84 -10.246 12.377 12.020 620 HD21 LEU 84 1HD2 LEU 84 -8.688 11.813 15.059 621 HD22 LEU 84 2HD2 LEU 84 -10.131 12.254 14.147 622 HD23 LEU 84 3HD2 LEU 84 -8.715 13.306 14.121 623 H LYS 85 H LYS 85 -7.082 7.381 13.139 624 HA LYS 85 HA LYS 85 -8.589 5.860 14.966 625 HB2 LYS 85 2HB LYS 85 -8.280 5.060 12.723 626 HB3 LYS 85 3HB LYS 85 -6.531 5.050 12.909 627 HG2 LYS 85 2HG LYS 85 -8.026 3.396 14.831 628 HG3 LYS 85 3HG LYS 85 -8.084 2.869 13.148 629 HD2 LYS 85 2HD LYS 85 -5.454 3.622 14.333 630 HD3 LYS 85 3HD LYS 85 -6.165 2.062 14.756 631 HE2 LYS 85 2HE LYS 85 -6.396 2.435 11.942 632 HE3 LYS 85 3HE LYS 85 -4.732 2.776 12.416 633 HZ1 LYS 85 1HZ LYS 85 -4.663 0.526 12.095 634 HZ2 LYS 85 2HZ LYS 85 -6.247 0.271 12.631 635 HZ3 LYS 85 3HZ LYS 85 -5.015 0.577 13.749 636 H ALA 86 H ALA 86 -5.120 6.458 14.682 637 HA ALA 86 HA ALA 86 -4.234 4.616 16.599 638 HB1 ALA 86 1HB ALA 86 -2.192 5.922 16.683 639 HB2 ALA 86 2HB ALA 86 -2.748 5.767 15.016 640 HB3 ALA 86 3HB ALA 86 -3.001 7.276 15.893 641 H PHE 87 H PHE 87 -5.151 8.031 16.933 642 HA PHE 87 HA PHE 87 -4.603 8.213 19.698 643 HB2 PHE 87 2HB PHE 87 -5.046 10.079 17.911 644 HB3 PHE 87 3HB PHE 87 -6.726 9.878 18.395 645 HD1 PHE 87 HD1 PHE 87 -3.345 10.454 19.842 646 HD2 PHE 87 HD2 PHE 87 -7.541 11.084 20.184 647 HE1 PHE 87 HE1 PHE 87 -2.962 11.939 21.766 648 HE2 PHE 87 HE2 PHE 87 -7.164 12.570 22.108 649 HZ PHE 87 HZ PHE 87 -4.873 13.001 22.901 650 H GLN 88 H GLN 88 -7.610 7.609 17.909 651 HA GLN 88 HA GLN 88 -9.365 7.498 20.059 652 HB2 GLN 88 2HB GLN 88 -9.442 6.894 17.290 653 HB3 GLN 88 3HB GLN 88 -10.102 5.504 18.142 654 HG2 GLN 88 2HG GLN 88 -11.333 7.584 19.408 655 HG3 GLN 88 3HG GLN 88 -11.214 8.173 17.751 656 HE21 GLN 88 1HE2 GLN 88 -12.969 6.299 19.890 657 HE22 GLN 88 2HE2 GLN 88 -13.974 5.473 18.753 658 H LEU 89 H LEU 89 -7.443 4.893 18.602 659 HA LEU 89 HA LEU 89 -8.387 2.836 20.287 660 HB2 LEU 89 2HB LEU 89 -7.277 2.344 18.202 661 HB3 LEU 89 3HB LEU 89 -5.796 3.112 18.771 662 HG LEU 89 HG LEU 89 -5.604 1.326 20.494 663 HD11 LEU 89 1HD1 LEU 89 -7.818 -0.010 18.948 664 HD12 LEU 89 2HD1 LEU 89 -8.017 0.745 20.529 665 HD13 LEU 89 3HD1 LEU 89 -6.955 -0.650 20.346 666 HD21 LEU 89 1HD2 LEU 89 -5.434 0.921 17.575 667 HD22 LEU 89 2HD2 LEU 89 -5.338 -0.531 18.572 668 HD23 LEU 89 3HD2 LEU 89 -4.189 0.786 18.817 669 H PHE 90 H PHE 90 -5.508 4.908 20.470 670 HA PHE 90 HA PHE 90 -4.416 3.768 22.793 671 HB2 PHE 90 2HB PHE 90 -3.977 6.163 21.175 672 HB3 PHE 90 3HB PHE 90 -3.648 6.423 22.885 673 HD1 PHE 90 HD1 PHE 90 -2.338 4.269 23.947 674 HD2 PHE 90 HD2 PHE 90 -2.150 5.624 19.917 675 HE1 PHE 90 HE1 PHE 90 -0.142 3.190 23.690 676 HE2 PHE 90 HE2 PHE 90 0.045 4.546 19.653 677 HZ PHE 90 HZ PHE 90 1.052 3.326 21.541 678 H ASP 91 H ASP 91 -6.903 6.179 22.312 679 HA ASP 91 HA ASP 91 -7.713 5.930 25.073 680 HB2 ASP 91 2HB ASP 91 -7.760 8.515 25.264 681 HB3 ASP 91 3HB ASP 91 -6.233 7.677 25.529 682 H LEU 92 H LEU 92 -9.838 5.696 24.998 683 HA LEU 92 HA LEU 92 -11.415 6.155 22.739 684 HB2 LEU 92 2HB LEU 92 -13.341 5.970 24.386 685 HB3 LEU 92 3HB LEU 92 -12.232 4.604 24.280 686 HG LEU 92 HG LEU 92 -11.357 6.387 26.346 687 HD11 LEU 92 1HD1 LEU 92 -13.537 7.204 26.654 688 HD12 LEU 92 2HD1 LEU 92 -13.344 5.933 27.862 689 HD13 LEU 92 3HD1 LEU 92 -14.260 5.617 26.389 690 HD21 LEU 92 1HD2 LEU 92 -12.255 3.542 26.112 691 HD22 LEU 92 2HD2 LEU 92 -11.929 4.251 27.694 692 HD23 LEU 92 3HD2 LEU 92 -10.653 4.183 26.477 693 H ASP 93 H ASP 93 -10.725 8.189 25.521 694 HA ASP 93 HA ASP 93 -12.456 10.290 24.421 695 HB2 ASP 93 2HB ASP 93 -11.636 9.514 27.121 696 HB3 ASP 93 3HB ASP 93 -11.490 11.244 26.824 697 H LYS 94 H LYS 94 -11.526 12.579 24.884 698 HA LYS 94 HA LYS 94 -8.689 12.623 24.087 699 HB2 LYS 94 2HB LYS 94 -9.296 14.723 22.795 700 HB3 LYS 94 3HB LYS 94 -9.882 13.205 22.127 701 HG2 LYS 94 2HG LYS 94 -11.780 14.425 23.957 702 HG3 LYS 94 3HG LYS 94 -11.377 15.465 22.589 703 HD2 LYS 94 2HD LYS 94 -12.544 14.196 21.170 704 HD3 LYS 94 3HD LYS 94 -11.799 12.713 21.774 705 HE2 LYS 94 2HE LYS 94 -13.423 13.240 23.829 706 HE3 LYS 94 3HE LYS 94 -14.344 14.021 22.545 707 HZ1 LYS 94 1HZ LYS 94 -15.109 12.030 22.005 708 HZ2 LYS 94 2HZ LYS 94 -14.099 11.267 23.126 709 HZ3 LYS 94 3HZ LYS 94 -13.547 11.563 21.555 710 H LYS 95 H LYS 95 -8.225 12.897 26.355 711 HA LYS 95 HA LYS 95 -9.206 15.160 27.796 712 HB2 LYS 95 2HB LYS 95 -7.450 14.560 29.448 713 HB3 LYS 95 3HB LYS 95 -8.484 13.206 29.015 714 HG2 LYS 95 2HG LYS 95 -6.274 13.204 27.243 715 HG3 LYS 95 3HG LYS 95 -5.658 13.397 28.886 716 HD2 LYS 95 2HD LYS 95 -7.692 11.301 28.171 717 HD3 LYS 95 3HD LYS 95 -5.956 11.014 28.027 718 HE2 LYS 95 2HE LYS 95 -5.972 11.943 30.507 719 HE3 LYS 95 3HE LYS 95 -7.638 11.368 30.455 720 HZ1 LYS 95 1HZ LYS 95 -5.604 9.535 29.468 721 HZ2 LYS 95 2HZ LYS 95 -6.991 9.222 30.384 722 HZ3 LYS 95 3HZ LYS 95 -5.600 9.825 31.135 723 H GLY 96 H GLY 96 -6.424 14.518 25.771 724 HA2 GLY 96 2HA GLY 96 -5.009 16.026 24.738 725 HA3 GLY 96 3HA GLY 96 -5.899 17.330 25.510 726 H LYS 97 H LYS 97 -4.808 14.905 27.639 727 HA LYS 97 HA LYS 97 -2.577 16.639 28.476 728 HB2 LYS 97 2HB LYS 97 -4.405 14.887 30.122 729 HB3 LYS 97 3HB LYS 97 -2.945 15.634 30.757 730 HG2 LYS 97 2HG LYS 97 -3.867 17.848 30.227 731 HG3 LYS 97 3HG LYS 97 -5.345 17.077 29.647 732 HD2 LYS 97 2HD LYS 97 -5.094 15.958 32.111 733 HD3 LYS 97 3HD LYS 97 -4.415 17.563 32.392 734 HE2 LYS 97 2HE LYS 97 -6.553 18.346 31.088 735 HE3 LYS 97 3HE LYS 97 -7.179 16.777 31.591 736 HZ1 LYS 97 1HZ LYS 97 -6.980 19.132 33.097 737 HZ2 LYS 97 2HZ LYS 97 -5.972 17.974 33.807 738 HZ3 LYS 97 3HZ LYS 97 -7.613 17.636 33.568 739 H ILE 98 H ILE 98 -0.857 15.690 27.493 740 HA ILE 98 HA ILE 98 -0.188 12.983 28.389 741 HB ILE 98 HB ILE 98 0.168 13.869 25.525 742 HG12 ILE 98 2HG1 ILE 98 -1.538 11.791 25.363 743 HG13 ILE 98 3HG1 ILE 98 -2.043 12.456 26.913 744 HG21 ILE 98 1HG2 ILE 98 1.609 12.186 25.409 745 HG22 ILE 98 2HG2 ILE 98 1.294 11.754 27.089 746 HG23 ILE 98 3HG2 ILE 98 0.297 11.075 25.803 747 HD11 ILE 98 1HD1 ILE 98 -2.458 14.608 25.869 748 HD12 ILE 98 2HD1 ILE 98 -1.912 13.971 24.317 749 HD13 ILE 98 3HD1 ILE 98 -3.372 13.330 25.070 750 H SER 99 H SER 99 1.840 12.828 29.107 751 HA SER 99 HA SER 99 3.522 15.105 29.221 752 HB2 SER 99 2HB SER 99 3.891 12.211 29.966 753 HB3 SER 99 3HB SER 99 5.217 13.365 30.097 754 HG SER 99 HG SER 99 2.921 13.116 31.620 755 H PHE 100 H PHE 100 5.167 15.750 27.963 756 HA PHE 100 HA PHE 100 5.454 14.896 25.348 757 HB2 PHE 100 2HB PHE 100 7.500 16.220 25.279 758 HB3 PHE 100 3HB PHE 100 6.263 17.070 26.198 759 HD1 PHE 100 HD1 PHE 100 9.505 15.436 26.315 760 HD2 PHE 100 HD2 PHE 100 6.441 17.273 28.629 761 HE1 PHE 100 HE1 PHE 100 11.064 15.644 28.207 762 HE2 PHE 100 HE2 PHE 100 7.996 17.485 30.525 763 HZ PHE 100 HZ PHE 100 10.310 16.670 30.315 764 H ALA 101 H ALA 101 7.125 13.817 28.243 765 HA ALA 101 HA ALA 101 9.169 12.331 27.021 766 HB1 ALA 101 1HB ALA 101 9.426 11.220 29.147 767 HB2 ALA 101 2HB ALA 101 9.117 12.936 29.416 768 HB3 ALA 101 3HB ALA 101 7.827 11.758 29.659 769 H ASN 102 H ASN 102 5.954 11.321 28.167 770 HA ASN 102 HA ASN 102 6.135 8.622 27.515 771 HB2 ASN 102 2HB ASN 102 4.005 10.517 28.152 772 HB3 ASN 102 3HB ASN 102 3.478 9.248 27.049 773 HD21 ASN 102 1HD2 ASN 102 4.543 10.012 30.238 774 HD22 ASN 102 2HD2 ASN 102 4.243 8.462 30.940 775 H LEU 103 H LEU 103 4.867 11.309 25.557 776 HA LEU 103 HA LEU 103 4.177 9.826 23.296 777 HB2 LEU 103 2HB LEU 103 3.387 12.040 23.456 778 HB3 LEU 103 3HB LEU 103 5.013 12.686 23.665 779 HG LEU 103 HG LEU 103 5.491 12.057 21.297 780 HD11 LEU 103 1HD1 LEU 103 4.072 10.862 20.080 781 HD12 LEU 103 2HD1 LEU 103 2.736 11.947 20.463 782 HD13 LEU 103 3HD1 LEU 103 3.122 10.609 21.545 783 HD21 LEU 103 1HD2 LEU 103 4.301 13.931 20.338 784 HD22 LEU 103 2HD2 LEU 103 4.838 14.339 21.968 785 HD23 LEU 103 3HD2 LEU 103 3.149 13.921 21.675 786 H LYS 104 H LYS 104 7.230 11.408 24.151 787 HA LYS 104 HA LYS 104 8.620 10.951 21.780 788 HB2 LYS 104 2HB LYS 104 9.247 12.246 24.003 789 HB3 LYS 104 3HB LYS 104 10.057 10.733 24.388 790 HG2 LYS 104 2HG LYS 104 10.632 11.693 21.698 791 HG3 LYS 104 3HG LYS 104 11.132 12.811 22.969 792 HD2 LYS 104 2HD LYS 104 11.810 9.879 23.014 793 HD3 LYS 104 3HD LYS 104 12.846 11.088 22.253 794 HE2 LYS 104 2HE LYS 104 11.930 11.512 25.060 795 HE3 LYS 104 3HE LYS 104 13.228 10.361 24.746 796 HZ1 LYS 104 1HZ LYS 104 14.464 12.118 23.634 797 HZ2 LYS 104 2HZ LYS 104 14.103 12.554 25.228 798 HZ3 LYS 104 3HZ LYS 104 13.221 13.222 23.949 799 H GLU 105 H GLU 105 8.491 8.943 24.718 800 HA GLU 105 HA GLU 105 10.147 6.883 23.833 801 HB2 GLU 105 2HB GLU 105 9.473 7.071 26.158 802 HB3 GLU 105 3HB GLU 105 7.794 6.778 25.726 803 HG2 GLU 105 2HG GLU 105 8.456 4.524 24.920 804 HG3 GLU 105 3HG GLU 105 10.078 4.831 25.537 805 H VAL 106 H VAL 106 6.614 7.194 23.602 806 HA VAL 106 HA VAL 106 6.070 4.755 22.376 807 HB VAL 106 HB VAL 106 4.635 7.381 21.953 808 HG11 VAL 106 1HG1 VAL 106 3.587 6.186 20.361 809 HG12 VAL 106 2HG1 VAL 106 4.142 4.641 21.008 810 HG13 VAL 106 3HG1 VAL 106 2.749 5.451 21.726 811 HG21 VAL 106 1HG2 VAL 106 3.392 5.426 23.706 812 HG22 VAL 106 2HG2 VAL 106 4.961 5.966 24.303 813 HG23 VAL 106 3HG2 VAL 106 3.693 7.144 23.963 814 H ALA 107 H ALA 107 7.028 7.848 20.961 815 HA ALA 107 HA ALA 107 6.699 7.100 18.257 816 HB1 ALA 107 1HB ALA 107 7.039 9.443 19.325 817 HB2 ALA 107 2HB ALA 107 8.755 9.094 19.109 818 HB3 ALA 107 3HB ALA 107 7.678 9.120 17.713 819 H LYS 108 H LYS 108 9.549 7.110 20.382 820 HA LYS 108 HA LYS 108 11.383 6.166 18.467 821 HB2 LYS 108 2HB LYS 108 11.348 6.073 21.479 822 HB3 LYS 108 3HB LYS 108 12.683 5.416 20.541 823 HG2 LYS 108 2HG LYS 108 11.730 8.270 20.430 824 HG3 LYS 108 3HG LYS 108 13.119 7.692 21.353 825 HD2 LYS 108 2HD LYS 108 13.912 6.747 19.064 826 HD3 LYS 108 3HD LYS 108 12.768 7.909 18.388 827 HE2 LYS 108 2HE LYS 108 14.231 9.554 18.680 828 HE3 LYS 108 3HE LYS 108 14.313 9.204 20.406 829 HZ1 LYS 108 1HZ LYS 108 15.881 7.705 18.388 830 HZ2 LYS 108 2HZ LYS 108 16.084 7.706 20.067 831 HZ3 LYS 108 3HZ LYS 108 16.472 9.085 19.168 832 H LEU 109 H LEU 109 9.121 4.523 20.575 833 HA LEU 109 HA LEU 109 10.156 1.920 20.369 834 HB2 LEU 109 2HB LEU 109 8.509 2.477 22.031 835 HB3 LEU 109 3HB LEU 109 7.335 2.895 20.784 836 HG LEU 109 HG LEU 109 7.288 0.515 20.093 837 HD11 LEU 109 1HD1 LEU 109 8.598 -0.295 22.622 838 HD12 LEU 109 2HD1 LEU 109 9.641 0.222 21.298 839 HD13 LEU 109 3HD1 LEU 109 8.522 -1.121 21.065 840 HD21 LEU 109 1HD2 LEU 109 6.697 0.756 23.029 841 HD22 LEU 109 2HD2 LEU 109 5.838 -0.181 21.806 842 HD23 LEU 109 3HD2 LEU 109 5.733 1.580 21.803 843 H LEU 110 H LEU 110 8.159 3.820 18.225 844 HA LEU 110 HA LEU 110 7.252 1.701 16.580 845 HB2 LEU 110 2HB LEU 110 7.609 4.640 16.026 846 HB3 LEU 110 3HB LEU 110 6.831 3.514 14.915 847 HG LEU 110 HG LEU 110 5.793 3.851 17.705 848 HD11 LEU 110 1HD1 LEU 110 4.893 5.855 17.332 849 HD12 LEU 110 2HD1 LEU 110 4.413 5.430 15.690 850 HD13 LEU 110 3HD1 LEU 110 6.050 6.003 16.009 851 HD21 LEU 110 1HD2 LEU 110 5.026 2.004 16.200 852 HD22 LEU 110 2HD2 LEU 110 4.383 3.236 15.114 853 HD23 LEU 110 3HD2 LEU 110 3.747 3.085 16.753 854 H GLY 111 H GLY 111 10.299 3.149 16.953 855 HA2 GLY 111 2HA GLY 111 12.287 2.409 15.969 856 HA3 GLY 111 3HA GLY 111 11.344 1.572 14.745 857 H GLU 112 H GLU 112 10.537 4.856 15.368 858 HA GLU 112 HA GLU 112 11.594 5.584 12.739 859 HB2 GLU 112 2HB GLU 112 9.149 6.022 13.775 860 HB3 GLU 112 3HB GLU 112 9.946 7.505 14.283 861 HG2 GLU 112 2HG GLU 112 8.872 7.915 12.202 862 HG3 GLU 112 3HG GLU 112 10.612 7.888 11.922 863 H ASN 113 H ASN 113 13.163 7.066 12.436 864 HA ASN 113 HA ASN 113 14.255 8.380 14.837 865 HB2 ASN 113 2HB ASN 113 15.571 6.974 12.569 866 HB3 ASN 113 3HB ASN 113 16.383 8.397 13.215 867 HD21 ASN 113 1HD2 ASN 113 17.113 8.380 15.353 868 HD22 ASN 113 2HD2 ASN 113 17.336 6.904 16.223 869 HA PRO 114 HA PRO 114 12.823 11.652 11.850 870 HB2 PRO 114 2HB PRO 114 11.543 13.143 13.723 871 HB3 PRO 114 3HB PRO 114 10.767 11.808 12.863 872 HG2 PRO 114 2HG PRO 114 11.973 11.850 15.603 873 HG3 PRO 114 3HG PRO 114 10.456 11.111 15.060 874 HD2 PRO 114 2HD PRO 114 12.721 9.676 15.440 875 HD3 PRO 114 3HD PRO 114 11.520 9.255 14.202 876 H GLY 115 H GLY 115 13.188 14.063 12.071 877 HA2 GLY 115 2HA GLY 115 15.862 14.492 13.041 878 HA3 GLY 115 3HA GLY 115 14.849 15.667 12.216 879 H ASP 116 H ASP 116 16.555 15.659 14.755 880 HA ASP 116 HA ASP 116 15.021 15.893 17.039 881 HB2 ASP 116 2HB ASP 116 17.583 17.137 16.135 882 HB3 ASP 116 3HB ASP 116 16.829 17.736 17.610 883 H ASP 117 H ASP 117 15.548 18.244 14.471 884 HA ASP 117 HA ASP 117 14.425 20.491 15.691 885 HB2 ASP 117 2HB ASP 117 14.004 21.288 13.360 886 HB3 ASP 117 3HB ASP 117 15.647 20.710 13.624 887 H VAL 118 H VAL 118 12.921 17.798 13.997 888 HA VAL 118 HA VAL 118 10.310 18.917 13.889 889 HB VAL 118 HB VAL 118 11.121 16.007 13.816 890 HG11 VAL 118 1HG1 VAL 118 8.823 16.021 14.231 891 HG12 VAL 118 2HG1 VAL 118 8.553 17.436 13.211 892 HG13 VAL 118 3HG1 VAL 118 8.936 15.878 12.477 893 HG21 VAL 118 1HG2 VAL 118 12.244 17.040 12.031 894 HG22 VAL 118 2HG2 VAL 118 10.777 16.374 11.314 895 HG23 VAL 118 3HG2 VAL 118 10.879 18.098 11.672 896 H LEU 119 H LEU 119 12.079 17.094 16.284 897 HA LEU 119 HA LEU 119 9.829 16.368 17.874 898 HB2 LEU 119 2HB LEU 119 12.358 15.533 17.813 899 HB3 LEU 119 3HB LEU 119 12.499 16.706 19.120 900 HG LEU 119 HG LEU 119 12.149 14.446 19.972 901 HD11 LEU 119 1HD1 LEU 119 11.184 16.537 21.071 902 HD12 LEU 119 2HD1 LEU 119 10.531 14.979 21.575 903 HD13 LEU 119 3HD1 LEU 119 9.624 15.994 20.454 904 HD21 LEU 119 1HD2 LEU 119 9.370 14.435 18.884 905 HD22 LEU 119 2HD2 LEU 119 10.373 13.088 19.424 906 HD23 LEU 119 3HD2 LEU 119 10.702 13.869 17.876 907 H GLN 120 H GLN 120 12.379 18.818 18.352 908 HA GLN 120 HA GLN 120 11.217 20.028 20.597 909 HB2 GLN 120 2HB GLN 120 12.920 21.461 18.563 910 HB3 GLN 120 3HB GLN 120 12.773 21.805 20.281 911 HG2 GLN 120 2HG GLN 120 14.217 19.560 18.931 912 HG3 GLN 120 3HG GLN 120 14.834 20.750 20.075 913 HE21 GLN 120 1HE2 GLN 120 14.677 17.712 19.968 914 HE22 GLN 120 2HE2 GLN 120 14.059 17.278 21.522 915 H GLU 121 H GLU 121 10.948 20.801 17.147 916 HA GLU 121 HA GLU 121 9.369 23.110 17.436 917 HB2 GLU 121 2HB GLU 121 9.730 21.146 15.183 918 HB3 GLU 121 3HB GLU 121 8.640 22.519 15.044 919 HG2 GLU 121 2HG GLU 121 10.418 24.067 15.276 920 HG3 GLU 121 3HG GLU 121 11.546 22.799 15.751 921 H MET 122 H MET 122 8.476 19.711 16.943 922 HA MET 122 HA MET 122 5.720 20.034 16.730 923 HB2 MET 122 2HB MET 122 6.725 17.914 16.222 924 HB3 MET 122 3HB MET 122 7.346 17.755 17.860 925 HG2 MET 122 2HG MET 122 5.151 17.443 18.738 926 HG3 MET 122 3HG MET 122 4.418 17.840 17.186 927 HE1 MET 122 1HE MET 122 5.326 15.625 14.821 928 HE2 MET 122 2HE MET 122 3.869 14.874 15.471 929 HE3 MET 122 3HE MET 122 4.028 16.631 15.465 930 H ILE 123 H ILE 123 7.618 19.267 19.651 931 HA ILE 123 HA ILE 123 5.496 19.348 21.465 932 HB ILE 123 HB ILE 123 8.395 20.035 21.964 933 HG12 ILE 123 2HG1 ILE 123 8.026 17.780 21.009 934 HG13 ILE 123 3HG1 ILE 123 8.625 17.714 22.663 935 HG21 ILE 123 1HG2 ILE 123 7.326 20.836 23.848 936 HG22 ILE 123 2HG2 ILE 123 6.065 19.605 23.784 937 HG23 ILE 123 3HG2 ILE 123 7.691 19.174 24.313 938 HD11 ILE 123 1HD1 ILE 123 5.782 17.304 21.773 939 HD12 ILE 123 2HD1 ILE 123 6.904 16.065 22.337 940 HD13 ILE 123 3HD1 ILE 123 6.332 17.310 23.448 941 H ALA 124 H ALA 124 7.571 21.917 20.232 942 HA ALA 124 HA ALA 124 6.793 23.959 21.985 943 HB1 ALA 124 1HB ALA 124 7.928 25.404 20.605 944 HB2 ALA 124 2HB ALA 124 8.665 23.864 20.163 945 HB3 ALA 124 3HB ALA 124 7.420 24.572 19.135 946 H GLU 125 H GLU 125 5.478 23.015 18.820 947 HA GLU 125 HA GLU 125 3.506 25.021 18.687 948 HB2 GLU 125 2HB GLU 125 3.859 22.355 17.356 949 HB3 GLU 125 3HB GLU 125 2.379 23.275 17.118 950 HG2 GLU 125 2HG GLU 125 4.393 25.121 16.681 951 HG3 GLU 125 3HG GLU 125 4.998 23.637 15.946 952 H ALA 126 H ALA 126 3.276 21.613 19.693 953 HA ALA 126 HA ALA 126 0.566 21.631 20.383 954 HB1 ALA 126 1HB ALA 126 2.592 19.764 20.381 955 HB2 ALA 126 2HB ALA 126 2.171 19.908 22.088 956 HB3 ALA 126 3HB ALA 126 0.930 19.494 20.906 957 H ASP 127 H ASP 127 3.410 22.639 22.168 958 HA ASP 127 HA ASP 127 2.310 22.782 24.737 959 HB2 ASP 127 2HB ASP 127 4.686 22.986 24.447 960 HB3 ASP 127 3HB ASP 127 4.492 24.411 23.429 961 H GLU 128 H GLU 128 1.957 24.858 21.974 962 HA GLU 128 HA GLU 128 1.057 27.182 23.300 963 HB2 GLU 128 2HB GLU 128 1.611 26.501 20.692 964 HB3 GLU 128 3HB GLU 128 -0.137 26.696 20.669 965 HG2 GLU 128 2HG GLU 128 -0.018 28.915 20.883 966 HG3 GLU 128 3HG GLU 128 1.278 28.831 22.074 967 H ASP 129 H ASP 129 -0.489 24.191 22.472 968 HA ASP 129 HA ASP 129 -3.176 25.017 22.536 969 HB2 ASP 129 2HB ASP 129 -2.148 22.755 21.793 970 HB3 ASP 129 3HB ASP 129 -2.284 22.311 23.492 971 H GLY 130 H GLY 130 -0.880 24.318 25.065 972 HA2 GLY 130 2HA GLY 130 -2.797 25.306 27.031 973 HA3 GLY 130 3HA GLY 130 -2.176 23.682 27.286 974 H ASP 131 H ASP 131 -0.907 23.909 29.035 975 HA ASP 131 HA ASP 131 1.343 25.790 28.809 976 HB2 ASP 131 2HB ASP 131 -0.682 25.595 30.932 977 HB3 ASP 131 3HB ASP 131 0.979 25.609 31.517 978 H GLY 132 H GLY 132 2.723 24.138 28.135 979 HA2 GLY 132 2HA GLY 132 4.426 22.646 28.631 980 HA3 GLY 132 3HA GLY 132 3.825 22.559 30.280 981 H GLU 133 H GLU 133 1.598 22.014 27.700 982 HA GLU 133 HA GLU 133 1.764 19.111 28.167 983 HB2 GLU 133 2HB GLU 133 -0.538 20.952 28.399 984 HB3 GLU 133 3HB GLU 133 -0.855 19.434 27.570 985 HG2 GLU 133 2HG GLU 133 -0.711 18.225 29.450 986 HG3 GLU 133 3HG GLU 133 0.630 19.177 30.085 987 H VAL 134 H VAL 134 1.300 17.765 26.421 988 HA VAL 134 HA VAL 134 1.428 19.099 23.805 989 HB VAL 134 HB VAL 134 2.079 16.228 24.483 990 HG11 VAL 134 1HG1 VAL 134 1.623 17.566 22.000 991 HG12 VAL 134 2HG1 VAL 134 3.315 17.075 22.096 992 HG13 VAL 134 3HG1 VAL 134 2.035 15.877 22.292 993 HG21 VAL 134 1HG2 VAL 134 4.433 16.936 24.126 994 HG22 VAL 134 2HG2 VAL 134 3.880 18.609 24.058 995 HG23 VAL 134 3HG2 VAL 134 3.683 17.675 25.541 996 H SER 135 H SER 135 -0.470 19.285 22.822 997 HA SER 135 HA SER 135 -2.441 17.119 23.140 998 HB2 SER 135 2HB SER 135 -3.319 19.186 24.011 999 HB3 SER 135 3HB SER 135 -2.840 20.061 22.557 1000 HG SER 135 HG SER 135 -5.028 19.573 22.441 1001 H PHE 136 H PHE 136 -2.258 15.787 21.451 1002 HA PHE 136 HA PHE 136 -1.217 16.350 18.950 1003 HB2 PHE 136 2HB PHE 136 -2.519 14.151 20.210 1004 HB3 PHE 136 3HB PHE 136 -3.257 14.383 18.629 1005 HD1 PHE 136 HD1 PHE 136 -1.442 14.861 16.707 1006 HD2 PHE 136 HD2 PHE 136 -0.738 12.723 20.319 1007 HE1 PHE 136 HE1 PHE 136 0.459 13.710 15.651 1008 HE2 PHE 136 HE2 PHE 136 1.164 11.569 19.270 1009 HZ PHE 136 HZ PHE 136 1.766 12.062 16.933 1010 H GLU 137 H GLU 137 -4.405 16.948 20.208 1011 HA GLU 137 HA GLU 137 -5.912 17.205 17.908 1012 HB2 GLU 137 2HB GLU 137 -6.751 17.406 20.256 1013 HB3 GLU 137 3HB GLU 137 -6.075 19.027 20.313 1014 HG2 GLU 137 2HG GLU 137 -7.527 19.439 18.210 1015 HG3 GLU 137 3HG GLU 137 -8.402 18.007 18.749 1016 H GLU 138 H GLU 138 -3.606 19.461 19.313 1017 HA GLU 138 HA GLU 138 -4.215 21.673 17.668 1018 HB2 GLU 138 2HB GLU 138 -2.561 21.242 19.807 1019 HB3 GLU 138 3HB GLU 138 -1.407 21.412 18.492 1020 HG2 GLU 138 2HG GLU 138 -3.576 23.423 18.697 1021 HG3 GLU 138 3HG GLU 138 -2.273 23.483 19.883 1022 H PHE 139 H PHE 139 -1.646 19.217 17.418 1023 HA PHE 139 HA PHE 139 -0.474 20.100 15.064 1024 HB2 PHE 139 2HB PHE 139 0.175 18.159 16.702 1025 HB3 PHE 139 3HB PHE 139 -0.762 17.164 15.592 1026 HD1 PHE 139 HD1 PHE 139 1.677 19.957 15.157 1027 HD2 PHE 139 HD2 PHE 139 0.594 15.953 14.203 1028 HE1 PHE 139 HE1 PHE 139 3.630 19.787 13.669 1029 HE2 PHE 139 HE2 PHE 139 2.545 15.776 12.715 1030 HZ PHE 139 HZ PHE 139 4.066 17.693 12.447 1031 H LYS 140 H LYS 140 -3.113 17.754 15.475 1032 HA LYS 140 HA LYS 140 -3.506 17.180 12.763 1033 HB2 LYS 140 2HB LYS 140 -4.470 15.876 14.642 1034 HB3 LYS 140 3HB LYS 140 -5.582 17.200 14.963 1035 HG2 LYS 140 2HG LYS 140 -6.742 15.519 13.730 1036 HG3 LYS 140 3HG LYS 140 -6.498 16.912 12.673 1037 HD2 LYS 140 2HD LYS 140 -4.247 15.236 12.364 1038 HD3 LYS 140 3HD LYS 140 -5.674 14.199 12.299 1039 HE2 LYS 140 2HE LYS 140 -5.528 16.748 10.726 1040 HE3 LYS 140 3HE LYS 140 -4.819 15.255 10.112 1041 HZ1 LYS 140 1HZ LYS 140 -7.187 14.339 10.733 1042 HZ2 LYS 140 2HZ LYS 140 -6.898 15.091 9.246 1043 HZ3 LYS 140 3HZ LYS 140 -7.632 15.955 10.502 1044 H SER 141 H SER 141 -4.980 19.648 14.839 1045 HA SER 141 HA SER 141 -6.832 20.667 13.026 1046 HB2 SER 141 2HB SER 141 -7.145 21.533 15.139 1047 HB3 SER 141 3HB SER 141 -5.419 21.760 15.418 1048 HG SER 141 HG SER 141 -7.243 23.508 14.457 1049 H VAL 142 H VAL 142 -3.476 21.686 13.614 1050 HA VAL 142 HA VAL 142 -3.403 23.745 11.711 1051 HB VAL 142 HB VAL 142 -1.100 22.011 12.617 1052 HG11 VAL 142 1HG1 VAL 142 -1.305 24.510 11.026 1053 HG12 VAL 142 2HG1 VAL 142 0.031 24.366 12.170 1054 HG13 VAL 142 3HG1 VAL 142 -0.167 23.170 10.889 1055 HG21 VAL 142 1HG2 VAL 142 -1.377 22.918 14.626 1056 HG22 VAL 142 2HG2 VAL 142 -1.050 24.498 13.914 1057 HG23 VAL 142 3HG2 VAL 142 -2.709 23.915 14.043 1058 H MET 143 H MET 143 -2.586 20.305 11.450 1059 HA MET 143 HA MET 143 -1.572 20.310 8.856 1060 HB2 MET 143 2HB MET 143 -1.668 18.407 10.605 1061 HB3 MET 143 3HB MET 143 -3.246 18.051 9.916 1062 HG2 MET 143 2HG MET 143 -2.197 16.782 8.438 1063 HG3 MET 143 3HG MET 143 -1.588 18.269 7.714 1064 HE1 MET 143 1HE MET 143 0.246 15.091 7.910 1065 HE2 MET 143 2HE MET 143 -0.125 16.403 6.792 1066 HE3 MET 143 3HE MET 143 1.516 16.208 7.410 1067 H MET 144 H MET 144 -4.913 19.711 9.941 1068 HA MET 144 HA MET 144 -6.042 19.366 7.407 1069 HB2 MET 144 2HB MET 144 -7.015 19.063 9.845 1070 HB3 MET 144 3HB MET 144 -7.617 20.692 9.571 1071 HG2 MET 144 2HG MET 144 -9.222 19.989 8.202 1072 HG3 MET 144 3HG MET 144 -8.134 18.904 7.339 1073 HE1 MET 144 1HE MET 144 -10.081 18.345 11.296 1074 HE2 MET 144 2HE MET 144 -10.234 19.697 10.174 1075 HE3 MET 144 3HE MET 144 -11.357 18.339 10.077 1076 H GLN 145 H GLN 145 -5.710 22.299 9.384 1077 HA GLN 145 HA GLN 145 -7.052 24.078 7.728 1078 HB2 GLN 145 2HB GLN 145 -6.231 24.577 10.025 1079 HB3 GLN 145 3HB GLN 145 -4.597 24.678 9.385 1080 HG2 GLN 145 2HG GLN 145 -5.408 26.506 7.873 1081 HG3 GLN 145 3HG GLN 145 -6.921 26.482 8.778 1082 HE21 GLN 145 1HE2 GLN 145 -5.969 28.803 8.913 1083 HE22 GLN 145 2HE2 GLN 145 -5.068 29.134 10.349 1084 H MET 146 H MET 146 -3.668 23.042 7.648 1085 HA MET 146 HA MET 146 -2.855 24.778 5.573 1086 HB2 MET 146 2HB MET 146 -1.732 22.127 6.488 1087 HB3 MET 146 3HB MET 146 -0.944 23.180 5.321 1088 HG2 MET 146 2HG MET 146 -1.596 24.708 7.630 1089 HG3 MET 146 3HG MET 146 -0.771 23.235 8.134 1090 HE1 MET 146 1HE MET 146 2.478 23.190 7.285 1091 HE2 MET 146 2HE MET 146 2.293 24.423 8.533 1092 HE3 MET 146 3HE MET 146 1.206 23.034 8.497 1093 H ARG 147 H ARG 147 -3.964 21.405 5.556 1094 HA ARG 147 HA ARG 147 -3.632 20.870 2.847 1095 HB2 ARG 147 2HB ARG 147 -5.382 19.793 5.002 1096 HB3 ARG 147 3HB ARG 147 -5.779 19.369 3.343 1097 HG2 ARG 147 2HG ARG 147 -3.091 18.924 4.622 1098 HG3 ARG 147 3HG ARG 147 -4.355 17.702 4.480 1099 HD2 ARG 147 2HD ARG 147 -3.736 19.042 1.961 1100 HD3 ARG 147 3HD ARG 147 -2.365 18.173 2.649 1101 HE ARG 147 HE ARG 147 -4.744 16.599 2.651 1102 HH11 ARG 147 1HH1 ARG 147 -2.119 17.715 0.655 1103 HH12 ARG 147 2HH1 ARG 147 -2.205 16.372 -0.436 1104 HH21 ARG 147 1HH2 ARG 147 -4.868 14.826 1.221 1105 HH22 ARG 147 2HH2 ARG 147 -3.770 14.729 -0.114 1106 H GLY 148 H GLY 148 -6.379 22.337 4.544 1107 HA2 GLY 148 2HA GLY 148 -8.083 22.520 2.296 1108 HA3 GLY 148 3HA GLY 148 -8.216 23.474 3.766 1109 H LYS 149 H LYS 149 -6.069 25.025 3.842 1110 HA LYS 149 HA LYS 149 -6.595 27.005 1.908 1111 HB2 LYS 149 2HB LYS 149 -4.121 26.787 3.627 1112 HB3 LYS 149 3HB LYS 149 -4.793 28.247 2.913 1113 HG2 LYS 149 2HG LYS 149 -6.829 27.085 4.481 1114 HG3 LYS 149 3HG LYS 149 -5.350 27.065 5.444 1115 HD2 LYS 149 2HD LYS 149 -5.154 29.365 5.431 1116 HD3 LYS 149 3HD LYS 149 -6.097 29.542 3.950 1117 HE2 LYS 149 2HE LYS 149 -7.359 28.514 6.466 1118 HE3 LYS 149 3HE LYS 149 -7.154 30.245 6.202 1119 HZ1 LYS 149 1HZ LYS 149 -9.049 30.162 5.078 1120 HZ2 LYS 149 2HZ LYS 149 -9.081 28.471 5.088 1121 HZ3 LYS 149 3HZ LYS 149 -8.241 29.293 3.872 Start of MODEL 7 1 H1 MET 1 H MET 1 -1.022 -0.399 -1.990 2 HA MET 1 HA MET 1 1.164 -0.226 -3.215 3 HB2 MET 1 2HB MET 1 -1.253 1.163 -4.374 4 HB3 MET 1 3HB MET 1 0.187 0.786 -5.309 5 HG2 MET 1 2HG MET 1 -0.178 -1.507 -5.180 6 HG3 MET 1 3HG MET 1 -1.284 -1.348 -3.817 7 HE1 MET 1 1HE MET 1 -1.734 -1.135 -8.170 8 HE2 MET 1 2HE MET 1 -1.949 0.560 -7.733 9 HE3 MET 1 3HE MET 1 -0.491 -0.301 -7.237 10 H ALA 2 H ALA 2 -0.566 2.876 -3.482 11 HA ALA 2 HA ALA 2 1.979 4.251 -2.926 12 HB1 ALA 2 1HB ALA 2 1.240 4.160 -5.393 13 HB2 ALA 2 2HB ALA 2 0.018 5.338 -4.913 14 HB3 ALA 2 3HB ALA 2 1.730 5.713 -4.716 15 H ALA 3 H ALA 3 1.862 6.116 -1.728 16 HA ALA 3 HA ALA 3 -0.771 6.706 -0.551 17 HB1 ALA 3 1HB ALA 3 1.996 6.731 0.540 18 HB2 ALA 3 2HB ALA 3 0.818 7.862 1.205 19 HB3 ALA 3 3HB ALA 3 0.502 6.128 1.257 20 H LEU 4 H LEU 4 -1.250 8.939 -0.026 21 HA LEU 4 HA LEU 4 -0.956 10.686 -2.159 22 HB2 LEU 4 2HB LEU 4 -1.819 12.416 -0.676 23 HB3 LEU 4 3HB LEU 4 -2.715 10.908 -0.505 24 HG LEU 4 HG LEU 4 -0.880 10.670 1.492 25 HD11 LEU 4 1HD1 LEU 4 -1.666 13.325 2.229 26 HD12 LEU 4 2HD1 LEU 4 -0.738 13.366 0.730 27 HD13 LEU 4 3HD1 LEU 4 -0.054 12.612 2.169 28 HD21 LEU 4 1HD2 LEU 4 -2.691 11.011 2.967 29 HD22 LEU 4 2HD2 LEU 4 -3.394 10.373 1.481 30 HD23 LEU 4 3HD2 LEU 4 -3.505 12.097 1.841 31 H THR 5 H THR 5 0.947 10.408 0.800 32 HA THR 5 HA THR 5 2.476 12.699 0.662 33 HB THR 5 HB THR 5 4.237 10.606 1.425 34 HG1 THR 5 HG1 THR 5 2.779 9.105 1.863 35 HG21 THR 5 1HG2 THR 5 2.531 12.256 3.275 36 HG22 THR 5 2HG2 THR 5 3.880 12.947 2.373 37 HG23 THR 5 3HG2 THR 5 4.168 11.654 3.537 38 H ASP 6 H ASP 6 3.018 9.601 -0.976 39 HA ASP 6 HA ASP 6 5.485 10.183 -2.142 40 HB2 ASP 6 2HB ASP 6 3.684 8.066 -2.214 41 HB3 ASP 6 3HB ASP 6 3.764 8.611 -3.887 42 H GLU 7 H GLU 7 2.203 10.712 -3.394 43 HA GLU 7 HA GLU 7 2.974 11.783 -5.879 44 HB2 GLU 7 2HB GLU 7 0.593 11.111 -4.711 45 HB3 GLU 7 3HB GLU 7 0.496 12.867 -4.728 46 HG2 GLU 7 2HG GLU 7 0.851 12.900 -7.118 47 HG3 GLU 7 3HG GLU 7 1.064 11.150 -7.134 48 H GLN 8 H GLN 8 2.549 13.231 -2.713 49 HA GLN 8 HA GLN 8 2.579 15.933 -3.511 50 HB2 GLN 8 2HB GLN 8 2.625 14.451 -1.043 51 HB3 GLN 8 3HB GLN 8 3.785 15.770 -0.970 52 HG2 GLN 8 2HG GLN 8 1.641 17.038 -2.024 53 HG3 GLN 8 3HG GLN 8 0.853 15.828 -1.013 54 HE21 GLN 8 1HE2 GLN 8 1.848 18.897 -1.030 55 HE22 GLN 8 2HE2 GLN 8 2.191 19.130 0.647 56 H ILE 9 H ILE 9 5.204 13.921 -2.174 57 HA ILE 9 HA ILE 9 7.241 15.819 -2.527 58 HB ILE 9 HB ILE 9 8.808 13.890 -2.375 59 HG12 ILE 9 2HG1 ILE 9 6.250 12.278 -2.258 60 HG13 ILE 9 3HG1 ILE 9 7.437 12.233 -3.557 61 HG21 ILE 9 1HG2 ILE 9 8.181 13.255 -0.086 62 HG22 ILE 9 2HG2 ILE 9 8.007 14.987 -0.366 63 HG23 ILE 9 3HG2 ILE 9 6.581 13.950 -0.344 64 HD11 ILE 9 1HD1 ILE 9 8.267 10.479 -2.466 65 HD12 ILE 9 2HD1 ILE 9 8.962 11.671 -1.367 66 HD13 ILE 9 3HD1 ILE 9 7.430 10.894 -0.970 67 H ARG 10 H ARG 10 5.878 13.421 -4.690 68 HA ARG 10 HA ARG 10 7.892 13.488 -6.665 69 HB2 ARG 10 2HB ARG 10 6.198 11.716 -6.552 70 HB3 ARG 10 3HB ARG 10 4.944 12.881 -6.953 71 HG2 ARG 10 2HG ARG 10 5.446 11.672 -8.927 72 HG3 ARG 10 3HG ARG 10 6.133 13.287 -9.116 73 HD2 ARG 10 2HD ARG 10 8.309 12.281 -8.252 74 HD3 ARG 10 3HD ARG 10 7.554 10.709 -8.514 75 HE ARG 10 HE ARG 10 7.290 12.167 -10.869 76 HH11 ARG 10 1HH1 ARG 10 9.826 10.810 -8.907 77 HH12 ARG 10 2HH1 ARG 10 10.903 10.561 -10.241 78 HH21 ARG 10 1HH2 ARG 10 8.699 11.844 -12.633 79 HH22 ARG 10 2HH2 ARG 10 10.261 11.150 -12.360 80 H GLU 11 H GLU 11 4.806 15.239 -6.395 81 HA GLU 11 HA GLU 11 5.134 16.733 -8.775 82 HB2 GLU 11 2HB GLU 11 3.399 17.038 -6.342 83 HB3 GLU 11 3HB GLU 11 3.424 18.282 -7.584 84 HG2 GLU 11 2HG GLU 11 2.517 16.862 -9.195 85 HG3 GLU 11 3HG GLU 11 2.905 15.414 -8.268 86 H ALA 12 H ALA 12 6.101 17.270 -5.446 87 HA ALA 12 HA ALA 12 6.782 19.996 -5.664 88 HB1 ALA 12 1HB ALA 12 8.214 18.103 -3.835 89 HB2 ALA 12 2HB ALA 12 7.768 19.788 -3.566 90 HB3 ALA 12 3HB ALA 12 6.527 18.535 -3.559 91 H PHE 13 H PHE 13 8.886 17.113 -5.744 92 HA PHE 13 HA PHE 13 11.230 18.502 -6.439 93 HB2 PHE 13 2HB PHE 13 11.408 16.293 -5.520 94 HB3 PHE 13 3HB PHE 13 10.434 15.613 -6.819 95 HD1 PHE 13 HD1 PHE 13 11.373 15.278 -9.036 96 HD2 PHE 13 HD2 PHE 13 13.731 16.812 -5.842 97 HE1 PHE 13 HE1 PHE 13 13.417 14.802 -10.321 98 HE2 PHE 13 HE2 PHE 13 15.779 16.340 -7.122 99 HZ PHE 13 HZ PHE 13 15.623 15.334 -9.365 100 H ASN 14 H ASN 14 8.624 17.172 -8.360 101 HA ASN 14 HA ASN 14 9.909 17.267 -10.874 102 HB2 ASN 14 2HB ASN 14 7.818 15.999 -10.405 103 HB3 ASN 14 3HB ASN 14 6.951 17.528 -10.290 104 HD21 ASN 14 1HD2 ASN 14 9.149 15.823 -12.493 105 HD22 ASN 14 2HD2 ASN 14 8.320 16.274 -13.940 106 H LEU 15 H LEU 15 7.849 19.591 -9.161 107 HA LEU 15 HA LEU 15 7.818 21.532 -11.219 108 HB2 LEU 15 2HB LEU 15 6.729 21.223 -8.628 109 HB3 LEU 15 3HB LEU 15 7.594 22.759 -8.652 110 HG LEU 15 HG LEU 15 5.296 23.165 -9.181 111 HD11 LEU 15 1HD1 LEU 15 6.596 23.274 -11.867 112 HD12 LEU 15 2HD1 LEU 15 7.240 24.233 -10.536 113 HD13 LEU 15 3HD1 LEU 15 5.574 24.466 -11.064 114 HD21 LEU 15 1HD2 LEU 15 4.100 21.535 -10.104 115 HD22 LEU 15 2HD2 LEU 15 5.552 20.688 -10.638 116 HD23 LEU 15 3HD2 LEU 15 4.846 21.950 -11.648 117 H PHE 16 H PHE 16 9.802 21.188 -8.293 118 HA PHE 16 HA PHE 16 11.304 23.526 -8.581 119 HB2 PHE 16 2HB PHE 16 11.935 20.879 -7.279 120 HB3 PHE 16 3HB PHE 16 13.043 22.246 -7.220 121 HD1 PHE 16 HD1 PHE 16 11.296 24.516 -6.807 122 HD2 PHE 16 HD2 PHE 16 11.085 20.598 -5.158 123 HE1 PHE 16 HE1 PHE 16 10.092 25.407 -4.855 124 HE2 PHE 16 HE2 PHE 16 9.880 21.482 -3.203 125 HZ PHE 16 HZ PHE 16 9.381 23.889 -3.050 126 H ASP 17 H ASP 17 11.840 20.273 -9.859 127 HA ASP 17 HA ASP 17 14.340 20.950 -11.092 128 HB2 ASP 17 2HB ASP 17 13.700 18.636 -10.345 129 HB3 ASP 17 3HB ASP 17 12.563 18.579 -11.689 130 H ALA 18 H ALA 18 10.999 21.081 -11.997 131 HA ALA 18 HA ALA 18 11.130 21.001 -14.764 132 HB1 ALA 18 1HB ALA 18 9.284 23.038 -13.895 133 HB2 ALA 18 2HB ALA 18 8.961 21.451 -14.595 134 HB3 ALA 18 3HB ALA 18 9.194 21.616 -12.855 135 H ASP 19 H ASP 19 12.157 23.488 -12.568 136 HA ASP 19 HA ASP 19 12.158 25.743 -14.162 137 HB2 ASP 19 2HB ASP 19 13.977 24.805 -11.966 138 HB3 ASP 19 3HB ASP 19 14.320 26.307 -12.820 139 H GLY 20 H GLY 20 14.255 22.956 -14.282 140 HA2 GLY 20 2HA GLY 20 15.534 22.284 -16.119 141 HA3 GLY 20 3HA GLY 20 15.316 23.879 -16.824 142 H SER 21 H SER 21 16.418 23.459 -13.542 143 HA SER 21 HA SER 21 19.065 24.449 -14.374 144 HB2 SER 21 2HB SER 21 17.224 25.458 -12.459 145 HB3 SER 21 3HB SER 21 18.622 24.847 -11.574 146 HG SER 21 HG SER 21 19.083 26.934 -12.137 147 H GLY 22 H GLY 22 20.921 23.682 -13.235 148 HA2 GLY 22 2HA GLY 22 20.924 20.895 -12.802 149 HA3 GLY 22 3HA GLY 22 22.240 21.992 -12.415 150 H ALA 23 H ALA 23 20.259 23.527 -10.678 151 HA ALA 23 HA ALA 23 19.673 21.688 -8.531 152 HB1 ALA 23 1HB ALA 23 21.702 21.873 -7.595 153 HB2 ALA 23 2HB ALA 23 22.110 23.316 -8.524 154 HB3 ALA 23 3HB ALA 23 21.130 23.455 -7.065 155 H ILE 24 H ILE 24 18.730 22.861 -6.625 156 HA ILE 24 HA ILE 24 17.304 25.274 -7.539 157 HB ILE 24 HB ILE 24 16.292 23.274 -5.519 158 HG12 ILE 24 2HG1 ILE 24 14.704 23.183 -7.833 159 HG13 ILE 24 3HG1 ILE 24 16.367 23.133 -8.407 160 HG21 ILE 24 1HG2 ILE 24 15.195 25.279 -5.112 161 HG22 ILE 24 2HG2 ILE 24 15.155 25.718 -6.819 162 HG23 ILE 24 3HG2 ILE 24 14.097 24.444 -6.212 163 HD11 ILE 24 1HD1 ILE 24 16.054 20.922 -8.105 164 HD12 ILE 24 2HD1 ILE 24 16.542 21.324 -6.458 165 HD13 ILE 24 3HD1 ILE 24 14.832 21.151 -6.854 166 H ASP 25 H ASP 25 17.627 27.071 -6.412 167 HA ASP 25 HA ASP 25 19.064 26.902 -3.871 168 HB2 ASP 25 2HB ASP 25 18.515 29.204 -5.749 169 HB3 ASP 25 3HB ASP 25 19.303 29.397 -4.186 170 H ALA 26 H ALA 26 18.403 29.010 -2.458 171 HA ALA 26 HA ALA 26 15.843 28.364 -1.397 172 HB1 ALA 26 1HB ALA 26 17.489 30.796 -0.736 173 HB2 ALA 26 2HB ALA 26 16.287 29.992 0.274 174 HB3 ALA 26 3HB ALA 26 17.817 29.191 -0.082 175 H GLU 27 H GLU 27 17.106 31.117 -3.242 176 HA GLU 27 HA GLU 27 14.838 32.735 -3.178 177 HB2 GLU 27 2HB GLU 27 15.731 33.755 -5.252 178 HB3 GLU 27 3HB GLU 27 16.949 33.577 -3.998 179 HG2 GLU 27 2HG GLU 27 17.720 31.502 -5.130 180 HG3 GLU 27 3HG GLU 27 16.593 31.856 -6.438 181 H GLU 28 H GLU 28 15.699 30.094 -5.363 182 HA GLU 28 HA GLU 28 13.550 30.419 -7.159 183 HB2 GLU 28 2HB GLU 28 15.762 28.810 -7.051 184 HB3 GLU 28 3HB GLU 28 14.470 27.660 -6.735 185 HG2 GLU 28 2HG GLU 28 14.723 27.588 -9.036 186 HG3 GLU 28 3HG GLU 28 13.338 28.652 -8.804 187 H MET 29 H MET 29 13.940 28.352 -4.296 188 HA MET 29 HA MET 29 11.490 27.029 -4.429 189 HB2 MET 29 2HB MET 29 13.637 27.242 -2.587 190 HB3 MET 29 3HB MET 29 12.152 27.532 -1.691 191 HG2 MET 29 2HG MET 29 11.240 25.423 -2.571 192 HG3 MET 29 3HG MET 29 12.771 25.129 -3.392 193 HE1 MET 29 1HE MET 29 12.779 22.999 -2.563 194 HE2 MET 29 2HE MET 29 14.370 23.063 -1.804 195 HE3 MET 29 3HE MET 29 12.987 22.443 -0.901 196 H ALA 30 H ALA 30 12.342 30.050 -2.762 197 HA ALA 30 HA ALA 30 9.813 30.547 -1.645 198 HB1 ALA 30 1HB ALA 30 10.942 33.043 -2.128 199 HB2 ALA 30 2HB ALA 30 11.094 32.075 -0.661 200 HB3 ALA 30 3HB ALA 30 12.317 31.956 -1.926 201 H LEU 31 H LEU 31 11.250 31.582 -4.719 202 HA LEU 31 HA LEU 31 9.192 33.249 -5.590 203 HB2 LEU 31 2HB LEU 31 11.562 32.130 -6.659 204 HB3 LEU 31 3HB LEU 31 10.267 31.825 -7.815 205 HG LEU 31 HG LEU 31 11.343 33.851 -8.448 206 HD11 LEU 31 1HD1 LEU 31 8.699 33.664 -8.125 207 HD12 LEU 31 2HD1 LEU 31 9.487 35.107 -8.764 208 HD13 LEU 31 3HD1 LEU 31 9.015 35.039 -7.066 209 HD21 LEU 31 1HD2 LEU 31 11.419 34.302 -5.560 210 HD22 LEU 31 2HD2 LEU 31 10.981 35.730 -6.498 211 HD23 LEU 31 3HD2 LEU 31 12.494 34.886 -6.831 212 H ALA 32 H ALA 32 9.686 29.779 -6.207 213 HA ALA 32 HA ALA 32 7.383 29.374 -7.753 214 HB1 ALA 32 1HB ALA 32 9.326 27.799 -7.497 215 HB2 ALA 32 2HB ALA 32 8.638 27.321 -5.945 216 HB3 ALA 32 3HB ALA 32 7.732 27.048 -7.432 217 H MET 33 H MET 33 7.911 28.880 -4.265 218 HA MET 33 HA MET 33 5.406 27.947 -3.569 219 HB2 MET 33 2HB MET 33 7.454 29.570 -2.096 220 HB3 MET 33 3HB MET 33 5.910 29.199 -1.339 221 HG2 MET 33 2HG MET 33 6.501 26.749 -2.034 222 HG3 MET 33 3HG MET 33 8.145 27.381 -2.083 223 HE1 MET 33 1HE MET 33 9.102 28.868 0.039 224 HE2 MET 33 2HE MET 33 7.565 29.697 0.284 225 HE3 MET 33 3HE MET 33 8.340 28.859 1.630 226 H LYS 34 H LYS 34 6.497 31.294 -3.938 227 HA LYS 34 HA LYS 34 4.093 32.506 -3.074 228 HB2 LYS 34 2HB LYS 34 6.382 33.594 -3.321 229 HB3 LYS 34 3HB LYS 34 6.045 33.692 -5.045 230 HG2 LYS 34 2HG LYS 34 3.795 34.798 -3.982 231 HG3 LYS 34 3HG LYS 34 5.033 35.311 -2.831 232 HD2 LYS 34 2HD LYS 34 5.524 35.586 -5.768 233 HD3 LYS 34 3HD LYS 34 4.517 36.771 -4.931 234 HE2 LYS 34 2HE LYS 34 7.144 36.055 -3.734 235 HE3 LYS 34 3HE LYS 34 7.136 37.079 -5.169 236 HZ1 LYS 34 1HZ LYS 34 5.283 38.289 -3.711 237 HZ2 LYS 34 2HZ LYS 34 6.924 38.691 -3.632 238 HZ3 LYS 34 3HZ LYS 34 6.247 37.670 -2.466 239 H GLY 35 H GLY 35 5.340 31.754 -6.322 240 HA2 GLY 35 2HA GLY 35 3.240 32.810 -7.816 241 HA3 GLY 35 3HA GLY 35 4.256 31.469 -8.324 242 H LEU 36 H LEU 36 3.496 29.698 -6.187 243 HA LEU 36 HA LEU 36 1.063 28.684 -7.341 244 HB2 LEU 36 2HB LEU 36 2.720 27.694 -5.025 245 HB3 LEU 36 3HB LEU 36 1.366 26.826 -5.746 246 HG LEU 36 HG LEU 36 3.751 27.588 -7.395 247 HD11 LEU 36 1HD1 LEU 36 3.940 25.999 -5.124 248 HD12 LEU 36 2HD1 LEU 36 5.085 26.076 -6.463 249 HD13 LEU 36 3HD1 LEU 36 3.811 24.856 -6.461 250 HD21 LEU 36 1HD2 LEU 36 1.374 25.864 -7.646 251 HD22 LEU 36 2HD2 LEU 36 2.880 25.196 -8.275 252 HD23 LEU 36 3HD2 LEU 36 2.280 26.741 -8.879 253 H GLY 37 H GLY 37 1.955 30.514 -4.537 254 HA2 GLY 37 2HA GLY 37 0.683 31.520 -2.911 255 HA3 GLY 37 3HA GLY 37 -0.709 31.224 -3.944 256 H PHE 38 H PHE 38 1.192 28.515 -2.973 257 HA PHE 38 HA PHE 38 -0.727 27.869 -0.844 258 HB2 PHE 38 2HB PHE 38 -0.472 26.553 -3.390 259 HB3 PHE 38 3HB PHE 38 -0.040 25.436 -2.100 260 HD1 PHE 38 HD1 PHE 38 -2.704 27.705 -3.301 261 HD2 PHE 38 HD2 PHE 38 -1.686 24.452 -0.752 262 HE1 PHE 38 HE1 PHE 38 -5.091 27.320 -2.845 263 HE2 PHE 38 HE2 PHE 38 -4.071 24.060 -0.294 264 HZ PHE 38 HZ PHE 38 -5.777 25.494 -1.341 265 H GLY 39 H GLY 39 0.082 26.710 0.876 266 HA2 GLY 39 2HA GLY 39 1.676 25.959 2.347 267 HA3 GLY 39 3HA GLY 39 2.472 25.267 0.941 268 H ASP 40 H ASP 40 1.875 28.657 1.820 269 HA ASP 40 HA ASP 40 4.587 29.351 1.157 270 HB2 ASP 40 2HB ASP 40 2.733 30.883 0.654 271 HB3 ASP 40 3HB ASP 40 2.379 31.025 2.373 272 H LEU 41 H LEU 41 6.202 28.933 2.506 273 HA LEU 41 HA LEU 41 5.713 29.056 5.399 274 HB2 LEU 41 2HB LEU 41 7.681 27.605 3.687 275 HB3 LEU 41 3HB LEU 41 8.086 27.956 5.366 276 HG LEU 41 HG LEU 41 7.212 25.686 5.080 277 HD11 LEU 41 1HD1 LEU 41 6.879 26.847 7.199 278 HD12 LEU 41 2HD1 LEU 41 5.530 25.768 6.843 279 HD13 LEU 41 3HD1 LEU 41 5.355 27.507 6.605 280 HD21 LEU 41 1HD2 LEU 41 4.865 25.338 4.497 281 HD22 LEU 41 2HD2 LEU 41 5.748 26.093 3.171 282 HD23 LEU 41 3HD2 LEU 41 4.681 27.064 4.186 283 HA PRO 42 HA PRO 42 8.199 32.624 5.982 284 HB2 PRO 42 2HB PRO 42 9.495 32.049 8.297 285 HB3 PRO 42 3HB PRO 42 7.771 32.434 8.231 286 HG2 PRO 42 2HG PRO 42 9.111 29.762 8.393 287 HG3 PRO 42 3HG PRO 42 7.684 30.352 9.263 288 HD2 PRO 42 2HD PRO 42 7.505 28.741 7.094 289 HD3 PRO 42 3HD PRO 42 6.280 29.968 7.475 290 H ARG 43 H ARG 43 10.448 33.411 6.276 291 HA ARG 43 HA ARG 43 12.214 32.148 4.493 292 HB2 ARG 43 2HB ARG 43 13.895 33.796 5.387 293 HB3 ARG 43 3HB ARG 43 12.397 34.504 4.799 294 HG2 ARG 43 2HG ARG 43 12.166 35.545 6.734 295 HG3 ARG 43 3HG ARG 43 12.018 33.981 7.537 296 HD2 ARG 43 2HD ARG 43 14.482 33.882 7.713 297 HD3 ARG 43 3HD ARG 43 14.572 35.491 6.997 298 HE ARG 43 HE ARG 43 12.892 35.448 9.297 299 HH11 ARG 43 1HH1 ARG 43 16.216 35.522 8.265 300 HH12 ARG 43 2HH1 ARG 43 16.782 36.301 9.706 301 HH21 ARG 43 1HH2 ARG 43 13.625 36.473 11.198 302 HH22 ARG 43 2HH2 ARG 43 15.307 36.840 11.374 303 H ASP 44 H ASP 44 11.964 32.083 8.000 304 HA ASP 44 HA ASP 44 14.408 30.877 8.607 305 HB2 ASP 44 2HB ASP 44 13.442 30.285 10.721 306 HB3 ASP 44 3HB ASP 44 12.777 31.848 10.254 307 H GLU 45 H GLU 45 11.340 29.474 7.588 308 HA GLU 45 HA GLU 45 12.093 26.767 8.006 309 HB2 GLU 45 2HB GLU 45 9.734 27.844 7.640 310 HB3 GLU 45 3HB GLU 45 10.082 27.577 5.938 311 HG2 GLU 45 2HG GLU 45 10.563 25.258 7.663 312 HG3 GLU 45 3HG GLU 45 8.883 25.785 7.577 313 H VAL 46 H VAL 46 12.473 29.019 5.358 314 HA VAL 46 HA VAL 46 13.164 27.112 3.370 315 HB VAL 46 HB VAL 46 13.910 30.037 3.508 316 HG11 VAL 46 1HG1 VAL 46 13.906 28.057 1.237 317 HG12 VAL 46 2HG1 VAL 46 14.036 29.803 1.021 318 HG13 VAL 46 3HG1 VAL 46 15.287 28.927 1.903 319 HG21 VAL 46 1HG2 VAL 46 11.416 28.625 2.798 320 HG22 VAL 46 2HG2 VAL 46 11.658 30.252 3.433 321 HG23 VAL 46 3HG2 VAL 46 11.911 29.928 1.718 322 H GLU 47 H GLU 47 15.175 29.359 5.279 323 HA GLU 47 HA GLU 47 17.646 28.361 4.383 324 HB2 GLU 47 2HB GLU 47 18.592 29.511 6.368 325 HB3 GLU 47 3HB GLU 47 17.506 30.530 5.433 326 HG2 GLU 47 2HG GLU 47 16.747 31.015 7.507 327 HG3 GLU 47 3HG GLU 47 15.739 29.608 7.173 328 H ARG 48 H ARG 48 15.621 27.504 7.146 329 HA ARG 48 HA ARG 48 17.437 25.771 8.413 330 HB2 ARG 48 2HB ARG 48 15.396 26.652 9.488 331 HB3 ARG 48 3HB ARG 48 14.416 25.657 8.419 332 HG2 ARG 48 2HG ARG 48 16.336 23.999 9.719 333 HG3 ARG 48 3HG ARG 48 15.504 24.980 10.926 334 HD2 ARG 48 2HD ARG 48 14.175 23.274 8.823 335 HD3 ARG 48 3HD ARG 48 14.358 22.848 10.524 336 HE ARG 48 HE ARG 48 13.065 25.258 10.542 337 HH11 ARG 48 1HH1 ARG 48 12.472 22.136 9.121 338 HH12 ARG 48 2HH1 ARG 48 10.747 22.292 9.178 339 HH21 ARG 48 1HH2 ARG 48 10.796 25.476 10.622 340 HH22 ARG 48 2HH2 ARG 48 9.795 24.193 10.031 341 H THR 49 H THR 49 14.831 25.113 6.086 342 HA THR 49 HA THR 49 15.160 22.333 5.963 343 HB THR 49 HB THR 49 14.104 22.561 3.656 344 HG1 THR 49 HG1 THR 49 14.812 24.701 3.225 345 HG21 THR 49 1HG2 THR 49 12.095 23.941 5.012 346 HG22 THR 49 2HG2 THR 49 13.012 23.120 6.275 347 HG23 THR 49 3HG2 THR 49 12.319 22.194 4.944 348 H VAL 50 H VAL 50 16.618 24.927 4.034 349 HA VAL 50 HA VAL 50 18.008 23.283 2.224 350 HB VAL 50 HB VAL 50 18.734 26.053 3.188 351 HG11 VAL 50 1HG1 VAL 50 19.628 25.792 0.603 352 HG12 VAL 50 2HG1 VAL 50 20.627 25.692 2.054 353 HG13 VAL 50 3HG1 VAL 50 20.001 24.220 1.309 354 HG21 VAL 50 1HG2 VAL 50 17.588 25.786 0.528 355 HG22 VAL 50 2HG2 VAL 50 16.488 25.256 1.801 356 HG23 VAL 50 3HG2 VAL 50 17.160 26.886 1.839 357 H ARG 51 H ARG 51 18.897 24.588 5.384 358 HA ARG 51 HA ARG 51 21.598 23.763 5.340 359 HB2 ARG 51 2HB ARG 51 20.350 25.403 6.940 360 HB3 ARG 51 3HB ARG 51 20.013 23.954 7.878 361 HG2 ARG 51 2HG ARG 51 22.820 24.431 7.057 362 HG3 ARG 51 3HG ARG 51 22.142 25.464 8.317 363 HD2 ARG 51 2HD ARG 51 21.503 22.660 8.718 364 HD3 ARG 51 3HD ARG 51 23.242 22.949 8.662 365 HE ARG 51 HE ARG 51 22.116 24.869 10.338 366 HH11 ARG 51 1HH1 ARG 51 22.558 21.418 10.231 367 HH12 ARG 51 2HH1 ARG 51 22.611 21.240 11.953 368 HH21 ARG 51 1HH2 ARG 51 22.185 24.648 12.607 369 HH22 ARG 51 2HH2 ARG 51 22.398 23.078 13.304 370 H SER 52 H SER 52 18.644 22.217 6.522 371 HA SER 52 HA SER 52 19.893 19.968 7.685 372 HB2 SER 52 2HB SER 52 17.091 20.315 6.595 373 HB3 SER 52 3HB SER 52 17.626 18.928 7.544 374 HG SER 52 HG SER 52 16.653 20.453 8.891 375 H MET 53 H MET 53 18.338 20.409 4.513 376 HA MET 53 HA MET 53 18.891 17.815 3.558 377 HB2 MET 53 2HB MET 53 18.474 20.359 1.978 378 HB3 MET 53 3HB MET 53 18.364 18.723 1.341 379 HG2 MET 53 2HG MET 53 16.369 18.294 2.415 380 HG3 MET 53 3HG MET 53 16.632 19.547 3.625 381 HE1 MET 53 1HE MET 53 14.009 18.903 2.123 382 HE2 MET 53 2HE MET 53 13.514 20.054 0.882 383 HE3 MET 53 3HE MET 53 14.579 18.711 0.465 384 H ASN 54 H ASN 54 20.402 20.870 2.496 385 HA ASN 54 HA ASN 54 22.716 19.404 1.542 386 HB2 ASN 54 2HB ASN 54 21.443 21.690 0.682 387 HB3 ASN 54 3HB ASN 54 22.871 22.331 1.490 388 HD21 ASN 54 1HD2 ASN 54 24.369 22.767 0.052 389 HD22 ASN 54 2HD2 ASN 54 24.809 21.778 -1.294 390 H THR 55 H THR 55 24.011 18.734 3.159 391 HA THR 55 HA THR 55 24.427 19.893 5.627 392 HB THR 55 HB THR 55 25.241 17.673 5.206 393 HG1 THR 55 HG1 THR 55 26.933 17.937 6.476 394 HG21 THR 55 1HG2 THR 55 25.838 18.100 2.803 395 HG22 THR 55 2HG2 THR 55 27.021 17.147 3.699 396 HG23 THR 55 3HG2 THR 55 27.326 18.853 3.374 397 H ASN 56 H ASN 56 26.020 20.592 2.562 398 HA ASN 56 HA ASN 56 27.458 22.802 3.878 399 HB2 ASN 56 2HB ASN 56 28.180 21.218 1.405 400 HB3 ASN 56 3HB ASN 56 29.033 22.669 1.927 401 HD21 ASN 56 1HD2 ASN 56 30.853 21.140 1.914 402 HD22 ASN 56 2HD2 ASN 56 31.152 20.213 3.341 403 H ALA 57 H ALA 57 26.102 24.500 3.634 404 HA ALA 57 HA ALA 57 24.377 24.998 1.510 405 HB1 ALA 57 1HB ALA 57 23.865 26.903 2.597 406 HB2 ALA 57 2HB ALA 57 24.849 26.199 3.881 407 HB3 ALA 57 3HB ALA 57 25.554 27.380 2.777 408 H ASN 58 H ASN 58 25.146 24.856 -0.536 409 HA ASN 58 HA ASN 58 27.268 26.756 -1.286 410 HB2 ASN 58 2HB ASN 58 27.732 24.148 -1.339 411 HB3 ASN 58 3HB ASN 58 26.873 24.256 -2.872 412 HD21 ASN 58 1HD2 ASN 58 29.831 24.466 -1.394 413 HD22 ASN 58 2HD2 ASN 58 30.703 25.286 -2.640 414 H GLY 59 H GLY 59 24.145 26.506 -1.382 415 HA2 GLY 59 2HA GLY 59 22.574 27.552 -2.713 416 HA3 GLY 59 3HA GLY 59 23.871 28.006 -3.810 417 H LEU 60 H LEU 60 23.598 24.676 -3.001 418 HA LEU 60 HA LEU 60 22.014 24.093 -5.387 419 HB2 LEU 60 2HB LEU 60 24.869 23.363 -4.940 420 HB3 LEU 60 3HB LEU 60 23.824 22.230 -5.795 421 HG LEU 60 HG LEU 60 23.321 24.513 -7.166 422 HD11 LEU 60 1HD1 LEU 60 26.269 24.638 -6.609 423 HD12 LEU 60 2HD1 LEU 60 25.100 25.629 -5.737 424 HD13 LEU 60 3HD1 LEU 60 25.265 25.792 -7.485 425 HD21 LEU 60 1HD2 LEU 60 23.927 22.264 -8.030 426 HD22 LEU 60 2HD2 LEU 60 25.622 22.647 -7.726 427 HD23 LEU 60 3HD2 LEU 60 24.701 23.589 -8.899 428 H ILE 61 H ILE 61 20.963 22.107 -5.349 429 HA ILE 61 HA ILE 61 21.134 20.650 -2.791 430 HB ILE 61 HB ILE 61 18.696 21.034 -4.533 431 HG12 ILE 61 2HG1 ILE 61 19.268 22.092 -1.757 432 HG13 ILE 61 3HG1 ILE 61 19.420 23.043 -3.231 433 HG21 ILE 61 1HG2 ILE 61 19.335 19.080 -2.525 434 HG22 ILE 61 2HG2 ILE 61 17.974 20.073 -2.007 435 HG23 ILE 61 3HG2 ILE 61 17.902 19.211 -3.544 436 HD11 ILE 61 1HD1 ILE 61 17.307 23.398 -1.966 437 HD12 ILE 61 2HD1 ILE 61 17.080 22.903 -3.644 438 HD13 ILE 61 3HD1 ILE 61 16.865 21.733 -2.342 439 H GLU 62 H GLU 62 21.526 18.526 -2.871 440 HA GLU 62 HA GLU 62 21.792 17.281 -5.500 441 HB2 GLU 62 2HB GLU 62 22.975 16.841 -2.823 442 HB3 GLU 62 3HB GLU 62 22.702 15.398 -3.790 443 HG2 GLU 62 2HG GLU 62 23.955 17.552 -5.290 444 HG3 GLU 62 3HG GLU 62 24.905 17.026 -3.902 445 H TYR 63 H TYR 63 20.679 15.484 -6.144 446 HA TYR 63 HA TYR 63 18.091 15.078 -5.209 447 HB2 TYR 63 2HB TYR 63 18.082 13.051 -6.609 448 HB3 TYR 63 3HB TYR 63 18.797 14.420 -7.453 449 HD1 TYR 63 HD1 TYR 63 19.400 11.121 -6.024 450 HD2 TYR 63 HD2 TYR 63 21.211 14.490 -7.886 451 HE1 TYR 63 HE1 TYR 63 21.409 9.779 -6.483 452 HE2 TYR 63 HE2 TYR 63 23.225 13.157 -8.352 453 HH TYR 63 HH TYR 63 24.241 10.846 -7.055 454 H GLY 64 H GLY 64 21.085 13.374 -4.427 455 HA2 GLY 64 2HA GLY 64 19.981 11.247 -2.972 456 HA3 GLY 64 3HA GLY 64 21.599 11.895 -2.751 457 H GLU 65 H GLU 65 21.243 14.356 -1.766 458 HA GLU 65 HA GLU 65 20.532 13.869 0.927 459 HB2 GLU 65 2HB GLU 65 21.003 16.494 -0.498 460 HB3 GLU 65 3HB GLU 65 20.920 16.289 1.246 461 HG2 GLU 65 2HG GLU 65 23.004 15.229 -0.637 462 HG3 GLU 65 3HG GLU 65 23.208 16.406 0.659 463 H PHE 66 H PHE 66 18.804 15.186 -1.800 464 HA PHE 66 HA PHE 66 16.716 16.465 -0.412 465 HB2 PHE 66 2HB PHE 66 17.029 16.931 -2.746 466 HB3 PHE 66 3HB PHE 66 16.825 15.235 -3.169 467 HD1 PHE 66 HD1 PHE 66 15.142 18.340 -2.290 468 HD2 PHE 66 HD2 PHE 66 14.617 14.208 -3.168 469 HE1 PHE 66 HE1 PHE 66 12.735 18.722 -2.633 470 HE2 PHE 66 HE2 PHE 66 12.210 14.584 -3.513 471 HZ PHE 66 HZ PHE 66 11.266 16.843 -3.247 472 H GLU 67 H GLU 67 16.727 13.268 -2.001 473 HA GLU 67 HA GLU 67 14.238 12.461 -0.949 474 HB2 GLU 67 2HB GLU 67 14.833 10.228 -1.717 475 HB3 GLU 67 3HB GLU 67 15.262 11.425 -2.931 476 HG2 GLU 67 2HG GLU 67 17.604 11.353 -1.970 477 HG3 GLU 67 3HG GLU 67 17.084 9.922 -1.082 478 H ARG 68 H ARG 68 17.541 12.109 0.206 479 HA ARG 68 HA ARG 68 17.081 10.248 2.250 480 HB2 ARG 68 2HB ARG 68 19.327 10.869 1.480 481 HB3 ARG 68 3HB ARG 68 19.115 12.483 2.146 482 HG2 ARG 68 2HG ARG 68 18.865 11.438 4.398 483 HG3 ARG 68 3HG ARG 68 19.298 9.893 3.663 484 HD2 ARG 68 2HD ARG 68 21.328 11.371 2.758 485 HD3 ARG 68 3HD ARG 68 20.972 12.271 4.232 486 HE ARG 68 HE ARG 68 21.791 10.518 5.466 487 HH11 ARG 68 1HH1 ARG 68 21.318 9.497 2.172 488 HH12 ARG 68 2HH1 ARG 68 22.128 7.981 2.388 489 HH21 ARG 68 1HH2 ARG 68 22.860 8.525 5.763 490 HH22 ARG 68 2HH2 ARG 68 23.004 7.429 4.431 491 H MET 69 H MET 69 16.918 13.788 2.255 492 HA MET 69 HA MET 69 16.312 13.997 5.032 493 HB2 MET 69 2HB MET 69 17.307 15.874 3.886 494 HB3 MET 69 3HB MET 69 15.966 15.946 2.750 495 HG2 MET 69 2HG MET 69 15.814 17.704 4.420 496 HG3 MET 69 3HG MET 69 14.457 16.587 4.537 497 HE1 MET 69 1HE MET 69 17.986 17.319 5.714 498 HE2 MET 69 2HE MET 69 18.036 16.804 7.400 499 HE3 MET 69 3HE MET 69 18.107 15.604 6.108 500 H VAL 70 H VAL 70 14.330 14.290 2.087 501 HA VAL 70 HA VAL 70 11.872 14.779 3.239 502 HB VAL 70 HB VAL 70 12.420 13.071 0.807 503 HG11 VAL 70 1HG1 VAL 70 10.167 12.715 1.574 504 HG12 VAL 70 2HG1 VAL 70 9.905 14.453 1.734 505 HG13 VAL 70 3HG1 VAL 70 10.127 13.736 0.137 506 HG21 VAL 70 1HG2 VAL 70 12.902 14.934 -0.311 507 HG22 VAL 70 2HG2 VAL 70 11.461 15.745 0.303 508 HG23 VAL 70 3HG2 VAL 70 12.955 15.775 1.238 509 H LYS 71 H LYS 71 13.532 11.696 2.801 510 HA LYS 71 HA LYS 71 11.394 10.033 3.600 511 HB2 LYS 71 2HB LYS 71 13.601 9.409 2.416 512 HB3 LYS 71 3HB LYS 71 14.294 9.357 4.031 513 HG2 LYS 71 2HG LYS 71 11.799 7.846 3.708 514 HG3 LYS 71 3HG LYS 71 13.170 7.246 2.771 515 HD2 LYS 71 2HD LYS 71 13.390 7.885 5.701 516 HD3 LYS 71 3HD LYS 71 12.863 6.303 5.121 517 HE2 LYS 71 2HE LYS 71 15.087 6.658 3.631 518 HE3 LYS 71 3HE LYS 71 15.534 7.551 5.084 519 HZ1 LYS 71 1HZ LYS 71 16.167 5.531 5.788 520 HZ2 LYS 71 2HZ LYS 71 15.170 4.702 4.702 521 HZ3 LYS 71 3HZ LYS 71 14.526 5.318 6.140 522 H SER 72 H SER 72 13.832 11.804 5.375 523 HA SER 72 HA SER 72 13.383 10.489 7.874 524 HB2 SER 72 2HB SER 72 15.495 11.706 7.262 525 HB3 SER 72 3HB SER 72 14.603 13.220 7.416 526 HG SER 72 HG SER 72 15.813 12.447 9.325 527 H ARG 73 H ARG 73 12.556 13.754 6.695 528 HA ARG 73 HA ARG 73 10.987 14.505 8.880 529 HB2 ARG 73 2HB ARG 73 9.996 16.184 7.342 530 HB3 ARG 73 3HB ARG 73 11.753 16.145 7.282 531 HG2 ARG 73 2HG ARG 73 11.605 14.754 5.237 532 HG3 ARG 73 3HG ARG 73 9.852 14.950 5.278 533 HD2 ARG 73 2HD ARG 73 10.921 16.535 3.738 534 HD3 ARG 73 3HD ARG 73 10.089 17.354 5.060 535 HE ARG 73 HE ARG 73 12.773 16.986 5.778 536 HH11 ARG 73 1HH1 ARG 73 10.840 18.801 3.521 537 HH12 ARG 73 2HH1 ARG 73 11.957 20.122 3.426 538 HH21 ARG 73 1HH2 ARG 73 14.252 18.719 5.660 539 HH22 ARG 73 2HH2 ARG 73 13.898 20.073 4.642 540 H MET 74 H MET 74 10.101 12.872 5.867 541 HA MET 74 HA MET 74 7.309 12.829 6.391 542 HB2 MET 74 2HB MET 74 9.059 11.220 4.535 543 HB3 MET 74 3HB MET 74 7.314 11.019 4.611 544 HG2 MET 74 2HG MET 74 8.690 13.619 3.987 545 HG3 MET 74 3HG MET 74 8.101 12.486 2.773 546 HE1 MET 74 1HE MET 74 5.884 15.619 2.660 547 HE2 MET 74 2HE MET 74 6.741 15.935 4.169 548 HE3 MET 74 3HE MET 74 7.612 15.284 2.779 549 H ALA 75 H ALA 75 9.967 10.646 7.105 550 HA ALA 75 HA ALA 75 8.601 8.346 7.804 551 HB1 ALA 75 1HB ALA 75 11.214 9.509 8.419 552 HB2 ALA 75 2HB ALA 75 10.614 8.389 9.643 553 HB3 ALA 75 3HB ALA 75 10.781 7.859 7.970 554 H GLN 76 H GLN 76 8.944 11.345 9.569 555 HA GLN 76 HA GLN 76 7.954 10.311 12.051 556 HB2 GLN 76 2HB GLN 76 9.398 12.243 12.087 557 HB3 GLN 76 3HB GLN 76 8.305 13.134 11.037 558 HG2 GLN 76 2HG GLN 76 8.224 13.766 13.453 559 HG3 GLN 76 3HG GLN 76 6.675 13.323 12.738 560 HE21 GLN 76 1HE2 GLN 76 9.336 11.334 13.957 561 HE22 GLN 76 2HE2 GLN 76 8.397 10.488 15.134 562 H LYS 77 H LYS 77 6.575 12.158 9.365 563 HA LYS 77 HA LYS 77 3.972 12.308 10.581 564 HB2 LYS 77 2HB LYS 77 5.239 13.252 8.081 565 HB3 LYS 77 3HB LYS 77 3.513 12.927 7.985 566 HG2 LYS 77 2HG LYS 77 3.519 15.139 8.571 567 HG3 LYS 77 3HG LYS 77 3.413 14.372 10.157 568 HD2 LYS 77 2HD LYS 77 5.764 14.675 10.527 569 HD3 LYS 77 3HD LYS 77 5.998 15.245 8.874 570 HE2 LYS 77 2HE LYS 77 4.375 16.619 11.014 571 HE3 LYS 77 3HE LYS 77 5.978 17.102 10.462 572 HZ1 LYS 77 1HZ LYS 77 3.394 17.511 9.220 573 HZ2 LYS 77 2HZ LYS 77 4.626 17.044 8.159 574 HZ3 LYS 77 3HZ LYS 77 4.809 18.432 9.108 575 H ASP 78 H ASP 78 2.057 11.316 9.772 576 HA ASP 78 HA ASP 78 2.425 8.992 8.032 577 HB2 ASP 78 2HB ASP 78 2.106 8.819 10.857 578 HB3 ASP 78 3HB ASP 78 0.624 8.230 10.109 579 H SER 79 H SER 79 0.179 7.952 7.617 580 HA SER 79 HA SER 79 -1.418 9.817 6.304 581 HB2 SER 79 2HB SER 79 -1.541 6.952 6.891 582 HB3 SER 79 3HB SER 79 -3.132 7.700 6.763 583 HG SER 79 HG SER 79 -2.496 7.069 4.722 584 HA PRO 80 HA PRO 80 -4.162 11.524 9.269 585 HB2 PRO 80 2HB PRO 80 -6.519 11.583 7.923 586 HB3 PRO 80 3HB PRO 80 -5.170 12.660 7.545 587 HG2 PRO 80 2HG PRO 80 -6.008 10.125 6.191 588 HG3 PRO 80 3HG PRO 80 -5.483 11.658 5.470 589 HD2 PRO 80 2HD PRO 80 -3.837 9.521 5.708 590 HD3 PRO 80 3HD PRO 80 -3.250 11.194 5.801 591 H GLU 81 H GLU 81 -5.530 8.683 7.616 592 HA GLU 81 HA GLU 81 -7.386 8.080 9.688 593 HB2 GLU 81 2HB GLU 81 -6.466 6.793 7.185 594 HB3 GLU 81 3HB GLU 81 -7.133 5.720 8.407 595 HG2 GLU 81 2HG GLU 81 -9.213 6.859 8.396 596 HG3 GLU 81 3HG GLU 81 -8.560 8.170 7.415 597 H GLU 82 H GLU 82 -4.128 6.982 8.903 598 HA GLU 82 HA GLU 82 -3.952 4.856 10.712 599 HB2 GLU 82 2HB GLU 82 -2.296 5.847 8.846 600 HB3 GLU 82 3HB GLU 82 -1.531 6.518 10.280 601 HG2 GLU 82 2HG GLU 82 -2.224 3.658 10.404 602 HG3 GLU 82 3HG GLU 82 -0.951 4.105 9.270 603 H VAL 83 H VAL 83 -3.126 8.286 11.122 604 HA VAL 83 HA VAL 83 -2.214 8.075 13.783 605 HB VAL 83 HB VAL 83 -3.424 10.479 12.410 606 HG11 VAL 83 1HG1 VAL 83 -2.200 10.051 15.054 607 HG12 VAL 83 2HG1 VAL 83 -1.632 11.468 14.169 608 HG13 VAL 83 3HG1 VAL 83 -3.351 11.275 14.518 609 HG21 VAL 83 1HG2 VAL 83 -1.082 9.087 11.793 610 HG22 VAL 83 2HG2 VAL 83 -1.541 10.699 11.244 611 HG23 VAL 83 3HG2 VAL 83 -0.558 10.509 12.696 612 H LEU 84 H LEU 84 -5.402 8.587 12.393 613 HA LEU 84 HA LEU 84 -6.747 9.333 14.747 614 HB2 LEU 84 2HB LEU 84 -7.588 8.139 12.141 615 HB3 LEU 84 3HB LEU 84 -8.751 8.269 13.460 616 HG LEU 84 HG LEU 84 -7.244 10.614 12.308 617 HD11 LEU 84 1HD1 LEU 84 -8.756 9.484 10.664 618 HD12 LEU 84 2HD1 LEU 84 -9.183 11.153 11.038 619 HD13 LEU 84 3HD1 LEU 84 -10.097 9.827 11.757 620 HD21 LEU 84 1HD2 LEU 84 -8.527 10.388 14.706 621 HD22 LEU 84 2HD2 LEU 84 -9.810 11.003 13.663 622 HD23 LEU 84 3HD2 LEU 84 -8.295 11.894 13.817 623 H LYS 85 H LYS 85 -6.416 6.152 13.184 624 HA LYS 85 HA LYS 85 -7.816 4.709 15.160 625 HB2 LYS 85 2HB LYS 85 -7.297 3.902 12.843 626 HB3 LYS 85 3HB LYS 85 -5.630 3.667 13.352 627 HG2 LYS 85 2HG LYS 85 -7.623 2.382 15.074 628 HG3 LYS 85 3HG LYS 85 -7.556 1.762 13.423 629 HD2 LYS 85 2HD LYS 85 -5.142 2.083 15.201 630 HD3 LYS 85 3HD LYS 85 -6.057 0.582 15.045 631 HE2 LYS 85 2HE LYS 85 -5.634 1.065 12.461 632 HE3 LYS 85 3HE LYS 85 -4.238 1.917 13.118 633 HZ1 LYS 85 1HZ LYS 85 -4.462 -0.579 14.384 634 HZ2 LYS 85 2HZ LYS 85 -3.216 -0.011 13.391 635 HZ3 LYS 85 3HZ LYS 85 -4.536 -0.823 12.712 636 H ALA 86 H ALA 86 -4.384 5.455 14.747 637 HA ALA 86 HA ALA 86 -3.349 3.862 16.789 638 HB1 ALA 86 1HB ALA 86 -1.372 5.001 16.511 639 HB2 ALA 86 2HB ALA 86 -2.175 5.334 14.976 640 HB3 ALA 86 3HB ALA 86 -2.175 6.550 16.253 641 H PHE 87 H PHE 87 -4.300 7.297 16.918 642 HA PHE 87 HA PHE 87 -3.821 7.657 19.655 643 HB2 PHE 87 2HB PHE 87 -4.461 9.333 17.669 644 HB3 PHE 87 3HB PHE 87 -6.055 9.165 18.397 645 HD1 PHE 87 HD1 PHE 87 -6.593 10.904 19.777 646 HD2 PHE 87 HD2 PHE 87 -2.569 9.520 19.691 647 HE1 PHE 87 HE1 PHE 87 -5.988 12.567 21.486 648 HE2 PHE 87 HE2 PHE 87 -1.958 11.179 21.401 649 HZ PHE 87 HZ PHE 87 -3.668 12.706 22.302 650 H GLN 88 H GLN 88 -6.785 6.755 17.926 651 HA GLN 88 HA GLN 88 -8.565 6.739 20.043 652 HB2 GLN 88 2HB GLN 88 -8.505 5.756 17.364 653 HB3 GLN 88 3HB GLN 88 -9.163 4.496 18.400 654 HG2 GLN 88 2HG GLN 88 -10.422 6.833 19.230 655 HG3 GLN 88 3HG GLN 88 -10.375 6.937 17.471 656 HE21 GLN 88 1HE2 GLN 88 -12.533 6.396 19.527 657 HE22 GLN 88 2HE2 GLN 88 -13.329 4.982 18.935 658 H LEU 89 H LEU 89 -6.493 4.083 18.901 659 HA LEU 89 HA LEU 89 -7.315 2.211 20.842 660 HB2 LEU 89 2HB LEU 89 -6.199 1.510 18.825 661 HB3 LEU 89 3HB LEU 89 -4.759 2.428 19.261 662 HG LEU 89 HG LEU 89 -4.347 0.903 21.127 663 HD11 LEU 89 1HD1 LEU 89 -6.717 -0.649 20.098 664 HD12 LEU 89 2HD1 LEU 89 -6.701 0.321 21.571 665 HD13 LEU 89 3HD1 LEU 89 -5.661 -1.097 21.438 666 HD21 LEU 89 1HD2 LEU 89 -4.804 -0.648 18.585 667 HD22 LEU 89 2HD2 LEU 89 -3.616 -0.975 19.847 668 HD23 LEU 89 3HD2 LEU 89 -3.454 0.460 18.834 669 H PHE 90 H PHE 90 -4.642 4.529 20.757 670 HA PHE 90 HA PHE 90 -3.408 3.723 23.156 671 HB2 PHE 90 2HB PHE 90 -2.873 5.585 21.186 672 HB3 PHE 90 3HB PHE 90 -3.212 6.586 22.594 673 HD1 PHE 90 HD1 PHE 90 -1.932 6.071 24.743 674 HD2 PHE 90 HD2 PHE 90 -0.796 4.582 20.921 675 HE1 PHE 90 HE1 PHE 90 0.344 5.663 25.583 676 HE2 PHE 90 HE2 PHE 90 1.482 4.171 21.755 677 HZ PHE 90 HZ PHE 90 2.054 4.711 24.089 678 H ASP 91 H ASP 91 -6.111 5.836 22.485 679 HA ASP 91 HA ASP 91 -6.820 5.834 25.294 680 HB2 ASP 91 2HB ASP 91 -7.131 8.344 25.290 681 HB3 ASP 91 3HB ASP 91 -5.458 7.792 25.315 682 H LEU 92 H LEU 92 -8.874 5.232 25.279 683 HA LEU 92 HA LEU 92 -10.554 5.368 23.022 684 HB2 LEU 92 2HB LEU 92 -12.358 4.746 24.627 685 HB3 LEU 92 3HB LEU 92 -10.952 3.685 24.646 686 HG LEU 92 HG LEU 92 -10.597 5.701 26.632 687 HD11 LEU 92 1HD1 LEU 92 -13.019 4.134 27.314 688 HD12 LEU 92 2HD1 LEU 92 -13.224 5.554 26.289 689 HD13 LEU 92 3HD1 LEU 92 -12.491 5.717 27.885 690 HD21 LEU 92 1HD2 LEU 92 -11.208 2.764 26.935 691 HD22 LEU 92 2HD2 LEU 92 -10.375 3.806 28.089 692 HD23 LEU 92 3HD2 LEU 92 -9.617 3.418 26.544 693 H ASP 93 H ASP 93 -10.171 7.455 25.826 694 HA ASP 93 HA ASP 93 -12.351 9.176 24.934 695 HB2 ASP 93 2HB ASP 93 -10.621 9.147 27.404 696 HB3 ASP 93 3HB ASP 93 -11.719 10.475 27.041 697 H LYS 94 H LYS 94 -11.845 11.618 25.156 698 HA LYS 94 HA LYS 94 -9.255 12.171 23.863 699 HB2 LYS 94 2HB LYS 94 -10.493 14.046 22.675 700 HB3 LYS 94 3HB LYS 94 -10.861 12.411 22.144 701 HG2 LYS 94 2HG LYS 94 -12.585 13.543 24.262 702 HG3 LYS 94 3HG LYS 94 -12.738 14.233 22.644 703 HD2 LYS 94 2HD LYS 94 -13.538 12.284 21.741 704 HD3 LYS 94 3HD LYS 94 -12.705 11.269 22.921 705 HE2 LYS 94 2HE LYS 94 -14.296 12.053 24.649 706 HE3 LYS 94 3HE LYS 94 -15.159 12.955 23.405 707 HZ1 LYS 94 1HZ LYS 94 -14.961 10.419 22.405 708 HZ2 LYS 94 2HZ LYS 94 -16.337 11.113 23.100 709 HZ3 LYS 94 3HZ LYS 94 -15.293 10.178 24.046 710 H LYS 95 H LYS 95 -8.538 12.597 26.075 711 HA LYS 95 HA LYS 95 -9.660 14.836 27.493 712 HB2 LYS 95 2HB LYS 95 -7.723 14.493 29.028 713 HB3 LYS 95 3HB LYS 95 -8.706 13.053 28.792 714 HG2 LYS 95 2HG LYS 95 -6.692 12.977 26.831 715 HG3 LYS 95 3HG LYS 95 -5.910 13.423 28.349 716 HD2 LYS 95 2HD LYS 95 -7.434 11.461 29.276 717 HD3 LYS 95 3HD LYS 95 -7.332 10.922 27.599 718 HE2 LYS 95 2HE LYS 95 -4.793 11.756 28.847 719 HE3 LYS 95 3HE LYS 95 -5.524 10.290 29.496 720 HZ1 LYS 95 1HZ LYS 95 -4.141 9.586 27.766 721 HZ2 LYS 95 2HZ LYS 95 -4.643 10.818 26.723 722 HZ3 LYS 95 3HZ LYS 95 -5.695 9.547 27.098 723 H GLY 96 H GLY 96 -6.988 14.271 25.303 724 HA2 GLY 96 2HA GLY 96 -5.693 15.768 24.128 725 HA3 GLY 96 3HA GLY 96 -6.736 17.049 24.728 726 H LYS 97 H LYS 97 -5.377 15.077 27.151 727 HA LYS 97 HA LYS 97 -3.364 17.154 27.719 728 HB2 LYS 97 2HB LYS 97 -5.481 16.127 29.328 729 HB3 LYS 97 3HB LYS 97 -3.957 15.637 30.057 730 HG2 LYS 97 2HG LYS 97 -3.752 17.651 30.940 731 HG3 LYS 97 3HG LYS 97 -3.687 18.347 29.319 732 HD2 LYS 97 2HD LYS 97 -5.489 19.472 30.190 733 HD3 LYS 97 3HD LYS 97 -6.298 18.088 29.451 734 HE2 LYS 97 2HE LYS 97 -6.127 16.950 31.701 735 HE3 LYS 97 3HE LYS 97 -5.621 18.508 32.355 736 HZ1 LYS 97 1HZ LYS 97 -7.730 19.118 32.479 737 HZ2 LYS 97 2HZ LYS 97 -8.216 17.602 31.909 738 HZ3 LYS 97 3HZ LYS 97 -7.948 18.868 30.820 739 H ILE 98 H ILE 98 -1.524 16.294 26.903 740 HA ILE 98 HA ILE 98 -0.615 13.772 28.100 741 HB ILE 98 HB ILE 98 -0.230 14.475 25.188 742 HG12 ILE 98 2HG1 ILE 98 -1.592 12.073 25.328 743 HG13 ILE 98 3HG1 ILE 98 -2.342 13.029 26.602 744 HG21 ILE 98 1HG2 ILE 98 0.659 12.154 25.056 745 HG22 ILE 98 2HG2 ILE 98 1.647 13.245 26.026 746 HG23 ILE 98 3HG2 ILE 98 0.589 12.076 26.816 747 HD11 ILE 98 1HD1 ILE 98 -3.521 13.242 24.479 748 HD12 ILE 98 2HD1 ILE 98 -2.848 14.785 25.007 749 HD13 ILE 98 3HD1 ILE 98 -2.053 13.867 23.727 750 H SER 99 H SER 99 1.389 13.867 28.902 751 HA SER 99 HA SER 99 2.817 16.329 28.893 752 HB2 SER 99 2HB SER 99 3.442 13.579 29.961 753 HB3 SER 99 3HB SER 99 4.591 14.912 30.085 754 HG SER 99 HG SER 99 2.043 14.650 31.265 755 H PHE 100 H PHE 100 4.382 17.027 27.587 756 HA PHE 100 HA PHE 100 4.978 15.830 25.156 757 HB2 PHE 100 2HB PHE 100 6.764 17.468 24.942 758 HB3 PHE 100 3HB PHE 100 5.349 18.224 25.668 759 HD1 PHE 100 HD1 PHE 100 8.794 17.162 26.188 760 HD2 PHE 100 HD2 PHE 100 5.355 18.888 28.007 761 HE1 PHE 100 HE1 PHE 100 10.180 17.932 28.070 762 HE2 PHE 100 HE2 PHE 100 6.735 19.661 29.891 763 HZ PHE 100 HZ PHE 100 9.151 19.185 29.924 764 H ALA 101 H ALA 101 6.586 15.542 28.265 765 HA ALA 101 HA ALA 101 8.956 14.312 27.466 766 HB1 ALA 101 1HB ALA 101 8.405 13.121 29.874 767 HB2 ALA 101 2HB ALA 101 9.193 14.685 29.657 768 HB3 ALA 101 3HB ALA 101 7.455 14.606 29.950 769 H ASN 102 H ASN 102 5.933 12.760 28.555 770 HA ASN 102 HA ASN 102 6.703 10.121 28.153 771 HB2 ASN 102 2HB ASN 102 4.148 11.566 28.433 772 HB3 ASN 102 3HB ASN 102 4.037 10.024 27.591 773 HD21 ASN 102 1HD2 ASN 102 3.667 8.346 28.830 774 HD22 ASN 102 2HD2 ASN 102 4.087 8.194 30.499 775 H LEU 103 H LEU 103 5.177 12.390 25.897 776 HA LEU 103 HA LEU 103 4.776 10.648 23.760 777 HB2 LEU 103 2HB LEU 103 3.779 12.791 23.684 778 HB3 LEU 103 3HB LEU 103 5.334 13.599 23.870 779 HG LEU 103 HG LEU 103 5.959 12.821 21.601 780 HD11 LEU 103 1HD1 LEU 103 3.847 12.159 20.214 781 HD12 LEU 103 2HD1 LEU 103 3.248 11.593 21.772 782 HD13 LEU 103 3HD1 LEU 103 4.744 10.935 21.112 783 HD21 LEU 103 1HD2 LEU 103 5.096 14.691 20.718 784 HD22 LEU 103 2HD2 LEU 103 4.416 14.950 22.325 785 HD23 LEU 103 3HD2 LEU 103 3.436 14.205 21.062 786 H LYS 104 H LYS 104 7.592 12.672 24.526 787 HA LYS 104 HA LYS 104 9.137 12.007 22.286 788 HB2 LYS 104 2HB LYS 104 9.553 13.849 23.995 789 HB3 LYS 104 3HB LYS 104 10.254 12.605 25.023 790 HG2 LYS 104 2HG LYS 104 11.329 12.618 22.310 791 HG3 LYS 104 3HG LYS 104 11.614 14.116 23.199 792 HD2 LYS 104 2HD LYS 104 12.118 11.560 24.621 793 HD3 LYS 104 3HD LYS 104 13.258 12.028 23.358 794 HE2 LYS 104 2HE LYS 104 12.455 14.064 25.374 795 HE3 LYS 104 3HE LYS 104 13.577 12.796 25.864 796 HZ1 LYS 104 1HZ LYS 104 14.121 15.120 24.403 797 HZ2 LYS 104 2HZ LYS 104 14.415 13.796 23.391 798 HZ3 LYS 104 3HZ LYS 104 15.200 13.910 24.885 799 H GLU 105 H GLU 105 9.125 10.587 25.551 800 HA GLU 105 HA GLU 105 11.098 8.680 25.198 801 HB2 GLU 105 2HB GLU 105 10.114 9.132 27.373 802 HB3 GLU 105 3HB GLU 105 8.565 8.496 26.836 803 HG2 GLU 105 2HG GLU 105 9.199 6.350 27.092 804 HG3 GLU 105 3HG GLU 105 10.863 6.668 26.605 805 H VAL 106 H VAL 106 7.592 8.270 24.706 806 HA VAL 106 HA VAL 106 7.647 5.639 23.795 807 HB VAL 106 HB VAL 106 5.732 7.816 22.944 808 HG11 VAL 106 1HG1 VAL 106 5.282 6.098 21.478 809 HG12 VAL 106 2HG1 VAL 106 5.743 4.847 22.633 810 HG13 VAL 106 3HG1 VAL 106 4.210 5.699 22.820 811 HG21 VAL 106 1HG2 VAL 106 4.852 7.755 24.983 812 HG22 VAL 106 2HG2 VAL 106 4.692 6.000 24.903 813 HG23 VAL 106 3HG2 VAL 106 6.188 6.723 25.494 814 H ALA 107 H ALA 107 8.002 8.673 22.010 815 HA ALA 107 HA ALA 107 7.957 7.672 19.414 816 HB1 ALA 107 1HB ALA 107 7.976 10.093 20.148 817 HB2 ALA 107 2HB ALA 107 9.726 9.936 20.300 818 HB3 ALA 107 3HB ALA 107 8.953 9.700 18.733 819 H LYS 108 H LYS 108 10.814 8.311 21.455 820 HA LYS 108 HA LYS 108 12.699 7.224 19.684 821 HB2 LYS 108 2HB LYS 108 12.848 7.397 22.700 822 HB3 LYS 108 3HB LYS 108 14.212 7.163 21.614 823 HG2 LYS 108 2HG LYS 108 12.429 9.581 21.521 824 HG3 LYS 108 3HG LYS 108 13.904 9.493 22.488 825 HD2 LYS 108 2HD LYS 108 15.169 8.979 20.415 826 HD3 LYS 108 3HD LYS 108 13.684 9.215 19.490 827 HE2 LYS 108 2HE LYS 108 14.791 11.266 19.329 828 HE3 LYS 108 3HE LYS 108 13.591 11.525 20.595 829 HZ1 LYS 108 1HZ LYS 108 15.357 12.317 21.706 830 HZ2 LYS 108 2HZ LYS 108 16.484 11.474 20.769 831 HZ3 LYS 108 3HZ LYS 108 15.675 10.687 22.030 832 H LEU 109 H LEU 109 10.763 5.756 22.232 833 HA LEU 109 HA LEU 109 12.041 3.276 22.384 834 HB2 LEU 109 2HB LEU 109 10.369 4.010 23.991 835 HB3 LEU 109 3HB LEU 109 9.123 3.945 22.746 836 HG LEU 109 HG LEU 109 10.524 1.407 23.156 837 HD11 LEU 109 1HD1 LEU 109 10.618 1.840 25.428 838 HD12 LEU 109 2HD1 LEU 109 9.063 1.027 25.256 839 HD13 LEU 109 3HD1 LEU 109 9.126 2.782 25.415 840 HD21 LEU 109 1HD2 LEU 109 7.765 2.425 22.721 841 HD22 LEU 109 2HD2 LEU 109 7.963 0.831 23.451 842 HD23 LEU 109 3HD2 LEU 109 8.657 1.168 21.864 843 H LEU 110 H LEU 110 9.723 4.535 20.083 844 HA LEU 110 HA LEU 110 9.061 2.056 18.868 845 HB2 LEU 110 2HB LEU 110 8.902 4.896 17.881 846 HB3 LEU 110 3HB LEU 110 8.303 3.514 16.965 847 HG LEU 110 HG LEU 110 7.298 4.217 19.716 848 HD11 LEU 110 1HD1 LEU 110 5.319 5.141 18.474 849 HD12 LEU 110 2HD1 LEU 110 6.313 5.114 17.018 850 HD13 LEU 110 3HD1 LEU 110 6.787 6.115 18.390 851 HD21 LEU 110 1HD2 LEU 110 6.947 1.908 18.929 852 HD22 LEU 110 2HD2 LEU 110 6.117 2.537 17.506 853 HD23 LEU 110 3HD2 LEU 110 5.435 2.797 19.112 854 H GLY 111 H GLY 111 11.855 3.982 18.778 855 HA2 GLY 111 2HA GLY 111 13.882 3.356 17.778 856 HA3 GLY 111 3HA GLY 111 13.000 2.251 16.733 857 H GLU 112 H GLU 112 11.777 5.453 16.996 858 HA GLU 112 HA GLU 112 12.581 5.958 14.231 859 HB2 GLU 112 2HB GLU 112 10.162 6.161 15.158 860 HB3 GLU 112 3HB GLU 112 10.714 7.695 15.816 861 HG2 GLU 112 2HG GLU 112 10.415 8.683 13.865 862 HG3 GLU 112 3HG GLU 112 11.491 7.530 13.079 863 H ASN 113 H ASN 113 13.983 7.507 13.651 864 HA ASN 113 HA ASN 113 14.956 9.328 15.755 865 HB2 ASN 113 2HB ASN 113 16.572 7.524 15.018 866 HB3 ASN 113 3HB ASN 113 16.595 8.296 13.436 867 HD21 ASN 113 1HD2 ASN 113 18.533 9.191 13.284 868 HD22 ASN 113 2HD2 ASN 113 19.236 10.266 14.439 869 HA PRO 114 HA PRO 114 13.198 11.790 12.202 870 HB2 PRO 114 2HB PRO 114 11.676 13.415 13.755 871 HB3 PRO 114 3HB PRO 114 11.103 11.859 13.143 872 HG2 PRO 114 2HG PRO 114 12.195 12.546 15.844 873 HG3 PRO 114 3HG PRO 114 10.801 11.533 15.425 874 HD2 PRO 114 2HD PRO 114 13.211 10.493 16.090 875 HD3 PRO 114 3HD PRO 114 12.118 9.706 14.934 876 H GLY 115 H GLY 115 13.213 14.252 12.027 877 HA2 GLY 115 2HA GLY 115 15.798 15.183 12.841 878 HA3 GLY 115 3HA GLY 115 14.607 16.089 11.920 879 H ASP 116 H ASP 116 16.369 16.547 14.429 880 HA ASP 116 HA ASP 116 14.817 16.917 16.684 881 HB2 ASP 116 2HB ASP 116 17.272 17.207 16.614 882 HB3 ASP 116 3HB ASP 116 17.055 18.711 15.724 883 H ASP 117 H ASP 117 15.153 18.991 13.857 884 HA ASP 117 HA ASP 117 13.836 21.260 14.816 885 HB2 ASP 117 2HB ASP 117 13.557 21.905 12.520 886 HB3 ASP 117 3HB ASP 117 15.110 21.086 12.660 887 H VAL 118 H VAL 118 12.577 18.272 13.448 888 HA VAL 118 HA VAL 118 9.881 19.144 13.223 889 HB VAL 118 HB VAL 118 10.885 16.310 13.514 890 HG11 VAL 118 1HG1 VAL 118 8.272 17.403 13.333 891 HG12 VAL 118 2HG1 VAL 118 8.617 16.553 11.825 892 HG13 VAL 118 3HG1 VAL 118 8.755 15.708 13.368 893 HG21 VAL 118 1HG2 VAL 118 12.016 17.467 11.680 894 HG22 VAL 118 2HG2 VAL 118 10.907 16.237 11.074 895 HG23 VAL 118 3HG2 VAL 118 10.454 17.940 11.011 896 H LEU 119 H LEU 119 11.784 17.764 15.804 897 HA LEU 119 HA LEU 119 9.595 17.037 17.475 898 HB2 LEU 119 2HB LEU 119 12.182 16.412 17.502 899 HB3 LEU 119 3HB LEU 119 12.224 17.742 18.657 900 HG LEU 119 HG LEU 119 12.056 15.679 19.861 901 HD11 LEU 119 1HD1 LEU 119 10.696 17.695 20.570 902 HD12 LEU 119 2HD1 LEU 119 10.197 16.138 21.230 903 HD13 LEU 119 3HD1 LEU 119 9.294 16.861 19.899 904 HD21 LEU 119 1HD2 LEU 119 9.410 14.981 18.720 905 HD22 LEU 119 2HD2 LEU 119 10.676 13.939 19.370 906 HD23 LEU 119 3HD2 LEU 119 10.838 14.619 17.750 907 H GLN 120 H GLN 120 11.925 19.734 17.660 908 HA GLN 120 HA GLN 120 10.651 21.090 19.755 909 HB2 GLN 120 2HB GLN 120 12.237 22.420 17.564 910 HB3 GLN 120 3HB GLN 120 12.052 22.945 19.232 911 HG2 GLN 120 2HG GLN 120 13.689 20.691 18.142 912 HG3 GLN 120 3HG GLN 120 14.197 22.053 19.139 913 HE21 GLN 120 1HE2 GLN 120 14.066 18.930 19.290 914 HE22 GLN 120 2HE2 GLN 120 13.569 18.662 20.923 915 H GLU 121 H GLU 121 10.337 21.437 16.241 916 HA GLU 121 HA GLU 121 8.566 23.620 16.269 917 HB2 GLU 121 2HB GLU 121 9.110 21.451 14.256 918 HB3 GLU 121 3HB GLU 121 7.903 22.694 13.964 919 HG2 GLU 121 2HG GLU 121 10.522 23.701 14.809 920 HG3 GLU 121 3HG GLU 121 10.509 22.870 13.255 921 H MET 122 H MET 122 7.969 20.123 16.175 922 HA MET 122 HA MET 122 5.196 20.184 15.936 923 HB2 MET 122 2HB MET 122 6.482 18.129 15.694 924 HB3 MET 122 3HB MET 122 6.935 18.186 17.393 925 HG2 MET 122 2HG MET 122 5.025 17.252 18.050 926 HG3 MET 122 3HG MET 122 4.058 18.260 16.977 927 HE1 MET 122 1HE MET 122 3.082 14.596 16.678 928 HE2 MET 122 2HE MET 122 2.756 16.193 17.352 929 HE3 MET 122 3HE MET 122 2.337 15.841 15.675 930 H ILE 123 H ILE 123 7.136 19.922 18.918 931 HA ILE 123 HA ILE 123 5.005 20.028 20.721 932 HB ILE 123 HB ILE 123 7.831 21.015 21.124 933 HG12 ILE 123 2HG1 ILE 123 7.663 18.642 20.437 934 HG13 ILE 123 3HG1 ILE 123 8.256 18.819 22.085 935 HG21 ILE 123 1HG2 ILE 123 6.619 21.940 22.885 936 HG22 ILE 123 2HG2 ILE 123 5.560 20.537 23.018 937 HG23 ILE 123 3HG2 ILE 123 7.236 20.430 23.556 938 HD11 ILE 123 1HD1 ILE 123 6.098 17.274 21.172 939 HD12 ILE 123 2HD1 ILE 123 6.636 17.521 22.834 940 HD13 ILE 123 3HD1 ILE 123 5.415 18.584 22.134 941 H ALA 124 H ALA 124 6.862 22.608 19.196 942 HA ALA 124 HA ALA 124 5.909 24.766 20.703 943 HB1 ALA 124 1HB ALA 124 6.741 26.171 18.993 944 HB2 ALA 124 2HB ALA 124 7.814 24.772 19.046 945 HB3 ALA 124 3HB ALA 124 6.596 24.901 17.778 946 H GLU 125 H GLU 125 4.683 23.386 17.660 947 HA GLU 125 HA GLU 125 2.529 25.176 17.362 948 HB2 GLU 125 2HB GLU 125 2.946 22.372 16.323 949 HB3 GLU 125 3HB GLU 125 1.589 23.387 15.857 950 HG2 GLU 125 2HG GLU 125 3.646 25.056 15.346 951 HG3 GLU 125 3HG GLU 125 4.405 23.496 15.033 952 H ALA 126 H ALA 126 2.562 21.820 18.567 953 HA ALA 126 HA ALA 126 -0.121 21.684 19.313 954 HB1 ALA 126 1HB ALA 126 2.232 20.268 20.562 955 HB2 ALA 126 2HB ALA 126 0.537 19.810 20.740 956 HB3 ALA 126 3HB ALA 126 1.314 19.719 19.159 957 H ASP 127 H ASP 127 2.622 23.109 20.932 958 HA ASP 127 HA ASP 127 1.510 23.312 23.519 959 HB2 ASP 127 2HB ASP 127 3.901 23.595 23.129 960 HB3 ASP 127 3HB ASP 127 3.594 25.034 22.160 961 H GLU 128 H GLU 128 1.107 25.183 20.617 962 HA GLU 128 HA GLU 128 0.158 27.583 21.682 963 HB2 GLU 128 2HB GLU 128 0.571 26.627 19.166 964 HB3 GLU 128 3HB GLU 128 -1.186 26.645 19.231 965 HG2 GLU 128 2HG GLU 128 -1.145 28.800 18.760 966 HG3 GLU 128 3HG GLU 128 -0.342 29.096 20.301 967 H ASP 129 H ASP 129 -1.341 24.472 21.412 968 HA ASP 129 HA ASP 129 -4.044 25.234 21.577 969 HB2 ASP 129 2HB ASP 129 -3.581 22.993 20.951 970 HB3 ASP 129 3HB ASP 129 -2.585 22.720 22.379 971 H GLY 130 H GLY 130 -1.558 24.817 24.016 972 HA2 GLY 130 2HA GLY 130 -3.302 26.128 25.956 973 HA3 GLY 130 3HA GLY 130 -2.712 24.528 26.380 974 H ASP 131 H ASP 131 -1.315 24.925 27.995 975 HA ASP 131 HA ASP 131 0.966 26.676 27.378 976 HB2 ASP 131 2HB ASP 131 -0.942 26.907 29.568 977 HB3 ASP 131 3HB ASP 131 0.718 26.782 30.143 978 H GLY 132 H GLY 132 2.237 24.891 26.831 979 HA2 GLY 132 2HA GLY 132 3.960 23.451 27.444 980 HA3 GLY 132 3HA GLY 132 3.397 23.528 29.107 981 H GLU 133 H GLU 133 1.096 22.800 26.640 982 HA GLU 133 HA GLU 133 1.208 19.950 27.378 983 HB2 GLU 133 2HB GLU 133 -1.198 21.745 27.091 984 HB3 GLU 133 3HB GLU 133 -1.319 19.991 27.055 985 HG2 GLU 133 2HG GLU 133 -0.851 19.768 29.275 986 HG3 GLU 133 3HG GLU 133 0.099 21.252 29.338 987 H VAL 134 H VAL 134 0.862 18.464 25.769 988 HA VAL 134 HA VAL 134 0.888 19.538 23.037 989 HB VAL 134 HB VAL 134 1.597 16.749 23.954 990 HG11 VAL 134 1HG1 VAL 134 1.063 17.816 21.393 991 HG12 VAL 134 2HG1 VAL 134 2.801 17.528 21.491 992 HG13 VAL 134 3HG1 VAL 134 1.669 16.212 21.803 993 HG21 VAL 134 1HG2 VAL 134 3.908 17.383 23.753 994 HG22 VAL 134 2HG2 VAL 134 3.461 18.999 23.205 995 HG23 VAL 134 3HG2 VAL 134 3.109 18.500 24.860 996 H SER 135 H SER 135 -1.099 19.671 22.207 997 HA SER 135 HA SER 135 -3.003 17.494 22.739 998 HB2 SER 135 2HB SER 135 -4.063 19.483 23.355 999 HB3 SER 135 3HB SER 135 -3.348 20.391 22.024 1000 HG SER 135 HG SER 135 -5.679 19.020 22.108 1001 H PHE 136 H PHE 136 -2.634 15.971 21.221 1002 HA PHE 136 HA PHE 136 -1.768 16.374 18.607 1003 HB2 PHE 136 2HB PHE 136 -2.640 14.174 20.199 1004 HB3 PHE 136 3HB PHE 136 -3.466 14.087 18.646 1005 HD1 PHE 136 HD1 PHE 136 -2.358 13.317 16.741 1006 HD2 PHE 136 HD2 PHE 136 -0.118 14.352 20.209 1007 HE1 PHE 136 HE1 PHE 136 -0.338 12.354 15.719 1008 HE2 PHE 136 HE2 PHE 136 1.906 13.391 19.193 1009 HZ PHE 136 HZ PHE 136 1.798 12.391 16.945 1010 H GLU 137 H GLU 137 -4.957 16.588 19.994 1011 HA GLU 137 HA GLU 137 -6.570 16.336 17.761 1012 HB2 GLU 137 2HB GLU 137 -7.298 16.647 20.163 1013 HB3 GLU 137 3HB GLU 137 -7.008 18.368 19.949 1014 HG2 GLU 137 2HG GLU 137 -8.612 17.636 17.795 1015 HG3 GLU 137 3HG GLU 137 -9.280 16.777 19.181 1016 H GLU 138 H GLU 138 -4.703 19.116 18.863 1017 HA GLU 138 HA GLU 138 -5.744 20.998 17.042 1018 HB2 GLU 138 2HB GLU 138 -3.996 21.101 19.140 1019 HB3 GLU 138 3HB GLU 138 -2.913 21.326 17.774 1020 HG2 GLU 138 2HG GLU 138 -5.345 22.944 17.650 1021 HG3 GLU 138 3HG GLU 138 -4.300 23.302 19.024 1022 H PHE 139 H PHE 139 -2.818 18.978 16.897 1023 HA PHE 139 HA PHE 139 -1.878 19.843 14.422 1024 HB2 PHE 139 2HB PHE 139 -1.130 17.926 16.298 1025 HB3 PHE 139 3HB PHE 139 -1.437 16.999 14.833 1026 HD1 PHE 139 HD1 PHE 139 0.481 19.865 16.183 1027 HD2 PHE 139 HD2 PHE 139 0.113 16.972 13.083 1028 HE1 PHE 139 HE1 PHE 139 2.690 20.517 15.317 1029 HE2 PHE 139 HE2 PHE 139 2.321 17.619 12.212 1030 HZ PHE 139 HZ PHE 139 3.613 19.393 13.329 1031 H LYS 140 H LYS 140 -3.868 16.972 15.130 1032 HA LYS 140 HA LYS 140 -4.267 16.112 12.527 1033 HB2 LYS 140 2HB LYS 140 -4.919 14.888 14.615 1034 HB3 LYS 140 3HB LYS 140 -6.303 15.964 14.756 1035 HG2 LYS 140 2HG LYS 140 -6.960 13.855 13.771 1036 HG3 LYS 140 3HG LYS 140 -7.140 15.163 12.599 1037 HD2 LYS 140 2HD LYS 140 -4.511 14.109 12.357 1038 HD3 LYS 140 3HD LYS 140 -5.647 12.758 12.358 1039 HE2 LYS 140 2HE LYS 140 -5.857 15.197 10.595 1040 HE3 LYS 140 3HE LYS 140 -5.186 13.645 10.094 1041 HZ1 LYS 140 1HZ LYS 140 -7.844 13.564 11.263 1042 HZ2 LYS 140 2HZ LYS 140 -7.215 12.717 9.941 1043 HZ3 LYS 140 3HZ LYS 140 -7.731 14.317 9.752 1044 H SER 141 H SER 141 -6.267 18.348 14.438 1045 HA SER 141 HA SER 141 -8.273 18.827 12.595 1046 HB2 SER 141 2HB SER 141 -8.443 19.681 14.848 1047 HB3 SER 141 3HB SER 141 -7.033 20.713 14.610 1048 HG SER 141 HG SER 141 -9.305 21.608 14.357 1049 H VAL 142 H VAL 142 -5.212 20.597 12.995 1050 HA VAL 142 HA VAL 142 -5.579 22.434 10.921 1051 HB VAL 142 HB VAL 142 -2.969 21.266 11.898 1052 HG11 VAL 142 1HG1 VAL 142 -2.461 23.835 11.151 1053 HG12 VAL 142 2HG1 VAL 142 -2.153 22.414 10.151 1054 HG13 VAL 142 3HG1 VAL 142 -3.640 23.338 9.938 1055 HG21 VAL 142 1HG2 VAL 142 -4.862 22.798 13.280 1056 HG22 VAL 142 2HG2 VAL 142 -3.201 22.454 13.763 1057 HG23 VAL 142 3HG2 VAL 142 -3.568 23.913 12.844 1058 H MET 143 H MET 143 -4.223 19.171 10.900 1059 HA MET 143 HA MET 143 -3.251 19.161 8.272 1060 HB2 MET 143 2HB MET 143 -2.829 17.438 10.082 1061 HB3 MET 143 3HB MET 143 -4.413 16.773 9.705 1062 HG2 MET 143 2HG MET 143 -3.749 16.040 7.608 1063 HG3 MET 143 3HG MET 143 -2.363 17.127 7.560 1064 HE1 MET 143 1HE MET 143 0.260 14.914 7.842 1065 HE2 MET 143 2HE MET 143 -0.978 14.072 6.908 1066 HE3 MET 143 3HE MET 143 -0.829 15.827 6.797 1067 H MET 144 H MET 144 -6.404 18.132 9.557 1068 HA MET 144 HA MET 144 -7.510 17.335 7.100 1069 HB2 MET 144 2HB MET 144 -8.333 17.087 9.617 1070 HB3 MET 144 3HB MET 144 -9.274 18.511 9.194 1071 HG2 MET 144 2HG MET 144 -10.059 17.171 7.169 1072 HG3 MET 144 3HG MET 144 -9.396 15.767 8.001 1073 HE1 MET 144 1HE MET 144 -11.535 18.902 9.724 1074 HE2 MET 144 2HE MET 144 -11.736 18.676 7.986 1075 HE3 MET 144 3HE MET 144 -13.049 18.258 9.088 1076 H GLN 145 H GLN 145 -7.499 20.448 8.773 1077 HA GLN 145 HA GLN 145 -9.268 21.812 7.084 1078 HB2 GLN 145 2HB GLN 145 -8.206 22.523 9.348 1079 HB3 GLN 145 3HB GLN 145 -6.909 23.167 8.351 1080 HG2 GLN 145 2HG GLN 145 -8.930 24.293 7.079 1081 HG3 GLN 145 3HG GLN 145 -9.715 24.079 8.643 1082 HE21 GLN 145 1HE2 GLN 145 -7.089 25.617 6.938 1083 HE22 GLN 145 2HE2 GLN 145 -6.748 26.812 8.138 1084 H MET 146 H MET 146 -5.723 21.559 6.967 1085 HA MET 146 HA MET 146 -5.364 23.155 4.681 1086 HB2 MET 146 2HB MET 146 -3.739 21.218 6.214 1087 HB3 MET 146 3HB MET 146 -3.250 21.469 4.544 1088 HG2 MET 146 2HG MET 146 -3.777 23.884 6.165 1089 HG3 MET 146 3HG MET 146 -2.341 22.944 6.562 1090 HE1 MET 146 1HE MET 146 -3.001 26.016 3.580 1091 HE2 MET 146 2HE MET 146 -3.831 24.641 2.851 1092 HE3 MET 146 3HE MET 146 -4.228 25.140 4.496 1093 H ARG 147 H ARG 147 -5.847 19.670 5.065 1094 HA ARG 147 HA ARG 147 -5.438 18.921 2.399 1095 HB2 ARG 147 2HB ARG 147 -7.069 17.721 4.626 1096 HB3 ARG 147 3HB ARG 147 -7.004 16.983 3.031 1097 HG2 ARG 147 2HG ARG 147 -4.529 17.601 4.611 1098 HG3 ARG 147 3HG ARG 147 -5.412 16.083 4.784 1099 HD2 ARG 147 2HD ARG 147 -4.190 17.170 2.249 1100 HD3 ARG 147 3HD ARG 147 -3.577 15.827 3.213 1101 HE ARG 147 HE ARG 147 -5.756 15.766 1.335 1102 HH11 ARG 147 1HH1 ARG 147 -4.314 14.243 4.114 1103 HH12 ARG 147 2HH1 ARG 147 -5.045 12.702 3.811 1104 HH21 ARG 147 1HH2 ARG 147 -6.725 13.741 0.927 1105 HH22 ARG 147 2HH2 ARG 147 -6.415 12.417 1.998 1106 H GLY 148 H GLY 148 -8.363 19.995 4.084 1107 HA2 GLY 148 2HA GLY 148 -10.154 19.561 1.941 1108 HA3 GLY 148 3HA GLY 148 -10.420 20.646 3.298 1109 H LYS 149 H LYS 149 -8.584 22.565 3.046 1110 HA LYS 149 HA LYS 149 -9.599 24.219 1.034 1111 HB2 LYS 149 2HB LYS 149 -6.981 24.441 2.532 1112 HB3 LYS 149 3HB LYS 149 -7.722 25.731 1.593 1113 HG2 LYS 149 2HG LYS 149 -9.650 24.767 3.439 1114 HG3 LYS 149 3HG LYS 149 -8.141 25.055 4.309 1115 HD2 LYS 149 2HD LYS 149 -8.096 27.316 3.716 1116 HD3 LYS 149 3HD LYS 149 -9.243 27.086 2.394 1117 HE2 LYS 149 2HE LYS 149 -11.052 27.133 3.776 1118 HE3 LYS 149 3HE LYS 149 -10.171 26.433 5.133 1119 HZ1 LYS 149 1HZ LYS 149 -9.878 28.451 5.954 1120 HZ2 LYS 149 2HZ LYS 149 -10.766 29.117 4.678 1121 HZ3 LYS 149 3HZ LYS 149 -9.087 28.956 4.546 Start of MODEL 8 1 H1 MET 1 H MET 1 -1.073 -0.559 -1.837 2 HA MET 1 HA MET 1 -0.062 -0.422 -3.872 3 HB2 MET 1 2HB MET 1 -2.558 1.144 -4.336 4 HB3 MET 1 3HB MET 1 -1.276 1.248 -5.535 5 HG2 MET 1 2HG MET 1 -1.347 -1.367 -5.374 6 HG3 MET 1 3HG MET 1 -2.973 -1.067 -4.766 7 HE1 MET 1 1HE MET 1 -5.003 0.317 -7.252 8 HE2 MET 1 2HE MET 1 -4.248 0.859 -5.754 9 HE3 MET 1 3HE MET 1 -3.843 1.645 -7.281 10 H ALA 2 H ALA 2 -1.314 2.897 -3.553 11 HA ALA 2 HA ALA 2 1.459 3.842 -3.279 12 HB1 ALA 2 1HB ALA 2 0.392 4.071 -5.630 13 HB2 ALA 2 2HB ALA 2 -0.514 5.398 -4.901 14 HB3 ALA 2 3HB ALA 2 1.249 5.446 -4.932 15 H ALA 3 H ALA 3 1.756 5.683 -2.031 16 HA ALA 3 HA ALA 3 -0.556 6.425 -0.375 17 HB1 ALA 3 1HB ALA 3 2.351 6.898 0.251 18 HB2 ALA 3 2HB ALA 3 0.975 7.022 1.348 19 HB3 ALA 3 3HB ALA 3 1.470 5.447 0.729 20 H LEU 4 H LEU 4 -0.811 8.652 0.261 21 HA LEU 4 HA LEU 4 -0.718 10.451 -1.878 22 HB2 LEU 4 2HB LEU 4 -1.385 12.148 -0.274 23 HB3 LEU 4 3HB LEU 4 -2.291 10.655 -0.032 24 HG LEU 4 HG LEU 4 -0.293 10.310 1.756 25 HD11 LEU 4 1HD1 LEU 4 0.645 12.189 2.510 26 HD12 LEU 4 2HD1 LEU 4 -0.873 13.084 2.438 27 HD13 LEU 4 3HD1 LEU 4 0.117 12.909 0.989 28 HD21 LEU 4 1HD2 LEU 4 -2.322 9.950 2.676 29 HD22 LEU 4 2HD2 LEU 4 -3.060 11.326 1.855 30 HD23 LEU 4 3HD2 LEU 4 -2.087 11.581 3.305 31 H THR 5 H THR 5 1.468 9.983 0.849 32 HA THR 5 HA THR 5 3.054 12.230 0.654 33 HB THR 5 HB THR 5 4.905 10.851 1.573 34 HG1 THR 5 HG1 THR 5 4.044 8.583 2.093 35 HG21 THR 5 1HG2 THR 5 2.451 9.972 3.024 36 HG22 THR 5 2HG2 THR 5 2.775 11.699 2.866 37 HG23 THR 5 3HG2 THR 5 3.951 10.649 3.656 38 H ASP 6 H ASP 6 3.312 9.203 -1.174 39 HA ASP 6 HA ASP 6 5.661 9.768 -2.569 40 HB2 ASP 6 2HB ASP 6 4.805 7.549 -2.658 41 HB3 ASP 6 3HB ASP 6 3.256 8.097 -3.293 42 H GLU 7 H GLU 7 2.286 10.457 -3.437 43 HA GLU 7 HA GLU 7 2.828 11.627 -5.938 44 HB2 GLU 7 2HB GLU 7 0.591 10.900 -5.360 45 HB3 GLU 7 3HB GLU 7 0.522 12.051 -4.033 46 HG2 GLU 7 2HG GLU 7 0.244 13.858 -5.432 47 HG3 GLU 7 3HG GLU 7 0.964 13.033 -6.813 48 H GLN 8 H GLN 8 2.790 12.927 -2.680 49 HA GLN 8 HA GLN 8 2.832 15.664 -3.351 50 HB2 GLN 8 2HB GLN 8 3.204 14.041 -0.962 51 HB3 GLN 8 3HB GLN 8 4.251 15.454 -0.975 52 HG2 GLN 8 2HG GLN 8 2.236 16.850 -1.423 53 HG3 GLN 8 3HG GLN 8 1.253 15.407 -1.187 54 HE21 GLN 8 1HE2 GLN 8 3.665 17.448 0.387 55 HE22 GLN 8 2HE2 GLN 8 3.091 17.194 1.996 56 H ILE 9 H ILE 9 5.510 13.509 -2.397 57 HA ILE 9 HA ILE 9 7.564 15.361 -2.877 58 HB ILE 9 HB ILE 9 9.070 13.380 -2.983 59 HG12 ILE 9 2HG1 ILE 9 6.482 11.842 -2.668 60 HG13 ILE 9 3HG1 ILE 9 7.523 11.826 -4.087 61 HG21 ILE 9 1HG2 ILE 9 9.029 13.100 -0.724 62 HG22 ILE 9 2HG2 ILE 9 7.951 14.490 -0.851 63 HG23 ILE 9 3HG2 ILE 9 7.281 12.868 -0.672 64 HD11 ILE 9 1HD1 ILE 9 9.339 10.959 -2.517 65 HD12 ILE 9 2HD1 ILE 9 8.024 10.648 -1.383 66 HD13 ILE 9 3HD1 ILE 9 8.035 9.858 -2.960 67 H ARG 10 H ARG 10 5.897 13.116 -4.991 68 HA ARG 10 HA ARG 10 7.692 13.218 -7.164 69 HB2 ARG 10 2HB ARG 10 5.960 11.496 -6.961 70 HB3 ARG 10 3HB ARG 10 4.711 12.718 -7.156 71 HG2 ARG 10 2HG ARG 10 5.073 11.465 -9.213 72 HG3 ARG 10 3HG ARG 10 5.480 13.170 -9.417 73 HD2 ARG 10 2HD ARG 10 7.854 12.626 -9.106 74 HD3 ARG 10 3HD ARG 10 7.433 10.922 -8.934 75 HE ARG 10 HE ARG 10 6.500 12.081 -11.387 76 HH11 ARG 10 1HH1 ARG 10 9.211 10.595 -9.786 77 HH12 ARG 10 2HH1 ARG 10 9.939 10.035 -11.255 78 HH21 ARG 10 1HH2 ARG 10 7.449 11.349 -13.328 79 HH22 ARG 10 2HH2 ARG 10 8.936 10.466 -13.269 80 H GLU 11 H GLU 11 4.714 15.047 -6.494 81 HA GLU 11 HA GLU 11 4.835 16.644 -8.819 82 HB2 GLU 11 2HB GLU 11 3.157 16.410 -6.506 83 HB3 GLU 11 3HB GLU 11 3.534 18.106 -6.772 84 HG2 GLU 11 2HG GLU 11 2.639 16.428 -9.066 85 HG3 GLU 11 3HG GLU 11 1.455 17.017 -7.900 86 H ALA 12 H ALA 12 6.137 17.039 -5.574 87 HA ALA 12 HA ALA 12 6.932 19.728 -5.791 88 HB1 ALA 12 1HB ALA 12 8.597 17.893 -4.169 89 HB2 ALA 12 2HB ALA 12 7.887 19.453 -3.751 90 HB3 ALA 12 3HB ALA 12 6.884 18.002 -3.762 91 H PHE 13 H PHE 13 8.880 16.760 -6.161 92 HA PHE 13 HA PHE 13 11.229 18.020 -7.000 93 HB2 PHE 13 2HB PHE 13 11.246 15.710 -6.275 94 HB3 PHE 13 3HB PHE 13 10.190 15.245 -7.605 95 HD1 PHE 13 HD1 PHE 13 11.240 14.063 -9.253 96 HD2 PHE 13 HD2 PHE 13 13.392 17.137 -7.244 97 HE1 PHE 13 HE1 PHE 13 13.209 13.594 -10.652 98 HE2 PHE 13 HE2 PHE 13 15.364 16.674 -8.640 99 HZ PHE 13 HZ PHE 13 15.274 14.902 -10.347 100 H ASN 14 H ASN 14 8.382 17.015 -8.785 101 HA ASN 14 HA ASN 14 9.454 17.278 -11.384 102 HB2 ASN 14 2HB ASN 14 7.419 16.049 -11.107 103 HB3 ASN 14 3HB ASN 14 6.622 17.422 -10.345 104 HD21 ASN 14 1HD2 ASN 14 5.367 18.611 -11.583 105 HD22 ASN 14 2HD2 ASN 14 5.413 18.679 -13.309 106 H LEU 15 H LEU 15 7.646 19.529 -9.320 107 HA LEU 15 HA LEU 15 7.542 21.649 -11.175 108 HB2 LEU 15 2HB LEU 15 6.917 21.217 -8.378 109 HB3 LEU 15 3HB LEU 15 7.586 22.823 -8.661 110 HG LEU 15 HG LEU 15 5.139 22.825 -8.705 111 HD11 LEU 15 1HD1 LEU 15 5.943 23.274 -11.538 112 HD12 LEU 15 2HD1 LEU 15 6.703 24.231 -10.267 113 HD13 LEU 15 3HD1 LEU 15 4.952 24.271 -10.473 114 HD21 LEU 15 1HD2 LEU 15 4.998 20.458 -9.605 115 HD22 LEU 15 2HD2 LEU 15 5.300 21.152 -11.198 116 HD23 LEU 15 3HD2 LEU 15 3.867 21.628 -10.286 117 H PHE 16 H PHE 16 9.782 20.990 -8.493 118 HA PHE 16 HA PHE 16 11.385 23.254 -8.770 119 HB2 PHE 16 2HB PHE 16 12.074 20.477 -7.795 120 HB3 PHE 16 3HB PHE 16 13.158 21.858 -7.654 121 HD1 PHE 16 HD1 PHE 16 11.437 24.022 -6.846 122 HD2 PHE 16 HD2 PHE 16 11.351 19.929 -5.682 123 HE1 PHE 16 HE1 PHE 16 10.360 24.652 -4.724 124 HE2 PHE 16 HE2 PHE 16 10.274 20.551 -3.560 125 HZ PHE 16 HZ PHE 16 9.776 22.915 -3.079 126 H ASP 17 H ASP 17 11.661 20.067 -10.296 127 HA ASP 17 HA ASP 17 14.046 20.686 -11.725 128 HB2 ASP 17 2HB ASP 17 13.657 18.389 -11.368 129 HB3 ASP 17 3HB ASP 17 11.995 18.493 -11.943 130 H ALA 18 H ALA 18 10.669 21.198 -12.298 131 HA ALA 18 HA ALA 18 10.529 21.397 -15.048 132 HB1 ALA 18 1HB ALA 18 9.120 23.419 -13.364 133 HB2 ALA 18 2HB ALA 18 8.535 22.513 -14.761 134 HB3 ALA 18 3HB ALA 18 8.714 21.710 -13.201 135 H ASP 19 H ASP 19 11.980 23.586 -12.752 136 HA ASP 19 HA ASP 19 12.127 25.930 -14.212 137 HB2 ASP 19 2HB ASP 19 13.498 24.776 -11.933 138 HB3 ASP 19 3HB ASP 19 14.599 25.736 -12.918 139 H GLY 20 H GLY 20 13.927 22.964 -14.590 140 HA2 GLY 20 2HA GLY 20 15.073 22.273 -16.499 141 HA3 GLY 20 3HA GLY 20 14.940 23.905 -17.139 142 H SER 21 H SER 21 16.143 23.458 -13.927 143 HA SER 21 HA SER 21 18.805 24.279 -14.863 144 HB2 SER 21 2HB SER 21 17.202 24.847 -12.432 145 HB3 SER 21 3HB SER 21 18.942 24.673 -12.200 146 HG SER 21 HG SER 21 18.882 26.715 -12.774 147 H GLY 22 H GLY 22 20.691 23.365 -13.847 148 HA2 GLY 22 2HA GLY 22 20.520 20.527 -13.604 149 HA3 GLY 22 3HA GLY 22 21.963 21.504 -13.375 150 H ALA 23 H ALA 23 20.353 23.113 -11.336 151 HA ALA 23 HA ALA 23 20.017 21.207 -9.175 152 HB1 ALA 23 1HB ALA 23 21.906 21.581 -8.057 153 HB2 ALA 23 2HB ALA 23 22.517 22.330 -9.532 154 HB3 ALA 23 3HB ALA 23 21.781 23.327 -8.277 155 H ILE 24 H ILE 24 19.151 22.206 -7.220 156 HA ILE 24 HA ILE 24 17.735 24.722 -7.818 157 HB ILE 24 HB ILE 24 16.808 22.475 -6.025 158 HG12 ILE 24 2HG1 ILE 24 14.960 22.776 -8.051 159 HG13 ILE 24 3HG1 ILE 24 16.491 22.999 -8.889 160 HG21 ILE 24 1HG2 ILE 24 15.725 24.235 -5.091 161 HG22 ILE 24 2HG2 ILE 24 15.831 25.217 -6.551 162 HG23 ILE 24 3HG2 ILE 24 14.618 23.943 -6.432 163 HD11 ILE 24 1HD1 ILE 24 16.903 20.826 -8.846 164 HD12 ILE 24 2HD1 ILE 24 16.607 20.739 -7.109 165 HD13 ILE 24 3HD1 ILE 24 15.262 20.598 -8.241 166 H ASP 25 H ASP 25 18.158 26.395 -6.542 167 HA ASP 25 HA ASP 25 19.726 25.954 -4.114 168 HB2 ASP 25 2HB ASP 25 19.047 28.637 -5.300 169 HB3 ASP 25 3HB ASP 25 20.407 28.206 -4.266 170 H ALA 26 H ALA 26 19.194 27.914 -2.463 171 HA ALA 26 HA ALA 26 16.672 27.221 -1.340 172 HB1 ALA 26 1HB ALA 26 18.901 29.043 -0.595 173 HB2 ALA 26 2HB ALA 26 17.336 29.266 0.187 174 HB3 ALA 26 3HB ALA 26 18.172 27.718 0.312 175 H GLU 27 H GLU 27 17.907 30.045 -3.067 176 HA GLU 27 HA GLU 27 15.731 31.756 -2.676 177 HB2 GLU 27 2HB GLU 27 16.511 32.898 -4.740 178 HB3 GLU 27 3HB GLU 27 17.801 32.591 -3.585 179 HG2 GLU 27 2HG GLU 27 18.183 30.439 -4.991 180 HG3 GLU 27 3HG GLU 27 17.287 31.316 -6.230 181 H GLU 28 H GLU 28 16.326 29.321 -5.176 182 HA GLU 28 HA GLU 28 14.043 29.868 -6.732 183 HB2 GLU 28 2HB GLU 28 16.194 28.268 -7.053 184 HB3 GLU 28 3HB GLU 28 14.991 27.066 -6.606 185 HG2 GLU 28 2HG GLU 28 14.300 27.043 -8.702 186 HG3 GLU 28 3HG GLU 28 13.759 28.709 -8.508 187 H MET 29 H MET 29 14.599 27.604 -4.064 188 HA MET 29 HA MET 29 12.109 26.322 -4.131 189 HB2 MET 29 2HB MET 29 14.041 25.500 -2.840 190 HB3 MET 29 3HB MET 29 13.875 26.859 -1.736 191 HG2 MET 29 2HG MET 29 11.748 26.058 -0.976 192 HG3 MET 29 3HG MET 29 11.750 24.781 -2.190 193 HE1 MET 29 1HE MET 29 12.005 24.867 1.589 194 HE2 MET 29 2HE MET 29 10.969 24.083 0.397 195 HE3 MET 29 3HE MET 29 12.083 23.118 1.368 196 H ALA 30 H ALA 30 13.182 29.211 -2.377 197 HA ALA 30 HA ALA 30 10.781 29.648 -0.964 198 HB1 ALA 30 1HB ALA 30 12.404 31.997 -1.739 199 HB2 ALA 30 2HB ALA 30 11.778 31.518 -0.161 200 HB3 ALA 30 3HB ALA 30 13.216 30.734 -0.814 201 H LEU 31 H LEU 31 11.964 30.912 -4.063 202 HA LEU 31 HA LEU 31 9.874 32.673 -4.608 203 HB2 LEU 31 2HB LEU 31 12.134 31.695 -5.942 204 HB3 LEU 31 3HB LEU 31 10.769 31.349 -7.003 205 HG LEU 31 HG LEU 31 11.690 33.443 -7.661 206 HD11 LEU 31 1HD1 LEU 31 9.050 33.124 -6.864 207 HD12 LEU 31 2HD1 LEU 31 9.688 34.364 -7.944 208 HD13 LEU 31 3HD1 LEU 31 9.522 34.697 -6.220 209 HD21 LEU 31 1HD2 LEU 31 12.595 33.722 -5.156 210 HD22 LEU 31 2HD2 LEU 31 11.198 34.795 -5.078 211 HD23 LEU 31 3HD2 LEU 31 12.455 35.069 -6.286 212 H ALA 32 H ALA 32 10.232 29.259 -5.549 213 HA ALA 32 HA ALA 32 7.796 29.015 -6.909 214 HB1 ALA 32 1HB ALA 32 8.801 27.087 -7.365 215 HB2 ALA 32 2HB ALA 32 9.883 27.255 -5.982 216 HB3 ALA 32 3HB ALA 32 8.294 26.520 -5.773 217 H MET 33 H MET 33 8.610 28.301 -3.519 218 HA MET 33 HA MET 33 6.137 27.350 -2.691 219 HB2 MET 33 2HB MET 33 8.297 28.851 -1.224 220 HB3 MET 33 3HB MET 33 6.848 28.274 -0.410 221 HG2 MET 33 2HG MET 33 8.717 26.495 -1.953 222 HG3 MET 33 3HG MET 33 8.841 26.786 -0.219 223 HE1 MET 33 1HE MET 33 5.832 24.827 -2.765 224 HE2 MET 33 2HE MET 33 7.536 25.183 -3.050 225 HE3 MET 33 3HE MET 33 7.065 23.646 -2.322 226 H LYS 34 H LYS 34 7.302 30.671 -2.964 227 HA LYS 34 HA LYS 34 5.077 31.910 -1.739 228 HB2 LYS 34 2HB LYS 34 7.201 33.076 -2.042 229 HB3 LYS 34 3HB LYS 34 7.021 32.989 -3.789 230 HG2 LYS 34 2HG LYS 34 4.963 34.369 -3.583 231 HG3 LYS 34 3HG LYS 34 5.318 34.554 -1.864 232 HD2 LYS 34 2HD LYS 34 7.532 35.184 -3.708 233 HD3 LYS 34 3HD LYS 34 6.148 36.277 -3.770 234 HE2 LYS 34 2HE LYS 34 6.627 35.844 -1.053 235 HE3 LYS 34 3HE LYS 34 8.221 36.044 -1.777 236 HZ1 LYS 34 1HZ LYS 34 6.020 37.932 -2.345 237 HZ2 LYS 34 2HZ LYS 34 7.683 38.161 -2.548 238 HZ3 LYS 34 3HZ LYS 34 7.019 38.123 -0.993 239 H GLY 35 H GLY 35 5.905 31.521 -5.191 240 HA2 GLY 35 2HA GLY 35 3.608 32.636 -6.277 241 HA3 GLY 35 3HA GLY 35 4.567 31.383 -7.051 242 H LEU 36 H LEU 36 4.115 29.387 -5.021 243 HA LEU 36 HA LEU 36 1.563 28.433 -5.953 244 HB2 LEU 36 2HB LEU 36 3.585 27.265 -4.050 245 HB3 LEU 36 3HB LEU 36 2.111 26.442 -4.553 246 HG LEU 36 HG LEU 36 4.233 27.323 -6.497 247 HD11 LEU 36 1HD1 LEU 36 4.251 25.107 -4.615 248 HD12 LEU 36 2HD1 LEU 36 5.547 25.751 -5.621 249 HD13 LEU 36 3HD1 LEU 36 4.407 24.585 -6.293 250 HD21 LEU 36 1HD2 LEU 36 1.728 25.721 -6.622 251 HD22 LEU 36 2HD2 LEU 36 3.069 25.276 -7.678 252 HD23 LEU 36 3HD2 LEU 36 2.377 26.897 -7.765 253 H GLY 37 H GLY 37 2.805 29.976 -3.109 254 HA2 GLY 37 2HA GLY 37 1.720 30.823 -1.268 255 HA3 GLY 37 3HA GLY 37 0.205 30.479 -2.090 256 H PHE 38 H PHE 38 2.445 27.894 -1.603 257 HA PHE 38 HA PHE 38 0.923 26.956 0.728 258 HB2 PHE 38 2HB PHE 38 0.223 25.924 -1.546 259 HB3 PHE 38 3HB PHE 38 1.749 25.052 -1.445 260 HD1 PHE 38 HD1 PHE 38 -1.375 25.712 0.458 261 HD2 PHE 38 HD2 PHE 38 1.872 23.058 -0.274 262 HE1 PHE 38 HE1 PHE 38 -2.445 24.015 1.882 263 HE2 PHE 38 HE2 PHE 38 0.806 21.356 1.148 264 HZ PHE 38 HZ PHE 38 -1.356 21.833 2.228 265 H GLY 39 H GLY 39 2.066 25.753 2.220 266 HA2 GLY 39 2HA GLY 39 3.903 24.960 3.347 267 HA3 GLY 39 3HA GLY 39 4.616 24.628 1.776 268 H ASP 40 H ASP 40 3.647 27.722 3.216 269 HA ASP 40 HA ASP 40 6.204 28.865 2.502 270 HB2 ASP 40 2HB ASP 40 4.014 30.086 2.273 271 HB3 ASP 40 3HB ASP 40 3.948 30.170 4.031 272 H LEU 41 H LEU 41 7.871 28.316 3.770 273 HA LEU 41 HA LEU 41 7.485 28.304 6.682 274 HB2 LEU 41 2HB LEU 41 9.408 26.950 4.844 275 HB3 LEU 41 3HB LEU 41 9.871 27.244 6.519 276 HG LEU 41 HG LEU 41 9.019 24.972 6.177 277 HD11 LEU 41 1HD1 LEU 41 8.748 26.046 8.351 278 HD12 LEU 41 2HD1 LEU 41 7.403 24.961 8.004 279 HD13 LEU 41 3HD1 LEU 41 7.194 26.704 7.839 280 HD21 LEU 41 1HD2 LEU 41 6.771 24.527 5.544 281 HD22 LEU 41 2HD2 LEU 41 7.446 25.614 4.329 282 HD23 LEU 41 3HD2 LEU 41 6.357 26.241 5.567 283 HA PRO 42 HA PRO 42 9.939 31.886 7.311 284 HB2 PRO 42 2HB PRO 42 11.329 31.243 9.553 285 HB3 PRO 42 3HB PRO 42 9.599 31.603 9.565 286 HG2 PRO 42 2HG PRO 42 10.982 28.948 9.574 287 HG3 PRO 42 3HG PRO 42 9.579 29.482 10.518 288 HD2 PRO 42 2HD PRO 42 9.343 27.953 8.296 289 HD3 PRO 42 3HD PRO 42 8.116 29.145 8.770 290 H ARG 43 H ARG 43 12.172 32.707 7.515 291 HA ARG 43 HA ARG 43 13.894 31.514 5.640 292 HB2 ARG 43 2HB ARG 43 15.552 33.199 6.413 293 HB3 ARG 43 3HB ARG 43 13.980 33.890 6.033 294 HG2 ARG 43 2HG ARG 43 14.208 34.932 7.996 295 HG3 ARG 43 3HG ARG 43 13.708 33.387 8.686 296 HD2 ARG 43 2HD ARG 43 16.365 32.971 8.375 297 HD3 ARG 43 3HD ARG 43 16.338 34.706 8.688 298 HE ARG 43 HE ARG 43 14.725 33.520 10.604 299 HH11 ARG 43 1HH1 ARG 43 18.070 33.443 9.641 300 HH12 ARG 43 2HH1 ARG 43 18.656 33.092 11.233 301 HH21 ARG 43 1HH2 ARG 43 15.484 33.057 12.705 302 HH22 ARG 43 2HH2 ARG 43 17.184 32.872 12.975 303 H ASP 44 H ASP 44 13.875 31.487 9.172 304 HA ASP 44 HA ASP 44 16.343 30.274 9.620 305 HB2 ASP 44 2HB ASP 44 15.522 29.698 11.800 306 HB3 ASP 44 3HB ASP 44 14.832 31.260 11.367 307 H GLU 45 H GLU 45 13.213 28.860 8.826 308 HA GLU 45 HA GLU 45 13.996 26.158 9.218 309 HB2 GLU 45 2HB GLU 45 11.630 27.003 9.154 310 HB3 GLU 45 3HB GLU 45 11.802 27.183 7.414 311 HG2 GLU 45 2HG GLU 45 12.464 24.539 8.558 312 HG3 GLU 45 3HG GLU 45 10.767 25.013 8.553 313 H VAL 46 H VAL 46 14.193 28.384 6.530 314 HA VAL 46 HA VAL 46 14.747 26.458 4.516 315 HB VAL 46 HB VAL 46 15.568 29.364 4.537 316 HG11 VAL 46 1HG1 VAL 46 16.196 27.372 2.747 317 HG12 VAL 46 2HG1 VAL 46 14.790 28.144 2.011 318 HG13 VAL 46 3HG1 VAL 46 16.215 29.103 2.416 319 HG21 VAL 46 1HG2 VAL 46 12.950 28.159 4.457 320 HG22 VAL 46 2HG2 VAL 46 13.399 29.863 4.537 321 HG23 VAL 46 3HG2 VAL 46 13.279 29.056 2.974 322 H GLU 47 H GLU 47 16.883 28.720 6.265 323 HA GLU 47 HA GLU 47 19.287 27.712 5.211 324 HB2 GLU 47 2HB GLU 47 20.368 28.881 7.114 325 HB3 GLU 47 3HB GLU 47 19.221 29.892 6.246 326 HG2 GLU 47 2HG GLU 47 18.606 30.398 8.362 327 HG3 GLU 47 3HG GLU 47 17.576 28.990 8.111 328 H ARG 48 H ARG 48 17.454 26.883 8.112 329 HA ARG 48 HA ARG 48 19.353 25.161 9.270 330 HB2 ARG 48 2HB ARG 48 17.500 25.969 10.578 331 HB3 ARG 48 3HB ARG 48 16.341 25.225 9.484 332 HG2 ARG 48 2HG ARG 48 18.292 23.399 10.721 333 HG3 ARG 48 3HG ARG 48 17.116 24.136 11.811 334 HD2 ARG 48 2HD ARG 48 15.388 22.982 10.935 335 HD3 ARG 48 3HD ARG 48 16.016 23.092 9.291 336 HE ARG 48 HE ARG 48 17.543 21.321 10.938 337 HH11 ARG 48 1HH1 ARG 48 14.675 21.596 8.983 338 HH12 ARG 48 2HH1 ARG 48 14.595 19.901 8.631 339 HH21 ARG 48 1HH2 ARG 48 17.448 19.088 10.482 340 HH22 ARG 48 2HH2 ARG 48 16.171 18.476 9.485 341 H THR 49 H THR 49 16.597 24.485 7.129 342 HA THR 49 HA THR 49 16.916 21.703 7.012 343 HB THR 49 HB THR 49 15.704 21.909 4.780 344 HG1 THR 49 HG1 THR 49 16.149 23.934 4.080 345 HG21 THR 49 1HG2 THR 49 13.661 23.061 6.026 346 HG22 THR 49 2HG2 THR 49 14.714 22.842 7.424 347 HG23 THR 49 3HG2 THR 49 14.224 21.449 6.461 348 H VAL 50 H VAL 50 18.238 24.277 4.963 349 HA VAL 50 HA VAL 50 19.501 22.615 3.078 350 HB VAL 50 HB VAL 50 20.291 25.395 3.963 351 HG11 VAL 50 1HG1 VAL 50 21.043 25.185 1.364 352 HG12 VAL 50 2HG1 VAL 50 22.121 24.936 2.740 353 HG13 VAL 50 3HG1 VAL 50 21.369 23.552 1.946 354 HG21 VAL 50 1HG2 VAL 50 17.953 24.595 2.753 355 HG22 VAL 50 2HG2 VAL 50 18.636 26.220 2.705 356 HG23 VAL 50 3HG2 VAL 50 18.958 25.088 1.391 357 H ARG 51 H ARG 51 20.603 23.950 6.157 358 HA ARG 51 HA ARG 51 23.296 23.124 5.935 359 HB2 ARG 51 2HB ARG 51 22.552 24.829 7.540 360 HB3 ARG 51 3HB ARG 51 21.638 23.609 8.417 361 HG2 ARG 51 2HG ARG 51 24.529 23.109 8.020 362 HG3 ARG 51 3HG ARG 51 24.069 24.384 9.149 363 HD2 ARG 51 2HD ARG 51 22.498 22.671 10.189 364 HD3 ARG 51 3HD ARG 51 23.364 21.464 9.239 365 HE ARG 51 HE ARG 51 25.070 21.587 10.745 366 HH11 ARG 51 1HH1 ARG 51 23.142 24.474 11.013 367 HH12 ARG 51 2HH1 ARG 51 24.009 25.083 12.383 368 HH21 ARG 51 1HH2 ARG 51 26.220 22.379 12.549 369 HH22 ARG 51 2HH2 ARG 51 25.761 23.891 13.256 370 H SER 52 H SER 52 20.429 21.594 7.336 371 HA SER 52 HA SER 52 21.756 19.356 8.434 372 HB2 SER 52 2HB SER 52 18.971 20.164 7.926 373 HB3 SER 52 3HB SER 52 19.238 18.421 7.906 374 HG SER 52 HG SER 52 20.305 19.987 9.983 375 H MET 53 H MET 53 20.044 19.808 5.351 376 HA MET 53 HA MET 53 20.493 17.190 4.389 377 HB2 MET 53 2HB MET 53 19.699 19.789 3.135 378 HB3 MET 53 3HB MET 53 20.126 18.430 2.104 379 HG2 MET 53 2HG MET 53 18.390 17.080 3.119 380 HG3 MET 53 3HG MET 53 17.990 18.394 4.223 381 HE1 MET 53 1HE MET 53 17.905 20.986 2.710 382 HE2 MET 53 2HE MET 53 16.290 21.020 2.002 383 HE3 MET 53 3HE MET 53 16.521 20.420 3.645 384 H ASN 54 H ASN 54 21.956 20.207 3.166 385 HA ASN 54 HA ASN 54 24.200 18.708 2.113 386 HB2 ASN 54 2HB ASN 54 23.152 20.567 0.830 387 HB3 ASN 54 3HB ASN 54 23.704 21.692 2.067 388 HD21 ASN 54 1HD2 ASN 54 24.527 22.344 -0.286 389 HD22 ASN 54 2HD2 ASN 54 26.174 21.908 -0.575 390 H THR 55 H THR 55 25.585 18.051 3.659 391 HA THR 55 HA THR 55 26.160 19.244 6.078 392 HB THR 55 HB THR 55 26.921 17.001 5.610 393 HG1 THR 55 HG1 THR 55 29.169 17.286 6.288 394 HG21 THR 55 1HG2 THR 55 28.660 16.477 4.048 395 HG22 THR 55 2HG2 THR 55 28.945 18.185 3.711 396 HG23 THR 55 3HG2 THR 55 27.441 17.422 3.194 397 H ASN 56 H ASN 56 27.422 19.990 2.900 398 HA ASN 56 HA ASN 56 29.031 22.150 4.096 399 HB2 ASN 56 2HB ASN 56 29.537 20.864 1.410 400 HB3 ASN 56 3HB ASN 56 30.591 21.967 2.289 401 HD21 ASN 56 1HD2 ASN 56 30.692 19.057 1.296 402 HD22 ASN 56 2HD2 ASN 56 31.342 18.203 2.650 403 H ALA 57 H ALA 57 27.674 23.862 3.981 404 HA ALA 57 HA ALA 57 25.833 24.361 1.911 405 HB1 ALA 57 1HB ALA 57 25.706 26.641 2.854 406 HB2 ALA 57 2HB ALA 57 25.566 25.380 4.080 407 HB3 ALA 57 3HB ALA 57 27.082 26.261 3.891 408 H ASN 58 H ASN 58 26.659 24.349 -0.130 409 HA ASN 58 HA ASN 58 28.723 26.365 -0.732 410 HB2 ASN 58 2HB ASN 58 28.266 23.619 -1.870 411 HB3 ASN 58 3HB ASN 58 29.124 24.847 -2.797 412 HD21 ASN 58 1HD2 ASN 58 30.059 22.306 -1.699 413 HD22 ASN 58 2HD2 ASN 58 31.401 22.694 -0.683 414 H GLY 59 H GLY 59 25.595 26.163 -0.779 415 HA2 GLY 59 2HA GLY 59 24.031 27.405 -1.947 416 HA3 GLY 59 3HA GLY 59 25.301 27.889 -3.062 417 H LEU 60 H LEU 60 24.871 24.520 -2.468 418 HA LEU 60 HA LEU 60 23.235 24.205 -4.876 419 HB2 LEU 60 2HB LEU 60 26.007 23.803 -4.828 420 HB3 LEU 60 3HB LEU 60 25.292 22.192 -4.794 421 HG LEU 60 HG LEU 60 23.998 23.777 -6.804 422 HD11 LEU 60 1HD1 LEU 60 25.765 25.117 -7.298 423 HD12 LEU 60 2HD1 LEU 60 26.233 23.697 -8.233 424 HD13 LEU 60 3HD1 LEU 60 26.952 23.985 -6.649 425 HD21 LEU 60 1HD2 LEU 60 24.848 21.933 -8.245 426 HD22 LEU 60 2HD2 LEU 60 23.974 21.382 -6.816 427 HD23 LEU 60 3HD2 LEU 60 25.737 21.315 -6.852 428 H ILE 61 H ILE 61 21.827 22.532 -4.792 429 HA ILE 61 HA ILE 61 21.995 20.763 -2.440 430 HB ILE 61 HB ILE 61 19.501 21.729 -3.843 431 HG12 ILE 61 2HG1 ILE 61 20.487 22.362 -1.056 432 HG13 ILE 61 3HG1 ILE 61 20.704 23.429 -2.439 433 HG21 ILE 61 1HG2 ILE 61 18.840 20.631 -1.373 434 HG22 ILE 61 2HG2 ILE 61 18.540 19.928 -2.961 435 HG23 ILE 61 3HG2 ILE 61 20.003 19.505 -2.072 436 HD11 ILE 61 1HD1 ILE 61 17.946 22.550 -1.968 437 HD12 ILE 61 2HD1 ILE 61 18.643 23.570 -0.709 438 HD13 ILE 61 3HD1 ILE 61 18.583 24.143 -2.376 439 H GLU 62 H GLU 62 21.954 18.620 -2.768 440 HA GLU 62 HA GLU 62 21.939 17.656 -5.503 441 HB2 GLU 62 2HB GLU 62 22.468 16.272 -2.870 442 HB3 GLU 62 3HB GLU 62 22.535 15.467 -4.431 443 HG2 GLU 62 2HG GLU 62 24.215 17.391 -5.005 444 HG3 GLU 62 3HG GLU 62 24.383 17.478 -3.253 445 H TYR 63 H TYR 63 20.458 16.285 -6.403 446 HA TYR 63 HA TYR 63 17.802 16.410 -5.504 447 HB2 TYR 63 2HB TYR 63 17.307 14.813 -7.292 448 HB3 TYR 63 3HB TYR 63 18.407 16.063 -7.861 449 HD1 TYR 63 HD1 TYR 63 18.030 12.515 -7.083 450 HD2 TYR 63 HD2 TYR 63 20.740 15.536 -8.360 451 HE1 TYR 63 HE1 TYR 63 19.600 10.779 -7.838 452 HE2 TYR 63 HE2 TYR 63 22.317 13.809 -9.119 453 HH TYR 63 HH TYR 63 22.456 11.559 -9.679 454 H GLY 64 H GLY 64 20.293 13.945 -5.132 455 HA2 GLY 64 2HA GLY 64 18.666 11.889 -4.109 456 HA3 GLY 64 3HA GLY 64 20.392 12.059 -3.827 457 H GLU 65 H GLU 65 20.649 14.283 -2.362 458 HA GLU 65 HA GLU 65 19.811 13.456 0.207 459 HB2 GLU 65 2HB GLU 65 21.050 16.014 -0.799 460 HB3 GLU 65 3HB GLU 65 20.687 15.742 0.899 461 HG2 GLU 65 2HG GLU 65 22.467 13.968 -0.752 462 HG3 GLU 65 3HG GLU 65 23.043 15.288 0.264 463 H PHE 66 H PHE 66 18.518 15.724 -2.117 464 HA PHE 66 HA PHE 66 16.776 17.128 -0.410 465 HB2 PHE 66 2HB PHE 66 17.396 17.828 -2.727 466 HB3 PHE 66 3HB PHE 66 16.372 16.537 -3.348 467 HD1 PHE 66 HD1 PHE 66 14.188 17.016 -3.886 468 HD2 PHE 66 HD2 PHE 66 16.217 19.488 -1.077 469 HE1 PHE 66 HE1 PHE 66 12.244 18.523 -3.813 470 HE2 PHE 66 HE2 PHE 66 14.277 20.998 -0.999 471 HZ PHE 66 HZ PHE 66 12.286 20.516 -2.368 472 H GLU 67 H GLU 67 16.077 14.432 -2.640 473 HA GLU 67 HA GLU 67 13.423 14.056 -1.768 474 HB2 GLU 67 2HB GLU 67 13.505 11.946 -2.978 475 HB3 GLU 67 3HB GLU 67 14.270 13.217 -3.921 476 HG2 GLU 67 2HG GLU 67 16.474 12.408 -3.151 477 HG3 GLU 67 3HG GLU 67 15.661 11.081 -2.323 478 H ARG 68 H ARG 68 16.490 12.687 -0.720 479 HA ARG 68 HA ARG 68 15.505 10.630 0.905 480 HB2 ARG 68 2HB ARG 68 17.874 10.859 0.254 481 HB3 ARG 68 3HB ARG 68 18.012 12.274 1.289 482 HG2 ARG 68 2HG ARG 68 17.001 9.862 2.620 483 HG3 ARG 68 3HG ARG 68 18.661 9.758 2.030 484 HD2 ARG 68 2HD ARG 68 19.419 11.158 3.602 485 HD3 ARG 68 3HD ARG 68 18.076 12.277 3.372 486 HE ARG 68 HE ARG 68 17.032 11.325 5.167 487 HH11 ARG 68 1HH1 ARG 68 19.527 9.174 4.043 488 HH12 ARG 68 2HH1 ARG 68 19.355 8.071 5.368 489 HH21 ARG 68 1HH2 ARG 68 16.795 9.881 6.916 490 HH22 ARG 68 2HH2 ARG 68 17.800 8.474 7.001 491 H MET 69 H MET 69 16.248 14.017 1.660 492 HA MET 69 HA MET 69 15.597 13.834 4.413 493 HB2 MET 69 2HB MET 69 16.989 15.637 3.690 494 HB3 MET 69 3HB MET 69 15.790 16.178 2.524 495 HG2 MET 69 2HG MET 69 15.817 17.658 4.419 496 HG3 MET 69 3HG MET 69 14.289 16.782 4.365 497 HE1 MET 69 1HE MET 69 17.821 16.738 5.565 498 HE2 MET 69 2HE MET 69 17.751 16.288 7.269 499 HE3 MET 69 3HE MET 69 17.727 15.038 6.025 500 H VAL 70 H VAL 70 13.782 15.069 1.611 501 HA VAL 70 HA VAL 70 11.467 15.870 2.885 502 HB VAL 70 HB VAL 70 11.671 14.547 0.176 503 HG11 VAL 70 1HG1 VAL 70 9.520 16.308 1.348 504 HG12 VAL 70 2HG1 VAL 70 9.593 15.759 -0.328 505 HG13 VAL 70 3HG1 VAL 70 9.379 14.590 0.976 506 HG21 VAL 70 1HG2 VAL 70 12.639 16.404 -0.563 507 HG22 VAL 70 2HG2 VAL 70 11.337 17.389 0.103 508 HG23 VAL 70 3HG2 VAL 70 12.735 16.985 1.100 509 H LYS 71 H LYS 71 12.310 12.637 1.690 510 HA LYS 71 HA LYS 71 9.869 11.395 2.342 511 HB2 LYS 71 2HB LYS 71 11.385 10.316 0.822 512 HB3 LYS 71 3HB LYS 71 12.659 10.281 2.034 513 HG2 LYS 71 2HG LYS 71 10.153 8.918 2.769 514 HG3 LYS 71 3HG LYS 71 11.081 8.187 1.457 515 HD2 LYS 71 2HD LYS 71 12.256 8.941 4.129 516 HD3 LYS 71 3HD LYS 71 11.643 7.331 3.744 517 HE2 LYS 71 2HE LYS 71 13.338 7.977 1.631 518 HE3 LYS 71 3HE LYS 71 14.174 8.557 3.071 519 HZ1 LYS 71 1HZ LYS 71 13.699 5.866 2.195 520 HZ2 LYS 71 2HZ LYS 71 13.269 6.111 3.812 521 HZ3 LYS 71 3HZ LYS 71 14.841 6.458 3.293 522 H SER 72 H SER 72 12.673 12.202 4.239 523 HA SER 72 HA SER 72 12.086 10.476 6.436 524 HB2 SER 72 2HB SER 72 14.269 11.954 5.694 525 HB3 SER 72 3HB SER 72 13.630 12.910 7.031 526 HG SER 72 HG SER 72 15.091 11.309 7.754 527 H ARG 73 H ARG 73 11.758 13.997 5.979 528 HA ARG 73 HA ARG 73 10.476 14.536 8.402 529 HB2 ARG 73 2HB ARG 73 9.650 16.601 7.257 530 HB3 ARG 73 3HB ARG 73 11.383 16.339 7.109 531 HG2 ARG 73 2HG ARG 73 11.006 15.401 4.852 532 HG3 ARG 73 3HG ARG 73 9.294 15.801 5.009 533 HD2 ARG 73 2HD ARG 73 10.598 18.152 5.673 534 HD3 ARG 73 3HD ARG 73 11.551 17.500 4.341 535 HE ARG 73 HE ARG 73 9.011 17.285 3.441 536 HH11 ARG 73 1HH1 ARG 73 10.854 19.912 4.791 537 HH12 ARG 73 2HH1 ARG 73 10.008 21.135 3.902 538 HH21 ARG 73 1HH2 ARG 73 7.891 18.886 2.264 539 HH22 ARG 73 2HH2 ARG 73 8.322 20.550 2.465 540 H MET 74 H MET 74 9.138 13.704 5.228 541 HA MET 74 HA MET 74 6.417 13.949 6.033 542 HB2 MET 74 2HB MET 74 7.659 12.480 3.701 543 HB3 MET 74 3HB MET 74 5.934 12.748 3.910 544 HG2 MET 74 2HG MET 74 8.006 14.914 3.638 545 HG3 MET 74 3HG MET 74 6.963 14.329 2.343 546 HE1 MET 74 1HE MET 74 4.281 14.451 2.493 547 HE2 MET 74 2HE MET 74 4.259 13.827 4.142 548 HE3 MET 74 3HE MET 74 3.411 15.324 3.754 549 H ALA 75 H ALA 75 8.765 11.358 6.056 550 HA ALA 75 HA ALA 75 7.143 9.133 6.316 551 HB1 ALA 75 1HB ALA 75 9.901 9.808 6.922 552 HB2 ALA 75 2HB ALA 75 9.239 8.609 8.035 553 HB3 ALA 75 3HB ALA 75 9.214 8.308 6.297 554 H GLN 76 H GLN 76 7.851 11.637 8.634 555 HA GLN 76 HA GLN 76 6.991 10.251 10.955 556 HB2 GLN 76 2HB GLN 76 8.405 12.233 11.102 557 HB3 GLN 76 3HB GLN 76 7.134 13.217 10.389 558 HG2 GLN 76 2HG GLN 76 6.426 13.665 12.433 559 HG3 GLN 76 3HG GLN 76 5.951 11.974 12.586 560 HE21 GLN 76 1HE2 GLN 76 7.881 10.503 13.126 561 HE22 GLN 76 2HE2 GLN 76 8.912 11.065 14.393 562 H LYS 77 H LYS 77 5.360 12.318 8.610 563 HA LYS 77 HA LYS 77 2.859 12.256 10.050 564 HB2 LYS 77 2HB LYS 77 3.907 13.564 7.616 565 HB3 LYS 77 3HB LYS 77 2.190 13.186 7.592 566 HG2 LYS 77 2HG LYS 77 2.486 15.422 8.393 567 HG3 LYS 77 3HG LYS 77 1.935 14.408 9.729 568 HD2 LYS 77 2HD LYS 77 4.365 14.167 10.381 569 HD3 LYS 77 3HD LYS 77 4.717 15.436 9.206 570 HE2 LYS 77 2HE LYS 77 4.185 16.978 10.711 571 HE3 LYS 77 3HE LYS 77 2.555 16.315 10.817 572 HZ1 LYS 77 1HZ LYS 77 4.749 15.044 12.309 573 HZ2 LYS 77 2HZ LYS 77 3.092 15.051 12.645 574 HZ3 LYS 77 3HZ LYS 77 4.017 16.440 12.924 575 H ASP 78 H ASP 78 0.983 11.178 9.442 576 HA ASP 78 HA ASP 78 1.186 9.214 7.280 577 HB2 ASP 78 2HB ASP 78 0.728 8.629 10.181 578 HB3 ASP 78 3HB ASP 78 -0.044 7.617 8.963 579 H SER 79 H SER 79 -1.076 8.020 7.164 580 HA SER 79 HA SER 79 -2.951 9.901 6.335 581 HB2 SER 79 2HB SER 79 -2.870 6.991 6.679 582 HB3 SER 79 3HB SER 79 -4.484 7.675 6.870 583 HG SER 79 HG SER 79 -2.814 8.332 4.685 584 HA PRO 80 HA PRO 80 -5.187 11.201 9.877 585 HB2 PRO 80 2HB PRO 80 -7.745 11.251 8.971 586 HB3 PRO 80 3HB PRO 80 -6.525 12.425 8.467 587 HG2 PRO 80 2HG PRO 80 -7.496 9.975 7.047 588 HG3 PRO 80 3HG PRO 80 -7.164 11.590 6.393 589 HD2 PRO 80 2HD PRO 80 -5.424 9.530 6.142 590 HD3 PRO 80 3HD PRO 80 -4.892 11.218 6.288 591 H GLU 81 H GLU 81 -6.506 8.345 8.252 592 HA GLU 81 HA GLU 81 -8.087 7.492 10.463 593 HB2 GLU 81 2HB GLU 81 -7.170 6.211 7.910 594 HB3 GLU 81 3HB GLU 81 -7.956 5.244 9.150 595 HG2 GLU 81 2HG GLU 81 -9.804 7.038 9.060 596 HG3 GLU 81 3HG GLU 81 -9.075 7.483 7.518 597 H GLU 82 H GLU 82 -4.848 6.705 9.294 598 HA GLU 82 HA GLU 82 -4.312 4.580 11.047 599 HB2 GLU 82 2HB GLU 82 -2.857 6.167 9.143 600 HB3 GLU 82 3HB GLU 82 -1.891 5.961 10.597 601 HG2 GLU 82 2HG GLU 82 -2.390 3.486 10.408 602 HG3 GLU 82 3HG GLU 82 -3.008 3.838 8.796 603 H VAL 83 H VAL 83 -3.624 8.054 11.343 604 HA VAL 83 HA VAL 83 -2.374 7.910 13.867 605 HB VAL 83 HB VAL 83 -3.858 10.233 12.627 606 HG11 VAL 83 1HG1 VAL 83 -1.910 10.111 14.924 607 HG12 VAL 83 2HG1 VAL 83 -2.425 11.601 14.133 608 HG13 VAL 83 3HG1 VAL 83 -3.603 10.602 14.985 609 HG21 VAL 83 1HG2 VAL 83 -1.487 8.961 11.824 610 HG22 VAL 83 2HG2 VAL 83 -2.127 10.504 11.259 611 HG23 VAL 83 3HG2 VAL 83 -0.999 10.461 12.613 612 H LEU 84 H LEU 84 -5.732 8.190 12.889 613 HA LEU 84 HA LEU 84 -6.805 8.904 15.400 614 HB2 LEU 84 2HB LEU 84 -7.840 7.853 12.843 615 HB3 LEU 84 3HB LEU 84 -8.841 7.560 14.264 616 HG LEU 84 HG LEU 84 -7.885 10.309 13.499 617 HD11 LEU 84 1HD1 LEU 84 -10.455 8.946 12.709 618 HD12 LEU 84 2HD1 LEU 84 -9.150 9.425 11.624 619 HD13 LEU 84 3HD1 LEU 84 -10.084 10.654 12.477 620 HD21 LEU 84 1HD2 LEU 84 -9.584 9.142 15.586 621 HD22 LEU 84 2HD2 LEU 84 -10.272 10.550 14.776 622 HD23 LEU 84 3HD2 LEU 84 -8.697 10.666 15.561 623 H LYS 85 H LYS 85 -6.571 5.736 13.787 624 HA LYS 85 HA LYS 85 -7.618 4.231 15.918 625 HB2 LYS 85 2HB LYS 85 -7.412 3.385 13.609 626 HB3 LYS 85 3HB LYS 85 -5.662 3.363 13.781 627 HG2 LYS 85 2HG LYS 85 -6.970 1.894 15.905 628 HG3 LYS 85 3HG LYS 85 -7.405 1.282 14.307 629 HD2 LYS 85 2HD LYS 85 -4.546 1.840 15.018 630 HD3 LYS 85 3HD LYS 85 -5.315 0.319 15.481 631 HE2 LYS 85 2HE LYS 85 -5.343 1.352 12.657 632 HE3 LYS 85 3HE LYS 85 -4.036 0.346 13.281 633 HZ1 LYS 85 1HZ LYS 85 -6.790 -0.367 12.649 634 HZ2 LYS 85 2HZ LYS 85 -6.105 -1.121 13.999 635 HZ3 LYS 85 3HZ LYS 85 -5.372 -1.274 12.483 636 H ALA 86 H ALA 86 -4.317 5.192 15.114 637 HA ALA 86 HA ALA 86 -2.978 3.642 17.033 638 HB1 ALA 86 1HB ALA 86 -1.286 5.654 16.836 639 HB2 ALA 86 2HB ALA 86 -1.521 4.518 15.506 640 HB3 ALA 86 3HB ALA 86 -2.322 6.089 15.476 641 H PHE 87 H PHE 87 -4.140 7.003 17.191 642 HA PHE 87 HA PHE 87 -3.286 7.527 19.810 643 HB2 PHE 87 2HB PHE 87 -3.921 9.355 18.391 644 HB3 PHE 87 3HB PHE 87 -5.543 8.703 18.183 645 HD1 PHE 87 HD1 PHE 87 -3.366 9.446 21.125 646 HD2 PHE 87 HD2 PHE 87 -7.129 9.989 19.212 647 HE1 PHE 87 HE1 PHE 87 -4.143 10.782 23.039 648 HE2 PHE 87 HE2 PHE 87 -7.911 11.327 21.122 649 HZ PHE 87 HZ PHE 87 -6.418 11.726 23.039 650 H GLN 88 H GLN 88 -6.389 6.326 18.580 651 HA GLN 88 HA GLN 88 -7.769 6.244 21.005 652 HB2 GLN 88 2HB GLN 88 -8.722 5.910 18.689 653 HB3 GLN 88 3HB GLN 88 -8.099 4.266 18.749 654 HG2 GLN 88 2HG GLN 88 -9.451 4.146 20.978 655 HG3 GLN 88 3HG GLN 88 -10.332 5.504 20.280 656 HE21 GLN 88 1HE2 GLN 88 -11.577 5.185 18.442 657 HE22 GLN 88 2HE2 GLN 88 -12.027 3.610 17.895 658 H LEU 89 H LEU 89 -5.691 3.824 19.469 659 HA LEU 89 HA LEU 89 -6.114 1.777 21.363 660 HB2 LEU 89 2HB LEU 89 -5.149 1.404 19.138 661 HB3 LEU 89 3HB LEU 89 -3.706 2.293 19.621 662 HG LEU 89 HG LEU 89 -4.446 -0.061 21.263 663 HD11 LEU 89 1HD1 LEU 89 -4.740 -1.287 19.376 664 HD12 LEU 89 2HD1 LEU 89 -2.979 -1.333 19.449 665 HD13 LEU 89 3HD1 LEU 89 -3.786 -0.189 18.377 666 HD21 LEU 89 1HD2 LEU 89 -2.214 1.645 20.857 667 HD22 LEU 89 2HD2 LEU 89 -1.745 0.009 20.393 668 HD23 LEU 89 3HD2 LEU 89 -2.392 0.318 22.006 669 H PHE 90 H PHE 90 -3.588 4.259 21.091 670 HA PHE 90 HA PHE 90 -2.048 3.482 23.287 671 HB2 PHE 90 2HB PHE 90 -2.016 5.571 21.430 672 HB3 PHE 90 3HB PHE 90 -2.140 6.366 22.996 673 HD1 PHE 90 HD1 PHE 90 0.030 4.796 20.661 674 HD2 PHE 90 HD2 PHE 90 -0.451 5.689 24.794 675 HE1 PHE 90 HE1 PHE 90 2.445 4.476 21.007 676 HE2 PHE 90 HE2 PHE 90 1.963 5.371 25.147 677 HZ PHE 90 HZ PHE 90 3.415 4.765 23.252 678 H ASP 91 H ASP 91 -4.976 5.398 23.094 679 HA ASP 91 HA ASP 91 -5.295 5.162 25.978 680 HB2 ASP 91 2HB ASP 91 -5.722 7.860 24.719 681 HB3 ASP 91 3HB ASP 91 -5.562 7.453 26.425 682 H LEU 92 H LEU 92 -7.258 4.384 26.318 683 HA LEU 92 HA LEU 92 -9.226 4.095 24.370 684 HB2 LEU 92 2HB LEU 92 -10.740 3.539 26.233 685 HB3 LEU 92 3HB LEU 92 -9.194 2.697 26.319 686 HG LEU 92 HG LEU 92 -8.939 5.053 27.859 687 HD11 LEU 92 1HD1 LEU 92 -11.235 3.506 28.947 688 HD12 LEU 92 2HD1 LEU 92 -11.548 4.755 27.742 689 HD13 LEU 92 3HD1 LEU 92 -10.744 5.172 29.256 690 HD21 LEU 92 1HD2 LEU 92 -9.426 2.468 29.199 691 HD22 LEU 92 2HD2 LEU 92 -8.091 3.607 29.375 692 HD23 LEU 92 3HD2 LEU 92 -8.130 2.499 28.003 693 H ASP 93 H ASP 93 -8.675 6.667 26.689 694 HA ASP 93 HA ASP 93 -11.103 8.043 25.792 695 HB2 ASP 93 2HB ASP 93 -9.419 8.147 28.225 696 HB3 ASP 93 3HB ASP 93 -10.094 9.683 27.689 697 H LYS 94 H LYS 94 -10.788 10.532 25.685 698 HA LYS 94 HA LYS 94 -8.311 11.126 24.206 699 HB2 LYS 94 2HB LYS 94 -9.732 12.644 22.769 700 HB3 LYS 94 3HB LYS 94 -9.985 10.919 22.533 701 HG2 LYS 94 2HG LYS 94 -11.783 11.835 24.542 702 HG3 LYS 94 3HG LYS 94 -11.893 12.906 23.143 703 HD2 LYS 94 2HD LYS 94 -12.717 11.274 21.788 704 HD3 LYS 94 3HD LYS 94 -11.820 9.992 22.606 705 HE2 LYS 94 2HE LYS 94 -13.909 11.313 24.209 706 HE3 LYS 94 3HE LYS 94 -14.488 10.370 22.837 707 HZ1 LYS 94 1HZ LYS 94 -14.329 9.065 24.892 708 HZ2 LYS 94 2HZ LYS 94 -12.662 9.346 24.943 709 HZ3 LYS 94 3HZ LYS 94 -13.330 8.451 23.672 710 H LYS 95 H LYS 95 -7.707 11.897 26.406 711 HA LYS 95 HA LYS 95 -9.007 14.196 27.495 712 HB2 LYS 95 2HB LYS 95 -6.984 14.317 28.959 713 HB3 LYS 95 3HB LYS 95 -7.797 12.758 28.987 714 HG2 LYS 95 2HG LYS 95 -5.834 12.667 26.948 715 HG3 LYS 95 3HG LYS 95 -5.084 13.341 28.397 716 HD2 LYS 95 2HD LYS 95 -6.826 10.995 28.814 717 HD3 LYS 95 3HD LYS 95 -5.328 10.698 27.927 718 HE2 LYS 95 2HE LYS 95 -4.297 12.130 29.891 719 HE3 LYS 95 3HE LYS 95 -5.737 11.575 30.743 720 HZ1 LYS 95 1HZ LYS 95 -4.759 9.330 29.541 721 HZ2 LYS 95 2HZ LYS 95 -4.582 9.742 31.171 722 HZ3 LYS 95 3HZ LYS 95 -3.365 10.134 30.064 723 H GLY 96 H GLY 96 -6.308 13.656 25.319 724 HA2 GLY 96 2HA GLY 96 -5.299 15.124 23.852 725 HA3 GLY 96 3HA GLY 96 -6.442 16.355 24.370 726 H LYS 97 H LYS 97 -4.737 14.847 26.905 727 HA LYS 97 HA LYS 97 -2.909 17.154 27.064 728 HB2 LYS 97 2HB LYS 97 -4.171 15.610 29.338 729 HB3 LYS 97 3HB LYS 97 -3.037 16.942 29.515 730 HG2 LYS 97 2HG LYS 97 -4.706 18.370 28.277 731 HG3 LYS 97 3HG LYS 97 -5.847 17.035 28.456 732 HD2 LYS 97 2HD LYS 97 -4.404 18.196 30.820 733 HD3 LYS 97 3HD LYS 97 -5.900 18.909 30.210 734 HE2 LYS 97 2HE LYS 97 -6.637 16.327 30.341 735 HE3 LYS 97 3HE LYS 97 -5.446 16.363 31.640 736 HZ1 LYS 97 1HZ LYS 97 -7.952 16.965 32.060 737 HZ2 LYS 97 2HZ LYS 97 -7.446 18.497 31.554 738 HZ3 LYS 97 3HZ LYS 97 -6.709 17.761 32.887 739 H ILE 98 H ILE 98 -1.010 16.371 26.342 740 HA ILE 98 HA ILE 98 0.118 14.075 27.787 741 HB ILE 98 HB ILE 98 0.384 14.520 24.811 742 HG12 ILE 98 2HG1 ILE 98 -0.660 11.977 25.327 743 HG13 ILE 98 3HG1 ILE 98 -1.537 13.050 26.412 744 HG21 ILE 98 1HG2 ILE 98 2.410 13.588 25.473 745 HG22 ILE 98 2HG2 ILE 98 1.657 12.592 26.716 746 HG23 ILE 98 3HG2 ILE 98 1.450 12.182 25.014 747 HD11 ILE 98 1HD1 ILE 98 -2.675 12.746 24.269 748 HD12 ILE 98 2HD1 ILE 98 -2.214 14.426 24.542 749 HD13 ILE 98 3HD1 ILE 98 -1.275 13.422 23.438 750 H SER 99 H SER 99 2.090 14.439 28.580 751 HA SER 99 HA SER 99 3.298 16.969 28.448 752 HB2 SER 99 2HB SER 99 4.316 14.285 29.379 753 HB3 SER 99 3HB SER 99 5.289 15.752 29.489 754 HG SER 99 HG SER 99 3.864 16.601 30.918 755 H PHE 100 H PHE 100 4.781 17.846 27.132 756 HA PHE 100 HA PHE 100 5.308 16.763 24.609 757 HB2 PHE 100 2HB PHE 100 6.918 18.600 24.348 758 HB3 PHE 100 3HB PHE 100 5.415 19.168 25.069 759 HD1 PHE 100 HD1 PHE 100 5.335 19.862 27.394 760 HD2 PHE 100 HD2 PHE 100 8.971 18.570 25.599 761 HE1 PHE 100 HE1 PHE 100 6.600 20.833 29.267 762 HE2 PHE 100 HE2 PHE 100 10.243 19.538 27.470 763 HZ PHE 100 HZ PHE 100 9.057 20.670 29.308 764 H ALA 101 H ALA 101 7.169 16.692 27.594 765 HA ALA 101 HA ALA 101 9.581 15.703 26.566 766 HB1 ALA 101 1HB ALA 101 9.985 14.889 28.884 767 HB2 ALA 101 2HB ALA 101 9.496 16.581 28.792 768 HB3 ALA 101 3HB ALA 101 8.331 15.353 29.285 769 H ASN 102 H ASN 102 6.907 13.910 28.108 770 HA ASN 102 HA ASN 102 7.907 11.348 27.718 771 HB2 ASN 102 2HB ASN 102 5.077 12.377 27.903 772 HB3 ASN 102 3HB ASN 102 5.448 10.660 27.785 773 HD21 ASN 102 1HD2 ASN 102 4.090 11.468 29.927 774 HD22 ASN 102 2HD2 ASN 102 5.085 11.454 31.340 775 H LEU 103 H LEU 103 5.787 13.267 25.612 776 HA LEU 103 HA LEU 103 5.361 11.372 23.620 777 HB2 LEU 103 2HB LEU 103 4.142 13.478 23.758 778 HB3 LEU 103 3HB LEU 103 5.610 14.365 23.353 779 HG LEU 103 HG LEU 103 5.511 12.912 21.168 780 HD11 LEU 103 1HD1 LEU 103 3.597 11.873 20.652 781 HD12 LEU 103 2HD1 LEU 103 2.600 13.151 21.345 782 HD13 LEU 103 3HD1 LEU 103 3.291 11.908 22.388 783 HD21 LEU 103 1HD2 LEU 103 5.419 15.297 21.121 784 HD22 LEU 103 2HD2 LEU 103 3.777 15.303 21.764 785 HD23 LEU 103 3HD2 LEU 103 4.086 14.690 20.139 786 H LYS 104 H LYS 104 7.952 13.777 23.928 787 HA LYS 104 HA LYS 104 9.257 13.237 21.512 788 HB2 LYS 104 2HB LYS 104 9.638 15.136 23.234 789 HB3 LYS 104 3HB LYS 104 10.740 14.006 24.010 790 HG2 LYS 104 2HG LYS 104 11.291 14.116 21.203 791 HG3 LYS 104 3HG LYS 104 11.274 15.746 21.880 792 HD2 LYS 104 2HD LYS 104 12.826 13.439 23.048 793 HD3 LYS 104 3HD LYS 104 13.508 14.634 21.943 794 HE2 LYS 104 2HE LYS 104 12.082 15.746 24.261 795 HE3 LYS 104 3HE LYS 104 13.543 14.838 24.650 796 HZ1 LYS 104 1HZ LYS 104 13.977 16.580 22.449 797 HZ2 LYS 104 2HZ LYS 104 14.798 16.498 23.925 798 HZ3 LYS 104 3HZ LYS 104 13.402 17.444 23.785 799 H GLU 105 H GLU 105 9.844 11.912 24.763 800 HA GLU 105 HA GLU 105 11.984 10.254 24.154 801 HB2 GLU 105 2HB GLU 105 11.242 10.680 26.444 802 HB3 GLU 105 3HB GLU 105 9.758 9.786 26.146 803 HG2 GLU 105 2HG GLU 105 10.738 7.813 26.484 804 HG3 GLU 105 3HG GLU 105 12.174 8.260 25.565 805 H VAL 106 H VAL 106 8.521 9.409 24.199 806 HA VAL 106 HA VAL 106 8.761 6.774 23.340 807 HB VAL 106 HB VAL 106 6.504 8.693 22.746 808 HG11 VAL 106 1HG1 VAL 106 6.073 6.909 21.348 809 HG12 VAL 106 2HG1 VAL 106 6.809 5.737 22.443 810 HG13 VAL 106 3HG1 VAL 106 5.229 6.425 22.819 811 HG21 VAL 106 1HG2 VAL 106 5.924 6.821 24.816 812 HG22 VAL 106 2HG2 VAL 106 7.433 7.647 25.203 813 HG23 VAL 106 3HG2 VAL 106 5.970 8.582 24.899 814 H ALA 107 H ALA 107 8.547 9.761 21.467 815 HA ALA 107 HA ALA 107 8.266 8.634 18.921 816 HB1 ALA 107 1HB ALA 107 9.222 11.247 19.967 817 HB2 ALA 107 2HB ALA 107 9.543 10.855 18.277 818 HB3 ALA 107 3HB ALA 107 7.884 10.885 18.876 819 H LYS 108 H LYS 108 11.225 9.699 20.599 820 HA LYS 108 HA LYS 108 13.024 8.868 18.608 821 HB2 LYS 108 2HB LYS 108 13.443 9.175 21.586 822 HB3 LYS 108 3HB LYS 108 14.735 8.977 20.409 823 HG2 LYS 108 2HG LYS 108 12.774 11.207 20.103 824 HG3 LYS 108 3HG LYS 108 14.104 11.346 21.255 825 HD2 LYS 108 2HD LYS 108 15.515 10.528 19.170 826 HD3 LYS 108 3HD LYS 108 14.161 11.231 18.283 827 HE2 LYS 108 2HE LYS 108 14.505 13.361 19.352 828 HE3 LYS 108 3HE LYS 108 15.745 12.678 20.402 829 HZ1 LYS 108 1HZ LYS 108 17.265 13.057 18.857 830 HZ2 LYS 108 2HZ LYS 108 16.099 13.839 17.915 831 HZ3 LYS 108 3HZ LYS 108 16.393 12.188 17.697 832 H LEU 109 H LEU 109 11.505 7.157 21.256 833 HA LEU 109 HA LEU 109 13.137 4.902 21.387 834 HB2 LEU 109 2HB LEU 109 11.275 5.509 22.944 835 HB3 LEU 109 3HB LEU 109 10.143 4.940 21.719 836 HG LEU 109 HG LEU 109 11.635 2.735 21.966 837 HD11 LEU 109 1HD1 LEU 109 11.571 3.613 24.811 838 HD12 LEU 109 2HD1 LEU 109 12.926 4.099 23.794 839 HD13 LEU 109 3HD1 LEU 109 12.570 2.388 24.028 840 HD21 LEU 109 1HD2 LEU 109 9.121 3.694 23.003 841 HD22 LEU 109 2HD2 LEU 109 9.846 2.513 24.093 842 HD23 LEU 109 3HD2 LEU 109 9.553 2.092 22.405 843 H LEU 110 H LEU 110 10.667 5.795 19.086 844 HA LEU 110 HA LEU 110 10.379 3.223 17.898 845 HB2 LEU 110 2HB LEU 110 9.832 5.910 16.653 846 HB3 LEU 110 3HB LEU 110 9.176 4.354 16.148 847 HG LEU 110 HG LEU 110 8.590 5.386 18.891 848 HD11 LEU 110 1HD1 LEU 110 7.001 6.136 16.446 849 HD12 LEU 110 2HD1 LEU 110 8.126 7.220 17.264 850 HD13 LEU 110 3HD1 LEU 110 6.702 6.622 18.115 851 HD21 LEU 110 1HD2 LEU 110 8.014 3.056 18.008 852 HD22 LEU 110 2HD2 LEU 110 6.812 3.870 17.007 853 HD23 LEU 110 3HD2 LEU 110 6.720 3.985 18.765 854 H GLY 111 H GLY 111 12.814 5.584 17.763 855 HA2 GLY 111 2HA GLY 111 14.889 5.360 16.716 856 HA3 GLY 111 3HA GLY 111 14.234 4.046 15.751 857 H GLU 112 H GLU 112 12.400 6.951 15.883 858 HA GLU 112 HA GLU 112 13.050 7.456 13.077 859 HB2 GLU 112 2HB GLU 112 10.650 7.219 14.067 860 HB3 GLU 112 3HB GLU 112 10.890 8.878 14.595 861 HG2 GLU 112 2HG GLU 112 9.825 9.150 12.575 862 HG3 GLU 112 3HG GLU 112 11.522 9.322 12.131 863 H ASN 113 H ASN 113 14.098 9.225 12.389 864 HA ASN 113 HA ASN 113 14.781 11.267 14.401 865 HB2 ASN 113 2HB ASN 113 16.383 9.881 12.337 866 HB3 ASN 113 3HB ASN 113 16.681 11.609 12.498 867 HD21 ASN 113 1HD2 ASN 113 17.402 12.418 14.511 868 HD22 ASN 113 2HD2 ASN 113 18.208 11.389 15.641 869 HA PRO 114 HA PRO 114 12.208 13.320 11.122 870 HB2 PRO 114 2HB PRO 114 10.677 14.722 12.872 871 HB3 PRO 114 3HB PRO 114 10.291 13.074 12.364 872 HG2 PRO 114 2HG PRO 114 11.634 14.019 14.867 873 HG3 PRO 114 3HG PRO 114 10.384 12.776 14.669 874 HD2 PRO 114 2HD PRO 114 13.005 12.171 14.975 875 HD3 PRO 114 3HD PRO 114 11.903 11.177 14.001 876 H GLY 115 H GLY 115 11.837 15.717 10.859 877 HA2 GLY 115 2HA GLY 115 14.304 17.094 11.342 878 HA3 GLY 115 3HA GLY 115 12.890 17.745 10.527 879 H ASP 116 H ASP 116 14.798 18.639 12.788 880 HA ASP 116 HA ASP 116 13.433 18.874 15.190 881 HB2 ASP 116 2HB ASP 116 15.238 20.976 13.977 882 HB3 ASP 116 3HB ASP 116 14.886 20.746 15.687 883 H ASP 117 H ASP 117 13.183 20.821 12.265 884 HA ASP 117 HA ASP 117 11.640 22.923 13.264 885 HB2 ASP 117 2HB ASP 117 11.033 23.383 10.981 886 HB3 ASP 117 3HB ASP 117 12.708 22.837 11.002 887 H VAL 118 H VAL 118 10.715 19.714 12.153 888 HA VAL 118 HA VAL 118 7.911 20.174 12.173 889 HB VAL 118 HB VAL 118 9.334 17.528 12.485 890 HG11 VAL 118 1HG1 VAL 118 7.019 17.310 13.009 891 HG12 VAL 118 2HG1 VAL 118 6.550 18.274 11.607 892 HG13 VAL 118 3HG1 VAL 118 7.253 16.672 11.382 893 HG21 VAL 118 1HG2 VAL 118 10.233 18.256 10.503 894 HG22 VAL 118 2HG2 VAL 118 8.751 17.497 9.923 895 HG23 VAL 118 3HG2 VAL 118 8.832 19.250 10.104 896 H LEU 119 H LEU 119 10.239 19.227 14.596 897 HA LEU 119 HA LEU 119 8.354 18.282 16.512 898 HB2 LEU 119 2HB LEU 119 11.086 18.238 16.264 899 HB3 LEU 119 3HB LEU 119 10.841 19.389 17.576 900 HG LEU 119 HG LEU 119 11.226 17.198 18.491 901 HD11 LEU 119 1HD1 LEU 119 9.106 18.819 19.128 902 HD12 LEU 119 2HD1 LEU 119 9.697 17.466 20.094 903 HD13 LEU 119 3HD1 LEU 119 8.353 17.231 18.976 904 HD21 LEU 119 1HD2 LEU 119 8.742 16.076 17.315 905 HD22 LEU 119 2HD2 LEU 119 10.225 15.265 17.819 906 HD23 LEU 119 3HD2 LEU 119 10.178 16.152 16.294 907 H GLN 120 H GLN 120 10.261 21.294 16.348 908 HA GLN 120 HA GLN 120 9.007 22.563 18.509 909 HB2 GLN 120 2HB GLN 120 10.158 23.988 16.114 910 HB3 GLN 120 3HB GLN 120 10.058 24.570 17.771 911 HG2 GLN 120 2HG GLN 120 11.901 22.521 16.607 912 HG3 GLN 120 3HG GLN 120 12.292 23.994 17.493 913 HE21 GLN 120 1HE2 GLN 120 10.721 23.803 19.691 914 HE22 GLN 120 2HE2 GLN 120 11.174 22.428 20.633 915 H GLU 121 H GLU 121 8.308 22.669 15.035 916 HA GLU 121 HA GLU 121 6.241 24.571 15.159 917 HB2 GLU 121 2HB GLU 121 6.903 22.395 13.188 918 HB3 GLU 121 3HB GLU 121 5.505 23.439 12.973 919 HG2 GLU 121 2HG GLU 121 6.907 25.385 12.864 920 HG3 GLU 121 3HG GLU 121 8.334 24.424 13.249 921 H MET 122 H MET 122 6.166 21.025 15.264 922 HA MET 122 HA MET 122 3.406 20.671 15.312 923 HB2 MET 122 2HB MET 122 4.914 18.800 15.013 924 HB3 MET 122 3HB MET 122 5.581 19.034 16.623 925 HG2 MET 122 2HG MET 122 3.483 18.408 17.630 926 HG3 MET 122 3HG MET 122 2.726 18.288 16.043 927 HE1 MET 122 1HE MET 122 2.168 15.122 16.374 928 HE2 MET 122 2HE MET 122 3.025 14.886 17.898 929 HE3 MET 122 3HE MET 122 2.073 16.349 17.638 930 H ILE 123 H ILE 123 5.641 20.853 18.085 931 HA ILE 123 HA ILE 123 3.702 20.748 20.093 932 HB ILE 123 HB ILE 123 6.375 22.153 20.162 933 HG12 ILE 123 2HG1 ILE 123 6.496 19.747 19.591 934 HG13 ILE 123 3HG1 ILE 123 7.214 20.097 21.160 935 HG21 ILE 123 1HG2 ILE 123 5.312 22.992 22.024 936 HG22 ILE 123 2HG2 ILE 123 4.347 21.536 22.261 937 HG23 ILE 123 3HG2 ILE 123 6.061 21.536 22.679 938 HD11 ILE 123 1HD1 ILE 123 4.486 18.924 20.676 939 HD12 ILE 123 2HD1 ILE 123 5.916 18.062 21.247 940 HD13 ILE 123 3HD1 ILE 123 5.174 19.304 22.255 941 H ALA 124 H ALA 124 4.996 23.483 18.283 942 HA ALA 124 HA ALA 124 3.881 25.558 19.795 943 HB1 ALA 124 1HB ALA 124 5.474 26.242 18.257 944 HB2 ALA 124 2HB ALA 124 4.744 25.323 16.939 945 HB3 ALA 124 3HB ALA 124 3.967 26.794 17.525 946 H GLU 125 H GLU 125 2.583 23.810 16.985 947 HA GLU 125 HA GLU 125 0.169 25.265 16.821 948 HB2 GLU 125 2HB GLU 125 0.987 22.539 15.834 949 HB3 GLU 125 3HB GLU 125 -0.625 23.184 15.558 950 HG2 GLU 125 2HG GLU 125 1.935 24.491 14.668 951 HG3 GLU 125 3HG GLU 125 0.883 23.512 13.647 952 H ALA 126 H ALA 126 0.874 22.072 18.234 953 HA ALA 126 HA ALA 126 -1.696 21.585 19.245 954 HB1 ALA 126 1HB ALA 126 0.251 20.394 20.953 955 HB2 ALA 126 2HB ALA 126 -0.760 19.633 19.724 956 HB3 ALA 126 3HB ALA 126 0.815 20.294 19.285 957 H ASP 127 H ASP 127 0.916 23.541 20.433 958 HA ASP 127 HA ASP 127 0.107 23.712 23.139 959 HB2 ASP 127 2HB ASP 127 2.345 24.357 22.538 960 HB3 ASP 127 3HB ASP 127 1.747 25.577 21.417 961 H GLU 128 H GLU 128 -0.968 25.273 20.234 962 HA GLU 128 HA GLU 128 -2.211 27.528 21.394 963 HB2 GLU 128 2HB GLU 128 -2.830 26.053 18.830 964 HB3 GLU 128 3HB GLU 128 -3.518 27.609 19.273 965 HG2 GLU 128 2HG GLU 128 -1.508 28.722 19.010 966 HG3 GLU 128 3HG GLU 128 -0.555 27.248 19.172 967 H ASP 129 H ASP 129 -3.151 24.201 21.095 968 HA ASP 129 HA ASP 129 -5.929 24.457 21.409 969 HB2 ASP 129 2HB ASP 129 -4.513 22.371 20.819 970 HB3 ASP 129 3HB ASP 129 -4.366 22.161 22.562 971 H GLY 130 H GLY 130 -3.302 24.359 23.755 972 HA2 GLY 130 2HA GLY 130 -5.177 25.328 25.790 973 HA3 GLY 130 3HA GLY 130 -4.245 23.882 26.150 974 H ASP 131 H ASP 131 -2.908 24.571 27.725 975 HA ASP 131 HA ASP 131 -1.066 26.758 27.029 976 HB2 ASP 131 2HB ASP 131 -2.779 27.474 28.719 977 HB3 ASP 131 3HB ASP 131 -2.139 26.245 29.808 978 H GLY 132 H GLY 132 0.512 25.272 26.383 979 HA2 GLY 132 2HA GLY 132 2.510 24.189 26.856 980 HA3 GLY 132 3HA GLY 132 2.079 24.201 28.560 981 H GLU 133 H GLU 133 -0.210 22.962 26.288 982 HA GLU 133 HA GLU 133 0.521 20.213 27.055 983 HB2 GLU 133 2HB GLU 133 -2.233 21.441 26.888 984 HB3 GLU 133 3HB GLU 133 -1.945 19.711 27.007 985 HG2 GLU 133 2HG GLU 133 -0.919 19.975 29.162 986 HG3 GLU 133 3HG GLU 133 -1.020 21.730 29.035 987 H VAL 134 H VAL 134 0.155 18.590 25.524 988 HA VAL 134 HA VAL 134 -0.090 19.585 22.772 989 HB VAL 134 HB VAL 134 1.002 16.944 23.755 990 HG11 VAL 134 1HG1 VAL 134 0.721 18.153 21.022 991 HG12 VAL 134 2HG1 VAL 134 1.932 16.918 21.369 992 HG13 VAL 134 3HG1 VAL 134 0.218 16.558 21.584 993 HG21 VAL 134 1HG2 VAL 134 3.191 17.837 23.197 994 HG22 VAL 134 2HG2 VAL 134 2.463 19.364 22.698 995 HG23 VAL 134 3HG2 VAL 134 2.398 18.868 24.389 996 H SER 135 H SER 135 -2.069 19.424 21.955 997 HA SER 135 HA SER 135 -3.689 17.062 22.646 998 HB2 SER 135 2HB SER 135 -4.750 19.107 23.403 999 HB3 SER 135 3HB SER 135 -4.568 19.835 21.807 1000 HG SER 135 HG SER 135 -6.080 17.494 22.343 1001 H PHE 136 H PHE 136 -3.364 15.614 21.066 1002 HA PHE 136 HA PHE 136 -2.673 16.115 18.426 1003 HB2 PHE 136 2HB PHE 136 -3.301 13.847 19.995 1004 HB3 PHE 136 3HB PHE 136 -4.307 13.757 18.553 1005 HD1 PHE 136 HD1 PHE 136 -1.201 12.934 19.914 1006 HD2 PHE 136 HD2 PHE 136 -3.015 14.263 16.300 1007 HE1 PHE 136 HE1 PHE 136 0.719 12.074 18.638 1008 HE2 PHE 136 HE2 PHE 136 -1.099 13.404 15.018 1009 HZ PHE 136 HZ PHE 136 0.771 12.307 16.187 1010 H GLU 137 H GLU 137 -5.809 16.108 19.963 1011 HA GLU 137 HA GLU 137 -7.509 15.864 17.803 1012 HB2 GLU 137 2HB GLU 137 -8.060 16.133 20.302 1013 HB3 GLU 137 3HB GLU 137 -7.999 17.863 19.998 1014 HG2 GLU 137 2HG GLU 137 -9.742 17.578 18.268 1015 HG3 GLU 137 3HG GLU 137 -9.848 15.874 18.705 1016 H GLU 138 H GLU 138 -5.734 18.704 18.913 1017 HA GLU 138 HA GLU 138 -6.939 20.583 17.196 1018 HB2 GLU 138 2HB GLU 138 -5.153 20.746 19.225 1019 HB3 GLU 138 3HB GLU 138 -4.083 20.974 17.849 1020 HG2 GLU 138 2HG GLU 138 -6.599 22.562 18.045 1021 HG3 GLU 138 3HG GLU 138 -5.190 23.021 19.000 1022 H PHE 139 H PHE 139 -3.957 18.677 16.850 1023 HA PHE 139 HA PHE 139 -3.147 19.663 14.374 1024 HB2 PHE 139 2HB PHE 139 -1.998 17.998 16.054 1025 HB3 PHE 139 3HB PHE 139 -2.753 16.772 15.042 1026 HD1 PHE 139 HD1 PHE 139 0.063 18.856 15.472 1027 HD2 PHE 139 HD2 PHE 139 -2.319 16.966 12.494 1028 HE1 PHE 139 HE1 PHE 139 1.923 19.041 13.872 1029 HE2 PHE 139 HE2 PHE 139 -0.463 17.146 10.890 1030 HZ PHE 139 HZ PHE 139 1.662 18.184 11.578 1031 H LYS 140 H LYS 140 -5.200 16.858 15.114 1032 HA LYS 140 HA LYS 140 -5.635 16.003 12.492 1033 HB2 LYS 140 2HB LYS 140 -6.297 14.954 14.808 1034 HB3 LYS 140 3HB LYS 140 -7.811 15.808 14.539 1035 HG2 LYS 140 2HG LYS 140 -8.427 13.936 13.488 1036 HG3 LYS 140 3HG LYS 140 -7.472 14.573 12.146 1037 HD2 LYS 140 2HD LYS 140 -6.250 12.857 14.289 1038 HD3 LYS 140 3HD LYS 140 -7.034 12.158 12.871 1039 HE2 LYS 140 2HE LYS 140 -4.880 12.279 12.115 1040 HE3 LYS 140 3HE LYS 140 -5.474 13.855 11.595 1041 HZ1 LYS 140 1HZ LYS 140 -3.880 14.783 12.792 1042 HZ2 LYS 140 2HZ LYS 140 -3.359 13.274 13.351 1043 HZ3 LYS 140 3HZ LYS 140 -4.542 14.130 14.205 1044 H SER 141 H SER 141 -7.566 18.217 14.497 1045 HA SER 141 HA SER 141 -9.602 18.742 12.681 1046 HB2 SER 141 2HB SER 141 -10.159 19.721 14.654 1047 HB3 SER 141 3HB SER 141 -8.483 20.092 15.058 1048 HG SER 141 HG SER 141 -10.219 21.809 14.319 1049 H VAL 142 H VAL 142 -6.497 20.413 13.103 1050 HA VAL 142 HA VAL 142 -6.871 22.394 11.161 1051 HB VAL 142 HB VAL 142 -4.273 21.095 11.997 1052 HG11 VAL 142 1HG1 VAL 142 -4.889 23.638 10.514 1053 HG12 VAL 142 2HG1 VAL 142 -3.348 23.357 11.325 1054 HG13 VAL 142 3HG1 VAL 142 -3.859 22.299 10.009 1055 HG21 VAL 142 1HG2 VAL 142 -4.370 22.229 13.912 1056 HG22 VAL 142 2HG2 VAL 142 -4.832 23.718 13.088 1057 HG23 VAL 142 3HG2 VAL 142 -6.066 22.544 13.546 1058 H MET 143 H MET 143 -5.419 19.163 10.901 1059 HA MET 143 HA MET 143 -4.621 19.302 8.232 1060 HB2 MET 143 2HB MET 143 -3.992 17.501 9.830 1061 HB3 MET 143 3HB MET 143 -5.623 16.856 9.699 1062 HG2 MET 143 2HG MET 143 -5.305 16.130 7.529 1063 HG3 MET 143 3HG MET 143 -3.958 17.231 7.251 1064 HE1 MET 143 1HE MET 143 -0.925 15.539 8.719 1065 HE2 MET 143 2HE MET 143 -1.471 16.290 7.219 1066 HE3 MET 143 3HE MET 143 -1.780 17.081 8.766 1067 H MET 144 H MET 144 -7.671 18.082 9.607 1068 HA MET 144 HA MET 144 -8.898 17.378 7.200 1069 HB2 MET 144 2HB MET 144 -9.620 16.987 9.683 1070 HB3 MET 144 3HB MET 144 -10.488 18.502 9.478 1071 HG2 MET 144 2HG MET 144 -11.791 17.591 7.694 1072 HG3 MET 144 3HG MET 144 -10.823 16.119 7.678 1073 HE1 MET 144 1HE MET 144 -12.531 18.316 10.474 1074 HE2 MET 144 2HE MET 144 -13.787 18.034 9.269 1075 HE3 MET 144 3HE MET 144 -13.920 17.305 10.870 1076 H GLN 145 H GLN 145 -8.848 20.458 8.939 1077 HA GLN 145 HA GLN 145 -10.688 21.837 7.340 1078 HB2 GLN 145 2HB GLN 145 -9.892 22.675 9.506 1079 HB3 GLN 145 3HB GLN 145 -8.290 22.924 8.826 1080 HG2 GLN 145 2HG GLN 145 -9.008 24.697 7.483 1081 HG3 GLN 145 3HG GLN 145 -10.707 24.274 7.683 1082 HE21 GLN 145 1HE2 GLN 145 -10.852 26.582 8.216 1083 HE22 GLN 145 2HE2 GLN 145 -10.567 27.068 9.849 1084 H MET 146 H MET 146 -7.160 21.549 7.071 1085 HA MET 146 HA MET 146 -6.842 23.240 4.854 1086 HB2 MET 146 2HB MET 146 -5.196 20.880 5.775 1087 HB3 MET 146 3HB MET 146 -4.698 21.988 4.504 1088 HG2 MET 146 2HG MET 146 -5.339 22.865 7.305 1089 HG3 MET 146 3HG MET 146 -3.721 22.422 6.766 1090 HE1 MET 146 1HE MET 146 -5.403 24.996 7.945 1091 HE2 MET 146 2HE MET 146 -3.706 25.469 7.883 1092 HE3 MET 146 3HE MET 146 -4.927 26.459 7.083 1093 H ARG 147 H ARG 147 -7.212 19.704 5.022 1094 HA ARG 147 HA ARG 147 -7.048 19.157 2.301 1095 HB2 ARG 147 2HB ARG 147 -8.413 17.795 4.597 1096 HB3 ARG 147 3HB ARG 147 -8.636 17.192 2.960 1097 HG2 ARG 147 2HG ARG 147 -5.920 17.612 4.171 1098 HG3 ARG 147 3HG ARG 147 -6.818 16.101 4.333 1099 HD2 ARG 147 2HD ARG 147 -6.812 16.953 1.593 1100 HD3 ARG 147 3HD ARG 147 -5.162 16.906 2.211 1101 HE ARG 147 HE ARG 147 -6.618 14.557 2.900 1102 HH11 ARG 147 1HH1 ARG 147 -4.899 16.121 0.307 1103 HH12 ARG 147 2HH1 ARG 147 -4.479 14.638 -0.484 1104 HH21 ARG 147 1HH2 ARG 147 -6.071 12.597 1.867 1105 HH22 ARG 147 2HH2 ARG 147 -5.147 12.634 0.404 1106 H GLY 148 H GLY 148 -9.855 20.065 4.264 1107 HA2 GLY 148 2HA GLY 148 -11.813 19.747 2.271 1108 HA3 GLY 148 3HA GLY 148 -11.949 20.795 3.675 1109 H LYS 149 H LYS 149 -10.393 22.811 3.420 1110 HA LYS 149 HA LYS 149 -11.465 24.369 1.340 1111 HB2 LYS 149 2HB LYS 149 -10.050 26.131 2.121 1112 HB3 LYS 149 3HB LYS 149 -10.585 25.225 3.530 1113 HG2 LYS 149 2HG LYS 149 -8.481 24.938 4.140 1114 HG3 LYS 149 3HG LYS 149 -8.161 24.067 2.639 1115 HD2 LYS 149 2HD LYS 149 -6.672 25.748 2.337 1116 HD3 LYS 149 3HD LYS 149 -8.096 26.584 1.713 1117 HE2 LYS 149 2HE LYS 149 -8.344 27.859 3.627 1118 HE3 LYS 149 3HE LYS 149 -7.452 26.715 4.628 1119 HZ1 LYS 149 1HZ LYS 149 -6.353 28.629 2.650 1120 HZ2 LYS 149 2HZ LYS 149 -5.438 27.371 3.315 1121 HZ3 LYS 149 3HZ LYS 149 -6.066 28.581 4.317 Start of MODEL 9 1 H1 MET 1 H MET 1 -0.216 0.691 0.419 2 HA MET 1 HA MET 1 0.677 -0.551 -1.735 3 HB2 MET 1 2HB MET 1 -1.906 0.778 -2.446 4 HB3 MET 1 3HB MET 1 -0.622 0.711 -3.646 5 HG2 MET 1 2HG MET 1 -0.617 -1.661 -3.634 6 HG3 MET 1 3HG MET 1 -1.670 -1.716 -2.222 7 HE1 MET 1 1HE MET 1 -2.691 -0.428 -6.445 8 HE2 MET 1 2HE MET 1 -2.875 0.896 -5.294 9 HE3 MET 1 3HE MET 1 -1.322 0.074 -5.452 10 H ALA 2 H ALA 2 -0.814 2.691 -1.742 11 HA ALA 2 HA ALA 2 1.892 3.847 -1.767 12 HB1 ALA 2 1HB ALA 2 -0.370 4.401 -3.650 13 HB2 ALA 2 2HB ALA 2 0.855 5.628 -3.321 14 HB3 ALA 2 3HB ALA 2 1.326 4.074 -4.008 15 H ALA 3 H ALA 3 2.149 5.770 -0.673 16 HA ALA 3 HA ALA 3 -0.127 6.567 1.009 17 HB1 ALA 3 1HB ALA 3 2.045 7.778 2.128 18 HB2 ALA 3 2HB ALA 3 1.395 6.212 2.613 19 HB3 ALA 3 3HB ALA 3 2.747 6.294 1.483 20 H LEU 4 H LEU 4 -0.580 8.777 1.353 21 HA LEU 4 HA LEU 4 -0.517 10.400 -0.910 22 HB2 LEU 4 2HB LEU 4 -1.090 12.252 0.742 23 HB3 LEU 4 3HB LEU 4 -2.183 10.873 0.648 24 HG LEU 4 HG LEU 4 -0.189 10.467 2.696 25 HD11 LEU 4 1HD1 LEU 4 -0.227 12.953 2.720 26 HD12 LEU 4 2HD1 LEU 4 -0.798 12.213 4.215 27 HD13 LEU 4 3HD1 LEU 4 -1.955 12.879 3.063 28 HD21 LEU 4 1HD2 LEU 4 -3.153 10.840 3.020 29 HD22 LEU 4 2HD2 LEU 4 -2.056 9.855 3.988 30 HD23 LEU 4 3HD2 LEU 4 -2.456 9.370 2.339 31 H THR 5 H THR 5 1.614 10.321 1.903 32 HA THR 5 HA THR 5 3.082 12.623 1.515 33 HB THR 5 HB THR 5 4.887 11.593 2.737 34 HG1 THR 5 HG1 THR 5 5.294 9.530 2.527 35 HG21 THR 5 1HG2 THR 5 2.264 11.716 3.635 36 HG22 THR 5 2HG2 THR 5 3.707 11.558 4.636 37 HG23 THR 5 3HG2 THR 5 2.817 10.119 4.139 38 H ASP 6 H ASP 6 3.559 9.443 0.020 39 HA ASP 6 HA ASP 6 5.917 9.993 -1.365 40 HB2 ASP 6 2HB ASP 6 3.646 8.183 -2.214 41 HB3 ASP 6 3HB ASP 6 5.293 8.129 -2.836 42 H GLU 7 H GLU 7 2.539 10.397 -2.387 43 HA GLU 7 HA GLU 7 3.096 11.331 -4.982 44 HB2 GLU 7 2HB GLU 7 0.866 10.524 -4.062 45 HB3 GLU 7 3HB GLU 7 0.696 12.114 -3.332 46 HG2 GLU 7 2HG GLU 7 0.267 13.129 -5.303 47 HG3 GLU 7 3HG GLU 7 1.322 12.051 -6.215 48 H GLN 8 H GLN 8 2.886 12.956 -1.880 49 HA GLN 8 HA GLN 8 2.801 15.607 -2.833 50 HB2 GLN 8 2HB GLN 8 2.397 14.690 -0.446 51 HB3 GLN 8 3HB GLN 8 4.141 14.825 -0.260 52 HG2 GLN 8 2HG GLN 8 4.079 17.055 -0.083 53 HG3 GLN 8 3HG GLN 8 2.839 17.223 -1.325 54 HE21 GLN 8 1HE2 GLN 8 1.138 18.216 -0.536 55 HE22 GLN 8 2HE2 GLN 8 0.436 17.962 1.022 56 H ILE 9 H ILE 9 5.560 13.718 -1.590 57 HA ILE 9 HA ILE 9 7.526 15.624 -2.209 58 HB ILE 9 HB ILE 9 9.138 13.731 -2.068 59 HG12 ILE 9 2HG1 ILE 9 6.628 12.089 -1.660 60 HG13 ILE 9 3HG1 ILE 9 7.713 11.986 -3.043 61 HG21 ILE 9 1HG2 ILE 9 9.098 13.968 0.148 62 HG22 ILE 9 2HG2 ILE 9 7.616 14.894 -0.079 63 HG23 ILE 9 3HG2 ILE 9 7.531 13.170 0.282 64 HD11 ILE 9 1HD1 ILE 9 9.401 11.586 -0.924 65 HD12 ILE 9 2HD1 ILE 9 7.920 10.778 -0.409 66 HD13 ILE 9 3HD1 ILE 9 8.687 10.328 -1.932 67 H ARG 10 H ARG 10 6.049 13.082 -4.118 68 HA ARG 10 HA ARG 10 7.903 13.055 -6.242 69 HB2 ARG 10 2HB ARG 10 6.268 11.270 -5.926 70 HB3 ARG 10 3HB ARG 10 4.953 12.396 -6.237 71 HG2 ARG 10 2HG ARG 10 5.329 11.067 -8.194 72 HG3 ARG 10 3HG ARG 10 5.832 12.726 -8.525 73 HD2 ARG 10 2HD ARG 10 8.176 12.016 -7.960 74 HD3 ARG 10 3HD ARG 10 7.586 10.355 -7.919 75 HE ARG 10 HE ARG 10 6.947 11.713 -10.359 76 HH11 ARG 10 1HH1 ARG 10 9.410 9.933 -8.660 77 HH12 ARG 10 2HH1 ARG 10 10.200 9.393 -10.105 78 HH21 ARG 10 1HH2 ARG 10 7.978 11.008 -12.268 79 HH22 ARG 10 2HH2 ARG 10 9.385 10.006 -12.156 80 H GLU 11 H GLU 11 4.826 14.796 -5.837 81 HA GLU 11 HA GLU 11 4.932 16.145 -8.314 82 HB2 GLU 11 2HB GLU 11 3.270 16.184 -5.927 83 HB3 GLU 11 3HB GLU 11 3.487 17.793 -6.602 84 HG2 GLU 11 2HG GLU 11 2.952 16.233 -8.812 85 HG3 GLU 11 3HG GLU 11 1.898 15.568 -7.565 86 H ALA 12 H ALA 12 6.077 16.985 -5.084 87 HA ALA 12 HA ALA 12 6.780 19.654 -5.589 88 HB1 ALA 12 1HB ALA 12 6.630 18.707 -3.337 89 HB2 ALA 12 2HB ALA 12 8.060 17.724 -3.657 90 HB3 ALA 12 3HB ALA 12 8.191 19.482 -3.613 91 H PHE 13 H PHE 13 8.851 16.747 -5.587 92 HA PHE 13 HA PHE 13 11.175 18.018 -6.493 93 HB2 PHE 13 2HB PHE 13 11.303 15.821 -5.511 94 HB3 PHE 13 3HB PHE 13 10.269 15.148 -6.767 95 HD1 PHE 13 HD1 PHE 13 11.533 13.610 -7.927 96 HD2 PHE 13 HD2 PHE 13 13.223 17.403 -6.991 97 HE1 PHE 13 HE1 PHE 13 13.522 13.050 -9.263 98 HE2 PHE 13 HE2 PHE 13 15.214 16.849 -8.327 99 HZ PHE 13 HZ PHE 13 15.365 14.671 -9.466 100 H ASN 14 H ASN 14 8.460 16.621 -8.234 101 HA ASN 14 HA ASN 14 9.589 16.646 -10.811 102 HB2 ASN 14 2HB ASN 14 7.499 15.439 -10.175 103 HB3 ASN 14 3HB ASN 14 6.673 16.992 -10.085 104 HD21 ASN 14 1HD2 ASN 14 5.492 17.390 -11.795 105 HD22 ASN 14 2HD2 ASN 14 5.852 16.927 -13.420 106 H LEU 15 H LEU 15 7.633 19.054 -9.087 107 HA LEU 15 HA LEU 15 7.501 20.930 -11.180 108 HB2 LEU 15 2HB LEU 15 6.467 20.718 -8.644 109 HB3 LEU 15 3HB LEU 15 7.579 22.077 -8.497 110 HG LEU 15 HG LEU 15 5.342 22.867 -8.967 111 HD11 LEU 15 1HD1 LEU 15 6.175 23.585 -11.554 112 HD12 LEU 15 2HD1 LEU 15 7.637 23.405 -10.585 113 HD13 LEU 15 3HD1 LEU 15 6.361 24.503 -10.059 114 HD21 LEU 15 1HD2 LEU 15 5.454 20.766 -11.035 115 HD22 LEU 15 2HD2 LEU 15 4.661 22.271 -11.499 116 HD23 LEU 15 3HD2 LEU 15 4.087 21.368 -10.096 117 H PHE 16 H PHE 16 9.688 20.726 -8.380 118 HA PHE 16 HA PHE 16 11.222 22.984 -8.914 119 HB2 PHE 16 2HB PHE 16 11.983 20.375 -7.593 120 HB3 PHE 16 3HB PHE 16 13.025 21.794 -7.614 121 HD1 PHE 16 HD1 PHE 16 11.313 20.089 -5.405 122 HD2 PHE 16 HD2 PHE 16 11.157 23.974 -7.139 123 HE1 PHE 16 HE1 PHE 16 10.184 20.939 -3.391 124 HE2 PHE 16 HE2 PHE 16 10.029 24.830 -5.127 125 HZ PHE 16 HZ PHE 16 9.541 23.312 -3.250 126 H ASP 17 H ASP 17 11.596 19.665 -10.080 127 HA ASP 17 HA ASP 17 14.014 20.154 -11.500 128 HB2 ASP 17 2HB ASP 17 12.956 17.900 -10.714 129 HB3 ASP 17 3HB ASP 17 12.098 17.972 -12.251 130 H ALA 18 H ALA 18 10.655 20.601 -12.215 131 HA ALA 18 HA ALA 18 10.612 20.544 -14.981 132 HB1 ALA 18 1HB ALA 18 9.117 22.608 -13.392 133 HB2 ALA 18 2HB ALA 18 8.628 21.793 -14.879 134 HB3 ALA 18 3HB ALA 18 8.679 20.899 -13.359 135 H ASP 19 H ASP 19 11.977 22.923 -12.837 136 HA ASP 19 HA ASP 19 12.132 25.146 -14.486 137 HB2 ASP 19 2HB ASP 19 13.042 24.530 -11.985 138 HB3 ASP 19 3HB ASP 19 14.551 24.639 -12.886 139 H GLY 20 H GLY 20 13.962 22.180 -14.561 140 HA2 GLY 20 2HA GLY 20 15.200 21.349 -16.348 141 HA3 GLY 20 3HA GLY 20 15.057 22.911 -17.140 142 H SER 21 H SER 21 16.154 22.815 -13.866 143 HA SER 21 HA SER 21 18.827 23.607 -14.788 144 HB2 SER 21 2HB SER 21 17.106 24.762 -12.922 145 HB3 SER 21 3HB SER 21 18.338 23.965 -11.943 146 HG SER 21 HG SER 21 19.912 25.133 -13.018 147 H GLY 22 H GLY 22 20.700 22.852 -13.601 148 HA2 GLY 22 2HA GLY 22 20.588 20.032 -13.135 149 HA3 GLY 22 3HA GLY 22 22.001 21.062 -12.955 150 H ALA 23 H ALA 23 20.354 22.816 -11.103 151 HA ALA 23 HA ALA 23 19.987 21.092 -8.792 152 HB1 ALA 23 1HB ALA 23 21.812 21.653 -7.635 153 HB2 ALA 23 2HB ALA 23 22.467 22.207 -9.177 154 HB3 ALA 23 3HB ALA 23 21.684 23.353 -8.088 155 H ILE 24 H ILE 24 19.028 22.223 -6.963 156 HA ILE 24 HA ILE 24 17.551 24.626 -7.818 157 HB ILE 24 HB ILE 24 16.667 22.545 -5.816 158 HG12 ILE 24 2HG1 ILE 24 14.880 22.612 -7.957 159 HG13 ILE 24 3HG1 ILE 24 16.469 22.672 -8.712 160 HG21 ILE 24 1HG2 ILE 24 15.730 24.651 -5.236 161 HG22 ILE 24 2HG2 ILE 24 15.332 25.007 -6.916 162 HG23 ILE 24 3HG2 ILE 24 14.468 23.733 -6.057 163 HD11 ILE 24 1HD1 ILE 24 16.822 20.523 -8.311 164 HD12 ILE 24 2HD1 ILE 24 16.361 20.689 -6.617 165 HD13 ILE 24 3HD1 ILE 24 15.125 20.419 -7.845 166 H ASP 25 H ASP 25 17.899 26.430 -6.709 167 HA ASP 25 HA ASP 25 19.433 26.285 -4.225 168 HB2 ASP 25 2HB ASP 25 18.715 28.693 -5.912 169 HB3 ASP 25 3HB ASP 25 19.825 28.677 -4.544 170 H ALA 26 H ALA 26 18.797 28.416 -2.813 171 HA ALA 26 HA ALA 26 16.287 27.735 -1.647 172 HB1 ALA 26 1HB ALA 26 18.498 29.586 -1.042 173 HB2 ALA 26 2HB ALA 26 16.912 30.057 -0.430 174 HB3 ALA 26 3HB ALA 26 17.602 28.497 0.018 175 H GLU 27 H GLU 27 17.440 30.413 -3.644 176 HA GLU 27 HA GLU 27 15.190 32.062 -3.468 177 HB2 GLU 27 2HB GLU 27 15.961 33.012 -5.629 178 HB3 GLU 27 3HB GLU 27 17.243 32.879 -4.434 179 HG2 GLU 27 2HG GLU 27 17.906 30.724 -5.544 180 HG3 GLU 27 3HG GLU 27 16.773 31.131 -6.831 181 H GLU 28 H GLU 28 15.924 29.396 -5.678 182 HA GLU 28 HA GLU 28 13.651 29.681 -7.319 183 HB2 GLU 28 2HB GLU 28 15.856 28.174 -7.486 184 HB3 GLU 28 3HB GLU 28 14.755 26.963 -6.845 185 HG2 GLU 28 2HG GLU 28 14.622 26.698 -9.149 186 HG3 GLU 28 3HG GLU 28 13.186 27.634 -8.739 187 H MET 29 H MET 29 14.240 27.766 -4.400 188 HA MET 29 HA MET 29 11.817 26.364 -4.361 189 HB2 MET 29 2HB MET 29 14.067 26.661 -2.669 190 HB3 MET 29 3HB MET 29 12.645 26.985 -1.686 191 HG2 MET 29 2HG MET 29 11.759 24.858 -2.055 192 HG3 MET 29 3HG MET 29 12.812 24.562 -3.436 193 HE1 MET 29 1HE MET 29 13.519 25.574 0.523 194 HE2 MET 29 2HE MET 29 12.168 24.490 0.190 195 HE3 MET 29 3HE MET 29 13.626 23.869 0.965 196 H ALA 30 H ALA 30 12.705 29.461 -2.863 197 HA ALA 30 HA ALA 30 10.223 29.942 -1.623 198 HB1 ALA 30 1HB ALA 30 11.573 32.369 -2.445 199 HB2 ALA 30 2HB ALA 30 11.258 31.744 -0.826 200 HB3 ALA 30 3HB ALA 30 12.684 31.209 -1.716 201 H LEU 31 H LEU 31 11.496 30.868 -4.797 202 HA LEU 31 HA LEU 31 9.405 32.521 -5.617 203 HB2 LEU 31 2HB LEU 31 11.740 31.593 -6.719 204 HB3 LEU 31 3HB LEU 31 10.513 30.838 -7.733 205 HG LEU 31 HG LEU 31 11.250 32.896 -8.746 206 HD11 LEU 31 1HD1 LEU 31 8.746 32.180 -8.606 207 HD12 LEU 31 2HD1 LEU 31 9.183 33.753 -9.272 208 HD13 LEU 31 3HD1 LEU 31 8.589 33.631 -7.616 209 HD21 LEU 31 1HD2 LEU 31 12.094 34.080 -6.839 210 HD22 LEU 31 2HD2 LEU 31 10.486 34.166 -6.120 211 HD23 LEU 31 3HD2 LEU 31 10.842 35.064 -7.596 212 H ALA 32 H ALA 32 9.832 29.021 -6.077 213 HA ALA 32 HA ALA 32 7.432 28.593 -7.487 214 HB1 ALA 32 1HB ALA 32 8.433 26.628 -7.724 215 HB2 ALA 32 2HB ALA 32 9.558 26.995 -6.416 216 HB3 ALA 32 3HB ALA 32 8.002 26.247 -6.057 217 H MET 33 H MET 33 8.209 28.258 -4.031 218 HA MET 33 HA MET 33 5.771 27.313 -3.122 219 HB2 MET 33 2HB MET 33 8.008 28.849 -1.919 220 HB3 MET 33 3HB MET 33 6.487 28.845 -1.036 221 HG2 MET 33 2HG MET 33 6.503 26.426 -0.960 222 HG3 MET 33 3HG MET 33 7.981 26.388 -1.919 223 HE1 MET 33 1HE MET 33 10.130 26.116 -1.016 224 HE2 MET 33 2HE MET 33 10.292 27.866 -0.871 225 HE3 MET 33 3HE MET 33 10.768 26.821 0.469 226 H LYS 34 H LYS 34 6.800 30.665 -3.647 227 HA LYS 34 HA LYS 34 4.440 31.876 -2.683 228 HB2 LYS 34 2HB LYS 34 6.495 33.146 -2.935 229 HB3 LYS 34 3HB LYS 34 6.488 32.872 -4.672 230 HG2 LYS 34 2HG LYS 34 4.347 34.137 -4.795 231 HG3 LYS 34 3HG LYS 34 4.538 34.524 -3.083 232 HD2 LYS 34 2HD LYS 34 6.514 35.216 -5.257 233 HD3 LYS 34 3HD LYS 34 5.341 36.332 -4.554 234 HE2 LYS 34 2HE LYS 34 6.558 35.376 -2.325 235 HE3 LYS 34 3HE LYS 34 7.889 35.333 -3.480 236 HZ1 LYS 34 1HZ LYS 34 8.041 37.544 -3.486 237 HZ2 LYS 34 2HZ LYS 34 7.109 37.507 -2.075 238 HZ3 LYS 34 3HZ LYS 34 6.366 37.771 -3.571 239 H GLY 35 H GLY 35 5.498 31.119 -6.002 240 HA2 GLY 35 2HA GLY 35 3.295 32.076 -7.383 241 HA3 GLY 35 3HA GLY 35 4.285 30.723 -7.910 242 H LEU 36 H LEU 36 3.693 28.975 -5.741 243 HA LEU 36 HA LEU 36 1.139 27.996 -6.659 244 HB2 LEU 36 2HB LEU 36 3.083 26.931 -4.617 245 HB3 LEU 36 3HB LEU 36 1.613 26.101 -5.124 246 HG LEU 36 HG LEU 36 3.676 26.844 -7.158 247 HD11 LEU 36 1HD1 LEU 36 4.156 25.135 -4.920 248 HD12 LEU 36 2HD1 LEU 36 5.219 25.525 -6.272 249 HD13 LEU 36 3HD1 LEU 36 4.099 24.167 -6.394 250 HD21 LEU 36 1HD2 LEU 36 1.540 24.748 -6.877 251 HD22 LEU 36 2HD2 LEU 36 2.799 24.656 -8.108 252 HD23 LEU 36 3HD2 LEU 36 1.679 26.019 -8.091 253 H GLY 37 H GLY 37 2.376 29.731 -3.926 254 HA2 GLY 37 2HA GLY 37 1.288 30.740 -2.170 255 HA3 GLY 37 3HA GLY 37 -0.222 30.381 -2.993 256 H PHE 38 H PHE 38 1.912 27.763 -2.288 257 HA PHE 38 HA PHE 38 0.332 27.055 0.086 258 HB2 PHE 38 2HB PHE 38 0.332 25.711 -2.469 259 HB3 PHE 38 3HB PHE 38 0.938 24.636 -1.213 260 HD1 PHE 38 HD1 PHE 38 -0.477 24.304 0.863 261 HD2 PHE 38 HD2 PHE 38 -1.951 26.128 -2.690 262 HE1 PHE 38 HE1 PHE 38 -2.784 23.854 1.592 263 HE2 PHE 38 HE2 PHE 38 -4.259 25.681 -1.966 264 HZ PHE 38 HZ PHE 38 -4.678 24.543 0.178 265 H GLY 39 H GLY 39 1.416 25.938 1.682 266 HA2 GLY 39 2HA GLY 39 3.206 25.143 2.883 267 HA3 GLY 39 3HA GLY 39 3.939 24.703 1.347 268 H ASP 40 H ASP 40 3.037 27.882 2.652 269 HA ASP 40 HA ASP 40 5.626 28.930 1.896 270 HB2 ASP 40 2HB ASP 40 3.677 30.309 1.481 271 HB3 ASP 40 3HB ASP 40 3.222 30.239 3.182 272 H LEU 41 H LEU 41 7.287 28.492 3.198 273 HA LEU 41 HA LEU 41 6.867 28.564 6.105 274 HB2 LEU 41 2HB LEU 41 8.818 27.162 4.335 275 HB3 LEU 41 3HB LEU 41 9.261 27.514 6.004 276 HG LEU 41 HG LEU 41 8.426 25.227 5.728 277 HD11 LEU 41 1HD1 LEU 41 6.790 25.267 7.536 278 HD12 LEU 41 2HD1 LEU 41 6.574 27.002 7.313 279 HD13 LEU 41 3HD1 LEU 41 8.126 26.371 7.863 280 HD21 LEU 41 1HD2 LEU 41 5.730 26.400 5.113 281 HD22 LEU 41 2HD2 LEU 41 6.246 24.716 5.021 282 HD23 LEU 41 3HD2 LEU 41 6.844 25.888 3.845 283 HA PRO 42 HA PRO 42 9.292 32.181 6.641 284 HB2 PRO 42 2HB PRO 42 10.660 31.622 8.918 285 HB3 PRO 42 3HB PRO 42 8.928 31.971 8.900 286 HG2 PRO 42 2HG PRO 42 10.327 29.327 9.012 287 HG3 PRO 42 3HG PRO 42 8.910 29.882 9.923 288 HD2 PRO 42 2HD PRO 42 8.708 28.279 7.750 289 HD3 PRO 42 3HD PRO 42 7.469 29.478 8.171 290 H ARG 43 H ARG 43 11.521 33.020 6.852 291 HA ARG 43 HA ARG 43 13.270 31.784 5.032 292 HB2 ARG 43 2HB ARG 43 14.909 33.497 5.768 293 HB3 ARG 43 3HB ARG 43 13.335 34.174 5.372 294 HG2 ARG 43 2HG ARG 43 13.609 35.270 7.309 295 HG3 ARG 43 3HG ARG 43 13.026 33.762 8.017 296 HD2 ARG 43 2HD ARG 43 15.564 33.109 7.936 297 HD3 ARG 43 3HD ARG 43 15.798 34.855 7.881 298 HE ARG 43 HE ARG 43 15.030 33.301 10.144 299 HH11 ARG 43 1HH1 ARG 43 14.668 36.417 8.633 300 HH12 ARG 43 2HH1 ARG 43 14.348 37.246 10.120 301 HH21 ARG 43 1HH2 ARG 43 14.609 34.382 12.109 302 HH22 ARG 43 2HH2 ARG 43 14.315 36.088 12.097 303 H ASP 44 H ASP 44 13.191 31.832 8.560 304 HA ASP 44 HA ASP 44 15.665 30.640 9.065 305 HB2 ASP 44 2HB ASP 44 14.514 29.823 11.203 306 HB3 ASP 44 3HB ASP 44 14.539 31.562 10.921 307 H GLU 45 H GLU 45 12.522 29.196 8.351 308 HA GLU 45 HA GLU 45 13.254 26.516 8.832 309 HB2 GLU 45 2HB GLU 45 10.912 27.348 8.623 310 HB3 GLU 45 3HB GLU 45 11.171 27.536 6.894 311 HG2 GLU 45 2HG GLU 45 11.653 24.889 8.177 312 HG3 GLU 45 3HG GLU 45 10.006 25.408 7.826 313 H VAL 46 H VAL 46 13.521 28.586 6.005 314 HA VAL 46 HA VAL 46 14.214 26.554 4.155 315 HB VAL 46 HB VAL 46 14.953 29.480 4.037 316 HG11 VAL 46 1HG1 VAL 46 15.183 27.210 2.166 317 HG12 VAL 46 2HG1 VAL 46 14.587 28.724 1.484 318 HG13 VAL 46 3HG1 VAL 46 16.152 28.678 2.297 319 HG21 VAL 46 1HG2 VAL 46 12.392 28.201 3.913 320 HG22 VAL 46 2HG2 VAL 46 12.786 29.917 3.807 321 HG23 VAL 46 3HG2 VAL 46 12.775 28.923 2.350 322 H GLU 47 H GLU 47 16.226 28.956 5.861 323 HA GLU 47 HA GLU 47 18.700 28.022 4.965 324 HB2 GLU 47 2HB GLU 47 19.635 29.181 6.960 325 HB3 GLU 47 3HB GLU 47 18.524 30.174 6.027 326 HG2 GLU 47 2HG GLU 47 16.751 29.711 7.642 327 HG3 GLU 47 3HG GLU 47 17.867 28.719 8.579 328 H ARG 48 H ARG 48 16.735 27.049 7.727 329 HA ARG 48 HA ARG 48 18.655 25.362 8.933 330 HB2 ARG 48 2HB ARG 48 16.571 26.250 10.023 331 HB3 ARG 48 3HB ARG 48 15.652 25.084 9.081 332 HG2 ARG 48 2HG ARG 48 16.931 23.263 10.145 333 HG3 ARG 48 3HG ARG 48 17.758 24.463 11.140 334 HD2 ARG 48 2HD ARG 48 14.900 24.821 11.259 335 HD3 ARG 48 3HD ARG 48 15.344 23.170 11.694 336 HE ARG 48 HE ARG 48 15.850 25.554 13.207 337 HH11 ARG 48 1HH1 ARG 48 16.926 22.306 12.564 338 HH12 ARG 48 2HH1 ARG 48 17.707 22.121 14.099 339 HH21 ARG 48 1HH2 ARG 48 16.875 25.323 15.232 340 HH22 ARG 48 2HH2 ARG 48 17.676 23.837 15.617 341 H THR 49 H THR 49 16.016 24.721 6.649 342 HA THR 49 HA THR 49 16.296 21.941 6.513 343 HB THR 49 HB THR 49 15.383 23.819 4.324 344 HG1 THR 49 HG1 THR 49 13.701 24.044 5.576 345 HG21 THR 49 1HG2 THR 49 15.546 21.885 3.138 346 HG22 THR 49 2HG2 THR 49 13.993 21.564 3.910 347 HG23 THR 49 3HG2 THR 49 15.470 20.869 4.577 348 H VAL 50 H VAL 50 17.821 24.506 4.596 349 HA VAL 50 HA VAL 50 19.220 22.785 2.841 350 HB VAL 50 HB VAL 50 19.894 25.615 3.658 351 HG11 VAL 50 1HG1 VAL 50 20.808 24.006 1.276 352 HG12 VAL 50 2HG1 VAL 50 21.176 25.705 1.580 353 HG13 VAL 50 3HG1 VAL 50 21.801 24.459 2.661 354 HG21 VAL 50 1HG2 VAL 50 18.496 24.741 1.147 355 HG22 VAL 50 2HG2 VAL 50 17.612 25.146 2.619 356 HG23 VAL 50 3HG2 VAL 50 18.618 26.362 1.832 357 H ARG 51 H ARG 51 20.080 24.293 5.920 358 HA ARG 51 HA ARG 51 22.791 23.574 5.959 359 HB2 ARG 51 2HB ARG 51 21.861 25.218 7.502 360 HB3 ARG 51 3HB ARG 51 20.873 23.976 8.260 361 HG2 ARG 51 2HG ARG 51 23.645 23.210 8.277 362 HG3 ARG 51 3HG ARG 51 23.428 24.803 9.005 363 HD2 ARG 51 2HD ARG 51 21.446 22.788 9.807 364 HD3 ARG 51 3HD ARG 51 23.099 22.445 10.313 365 HE ARG 51 HE ARG 51 22.307 25.133 10.884 366 HH11 ARG 51 1HH1 ARG 51 22.152 21.842 12.007 367 HH12 ARG 51 2HH1 ARG 51 21.941 22.282 13.670 368 HH21 ARG 51 1HH2 ARG 51 22.029 25.725 13.069 369 HH22 ARG 51 2HH2 ARG 51 21.870 24.491 14.272 370 H SER 52 H SER 52 19.917 21.885 7.165 371 HA SER 52 HA SER 52 21.321 19.696 8.288 372 HB2 SER 52 2HB SER 52 18.608 20.534 8.054 373 HB3 SER 52 3HB SER 52 18.712 18.874 7.468 374 HG SER 52 HG SER 52 18.550 19.555 9.926 375 H MET 53 H MET 53 19.691 20.156 5.168 376 HA MET 53 HA MET 53 20.156 17.571 4.164 377 HB2 MET 53 2HB MET 53 19.698 20.213 2.782 378 HB3 MET 53 3HB MET 53 19.841 18.694 1.909 379 HG2 MET 53 2HG MET 53 17.909 17.812 3.078 380 HG3 MET 53 3HG MET 53 17.783 19.296 4.019 381 HE1 MET 53 1HE MET 53 15.513 18.307 3.067 382 HE2 MET 53 2HE MET 53 14.680 19.523 2.098 383 HE3 MET 53 3HE MET 53 15.289 18.052 1.336 384 H ASN 54 H ASN 54 21.773 20.554 3.061 385 HA ASN 54 HA ASN 54 24.054 18.991 2.180 386 HB2 ASN 54 2HB ASN 54 22.884 21.123 1.067 387 HB3 ASN 54 3HB ASN 54 24.081 21.964 2.047 388 HD21 ASN 54 1HD2 ASN 54 25.118 22.685 0.168 389 HD22 ASN 54 2HD2 ASN 54 26.117 21.634 -0.771 390 H THR 55 H THR 55 25.279 18.345 3.871 391 HA THR 55 HA THR 55 25.722 19.640 6.269 392 HB THR 55 HB THR 55 26.405 17.327 5.910 393 HG1 THR 55 HG1 THR 55 28.759 18.809 6.476 394 HG21 THR 55 1HG2 THR 55 28.439 16.791 4.651 395 HG22 THR 55 2HG2 THR 55 28.592 18.483 4.177 396 HG23 THR 55 3HG2 THR 55 27.221 17.529 3.612 397 H ASN 56 H ASN 56 27.198 20.199 3.156 398 HA ASN 56 HA ASN 56 28.893 22.283 4.366 399 HB2 ASN 56 2HB ASN 56 29.310 20.725 1.806 400 HB3 ASN 56 3HB ASN 56 30.333 22.051 2.350 401 HD21 ASN 56 1HD2 ASN 56 30.843 19.155 1.879 402 HD22 ASN 56 2HD2 ASN 56 31.562 18.588 3.345 403 H ALA 57 H ALA 57 27.725 24.112 4.212 404 HA ALA 57 HA ALA 57 25.900 24.722 2.156 405 HB1 ALA 57 1HB ALA 57 26.823 27.149 3.231 406 HB2 ALA 57 2HB ALA 57 25.367 26.255 3.668 407 HB3 ALA 57 3HB ALA 57 26.872 25.971 4.542 408 H ASN 58 H ASN 58 26.642 24.660 0.097 409 HA ASN 58 HA ASN 58 28.853 26.489 -0.575 410 HB2 ASN 58 2HB ASN 58 29.033 23.815 -0.851 411 HB3 ASN 58 3HB ASN 58 28.297 24.216 -2.400 412 HD21 ASN 58 1HD2 ASN 58 30.600 23.156 -2.723 413 HD22 ASN 58 2HD2 ASN 58 31.853 24.304 -3.035 414 H GLY 59 H GLY 59 25.719 26.460 -0.606 415 HA2 GLY 59 2HA GLY 59 24.203 27.716 -1.816 416 HA3 GLY 59 3HA GLY 59 25.501 28.141 -2.921 417 H LEU 60 H LEU 60 24.975 24.795 -2.307 418 HA LEU 60 HA LEU 60 23.335 24.505 -4.715 419 HB2 LEU 60 2HB LEU 60 26.132 23.808 -4.459 420 HB3 LEU 60 3HB LEU 60 25.148 22.399 -4.851 421 HG LEU 60 HG LEU 60 24.402 24.567 -6.561 422 HD11 LEU 60 1HD1 LEU 60 27.351 24.018 -6.347 423 HD12 LEU 60 2HD1 LEU 60 26.521 25.572 -6.275 424 HD13 LEU 60 3HD1 LEU 60 26.598 24.684 -7.796 425 HD21 LEU 60 1HD2 LEU 60 24.069 22.200 -7.033 426 HD22 LEU 60 2HD2 LEU 60 25.815 21.953 -7.086 427 HD23 LEU 60 3HD2 LEU 60 25.029 22.965 -8.299 428 H ILE 61 H ILE 61 21.865 22.896 -4.600 429 HA ILE 61 HA ILE 61 22.001 21.120 -2.250 430 HB ILE 61 HB ILE 61 19.514 22.131 -3.636 431 HG12 ILE 61 2HG1 ILE 61 20.544 22.825 -0.881 432 HG13 ILE 61 3HG1 ILE 61 20.800 23.837 -2.297 433 HG21 ILE 61 1HG2 ILE 61 19.954 19.889 -1.956 434 HG22 ILE 61 2HG2 ILE 61 19.022 21.078 -1.047 435 HG23 ILE 61 3HG2 ILE 61 18.429 20.496 -2.603 436 HD11 ILE 61 1HD1 ILE 61 18.123 23.073 -1.156 437 HD12 ILE 61 2HD1 ILE 61 18.937 24.623 -0.940 438 HD13 ILE 61 3HD1 ILE 61 18.403 24.123 -2.545 439 H GLU 62 H GLU 62 21.937 18.986 -2.589 440 HA GLU 62 HA GLU 62 21.833 18.023 -5.321 441 HB2 GLU 62 2HB GLU 62 22.766 16.976 -2.718 442 HB3 GLU 62 3HB GLU 62 22.141 15.778 -3.843 443 HG2 GLU 62 2HG GLU 62 24.079 17.745 -4.903 444 HG3 GLU 62 3HG GLU 62 24.690 16.517 -3.797 445 H TYR 63 H TYR 63 20.294 16.707 -6.193 446 HA TYR 63 HA TYR 63 17.671 16.858 -5.180 447 HB2 TYR 63 2HB TYR 63 17.067 15.362 -7.014 448 HB3 TYR 63 3HB TYR 63 18.181 16.603 -7.576 449 HD1 TYR 63 HD1 TYR 63 17.723 13.038 -6.941 450 HD2 TYR 63 HD2 TYR 63 20.482 16.031 -8.179 451 HE1 TYR 63 HE1 TYR 63 19.209 11.291 -7.829 452 HE2 TYR 63 HE2 TYR 63 21.976 14.293 -9.071 453 HH TYR 63 HH TYR 63 22.118 11.423 -8.311 454 H GLY 64 H GLY 64 20.136 14.344 -5.019 455 HA2 GLY 64 2HA GLY 64 18.502 12.282 -4.001 456 HA3 GLY 64 3HA GLY 64 20.247 12.387 -3.825 457 H GLU 65 H GLU 65 20.657 14.550 -2.292 458 HA GLU 65 HA GLU 65 19.978 13.630 0.292 459 HB2 GLU 65 2HB GLU 65 21.114 16.280 -0.612 460 HB3 GLU 65 3HB GLU 65 21.002 15.769 1.066 461 HG2 GLU 65 2HG GLU 65 22.693 14.602 -1.120 462 HG3 GLU 65 3HG GLU 65 23.216 15.350 0.388 463 H PHE 66 H PHE 66 18.545 15.974 -1.857 464 HA PHE 66 HA PHE 66 16.947 17.327 0.041 465 HB2 PHE 66 2HB PHE 66 17.381 18.270 -2.168 466 HB3 PHE 66 3HB PHE 66 16.525 16.933 -2.928 467 HD1 PHE 66 HD1 PHE 66 14.091 16.761 -2.764 468 HD2 PHE 66 HD2 PHE 66 16.206 20.087 -1.157 469 HE1 PHE 66 HE1 PHE 66 11.987 18.029 -2.628 470 HE2 PHE 66 HE2 PHE 66 14.105 21.360 -1.018 471 HZ PHE 66 HZ PHE 66 11.992 20.332 -1.754 472 H GLU 67 H GLU 67 16.055 14.808 -2.324 473 HA GLU 67 HA GLU 67 13.454 14.410 -1.340 474 HB2 GLU 67 2HB GLU 67 13.448 12.361 -2.652 475 HB3 GLU 67 3HB GLU 67 14.191 13.665 -3.567 476 HG2 GLU 67 2HG GLU 67 16.415 12.784 -2.913 477 HG3 GLU 67 3HG GLU 67 15.603 11.419 -2.149 478 H ARG 68 H ARG 68 16.538 12.937 -0.501 479 HA ARG 68 HA ARG 68 15.563 10.833 1.082 480 HB2 ARG 68 2HB ARG 68 17.891 10.970 0.308 481 HB3 ARG 68 3HB ARG 68 18.158 12.362 1.349 482 HG2 ARG 68 2HG ARG 68 17.116 10.171 2.881 483 HG3 ARG 68 3HG ARG 68 18.538 9.663 1.968 484 HD2 ARG 68 2HD ARG 68 19.543 11.907 2.854 485 HD3 ARG 68 3HD ARG 68 18.282 11.762 4.077 486 HE ARG 68 HE ARG 68 20.691 10.249 3.918 487 HH11 ARG 68 1HH1 ARG 68 17.354 10.100 4.900 488 HH12 ARG 68 2HH1 ARG 68 17.623 8.865 6.085 489 HH21 ARG 68 1HH2 ARG 68 21.057 8.623 5.475 490 HH22 ARG 68 2HH2 ARG 68 19.729 8.026 6.412 491 H MET 69 H MET 69 16.612 14.110 1.991 492 HA MET 69 HA MET 69 16.100 13.851 4.744 493 HB2 MET 69 2HB MET 69 17.489 15.643 3.826 494 HB3 MET 69 3HB MET 69 16.089 16.332 3.016 495 HG2 MET 69 2HG MET 69 16.506 17.618 4.964 496 HG3 MET 69 3HG MET 69 15.047 16.672 5.248 497 HE1 MET 69 1HE MET 69 18.979 15.003 6.103 498 HE2 MET 69 2HE MET 69 18.721 16.533 5.266 499 HE3 MET 69 3HE MET 69 19.132 16.525 6.982 500 H VAL 70 H VAL 70 14.127 15.321 2.166 501 HA VAL 70 HA VAL 70 11.934 16.073 3.671 502 HB VAL 70 HB VAL 70 11.913 14.993 0.849 503 HG11 VAL 70 1HG1 VAL 70 9.890 16.665 2.335 504 HG12 VAL 70 2HG1 VAL 70 9.839 16.306 0.607 505 HG13 VAL 70 3HG1 VAL 70 9.682 15.002 1.786 506 HG21 VAL 70 1HG2 VAL 70 11.657 17.850 1.119 507 HG22 VAL 70 2HG2 VAL 70 13.145 17.280 1.875 508 HG23 VAL 70 3HG2 VAL 70 12.819 16.913 0.181 509 H LYS 71 H LYS 71 12.642 12.926 2.211 510 HA LYS 71 HA LYS 71 10.199 11.688 2.884 511 HB2 LYS 71 2HB LYS 71 11.743 10.777 1.204 512 HB3 LYS 71 3HB LYS 71 12.924 10.444 2.464 513 HG2 LYS 71 2HG LYS 71 10.305 9.261 2.974 514 HG3 LYS 71 3HG LYS 71 11.083 8.673 1.503 515 HD2 LYS 71 2HD LYS 71 12.480 8.797 4.168 516 HD3 LYS 71 3HD LYS 71 11.591 7.378 3.611 517 HE2 LYS 71 2HE LYS 71 13.058 7.516 1.517 518 HE3 LYS 71 3HE LYS 71 14.069 8.618 2.451 519 HZ1 LYS 71 1HZ LYS 71 13.563 6.387 4.041 520 HZ2 LYS 71 2HZ LYS 71 15.036 6.867 3.363 521 HZ3 LYS 71 3HZ LYS 71 14.021 5.811 2.517 522 H SER 72 H SER 72 13.159 12.220 4.662 523 HA SER 72 HA SER 72 12.629 10.371 6.758 524 HB2 SER 72 2HB SER 72 14.593 12.521 6.232 525 HB3 SER 72 3HB SER 72 14.281 12.171 7.932 526 HG SER 72 HG SER 72 15.703 10.649 7.564 527 H ARG 73 H ARG 73 12.279 13.907 6.522 528 HA ARG 73 HA ARG 73 11.128 14.246 9.075 529 HB2 ARG 73 2HB ARG 73 10.358 16.454 8.152 530 HB3 ARG 73 3HB ARG 73 12.083 16.147 7.994 531 HG2 ARG 73 2HG ARG 73 11.825 15.602 5.666 532 HG3 ARG 73 3HG ARG 73 10.070 15.733 5.795 533 HD2 ARG 73 2HD ARG 73 11.118 17.729 4.781 534 HD3 ARG 73 3HD ARG 73 10.234 18.091 6.263 535 HE ARG 73 HE ARG 73 13.013 17.601 6.729 536 HH11 ARG 73 1HH1 ARG 73 10.694 19.999 5.732 537 HH12 ARG 73 2HH1 ARG 73 11.677 21.340 6.220 538 HH21 ARG 73 1HH2 ARG 73 14.316 19.359 7.375 539 HH22 ARG 73 2HH2 ARG 73 13.737 20.975 7.153 540 H MET 74 H MET 74 9.746 13.632 5.894 541 HA MET 74 HA MET 74 7.046 14.073 6.585 542 HB2 MET 74 2HB MET 74 8.381 12.490 4.402 543 HB3 MET 74 3HB MET 74 6.631 12.529 4.569 544 HG2 MET 74 2HG MET 74 8.175 15.079 4.439 545 HG3 MET 74 3HG MET 74 7.821 14.180 2.965 546 HE1 MET 74 1HE MET 74 5.206 17.142 4.972 547 HE2 MET 74 2HE MET 74 6.137 16.117 6.065 548 HE3 MET 74 3HE MET 74 6.957 17.023 4.792 549 H ALA 75 H ALA 75 9.176 11.328 6.944 550 HA ALA 75 HA ALA 75 7.382 9.257 7.307 551 HB1 ALA 75 1HB ALA 75 9.992 9.313 7.346 552 HB2 ALA 75 2HB ALA 75 9.766 9.449 9.090 553 HB3 ALA 75 3HB ALA 75 9.118 8.057 8.223 554 H GLN 76 H GLN 76 8.189 11.887 9.455 555 HA GLN 76 HA GLN 76 7.115 10.789 11.831 556 HB2 GLN 76 2HB GLN 76 8.662 12.732 11.757 557 HB3 GLN 76 3HB GLN 76 7.369 13.702 11.065 558 HG2 GLN 76 2HG GLN 76 6.990 14.294 13.185 559 HG3 GLN 76 3HG GLN 76 6.152 12.746 13.282 560 HE21 GLN 76 1HE2 GLN 76 7.718 10.867 13.750 561 HE22 GLN 76 2HE2 GLN 76 8.841 11.142 15.034 562 H LYS 77 H LYS 77 5.738 12.833 9.291 563 HA LYS 77 HA LYS 77 3.158 12.933 10.590 564 HB2 LYS 77 2HB LYS 77 4.435 14.190 8.252 565 HB3 LYS 77 3HB LYS 77 2.718 13.860 8.061 566 HG2 LYS 77 2HG LYS 77 2.864 16.050 8.894 567 HG3 LYS 77 3HG LYS 77 2.377 15.051 10.265 568 HD2 LYS 77 2HD LYS 77 4.216 15.584 11.411 569 HD3 LYS 77 3HD LYS 77 5.260 15.230 10.033 570 HE2 LYS 77 2HE LYS 77 3.652 17.756 10.135 571 HE3 LYS 77 3HE LYS 77 5.196 17.637 10.977 572 HZ1 LYS 77 1HZ LYS 77 4.646 17.809 8.139 573 HZ2 LYS 77 2HZ LYS 77 5.842 16.691 8.565 574 HZ3 LYS 77 3HZ LYS 77 6.004 18.314 9.012 575 H ASP 78 H ASP 78 1.285 11.912 9.926 576 HA ASP 78 HA ASP 78 1.489 9.952 7.758 577 HB2 ASP 78 2HB ASP 78 0.606 9.338 10.583 578 HB3 ASP 78 3HB ASP 78 0.327 8.266 9.213 579 H SER 79 H SER 79 -0.827 8.840 7.587 580 HA SER 79 HA SER 79 -2.588 10.831 6.711 581 HB2 SER 79 2HB SER 79 -3.900 8.305 7.394 582 HB3 SER 79 3HB SER 79 -3.734 9.101 5.829 583 HG SER 79 HG SER 79 -2.175 7.777 5.390 584 HA PRO 80 HA PRO 80 -4.938 12.059 10.205 585 HB2 PRO 80 2HB PRO 80 -7.451 12.229 9.193 586 HB3 PRO 80 3HB PRO 80 -6.174 13.383 8.791 587 HG2 PRO 80 2HG PRO 80 -7.156 11.025 7.230 588 HG3 PRO 80 3HG PRO 80 -6.746 12.653 6.659 589 HD2 PRO 80 2HD PRO 80 -5.061 10.550 6.397 590 HD3 PRO 80 3HD PRO 80 -4.484 12.211 6.636 591 H GLU 81 H GLU 81 -6.430 9.395 8.382 592 HA GLU 81 HA GLU 81 -8.042 8.485 10.539 593 HB2 GLU 81 2HB GLU 81 -7.391 7.595 7.814 594 HB3 GLU 81 3HB GLU 81 -7.741 6.287 8.936 595 HG2 GLU 81 2HG GLU 81 -9.872 7.401 9.506 596 HG3 GLU 81 3HG GLU 81 -9.525 8.619 8.280 597 H GLU 82 H GLU 82 -4.842 7.617 9.336 598 HA GLU 82 HA GLU 82 -4.441 5.334 10.924 599 HB2 GLU 82 2HB GLU 82 -2.889 6.967 9.143 600 HB3 GLU 82 3HB GLU 82 -1.945 6.617 10.585 601 HG2 GLU 82 2HG GLU 82 -3.137 4.196 9.873 602 HG3 GLU 82 3HG GLU 82 -2.589 4.918 8.362 603 H VAL 83 H VAL 83 -3.483 8.719 11.466 604 HA VAL 83 HA VAL 83 -2.310 8.305 13.993 605 HB VAL 83 HB VAL 83 -3.581 10.821 12.904 606 HG11 VAL 83 1HG1 VAL 83 -3.300 10.928 15.315 607 HG12 VAL 83 2HG1 VAL 83 -1.615 10.427 15.159 608 HG13 VAL 83 3HG1 VAL 83 -2.136 11.985 14.515 609 HG21 VAL 83 1HG2 VAL 83 -1.282 9.411 12.065 610 HG22 VAL 83 2HG2 VAL 83 -1.835 11.002 11.542 611 HG23 VAL 83 3HG2 VAL 83 -0.727 10.858 12.907 612 H LEU 84 H LEU 84 -5.606 9.103 13.013 613 HA LEU 84 HA LEU 84 -6.650 9.655 15.558 614 HB2 LEU 84 2HB LEU 84 -7.708 9.024 12.897 615 HB3 LEU 84 3HB LEU 84 -8.767 8.566 14.229 616 HG LEU 84 HG LEU 84 -7.669 11.344 13.808 617 HD11 LEU 84 1HD1 LEU 84 -9.091 11.088 11.998 618 HD12 LEU 84 2HD1 LEU 84 -10.156 11.754 13.235 619 HD13 LEU 84 3HD1 LEU 84 -10.190 10.027 12.879 620 HD21 LEU 84 1HD2 LEU 84 -9.096 10.038 15.957 621 HD22 LEU 84 2HD2 LEU 84 -10.004 11.407 15.314 622 HD23 LEU 84 3HD2 LEU 84 -8.357 11.639 15.903 623 H LYS 85 H LYS 85 -6.678 6.626 13.685 624 HA LYS 85 HA LYS 85 -7.945 5.050 15.628 625 HB2 LYS 85 2HB LYS 85 -7.544 4.480 13.188 626 HB3 LYS 85 3HB LYS 85 -5.900 4.055 13.645 627 HG2 LYS 85 2HG LYS 85 -7.849 2.767 15.350 628 HG3 LYS 85 3HG LYS 85 -8.108 2.388 13.646 629 HD2 LYS 85 2HD LYS 85 -5.359 2.244 14.821 630 HD3 LYS 85 3HD LYS 85 -6.496 0.915 15.056 631 HE2 LYS 85 2HE LYS 85 -5.742 2.054 12.369 632 HE3 LYS 85 3HE LYS 85 -4.983 0.637 13.093 633 HZ1 LYS 85 1HZ LYS 85 -7.176 0.612 11.499 634 HZ2 LYS 85 2HZ LYS 85 -7.849 0.485 13.046 635 HZ3 LYS 85 3HZ LYS 85 -6.699 -0.643 12.529 636 H ALA 86 H ALA 86 -4.518 5.708 15.034 637 HA ALA 86 HA ALA 86 -3.425 3.920 16.879 638 HB1 ALA 86 1HB ALA 86 -1.818 6.249 16.858 639 HB2 ALA 86 2HB ALA 86 -1.572 4.740 15.979 640 HB3 ALA 86 3HB ALA 86 -2.492 6.051 15.240 641 H PHE 87 H PHE 87 -4.366 7.324 17.303 642 HA PHE 87 HA PHE 87 -3.605 7.549 19.995 643 HB2 PHE 87 2HB PHE 87 -4.099 9.497 18.589 644 HB3 PHE 87 3HB PHE 87 -5.792 9.020 18.509 645 HD1 PHE 87 HD1 PHE 87 -7.139 10.397 19.739 646 HD2 PHE 87 HD2 PHE 87 -3.293 9.392 21.259 647 HE1 PHE 87 HE1 PHE 87 -7.605 11.704 21.771 648 HE2 PHE 87 HE2 PHE 87 -3.753 10.697 23.294 649 HZ PHE 87 HZ PHE 87 -5.911 11.854 23.552 650 H GLN 88 H GLN 88 -6.726 6.706 18.529 651 HA GLN 88 HA GLN 88 -8.230 6.500 20.862 652 HB2 GLN 88 2HB GLN 88 -9.106 6.429 18.513 653 HB3 GLN 88 3HB GLN 88 -8.536 4.769 18.406 654 HG2 GLN 88 2HG GLN 88 -10.013 4.150 20.258 655 HG3 GLN 88 3HG GLN 88 -10.597 5.811 20.336 656 HE21 GLN 88 1HE2 GLN 88 -12.518 6.017 19.464 657 HE22 GLN 88 2HE2 GLN 88 -13.103 5.188 18.066 658 H LEU 89 H LEU 89 -6.297 4.035 19.195 659 HA LEU 89 HA LEU 89 -6.924 1.896 20.905 660 HB2 LEU 89 2HB LEU 89 -5.941 1.368 18.838 661 HB3 LEU 89 3HB LEU 89 -4.595 2.474 19.103 662 HG LEU 89 HG LEU 89 -3.773 0.939 20.887 663 HD11 LEU 89 1HD1 LEU 89 -5.695 -1.083 19.784 664 HD12 LEU 89 2HD1 LEU 89 -6.085 -0.101 21.195 665 HD13 LEU 89 3HD1 LEU 89 -4.693 -1.183 21.232 666 HD21 LEU 89 1HD2 LEU 89 -4.084 -0.123 18.086 667 HD22 LEU 89 2HD2 LEU 89 -3.012 -0.834 19.292 668 HD23 LEU 89 3HD2 LEU 89 -2.745 0.820 18.740 669 H PHE 90 H PHE 90 -4.226 4.204 20.953 670 HA PHE 90 HA PHE 90 -2.890 3.131 23.174 671 HB2 PHE 90 2HB PHE 90 -2.665 5.447 21.500 672 HB3 PHE 90 3HB PHE 90 -2.513 5.940 23.183 673 HD1 PHE 90 HD1 PHE 90 -0.350 6.129 23.891 674 HD2 PHE 90 HD2 PHE 90 -1.343 3.052 21.122 675 HE1 PHE 90 HE1 PHE 90 1.990 5.366 23.904 676 HE2 PHE 90 HE2 PHE 90 0.994 2.284 21.131 677 HZ PHE 90 HZ PHE 90 2.664 3.440 22.524 678 H ASP 91 H ASP 91 -5.627 5.285 22.915 679 HA ASP 91 HA ASP 91 -6.099 4.999 25.774 680 HB2 ASP 91 2HB ASP 91 -6.301 7.753 24.591 681 HB3 ASP 91 3HB ASP 91 -6.201 7.281 26.285 682 H LEU 92 H LEU 92 -8.095 4.235 25.905 683 HA LEU 92 HA LEU 92 -9.986 4.232 23.869 684 HB2 LEU 92 2HB LEU 92 -11.627 3.756 25.752 685 HB3 LEU 92 3HB LEU 92 -10.271 2.647 25.556 686 HG LEU 92 HG LEU 92 -9.638 4.747 27.440 687 HD11 LEU 92 1HD1 LEU 92 -11.197 4.281 29.159 688 HD12 LEU 92 2HD1 LEU 92 -11.929 2.968 28.237 689 HD13 LEU 92 3HD1 LEU 92 -12.140 4.637 27.711 690 HD21 LEU 92 1HD2 LEU 92 -9.493 2.519 28.859 691 HD22 LEU 92 2HD2 LEU 92 -8.286 2.921 27.637 692 HD23 LEU 92 3HD2 LEU 92 -9.580 1.782 27.259 693 H ASP 93 H ASP 93 -9.390 6.575 26.403 694 HA ASP 93 HA ASP 93 -11.740 8.127 25.619 695 HB2 ASP 93 2HB ASP 93 -9.757 8.855 27.770 696 HB3 ASP 93 3HB ASP 93 -11.424 9.397 27.596 697 H LYS 94 H LYS 94 -11.329 10.590 25.582 698 HA LYS 94 HA LYS 94 -8.887 11.133 24.025 699 HB2 LYS 94 2HB LYS 94 -10.324 12.840 22.792 700 HB3 LYS 94 3HB LYS 94 -10.615 11.145 22.421 701 HG2 LYS 94 2HG LYS 94 -12.257 12.364 24.561 702 HG3 LYS 94 3HG LYS 94 -12.578 12.866 22.900 703 HD2 LYS 94 2HD LYS 94 -13.416 10.848 22.315 704 HD3 LYS 94 3HD LYS 94 -12.273 9.963 23.329 705 HE2 LYS 94 2HE LYS 94 -13.770 11.184 25.218 706 HE3 LYS 94 3HE LYS 94 -14.971 10.980 23.943 707 HZ1 LYS 94 1HZ LYS 94 -13.581 8.587 24.131 708 HZ2 LYS 94 2HZ LYS 94 -15.183 8.886 24.583 709 HZ3 LYS 94 3HZ LYS 94 -13.939 9.048 25.719 710 H LYS 95 H LYS 95 -8.113 11.744 26.220 711 HA LYS 95 HA LYS 95 -9.212 14.074 27.476 712 HB2 LYS 95 2HB LYS 95 -7.175 13.953 28.902 713 HB3 LYS 95 3HB LYS 95 -8.082 12.447 28.847 714 HG2 LYS 95 2HG LYS 95 -6.271 12.168 26.791 715 HG3 LYS 95 3HG LYS 95 -5.351 13.010 28.040 716 HD2 LYS 95 2HD LYS 95 -6.683 11.099 29.481 717 HD3 LYS 95 3HD LYS 95 -6.344 10.259 27.965 718 HE2 LYS 95 2HE LYS 95 -3.952 11.190 28.259 719 HE3 LYS 95 3HE LYS 95 -4.429 11.457 29.935 720 HZ1 LYS 95 1HZ LYS 95 -3.617 9.365 30.111 721 HZ2 LYS 95 2HZ LYS 95 -3.970 8.951 28.510 722 HZ3 LYS 95 3HZ LYS 95 -5.200 8.960 29.672 723 H GLY 96 H GLY 96 -6.660 13.424 25.168 724 HA2 GLY 96 2HA GLY 96 -5.497 14.853 23.790 725 HA3 GLY 96 3HA GLY 96 -6.591 16.130 24.302 726 H LYS 97 H LYS 97 -5.006 14.517 26.850 727 HA LYS 97 HA LYS 97 -3.133 16.776 27.113 728 HB2 LYS 97 2HB LYS 97 -4.311 15.066 29.310 729 HB3 LYS 97 3HB LYS 97 -3.251 16.453 29.528 730 HG2 LYS 97 2HG LYS 97 -5.098 17.750 28.257 731 HG3 LYS 97 3HG LYS 97 -6.118 16.377 28.695 732 HD2 LYS 97 2HD LYS 97 -4.463 17.664 30.813 733 HD3 LYS 97 3HD LYS 97 -5.922 18.490 30.260 734 HE2 LYS 97 2HE LYS 97 -6.485 15.713 30.685 735 HE3 LYS 97 3HE LYS 97 -5.715 16.386 32.122 736 HZ1 LYS 97 1HZ LYS 97 -8.292 17.056 30.906 737 HZ2 LYS 97 2HZ LYS 97 -7.440 18.294 31.681 738 HZ3 LYS 97 3HZ LYS 97 -7.876 16.903 32.539 739 H ILE 98 H ILE 98 -1.265 16.018 26.268 740 HA ILE 98 HA ILE 98 -0.076 13.685 27.594 741 HB ILE 98 HB ILE 98 0.150 14.171 24.624 742 HG12 ILE 98 2HG1 ILE 98 -1.128 11.783 24.865 743 HG13 ILE 98 3HG1 ILE 98 -1.814 12.658 26.230 744 HG21 ILE 98 1HG2 ILE 98 2.082 13.072 25.643 745 HG22 ILE 98 2HG2 ILE 98 1.020 11.847 26.336 746 HG23 ILE 98 3HG2 ILE 98 1.199 11.970 24.586 747 HD11 ILE 98 1HD1 ILE 98 -3.167 12.853 24.196 748 HD12 ILE 98 2HD1 ILE 98 -2.573 14.416 24.760 749 HD13 ILE 98 3HD1 ILE 98 -1.807 13.627 23.382 750 H SER 99 H SER 99 1.938 14.033 28.286 751 HA SER 99 HA SER 99 3.139 16.585 28.042 752 HB2 SER 99 2HB SER 99 3.877 13.987 29.297 753 HB3 SER 99 3HB SER 99 5.175 15.145 29.005 754 HG SER 99 HG SER 99 4.130 16.624 30.287 755 H PHE 100 H PHE 100 4.644 17.357 26.682 756 HA PHE 100 HA PHE 100 5.107 16.218 24.199 757 HB2 PHE 100 2HB PHE 100 6.887 17.889 23.929 758 HB3 PHE 100 3HB PHE 100 5.455 18.599 24.666 759 HD1 PHE 100 HD1 PHE 100 8.950 17.728 25.117 760 HD2 PHE 100 HD2 PHE 100 5.453 19.212 27.037 761 HE1 PHE 100 HE1 PHE 100 10.328 18.558 26.979 762 HE2 PHE 100 HE2 PHE 100 6.826 20.046 28.901 763 HZ PHE 100 HZ PHE 100 9.267 19.720 28.873 764 H ALA 101 H ALA 101 6.969 15.950 27.172 765 HA ALA 101 HA ALA 101 9.286 14.770 26.167 766 HB1 ALA 101 1HB ALA 101 9.308 13.656 28.522 767 HB2 ALA 101 2HB ALA 101 9.464 15.407 28.375 768 HB3 ALA 101 3HB ALA 101 7.913 14.694 28.817 769 H ASN 102 H ASN 102 6.379 13.173 27.479 770 HA ASN 102 HA ASN 102 7.144 10.543 27.071 771 HB2 ASN 102 2HB ASN 102 4.393 11.791 26.935 772 HB3 ASN 102 3HB ASN 102 4.681 10.054 26.961 773 HD21 ASN 102 1HD2 ASN 102 4.964 9.067 28.858 774 HD22 ASN 102 2HD2 ASN 102 5.077 9.869 30.384 775 H LEU 103 H LEU 103 5.365 12.683 24.855 776 HA LEU 103 HA LEU 103 5.005 10.889 22.763 777 HB2 LEU 103 2HB LEU 103 3.904 13.042 22.831 778 HB3 LEU 103 3HB LEU 103 5.452 13.869 22.674 779 HG LEU 103 HG LEU 103 5.660 12.776 20.402 780 HD11 LEU 103 1HD1 LEU 103 3.607 11.999 19.351 781 HD12 LEU 103 2HD1 LEU 103 2.734 12.217 20.868 782 HD13 LEU 103 3HD1 LEU 103 4.010 11.005 20.752 783 HD21 LEU 103 1HD2 LEU 103 5.089 14.829 19.788 784 HD22 LEU 103 2HD2 LEU 103 4.145 15.045 21.262 785 HD23 LEU 103 3HD2 LEU 103 3.394 14.343 19.828 786 H LYS 104 H LYS 104 7.691 13.148 23.329 787 HA LYS 104 HA LYS 104 9.177 12.587 21.044 788 HB2 LYS 104 2HB LYS 104 9.548 14.394 22.839 789 HB3 LYS 104 3HB LYS 104 10.443 13.158 23.715 790 HG2 LYS 104 2HG LYS 104 11.470 13.089 21.127 791 HG3 LYS 104 3HG LYS 104 11.268 14.803 21.501 792 HD2 LYS 104 2HD LYS 104 12.602 12.884 23.396 793 HD3 LYS 104 3HD LYS 104 13.493 13.742 22.135 794 HE2 LYS 104 2HE LYS 104 11.794 15.538 23.631 795 HE3 LYS 104 3HE LYS 104 12.890 14.661 24.698 796 HZ1 LYS 104 1HZ LYS 104 14.390 15.457 22.513 797 HZ2 LYS 104 2HZ LYS 104 14.467 16.069 24.088 798 HZ3 LYS 104 3HZ LYS 104 13.459 16.802 22.944 799 H GLU 105 H GLU 105 9.397 11.095 24.269 800 HA GLU 105 HA GLU 105 11.452 9.301 23.737 801 HB2 GLU 105 2HB GLU 105 10.664 9.671 25.993 802 HB3 GLU 105 3HB GLU 105 9.081 9.023 25.589 803 HG2 GLU 105 2HG GLU 105 10.079 6.825 25.206 804 HG3 GLU 105 3HG GLU 105 11.663 7.477 25.624 805 H VAL 106 H VAL 106 7.950 8.887 23.334 806 HA VAL 106 HA VAL 106 7.977 6.215 22.501 807 HB VAL 106 HB VAL 106 6.043 8.396 21.704 808 HG11 VAL 106 1HG1 VAL 106 5.346 6.812 20.264 809 HG12 VAL 106 2HG1 VAL 106 6.170 5.514 21.129 810 HG13 VAL 106 3HG1 VAL 106 4.609 6.103 21.700 811 HG21 VAL 106 1HG2 VAL 106 5.210 8.288 23.760 812 HG22 VAL 106 2HG2 VAL 106 5.041 6.537 23.640 813 HG23 VAL 106 3HG2 VAL 106 6.552 7.238 24.217 814 H ALA 107 H ALA 107 8.277 9.219 20.655 815 HA ALA 107 HA ALA 107 8.222 8.074 18.086 816 HB1 ALA 107 1HB ALA 107 8.770 10.663 19.241 817 HB2 ALA 107 2HB ALA 107 9.858 10.315 17.897 818 HB3 ALA 107 3HB ALA 107 8.112 10.253 17.657 819 H LYS 108 H LYS 108 10.958 8.933 20.190 820 HA LYS 108 HA LYS 108 12.984 8.083 18.429 821 HB2 LYS 108 2HB LYS 108 13.019 8.246 21.449 822 HB3 LYS 108 3HB LYS 108 14.439 8.086 20.425 823 HG2 LYS 108 2HG LYS 108 12.529 10.390 20.186 824 HG3 LYS 108 3HG LYS 108 13.913 10.403 21.281 825 HD2 LYS 108 2HD LYS 108 15.232 9.705 19.124 826 HD3 LYS 108 3HD LYS 108 13.847 10.422 18.296 827 HE2 LYS 108 2HE LYS 108 14.581 12.480 18.715 828 HE3 LYS 108 3HE LYS 108 14.749 12.128 20.434 829 HZ1 LYS 108 1HZ LYS 108 16.939 11.666 20.222 830 HZ2 LYS 108 2HZ LYS 108 16.806 12.718 18.904 831 HZ3 LYS 108 3HZ LYS 108 16.790 11.045 18.655 832 H LEU 109 H LEU 109 11.075 6.387 20.838 833 HA LEU 109 HA LEU 109 12.590 4.028 20.991 834 HB2 LEU 109 2HB LEU 109 10.815 4.603 22.571 835 HB3 LEU 109 3HB LEU 109 9.613 4.403 21.298 836 HG LEU 109 HG LEU 109 11.086 1.985 21.481 837 HD11 LEU 109 1HD1 LEU 109 11.784 2.566 23.695 838 HD12 LEU 109 2HD1 LEU 109 10.502 1.361 23.818 839 HD13 LEU 109 3HD1 LEU 109 10.149 3.059 24.135 840 HD21 LEU 109 1HD2 LEU 109 8.935 1.751 20.747 841 HD22 LEU 109 2HD2 LEU 109 8.294 2.925 21.897 842 HD23 LEU 109 3HD2 LEU 109 8.726 1.303 22.441 843 H LEU 110 H LEU 110 10.203 5.131 18.679 844 HA LEU 110 HA LEU 110 9.792 2.631 17.396 845 HB2 LEU 110 2HB LEU 110 9.347 5.477 16.535 846 HB3 LEU 110 3HB LEU 110 8.968 4.103 15.497 847 HG LEU 110 HG LEU 110 7.757 4.493 18.228 848 HD11 LEU 110 1HD1 LEU 110 7.081 6.386 16.949 849 HD12 LEU 110 2HD1 LEU 110 5.738 5.245 16.960 850 HD13 LEU 110 3HD1 LEU 110 6.761 5.388 15.531 851 HD21 LEU 110 1HD2 LEU 110 7.296 2.325 17.776 852 HD22 LEU 110 2HD2 LEU 110 7.491 2.529 16.035 853 HD23 LEU 110 3HD2 LEU 110 5.998 3.043 16.822 854 H GLY 111 H GLY 111 12.391 4.814 17.395 855 HA2 GLY 111 2HA GLY 111 14.476 4.452 16.402 856 HA3 GLY 111 3HA GLY 111 13.744 3.239 15.362 857 H GLU 112 H GLU 112 12.153 6.279 15.578 858 HA GLU 112 HA GLU 112 12.929 6.850 12.816 859 HB2 GLU 112 2HB GLU 112 10.484 6.768 13.757 860 HB3 GLU 112 3HB GLU 112 10.846 8.396 14.313 861 HG2 GLU 112 2HG GLU 112 9.770 8.620 12.231 862 HG3 GLU 112 3HG GLU 112 11.478 8.953 11.949 863 H ASN 113 H ASN 113 14.163 8.535 12.253 864 HA ASN 113 HA ASN 113 14.890 10.462 14.361 865 HB2 ASN 113 2HB ASN 113 16.656 8.804 13.376 866 HB3 ASN 113 3HB ASN 113 16.653 9.903 11.999 867 HD21 ASN 113 1HD2 ASN 113 18.925 9.494 13.452 868 HD22 ASN 113 2HD2 ASN 113 19.317 10.923 14.340 869 HA PRO 114 HA PRO 114 12.748 12.765 10.930 870 HB2 PRO 114 2HB PRO 114 11.152 14.217 12.577 871 HB3 PRO 114 3HB PRO 114 10.709 12.614 11.979 872 HG2 PRO 114 2HG PRO 114 11.867 13.395 14.627 873 HG3 PRO 114 3HG PRO 114 10.564 12.246 14.270 874 HD2 PRO 114 2HD PRO 114 13.099 11.455 14.798 875 HD3 PRO 114 3HD PRO 114 12.032 10.567 13.692 876 H GLY 115 H GLY 115 12.515 15.210 10.765 877 HA2 GLY 115 2HA GLY 115 15.026 16.398 11.471 878 HA3 GLY 115 3HA GLY 115 13.712 17.177 10.603 879 H ASP 116 H ASP 116 15.509 17.898 12.981 880 HA ASP 116 HA ASP 116 14.042 18.085 15.327 881 HB2 ASP 116 2HB ASP 116 16.522 18.854 14.606 882 HB3 ASP 116 3HB ASP 116 15.725 20.425 14.631 883 H ASP 117 H ASP 117 13.970 20.122 12.461 884 HA ASP 117 HA ASP 117 12.481 22.261 13.465 885 HB2 ASP 117 2HB ASP 117 11.996 22.823 11.190 886 HB3 ASP 117 3HB ASP 117 13.621 22.144 11.222 887 H VAL 118 H VAL 118 11.465 19.119 12.248 888 HA VAL 118 HA VAL 118 8.681 19.690 12.196 889 HB VAL 118 HB VAL 118 10.075 17.018 12.416 890 HG11 VAL 118 1HG1 VAL 118 7.260 17.794 12.343 891 HG12 VAL 118 2HG1 VAL 118 7.702 16.600 11.121 892 HG13 VAL 118 3HG1 VAL 118 8.005 16.272 12.828 893 HG21 VAL 118 1HG2 VAL 118 9.422 18.809 10.134 894 HG22 VAL 118 2HG2 VAL 118 10.823 17.768 10.389 895 HG23 VAL 118 3HG2 VAL 118 9.282 17.067 9.896 896 H LEU 119 H LEU 119 10.895 18.594 14.664 897 HA LEU 119 HA LEU 119 8.917 17.681 16.499 898 HB2 LEU 119 2HB LEU 119 11.653 17.540 16.331 899 HB3 LEU 119 3HB LEU 119 11.406 18.660 17.669 900 HG LEU 119 HG LEU 119 11.667 16.468 18.572 901 HD11 LEU 119 1HD1 LEU 119 9.681 18.073 19.265 902 HD12 LEU 119 2HD1 LEU 119 9.894 16.483 19.998 903 HD13 LEU 119 3HD1 LEU 119 8.712 16.708 18.709 904 HD21 LEU 119 1HD2 LEU 119 9.285 15.395 17.149 905 HD22 LEU 119 2HD2 LEU 119 10.691 14.550 17.798 906 HD23 LEU 119 3HD2 LEU 119 10.824 15.456 16.289 907 H GLN 120 H GLN 120 10.945 20.617 16.466 908 HA GLN 120 HA GLN 120 9.676 21.884 18.619 909 HB2 GLN 120 2HB GLN 120 10.955 23.317 16.295 910 HB3 GLN 120 3HB GLN 120 10.827 23.864 17.962 911 HG2 GLN 120 2HG GLN 120 12.623 21.770 16.804 912 HG3 GLN 120 3HG GLN 120 13.045 23.205 17.737 913 HE21 GLN 120 1HE2 GLN 120 11.838 23.171 19.973 914 HE22 GLN 120 2HE2 GLN 120 12.037 21.702 20.860 915 H GLU 121 H GLU 121 9.089 22.100 15.129 916 HA GLU 121 HA GLU 121 7.096 24.080 15.238 917 HB2 GLU 121 2HB GLU 121 7.726 21.923 13.234 918 HB3 GLU 121 3HB GLU 121 6.384 23.036 13.004 919 HG2 GLU 121 2HG GLU 121 9.142 24.061 13.531 920 HG3 GLU 121 3HG GLU 121 8.654 23.563 11.912 921 H MET 122 H MET 122 6.878 20.538 15.254 922 HA MET 122 HA MET 122 4.105 20.294 15.210 923 HB2 MET 122 2HB MET 122 5.561 18.376 14.913 924 HB3 MET 122 3HB MET 122 6.165 18.539 16.556 925 HG2 MET 122 2HG MET 122 4.539 17.256 17.318 926 HG3 MET 122 3HG MET 122 3.326 18.338 16.637 927 HE1 MET 122 1HE MET 122 5.178 14.604 14.868 928 HE2 MET 122 2HE MET 122 5.629 15.513 16.310 929 HE3 MET 122 3HE MET 122 4.226 14.444 16.344 930 H ILE 123 H ILE 123 6.260 20.322 18.053 931 HA ILE 123 HA ILE 123 4.257 20.247 19.998 932 HB ILE 123 HB ILE 123 6.980 21.541 20.183 933 HG12 ILE 123 2HG1 ILE 123 7.024 19.146 19.556 934 HG13 ILE 123 3HG1 ILE 123 7.706 19.430 21.153 935 HG21 ILE 123 1HG2 ILE 123 5.590 22.346 21.963 936 HG22 ILE 123 2HG2 ILE 123 5.026 20.715 22.321 937 HG23 ILE 123 3HG2 ILE 123 6.707 21.152 22.625 938 HD11 ILE 123 1HD1 ILE 123 4.964 18.356 20.540 939 HD12 ILE 123 2HD1 ILE 123 6.337 17.454 21.180 940 HD13 ILE 123 3HD1 ILE 123 5.577 18.711 22.155 941 H ALA 124 H ALA 124 5.713 22.969 18.294 942 HA ALA 124 HA ALA 124 4.633 25.051 19.824 943 HB1 ALA 124 1HB ALA 124 6.285 25.739 18.368 944 HB2 ALA 124 2HB ALA 124 5.612 24.837 17.010 945 HB3 ALA 124 3HB ALA 124 4.827 26.318 17.560 946 H GLU 125 H GLU 125 3.355 23.411 16.942 947 HA GLU 125 HA GLU 125 1.012 24.970 16.724 948 HB2 GLU 125 2HB GLU 125 1.915 22.338 15.643 949 HB3 GLU 125 3HB GLU 125 0.212 22.755 15.517 950 HG2 GLU 125 2HG GLU 125 1.799 24.977 14.675 951 HG3 GLU 125 3HG GLU 125 2.315 23.522 13.824 952 H ALA 126 H ALA 126 1.501 21.703 18.066 953 HA ALA 126 HA ALA 126 -1.110 21.336 19.005 954 HB1 ALA 126 1HB ALA 126 1.169 20.142 20.501 955 HB2 ALA 126 2HB ALA 126 -0.348 19.410 19.978 956 HB3 ALA 126 3HB ALA 126 0.941 19.698 18.809 957 H ASP 127 H ASP 127 1.546 23.154 20.293 958 HA ASP 127 HA ASP 127 0.656 23.303 22.984 959 HB2 ASP 127 2HB ASP 127 2.964 23.805 22.418 960 HB3 ASP 127 3HB ASP 127 2.453 25.143 21.393 961 H GLU 128 H GLU 128 -0.153 25.031 20.075 962 HA GLU 128 HA GLU 128 -1.273 27.346 21.185 963 HB2 GLU 128 2HB GLU 128 -0.819 27.131 18.797 964 HB3 GLU 128 3HB GLU 128 -2.035 25.869 18.660 965 HG2 GLU 128 2HG GLU 128 -3.785 27.439 19.197 966 HG3 GLU 128 3HG GLU 128 -2.597 28.712 19.471 967 H ASP 129 H ASP 129 -2.450 24.093 20.995 968 HA ASP 129 HA ASP 129 -5.207 24.582 21.308 969 HB2 ASP 129 2HB ASP 129 -4.395 22.400 20.620 970 HB3 ASP 129 3HB ASP 129 -3.534 22.204 22.144 971 H GLY 130 H GLY 130 -2.552 24.601 23.552 972 HA2 GLY 130 2HA GLY 130 -4.310 25.645 25.615 973 HA3 GLY 130 3HA GLY 130 -3.532 24.117 25.998 974 H ASP 131 H ASP 131 -2.085 24.651 27.523 975 HA ASP 131 HA ASP 131 -0.015 26.595 26.771 976 HB2 ASP 131 2HB ASP 131 -1.699 27.549 28.423 977 HB3 ASP 131 3HB ASP 131 -1.087 26.373 29.583 978 H GLY 132 H GLY 132 1.514 25.062 26.306 979 HA2 GLY 132 2HA GLY 132 3.347 23.773 26.899 980 HA3 GLY 132 3HA GLY 132 2.799 23.822 28.568 981 H GLU 133 H GLU 133 0.524 22.826 26.184 982 HA GLU 133 HA GLU 133 0.972 20.009 26.917 983 HB2 GLU 133 2HB GLU 133 -1.639 21.510 26.735 984 HB3 GLU 133 3HB GLU 133 -1.542 19.755 26.763 985 HG2 GLU 133 2HG GLU 133 -0.982 19.677 28.960 986 HG3 GLU 133 3HG GLU 133 -0.150 21.231 28.919 987 H VAL 134 H VAL 134 0.484 18.455 25.343 988 HA VAL 134 HA VAL 134 0.353 19.530 22.608 989 HB VAL 134 HB VAL 134 1.287 16.788 23.463 990 HG11 VAL 134 1HG1 VAL 134 0.456 17.596 21.006 991 HG12 VAL 134 2HG1 VAL 134 2.184 17.947 20.920 992 HG13 VAL 134 3HG1 VAL 134 1.632 16.314 21.294 993 HG21 VAL 134 1HG2 VAL 134 3.555 17.602 23.124 994 HG22 VAL 134 2HG2 VAL 134 2.939 19.213 22.756 995 HG23 VAL 134 3HG2 VAL 134 2.741 18.543 24.375 996 H SER 135 H SER 135 -1.607 19.439 21.741 997 HA SER 135 HA SER 135 -3.338 17.150 22.404 998 HB2 SER 135 2HB SER 135 -4.565 18.993 23.099 999 HB3 SER 135 3HB SER 135 -3.926 20.029 21.823 1000 HG SER 135 HG SER 135 -6.161 19.316 21.564 1001 H PHE 136 H PHE 136 -2.966 15.680 20.842 1002 HA PHE 136 HA PHE 136 -2.258 16.185 18.195 1003 HB2 PHE 136 2HB PHE 136 -3.019 13.890 19.780 1004 HB3 PHE 136 3HB PHE 136 -3.714 13.785 18.167 1005 HD1 PHE 136 HD1 PHE 136 -2.329 13.492 16.231 1006 HD2 PHE 136 HD2 PHE 136 -0.604 13.917 20.099 1007 HE1 PHE 136 HE1 PHE 136 -0.169 12.712 15.350 1008 HE2 PHE 136 HE2 PHE 136 1.559 13.139 19.224 1009 HZ PHE 136 HZ PHE 136 1.779 12.535 16.846 1010 H GLU 137 H GLU 137 -5.398 16.059 19.732 1011 HA GLU 137 HA GLU 137 -7.069 15.773 17.545 1012 HB2 GLU 137 2HB GLU 137 -7.814 15.821 19.911 1013 HB3 GLU 137 3HB GLU 137 -7.534 17.557 19.941 1014 HG2 GLU 137 2HG GLU 137 -9.203 16.938 17.719 1015 HG3 GLU 137 3HG GLU 137 -9.860 16.168 19.162 1016 H GLU 138 H GLU 138 -5.497 18.686 18.785 1017 HA GLU 138 HA GLU 138 -6.763 20.534 17.083 1018 HB2 GLU 138 2HB GLU 138 -4.934 20.680 19.138 1019 HB3 GLU 138 3HB GLU 138 -3.984 21.174 17.744 1020 HG2 GLU 138 2HG GLU 138 -6.486 22.502 17.617 1021 HG3 GLU 138 3HG GLU 138 -5.843 22.688 19.247 1022 H PHE 139 H PHE 139 -3.677 18.802 16.759 1023 HA PHE 139 HA PHE 139 -2.846 19.910 14.345 1024 HB2 PHE 139 2HB PHE 139 -1.782 18.105 16.044 1025 HB3 PHE 139 3HB PHE 139 -2.292 17.027 14.749 1026 HD1 PHE 139 HD1 PHE 139 -0.535 20.294 15.161 1027 HD2 PHE 139 HD2 PHE 139 -0.769 16.578 13.098 1028 HE1 PHE 139 HE1 PHE 139 1.489 20.877 13.887 1029 HE2 PHE 139 HE2 PHE 139 1.254 17.155 11.823 1030 HZ PHE 139 HZ PHE 139 2.386 19.306 12.217 1031 H LYS 140 H LYS 140 -4.674 16.899 14.879 1032 HA LYS 140 HA LYS 140 -5.038 16.203 12.208 1033 HB2 LYS 140 2HB LYS 140 -5.742 15.100 14.592 1034 HB3 LYS 140 3HB LYS 140 -7.310 15.635 14.002 1035 HG2 LYS 140 2HG LYS 140 -7.307 13.594 13.050 1036 HG3 LYS 140 3HG LYS 140 -6.407 14.439 11.788 1037 HD2 LYS 140 2HD LYS 140 -4.950 13.206 14.090 1038 HD3 LYS 140 3HD LYS 140 -5.497 12.194 12.752 1039 HE2 LYS 140 2HE LYS 140 -3.605 12.762 11.718 1040 HE3 LYS 140 3HE LYS 140 -4.322 14.358 11.498 1041 HZ1 LYS 140 1HZ LYS 140 -2.006 13.887 12.772 1042 HZ2 LYS 140 2HZ LYS 140 -3.085 13.944 14.074 1043 HZ3 LYS 140 3HZ LYS 140 -2.967 15.258 13.015 1044 H SER 141 H SER 141 -7.065 18.208 14.320 1045 HA SER 141 HA SER 141 -9.183 18.655 12.573 1046 HB2 SER 141 2HB SER 141 -9.440 19.354 14.831 1047 HB3 SER 141 3HB SER 141 -8.000 20.370 14.758 1048 HG SER 141 HG SER 141 -10.351 21.239 14.453 1049 H VAL 142 H VAL 142 -6.238 20.602 13.034 1050 HA VAL 142 HA VAL 142 -6.772 22.566 11.132 1051 HB VAL 142 HB VAL 142 -4.066 21.455 11.889 1052 HG11 VAL 142 1HG1 VAL 142 -4.951 23.833 10.330 1053 HG12 VAL 142 2HG1 VAL 142 -3.517 23.970 11.349 1054 HG13 VAL 142 3HG1 VAL 142 -3.578 22.759 10.068 1055 HG21 VAL 142 1HG2 VAL 142 -5.997 22.897 13.418 1056 HG22 VAL 142 2HG2 VAL 142 -4.390 22.349 13.897 1057 HG23 VAL 142 3HG2 VAL 142 -4.595 23.931 13.143 1058 H MET 143 H MET 143 -5.018 19.495 10.765 1059 HA MET 143 HA MET 143 -4.275 19.748 8.104 1060 HB2 MET 143 2HB MET 143 -3.807 17.878 9.904 1061 HB3 MET 143 3HB MET 143 -5.175 17.089 9.130 1062 HG2 MET 143 2HG MET 143 -3.476 16.200 7.915 1063 HG3 MET 143 3HG MET 143 -3.823 17.628 6.942 1064 HE1 MET 143 1HE MET 143 -1.411 16.721 10.179 1065 HE2 MET 143 2HE MET 143 -1.486 15.582 8.834 1066 HE3 MET 143 3HE MET 143 -0.026 16.536 9.103 1067 H MET 144 H MET 144 -7.240 18.298 9.440 1068 HA MET 144 HA MET 144 -8.424 17.587 7.014 1069 HB2 MET 144 2HB MET 144 -9.151 16.968 9.382 1070 HB3 MET 144 3HB MET 144 -9.963 18.527 9.429 1071 HG2 MET 144 2HG MET 144 -11.243 17.848 7.409 1072 HG3 MET 144 3HG MET 144 -10.515 16.249 7.547 1073 HE1 MET 144 1HE MET 144 -14.109 17.914 9.557 1074 HE2 MET 144 2HE MET 144 -13.086 18.583 8.285 1075 HE3 MET 144 3HE MET 144 -14.056 17.143 7.971 1076 H GLN 145 H GLN 145 -8.682 20.592 8.885 1077 HA GLN 145 HA GLN 145 -10.563 21.899 7.302 1078 HB2 GLN 145 2HB GLN 145 -9.305 22.544 9.570 1079 HB3 GLN 145 3HB GLN 145 -8.345 23.509 8.456 1080 HG2 GLN 145 2HG GLN 145 -9.905 25.069 8.433 1081 HG3 GLN 145 3HG GLN 145 -11.086 23.904 7.835 1082 HE21 GLN 145 1HE2 GLN 145 -11.440 26.131 9.676 1083 HE22 GLN 145 2HE2 GLN 145 -12.073 25.454 11.135 1084 H MET 146 H MET 146 -7.036 21.774 7.004 1085 HA MET 146 HA MET 146 -6.815 23.583 4.856 1086 HB2 MET 146 2HB MET 146 -5.019 21.272 5.615 1087 HB3 MET 146 3HB MET 146 -4.594 22.556 4.490 1088 HG2 MET 146 2HG MET 146 -5.492 23.635 7.008 1089 HG3 MET 146 3HG MET 146 -4.158 22.505 7.232 1090 HE1 MET 146 1HE MET 146 -1.356 24.693 7.010 1091 HE2 MET 146 2HE MET 146 -2.224 23.306 7.667 1092 HE3 MET 146 3HE MET 146 -1.455 23.196 6.083 1093 H ARG 147 H ARG 147 -7.091 20.044 4.934 1094 HA ARG 147 HA ARG 147 -6.850 19.568 2.197 1095 HB2 ARG 147 2HB ARG 147 -8.309 18.091 4.380 1096 HB3 ARG 147 3HB ARG 147 -8.272 17.503 2.723 1097 HG2 ARG 147 2HG ARG 147 -5.702 18.168 4.069 1098 HG3 ARG 147 3HG ARG 147 -6.533 16.669 4.491 1099 HD2 ARG 147 2HD ARG 147 -6.572 16.871 1.677 1100 HD3 ARG 147 3HD ARG 147 -4.933 17.263 2.197 1101 HE ARG 147 HE ARG 147 -5.993 14.906 3.445 1102 HH11 ARG 147 1HH1 ARG 147 -4.364 16.161 0.636 1103 HH12 ARG 147 2HH1 ARG 147 -3.626 14.647 0.227 1104 HH21 ARG 147 1HH2 ARG 147 -5.027 12.908 2.917 1105 HH22 ARG 147 2HH2 ARG 147 -4.005 12.798 1.525 1106 H GLY 148 H GLY 148 -9.709 20.338 4.144 1107 HA2 GLY 148 2HA GLY 148 -11.586 20.044 2.035 1108 HA3 GLY 148 3HA GLY 148 -11.851 20.913 3.540 1109 H LYS 149 H LYS 149 -10.451 23.046 3.595 1110 HA LYS 149 HA LYS 149 -11.530 24.748 1.630 1111 HB2 LYS 149 2HB LYS 149 -10.342 26.510 2.704 1112 HB3 LYS 149 3HB LYS 149 -10.834 25.391 3.968 1113 HG2 LYS 149 2HG LYS 149 -8.729 25.373 4.655 1114 HG3 LYS 149 3HG LYS 149 -8.316 24.509 3.173 1115 HD2 LYS 149 2HD LYS 149 -8.399 27.049 2.254 1116 HD3 LYS 149 3HD LYS 149 -7.872 27.327 3.915 1117 HE2 LYS 149 2HE LYS 149 -6.055 25.691 3.576 1118 HE3 LYS 149 3HE LYS 149 -6.564 25.503 1.899 1119 HZ1 LYS 149 1HZ LYS 149 -4.916 27.056 1.700 1120 HZ2 LYS 149 2HZ LYS 149 -5.242 27.781 3.193 1121 HZ3 LYS 149 3HZ LYS 149 -6.257 28.073 1.872 Start of MODEL 10 1 H1 MET 1 H MET 1 1.920 -1.815 -1.080 2 HA MET 1 HA MET 1 3.843 -1.475 -2.515 3 HB2 MET 1 2HB MET 1 1.225 -0.417 -3.541 4 HB3 MET 1 3HB MET 1 2.650 -0.443 -4.571 5 HG2 MET 1 2HG MET 1 2.221 -2.981 -3.247 6 HG3 MET 1 3HG MET 1 0.831 -2.487 -4.211 7 HE1 MET 1 1HE MET 1 5.107 -2.893 -5.858 8 HE2 MET 1 2HE MET 1 4.511 -1.310 -5.360 9 HE3 MET 1 3HE MET 1 4.656 -2.610 -4.177 10 H ALA 2 H ALA 2 1.911 1.518 -2.698 11 HA ALA 2 HA ALA 2 4.378 3.060 -2.294 12 HB1 ALA 2 1HB ALA 2 4.284 3.291 -4.572 13 HB2 ALA 2 2HB ALA 2 2.524 3.180 -4.623 14 HB3 ALA 2 3HB ALA 2 3.299 4.665 -4.069 15 H ALA 3 H ALA 3 4.156 4.888 -1.096 16 HA ALA 3 HA ALA 3 1.506 5.366 0.065 17 HB1 ALA 3 1HB ALA 3 4.229 6.255 1.010 18 HB2 ALA 3 2HB ALA 3 2.703 6.548 1.845 19 HB3 ALA 3 3HB ALA 3 3.297 4.900 1.645 20 H LEU 4 H LEU 4 0.726 7.522 0.348 21 HA LEU 4 HA LEU 4 0.780 9.115 -1.907 22 HB2 LEU 4 2HB LEU 4 -0.180 10.893 -0.471 23 HB3 LEU 4 3HB LEU 4 -0.982 9.331 -0.313 24 HG LEU 4 HG LEU 4 0.912 9.321 1.712 25 HD11 LEU 4 1HD1 LEU 4 0.538 11.401 2.925 26 HD12 LEU 4 2HD1 LEU 4 -0.406 12.029 1.574 27 HD13 LEU 4 3HD1 LEU 4 1.315 11.704 1.371 28 HD21 LEU 4 1HD2 LEU 4 -1.196 9.828 3.123 29 HD22 LEU 4 2HD2 LEU 4 -1.159 8.369 2.133 30 HD23 LEU 4 3HD2 LEU 4 -2.040 9.793 1.575 31 H THR 5 H THR 5 2.740 9.359 1.023 32 HA THR 5 HA THR 5 3.984 11.786 0.614 33 HB THR 5 HB THR 5 5.888 10.909 1.908 34 HG1 THR 5 HG1 THR 5 6.070 8.759 2.339 35 HG21 THR 5 1HG2 THR 5 3.831 11.606 3.071 36 HG22 THR 5 2HG2 THR 5 4.660 10.304 3.924 37 HG23 THR 5 3HG2 THR 5 3.223 9.955 2.963 38 H ASP 6 H ASP 6 4.879 8.617 -0.703 39 HA ASP 6 HA ASP 6 7.248 9.358 -1.975 40 HB2 ASP 6 2HB ASP 6 6.219 7.014 -1.652 41 HB3 ASP 6 3HB ASP 6 5.342 7.343 -3.143 42 H GLU 7 H GLU 7 3.916 9.361 -3.206 43 HA GLU 7 HA GLU 7 4.533 10.245 -5.805 44 HB2 GLU 7 2HB GLU 7 2.272 9.390 -4.577 45 HB3 GLU 7 3HB GLU 7 1.952 11.116 -4.662 46 HG2 GLU 7 2HG GLU 7 2.514 10.962 -7.123 47 HG3 GLU 7 3HG GLU 7 2.456 9.211 -6.925 48 H GLN 8 H GLN 8 3.965 11.961 -2.799 49 HA GLN 8 HA GLN 8 3.667 14.548 -3.875 50 HB2 GLN 8 2HB GLN 8 3.429 13.501 -1.394 51 HB3 GLN 8 3HB GLN 8 4.987 14.301 -1.240 52 HG2 GLN 8 2HG GLN 8 3.742 16.337 -2.268 53 HG3 GLN 8 3HG GLN 8 2.295 15.481 -1.738 54 HE21 GLN 8 1HE2 GLN 8 1.608 16.549 -0.013 55 HE22 GLN 8 2HE2 GLN 8 2.564 16.948 1.370 56 H ILE 9 H ILE 9 6.524 13.012 -2.391 57 HA ILE 9 HA ILE 9 8.317 15.089 -2.983 58 HB ILE 9 HB ILE 9 10.104 13.384 -2.663 59 HG12 ILE 9 2HG1 ILE 9 7.757 11.504 -2.325 60 HG13 ILE 9 3HG1 ILE 9 8.929 11.461 -3.637 61 HG21 ILE 9 1HG2 ILE 9 9.836 13.306 -0.375 62 HG22 ILE 9 2HG2 ILE 9 8.734 14.609 -0.817 63 HG23 ILE 9 3HG2 ILE 9 8.103 12.996 -0.481 64 HD11 ILE 9 1HD1 ILE 9 9.661 9.794 -2.221 65 HD12 ILE 9 2HD1 ILE 9 10.668 11.165 -1.755 66 HD13 ILE 9 3HD1 ILE 9 9.278 10.716 -0.768 67 H ARG 10 H ARG 10 7.231 12.331 -4.855 68 HA ARG 10 HA ARG 10 9.205 12.415 -6.866 69 HB2 ARG 10 2HB ARG 10 7.748 10.482 -6.565 70 HB3 ARG 10 3HB ARG 10 6.343 11.449 -6.996 71 HG2 ARG 10 2HG ARG 10 7.053 10.032 -8.843 72 HG3 ARG 10 3HG ARG 10 7.216 11.742 -9.247 73 HD2 ARG 10 2HD ARG 10 9.567 11.679 -8.963 74 HD3 ARG 10 3HD ARG 10 9.500 10.093 -8.194 75 HE ARG 10 HE ARG 10 9.555 10.645 -11.000 76 HH11 ARG 10 1HH1 ARG 10 8.463 8.389 -8.584 77 HH12 ARG 10 2HH1 ARG 10 8.436 7.039 -9.670 78 HH21 ARG 10 1HH2 ARG 10 9.525 8.876 -12.439 79 HH22 ARG 10 2HH2 ARG 10 9.041 7.317 -11.862 80 H GLU 11 H GLU 11 5.941 13.828 -6.728 81 HA GLU 11 HA GLU 11 6.066 15.085 -9.251 82 HB2 GLU 11 2HB GLU 11 4.310 15.223 -6.874 83 HB3 GLU 11 3HB GLU 11 4.304 16.640 -7.914 84 HG2 GLU 11 2HG GLU 11 3.896 13.871 -8.990 85 HG3 GLU 11 3HG GLU 11 2.566 14.850 -8.371 86 H ALA 12 H ALA 12 6.919 16.162 -6.003 87 HA ALA 12 HA ALA 12 7.364 18.871 -6.580 88 HB1 ALA 12 1HB ALA 12 9.075 17.527 -4.558 89 HB2 ALA 12 2HB ALA 12 8.179 19.044 -4.458 90 HB3 ALA 12 3HB ALA 12 7.329 17.506 -4.313 91 H PHE 13 H PHE 13 9.736 16.216 -6.328 92 HA PHE 13 HA PHE 13 11.963 17.685 -7.152 93 HB2 PHE 13 2HB PHE 13 12.161 15.492 -6.092 94 HB3 PHE 13 3HB PHE 13 11.406 14.731 -7.488 95 HD1 PHE 13 HD1 PHE 13 12.998 13.384 -8.469 96 HD2 PHE 13 HD2 PHE 13 14.071 17.321 -7.261 97 HE1 PHE 13 HE1 PHE 13 15.211 13.095 -9.505 98 HE2 PHE 13 HE2 PHE 13 16.285 17.039 -8.296 99 HZ PHE 13 HZ PHE 13 16.857 14.925 -9.421 100 H ASN 14 H ASN 14 9.502 15.999 -9.006 101 HA ASN 14 HA ASN 14 10.778 16.079 -11.514 102 HB2 ASN 14 2HB ASN 14 8.909 14.622 -11.253 103 HB3 ASN 14 3HB ASN 14 7.867 15.942 -10.729 104 HD21 ASN 14 1HD2 ASN 14 10.103 15.625 -13.458 105 HD22 ASN 14 2HD2 ASN 14 8.928 15.952 -14.681 106 H LEU 15 H LEU 15 8.495 18.311 -9.964 107 HA LEU 15 HA LEU 15 8.318 20.123 -12.119 108 HB2 LEU 15 2HB LEU 15 7.538 20.055 -9.295 109 HB3 LEU 15 3HB LEU 15 7.872 21.671 -9.915 110 HG LEU 15 HG LEU 15 5.475 21.026 -10.001 111 HD11 LEU 15 1HD1 LEU 15 7.033 21.765 -12.435 112 HD12 LEU 15 2HD1 LEU 15 5.939 22.743 -11.458 113 HD13 LEU 15 3HD1 LEU 15 5.290 21.524 -12.555 114 HD21 LEU 15 1HD2 LEU 15 6.175 18.593 -10.666 115 HD22 LEU 15 2HD2 LEU 15 6.095 19.237 -12.306 116 HD23 LEU 15 3HD2 LEU 15 4.669 19.287 -11.268 117 H PHE 16 H PHE 16 10.260 20.234 -9.135 118 HA PHE 16 HA PHE 16 11.590 22.620 -9.599 119 HB2 PHE 16 2HB PHE 16 12.553 20.121 -8.198 120 HB3 PHE 16 3HB PHE 16 13.397 21.665 -8.141 121 HD1 PHE 16 HD1 PHE 16 11.240 23.583 -7.826 122 HD2 PHE 16 HD2 PHE 16 11.739 19.735 -6.076 123 HE1 PHE 16 HE1 PHE 16 9.849 24.274 -5.917 124 HE2 PHE 16 HE2 PHE 16 10.348 20.420 -4.165 125 HZ PHE 16 HZ PHE 16 9.400 22.691 -4.084 126 H ASP 17 H ASP 17 12.431 19.350 -10.665 127 HA ASP 17 HA ASP 17 14.866 20.116 -11.929 128 HB2 ASP 17 2HB ASP 17 13.847 17.737 -11.186 129 HB3 ASP 17 3HB ASP 17 13.434 17.706 -12.898 130 H ALA 18 H ALA 18 11.535 20.109 -12.880 131 HA ALA 18 HA ALA 18 11.710 19.995 -15.644 132 HB1 ALA 18 1HB ALA 18 9.801 21.955 -14.524 133 HB2 ALA 18 2HB ALA 18 9.537 20.629 -15.658 134 HB3 ALA 18 3HB ALA 18 9.677 20.298 -13.931 135 H ASP 19 H ASP 19 12.578 22.563 -13.465 136 HA ASP 19 HA ASP 19 12.523 24.782 -15.111 137 HB2 ASP 19 2HB ASP 19 13.154 24.624 -12.629 138 HB3 ASP 19 3HB ASP 19 14.783 24.257 -13.188 139 H GLY 20 H GLY 20 14.779 22.111 -15.067 140 HA2 GLY 20 2HA GLY 20 16.177 21.450 -16.813 141 HA3 GLY 20 3HA GLY 20 15.845 22.974 -17.623 142 H SER 21 H SER 21 16.834 23.000 -14.305 143 HA SER 21 HA SER 21 19.418 24.131 -15.139 144 HB2 SER 21 2HB SER 21 17.583 24.674 -12.842 145 HB3 SER 21 3HB SER 21 19.312 24.942 -12.621 146 HG SER 21 HG SER 21 19.263 26.558 -14.022 147 H GLY 22 H GLY 22 21.304 23.652 -13.848 148 HA2 GLY 22 2HA GLY 22 21.586 20.885 -13.317 149 HA3 GLY 22 3HA GLY 22 22.773 22.129 -12.953 150 H ALA 23 H ALA 23 20.656 23.551 -11.320 151 HA ALA 23 HA ALA 23 20.157 21.759 -9.112 152 HB1 ALA 23 1HB ALA 23 21.803 22.332 -7.721 153 HB2 ALA 23 2HB ALA 23 22.615 23.002 -9.136 154 HB3 ALA 23 3HB ALA 23 21.641 24.047 -8.102 155 H ILE 24 H ILE 24 19.056 22.902 -7.294 156 HA ILE 24 HA ILE 24 17.534 25.217 -8.301 157 HB ILE 24 HB ILE 24 16.520 23.114 -6.388 158 HG12 ILE 24 2HG1 ILE 24 14.989 22.807 -8.584 159 HG13 ILE 24 3HG1 ILE 24 16.497 23.295 -9.349 160 HG21 ILE 24 1HG2 ILE 24 15.422 25.204 -6.032 161 HG22 ILE 24 2HG2 ILE 24 15.196 25.442 -7.764 162 HG23 ILE 24 3HG2 ILE 24 14.317 24.162 -6.928 163 HD11 ILE 24 1HD1 ILE 24 17.641 21.430 -8.541 164 HD12 ILE 24 2HD1 ILE 24 16.401 21.081 -7.336 165 HD13 ILE 24 3HD1 ILE 24 16.070 20.807 -9.046 166 H ASP 25 H ASP 25 17.526 27.004 -7.090 167 HA ASP 25 HA ASP 25 18.935 26.943 -4.534 168 HB2 ASP 25 2HB ASP 25 17.931 29.398 -5.968 169 HB3 ASP 25 3HB ASP 25 19.211 29.289 -4.763 170 H ALA 26 H ALA 26 17.963 28.900 -3.067 171 HA ALA 26 HA ALA 26 15.525 27.845 -2.044 172 HB1 ALA 26 1HB ALA 26 17.495 29.831 -1.241 173 HB2 ALA 26 2HB ALA 26 15.844 30.288 -0.818 174 HB3 ALA 26 3HB ALA 26 16.505 28.753 -0.257 175 H GLU 27 H GLU 27 16.368 30.733 -3.900 176 HA GLU 27 HA GLU 27 13.921 32.061 -3.777 177 HB2 GLU 27 2HB GLU 27 14.617 33.157 -5.887 178 HB3 GLU 27 3HB GLU 27 15.888 33.143 -4.673 179 HG2 GLU 27 2HG GLU 27 16.801 31.097 -5.834 180 HG3 GLU 27 3HG GLU 27 15.667 31.445 -7.138 181 H GLU 28 H GLU 28 15.035 29.525 -5.973 182 HA GLU 28 HA GLU 28 12.791 29.560 -7.686 183 HB2 GLU 28 2HB GLU 28 15.195 28.048 -7.411 184 HB3 GLU 28 3HB GLU 28 13.852 26.922 -7.551 185 HG2 GLU 28 2HG GLU 28 14.316 27.196 -9.747 186 HG3 GLU 28 3HG GLU 28 13.186 28.532 -9.540 187 H MET 29 H MET 29 13.558 27.638 -4.806 188 HA MET 29 HA MET 29 11.331 25.955 -4.844 189 HB2 MET 29 2HB MET 29 13.450 25.969 -3.317 190 HB3 MET 29 3HB MET 29 12.465 26.974 -2.262 191 HG2 MET 29 2HG MET 29 10.931 24.714 -3.054 192 HG3 MET 29 3HG MET 29 12.504 24.162 -2.481 193 HE1 MET 29 1HE MET 29 12.894 24.603 0.864 194 HE2 MET 29 2HE MET 29 13.623 25.218 -0.620 195 HE3 MET 29 3HE MET 29 12.898 26.336 0.537 196 H ALA 30 H ALA 30 11.769 29.101 -3.245 197 HA ALA 30 HA ALA 30 9.209 29.237 -2.088 198 HB1 ALA 30 1HB ALA 30 10.170 31.851 -2.762 199 HB2 ALA 30 2HB ALA 30 10.059 31.075 -1.182 200 HB3 ALA 30 3HB ALA 30 11.501 30.854 -2.173 201 H LEU 31 H LEU 31 10.454 30.484 -5.170 202 HA LEU 31 HA LEU 31 8.198 31.846 -6.035 203 HB2 LEU 31 2HB LEU 31 10.645 30.891 -7.171 204 HB3 LEU 31 3HB LEU 31 9.321 30.585 -8.294 205 HG LEU 31 HG LEU 31 10.483 32.718 -8.721 206 HD11 LEU 31 1HD1 LEU 31 7.750 32.222 -8.641 207 HD12 LEU 31 2HD1 LEU 31 8.570 33.509 -9.524 208 HD13 LEU 31 3HD1 LEU 31 7.940 33.814 -7.906 209 HD21 LEU 31 1HD2 LEU 31 11.116 33.300 -6.458 210 HD22 LEU 31 2HD2 LEU 31 9.421 33.465 -5.998 211 HD23 LEU 31 3HD2 LEU 31 10.135 34.589 -7.156 212 H ALA 32 H ALA 32 9.068 28.439 -6.571 213 HA ALA 32 HA ALA 32 6.788 27.750 -8.063 214 HB1 ALA 32 1HB ALA 32 8.317 26.102 -8.288 215 HB2 ALA 32 2HB ALA 32 8.920 26.285 -6.641 216 HB3 ALA 32 3HB ALA 32 7.425 25.398 -6.940 217 H MET 33 H MET 33 7.476 27.400 -4.588 218 HA MET 33 HA MET 33 5.139 26.167 -3.788 219 HB2 MET 33 2HB MET 33 7.214 27.790 -2.508 220 HB3 MET 33 3HB MET 33 5.653 27.891 -1.706 221 HG2 MET 33 2HG MET 33 5.594 25.556 -1.328 222 HG3 MET 33 3HG MET 33 6.969 25.283 -2.396 223 HE1 MET 33 1HE MET 33 7.421 28.441 0.156 224 HE2 MET 33 2HE MET 33 5.900 27.580 0.391 225 HE3 MET 33 3HE MET 33 7.168 27.481 1.614 226 H LYS 34 H LYS 34 5.758 29.613 -4.294 227 HA LYS 34 HA LYS 34 3.214 30.496 -3.395 228 HB2 LYS 34 2HB LYS 34 5.087 32.030 -3.473 229 HB3 LYS 34 3HB LYS 34 5.248 31.803 -5.210 230 HG2 LYS 34 2HG LYS 34 3.099 32.868 -5.573 231 HG3 LYS 34 3HG LYS 34 2.875 33.045 -3.831 232 HD2 LYS 34 2HD LYS 34 5.292 34.191 -5.180 233 HD3 LYS 34 3HD LYS 34 3.756 35.059 -5.206 234 HE2 LYS 34 2HE LYS 34 4.245 34.153 -2.551 235 HE3 LYS 34 3HE LYS 34 5.695 34.963 -3.142 236 HZ1 LYS 34 1HZ LYS 34 3.107 36.256 -3.592 237 HZ2 LYS 34 2HZ LYS 34 4.626 36.949 -3.325 238 HZ3 LYS 34 3HZ LYS 34 3.754 36.298 -2.030 239 H GLY 35 H GLY 35 4.550 29.880 -6.634 240 HA2 GLY 35 2HA GLY 35 2.356 30.648 -8.156 241 HA3 GLY 35 3HA GLY 35 3.509 29.407 -8.625 242 H LEU 36 H LEU 36 2.959 27.583 -6.509 243 HA LEU 36 HA LEU 36 0.602 26.343 -7.606 244 HB2 LEU 36 2HB LEU 36 2.302 25.443 -5.287 245 HB3 LEU 36 3HB LEU 36 1.157 24.464 -6.202 246 HG LEU 36 HG LEU 36 3.489 25.689 -7.609 247 HD11 LEU 36 1HD1 LEU 36 4.486 24.657 -5.658 248 HD12 LEU 36 2HD1 LEU 36 4.821 23.692 -7.095 249 HD13 LEU 36 3HD1 LEU 36 3.582 23.172 -5.953 250 HD21 LEU 36 1HD2 LEU 36 1.602 23.418 -7.997 251 HD22 LEU 36 2HD2 LEU 36 3.216 23.314 -8.700 252 HD23 LEU 36 3HD2 LEU 36 2.145 24.644 -9.143 253 H GLY 37 H GLY 37 1.408 28.217 -4.805 254 HA2 GLY 37 2HA GLY 37 0.079 29.107 -3.155 255 HA3 GLY 37 3HA GLY 37 -1.309 28.605 -4.108 256 H PHE 38 H PHE 38 0.973 26.184 -3.221 257 HA PHE 38 HA PHE 38 -0.742 25.326 -0.992 258 HB2 PHE 38 2HB PHE 38 -0.519 24.045 -3.510 259 HB3 PHE 38 3HB PHE 38 0.329 23.035 -2.344 260 HD1 PHE 38 HD1 PHE 38 -0.887 21.442 -1.233 261 HD2 PHE 38 HD2 PHE 38 -2.869 24.935 -2.643 262 HE1 PHE 38 HE1 PHE 38 -3.037 20.530 -0.459 263 HE2 PHE 38 HE2 PHE 38 -5.022 24.029 -1.870 264 HZ PHE 38 HZ PHE 38 -5.108 21.825 -0.775 265 H GLY 39 H GLY 39 0.283 24.234 0.685 266 HA2 GLY 39 2HA GLY 39 2.020 23.587 2.043 267 HA3 GLY 39 3HA GLY 39 2.974 23.347 0.587 268 H ASP 40 H ASP 40 1.492 26.332 1.785 269 HA ASP 40 HA ASP 40 3.968 27.751 1.428 270 HB2 ASP 40 2HB ASP 40 1.873 28.863 0.899 271 HB3 ASP 40 3HB ASP 40 1.301 28.635 2.549 272 H LEU 41 H LEU 41 5.553 27.526 2.863 273 HA LEU 41 HA LEU 41 4.870 27.265 5.708 274 HB2 LEU 41 2HB LEU 41 7.205 26.419 4.052 275 HB3 LEU 41 3HB LEU 41 7.421 26.690 5.780 276 HG LEU 41 HG LEU 41 7.071 24.324 5.248 277 HD11 LEU 41 1HD1 LEU 41 5.305 23.891 6.873 278 HD12 LEU 41 2HD1 LEU 41 4.779 25.570 6.759 279 HD13 LEU 41 3HD1 LEU 41 6.369 25.188 7.419 280 HD21 LEU 41 1HD2 LEU 41 4.358 25.215 4.276 281 HD22 LEU 41 2HD2 LEU 41 4.904 23.546 4.446 282 HD23 LEU 41 3HD2 LEU 41 5.670 24.609 3.265 283 HA PRO 42 HA PRO 42 6.494 31.201 6.765 284 HB2 PRO 42 2HB PRO 42 7.737 30.695 9.124 285 HB3 PRO 42 3HB PRO 42 5.978 30.717 8.951 286 HG2 PRO 42 2HG PRO 42 7.846 28.379 9.011 287 HG3 PRO 42 3HG PRO 42 6.274 28.576 9.807 288 HD2 PRO 42 2HD PRO 42 6.579 27.172 7.512 289 HD3 PRO 42 3HD PRO 42 5.099 28.077 7.888 290 H ARG 43 H ARG 43 8.442 32.453 7.093 291 HA ARG 43 HA ARG 43 10.563 31.707 5.442 292 HB2 ARG 43 2HB ARG 43 11.759 33.644 6.417 293 HB3 ARG 43 3HB ARG 43 10.113 34.033 5.938 294 HG2 ARG 43 2HG ARG 43 10.024 35.000 7.958 295 HG3 ARG 43 3HG ARG 43 9.719 33.355 8.518 296 HD2 ARG 43 2HD ARG 43 12.280 33.167 8.688 297 HD3 ARG 43 3HD ARG 43 12.272 34.927 8.586 298 HE ARG 43 HE ARG 43 11.578 33.343 10.849 299 HH11 ARG 43 1HH1 ARG 43 10.860 36.324 9.200 300 HH12 ARG 43 2HH1 ARG 43 10.314 37.135 10.630 301 HH21 ARG 43 1HH2 ARG 43 10.862 34.400 12.739 302 HH22 ARG 43 2HH2 ARG 43 10.316 36.040 12.643 303 H ASP 44 H ASP 44 10.212 31.510 8.954 304 HA ASP 44 HA ASP 44 12.817 30.761 9.607 305 HB2 ASP 44 2HB ASP 44 11.659 29.579 11.581 306 HB3 ASP 44 3HB ASP 44 11.430 31.318 11.417 307 H GLU 45 H GLU 45 10.032 28.752 8.714 308 HA GLU 45 HA GLU 45 11.332 26.267 9.030 309 HB2 GLU 45 2HB GLU 45 8.857 26.603 8.886 310 HB3 GLU 45 3HB GLU 45 9.043 26.912 7.166 311 HG2 GLU 45 2HG GLU 45 10.185 24.393 8.216 312 HG3 GLU 45 3HG GLU 45 8.428 24.520 8.143 313 H VAL 46 H VAL 46 11.246 28.588 6.431 314 HA VAL 46 HA VAL 46 12.216 26.875 4.381 315 HB VAL 46 HB VAL 46 12.511 29.876 4.544 316 HG11 VAL 46 1HG1 VAL 46 12.662 27.890 2.293 317 HG12 VAL 46 2HG1 VAL 46 12.386 29.611 2.020 318 HG13 VAL 46 3HG1 VAL 46 13.872 29.068 2.800 319 HG21 VAL 46 1HG2 VAL 46 10.148 28.270 4.351 320 HG22 VAL 46 2HG2 VAL 46 10.299 30.027 4.390 321 HG23 VAL 46 3HG2 VAL 46 10.378 29.169 2.851 322 H GLU 47 H GLU 47 13.828 29.348 6.382 323 HA GLU 47 HA GLU 47 16.420 28.879 5.400 324 HB2 GLU 47 2HB GLU 47 17.178 30.048 7.463 325 HB3 GLU 47 3HB GLU 47 15.928 30.917 6.583 326 HG2 GLU 47 2HG GLU 47 14.251 30.045 8.163 327 HG3 GLU 47 3HG GLU 47 15.545 29.264 9.069 328 H ARG 48 H ARG 48 14.636 27.485 8.107 329 HA ARG 48 HA ARG 48 16.781 26.030 9.224 330 HB2 ARG 48 2HB ARG 48 14.390 26.560 10.155 331 HB3 ARG 48 3HB ARG 48 13.955 25.048 9.369 332 HG2 ARG 48 2HG ARG 48 15.655 23.878 10.681 333 HG3 ARG 48 3HG ARG 48 16.079 25.396 11.475 334 HD2 ARG 48 2HD ARG 48 13.348 25.249 11.804 335 HD3 ARG 48 3HD ARG 48 13.865 23.573 11.979 336 HE ARG 48 HE ARG 48 14.761 24.123 14.000 337 HH11 ARG 48 1HH1 ARG 48 14.402 27.030 12.118 338 HH12 ARG 48 2HH1 ARG 48 14.893 28.080 13.406 339 HH21 ARG 48 1HH2 ARG 48 15.409 25.495 15.704 340 HH22 ARG 48 2HH2 ARG 48 15.466 27.206 15.445 341 H THR 49 H THR 49 14.228 25.086 6.937 342 HA THR 49 HA THR 49 14.981 22.409 6.631 343 HB THR 49 HB THR 49 13.848 22.609 4.355 344 HG1 THR 49 HG1 THR 49 13.571 24.585 3.672 345 HG21 THR 49 1HG2 THR 49 12.260 21.834 5.744 346 HG22 THR 49 2HG2 THR 49 11.643 23.486 5.723 347 HG23 THR 49 3HG2 THR 49 12.705 22.957 7.028 348 H VAL 50 H VAL 50 15.956 25.296 4.812 349 HA VAL 50 HA VAL 50 17.559 23.970 2.913 350 HB VAL 50 HB VAL 50 17.824 26.794 3.953 351 HG11 VAL 50 1HG1 VAL 50 18.754 26.995 1.492 352 HG12 VAL 50 2HG1 VAL 50 19.802 26.532 2.835 353 HG13 VAL 50 3HG1 VAL 50 19.154 25.298 1.753 354 HG21 VAL 50 1HG2 VAL 50 15.735 25.621 2.530 355 HG22 VAL 50 2HG2 VAL 50 16.044 27.345 2.735 356 HG23 VAL 50 3HG2 VAL 50 16.675 26.498 1.322 357 H ARG 51 H ARG 51 18.293 25.341 6.088 358 HA ARG 51 HA ARG 51 21.086 25.024 5.984 359 HB2 ARG 51 2HB ARG 51 19.757 26.379 7.661 360 HB3 ARG 51 3HB ARG 51 19.391 24.863 8.474 361 HG2 ARG 51 2HG ARG 51 22.231 25.194 7.975 362 HG3 ARG 51 3HG ARG 51 21.553 26.495 8.956 363 HD2 ARG 51 2HD ARG 51 21.165 23.560 9.519 364 HD3 ARG 51 3HD ARG 51 22.408 24.559 10.272 365 HE ARG 51 HE ARG 51 19.871 25.742 10.630 366 HH11 ARG 51 1HH1 ARG 51 21.802 23.059 11.723 367 HH12 ARG 51 2HH1 ARG 51 21.035 22.970 13.274 368 HH21 ARG 51 1HH2 ARG 51 18.854 25.635 12.669 369 HH22 ARG 51 2HH2 ARG 51 19.358 24.436 13.811 370 H SER 52 H SER 52 18.516 22.881 7.144 371 HA SER 52 HA SER 52 20.220 20.853 8.128 372 HB2 SER 52 2HB SER 52 17.371 20.616 7.129 373 HB3 SER 52 3HB SER 52 18.216 19.437 8.132 374 HG SER 52 HG SER 52 18.430 21.161 9.704 375 H MET 53 H MET 53 18.405 21.106 5.072 376 HA MET 53 HA MET 53 19.384 18.730 3.937 377 HB2 MET 53 2HB MET 53 18.208 21.237 2.760 378 HB3 MET 53 3HB MET 53 18.757 19.916 1.736 379 HG2 MET 53 2HG MET 53 16.976 18.656 2.199 380 HG3 MET 53 3HG MET 53 17.008 19.069 3.912 381 HE1 MET 53 1HE MET 53 16.644 20.731 0.518 382 HE2 MET 53 2HE MET 53 15.245 21.796 0.669 383 HE3 MET 53 3HE MET 53 16.778 22.241 1.420 384 H ASN 54 H ASN 54 20.296 22.074 3.075 385 HA ASN 54 HA ASN 54 22.723 21.139 1.821 386 HB2 ASN 54 2HB ASN 54 21.460 22.999 0.832 387 HB3 ASN 54 3HB ASN 54 21.712 23.953 2.291 388 HD21 ASN 54 1HD2 ASN 54 23.912 21.885 0.444 389 HD22 ASN 54 2HD2 ASN 54 25.074 23.121 0.115 390 H THR 55 H THR 55 23.976 20.278 3.467 391 HA THR 55 HA THR 55 24.493 21.481 5.944 392 HB THR 55 HB THR 55 25.022 19.144 5.571 393 HG1 THR 55 HG1 THR 55 27.408 19.364 6.211 394 HG21 THR 55 1HG2 THR 55 25.782 19.573 3.159 395 HG22 THR 55 2HG2 THR 55 26.662 18.357 4.085 396 HG23 THR 55 3HG2 THR 55 27.352 19.964 3.859 397 H ASN 56 H ASN 56 26.076 21.822 2.814 398 HA ASN 56 HA ASN 56 27.897 23.816 3.979 399 HB2 ASN 56 2HB ASN 56 28.070 22.049 1.558 400 HB3 ASN 56 3HB ASN 56 29.019 23.530 1.638 401 HD21 ASN 56 1HD2 ASN 56 30.036 20.883 1.511 402 HD22 ASN 56 2HD2 ASN 56 30.931 20.599 2.961 403 H ALA 57 H ALA 57 27.018 25.783 3.875 404 HA ALA 57 HA ALA 57 25.083 26.597 1.987 405 HB1 ALA 57 1HB ALA 57 26.834 28.530 3.462 406 HB2 ALA 57 2HB ALA 57 25.132 28.679 3.023 407 HB3 ALA 57 3HB ALA 57 25.617 27.575 4.310 408 H ASN 58 H ASN 58 25.823 26.225 -0.098 409 HA ASN 58 HA ASN 58 27.995 28.006 -0.988 410 HB2 ASN 58 2HB ASN 58 27.466 25.139 -1.598 411 HB3 ASN 58 3HB ASN 58 28.086 26.147 -2.903 412 HD21 ASN 58 1HD2 ASN 58 29.047 24.019 -0.741 413 HD22 ASN 58 2HD2 ASN 58 30.630 24.603 -0.371 414 H GLY 59 H GLY 59 24.862 27.950 -0.921 415 HA2 GLY 59 2HA GLY 59 23.293 29.078 -2.185 416 HA3 GLY 59 3HA GLY 59 24.556 29.436 -3.354 417 H LEU 60 H LEU 60 24.121 26.139 -2.483 418 HA LEU 60 HA LEU 60 22.397 25.634 -4.792 419 HB2 LEU 60 2HB LEU 60 25.188 25.225 -4.797 420 HB3 LEU 60 3HB LEU 60 24.440 23.632 -4.700 421 HG LEU 60 HG LEU 60 23.011 24.519 -6.712 422 HD11 LEU 60 1HD1 LEU 60 25.305 26.416 -6.564 423 HD12 LEU 60 2HD1 LEU 60 23.623 26.712 -7.002 424 HD13 LEU 60 3HD1 LEU 60 24.702 25.907 -8.141 425 HD21 LEU 60 1HD2 LEU 60 24.879 23.732 -8.249 426 HD22 LEU 60 2HD2 LEU 60 24.356 22.612 -6.991 427 HD23 LEU 60 3HD2 LEU 60 25.848 23.532 -6.789 428 H ILE 61 H ILE 61 21.208 23.727 -4.680 429 HA ILE 61 HA ILE 61 21.321 22.348 -2.077 430 HB ILE 61 HB ILE 61 18.890 22.692 -3.835 431 HG12 ILE 61 2HG1 ILE 61 19.596 24.105 -1.253 432 HG13 ILE 61 3HG1 ILE 61 19.672 24.833 -2.854 433 HG21 ILE 61 1HG2 ILE 61 17.944 21.142 -2.563 434 HG22 ILE 61 2HG2 ILE 61 19.465 20.924 -1.698 435 HG23 ILE 61 3HG2 ILE 61 18.285 22.100 -1.122 436 HD11 ILE 61 1HD1 ILE 61 17.240 23.925 -1.351 437 HD12 ILE 61 2HD1 ILE 61 17.658 25.557 -1.876 438 HD13 ILE 61 3HD1 ILE 61 17.216 24.333 -3.066 439 H GLU 62 H GLU 62 21.555 20.193 -2.060 440 HA GLU 62 HA GLU 62 21.939 18.836 -4.593 441 HB2 GLU 62 2HB GLU 62 22.595 18.284 -1.749 442 HB3 GLU 62 3HB GLU 62 22.364 16.892 -2.797 443 HG2 GLU 62 2HG GLU 62 24.004 18.573 -4.262 444 HG3 GLU 62 3HG GLU 62 24.595 18.719 -2.608 445 H TYR 63 H TYR 63 20.715 17.186 -5.398 446 HA TYR 63 HA TYR 63 17.981 17.091 -4.666 447 HB2 TYR 63 2HB TYR 63 17.771 15.370 -6.377 448 HB3 TYR 63 3HB TYR 63 18.783 16.684 -6.966 449 HD1 TYR 63 HD1 TYR 63 18.715 13.177 -5.914 450 HD2 TYR 63 HD2 TYR 63 21.159 16.350 -7.350 451 HE1 TYR 63 HE1 TYR 63 20.486 11.559 -6.456 452 HE2 TYR 63 HE2 TYR 63 22.937 14.741 -7.897 453 HH TYR 63 HH TYR 63 22.505 11.557 -8.204 454 H GLY 64 H GLY 64 20.743 15.014 -3.994 455 HA2 GLY 64 2HA GLY 64 19.328 12.824 -2.922 456 HA3 GLY 64 3HA GLY 64 21.004 13.227 -2.577 457 H GLU 65 H GLU 65 20.909 15.549 -1.253 458 HA GLU 65 HA GLU 65 20.033 14.776 1.325 459 HB2 GLU 65 2HB GLU 65 21.002 17.422 0.242 460 HB3 GLU 65 3HB GLU 65 20.640 17.148 1.940 461 HG2 GLU 65 2HG GLU 65 22.787 15.864 0.280 462 HG3 GLU 65 3HG GLU 65 22.977 16.918 1.680 463 H PHE 66 H PHE 66 18.614 16.700 -1.214 464 HA PHE 66 HA PHE 66 16.639 18.009 0.319 465 HB2 PHE 66 2HB PHE 66 17.186 18.791 -1.907 466 HB3 PHE 66 3HB PHE 66 16.683 17.257 -2.609 467 HD1 PHE 66 HD1 PHE 66 14.334 16.699 -2.830 468 HD2 PHE 66 HD2 PHE 66 15.571 20.429 -1.195 469 HE1 PHE 66 HE1 PHE 66 12.055 17.579 -3.121 470 HE2 PHE 66 HE2 PHE 66 13.294 21.314 -1.483 471 HZ PHE 66 HZ PHE 66 11.532 19.889 -2.446 472 H GLU 67 H GLU 67 16.336 15.166 -1.819 473 HA GLU 67 HA GLU 67 13.709 14.528 -1.042 474 HB2 GLU 67 2HB GLU 67 14.093 12.378 -2.128 475 HB3 GLU 67 3HB GLU 67 14.733 13.689 -3.108 476 HG2 GLU 67 2HG GLU 67 16.982 13.177 -2.031 477 HG3 GLU 67 3HG GLU 67 16.236 11.682 -1.468 478 H ARG 68 H ARG 68 16.850 13.531 0.200 479 HA ARG 68 HA ARG 68 15.988 11.470 1.893 480 HB2 ARG 68 2HB ARG 68 18.337 11.783 1.364 481 HB3 ARG 68 3HB ARG 68 18.340 13.348 2.165 482 HG2 ARG 68 2HG ARG 68 17.477 11.090 3.835 483 HG3 ARG 68 3HG ARG 68 19.162 11.050 3.309 484 HD2 ARG 68 2HD ARG 68 19.643 13.107 4.337 485 HD3 ARG 68 3HD ARG 68 17.936 13.509 4.518 486 HE ARG 68 HE ARG 68 18.324 11.215 5.988 487 HH11 ARG 68 1HH1 ARG 68 19.599 14.455 5.973 488 HH12 ARG 68 2HH1 ARG 68 19.909 14.481 7.677 489 HH21 ARG 68 1HH2 ARG 68 18.727 11.237 8.233 490 HH22 ARG 68 2HH2 ARG 68 19.413 12.649 8.962 491 H MET 69 H MET 69 16.402 14.943 2.494 492 HA MET 69 HA MET 69 15.693 14.860 5.228 493 HB2 MET 69 2HB MET 69 16.905 16.741 4.165 494 HB3 MET 69 3HB MET 69 15.441 17.167 3.290 495 HG2 MET 69 2HG MET 69 15.241 18.610 5.015 496 HG3 MET 69 3HG MET 69 14.442 17.218 5.742 497 HE1 MET 69 1HE MET 69 16.599 15.525 7.847 498 HE2 MET 69 2HE MET 69 15.743 16.760 8.771 499 HE3 MET 69 3HE MET 69 14.965 16.000 7.381 500 H VAL 70 H VAL 70 13.809 15.702 2.327 501 HA VAL 70 HA VAL 70 11.389 16.296 3.531 502 HB VAL 70 HB VAL 70 11.807 14.894 0.887 503 HG11 VAL 70 1HG1 VAL 70 9.425 16.288 2.082 504 HG12 VAL 70 2HG1 VAL 70 9.599 16.014 0.347 505 HG13 VAL 70 3HG1 VAL 70 9.529 14.643 1.456 506 HG21 VAL 70 1HG2 VAL 70 11.135 17.662 0.670 507 HG22 VAL 70 2HG2 VAL 70 12.535 17.487 1.728 508 HG23 VAL 70 3HG2 VAL 70 12.575 16.822 0.095 509 H LYS 71 H LYS 71 12.640 13.137 2.514 510 HA LYS 71 HA LYS 71 10.315 11.685 3.276 511 HB2 LYS 71 2HB LYS 71 12.209 10.994 1.659 512 HB3 LYS 71 3HB LYS 71 13.075 10.500 3.108 513 HG2 LYS 71 2HG LYS 71 10.312 9.501 2.831 514 HG3 LYS 71 3HG LYS 71 11.503 8.860 1.697 515 HD2 LYS 71 2HD LYS 71 11.882 8.909 4.688 516 HD3 LYS 71 3HD LYS 71 11.237 7.527 3.800 517 HE2 LYS 71 2HE LYS 71 13.457 7.957 2.372 518 HE3 LYS 71 3HE LYS 71 13.996 8.596 3.924 519 HZ1 LYS 71 1HZ LYS 71 12.991 5.862 3.364 520 HZ2 LYS 71 2HZ LYS 71 13.267 6.456 4.923 521 HZ3 LYS 71 3HZ LYS 71 14.555 6.303 3.837 522 H SER 72 H SER 72 13.170 12.760 4.948 523 HA SER 72 HA SER 72 13.038 11.002 7.158 524 HB2 SER 72 2HB SER 72 14.539 13.389 6.409 525 HB3 SER 72 3HB SER 72 14.166 13.344 8.132 526 HG SER 72 HG SER 72 14.967 11.051 7.922 527 H ARG 73 H ARG 73 11.947 14.378 6.802 528 HA ARG 73 HA ARG 73 10.650 14.445 9.331 529 HB2 ARG 73 2HB ARG 73 9.641 16.554 8.492 530 HB3 ARG 73 3HB ARG 73 11.389 16.502 8.307 531 HG2 ARG 73 2HG ARG 73 10.899 17.266 6.249 532 HG3 ARG 73 3HG ARG 73 10.666 15.550 5.911 533 HD2 ARG 73 2HD ARG 73 8.702 16.365 5.087 534 HD3 ARG 73 3HD ARG 73 8.221 16.081 6.760 535 HE ARG 73 HE ARG 73 9.139 18.650 6.743 536 HH11 ARG 73 1HH1 ARG 73 6.723 16.888 4.961 537 HH12 ARG 73 2HH1 ARG 73 5.708 18.271 4.716 538 HH21 ARG 73 1HH2 ARG 73 7.811 20.478 6.428 539 HH22 ARG 73 2HH2 ARG 73 6.328 20.312 5.550 540 H MET 74 H MET 74 9.595 13.728 6.051 541 HA MET 74 HA MET 74 6.821 13.740 6.522 542 HB2 MET 74 2HB MET 74 8.599 12.502 4.459 543 HB3 MET 74 3HB MET 74 6.904 12.036 4.521 544 HG2 MET 74 2HG MET 74 7.397 14.927 4.580 545 HG3 MET 74 3HG MET 74 7.881 14.112 3.094 546 HE1 MET 74 1HE MET 74 3.806 14.345 5.034 547 HE2 MET 74 2HE MET 74 5.380 14.858 5.643 548 HE3 MET 74 3HE MET 74 4.494 15.883 4.513 549 H ALA 75 H ALA 75 9.273 11.240 6.903 550 HA ALA 75 HA ALA 75 7.688 9.002 7.253 551 HB1 ALA 75 1HB ALA 75 10.402 9.765 7.862 552 HB2 ALA 75 2HB ALA 75 9.740 8.715 9.115 553 HB3 ALA 75 3HB ALA 75 9.747 8.184 7.433 554 H GLN 76 H GLN 76 8.301 11.651 9.452 555 HA GLN 76 HA GLN 76 7.223 10.359 11.764 556 HB2 GLN 76 2HB GLN 76 8.810 12.163 12.040 557 HB3 GLN 76 3HB GLN 76 7.764 13.269 11.160 558 HG2 GLN 76 2HG GLN 76 7.745 13.565 13.627 559 HG3 GLN 76 3HG GLN 76 6.160 13.276 12.912 560 HE21 GLN 76 1HE2 GLN 76 8.787 11.073 13.800 561 HE22 GLN 76 2HE2 GLN 76 7.843 10.102 14.874 562 H LYS 77 H LYS 77 5.975 12.610 9.342 563 HA LYS 77 HA LYS 77 3.404 12.840 10.604 564 HB2 LYS 77 2HB LYS 77 4.706 13.897 8.161 565 HB3 LYS 77 3HB LYS 77 2.954 13.753 8.107 566 HG2 LYS 77 2HG LYS 77 3.357 15.931 8.845 567 HG3 LYS 77 3HG LYS 77 2.941 15.032 10.307 568 HD2 LYS 77 2HD LYS 77 5.306 14.810 10.857 569 HD3 LYS 77 3HD LYS 77 5.742 15.666 9.376 570 HE2 LYS 77 2HE LYS 77 3.829 17.101 11.062 571 HE3 LYS 77 3HE LYS 77 5.389 16.819 11.833 572 HZ1 LYS 77 1HZ LYS 77 6.499 18.015 10.200 573 HZ2 LYS 77 2HZ LYS 77 5.099 18.928 10.455 574 HZ3 LYS 77 3HZ LYS 77 5.217 17.922 9.100 575 H ASP 78 H ASP 78 1.423 12.032 9.815 576 HA ASP 78 HA ASP 78 1.569 9.895 7.818 577 HB2 ASP 78 2HB ASP 78 1.533 9.309 10.508 578 HB3 ASP 78 3HB ASP 78 -0.173 9.228 10.079 579 H SER 79 H SER 79 -0.845 9.006 7.572 580 HA SER 79 HA SER 79 -2.320 11.115 6.440 581 HB2 SER 79 2HB SER 79 -3.885 8.727 7.131 582 HB3 SER 79 3HB SER 79 -3.590 9.466 5.557 583 HG SER 79 HG SER 79 -1.918 8.192 5.259 584 HA PRO 80 HA PRO 80 -4.808 12.716 9.678 585 HB2 PRO 80 2HB PRO 80 -7.208 13.066 8.457 586 HB3 PRO 80 3HB PRO 80 -5.799 14.079 8.116 587 HG2 PRO 80 2HG PRO 80 -6.876 11.749 6.575 588 HG3 PRO 80 3HG PRO 80 -6.270 13.304 5.975 589 HD2 PRO 80 2HD PRO 80 -4.776 11.046 5.936 590 HD3 PRO 80 3HD PRO 80 -4.065 12.657 6.155 591 H GLU 81 H GLU 81 -6.388 10.109 7.849 592 HA GLU 81 HA GLU 81 -8.234 9.454 9.916 593 HB2 GLU 81 2HB GLU 81 -7.458 8.334 7.291 594 HB3 GLU 81 3HB GLU 81 -8.133 7.189 8.441 595 HG2 GLU 81 2HG GLU 81 -9.819 9.399 8.561 596 HG3 GLU 81 3HG GLU 81 -9.452 9.193 6.849 597 H GLU 82 H GLU 82 -5.093 8.178 8.920 598 HA GLU 82 HA GLU 82 -5.020 5.947 10.615 599 HB2 GLU 82 2HB GLU 82 -3.150 7.420 8.952 600 HB3 GLU 82 3HB GLU 82 -2.386 6.839 10.425 601 HG2 GLU 82 2HG GLU 82 -3.361 4.570 9.869 602 HG3 GLU 82 3HG GLU 82 -3.743 5.237 8.282 603 H VAL 83 H VAL 83 -3.726 9.227 11.106 604 HA VAL 83 HA VAL 83 -2.751 8.799 13.707 605 HB VAL 83 HB VAL 83 -3.711 11.380 12.465 606 HG11 VAL 83 1HG1 VAL 83 -2.025 10.842 14.903 607 HG12 VAL 83 2HG1 VAL 83 -2.171 12.423 14.131 608 HG13 VAL 83 3HG1 VAL 83 -3.590 11.650 14.838 609 HG21 VAL 83 1HG2 VAL 83 -1.588 9.759 11.711 610 HG22 VAL 83 2HG2 VAL 83 -1.817 11.457 11.292 611 HG23 VAL 83 3HG2 VAL 83 -0.849 11.019 12.700 612 H LEU 84 H LEU 84 -5.914 9.767 12.510 613 HA LEU 84 HA LEU 84 -7.037 10.544 14.972 614 HB2 LEU 84 2HB LEU 84 -8.101 9.703 12.324 615 HB3 LEU 84 3HB LEU 84 -9.211 9.754 13.693 616 HG LEU 84 HG LEU 84 -7.558 12.108 12.793 617 HD11 LEU 84 1HD1 LEU 84 -10.275 11.172 11.962 618 HD12 LEU 84 2HD1 LEU 84 -8.953 11.786 10.971 619 HD13 LEU 84 3HD1 LEU 84 -9.881 12.891 11.985 620 HD21 LEU 84 1HD2 LEU 84 -8.163 12.614 14.939 621 HD22 LEU 84 2HD2 LEU 84 -9.624 11.628 14.880 622 HD23 LEU 84 3HD2 LEU 84 -9.585 13.196 14.074 623 H LYS 85 H LYS 85 -7.222 7.452 13.215 624 HA LYS 85 HA LYS 85 -8.717 6.074 15.151 625 HB2 LYS 85 2HB LYS 85 -8.543 5.179 12.933 626 HB3 LYS 85 3HB LYS 85 -6.790 5.092 13.044 627 HG2 LYS 85 2HG LYS 85 -8.001 3.586 15.170 628 HG3 LYS 85 3HG LYS 85 -8.637 3.075 13.605 629 HD2 LYS 85 2HD LYS 85 -5.730 3.484 13.676 630 HD3 LYS 85 3HD LYS 85 -6.316 2.176 14.707 631 HE2 LYS 85 2HE LYS 85 -7.097 2.466 11.814 632 HE3 LYS 85 3HE LYS 85 -5.693 1.540 12.340 633 HZ1 LYS 85 1HZ LYS 85 -7.513 0.468 13.902 634 HZ2 LYS 85 2HZ LYS 85 -7.233 -0.101 12.334 635 HZ3 LYS 85 3HZ LYS 85 -8.533 0.938 12.637 636 H ALA 86 H ALA 86 -5.223 6.397 14.687 637 HA ALA 86 HA ALA 86 -4.384 4.598 16.656 638 HB1 ALA 86 1HB ALA 86 -2.417 5.183 15.819 639 HB2 ALA 86 2HB ALA 86 -3.177 6.513 14.945 640 HB3 ALA 86 3HB ALA 86 -2.560 6.769 16.577 641 H PHE 87 H PHE 87 -5.036 8.085 16.871 642 HA PHE 87 HA PHE 87 -4.333 8.401 19.569 643 HB2 PHE 87 2HB PHE 87 -4.638 10.298 18.042 644 HB3 PHE 87 3HB PHE 87 -6.361 9.949 17.943 645 HD1 PHE 87 HD1 PHE 87 -7.845 10.468 19.779 646 HD2 PHE 87 HD2 PHE 87 -3.679 11.309 20.014 647 HE1 PHE 87 HE1 PHE 87 -8.251 11.919 21.724 648 HE2 PHE 87 HE2 PHE 87 -4.079 12.760 21.960 649 HZ PHE 87 HZ PHE 87 -6.367 13.066 22.818 650 H GLN 88 H GLN 88 -7.529 7.883 18.086 651 HA GLN 88 HA GLN 88 -9.059 7.858 20.395 652 HB2 GLN 88 2HB GLN 88 -9.493 7.354 17.695 653 HB3 GLN 88 3HB GLN 88 -9.941 5.849 18.487 654 HG2 GLN 88 2HG GLN 88 -11.538 6.974 19.867 655 HG3 GLN 88 3HG GLN 88 -11.000 8.548 19.283 656 HE21 GLN 88 1HE2 GLN 88 -12.134 9.421 17.707 657 HE22 GLN 88 2HE2 GLN 88 -13.189 8.582 16.627 658 H LEU 89 H LEU 89 -7.357 5.168 18.829 659 HA LEU 89 HA LEU 89 -8.221 3.141 20.565 660 HB2 LEU 89 2HB LEU 89 -7.119 2.756 18.395 661 HB3 LEU 89 3HB LEU 89 -5.604 3.339 19.081 662 HG LEU 89 HG LEU 89 -6.395 1.282 20.781 663 HD11 LEU 89 1HD1 LEU 89 -6.908 0.557 17.902 664 HD12 LEU 89 2HD1 LEU 89 -8.052 0.491 19.242 665 HD13 LEU 89 3HD1 LEU 89 -6.679 -0.615 19.201 666 HD21 LEU 89 1HD2 LEU 89 -4.117 1.770 20.172 667 HD22 LEU 89 2HD2 LEU 89 -4.430 1.325 18.494 668 HD23 LEU 89 3HD2 LEU 89 -4.479 0.095 19.757 669 H PHE 90 H PHE 90 -5.331 5.201 20.664 670 HA PHE 90 HA PHE 90 -4.123 4.073 22.911 671 HB2 PHE 90 2HB PHE 90 -3.649 6.269 21.227 672 HB3 PHE 90 3HB PHE 90 -3.746 6.938 22.852 673 HD1 PHE 90 HD1 PHE 90 -2.186 4.063 21.058 674 HD2 PHE 90 HD2 PHE 90 -1.819 7.025 24.092 675 HE1 PHE 90 HE1 PHE 90 0.121 3.327 21.492 676 HE2 PHE 90 HE2 PHE 90 0.489 6.295 24.530 677 HZ PHE 90 HZ PHE 90 1.462 4.445 23.229 678 H ASP 91 H ASP 91 -6.747 6.366 22.631 679 HA ASP 91 HA ASP 91 -7.437 5.962 25.403 680 HB2 ASP 91 2HB ASP 91 -7.585 8.536 25.713 681 HB3 ASP 91 3HB ASP 91 -6.021 7.747 25.900 682 H LEU 92 H LEU 92 -9.555 5.658 25.406 683 HA LEU 92 HA LEU 92 -11.236 6.131 23.230 684 HB2 LEU 92 2HB LEU 92 -13.087 5.705 24.808 685 HB3 LEU 92 3HB LEU 92 -11.804 4.499 24.888 686 HG LEU 92 HG LEU 92 -11.113 6.314 26.856 687 HD11 LEU 92 1HD1 LEU 92 -13.235 7.447 26.715 688 HD12 LEU 92 2HD1 LEU 92 -13.165 6.519 28.213 689 HD13 LEU 92 3HD1 LEU 92 -14.101 5.915 26.845 690 HD21 LEU 92 1HD2 LEU 92 -12.565 3.681 26.932 691 HD22 LEU 92 2HD2 LEU 92 -11.990 4.501 28.384 692 HD23 LEU 92 3HD2 LEU 92 -10.841 3.985 27.149 693 H ASP 93 H ASP 93 -10.458 8.128 26.005 694 HA ASP 93 HA ASP 93 -12.413 10.143 25.199 695 HB2 ASP 93 2HB ASP 93 -10.673 9.773 27.623 696 HB3 ASP 93 3HB ASP 93 -11.440 11.323 27.290 697 H LYS 94 H LYS 94 -11.594 12.476 25.336 698 HA LYS 94 HA LYS 94 -8.986 12.665 23.976 699 HB2 LYS 94 2HB LYS 94 -9.990 14.712 22.847 700 HB3 LYS 94 3HB LYS 94 -10.600 13.149 22.321 701 HG2 LYS 94 2HG LYS 94 -12.157 14.219 24.511 702 HG3 LYS 94 3HG LYS 94 -12.098 15.327 23.138 703 HD2 LYS 94 2HD LYS 94 -13.119 13.817 21.709 704 HD3 LYS 94 3HD LYS 94 -12.659 12.424 22.690 705 HE2 LYS 94 2HE LYS 94 -14.286 12.973 24.353 706 HE3 LYS 94 3HE LYS 94 -14.631 14.520 23.581 707 HZ1 LYS 94 1HZ LYS 94 -15.416 11.813 22.740 708 HZ2 LYS 94 2HZ LYS 94 -15.260 13.032 21.578 709 HZ3 LYS 94 3HZ LYS 94 -16.357 13.215 22.853 710 H LYS 95 H LYS 95 -8.204 12.934 26.224 711 HA LYS 95 HA LYS 95 -8.916 15.282 27.692 712 HB2 LYS 95 2HB LYS 95 -6.939 14.683 29.096 713 HB3 LYS 95 3HB LYS 95 -8.104 13.379 28.910 714 HG2 LYS 95 2HG LYS 95 -6.285 13.043 26.821 715 HG3 LYS 95 3HG LYS 95 -5.311 13.450 28.236 716 HD2 LYS 95 2HD LYS 95 -7.491 11.430 28.502 717 HD3 LYS 95 3HD LYS 95 -5.974 10.960 27.733 718 HE2 LYS 95 2HE LYS 95 -4.727 11.409 29.671 719 HE3 LYS 95 3HE LYS 95 -6.033 12.345 30.396 720 HZ1 LYS 95 1HZ LYS 95 -6.339 9.463 29.819 721 HZ2 LYS 95 2HZ LYS 95 -7.236 10.426 30.881 722 HZ3 LYS 95 3HZ LYS 95 -5.643 10.003 31.263 723 H GLY 96 H GLY 96 -6.416 14.439 25.378 724 HA2 GLY 96 2HA GLY 96 -5.001 15.783 24.161 725 HA3 GLY 96 3HA GLY 96 -5.902 17.167 24.764 726 H LYS 97 H LYS 97 -4.679 15.108 27.187 727 HA LYS 97 HA LYS 97 -2.477 17.002 27.687 728 HB2 LYS 97 2HB LYS 97 -3.900 15.333 29.761 729 HB3 LYS 97 3HB LYS 97 -2.771 16.652 30.039 730 HG2 LYS 97 2HG LYS 97 -4.645 17.947 28.615 731 HG3 LYS 97 3HG LYS 97 -5.643 16.717 29.394 732 HD2 LYS 97 2HD LYS 97 -3.713 18.490 30.882 733 HD3 LYS 97 3HD LYS 97 -5.422 18.873 30.664 734 HE2 LYS 97 2HE LYS 97 -4.717 16.198 31.749 735 HE3 LYS 97 3HE LYS 97 -4.524 17.594 32.808 736 HZ1 LYS 97 1HZ LYS 97 -6.722 16.531 32.985 737 HZ2 LYS 97 2HZ LYS 97 -7.030 16.916 31.368 738 HZ3 LYS 97 3HZ LYS 97 -6.821 18.150 32.505 739 H ILE 98 H ILE 98 -0.750 15.982 26.801 740 HA ILE 98 HA ILE 98 0.014 13.424 28.016 741 HB ILE 98 HB ILE 98 0.266 13.996 25.061 742 HG12 ILE 98 2HG1 ILE 98 -1.262 11.753 25.267 743 HG13 ILE 98 3HG1 ILE 98 -1.806 12.652 26.679 744 HG21 ILE 98 1HG2 ILE 98 2.009 12.584 25.371 745 HG22 ILE 98 2HG2 ILE 98 1.341 11.909 26.857 746 HG23 ILE 98 3HG2 ILE 98 0.730 11.372 25.292 747 HD11 ILE 98 1HD1 ILE 98 -3.219 13.641 25.277 748 HD12 ILE 98 2HD1 ILE 98 -1.821 14.559 24.718 749 HD13 ILE 98 3HD1 ILE 98 -2.325 13.106 23.855 750 H SER 99 H SER 99 2.019 13.469 28.788 751 HA SER 99 HA SER 99 3.639 15.763 28.641 752 HB2 SER 99 2HB SER 99 4.274 12.940 29.518 753 HB3 SER 99 3HB SER 99 5.384 14.296 29.710 754 HG SER 99 HG SER 99 4.310 14.296 31.581 755 H PHE 100 H PHE 100 5.269 16.353 27.330 756 HA PHE 100 HA PHE 100 5.539 15.278 24.778 757 HB2 PHE 100 2HB PHE 100 7.507 16.709 24.547 758 HB3 PHE 100 3HB PHE 100 6.214 17.571 25.375 759 HD1 PHE 100 HD1 PHE 100 6.405 18.161 27.709 760 HD2 PHE 100 HD2 PHE 100 9.525 16.067 25.710 761 HE1 PHE 100 HE1 PHE 100 7.937 18.682 29.562 762 HE2 PHE 100 HE2 PHE 100 11.062 16.584 27.560 763 HZ PHE 100 HZ PHE 100 10.269 17.892 29.490 764 H ALA 101 H ALA 101 7.323 14.608 27.731 765 HA ALA 101 HA ALA 101 9.454 13.157 26.642 766 HB1 ALA 101 1HB ALA 101 9.760 13.704 28.860 767 HB2 ALA 101 2HB ALA 101 8.131 13.207 29.318 768 HB3 ALA 101 3HB ALA 101 9.358 11.990 28.969 769 H ASN 102 H ASN 102 6.314 12.014 27.873 770 HA ASN 102 HA ASN 102 6.706 9.290 27.407 771 HB2 ASN 102 2HB ASN 102 4.499 11.026 28.090 772 HB3 ASN 102 3HB ASN 102 3.978 9.790 26.949 773 HD21 ASN 102 1HD2 ASN 102 5.716 10.246 29.988 774 HD22 ASN 102 2HD2 ASN 102 5.244 8.739 30.689 775 H LEU 103 H LEU 103 5.206 11.748 25.318 776 HA LEU 103 HA LEU 103 4.534 10.103 23.180 777 HB2 LEU 103 2HB LEU 103 4.015 12.591 23.613 778 HB3 LEU 103 3HB LEU 103 5.544 12.898 22.791 779 HG LEU 103 HG LEU 103 4.413 11.382 20.927 780 HD11 LEU 103 1HD1 LEU 103 2.198 11.133 21.012 781 HD12 LEU 103 2HD1 LEU 103 1.943 12.788 21.564 782 HD13 LEU 103 3HD1 LEU 103 2.344 11.523 22.726 783 HD21 LEU 103 1HD2 LEU 103 4.823 13.323 19.927 784 HD22 LEU 103 2HD2 LEU 103 4.646 14.211 21.441 785 HD23 LEU 103 3HD2 LEU 103 3.227 13.859 20.453 786 H LYS 104 H LYS 104 7.538 11.907 23.760 787 HA LYS 104 HA LYS 104 8.872 11.246 21.408 788 HB2 LYS 104 2HB LYS 104 9.490 12.774 23.523 789 HB3 LYS 104 3HB LYS 104 10.467 11.364 23.912 790 HG2 LYS 104 2HG LYS 104 10.672 12.359 21.144 791 HG3 LYS 104 3HG LYS 104 11.334 13.401 22.406 792 HD2 LYS 104 2HD LYS 104 12.004 10.497 22.441 793 HD3 LYS 104 3HD LYS 104 12.806 11.539 21.264 794 HE2 LYS 104 2HE LYS 104 12.707 12.555 24.031 795 HE3 LYS 104 3HE LYS 104 13.705 11.125 23.775 796 HZ1 LYS 104 1HZ LYS 104 15.245 12.636 23.219 797 HZ2 LYS 104 2HZ LYS 104 14.114 13.847 22.880 798 HZ3 LYS 104 3HZ LYS 104 14.455 12.661 21.723 799 H GLU 105 H GLU 105 9.065 9.616 24.575 800 HA GLU 105 HA GLU 105 10.765 7.552 23.880 801 HB2 GLU 105 2HB GLU 105 9.822 8.137 26.178 802 HB3 GLU 105 3HB GLU 105 8.411 7.189 25.727 803 HG2 GLU 105 2HG GLU 105 9.432 5.324 26.317 804 HG3 GLU 105 3HG GLU 105 10.752 5.657 25.196 805 H VAL 106 H VAL 106 7.206 7.561 23.745 806 HA VAL 106 HA VAL 106 6.830 4.994 22.755 807 HB VAL 106 HB VAL 106 5.173 7.432 22.092 808 HG11 VAL 106 1HG1 VAL 106 4.660 5.548 20.652 809 HG12 VAL 106 2HG1 VAL 106 4.489 4.494 22.057 810 HG13 VAL 106 3HG1 VAL 106 3.347 5.813 21.798 811 HG21 VAL 106 1HG2 VAL 106 4.488 7.466 24.204 812 HG22 VAL 106 2HG2 VAL 106 4.035 5.764 24.114 813 HG23 VAL 106 3HG2 VAL 106 5.672 6.216 24.589 814 H ALA 107 H ALA 107 7.476 8.008 21.020 815 HA ALA 107 HA ALA 107 7.125 7.030 18.412 816 HB1 ALA 107 1HB ALA 107 7.610 9.466 19.448 817 HB2 ALA 107 2HB ALA 107 9.206 9.082 18.800 818 HB3 ALA 107 3HB ALA 107 7.797 9.075 17.738 819 H LYS 108 H LYS 108 10.052 7.287 20.413 820 HA LYS 108 HA LYS 108 11.824 6.218 18.496 821 HB2 LYS 108 2HB LYS 108 12.036 6.214 21.513 822 HB3 LYS 108 3HB LYS 108 13.357 5.880 20.401 823 HG2 LYS 108 2HG LYS 108 11.850 8.481 20.588 824 HG3 LYS 108 3HG LYS 108 13.440 8.160 21.282 825 HD2 LYS 108 2HD LYS 108 14.178 7.566 18.920 826 HD3 LYS 108 3HD LYS 108 12.661 8.290 18.379 827 HE2 LYS 108 2HE LYS 108 14.230 9.923 20.255 828 HE3 LYS 108 3HE LYS 108 14.992 9.644 18.690 829 HZ1 LYS 108 1HZ LYS 108 12.259 10.735 19.092 830 HZ2 LYS 108 2HZ LYS 108 13.030 10.510 17.603 831 HZ3 LYS 108 3HZ LYS 108 13.628 11.650 18.701 832 H LEU 109 H LEU 109 9.676 4.746 20.817 833 HA LEU 109 HA LEU 109 10.802 2.163 20.857 834 HB2 LEU 109 2HB LEU 109 9.126 3.024 22.469 835 HB3 LEU 109 3HB LEU 109 7.907 2.929 21.200 836 HG LEU 109 HG LEU 109 9.250 0.391 21.576 837 HD11 LEU 109 1HD1 LEU 109 8.186 1.813 23.967 838 HD12 LEU 109 2HD1 LEU 109 9.561 0.719 23.824 839 HD13 LEU 109 3HD1 LEU 109 7.918 0.077 23.809 840 HD21 LEU 109 1HD2 LEU 109 6.369 1.207 21.931 841 HD22 LEU 109 2HD2 LEU 109 6.986 -0.424 21.664 842 HD23 LEU 109 3HD2 LEU 109 7.114 0.788 20.388 843 H LEU 110 H LEU 110 8.636 3.767 18.630 844 HA LEU 110 HA LEU 110 7.772 1.443 17.247 845 HB2 LEU 110 2HB LEU 110 7.913 4.322 16.366 846 HB3 LEU 110 3HB LEU 110 7.101 3.038 15.473 847 HG LEU 110 HG LEU 110 6.331 4.108 18.187 848 HD11 LEU 110 1HD1 LEU 110 5.498 5.676 16.753 849 HD12 LEU 110 2HD1 LEU 110 4.179 4.506 16.719 850 HD13 LEU 110 3HD1 LEU 110 5.360 4.541 15.411 851 HD21 LEU 110 1HD2 LEU 110 5.485 1.702 16.657 852 HD22 LEU 110 2HD2 LEU 110 4.261 2.600 17.555 853 HD23 LEU 110 3HD2 LEU 110 5.661 1.933 18.396 854 H GLY 111 H GLY 111 10.728 3.111 17.311 855 HA2 GLY 111 2HA GLY 111 12.704 2.363 16.289 856 HA3 GLY 111 3HA GLY 111 11.738 1.427 15.157 857 H GLU 112 H GLU 112 10.827 4.706 15.651 858 HA GLU 112 HA GLU 112 11.717 5.333 12.937 859 HB2 GLU 112 2HB GLU 112 9.314 5.697 13.845 860 HB3 GLU 112 3HB GLU 112 9.994 7.112 14.636 861 HG2 GLU 112 2HG GLU 112 9.230 8.038 12.699 862 HG3 GLU 112 3HG GLU 112 10.887 7.653 12.240 863 H ASN 113 H ASN 113 13.228 6.829 12.474 864 HA ASN 113 HA ASN 113 14.369 8.346 14.729 865 HB2 ASN 113 2HB ASN 113 15.802 6.474 13.765 866 HB3 ASN 113 3HB ASN 113 15.914 7.442 12.298 867 HD21 ASN 113 1HD2 ASN 113 17.731 8.519 12.176 868 HD22 ASN 113 2HD2 ASN 113 18.596 9.224 13.496 869 HA PRO 114 HA PRO 114 12.807 11.302 11.484 870 HB2 PRO 114 2HB PRO 114 11.514 12.923 13.236 871 HB3 PRO 114 3HB PRO 114 10.761 11.498 12.510 872 HG2 PRO 114 2HG PRO 114 12.001 11.814 15.216 873 HG3 PRO 114 3HG PRO 114 10.495 10.993 14.764 874 HD2 PRO 114 2HD PRO 114 12.800 9.652 15.236 875 HD3 PRO 114 3HD PRO 114 11.595 9.094 14.058 876 H GLY 115 H GLY 115 13.081 13.753 11.526 877 HA2 GLY 115 2HA GLY 115 15.772 14.329 12.351 878 HA3 GLY 115 3HA GLY 115 14.680 15.422 11.513 879 H ASP 116 H ASP 116 16.502 15.604 13.968 880 HA ASP 116 HA ASP 116 15.034 15.936 16.294 881 HB2 ASP 116 2HB ASP 116 17.598 17.003 15.254 882 HB3 ASP 116 3HB ASP 116 16.879 17.872 16.607 883 H ASP 117 H ASP 117 15.495 18.155 13.597 884 HA ASP 117 HA ASP 117 14.398 20.459 14.731 885 HB2 ASP 117 2HB ASP 117 14.072 21.246 12.459 886 HB3 ASP 117 3HB ASP 117 15.608 20.389 12.564 887 H VAL 118 H VAL 118 12.858 17.687 13.205 888 HA VAL 118 HA VAL 118 10.245 18.799 13.102 889 HB VAL 118 HB VAL 118 10.992 15.874 13.196 890 HG11 VAL 118 1HG1 VAL 118 8.600 16.441 13.580 891 HG12 VAL 118 2HG1 VAL 118 8.573 17.212 11.993 892 HG13 VAL 118 3HG1 VAL 118 8.880 15.480 12.129 893 HG21 VAL 118 1HG2 VAL 118 11.558 17.855 11.212 894 HG22 VAL 118 2HG2 VAL 118 11.948 16.135 11.207 895 HG23 VAL 118 3HG2 VAL 118 10.402 16.690 10.565 896 H LEU 119 H LEU 119 12.069 17.095 15.543 897 HA LEU 119 HA LEU 119 9.857 16.449 17.218 898 HB2 LEU 119 2HB LEU 119 12.425 15.659 17.135 899 HB3 LEU 119 3HB LEU 119 12.519 16.844 18.437 900 HG LEU 119 HG LEU 119 12.223 14.663 19.387 901 HD11 LEU 119 1HD1 LEU 119 10.897 16.727 20.218 902 HD12 LEU 119 2HD1 LEU 119 10.495 15.130 20.848 903 HD13 LEU 119 3HD1 LEU 119 9.492 15.861 19.595 904 HD21 LEU 119 1HD2 LEU 119 9.632 13.899 18.623 905 HD22 LEU 119 2HD2 LEU 119 11.153 13.086 18.250 906 HD23 LEU 119 3HD2 LEU 119 10.493 14.282 17.133 907 H GLN 120 H GLN 120 12.415 18.919 17.517 908 HA GLN 120 HA GLN 120 11.304 20.238 19.726 909 HB2 GLN 120 2HB GLN 120 12.958 21.569 17.585 910 HB3 GLN 120 3HB GLN 120 12.851 21.997 19.287 911 HG2 GLN 120 2HG GLN 120 14.265 19.688 18.016 912 HG3 GLN 120 3HG GLN 120 14.907 20.933 19.086 913 HE21 GLN 120 1HE2 GLN 120 14.615 17.854 19.076 914 HE22 GLN 120 2HE2 GLN 120 14.086 17.512 20.684 915 H GLU 121 H GLU 121 10.955 20.841 16.249 916 HA GLU 121 HA GLU 121 9.381 23.161 16.460 917 HB2 GLU 121 2HB GLU 121 9.693 21.090 14.299 918 HB3 GLU 121 3HB GLU 121 8.597 22.452 14.118 919 HG2 GLU 121 2HG GLU 121 11.513 22.782 14.752 920 HG3 GLU 121 3HG GLU 121 10.887 22.714 13.105 921 H MET 122 H MET 122 8.480 19.742 16.156 922 HA MET 122 HA MET 122 5.719 20.055 15.990 923 HB2 MET 122 2HB MET 122 6.767 17.915 15.574 924 HB3 MET 122 3HB MET 122 7.340 17.829 17.234 925 HG2 MET 122 2HG MET 122 5.177 17.474 18.076 926 HG3 MET 122 3HG MET 122 4.423 17.959 16.559 927 HE1 MET 122 1HE MET 122 4.989 15.619 14.098 928 HE2 MET 122 2HE MET 122 3.502 15.181 14.939 929 HE3 MET 122 3HE MET 122 3.975 16.875 14.809 930 H ILE 123 H ILE 123 7.685 19.432 18.901 931 HA ILE 123 HA ILE 123 5.605 19.601 20.758 932 HB ILE 123 HB ILE 123 8.514 20.314 21.154 933 HG12 ILE 123 2HG1 ILE 123 8.126 18.014 20.321 934 HG13 ILE 123 3HG1 ILE 123 8.765 18.030 21.962 935 HG21 ILE 123 1HG2 ILE 123 7.384 21.226 22.991 936 HG22 ILE 123 2HG2 ILE 123 6.257 19.873 23.081 937 HG23 ILE 123 3HG2 ILE 123 7.941 19.651 23.556 938 HD11 ILE 123 1HD1 ILE 123 5.881 17.626 21.205 939 HD12 ILE 123 2HD1 ILE 123 7.014 16.365 21.693 940 HD13 ILE 123 3HD1 ILE 123 6.537 17.615 22.842 941 H ALA 124 H ALA 124 7.650 22.108 19.355 942 HA ALA 124 HA ALA 124 6.911 24.234 21.022 943 HB1 ALA 124 1HB ALA 124 7.805 25.682 19.355 944 HB2 ALA 124 2HB ALA 124 8.795 24.222 19.373 945 HB3 ALA 124 3HB ALA 124 7.599 24.460 18.099 946 H GLU 125 H GLU 125 5.507 23.119 17.953 947 HA GLU 125 HA GLU 125 3.516 25.121 17.805 948 HB2 GLU 125 2HB GLU 125 3.945 22.468 16.492 949 HB3 GLU 125 3HB GLU 125 2.389 23.267 16.317 950 HG2 GLU 125 2HG GLU 125 5.020 24.550 15.628 951 HG3 GLU 125 3HG GLU 125 4.002 23.696 14.470 952 H ALA 126 H ALA 126 3.390 21.744 18.918 953 HA ALA 126 HA ALA 126 0.677 21.758 19.664 954 HB1 ALA 126 1HB ALA 126 2.122 19.981 21.351 955 HB2 ALA 126 2HB ALA 126 1.115 19.604 19.952 956 HB3 ALA 126 3HB ALA 126 2.836 19.929 19.739 957 H ASP 127 H ASP 127 3.518 22.979 21.223 958 HA ASP 127 HA ASP 127 2.523 23.048 23.880 959 HB2 ASP 127 2HB ASP 127 4.907 23.210 23.451 960 HB3 ASP 127 3HB ASP 127 4.672 24.695 22.533 961 H GLU 128 H GLU 128 2.132 25.109 21.110 962 HA GLU 128 HA GLU 128 1.309 27.460 22.436 963 HB2 GLU 128 2HB GLU 128 0.589 26.448 19.679 964 HB3 GLU 128 3HB GLU 128 0.305 28.083 20.261 965 HG2 GLU 128 2HG GLU 128 3.025 27.534 20.713 966 HG3 GLU 128 3HG GLU 128 2.654 26.965 19.086 967 H ASP 129 H ASP 129 -0.311 24.486 21.694 968 HA ASP 129 HA ASP 129 -2.981 25.366 21.840 969 HB2 ASP 129 2HB ASP 129 -1.955 23.061 21.111 970 HB3 ASP 129 3HB ASP 129 -2.186 22.646 22.807 971 H GLY 130 H GLY 130 -0.617 24.604 24.291 972 HA2 GLY 130 2HA GLY 130 -2.451 25.630 26.321 973 HA3 GLY 130 3HA GLY 130 -1.835 24.001 26.557 974 H ASP 131 H ASP 131 -0.501 24.214 28.256 975 HA ASP 131 HA ASP 131 1.779 26.039 27.932 976 HB2 ASP 131 2HB ASP 131 1.696 26.416 30.430 977 HB3 ASP 131 3HB ASP 131 0.395 27.170 29.512 978 H GLY 132 H GLY 132 3.109 24.337 27.305 979 HA2 GLY 132 2HA GLY 132 4.771 22.808 27.821 980 HA3 GLY 132 3HA GLY 132 4.198 22.796 29.482 981 H GLU 133 H GLU 133 1.891 22.235 26.984 982 HA GLU 133 HA GLU 133 1.986 19.343 27.543 983 HB2 GLU 133 2HB GLU 133 -0.246 21.262 27.773 984 HB3 GLU 133 3HB GLU 133 -0.638 19.747 26.973 985 HG2 GLU 133 2HG GLU 133 0.151 18.501 28.904 986 HG3 GLU 133 3HG GLU 133 0.596 20.007 29.706 987 H VAL 134 H VAL 134 1.489 17.953 25.852 988 HA VAL 134 HA VAL 134 1.604 19.188 23.190 989 HB VAL 134 HB VAL 134 2.175 16.333 23.999 990 HG11 VAL 134 1HG1 VAL 134 2.590 17.728 21.356 991 HG12 VAL 134 2HG1 VAL 134 3.039 16.064 21.737 992 HG13 VAL 134 3HG1 VAL 134 1.339 16.535 21.704 993 HG21 VAL 134 1HG2 VAL 134 4.506 16.866 23.657 994 HG22 VAL 134 2HG2 VAL 134 4.093 18.515 23.186 995 HG23 VAL 134 3HG2 VAL 134 3.820 17.977 24.843 996 H SER 135 H SER 135 -0.277 19.389 22.183 997 HA SER 135 HA SER 135 -2.319 17.301 22.585 998 HB2 SER 135 2HB SER 135 -3.080 19.421 23.491 999 HB3 SER 135 3HB SER 135 -2.687 20.245 21.982 1000 HG SER 135 HG SER 135 -4.291 18.998 20.960 1001 H PHE 136 H PHE 136 -2.014 15.970 20.882 1002 HA PHE 136 HA PHE 136 -1.138 16.653 18.337 1003 HB2 PHE 136 2HB PHE 136 -2.153 14.321 19.640 1004 HB3 PHE 136 3HB PHE 136 -2.953 14.478 18.080 1005 HD1 PHE 136 HD1 PHE 136 0.370 14.337 19.708 1006 HD2 PHE 136 HD2 PHE 136 -1.847 13.909 16.100 1007 HE1 PHE 136 HE1 PHE 136 2.357 13.397 18.602 1008 HE2 PHE 136 HE2 PHE 136 0.136 12.968 14.989 1009 HZ PHE 136 HZ PHE 136 2.241 12.710 16.240 1010 H GLU 137 H GLU 137 -4.278 16.962 19.776 1011 HA GLU 137 HA GLU 137 -5.943 17.033 17.570 1012 HB2 GLU 137 2HB GLU 137 -6.762 17.146 19.875 1013 HB3 GLU 137 3HB GLU 137 -6.078 18.756 20.050 1014 HG2 GLU 137 2HG GLU 137 -7.874 18.520 17.772 1015 HG3 GLU 137 3HG GLU 137 -8.650 18.168 19.315 1016 H GLU 138 H GLU 138 -3.772 19.508 18.804 1017 HA GLU 138 HA GLU 138 -4.689 21.650 17.225 1018 HB2 GLU 138 2HB GLU 138 -2.773 21.318 19.181 1019 HB3 GLU 138 3HB GLU 138 -1.812 21.660 17.749 1020 HG2 GLU 138 2HG GLU 138 -4.146 23.388 18.444 1021 HG3 GLU 138 3HG GLU 138 -2.597 23.605 19.257 1022 H PHE 139 H PHE 139 -1.953 19.425 16.721 1023 HA PHE 139 HA PHE 139 -1.112 20.399 14.259 1024 HB2 PHE 139 2HB PHE 139 -0.597 18.098 15.889 1025 HB3 PHE 139 3HB PHE 139 -0.771 17.586 14.214 1026 HD1 PHE 139 HD1 PHE 139 1.205 19.567 16.566 1027 HD2 PHE 139 HD2 PHE 139 0.808 18.280 12.529 1028 HE1 PHE 139 HE1 PHE 139 3.506 20.307 16.108 1029 HE2 PHE 139 HE2 PHE 139 3.109 19.017 12.064 1030 HZ PHE 139 HZ PHE 139 4.462 20.032 13.855 1031 H LYS 140 H LYS 140 -3.376 17.730 14.917 1032 HA LYS 140 HA LYS 140 -3.991 17.078 12.286 1033 HB2 LYS 140 2HB LYS 140 -4.736 16.093 14.672 1034 HB3 LYS 140 3HB LYS 140 -6.201 16.979 14.267 1035 HG2 LYS 140 2HG LYS 140 -6.717 14.974 13.343 1036 HG3 LYS 140 3HG LYS 140 -5.897 15.712 11.966 1037 HD2 LYS 140 2HD LYS 140 -4.287 14.167 13.944 1038 HD3 LYS 140 3HD LYS 140 -5.274 13.287 12.774 1039 HE2 LYS 140 2HE LYS 140 -3.466 13.479 11.454 1040 HE3 LYS 140 3HE LYS 140 -4.070 15.110 11.169 1041 HZ1 LYS 140 1HZ LYS 140 -1.810 14.223 12.802 1042 HZ2 LYS 140 2HZ LYS 140 -2.665 15.589 13.316 1043 HZ3 LYS 140 3HZ LYS 140 -1.945 15.569 11.785 1044 H SER 141 H SER 141 -5.501 19.469 14.425 1045 HA SER 141 HA SER 141 -7.590 20.255 12.758 1046 HB2 SER 141 2HB SER 141 -7.815 21.162 14.861 1047 HB3 SER 141 3HB SER 141 -6.097 21.532 15.003 1048 HG SER 141 HG SER 141 -6.375 23.353 13.848 1049 H VAL 142 H VAL 142 -4.330 21.654 13.062 1050 HA VAL 142 HA VAL 142 -4.590 23.645 11.127 1051 HB VAL 142 HB VAL 142 -2.097 22.101 11.859 1052 HG11 VAL 142 1HG1 VAL 142 -2.587 24.513 10.186 1053 HG12 VAL 142 2HG1 VAL 142 -1.127 24.452 11.175 1054 HG13 VAL 142 3HG1 VAL 142 -1.429 23.202 9.966 1055 HG21 VAL 142 1HG2 VAL 142 -3.382 23.271 13.716 1056 HG22 VAL 142 2HG2 VAL 142 -1.686 23.714 13.525 1057 HG23 VAL 142 3HG2 VAL 142 -2.950 24.782 12.916 1058 H MET 143 H MET 143 -3.566 20.269 10.803 1059 HA MET 143 HA MET 143 -2.818 20.330 8.113 1060 HB2 MET 143 2HB MET 143 -2.463 18.451 9.776 1061 HB3 MET 143 3HB MET 143 -4.135 17.987 9.486 1062 HG2 MET 143 2HG MET 143 -2.816 16.599 8.122 1063 HG3 MET 143 3HG MET 143 -3.544 17.795 7.051 1064 HE1 MET 143 1HE MET 143 0.746 16.751 7.529 1065 HE2 MET 143 2HE MET 143 -0.659 16.055 8.336 1066 HE3 MET 143 3HE MET 143 -0.496 15.929 6.584 1067 H MET 144 H MET 144 -5.966 19.529 9.570 1068 HA MET 144 HA MET 144 -7.338 19.007 7.191 1069 HB2 MET 144 2HB MET 144 -8.001 18.791 9.764 1070 HB3 MET 144 3HB MET 144 -8.798 20.321 9.427 1071 HG2 MET 144 2HG MET 144 -9.269 18.132 7.503 1072 HG3 MET 144 3HG MET 144 -9.975 17.949 9.108 1073 HE1 MET 144 1HE MET 144 -11.372 20.306 5.634 1074 HE2 MET 144 2HE MET 144 -10.129 19.065 5.792 1075 HE3 MET 144 3HE MET 144 -11.829 18.642 6.000 1076 H GLN 145 H GLN 145 -6.931 22.035 8.992 1077 HA GLN 145 HA GLN 145 -8.586 23.655 7.440 1078 HB2 GLN 145 2HB GLN 145 -7.220 24.105 9.660 1079 HB3 GLN 145 3HB GLN 145 -6.043 24.771 8.535 1080 HG2 GLN 145 2HG GLN 145 -7.285 26.584 8.103 1081 HG3 GLN 145 3HG GLN 145 -8.799 25.681 8.119 1082 HE21 GLN 145 1HE2 GLN 145 -6.748 27.764 9.827 1083 HE22 GLN 145 2HE2 GLN 145 -7.617 27.790 11.320 1084 H MET 146 H MET 146 -5.130 22.928 7.075 1085 HA MET 146 HA MET 146 -4.665 24.595 4.863 1086 HB2 MET 146 2HB MET 146 -3.270 22.009 5.572 1087 HB3 MET 146 3HB MET 146 -2.650 23.258 4.501 1088 HG2 MET 146 2HG MET 146 -3.342 24.379 7.053 1089 HG3 MET 146 3HG MET 146 -2.248 23.012 7.250 1090 HE1 MET 146 1HE MET 146 0.918 24.526 7.098 1091 HE2 MET 146 2HE MET 146 -0.213 25.356 8.166 1092 HE3 MET 146 3HE MET 146 -0.335 23.611 7.938 1093 H ARG 147 H ARG 147 -5.634 21.194 5.072 1094 HA ARG 147 HA ARG 147 -5.517 20.566 2.356 1095 HB2 ARG 147 2HB ARG 147 -6.999 19.488 4.705 1096 HB3 ARG 147 3HB ARG 147 -7.516 18.977 3.103 1097 HG2 ARG 147 2HG ARG 147 -4.630 18.816 3.830 1098 HG3 ARG 147 3HG ARG 147 -5.753 17.592 4.426 1099 HD2 ARG 147 2HD ARG 147 -5.980 18.234 1.563 1100 HD3 ARG 147 3HD ARG 147 -4.472 17.459 2.046 1101 HE ARG 147 HE ARG 147 -7.035 16.237 1.862 1102 HH11 ARG 147 1HH1 ARG 147 -4.049 16.193 3.651 1103 HH12 ARG 147 2HH1 ARG 147 -4.202 14.531 4.118 1104 HH21 ARG 147 1HH2 ARG 147 -7.247 14.049 2.469 1105 HH22 ARG 147 2HH2 ARG 147 -6.021 13.312 3.444 1106 H GLY 148 H GLY 148 -8.234 21.828 4.278 1107 HA2 GLY 148 2HA GLY 148 -10.075 21.920 2.128 1108 HA3 GLY 148 3HA GLY 148 -10.216 22.800 3.642 1109 H LYS 149 H LYS 149 -8.364 24.608 3.733 1110 HA LYS 149 HA LYS 149 -9.123 26.556 1.859 1111 HB2 LYS 149 2HB LYS 149 -7.506 27.982 2.895 1112 HB3 LYS 149 3HB LYS 149 -8.223 26.991 4.158 1113 HG2 LYS 149 2HG LYS 149 -6.083 26.707 4.772 1114 HG3 LYS 149 3HG LYS 149 -6.105 25.463 3.520 1115 HD2 LYS 149 2HD LYS 149 -4.188 26.710 3.042 1116 HD3 LYS 149 3HD LYS 149 -5.395 27.345 1.921 1117 HE2 LYS 149 2HE LYS 149 -5.858 29.122 3.686 1118 HE3 LYS 149 3HE LYS 149 -4.374 28.578 4.466 1119 HZ1 LYS 149 1HZ LYS 149 -3.096 29.234 2.632 1120 HZ2 LYS 149 2HZ LYS 149 -4.176 30.513 2.881 1121 HZ3 LYS 149 3HZ LYS 149 -4.446 29.410 1.627 Start of MODEL 11 1 H1 MET 1 H MET 1 2.109 -0.656 0.174 2 HA MET 1 HA MET 1 3.211 -1.334 -1.872 3 HB2 MET 1 2HB MET 1 0.786 -1.737 -2.805 4 HB3 MET 1 3HB MET 1 0.976 -0.107 -3.437 5 HG2 MET 1 2HG MET 1 3.248 -1.869 -3.966 6 HG3 MET 1 3HG MET 1 1.736 -2.388 -4.707 7 HE1 MET 1 1HE MET 1 0.953 -0.067 -7.403 8 HE2 MET 1 2HE MET 1 0.428 -1.299 -6.255 9 HE3 MET 1 3HE MET 1 0.250 0.410 -5.857 10 H ALA 2 H ALA 2 1.111 1.539 -2.171 11 HA ALA 2 HA ALA 2 3.536 3.204 -2.175 12 HB1 ALA 2 1HB ALA 2 3.038 3.204 -4.443 13 HB2 ALA 2 2HB ALA 2 1.297 3.207 -4.162 14 HB3 ALA 2 3HB ALA 2 2.241 4.666 -3.862 15 H ALA 3 H ALA 3 3.406 5.091 -1.056 16 HA ALA 3 HA ALA 3 0.870 5.603 0.349 17 HB1 ALA 3 1HB ALA 3 3.548 6.628 1.232 18 HB2 ALA 3 2HB ALA 3 2.075 6.419 2.179 19 HB3 ALA 3 3HB ALA 3 2.991 5.008 1.650 20 H LEU 4 H LEU 4 0.227 7.797 0.704 21 HA LEU 4 HA LEU 4 0.257 9.416 -1.539 22 HB2 LEU 4 2HB LEU 4 -0.491 11.237 0.028 23 HB3 LEU 4 3HB LEU 4 -1.441 9.753 0.056 24 HG LEU 4 HG LEU 4 0.423 9.382 2.070 25 HD11 LEU 4 1HD1 LEU 4 -0.245 12.258 1.764 26 HD12 LEU 4 2HD1 LEU 4 1.219 11.493 2.381 27 HD13 LEU 4 3HD1 LEU 4 -0.223 11.579 3.392 28 HD21 LEU 4 1HD2 LEU 4 -2.376 10.470 2.336 29 HD22 LEU 4 2HD2 LEU 4 -1.475 9.553 3.543 30 HD23 LEU 4 3HD2 LEU 4 -1.978 8.778 2.040 31 H THR 5 H THR 5 2.349 9.508 1.306 32 HA THR 5 HA THR 5 3.690 11.882 0.891 33 HB THR 5 HB THR 5 5.625 10.851 2.053 34 HG1 THR 5 HG1 THR 5 4.108 8.467 2.226 35 HG21 THR 5 1HG2 THR 5 2.985 10.087 3.304 36 HG22 THR 5 2HG2 THR 5 3.652 11.720 3.295 37 HG23 THR 5 3HG2 THR 5 4.499 10.426 4.143 38 H ASP 6 H ASP 6 4.373 8.704 -0.526 39 HA ASP 6 HA ASP 6 6.717 9.360 -1.888 40 HB2 ASP 6 2HB ASP 6 4.801 7.191 -1.892 41 HB3 ASP 6 3HB ASP 6 5.357 7.538 -3.527 42 H GLU 7 H GLU 7 3.339 9.547 -2.969 43 HA GLU 7 HA GLU 7 3.884 10.457 -5.575 44 HB2 GLU 7 2HB GLU 7 1.713 9.565 -5.040 45 HB3 GLU 7 3HB GLU 7 1.452 10.803 -3.820 46 HG2 GLU 7 2HG GLU 7 2.006 11.942 -6.425 47 HG3 GLU 7 3HG GLU 7 0.607 10.869 -6.446 48 H GLN 8 H GLN 8 3.531 12.132 -2.514 49 HA GLN 8 HA GLN 8 3.311 14.753 -3.525 50 HB2 GLN 8 2HB GLN 8 3.658 13.488 -0.946 51 HB3 GLN 8 3HB GLN 8 4.647 14.937 -1.072 52 HG2 GLN 8 2HG GLN 8 1.974 15.374 -2.083 53 HG3 GLN 8 3HG GLN 8 1.963 14.805 -0.415 54 HE21 GLN 8 1HE2 GLN 8 1.360 17.444 -1.669 55 HE22 GLN 8 2HE2 GLN 8 2.337 18.577 -0.805 56 H ILE 9 H ILE 9 6.152 13.052 -2.199 57 HA ILE 9 HA ILE 9 8.016 15.054 -2.830 58 HB ILE 9 HB ILE 9 9.731 13.260 -2.623 59 HG12 ILE 9 2HG1 ILE 9 7.313 11.486 -2.217 60 HG13 ILE 9 3HG1 ILE 9 8.424 11.416 -3.581 61 HG21 ILE 9 1HG2 ILE 9 9.637 13.443 -0.392 62 HG22 ILE 9 2HG2 ILE 9 8.201 14.422 -0.690 63 HG23 ILE 9 3HG2 ILE 9 8.036 12.709 -0.303 64 HD11 ILE 9 1HD1 ILE 9 8.801 10.516 -0.776 65 HD12 ILE 9 2HD1 ILE 9 9.220 9.715 -2.291 66 HD13 ILE 9 3HD1 ILE 9 10.207 11.050 -1.696 67 H ARG 10 H ARG 10 6.718 12.392 -4.705 68 HA ARG 10 HA ARG 10 8.605 12.431 -6.800 69 HB2 ARG 10 2HB ARG 10 7.100 10.550 -6.492 70 HB3 ARG 10 3HB ARG 10 5.706 11.578 -6.793 71 HG2 ARG 10 2HG ARG 10 6.180 10.250 -8.743 72 HG3 ARG 10 3HG ARG 10 6.505 11.950 -9.090 73 HD2 ARG 10 2HD ARG 10 8.922 11.471 -8.540 74 HD3 ARG 10 3HD ARG 10 8.493 9.761 -8.526 75 HE ARG 10 HE ARG 10 7.622 10.916 -10.936 76 HH11 ARG 10 1HH1 ARG 10 10.554 10.022 -9.286 77 HH12 ARG 10 2HH1 ARG 10 11.446 9.747 -10.746 78 HH21 ARG 10 1HH2 ARG 10 8.786 10.557 -12.865 79 HH22 ARG 10 2HH2 ARG 10 10.439 10.052 -12.781 80 H GLU 11 H GLU 11 5.440 14.013 -6.451 81 HA GLU 11 HA GLU 11 5.495 15.305 -8.966 82 HB2 GLU 11 2HB GLU 11 3.962 15.856 -6.428 83 HB3 GLU 11 3HB GLU 11 3.747 16.811 -7.888 84 HG2 GLU 11 2HG GLU 11 3.210 14.658 -9.078 85 HG3 GLU 11 3HG GLU 11 3.161 13.894 -7.491 86 H ALA 12 H ALA 12 6.576 16.254 -5.749 87 HA ALA 12 HA ALA 12 7.110 18.958 -6.289 88 HB1 ALA 12 1HB ALA 12 7.583 17.100 -4.147 89 HB2 ALA 12 2HB ALA 12 9.000 18.119 -4.404 90 HB3 ALA 12 3HB ALA 12 7.428 18.857 -4.094 91 H PHE 13 H PHE 13 9.356 16.184 -6.225 92 HA PHE 13 HA PHE 13 11.599 17.587 -7.148 93 HB2 PHE 13 2HB PHE 13 11.838 15.418 -6.101 94 HB3 PHE 13 3HB PHE 13 10.900 14.655 -7.380 95 HD1 PHE 13 HD1 PHE 13 12.082 13.485 -8.950 96 HD2 PHE 13 HD2 PHE 13 13.918 16.831 -7.065 97 HE1 PHE 13 HE1 PHE 13 14.150 13.057 -10.212 98 HE2 PHE 13 HE2 PHE 13 15.989 16.408 -8.325 99 HZ PHE 13 HZ PHE 13 16.107 14.520 -9.901 100 H ASN 14 H ASN 14 8.914 16.136 -8.838 101 HA ASN 14 HA ASN 14 10.063 16.087 -11.423 102 HB2 ASN 14 2HB ASN 14 7.967 14.873 -10.651 103 HB3 ASN 14 3HB ASN 14 7.125 16.412 -10.811 104 HD21 ASN 14 1HD2 ASN 14 9.314 14.323 -12.664 105 HD22 ASN 14 2HD2 ASN 14 8.503 14.529 -14.176 106 H LEU 15 H LEU 15 7.929 18.440 -9.822 107 HA LEU 15 HA LEU 15 7.842 20.266 -11.970 108 HB2 LEU 15 2HB LEU 15 6.779 20.069 -9.362 109 HB3 LEU 15 3HB LEU 15 7.608 21.621 -9.463 110 HG LEU 15 HG LEU 15 5.275 21.909 -9.991 111 HD11 LEU 15 1HD1 LEU 15 6.699 22.042 -12.626 112 HD12 LEU 15 2HD1 LEU 15 7.128 23.109 -11.290 113 HD13 LEU 15 3HD1 LEU 15 5.496 23.145 -11.957 114 HD21 LEU 15 1HD2 LEU 15 4.314 20.019 -10.776 115 HD22 LEU 15 2HD2 LEU 15 5.751 19.526 -11.671 116 HD23 LEU 15 3HD2 LEU 15 4.675 20.755 -12.337 117 H PHE 16 H PHE 16 9.847 20.175 -9.036 118 HA PHE 16 HA PHE 16 11.275 22.528 -9.458 119 HB2 PHE 16 2HB PHE 16 12.011 19.959 -8.062 120 HB3 PHE 16 3HB PHE 16 13.087 21.352 -8.088 121 HD1 PHE 16 HD1 PHE 16 11.206 19.750 -5.916 122 HD2 PHE 16 HD2 PHE 16 11.305 23.600 -7.729 123 HE1 PHE 16 HE1 PHE 16 10.024 20.690 -3.974 124 HE2 PHE 16 HE2 PHE 16 10.124 24.547 -5.789 125 HZ PHE 16 HZ PHE 16 9.482 23.092 -3.908 126 H ASP 17 H ASP 17 12.002 19.223 -10.527 127 HA ASP 17 HA ASP 17 14.435 19.901 -11.827 128 HB2 ASP 17 2HB ASP 17 14.203 17.631 -11.249 129 HB3 ASP 17 3HB ASP 17 12.595 17.524 -11.959 130 H ALA 18 H ALA 18 11.098 20.045 -12.746 131 HA ALA 18 HA ALA 18 11.249 19.954 -15.514 132 HB1 ALA 18 1HB ALA 18 9.145 21.011 -15.561 133 HB2 ALA 18 2HB ALA 18 9.177 20.089 -14.058 134 HB3 ALA 18 3HB ALA 18 9.435 21.834 -14.028 135 H ASP 19 H ASP 19 12.263 22.438 -13.315 136 HA ASP 19 HA ASP 19 12.265 24.686 -14.938 137 HB2 ASP 19 2HB ASP 19 12.993 24.300 -12.421 138 HB3 ASP 19 3HB ASP 19 14.601 24.213 -13.137 139 H GLY 20 H GLY 20 14.362 21.905 -14.978 140 HA2 GLY 20 2HA GLY 20 15.723 21.224 -16.744 141 HA3 GLY 20 3HA GLY 20 15.500 22.799 -17.492 142 H SER 21 H SER 21 16.489 22.549 -14.170 143 HA SER 21 HA SER 21 19.157 23.521 -14.952 144 HB2 SER 21 2HB SER 21 17.237 24.572 -13.130 145 HB3 SER 21 3HB SER 21 18.629 24.033 -12.191 146 HG SER 21 HG SER 21 19.851 25.231 -13.942 147 H GLY 22 H GLY 22 20.971 22.871 -13.636 148 HA2 GLY 22 2HA GLY 22 20.952 20.079 -13.077 149 HA3 GLY 22 3HA GLY 22 22.284 21.186 -12.781 150 H ALA 23 H ALA 23 20.531 22.922 -11.110 151 HA ALA 23 HA ALA 23 19.903 21.228 -8.830 152 HB1 ALA 23 1HB ALA 23 21.893 21.533 -7.871 153 HB2 ALA 23 2HB ALA 23 22.345 22.795 -9.018 154 HB3 ALA 23 3HB ALA 23 21.380 23.199 -7.598 155 H ILE 24 H ILE 24 18.882 22.465 -7.058 156 HA ILE 24 HA ILE 24 17.484 24.840 -8.104 157 HB ILE 24 HB ILE 24 16.412 22.921 -6.037 158 HG12 ILE 24 2HG1 ILE 24 14.839 22.573 -8.236 159 HG13 ILE 24 3HG1 ILE 24 16.415 22.809 -8.985 160 HG21 ILE 24 1HG2 ILE 24 15.009 25.030 -7.671 161 HG22 ILE 24 2HG2 ILE 24 14.308 24.036 -6.395 162 HG23 ILE 24 3HG2 ILE 24 15.537 25.238 -6.001 163 HD11 ILE 24 1HD1 ILE 24 17.281 20.889 -8.077 164 HD12 ILE 24 2HD1 ILE 24 16.137 20.879 -6.734 165 HD13 ILE 24 3HD1 ILE 24 15.602 20.425 -8.352 166 H ASP 25 H ASP 25 17.768 26.679 -7.035 167 HA ASP 25 HA ASP 25 19.166 26.621 -4.473 168 HB2 ASP 25 2HB ASP 25 18.524 28.898 -6.358 169 HB3 ASP 25 3HB ASP 25 19.398 29.081 -4.840 170 H ALA 26 H ALA 26 18.442 28.699 -3.084 171 HA ALA 26 HA ALA 26 15.937 28.011 -1.979 172 HB1 ALA 26 1HB ALA 26 17.589 30.497 -1.545 173 HB2 ALA 26 2HB ALA 26 16.255 29.952 -0.527 174 HB3 ALA 26 3HB ALA 26 17.726 28.987 -0.643 175 H GLU 27 H GLU 27 16.973 30.783 -3.949 176 HA GLU 27 HA GLU 27 14.548 32.162 -3.978 177 HB2 GLU 27 2HB GLU 27 15.389 33.183 -6.095 178 HB3 GLU 27 3HB GLU 27 16.546 33.230 -4.772 179 HG2 GLU 27 2HG GLU 27 17.641 31.221 -5.738 180 HG3 GLU 27 3HG GLU 27 16.551 31.347 -7.118 181 H GLU 28 H GLU 28 15.762 29.626 -6.133 182 HA GLU 28 HA GLU 28 13.630 29.661 -7.962 183 HB2 GLU 28 2HB GLU 28 15.996 28.265 -7.711 184 HB3 GLU 28 3HB GLU 28 14.781 27.014 -7.492 185 HG2 GLU 28 2HG GLU 28 15.345 27.089 -9.796 186 HG3 GLU 28 3HG GLU 28 13.724 27.759 -9.617 187 H MET 29 H MET 29 14.167 27.672 -5.065 188 HA MET 29 HA MET 29 11.876 26.104 -5.220 189 HB2 MET 29 2HB MET 29 13.929 26.601 -3.321 190 HB3 MET 29 3HB MET 29 12.390 26.726 -2.479 191 HG2 MET 29 2HG MET 29 11.810 24.525 -2.951 192 HG3 MET 29 3HG MET 29 12.982 24.400 -4.261 193 HE1 MET 29 1HE MET 29 12.603 25.325 -0.653 194 HE2 MET 29 2HE MET 29 12.605 23.603 -0.269 195 HE3 MET 29 3HE MET 29 13.978 24.611 0.190 196 H ALA 30 H ALA 30 12.345 29.236 -3.608 197 HA ALA 30 HA ALA 30 9.759 29.485 -2.555 198 HB1 ALA 30 1HB ALA 30 10.713 32.067 -3.224 199 HB2 ALA 30 2HB ALA 30 10.715 31.268 -1.651 200 HB3 ALA 30 3HB ALA 30 12.098 31.091 -2.731 201 H LEU 31 H LEU 31 11.115 30.598 -5.642 202 HA LEU 31 HA LEU 31 8.907 31.980 -6.607 203 HB2 LEU 31 2HB LEU 31 11.388 31.328 -7.560 204 HB3 LEU 31 3HB LEU 31 10.327 30.415 -8.631 205 HG LEU 31 HG LEU 31 10.887 32.549 -9.622 206 HD11 LEU 31 1HD1 LEU 31 8.492 31.494 -9.656 207 HD12 LEU 31 2HD1 LEU 31 8.779 33.093 -10.344 208 HD13 LEU 31 3HD1 LEU 31 8.069 32.939 -8.737 209 HD21 LEU 31 1HD2 LEU 31 10.645 33.494 -6.969 210 HD22 LEU 31 2HD2 LEU 31 9.441 34.340 -7.942 211 HD23 LEU 31 3HD2 LEU 31 11.142 34.387 -8.407 212 H ALA 32 H ALA 32 9.743 28.549 -7.030 213 HA ALA 32 HA ALA 32 7.528 27.834 -8.588 214 HB1 ALA 32 1HB ALA 32 9.581 26.457 -8.227 215 HB2 ALA 32 2HB ALA 32 8.956 26.044 -6.630 216 HB3 ALA 32 3HB ALA 32 8.067 25.565 -8.076 217 H MET 33 H MET 33 8.002 27.672 -5.065 218 HA MET 33 HA MET 33 5.575 26.531 -4.362 219 HB2 MET 33 2HB MET 33 7.508 28.333 -2.979 220 HB3 MET 33 3HB MET 33 5.938 28.070 -2.233 221 HG2 MET 33 2HG MET 33 6.319 25.713 -2.109 222 HG3 MET 33 3HG MET 33 7.803 25.857 -3.048 223 HE1 MET 33 1HE MET 33 9.838 25.852 -2.264 224 HE2 MET 33 2HE MET 33 10.078 27.519 -1.742 225 HE3 MET 33 3HE MET 33 10.450 26.189 -0.645 226 H LYS 34 H LYS 34 6.374 29.936 -4.913 227 HA LYS 34 HA LYS 34 3.871 30.996 -4.167 228 HB2 LYS 34 2HB LYS 34 5.792 32.440 -4.336 229 HB3 LYS 34 3HB LYS 34 6.000 32.044 -6.037 230 HG2 LYS 34 2HG LYS 34 3.823 33.118 -6.510 231 HG3 LYS 34 3HG LYS 34 3.731 33.600 -4.814 232 HD2 LYS 34 2HD LYS 34 5.998 34.349 -6.655 233 HD3 LYS 34 3HD LYS 34 4.589 35.372 -6.362 234 HE2 LYS 34 2HE LYS 34 5.703 34.486 -3.869 235 HE3 LYS 34 3HE LYS 34 6.959 35.226 -4.859 236 HZ1 LYS 34 1HZ LYS 34 6.160 37.196 -4.298 237 HZ2 LYS 34 2HZ LYS 34 4.913 36.485 -3.404 238 HZ3 LYS 34 3HZ LYS 34 4.688 36.829 -5.045 239 H GLY 35 H GLY 35 5.194 30.188 -7.377 240 HA2 GLY 35 2HA GLY 35 2.993 30.900 -8.916 241 HA3 GLY 35 3HA GLY 35 4.142 29.641 -9.343 242 H LEU 36 H LEU 36 3.604 27.895 -7.163 243 HA LEU 36 HA LEU 36 1.243 26.616 -8.197 244 HB2 LEU 36 2HB LEU 36 3.192 25.895 -6.022 245 HB3 LEU 36 3HB LEU 36 1.789 24.905 -6.416 246 HG LEU 36 HG LEU 36 3.590 25.556 -8.665 247 HD11 LEU 36 1HD1 LEU 36 4.477 24.088 -6.241 248 HD12 LEU 36 2HD1 LEU 36 5.399 25.090 -7.360 249 HD13 LEU 36 3HD1 LEU 36 4.940 23.451 -7.819 250 HD21 LEU 36 1HD2 LEU 36 1.493 23.821 -8.175 251 HD22 LEU 36 2HD2 LEU 36 2.918 22.782 -8.144 252 HD23 LEU 36 3HD2 LEU 36 2.584 23.781 -9.559 253 H GLY 37 H GLY 37 2.052 28.607 -5.478 254 HA2 GLY 37 2HA GLY 37 0.720 29.571 -3.872 255 HA3 GLY 37 3HA GLY 37 -0.669 29.015 -4.795 256 H PHE 38 H PHE 38 1.681 26.705 -3.738 257 HA PHE 38 HA PHE 38 -0.031 25.931 -1.481 258 HB2 PHE 38 2HB PHE 38 0.072 24.549 -3.912 259 HB3 PHE 38 3HB PHE 38 1.082 23.612 -2.815 260 HD1 PHE 38 HD1 PHE 38 -2.292 24.694 -3.612 261 HD2 PHE 38 HD2 PHE 38 0.129 22.624 -0.789 262 HE1 PHE 38 HE1 PHE 38 -4.310 23.695 -2.619 263 HE2 PHE 38 HE2 PHE 38 -1.884 21.620 0.207 264 HZ PHE 38 HZ PHE 38 -4.107 22.155 -0.708 265 H GLY 39 H GLY 39 1.023 25.089 0.278 266 HA2 GLY 39 2HA GLY 39 2.771 24.599 1.683 267 HA3 GLY 39 3HA GLY 39 3.649 24.059 0.260 268 H ASP 40 H ASP 40 2.416 27.283 1.089 269 HA ASP 40 HA ASP 40 4.966 28.451 0.405 270 HB2 ASP 40 2HB ASP 40 2.838 29.549 -0.216 271 HB3 ASP 40 3HB ASP 40 2.465 29.763 1.492 272 H LEU 41 H LEU 41 6.563 28.251 1.843 273 HA LEU 41 HA LEU 41 5.950 28.616 4.694 274 HB2 LEU 41 2HB LEU 41 8.088 27.152 3.213 275 HB3 LEU 41 3HB LEU 41 8.401 27.715 4.854 276 HG LEU 41 HG LEU 41 7.715 25.363 4.794 277 HD11 LEU 41 1HD1 LEU 41 5.966 25.500 6.487 278 HD12 LEU 41 2HD1 LEU 41 5.668 27.183 6.054 279 HD13 LEU 41 3HD1 LEU 41 7.214 26.716 6.762 280 HD21 LEU 41 1HD2 LEU 41 4.968 26.215 3.971 281 HD22 LEU 41 2HD2 LEU 41 5.696 24.609 3.949 282 HD23 LEU 41 3HD2 LEU 41 6.181 25.814 2.755 283 HA PRO 42 HA PRO 42 8.129 32.416 4.952 284 HB2 PRO 42 2HB PRO 42 9.376 32.201 7.354 285 HB3 PRO 42 3HB PRO 42 7.631 32.435 7.195 286 HG2 PRO 42 2HG PRO 42 9.166 29.914 7.691 287 HG3 PRO 42 3HG PRO 42 7.664 30.477 8.448 288 HD2 PRO 42 2HD PRO 42 7.694 28.632 6.466 289 HD3 PRO 42 3HD PRO 42 6.364 29.790 6.673 290 H ARG 43 H ARG 43 10.287 33.413 5.188 291 HA ARG 43 HA ARG 43 12.212 32.129 3.613 292 HB2 ARG 43 2HB ARG 43 13.725 33.974 4.333 293 HB3 ARG 43 3HB ARG 43 12.163 34.530 3.747 294 HG2 ARG 43 2HG ARG 43 12.079 35.760 5.597 295 HG3 ARG 43 3HG ARG 43 11.741 34.250 6.447 296 HD2 ARG 43 2HD ARG 43 14.290 33.986 6.578 297 HD3 ARG 43 3HD ARG 43 14.355 35.693 6.141 298 HE ARG 43 HE ARG 43 12.611 35.205 8.349 299 HH11 ARG 43 1HH1 ARG 43 15.944 35.624 7.433 300 HH12 ARG 43 2HH1 ARG 43 16.437 36.190 8.994 301 HH21 ARG 43 1HH2 ARG 43 13.249 35.949 10.409 302 HH22 ARG 43 2HH2 ARG 43 14.904 36.374 10.686 303 H ASP 44 H ASP 44 11.886 32.417 7.111 304 HA ASP 44 HA ASP 44 14.378 31.424 7.876 305 HB2 ASP 44 2HB ASP 44 13.403 30.995 10.026 306 HB3 ASP 44 3HB ASP 44 12.663 32.461 9.389 307 H GLU 45 H GLU 45 11.422 29.740 6.958 308 HA GLU 45 HA GLU 45 12.282 27.143 7.688 309 HB2 GLU 45 2HB GLU 45 9.906 28.114 7.004 310 HB3 GLU 45 3HB GLU 45 10.386 27.523 5.419 311 HG2 GLU 45 2HG GLU 45 10.697 25.673 7.708 312 HG3 GLU 45 3HG GLU 45 9.059 26.031 7.165 313 H VAL 46 H VAL 46 12.629 29.073 4.776 314 HA VAL 46 HA VAL 46 13.573 26.992 3.095 315 HB VAL 46 HB VAL 46 14.154 29.946 2.852 316 HG11 VAL 46 1HG1 VAL 46 14.313 27.633 0.943 317 HG12 VAL 46 2HG1 VAL 46 14.195 29.303 0.386 318 HG13 VAL 46 3HG1 VAL 46 15.567 28.795 1.371 319 HG21 VAL 46 1HG2 VAL 46 11.864 29.978 2.847 320 HG22 VAL 46 2HG2 VAL 46 12.172 29.650 1.142 321 HG23 VAL 46 3HG2 VAL 46 11.731 28.332 2.228 322 H GLU 47 H GLU 47 15.276 29.555 4.892 323 HA GLU 47 HA GLU 47 17.875 28.740 4.195 324 HB2 GLU 47 2HB GLU 47 18.593 30.090 6.154 325 HB3 GLU 47 3HB GLU 47 17.491 30.946 5.085 326 HG2 GLU 47 2HG GLU 47 15.640 30.448 6.616 327 HG3 GLU 47 3HG GLU 47 16.772 29.638 7.698 328 H ARG 48 H ARG 48 15.761 27.846 6.873 329 HA ARG 48 HA ARG 48 17.666 26.367 8.341 330 HB2 ARG 48 2HB ARG 48 15.548 27.136 9.313 331 HB3 ARG 48 3HB ARG 48 14.659 26.062 8.241 332 HG2 ARG 48 2HG ARG 48 16.051 24.187 9.338 333 HG3 ARG 48 3HG ARG 48 16.367 25.383 10.597 334 HD2 ARG 48 2HD ARG 48 13.555 25.010 9.730 335 HD3 ARG 48 3HD ARG 48 14.288 23.724 10.689 336 HE ARG 48 HE ARG 48 14.862 26.041 12.037 337 HH11 ARG 48 1HH1 ARG 48 11.971 24.429 10.960 338 HH12 ARG 48 2HH1 ARG 48 10.993 25.037 12.254 339 HH21 ARG 48 1HH2 ARG 48 13.585 26.849 13.746 340 HH22 ARG 48 2HH2 ARG 48 11.912 26.414 13.838 341 H THR 49 H THR 49 15.267 25.395 5.912 342 HA THR 49 HA THR 49 15.785 22.634 6.002 343 HB THR 49 HB THR 49 14.882 22.707 3.580 344 HG1 THR 49 HG1 THR 49 14.041 24.637 2.920 345 HG21 THR 49 1HG2 THR 49 12.863 22.347 4.492 346 HG22 THR 49 2HG2 THR 49 12.808 23.952 5.221 347 HG23 THR 49 3HG2 THR 49 13.658 22.640 6.038 348 H VAL 50 H VAL 50 17.179 25.219 4.025 349 HA VAL 50 HA VAL 50 18.776 23.558 2.392 350 HB VAL 50 HB VAL 50 19.226 26.447 3.155 351 HG11 VAL 50 1HG1 VAL 50 21.236 25.952 2.215 352 HG12 VAL 50 2HG1 VAL 50 20.593 24.599 1.282 353 HG13 VAL 50 3HG1 VAL 50 20.321 26.255 0.738 354 HG21 VAL 50 1HG2 VAL 50 17.121 25.346 1.739 355 HG22 VAL 50 2HG2 VAL 50 17.633 27.033 1.707 356 HG23 VAL 50 3HG2 VAL 50 18.226 25.908 0.485 357 H ARG 51 H ARG 51 19.383 25.186 5.468 358 HA ARG 51 HA ARG 51 22.141 24.599 5.620 359 HB2 ARG 51 2HB ARG 51 20.530 26.181 7.051 360 HB3 ARG 51 3HB ARG 51 20.546 24.788 8.123 361 HG2 ARG 51 2HG ARG 51 23.101 25.960 7.097 362 HG3 ARG 51 3HG ARG 51 22.270 26.659 8.488 363 HD2 ARG 51 2HD ARG 51 22.350 23.864 8.883 364 HD3 ARG 51 3HD ARG 51 23.961 24.359 8.367 365 HE ARG 51 HE ARG 51 22.708 24.924 10.874 366 HH11 ARG 51 1HH1 ARG 51 25.015 26.094 8.543 367 HH12 ARG 51 2HH1 ARG 51 25.912 27.020 9.701 368 HH21 ARG 51 1HH2 ARG 51 23.881 26.139 12.408 369 HH22 ARG 51 2HH2 ARG 51 25.266 27.044 11.899 370 H SER 52 H SER 52 19.269 22.908 6.812 371 HA SER 52 HA SER 52 20.648 20.873 8.202 372 HB2 SER 52 2HB SER 52 17.886 20.778 6.965 373 HB3 SER 52 3HB SER 52 18.508 19.676 8.193 374 HG SER 52 HG SER 52 18.186 22.482 8.497 375 H MET 53 H MET 53 19.137 20.885 4.975 376 HA MET 53 HA MET 53 19.902 18.294 4.239 377 HB2 MET 53 2HB MET 53 19.337 20.739 2.560 378 HB3 MET 53 3HB MET 53 19.595 19.137 1.882 379 HG2 MET 53 2HG MET 53 17.622 18.301 2.791 380 HG3 MET 53 3HG MET 53 17.493 19.617 3.955 381 HE1 MET 53 1HE MET 53 15.199 18.751 2.859 382 HE2 MET 53 2HE MET 53 14.345 19.996 1.948 383 HE3 MET 53 3HE MET 53 15.103 18.647 1.101 384 H ASN 54 H ASN 54 21.328 21.302 2.953 385 HA ASN 54 HA ASN 54 23.758 19.884 2.275 386 HB2 ASN 54 2HB ASN 54 22.502 21.880 1.021 387 HB3 ASN 54 3HB ASN 54 23.580 22.846 2.024 388 HD21 ASN 54 1HD2 ASN 54 24.592 23.558 0.099 389 HD22 ASN 54 2HD2 ASN 54 25.741 22.558 -0.717 390 H THR 55 H THR 55 24.984 19.403 4.010 391 HA THR 55 HA THR 55 25.213 20.783 6.390 392 HB THR 55 HB THR 55 26.118 18.509 6.015 393 HG1 THR 55 HG1 THR 55 28.114 18.933 7.225 394 HG21 THR 55 1HG2 THR 55 28.052 18.071 4.800 395 HG22 THR 55 2HG2 THR 55 28.575 19.755 4.835 396 HG23 THR 55 3HG2 THR 55 27.234 19.269 3.798 397 H ASN 56 H ASN 56 26.773 21.396 3.325 398 HA ASN 56 HA ASN 56 28.188 23.676 4.542 399 HB2 ASN 56 2HB ASN 56 28.932 22.031 2.115 400 HB3 ASN 56 3HB ASN 56 29.764 23.503 2.607 401 HD21 ASN 56 1HD2 ASN 56 30.244 20.406 2.526 402 HD22 ASN 56 2HD2 ASN 56 31.082 20.131 4.012 403 H ALA 57 H ALA 57 26.820 25.347 4.232 404 HA ALA 57 HA ALA 57 25.091 25.695 2.054 405 HB1 ALA 57 1HB ALA 57 25.435 28.231 2.867 406 HB2 ALA 57 2HB ALA 57 24.426 27.064 3.723 407 HB3 ALA 57 3HB ALA 57 26.073 27.376 4.271 408 H ASN 58 H ASN 58 25.957 25.559 0.043 409 HA ASN 58 HA ASN 58 28.053 27.518 -0.636 410 HB2 ASN 58 2HB ASN 58 28.367 24.834 -0.801 411 HB3 ASN 58 3HB ASN 58 27.712 25.167 -2.402 412 HD21 ASN 58 1HD2 ASN 58 30.473 24.990 -0.587 413 HD22 ASN 58 2HD2 ASN 58 31.538 25.882 -1.615 414 H GLY 59 H GLY 59 24.929 27.303 -0.774 415 HA2 GLY 59 2HA GLY 59 23.398 28.434 -2.088 416 HA3 GLY 59 3HA GLY 59 24.708 28.860 -3.179 417 H LEU 60 H LEU 60 24.297 25.532 -2.389 418 HA LEU 60 HA LEU 60 22.740 25.032 -4.814 419 HB2 LEU 60 2HB LEU 60 25.531 24.694 -4.660 420 HB3 LEU 60 3HB LEU 60 24.827 23.079 -4.616 421 HG LEU 60 HG LEU 60 23.472 24.111 -6.698 422 HD11 LEU 60 1HD1 LEU 60 25.010 26.203 -6.310 423 HD12 LEU 60 2HD1 LEU 60 24.627 25.648 -7.939 424 HD13 LEU 60 3HD1 LEU 60 26.180 25.237 -7.210 425 HD21 LEU 60 1HD2 LEU 60 25.397 23.088 -8.095 426 HD22 LEU 60 2HD2 LEU 60 24.499 22.055 -6.983 427 HD23 LEU 60 3HD2 LEU 60 26.088 22.670 -6.527 428 H ILE 61 H ILE 61 21.409 23.291 -4.686 429 HA ILE 61 HA ILE 61 21.530 21.723 -2.193 430 HB ILE 61 HB ILE 61 19.092 22.360 -3.859 431 HG12 ILE 61 2HG1 ILE 61 19.858 23.377 -1.115 432 HG13 ILE 61 3HG1 ILE 61 20.038 24.300 -2.603 433 HG21 ILE 61 1HG2 ILE 61 18.771 20.249 -2.833 434 HG22 ILE 61 2HG2 ILE 61 19.462 20.807 -1.310 435 HG23 ILE 61 3HG2 ILE 61 17.898 21.421 -1.846 436 HD11 ILE 61 1HD1 ILE 61 17.367 23.348 -2.453 437 HD12 ILE 61 2HD1 ILE 61 17.788 24.109 -0.918 438 HD13 ILE 61 3HD1 ILE 61 17.958 25.009 -2.425 439 H GLU 62 H GLU 62 21.671 19.566 -2.325 440 HA GLU 62 HA GLU 62 21.923 18.365 -4.951 441 HB2 GLU 62 2HB GLU 62 22.567 17.535 -2.157 442 HB3 GLU 62 3HB GLU 62 22.355 16.284 -3.374 443 HG2 GLU 62 2HG GLU 62 24.143 18.554 -4.030 444 HG3 GLU 62 3HG GLU 62 24.709 17.368 -2.856 445 H TYR 63 H TYR 63 20.599 16.837 -5.830 446 HA TYR 63 HA TYR 63 17.884 16.822 -5.059 447 HB2 TYR 63 2HB TYR 63 17.589 15.141 -6.816 448 HB3 TYR 63 3HB TYR 63 18.609 16.461 -7.379 449 HD1 TYR 63 HD1 TYR 63 20.992 16.111 -7.777 450 HD2 TYR 63 HD2 TYR 63 18.485 12.915 -6.512 451 HE1 TYR 63 HE1 TYR 63 22.732 14.498 -8.425 452 HE2 TYR 63 HE2 TYR 63 20.219 11.293 -7.155 453 HH TYR 63 HH TYR 63 22.465 11.686 -9.124 454 H GLY 64 H GLY 64 20.535 14.558 -4.526 455 HA2 GLY 64 2HA GLY 64 19.008 12.426 -3.490 456 HA3 GLY 64 3HA GLY 64 20.715 12.705 -3.183 457 H GLU 65 H GLU 65 20.816 14.976 -1.774 458 HA GLU 65 HA GLU 65 19.976 14.170 0.801 459 HB2 GLU 65 2HB GLU 65 20.985 16.847 -0.175 460 HB3 GLU 65 3HB GLU 65 20.782 16.412 1.516 461 HG2 GLU 65 2HG GLU 65 22.694 15.211 -0.467 462 HG3 GLU 65 3HG GLU 65 23.080 16.170 0.961 463 H PHE 66 H PHE 66 18.584 16.262 -1.619 464 HA PHE 66 HA PHE 66 16.731 17.611 0.029 465 HB2 PHE 66 2HB PHE 66 17.312 18.388 -2.230 466 HB3 PHE 66 3HB PHE 66 16.546 16.962 -2.921 467 HD1 PHE 66 HD1 PHE 66 14.223 16.881 -3.289 468 HD2 PHE 66 HD2 PHE 66 15.911 20.071 -1.033 469 HE1 PHE 66 HE1 PHE 66 12.075 18.078 -3.380 470 HE2 PHE 66 HE2 PHE 66 13.766 21.273 -1.119 471 HZ PHE 66 HZ PHE 66 11.844 20.276 -2.293 472 H GLU 67 H GLU 67 16.276 14.821 -2.146 473 HA GLU 67 HA GLU 67 13.617 14.306 -1.354 474 HB2 GLU 67 2HB GLU 67 13.857 12.190 -2.515 475 HB3 GLU 67 3HB GLU 67 14.607 13.471 -3.456 476 HG2 GLU 67 2HG GLU 67 16.805 12.783 -2.639 477 HG3 GLU 67 3HG GLU 67 16.050 11.493 -1.706 478 H ARG 68 H ARG 68 16.724 13.175 -0.160 479 HA ARG 68 HA ARG 68 15.790 11.105 1.495 480 HB2 ARG 68 2HB ARG 68 18.173 11.481 0.852 481 HB3 ARG 68 3HB ARG 68 18.212 12.854 1.949 482 HG2 ARG 68 2HG ARG 68 17.305 10.296 3.102 483 HG3 ARG 68 3HG ARG 68 19.002 10.389 2.629 484 HD2 ARG 68 2HD ARG 68 18.179 12.778 4.022 485 HD3 ARG 68 3HD ARG 68 17.845 11.340 4.985 486 HE ARG 68 HE ARG 68 20.483 11.374 3.851 487 HH11 ARG 68 1HH1 ARG 68 18.507 12.410 6.523 488 HH12 ARG 68 2HH1 ARG 68 19.838 12.550 7.623 489 HH21 ARG 68 1HH2 ARG 68 22.244 11.554 5.289 490 HH22 ARG 68 2HH2 ARG 68 21.963 12.064 6.920 491 H MET 69 H MET 69 16.445 14.528 2.193 492 HA MET 69 HA MET 69 15.743 14.418 4.923 493 HB2 MET 69 2HB MET 69 17.058 16.256 4.050 494 HB3 MET 69 3HB MET 69 15.745 16.736 2.983 495 HG2 MET 69 2HG MET 69 15.863 18.211 4.886 496 HG3 MET 69 3HG MET 69 14.368 17.280 4.927 497 HE1 MET 69 1HE MET 69 18.177 16.599 6.217 498 HE2 MET 69 2HE MET 69 17.611 18.243 6.513 499 HE3 MET 69 3HE MET 69 17.856 17.137 7.866 500 H VAL 70 H VAL 70 13.891 15.526 2.086 501 HA VAL 70 HA VAL 70 11.526 16.200 3.343 502 HB VAL 70 HB VAL 70 11.833 14.910 0.628 503 HG11 VAL 70 1HG1 VAL 70 9.553 16.424 1.884 504 HG12 VAL 70 2HG1 VAL 70 9.692 16.135 0.149 505 HG13 VAL 70 3HG1 VAL 70 9.544 14.774 1.262 506 HG21 VAL 70 1HG2 VAL 70 12.596 16.854 -0.148 507 HG22 VAL 70 2HG2 VAL 70 11.336 17.763 0.686 508 HG23 VAL 70 3HG2 VAL 70 12.824 17.339 1.532 509 H LYS 71 H LYS 71 12.590 13.022 2.198 510 HA LYS 71 HA LYS 71 10.201 11.642 2.788 511 HB2 LYS 71 2HB LYS 71 11.839 10.674 1.299 512 HB3 LYS 71 3HB LYS 71 13.054 10.667 2.572 513 HG2 LYS 71 2HG LYS 71 10.650 9.217 3.318 514 HG3 LYS 71 3HG LYS 71 11.419 8.570 1.867 515 HD2 LYS 71 2HD LYS 71 12.955 9.171 4.383 516 HD3 LYS 71 3HD LYS 71 12.187 7.609 4.090 517 HE2 LYS 71 2HE LYS 71 13.584 8.150 1.750 518 HE3 LYS 71 3HE LYS 71 14.662 8.688 3.038 519 HZ1 LYS 71 1HZ LYS 71 15.067 6.600 3.653 520 HZ2 LYS 71 2HZ LYS 71 14.388 6.133 2.176 521 HZ3 LYS 71 3HZ LYS 71 13.438 6.148 3.575 522 H SER 72 H SER 72 13.057 12.395 4.699 523 HA SER 72 HA SER 72 12.476 10.713 6.892 524 HB2 SER 72 2HB SER 72 14.056 13.295 6.828 525 HB3 SER 72 3HB SER 72 14.086 12.108 8.131 526 HG SER 72 HG SER 72 15.560 11.122 7.026 527 H ARG 73 H ARG 73 12.011 14.229 6.510 528 HA ARG 73 HA ARG 73 10.626 14.632 8.906 529 HB2 ARG 73 2HB ARG 73 9.802 16.723 7.844 530 HB3 ARG 73 3HB ARG 73 11.539 16.499 7.683 531 HG2 ARG 73 2HG ARG 73 11.241 15.732 5.391 532 HG3 ARG 73 3HG ARG 73 9.494 15.920 5.550 533 HD2 ARG 73 2HD ARG 73 10.506 18.370 6.346 534 HD3 ARG 73 3HD ARG 73 11.539 17.905 4.994 535 HE ARG 73 HE ARG 73 8.869 17.473 4.268 536 HH11 ARG 73 1HH1 ARG 73 11.044 20.098 4.973 537 HH12 ARG 73 2HH1 ARG 73 10.224 21.226 3.945 538 HH21 ARG 73 1HH2 ARG 73 7.780 18.949 2.912 539 HH22 ARG 73 2HH2 ARG 73 8.367 20.572 2.775 540 H MET 74 H MET 74 9.501 13.671 5.714 541 HA MET 74 HA MET 74 6.727 13.934 6.273 542 HB2 MET 74 2HB MET 74 8.342 12.594 4.141 543 HB3 MET 74 3HB MET 74 6.627 12.229 4.275 544 HG2 MET 74 2HG MET 74 7.629 15.047 4.101 545 HG3 MET 74 3HG MET 74 7.337 14.070 2.664 546 HE1 MET 74 1HE MET 74 4.344 16.231 5.260 547 HE2 MET 74 2HE MET 74 5.995 15.819 5.720 548 HE3 MET 74 3HE MET 74 5.704 16.916 4.370 549 H ALA 75 H ALA 75 9.081 11.397 6.747 550 HA ALA 75 HA ALA 75 7.456 9.179 7.071 551 HB1 ALA 75 1HB ALA 75 9.936 9.160 7.064 552 HB2 ALA 75 2HB ALA 75 9.911 9.806 8.705 553 HB3 ALA 75 3HB ALA 75 9.231 8.212 8.375 554 H GLN 76 H GLN 76 8.067 11.839 9.274 555 HA GLN 76 HA GLN 76 6.895 10.631 11.566 556 HB2 GLN 76 2HB GLN 76 8.461 12.506 11.745 557 HB3 GLN 76 3HB GLN 76 7.321 13.551 10.909 558 HG2 GLN 76 2HG GLN 76 6.641 14.149 12.938 559 HG3 GLN 76 3HG GLN 76 5.818 12.591 12.980 560 HE21 GLN 76 1HE2 GLN 76 7.355 10.745 13.647 561 HE22 GLN 76 2HE2 GLN 76 8.328 11.063 15.039 562 H LYS 77 H LYS 77 5.680 12.756 9.020 563 HA LYS 77 HA LYS 77 3.055 12.935 10.203 564 HB2 LYS 77 2HB LYS 77 4.397 14.024 7.781 565 HB3 LYS 77 3HB LYS 77 2.644 13.891 7.742 566 HG2 LYS 77 2HG LYS 77 2.975 16.037 8.518 567 HG3 LYS 77 3HG LYS 77 2.732 15.125 10.009 568 HD2 LYS 77 2HD LYS 77 4.925 15.314 10.642 569 HD3 LYS 77 3HD LYS 77 5.508 15.424 8.980 570 HE2 LYS 77 2HE LYS 77 4.684 17.695 8.809 571 HE3 LYS 77 3HE LYS 77 3.983 17.590 10.424 572 HZ1 LYS 77 1HZ LYS 77 6.245 17.263 11.296 573 HZ2 LYS 77 2HZ LYS 77 6.059 18.757 10.527 574 HZ3 LYS 77 3HZ LYS 77 6.872 17.498 9.742 575 H ASP 78 H ASP 78 1.143 12.048 9.365 576 HA ASP 78 HA ASP 78 1.386 10.010 7.286 577 HB2 ASP 78 2HB ASP 78 0.331 9.469 10.068 578 HB3 ASP 78 3HB ASP 78 0.123 8.378 8.700 579 H SER 79 H SER 79 -0.970 8.969 7.058 580 HA SER 79 HA SER 79 -2.616 11.009 6.064 581 HB2 SER 79 2HB SER 79 -2.673 8.120 6.210 582 HB3 SER 79 3HB SER 79 -4.277 8.790 6.509 583 HG SER 79 HG SER 79 -3.195 8.438 4.196 584 HA PRO 80 HA PRO 80 -5.068 12.376 9.434 585 HB2 PRO 80 2HB PRO 80 -7.528 12.617 8.311 586 HB3 PRO 80 3HB PRO 80 -6.194 13.718 7.948 587 HG2 PRO 80 2HG PRO 80 -7.192 11.371 6.381 588 HG3 PRO 80 3HG PRO 80 -6.700 12.973 5.804 589 HD2 PRO 80 2HD PRO 80 -5.081 10.808 5.647 590 HD3 PRO 80 3HD PRO 80 -4.456 12.453 5.886 591 H GLU 81 H GLU 81 -6.648 9.780 7.578 592 HA GLU 81 HA GLU 81 -8.331 8.949 9.711 593 HB2 GLU 81 2HB GLU 81 -7.659 7.988 7.002 594 HB3 GLU 81 3HB GLU 81 -8.179 6.745 8.131 595 HG2 GLU 81 2HG GLU 81 -10.293 7.611 8.329 596 HG3 GLU 81 3HG GLU 81 -9.786 9.239 7.883 597 H GLU 82 H GLU 82 -5.170 7.908 8.540 598 HA GLU 82 HA GLU 82 -4.909 5.604 10.123 599 HB2 GLU 82 2HB GLU 82 -3.407 6.743 8.184 600 HB3 GLU 82 3HB GLU 82 -2.458 7.174 9.600 601 HG2 GLU 82 2HG GLU 82 -2.751 4.634 10.179 602 HG3 GLU 82 3HG GLU 82 -3.033 4.496 8.445 603 H VAL 83 H VAL 83 -3.732 8.917 10.693 604 HA VAL 83 HA VAL 83 -2.638 8.430 13.235 605 HB VAL 83 HB VAL 83 -3.751 11.020 12.145 606 HG11 VAL 83 1HG1 VAL 83 -3.489 11.072 14.570 607 HG12 VAL 83 2HG1 VAL 83 -1.820 10.520 14.410 608 HG13 VAL 83 3HG1 VAL 83 -2.292 12.101 13.784 609 HG21 VAL 83 1HG2 VAL 83 -0.873 10.778 12.217 610 HG22 VAL 83 2HG2 VAL 83 -1.599 9.509 11.230 611 HG23 VAL 83 3HG2 VAL 83 -1.932 11.204 10.873 612 H LEU 84 H LEU 84 -5.854 9.527 12.238 613 HA LEU 84 HA LEU 84 -6.903 10.091 14.760 614 HB2 LEU 84 2HB LEU 84 -8.023 9.392 12.109 615 HB3 LEU 84 3HB LEU 84 -9.096 9.238 13.498 616 HG LEU 84 HG LEU 84 -7.665 11.759 12.657 617 HD11 LEU 84 1HD1 LEU 84 -9.358 11.308 11.061 618 HD12 LEU 84 2HD1 LEU 84 -10.011 12.516 12.166 619 HD13 LEU 84 3HD1 LEU 84 -10.506 10.830 12.312 620 HD21 LEU 84 1HD2 LEU 84 -7.943 11.886 14.983 621 HD22 LEU 84 2HD2 LEU 84 -9.525 11.108 14.925 622 HD23 LEU 84 3HD2 LEU 84 -9.328 12.752 14.316 623 H LYS 85 H LYS 85 -7.091 7.070 12.884 624 HA LYS 85 HA LYS 85 -8.470 5.573 14.814 625 HB2 LYS 85 2HB LYS 85 -8.130 4.955 12.399 626 HB3 LYS 85 3HB LYS 85 -6.482 4.499 12.808 627 HG2 LYS 85 2HG LYS 85 -8.605 3.283 14.452 628 HG3 LYS 85 3HG LYS 85 -8.535 2.777 12.762 629 HD2 LYS 85 2HD LYS 85 -6.124 2.794 14.565 630 HD3 LYS 85 3HD LYS 85 -7.187 1.394 14.401 631 HE2 LYS 85 2HE LYS 85 -5.968 2.716 12.000 632 HE3 LYS 85 3HE LYS 85 -5.075 1.515 12.932 633 HZ1 LYS 85 1HZ LYS 85 -7.535 1.166 11.345 634 HZ2 LYS 85 2HZ LYS 85 -7.168 0.090 12.598 635 HZ3 LYS 85 3HZ LYS 85 -6.101 0.269 11.297 636 H ALA 86 H ALA 86 -5.013 6.073 14.277 637 HA ALA 86 HA ALA 86 -4.008 4.202 16.081 638 HB1 ALA 86 1HB ALA 86 -2.024 5.063 15.526 639 HB2 ALA 86 2HB ALA 86 -2.926 6.099 14.419 640 HB3 ALA 86 3HB ALA 86 -2.490 6.690 16.023 641 H PHE 87 H PHE 87 -4.715 7.653 16.630 642 HA PHE 87 HA PHE 87 -4.070 7.681 19.357 643 HB2 PHE 87 2HB PHE 87 -4.384 9.706 17.934 644 HB3 PHE 87 3HB PHE 87 -6.119 9.408 17.954 645 HD1 PHE 87 HD1 PHE 87 -7.402 9.685 20.022 646 HD2 PHE 87 HD2 PHE 87 -3.259 10.639 19.819 647 HE1 PHE 87 HE1 PHE 87 -7.600 10.972 22.110 648 HE2 PHE 87 HE2 PHE 87 -3.450 11.927 21.907 649 HZ PHE 87 HZ PHE 87 -5.622 12.095 23.055 650 H GLN 88 H GLN 88 -7.202 7.235 17.738 651 HA GLN 88 HA GLN 88 -8.840 7.058 19.957 652 HB2 GLN 88 2HB GLN 88 -9.358 6.936 17.386 653 HB3 GLN 88 3HB GLN 88 -9.271 5.200 17.650 654 HG2 GLN 88 2HG GLN 88 -11.000 5.416 19.399 655 HG3 GLN 88 3HG GLN 88 -11.127 7.133 19.019 656 HE21 GLN 88 1HE2 GLN 88 -13.350 6.721 18.553 657 HE22 GLN 88 2HE2 GLN 88 -13.812 6.052 17.029 658 H LEU 89 H LEU 89 -6.928 4.504 18.414 659 HA LEU 89 HA LEU 89 -7.824 2.415 20.106 660 HB2 LEU 89 2HB LEU 89 -6.802 2.014 17.923 661 HB3 LEU 89 3HB LEU 89 -5.273 2.658 18.516 662 HG LEU 89 HG LEU 89 -5.533 0.709 20.280 663 HD11 LEU 89 1HD1 LEU 89 -7.583 -0.234 19.764 664 HD12 LEU 89 2HD1 LEU 89 -6.451 -1.288 18.917 665 HD13 LEU 89 3HD1 LEU 89 -7.344 -0.057 18.026 666 HD21 LEU 89 1HD2 LEU 89 -4.714 0.029 17.469 667 HD22 LEU 89 2HD2 LEU 89 -4.043 -0.573 18.985 668 HD23 LEU 89 3HD2 LEU 89 -3.765 1.100 18.500 669 H PHE 90 H PHE 90 -5.002 4.553 20.189 670 HA PHE 90 HA PHE 90 -3.673 3.388 22.350 671 HB2 PHE 90 2HB PHE 90 -3.405 5.729 20.767 672 HB3 PHE 90 3HB PHE 90 -3.352 6.231 22.454 673 HD1 PHE 90 HD1 PHE 90 -1.381 6.053 23.652 674 HD2 PHE 90 HD2 PHE 90 -1.868 3.775 20.089 675 HE1 PHE 90 HE1 PHE 90 0.969 5.338 23.791 676 HE2 PHE 90 HE2 PHE 90 0.480 3.056 20.224 677 HZ PHE 90 HZ PHE 90 1.903 3.836 22.077 678 H ASP 91 H ASP 91 -6.360 5.637 22.246 679 HA ASP 91 HA ASP 91 -6.868 5.134 25.065 680 HB2 ASP 91 2HB ASP 91 -6.860 7.987 24.105 681 HB3 ASP 91 3HB ASP 91 -6.899 7.386 25.760 682 H LEU 92 H LEU 92 -8.928 4.577 25.215 683 HA LEU 92 HA LEU 92 -10.796 4.771 23.161 684 HB2 LEU 92 2HB LEU 92 -12.484 4.300 24.962 685 HB3 LEU 92 3HB LEU 92 -11.149 3.157 24.841 686 HG LEU 92 HG LEU 92 -10.625 5.276 26.763 687 HD11 LEU 92 1HD1 LEU 92 -12.797 3.380 27.565 688 HD12 LEU 92 2HD1 LEU 92 -13.182 4.940 26.837 689 HD13 LEU 92 3HD1 LEU 92 -12.270 4.872 28.345 690 HD21 LEU 92 1HD2 LEU 92 -10.861 2.432 27.536 691 HD22 LEU 92 2HD2 LEU 92 -9.585 3.601 27.877 692 HD23 LEU 92 3HD2 LEU 92 -9.667 2.820 26.297 693 H ASP 93 H ASP 93 -10.087 6.962 25.809 694 HA ASP 93 HA ASP 93 -12.266 8.735 24.975 695 HB2 ASP 93 2HB ASP 93 -10.730 8.337 27.472 696 HB3 ASP 93 3HB ASP 93 -11.164 10.002 27.097 697 H LYS 94 H LYS 94 -11.582 11.174 25.291 698 HA LYS 94 HA LYS 94 -9.019 11.590 23.901 699 HB2 LYS 94 2HB LYS 94 -10.147 13.504 22.716 700 HB3 LYS 94 3HB LYS 94 -10.702 11.904 22.243 701 HG2 LYS 94 2HG LYS 94 -12.269 12.993 24.422 702 HG3 LYS 94 3HG LYS 94 -12.278 14.041 23.001 703 HD2 LYS 94 2HD LYS 94 -13.310 12.468 21.680 704 HD3 LYS 94 3HD LYS 94 -12.694 11.113 22.629 705 HE2 LYS 94 2HE LYS 94 -14.319 11.360 24.268 706 HE3 LYS 94 3HE LYS 94 -14.647 13.036 23.829 707 HZ1 LYS 94 1HZ LYS 94 -16.125 12.422 22.287 708 HZ2 LYS 94 2HZ LYS 94 -16.164 10.942 23.104 709 HZ3 LYS 94 3HZ LYS 94 -15.188 11.126 21.734 710 H LYS 95 H LYS 95 -8.314 11.914 26.173 711 HA LYS 95 HA LYS 95 -9.254 14.195 27.621 712 HB2 LYS 95 2HB LYS 95 -7.273 13.760 29.076 713 HB3 LYS 95 3HB LYS 95 -8.314 12.360 28.856 714 HG2 LYS 95 2HG LYS 95 -6.439 12.159 26.818 715 HG3 LYS 95 3HG LYS 95 -5.520 12.700 28.224 716 HD2 LYS 95 2HD LYS 95 -7.457 10.403 28.350 717 HD3 LYS 95 3HD LYS 95 -5.763 10.187 27.906 718 HE2 LYS 95 2HE LYS 95 -5.138 11.292 30.054 719 HE3 LYS 95 3HE LYS 95 -6.845 11.291 30.495 720 HZ1 LYS 95 1HZ LYS 95 -6.153 9.365 31.467 721 HZ2 LYS 95 2HZ LYS 95 -4.976 9.043 30.296 722 HZ3 LYS 95 3HZ LYS 95 -6.608 8.758 29.954 723 H GLY 96 H GLY 96 -6.562 13.540 25.444 724 HA2 GLY 96 2HA GLY 96 -5.262 15.007 24.231 725 HA3 GLY 96 3HA GLY 96 -6.284 16.312 24.814 726 H LYS 97 H LYS 97 -4.962 14.347 27.262 727 HA LYS 97 HA LYS 97 -2.938 16.412 27.828 728 HB2 LYS 97 2HB LYS 97 -4.811 14.890 29.578 729 HB3 LYS 97 3HB LYS 97 -3.237 15.322 30.233 730 HG2 LYS 97 2HG LYS 97 -3.805 17.464 30.485 731 HG3 LYS 97 3HG LYS 97 -4.581 17.540 28.902 732 HD2 LYS 97 2HD LYS 97 -6.268 17.927 30.541 733 HD3 LYS 97 3HD LYS 97 -6.523 16.302 29.900 734 HE2 LYS 97 2HE LYS 97 -5.350 15.368 31.846 735 HE3 LYS 97 3HE LYS 97 -5.133 16.996 32.487 736 HZ1 LYS 97 1HZ LYS 97 -7.093 15.579 33.318 737 HZ2 LYS 97 2HZ LYS 97 -7.832 15.995 31.855 738 HZ3 LYS 97 3HZ LYS 97 -7.373 17.205 32.944 739 H ILE 98 H ILE 98 -1.120 15.549 26.947 740 HA ILE 98 HA ILE 98 -0.203 13.004 28.099 741 HB ILE 98 HB ILE 98 0.197 13.833 25.222 742 HG12 ILE 98 2HG1 ILE 98 -1.105 11.501 25.048 743 HG13 ILE 98 3HG1 ILE 98 -1.761 12.053 26.585 744 HG21 ILE 98 1HG2 ILE 98 2.094 12.620 25.735 745 HG22 ILE 98 2HG2 ILE 98 1.249 11.585 26.885 746 HG23 ILE 98 3HG2 ILE 98 1.004 11.362 25.153 747 HD11 ILE 98 1HD1 ILE 98 -3.114 13.489 25.580 748 HD12 ILE 98 2HD1 ILE 98 -1.807 14.143 24.592 749 HD13 ILE 98 3HD1 ILE 98 -2.676 12.703 24.063 750 H SER 99 H SER 99 1.852 12.992 28.820 751 HA SER 99 HA SER 99 3.243 15.455 29.081 752 HB2 SER 99 2HB SER 99 4.085 12.613 29.686 753 HB3 SER 99 3HB SER 99 5.037 14.035 30.110 754 HG SER 99 HG SER 99 2.783 13.011 31.293 755 H PHE 100 H PHE 100 4.813 16.336 27.884 756 HA PHE 100 HA PHE 100 5.319 15.582 25.275 757 HB2 PHE 100 2HB PHE 100 7.228 17.129 25.347 758 HB3 PHE 100 3HB PHE 100 5.815 17.819 26.138 759 HD1 PHE 100 HD1 PHE 100 5.751 18.086 28.559 760 HD2 PHE 100 HD2 PHE 100 9.204 16.572 26.584 761 HE1 PHE 100 HE1 PHE 100 7.086 18.498 30.584 762 HE2 PHE 100 HE2 PHE 100 10.545 16.980 28.606 763 HZ PHE 100 HZ PHE 100 9.486 17.944 30.610 764 H ALA 101 H ALA 101 7.051 14.708 28.214 765 HA ALA 101 HA ALA 101 9.284 13.490 27.034 766 HB1 ALA 101 1HB ALA 101 9.848 13.372 29.174 767 HB2 ALA 101 2HB ALA 101 8.196 13.765 29.654 768 HB3 ALA 101 3HB ALA 101 8.666 12.083 29.403 769 H ASN 102 H ASN 102 6.216 12.058 28.140 770 HA ASN 102 HA ASN 102 6.769 9.416 27.436 771 HB2 ASN 102 2HB ASN 102 4.353 10.996 28.042 772 HB3 ASN 102 3HB ASN 102 4.074 9.559 27.063 773 HD21 ASN 102 1HD2 ASN 102 3.070 8.323 28.554 774 HD22 ASN 102 2HD2 ASN 102 3.812 7.768 30.012 775 H LEU 103 H LEU 103 5.192 11.983 25.555 776 HA LEU 103 HA LEU 103 4.585 10.499 23.278 777 HB2 LEU 103 2HB LEU 103 4.113 13.007 24.003 778 HB3 LEU 103 3HB LEU 103 5.498 13.308 22.956 779 HG LEU 103 HG LEU 103 4.122 11.909 21.225 780 HD11 LEU 103 1HD1 LEU 103 2.090 11.292 21.853 781 HD12 LEU 103 2HD1 LEU 103 1.650 12.989 22.040 782 HD13 LEU 103 3HD1 LEU 103 2.298 12.091 23.412 783 HD21 LEU 103 1HD2 LEU 103 4.562 14.058 20.569 784 HD22 LEU 103 2HD2 LEU 103 3.864 14.765 22.027 785 HD23 LEU 103 3HD2 LEU 103 2.810 14.140 20.758 786 H LYS 104 H LYS 104 7.515 12.350 24.050 787 HA LYS 104 HA LYS 104 8.879 11.927 21.648 788 HB2 LYS 104 2HB LYS 104 9.485 13.495 23.573 789 HB3 LYS 104 3HB LYS 104 10.218 12.095 24.344 790 HG2 LYS 104 2HG LYS 104 11.026 12.653 21.556 791 HG3 LYS 104 3HG LYS 104 11.578 13.783 22.794 792 HD2 LYS 104 2HD LYS 104 11.884 10.827 23.174 793 HD3 LYS 104 3HD LYS 104 13.053 11.738 22.215 794 HE2 LYS 104 2HE LYS 104 12.874 13.301 24.418 795 HE3 LYS 104 3HE LYS 104 12.589 11.711 25.123 796 HZ1 LYS 104 1HZ LYS 104 14.755 11.612 23.303 797 HZ2 LYS 104 2HZ LYS 104 14.732 11.236 24.952 798 HZ3 LYS 104 3HZ LYS 104 15.023 12.826 24.451 799 H GLU 105 H GLU 105 9.100 10.101 24.702 800 HA GLU 105 HA GLU 105 10.926 8.181 23.918 801 HB2 GLU 105 2HB GLU 105 10.196 8.373 26.219 802 HB3 GLU 105 3HB GLU 105 8.560 7.905 25.777 803 HG2 GLU 105 2HG GLU 105 9.435 5.696 25.077 804 HG3 GLU 105 3HG GLU 105 11.020 6.177 25.677 805 H VAL 106 H VAL 106 7.387 8.098 23.599 806 HA VAL 106 HA VAL 106 7.168 5.560 22.450 807 HB VAL 106 HB VAL 106 5.406 7.964 21.953 808 HG11 VAL 106 1HG1 VAL 106 4.776 6.454 20.317 809 HG12 VAL 106 2HG1 VAL 106 5.122 5.052 21.331 810 HG13 VAL 106 3HG1 VAL 106 3.695 6.039 21.647 811 HG21 VAL 106 1HG2 VAL 106 4.248 6.078 23.728 812 HG22 VAL 106 2HG2 VAL 106 5.869 6.450 24.313 813 HG23 VAL 106 3HG2 VAL 106 4.706 7.750 24.050 814 H ALA 107 H ALA 107 7.609 8.734 20.934 815 HA ALA 107 HA ALA 107 7.408 7.927 18.264 816 HB1 ALA 107 1HB ALA 107 8.400 10.268 19.706 817 HB2 ALA 107 2HB ALA 107 9.198 9.986 18.159 818 HB3 ALA 107 3HB ALA 107 7.445 10.165 18.227 819 H LYS 108 H LYS 108 10.273 8.218 20.350 820 HA LYS 108 HA LYS 108 12.144 7.390 18.408 821 HB2 LYS 108 2HB LYS 108 12.231 7.333 21.426 822 HB3 LYS 108 3HB LYS 108 13.604 6.909 20.412 823 HG2 LYS 108 2HG LYS 108 12.220 9.560 20.176 824 HG3 LYS 108 3HG LYS 108 13.513 9.274 21.344 825 HD2 LYS 108 2HD LYS 108 14.696 8.305 19.147 826 HD3 LYS 108 3HD LYS 108 13.623 9.486 18.391 827 HE2 LYS 108 2HE LYS 108 15.474 10.132 20.678 828 HE3 LYS 108 3HE LYS 108 15.913 10.335 18.983 829 HZ1 LYS 108 1HZ LYS 108 13.551 11.616 19.122 830 HZ2 LYS 108 2HZ LYS 108 15.060 12.369 19.248 831 HZ3 LYS 108 3HZ LYS 108 14.203 11.955 20.646 832 H LEU 109 H LEU 109 10.156 5.629 20.705 833 HA LEU 109 HA LEU 109 11.424 3.124 20.482 834 HB2 LEU 109 2HB LEU 109 9.934 3.491 22.290 835 HB3 LEU 109 3HB LEU 109 8.616 3.923 21.203 836 HG LEU 109 HG LEU 109 9.434 1.262 20.603 837 HD11 LEU 109 1HD1 LEU 109 10.316 0.785 22.668 838 HD12 LEU 109 2HD1 LEU 109 8.618 0.386 22.927 839 HD13 LEU 109 3HD1 LEU 109 9.259 1.923 23.505 840 HD21 LEU 109 1HD2 LEU 109 6.944 1.883 22.106 841 HD22 LEU 109 2HD2 LEU 109 7.188 0.853 20.695 842 HD23 LEU 109 3HD2 LEU 109 7.167 2.607 20.513 843 H LEU 110 H LEU 110 9.058 4.758 18.499 844 HA LEU 110 HA LEU 110 8.211 2.508 17.001 845 HB2 LEU 110 2HB LEU 110 8.195 5.458 16.414 846 HB3 LEU 110 3HB LEU 110 7.507 4.258 15.322 847 HG LEU 110 HG LEU 110 6.586 4.806 18.144 848 HD11 LEU 110 1HD1 LEU 110 4.869 5.264 15.775 849 HD12 LEU 110 2HD1 LEU 110 6.149 6.436 16.088 850 HD13 LEU 110 3HD1 LEU 110 4.928 6.115 17.319 851 HD21 LEU 110 1HD2 LEU 110 6.101 2.560 17.775 852 HD22 LEU 110 2HD2 LEU 110 5.766 2.812 16.062 853 HD23 LEU 110 3HD2 LEU 110 4.622 3.383 17.278 854 H GLY 111 H GLY 111 11.121 4.256 17.038 855 HA2 GLY 111 2HA GLY 111 13.068 3.658 15.881 856 HA3 GLY 111 3HA GLY 111 12.087 2.729 14.756 857 H GLU 112 H GLU 112 11.053 5.935 15.431 858 HA GLU 112 HA GLU 112 11.856 6.729 12.726 859 HB2 GLU 112 2HB GLU 112 9.435 6.923 13.996 860 HB3 GLU 112 3HB GLU 112 10.095 8.536 14.230 861 HG2 GLU 112 2HG GLU 112 8.901 8.716 12.255 862 HG3 GLU 112 3HG GLU 112 10.564 8.500 11.712 863 H ASN 113 H ASN 113 13.274 8.324 12.350 864 HA ASN 113 HA ASN 113 14.253 9.853 14.672 865 HB2 ASN 113 2HB ASN 113 15.682 8.484 12.453 866 HB3 ASN 113 3HB ASN 113 16.344 10.020 13.005 867 HD21 ASN 113 1HD2 ASN 113 18.178 9.101 13.863 868 HD22 ASN 113 2HD2 ASN 113 18.157 8.131 15.294 869 HA PRO 114 HA PRO 114 12.443 12.811 11.564 870 HB2 PRO 114 2HB PRO 114 11.026 14.239 13.387 871 HB3 PRO 114 3HB PRO 114 10.391 12.790 12.598 872 HG2 PRO 114 2HG PRO 114 11.612 13.087 15.315 873 HG3 PRO 114 3HG PRO 114 10.178 12.164 14.827 874 HD2 PRO 114 2HD PRO 114 12.589 11.001 15.238 875 HD3 PRO 114 3HD PRO 114 11.430 10.397 14.037 876 H GLY 115 H GLY 115 12.534 15.261 11.687 877 HA2 GLY 115 2HA GLY 115 15.162 16.026 12.544 878 HA3 GLY 115 3HA GLY 115 13.979 17.061 11.758 879 H ASP 116 H ASP 116 15.797 17.243 14.236 880 HA ASP 116 HA ASP 116 14.332 17.355 16.573 881 HB2 ASP 116 2HB ASP 116 16.796 18.625 15.569 882 HB3 ASP 116 3HB ASP 116 16.005 19.482 16.889 883 H ASP 117 H ASP 117 14.546 19.726 13.977 884 HA ASP 117 HA ASP 117 13.255 21.865 15.225 885 HB2 ASP 117 2HB ASP 117 12.664 22.580 12.891 886 HB3 ASP 117 3HB ASP 117 14.371 22.215 13.130 887 H VAL 118 H VAL 118 11.960 19.030 13.590 888 HA VAL 118 HA VAL 118 9.253 19.895 13.564 889 HB VAL 118 HB VAL 118 10.275 17.054 13.514 890 HG11 VAL 118 1HG1 VAL 118 7.893 17.207 13.949 891 HG12 VAL 118 2HG1 VAL 118 7.687 18.274 12.558 892 HG13 VAL 118 3HG1 VAL 118 8.176 16.596 12.319 893 HG21 VAL 118 1HG2 VAL 118 11.348 17.844 11.673 894 HG22 VAL 118 2HG2 VAL 118 9.766 17.558 10.948 895 HG23 VAL 118 3HG2 VAL 118 10.223 19.184 11.454 896 H LEU 119 H LEU 119 11.262 18.264 15.907 897 HA LEU 119 HA LEU 119 9.144 17.340 17.572 898 HB2 LEU 119 2HB LEU 119 11.787 16.820 17.428 899 HB3 LEU 119 3HB LEU 119 11.760 17.924 18.802 900 HG LEU 119 HG LEU 119 11.693 15.682 19.629 901 HD11 LEU 119 1HD1 LEU 119 9.958 17.595 20.374 902 HD12 LEU 119 2HD1 LEU 119 10.073 16.020 21.159 903 HD13 LEU 119 3HD1 LEU 119 8.830 16.310 19.942 904 HD21 LEU 119 1HD2 LEU 119 9.490 15.327 17.623 905 HD22 LEU 119 2HD2 LEU 119 9.650 14.258 19.018 906 HD23 LEU 119 3HD2 LEU 119 10.958 14.373 17.839 907 H GLN 120 H GLN 120 11.464 20.023 17.958 908 HA GLN 120 HA GLN 120 10.267 21.133 20.235 909 HB2 GLN 120 2HB GLN 120 11.758 22.707 18.140 910 HB3 GLN 120 3HB GLN 120 11.635 23.047 19.861 911 HG2 GLN 120 2HG GLN 120 13.241 20.940 18.472 912 HG3 GLN 120 3HG GLN 120 13.779 22.191 19.591 913 HE21 GLN 120 1HE2 GLN 120 13.811 19.113 19.459 914 HE22 GLN 120 2HE2 GLN 120 13.325 18.649 21.051 915 H GLU 121 H GLU 121 9.813 21.854 16.793 916 HA GLU 121 HA GLU 121 8.032 24.004 17.125 917 HB2 GLU 121 2HB GLU 121 8.498 22.067 14.868 918 HB3 GLU 121 3HB GLU 121 7.287 23.337 14.761 919 HG2 GLU 121 2HG GLU 121 9.835 24.374 15.643 920 HG3 GLU 121 3HG GLU 121 9.970 23.529 14.102 921 H MET 122 H MET 122 7.451 20.532 16.674 922 HA MET 122 HA MET 122 4.671 20.591 16.551 923 HB2 MET 122 2HB MET 122 5.941 18.584 16.035 924 HB3 MET 122 3HB MET 122 6.489 18.468 17.701 925 HG2 MET 122 2HG MET 122 4.478 17.693 18.459 926 HG3 MET 122 3HG MET 122 3.567 18.471 17.166 927 HE1 MET 122 1HE MET 122 2.111 15.843 16.539 928 HE2 MET 122 2HE MET 122 3.088 14.526 17.189 929 HE3 MET 122 3HE MET 122 2.788 15.967 18.163 930 H ILE 123 H ILE 123 6.727 20.027 19.411 931 HA ILE 123 HA ILE 123 4.667 19.918 21.293 932 HB ILE 123 HB ILE 123 7.501 20.882 21.693 933 HG12 ILE 123 2HG1 ILE 123 7.319 18.596 20.760 934 HG13 ILE 123 3HG1 ILE 123 7.976 18.599 22.393 935 HG21 ILE 123 1HG2 ILE 123 6.906 21.358 23.778 936 HG22 ILE 123 2HG2 ILE 123 5.263 20.795 23.476 937 HG23 ILE 123 3HG2 ILE 123 6.498 19.659 24.015 938 HD11 ILE 123 1HD1 ILE 123 6.351 17.286 23.122 939 HD12 ILE 123 2HD1 ILE 123 5.107 18.323 22.423 940 HD13 ILE 123 3HD1 ILE 123 5.870 17.074 21.439 941 H ALA 124 H ALA 124 6.448 22.665 19.986 942 HA ALA 124 HA ALA 124 5.525 24.634 21.757 943 HB1 ALA 124 1HB ALA 124 7.402 24.911 20.156 944 HB2 ALA 124 2HB ALA 124 6.222 25.018 18.850 945 HB3 ALA 124 3HB ALA 124 6.242 26.239 20.122 946 H GLU 125 H GLU 125 4.199 23.471 18.679 947 HA GLU 125 HA GLU 125 2.057 25.307 18.551 948 HB2 GLU 125 2HB GLU 125 2.861 22.846 17.152 949 HB3 GLU 125 3HB GLU 125 1.127 23.133 17.184 950 HG2 GLU 125 2HG GLU 125 2.914 25.376 16.412 951 HG3 GLU 125 3HG GLU 125 2.650 24.071 15.257 952 H ALA 126 H ALA 126 2.178 21.922 19.647 953 HA ALA 126 HA ALA 126 -0.518 21.772 20.450 954 HB1 ALA 126 1HB ALA 126 1.854 20.110 20.640 955 HB2 ALA 126 2HB ALA 126 0.821 19.976 22.064 956 HB3 ALA 126 3HB ALA 126 0.161 19.650 20.462 957 H ASP 127 H ASP 127 2.301 23.095 21.970 958 HA ASP 127 HA ASP 127 1.404 23.052 24.651 959 HB2 ASP 127 2HB ASP 127 3.596 24.267 23.141 960 HB3 ASP 127 3HB ASP 127 3.040 25.268 24.479 961 H GLU 128 H GLU 128 0.686 25.099 21.949 962 HA GLU 128 HA GLU 128 -0.215 27.386 23.311 963 HB2 GLU 128 2HB GLU 128 0.130 26.792 20.716 964 HB3 GLU 128 3HB GLU 128 -1.612 26.585 20.818 965 HG2 GLU 128 2HG GLU 128 -1.584 28.776 20.298 966 HG3 GLU 128 3HG GLU 128 -1.414 28.938 22.045 967 H ASP 129 H ASP 129 -1.658 24.278 22.789 968 HA ASP 129 HA ASP 129 -4.362 24.955 23.191 969 HB2 ASP 129 2HB ASP 129 -3.420 22.757 22.312 970 HB3 ASP 129 3HB ASP 129 -3.097 22.335 23.991 971 H GLY 130 H GLY 130 -1.738 24.241 25.421 972 HA2 GLY 130 2HA GLY 130 -3.418 25.240 27.608 973 HA3 GLY 130 3HA GLY 130 -2.674 23.658 27.792 974 H ASP 131 H ASP 131 -1.233 24.026 29.388 975 HA ASP 131 HA ASP 131 0.886 25.983 28.816 976 HB2 ASP 131 2HB ASP 131 -0.793 25.718 31.252 977 HB3 ASP 131 3HB ASP 131 0.922 26.036 31.500 978 H GLY 132 H GLY 132 2.261 24.367 28.064 979 HA2 GLY 132 2HA GLY 132 4.097 22.996 28.456 980 HA3 GLY 132 3HA GLY 132 3.628 22.898 30.147 981 H GLU 133 H GLU 133 1.212 22.216 27.791 982 HA GLU 133 HA GLU 133 1.562 19.329 28.272 983 HB2 GLU 133 2HB GLU 133 -1.046 20.845 28.059 984 HB3 GLU 133 3HB GLU 133 -0.886 19.106 28.260 985 HG2 GLU 133 2HG GLU 133 -0.214 19.282 30.454 986 HG3 GLU 133 3HG GLU 133 0.355 20.939 30.257 987 H VAL 134 H VAL 134 1.055 17.925 26.583 988 HA VAL 134 HA VAL 134 0.905 19.214 23.940 989 HB VAL 134 HB VAL 134 1.858 16.414 24.546 990 HG11 VAL 134 1HG1 VAL 134 1.020 16.848 22.255 991 HG12 VAL 134 2HG1 VAL 134 2.231 18.121 22.088 992 HG13 VAL 134 3HG1 VAL 134 2.736 16.444 22.304 993 HG21 VAL 134 1HG2 VAL 134 4.136 17.447 24.033 994 HG22 VAL 134 2HG2 VAL 134 3.367 19.004 24.341 995 HG23 VAL 134 3HG2 VAL 134 3.434 17.786 25.615 996 H SER 135 H SER 135 -1.102 19.213 23.170 997 HA SER 135 HA SER 135 -2.808 16.867 23.667 998 HB2 SER 135 2HB SER 135 -3.766 18.950 24.495 999 HB3 SER 135 3HB SER 135 -3.564 19.700 22.912 1000 HG SER 135 HG SER 135 -5.093 17.350 23.261 1001 H PHE 136 H PHE 136 -2.626 15.471 22.033 1002 HA PHE 136 HA PHE 136 -1.814 16.023 19.435 1003 HB2 PHE 136 2HB PHE 136 -2.643 13.752 20.886 1004 HB3 PHE 136 3HB PHE 136 -3.652 13.806 19.444 1005 HD1 PHE 136 HD1 PHE 136 -2.843 13.004 17.428 1006 HD2 PHE 136 HD2 PHE 136 -0.105 13.964 20.542 1007 HE1 PHE 136 HE1 PHE 136 -1.005 12.041 16.105 1008 HE2 PHE 136 HE2 PHE 136 1.737 13.004 19.224 1009 HZ PHE 136 HZ PHE 136 1.288 12.041 17.002 1010 H GLU 137 H GLU 137 -4.981 16.208 20.896 1011 HA GLU 137 HA GLU 137 -6.617 16.215 18.661 1012 HB2 GLU 137 2HB GLU 137 -7.297 16.302 21.111 1013 HB3 GLU 137 3HB GLU 137 -7.018 18.036 21.032 1014 HG2 GLU 137 2HG GLU 137 -8.652 18.020 19.064 1015 HG3 GLU 137 3HG GLU 137 -9.096 16.407 19.620 1016 H GLU 138 H GLU 138 -4.758 18.867 20.081 1017 HA GLU 138 HA GLU 138 -5.751 20.921 18.433 1018 HB2 GLU 138 2HB GLU 138 -4.015 20.784 20.556 1019 HB3 GLU 138 3HB GLU 138 -2.941 21.196 19.227 1020 HG2 GLU 138 2HG GLU 138 -5.406 22.714 20.048 1021 HG3 GLU 138 3HG GLU 138 -3.737 23.186 20.362 1022 H PHE 139 H PHE 139 -2.898 18.833 18.114 1023 HA PHE 139 HA PHE 139 -1.842 19.955 15.791 1024 HB2 PHE 139 2HB PHE 139 -0.953 18.060 17.397 1025 HB3 PHE 139 3HB PHE 139 -1.701 16.997 16.210 1026 HD1 PHE 139 HD1 PHE 139 0.702 19.818 16.504 1027 HD2 PHE 139 HD2 PHE 139 -0.541 16.395 14.300 1028 HE1 PHE 139 HE1 PHE 139 2.697 20.015 15.078 1029 HE2 PHE 139 HE2 PHE 139 1.453 16.586 12.872 1030 HZ PHE 139 HZ PHE 139 3.076 18.397 13.260 1031 H LYS 140 H LYS 140 -4.032 17.164 16.111 1032 HA LYS 140 HA LYS 140 -4.375 16.638 13.400 1033 HB2 LYS 140 2HB LYS 140 -5.135 15.193 15.301 1034 HB3 LYS 140 3HB LYS 140 -6.474 16.305 15.549 1035 HG2 LYS 140 2HG LYS 140 -7.555 14.835 14.234 1036 HG3 LYS 140 3HG LYS 140 -6.812 15.781 12.943 1037 HD2 LYS 140 2HD LYS 140 -4.890 13.889 13.701 1038 HD3 LYS 140 3HD LYS 140 -6.423 13.015 13.641 1039 HE2 LYS 140 2HE LYS 140 -5.162 14.654 11.448 1040 HE3 LYS 140 3HE LYS 140 -5.391 12.906 11.477 1041 HZ1 LYS 140 1HZ LYS 140 -7.895 13.897 11.857 1042 HZ2 LYS 140 2HZ LYS 140 -7.276 13.311 10.397 1043 HZ3 LYS 140 3HZ LYS 140 -7.230 14.969 10.729 1044 H SER 141 H SER 141 -6.304 18.722 15.540 1045 HA SER 141 HA SER 141 -8.251 19.520 13.745 1046 HB2 SER 141 2HB SER 141 -8.737 20.321 15.833 1047 HB3 SER 141 3HB SER 141 -7.053 20.693 16.198 1048 HG SER 141 HG SER 141 -8.859 22.408 15.566 1049 H VAL 142 H VAL 142 -5.131 21.105 14.408 1050 HA VAL 142 HA VAL 142 -5.367 23.178 12.555 1051 HB VAL 142 HB VAL 142 -2.809 21.788 13.365 1052 HG11 VAL 142 1HG1 VAL 142 -3.444 24.307 11.929 1053 HG12 VAL 142 2HG1 VAL 142 -2.088 24.322 13.057 1054 HG13 VAL 142 3HG1 VAL 142 -2.102 23.185 11.709 1055 HG21 VAL 142 1HG2 VAL 142 -4.682 23.216 14.952 1056 HG22 VAL 142 2HG2 VAL 142 -3.109 22.571 15.422 1057 HG23 VAL 142 3HG2 VAL 142 -3.234 24.210 14.783 1058 H MET 143 H MET 143 -3.922 19.951 12.174 1059 HA MET 143 HA MET 143 -2.987 20.193 9.579 1060 HB2 MET 143 2HB MET 143 -2.697 18.249 11.209 1061 HB3 MET 143 3HB MET 143 -4.261 17.679 10.644 1062 HG2 MET 143 2HG MET 143 -2.840 16.488 9.307 1063 HG3 MET 143 3HG MET 143 -3.178 17.886 8.289 1064 HE1 MET 143 1HE MET 143 0.383 15.937 9.001 1065 HE2 MET 143 2HE MET 143 0.323 16.596 10.636 1066 HE3 MET 143 3HE MET 143 -1.057 15.704 9.993 1067 H MET 144 H MET 144 -6.179 19.022 10.646 1068 HA MET 144 HA MET 144 -7.260 18.585 8.109 1069 HB2 MET 144 2HB MET 144 -8.258 17.813 10.258 1070 HB3 MET 144 3HB MET 144 -8.751 19.469 10.585 1071 HG2 MET 144 2HG MET 144 -10.192 19.466 8.651 1072 HG3 MET 144 3HG MET 144 -9.638 17.852 8.209 1073 HE1 MET 144 1HE MET 144 -10.971 19.931 11.086 1074 HE2 MET 144 2HE MET 144 -12.500 19.741 10.228 1075 HE3 MET 144 3HE MET 144 -12.265 18.965 11.795 1076 H GLN 145 H GLN 145 -7.300 21.486 10.147 1077 HA GLN 145 HA GLN 145 -8.949 23.086 8.579 1078 HB2 GLN 145 2HB GLN 145 -8.068 23.604 10.885 1079 HB3 GLN 145 3HB GLN 145 -6.549 24.064 10.128 1080 HG2 GLN 145 2HG GLN 145 -7.353 26.025 9.398 1081 HG3 GLN 145 3HG GLN 145 -8.933 25.351 9.004 1082 HE21 GLN 145 1HE2 GLN 145 -6.992 25.798 11.946 1083 HE22 GLN 145 2HE2 GLN 145 -8.258 26.519 12.875 1084 H MET 146 H MET 146 -5.425 22.665 8.432 1085 HA MET 146 HA MET 146 -4.975 24.505 6.347 1086 HB2 MET 146 2HB MET 146 -3.337 22.044 6.964 1087 HB3 MET 146 3HB MET 146 -2.794 23.499 6.139 1088 HG2 MET 146 2HG MET 146 -3.855 24.213 8.688 1089 HG3 MET 146 3HG MET 146 -2.690 22.906 8.887 1090 HE1 MET 146 1HE MET 146 -0.319 23.152 8.984 1091 HE2 MET 146 2HE MET 146 -0.221 23.192 7.224 1092 HE3 MET 146 3HE MET 146 0.661 24.380 8.184 1093 H ARG 147 H ARG 147 -5.523 21.000 6.327 1094 HA ARG 147 HA ARG 147 -5.141 20.519 3.617 1095 HB2 ARG 147 2HB ARG 147 -6.455 19.163 5.851 1096 HB3 ARG 147 3HB ARG 147 -7.195 18.807 4.296 1097 HG2 ARG 147 2HG ARG 147 -4.236 18.583 4.729 1098 HG3 ARG 147 3HG ARG 147 -5.344 17.261 5.102 1099 HD2 ARG 147 2HD ARG 147 -6.024 18.197 2.532 1100 HD3 ARG 147 3HD ARG 147 -4.266 18.060 2.574 1101 HE ARG 147 HE ARG 147 -5.170 15.722 3.661 1102 HH11 ARG 147 1HH1 ARG 147 -5.672 17.409 0.658 1103 HH12 ARG 147 2HH1 ARG 147 -5.931 15.964 -0.262 1104 HH21 ARG 147 1HH2 ARG 147 -5.509 13.812 2.462 1105 HH22 ARG 147 2HH2 ARG 147 -5.839 13.918 0.766 1106 H GLY 148 H GLY 148 -8.074 21.541 5.333 1107 HA2 GLY 148 2HA GLY 148 -9.759 21.498 3.046 1108 HA3 GLY 148 3HA GLY 148 -10.090 22.330 4.558 1109 H LYS 149 H LYS 149 -8.339 24.260 4.803 1110 HA LYS 149 HA LYS 149 -9.131 26.179 2.890 1111 HB2 LYS 149 2HB LYS 149 -7.705 27.718 4.079 1112 HB3 LYS 149 3HB LYS 149 -8.534 26.698 5.247 1113 HG2 LYS 149 2HG LYS 149 -6.498 26.479 6.148 1114 HG3 LYS 149 3HG LYS 149 -6.255 25.287 4.870 1115 HD2 LYS 149 2HD LYS 149 -4.555 26.510 4.123 1116 HD3 LYS 149 3HD LYS 149 -5.701 27.790 3.720 1117 HE2 LYS 149 2HE LYS 149 -5.404 28.825 5.849 1118 HE3 LYS 149 3HE LYS 149 -4.476 27.452 6.451 1119 HZ1 LYS 149 1HZ LYS 149 -3.538 28.986 4.113 1120 HZ2 LYS 149 2HZ LYS 149 -2.645 28.030 5.185 1121 HZ3 LYS 149 3HZ LYS 149 -3.227 29.539 5.682 Start of MODEL 12 1 H1 MET 1 H MET 1 -1.360 -0.603 -2.999 2 HA MET 1 HA MET 1 1.115 -0.960 -4.015 3 HB2 MET 1 2HB MET 1 -1.156 -1.028 -5.212 4 HB3 MET 1 3HB MET 1 -0.901 0.682 -5.533 5 HG2 MET 1 2HG MET 1 1.396 -0.153 -6.471 6 HG3 MET 1 3HG MET 1 0.540 -1.687 -6.609 7 HE1 MET 1 1HE MET 1 1.102 0.543 -9.913 8 HE2 MET 1 2HE MET 1 0.911 1.869 -8.766 9 HE3 MET 1 3HE MET 1 1.968 0.511 -8.376 10 H ALA 2 H ALA 2 -0.516 2.212 -4.186 11 HA ALA 2 HA ALA 2 2.126 3.481 -3.904 12 HB1 ALA 2 1HB ALA 2 0.733 3.466 -6.243 13 HB2 ALA 2 2HB ALA 2 0.193 4.979 -5.514 14 HB3 ALA 2 3HB ALA 2 1.913 4.692 -5.777 15 H ALA 3 H ALA 3 2.233 5.251 -2.599 16 HA ALA 3 HA ALA 3 -0.209 5.902 -1.105 17 HB1 ALA 3 1HB ALA 3 2.402 6.907 -0.158 18 HB2 ALA 3 2HB ALA 3 1.054 6.214 0.744 19 HB3 ALA 3 3HB ALA 3 2.170 5.158 -0.122 20 H LEU 4 H LEU 4 -0.666 8.111 -0.565 21 HA LEU 4 HA LEU 4 -0.522 9.870 -2.740 22 HB2 LEU 4 2HB LEU 4 -1.407 11.559 -1.196 23 HB3 LEU 4 3HB LEU 4 -2.280 10.031 -1.102 24 HG LEU 4 HG LEU 4 -0.401 9.793 0.897 25 HD11 LEU 4 1HD1 LEU 4 -1.469 12.611 0.951 26 HD12 LEU 4 2HD1 LEU 4 0.201 12.166 0.601 27 HD13 LEU 4 3HD1 LEU 4 -0.486 11.828 2.189 28 HD21 LEU 4 1HD2 LEU 4 -2.285 10.042 2.397 29 HD22 LEU 4 2HD2 LEU 4 -2.779 9.153 0.956 30 HD23 LEU 4 3HD2 LEU 4 -3.215 10.853 1.137 31 H THR 5 H THR 5 1.425 9.630 0.193 32 HA THR 5 HA THR 5 2.856 11.984 0.073 33 HB THR 5 HB THR 5 4.772 10.619 1.091 34 HG1 THR 5 HG1 THR 5 4.046 8.498 1.790 35 HG21 THR 5 1HG2 THR 5 3.185 10.012 3.124 36 HG22 THR 5 2HG2 THR 5 2.028 10.962 2.191 37 HG23 THR 5 3HG2 THR 5 3.551 11.685 2.708 38 H ASP 6 H ASP 6 3.506 8.937 -1.621 39 HA ASP 6 HA ASP 6 5.931 9.639 -2.806 40 HB2 ASP 6 2HB ASP 6 3.921 7.566 -3.147 41 HB3 ASP 6 3HB ASP 6 4.644 8.033 -4.684 42 H GLU 7 H GLU 7 2.615 10.051 -4.010 43 HA GLU 7 HA GLU 7 3.310 11.191 -6.487 44 HB2 GLU 7 2HB GLU 7 1.054 10.271 -5.825 45 HB3 GLU 7 3HB GLU 7 0.794 11.753 -4.918 46 HG2 GLU 7 2HG GLU 7 1.619 12.405 -7.573 47 HG3 GLU 7 3HG GLU 7 0.275 11.265 -7.635 48 H GLN 8 H GLN 8 2.865 12.571 -3.293 49 HA GLN 8 HA GLN 8 2.774 15.284 -4.049 50 HB2 GLN 8 2HB GLN 8 2.324 14.080 -1.744 51 HB3 GLN 8 3HB GLN 8 4.019 14.456 -1.462 52 HG2 GLN 8 2HG GLN 8 1.783 16.389 -2.007 53 HG3 GLN 8 3HG GLN 8 2.698 16.193 -0.513 54 HE21 GLN 8 1HE2 GLN 8 5.150 16.426 -0.884 55 HE22 GLN 8 2HE2 GLN 8 5.629 17.790 -1.829 56 H ILE 9 H ILE 9 5.496 13.362 -2.775 57 HA ILE 9 HA ILE 9 7.449 15.349 -3.122 58 HB ILE 9 HB ILE 9 9.096 13.483 -3.019 59 HG12 ILE 9 2HG1 ILE 9 6.607 11.765 -2.898 60 HG13 ILE 9 3HG1 ILE 9 7.779 11.790 -4.212 61 HG21 ILE 9 1HG2 ILE 9 8.869 13.297 -0.770 62 HG22 ILE 9 2HG2 ILE 9 7.664 14.554 -1.043 63 HG23 ILE 9 3HG2 ILE 9 7.159 12.874 -0.866 64 HD11 ILE 9 1HD1 ILE 9 8.333 9.900 -2.984 65 HD12 ILE 9 2HD1 ILE 9 9.489 11.112 -2.431 66 HD13 ILE 9 3HD1 ILE 9 8.086 10.713 -1.439 67 H ARG 10 H ARG 10 6.158 12.930 -5.307 68 HA ARG 10 HA ARG 10 8.143 13.109 -7.304 69 HB2 ARG 10 2HB ARG 10 6.456 11.288 -7.143 70 HB3 ARG 10 3HB ARG 10 5.217 12.430 -7.647 71 HG2 ARG 10 2HG ARG 10 5.917 11.065 -9.513 72 HG3 ARG 10 3HG ARG 10 6.387 12.746 -9.777 73 HD2 ARG 10 2HD ARG 10 8.660 12.237 -9.069 74 HD3 ARG 10 3HD ARG 10 8.198 10.566 -8.745 75 HE ARG 10 HE ARG 10 8.754 11.750 -11.309 76 HH11 ARG 10 1HH1 ARG 10 7.155 9.158 -9.623 77 HH12 ARG 10 2HH1 ARG 10 7.147 8.097 -10.992 78 HH21 ARG 10 1HH2 ARG 10 8.750 10.362 -13.120 79 HH22 ARG 10 2HH2 ARG 10 8.055 8.782 -12.980 80 H GLU 11 H GLU 11 5.013 14.756 -6.936 81 HA GLU 11 HA GLU 11 5.216 16.282 -9.307 82 HB2 GLU 11 2HB GLU 11 3.358 15.976 -7.166 83 HB3 GLU 11 3HB GLU 11 3.670 17.693 -7.374 84 HG2 GLU 11 2HG GLU 11 3.333 16.926 -9.945 85 HG3 GLU 11 3HG GLU 11 2.257 15.803 -9.116 86 H ALA 12 H ALA 12 6.162 16.901 -5.965 87 HA ALA 12 HA ALA 12 6.815 19.614 -6.220 88 HB1 ALA 12 1HB ALA 12 8.429 17.894 -4.410 89 HB2 ALA 12 2HB ALA 12 7.680 19.463 -4.112 90 HB3 ALA 12 3HB ALA 12 6.691 18.004 -4.132 91 H PHE 13 H PHE 13 8.975 16.775 -6.346 92 HA PHE 13 HA PHE 13 11.290 18.191 -7.053 93 HB2 PHE 13 2HB PHE 13 11.386 15.910 -6.195 94 HB3 PHE 13 3HB PHE 13 10.545 15.315 -7.623 95 HD1 PHE 13 HD1 PHE 13 11.994 13.993 -8.820 96 HD2 PHE 13 HD2 PHE 13 13.399 17.678 -7.219 97 HE1 PHE 13 HE1 PHE 13 14.154 13.658 -9.951 98 HE2 PHE 13 HE2 PHE 13 15.560 17.350 -8.348 99 HZ PHE 13 HZ PHE 13 15.939 15.338 -9.717 100 H ASN 14 H ASN 14 8.652 16.933 -8.972 101 HA ASN 14 HA ASN 14 9.890 17.096 -11.503 102 HB2 ASN 14 2HB ASN 14 7.879 15.803 -11.263 103 HB3 ASN 14 3HB ASN 14 6.983 17.205 -10.686 104 HD21 ASN 14 1HD2 ASN 14 9.138 16.613 -13.443 105 HD22 ASN 14 2HD2 ASN 14 8.031 17.173 -14.645 106 H LEU 15 H LEU 15 7.771 19.367 -9.769 107 HA LEU 15 HA LEU 15 7.778 21.373 -11.740 108 HB2 LEU 15 2HB LEU 15 6.768 21.015 -9.097 109 HB3 LEU 15 3HB LEU 15 7.565 22.584 -9.190 110 HG LEU 15 HG LEU 15 5.210 22.840 -9.632 111 HD11 LEU 15 1HD1 LEU 15 6.780 24.259 -10.873 112 HD12 LEU 15 2HD1 LEU 15 5.306 23.946 -11.788 113 HD13 LEU 15 3HD1 LEU 15 6.791 23.084 -12.188 114 HD21 LEU 15 1HD2 LEU 15 5.174 21.383 -12.167 115 HD22 LEU 15 2HD2 LEU 15 3.969 21.457 -10.881 116 HD23 LEU 15 3HD2 LEU 15 5.336 20.349 -10.748 117 H PHE 16 H PHE 16 9.758 20.981 -8.812 118 HA PHE 16 HA PHE 16 11.276 23.301 -9.045 119 HB2 PHE 16 2HB PHE 16 11.932 20.605 -7.860 120 HB3 PHE 16 3HB PHE 16 13.025 21.981 -7.749 121 HD1 PHE 16 HD1 PHE 16 11.045 20.214 -5.778 122 HD2 PHE 16 HD2 PHE 16 11.313 24.219 -7.195 123 HE1 PHE 16 HE1 PHE 16 9.845 20.998 -3.778 124 HE2 PHE 16 HE2 PHE 16 10.114 25.010 -5.197 125 HZ PHE 16 HZ PHE 16 9.379 23.399 -3.485 126 H ASP 17 H ASP 17 11.857 20.075 -10.393 127 HA ASP 17 HA ASP 17 14.326 20.784 -11.634 128 HB2 ASP 17 2HB ASP 17 13.655 18.448 -11.010 129 HB3 ASP 17 3HB ASP 17 12.499 18.481 -12.338 130 H ALA 18 H ALA 18 10.988 21.026 -12.525 131 HA ALA 18 HA ALA 18 11.118 21.090 -15.293 132 HB1 ALA 18 1HB ALA 18 9.351 23.002 -13.826 133 HB2 ALA 18 2HB ALA 18 9.011 22.037 -15.262 134 HB3 ALA 18 3HB ALA 18 9.090 21.264 -13.679 135 H ASP 19 H ASP 19 12.124 23.473 -12.959 136 HA ASP 19 HA ASP 19 12.186 25.784 -14.472 137 HB2 ASP 19 2HB ASP 19 13.923 24.759 -12.248 138 HB3 ASP 19 3HB ASP 19 14.306 26.286 -13.038 139 H GLY 20 H GLY 20 14.266 22.988 -14.624 140 HA2 GLY 20 2HA GLY 20 15.640 22.366 -16.398 141 HA3 GLY 20 3HA GLY 20 15.393 23.953 -17.111 142 H SER 21 H SER 21 16.411 23.619 -13.800 143 HA SER 21 HA SER 21 19.015 24.758 -14.553 144 HB2 SER 21 2HB SER 21 17.316 25.899 -12.900 145 HB3 SER 21 3HB SER 21 17.994 24.761 -11.736 146 HG SER 21 HG SER 21 19.080 26.833 -11.850 147 H GLY 22 H GLY 22 20.899 24.102 -13.282 148 HA2 GLY 22 2HA GLY 22 21.052 21.248 -13.090 149 HA3 GLY 22 3HA GLY 22 22.344 22.386 -12.740 150 H ALA 23 H ALA 23 20.366 23.767 -10.851 151 HA ALA 23 HA ALA 23 20.050 21.826 -8.729 152 HB1 ALA 23 1HB ALA 23 22.077 22.195 -7.859 153 HB2 ALA 23 2HB ALA 23 22.327 23.653 -8.820 154 HB3 ALA 23 3HB ALA 23 21.407 23.734 -7.317 155 H ILE 24 H ILE 24 19.107 22.869 -6.744 156 HA ILE 24 HA ILE 24 17.444 25.182 -7.504 157 HB ILE 24 HB ILE 24 16.661 22.895 -5.693 158 HG12 ILE 24 2HG1 ILE 24 14.908 23.134 -7.890 159 HG13 ILE 24 3HG1 ILE 24 16.537 23.217 -8.553 160 HG21 ILE 24 1HG2 ILE 24 15.598 24.877 -4.928 161 HG22 ILE 24 2HG2 ILE 24 15.198 25.373 -6.572 162 HG23 ILE 24 3HG2 ILE 24 14.397 23.976 -5.854 163 HD11 ILE 24 1HD1 ILE 24 17.086 21.092 -7.777 164 HD12 ILE 24 2HD1 ILE 24 15.740 21.062 -6.636 165 HD13 ILE 24 3HD1 ILE 24 15.432 20.929 -8.367 166 H ASP 25 H ASP 25 17.618 26.919 -6.252 167 HA ASP 25 HA ASP 25 19.137 26.713 -3.765 168 HB2 ASP 25 2HB ASP 25 18.218 29.182 -5.252 169 HB3 ASP 25 3HB ASP 25 19.339 29.139 -3.894 170 H ALA 26 H ALA 26 18.330 28.596 -2.156 171 HA ALA 26 HA ALA 26 15.856 27.639 -1.119 172 HB1 ALA 26 1HB ALA 26 17.859 29.677 -0.302 173 HB2 ALA 26 2HB ALA 26 16.249 29.753 0.414 174 HB3 ALA 26 3HB ALA 26 17.223 28.294 0.588 175 H GLU 27 H GLU 27 16.846 30.557 -2.841 176 HA GLU 27 HA GLU 27 14.490 32.037 -2.529 177 HB2 GLU 27 2HB GLU 27 15.221 33.244 -4.578 178 HB3 GLU 27 3HB GLU 27 16.486 33.090 -3.368 179 HG2 GLU 27 2HG GLU 27 17.379 31.150 -4.639 180 HG3 GLU 27 3HG GLU 27 16.188 31.487 -5.894 181 H GLU 28 H GLU 28 15.433 29.677 -4.996 182 HA GLU 28 HA GLU 28 13.160 29.974 -6.633 183 HB2 GLU 28 2HB GLU 28 15.258 28.845 -7.331 184 HB3 GLU 28 3HB GLU 28 14.871 27.510 -6.253 185 HG2 GLU 28 2HG GLU 28 14.112 26.679 -8.232 186 HG3 GLU 28 3HG GLU 28 12.645 27.447 -7.629 187 H MET 29 H MET 29 13.888 27.653 -4.039 188 HA MET 29 HA MET 29 11.531 26.173 -4.165 189 HB2 MET 29 2HB MET 29 13.542 25.569 -2.830 190 HB3 MET 29 3HB MET 29 13.121 26.830 -1.679 191 HG2 MET 29 2HG MET 29 11.614 25.550 -0.665 192 HG3 MET 29 3HG MET 29 10.921 25.009 -2.192 193 HE1 MET 29 1HE MET 29 12.813 24.544 0.724 194 HE2 MET 29 2HE MET 29 13.029 22.795 0.807 195 HE3 MET 29 3HE MET 29 14.334 23.817 0.203 196 H ALA 30 H ALA 30 12.274 29.091 -2.285 197 HA ALA 30 HA ALA 30 9.813 29.269 -0.939 198 HB1 ALA 30 1HB ALA 30 10.854 31.881 -1.424 199 HB2 ALA 30 2HB ALA 30 10.873 30.938 0.067 200 HB3 ALA 30 3HB ALA 30 12.192 30.780 -1.094 201 H LEU 31 H LEU 31 10.915 30.695 -3.996 202 HA LEU 31 HA LEU 31 8.672 32.249 -4.557 203 HB2 LEU 31 2HB LEU 31 11.028 31.448 -5.889 204 HB3 LEU 31 3HB LEU 31 9.683 31.095 -6.971 205 HG LEU 31 HG LEU 31 10.707 33.306 -7.370 206 HD11 LEU 31 1HD1 LEU 31 8.118 32.641 -7.485 207 HD12 LEU 31 2HD1 LEU 31 8.727 34.232 -7.942 208 HD13 LEU 31 3HD1 LEU 31 8.022 33.983 -6.345 209 HD21 LEU 31 1HD2 LEU 31 11.201 34.692 -5.711 210 HD22 LEU 31 2HD2 LEU 31 10.628 33.480 -4.565 211 HD23 LEU 31 3HD2 LEU 31 9.520 34.710 -5.176 212 H ALA 32 H ALA 32 9.382 28.915 -5.592 213 HA ALA 32 HA ALA 32 7.001 28.450 -6.974 214 HB1 ALA 32 1HB ALA 32 8.990 26.999 -7.093 215 HB2 ALA 32 2HB ALA 32 8.645 26.425 -5.461 216 HB3 ALA 32 3HB ALA 32 7.510 26.095 -6.770 217 H MET 33 H MET 33 7.822 27.729 -3.585 218 HA MET 33 HA MET 33 5.451 26.538 -2.806 219 HB2 MET 33 2HB MET 33 7.399 28.262 -1.287 220 HB3 MET 33 3HB MET 33 6.010 27.517 -0.508 221 HG2 MET 33 2HG MET 33 8.108 25.981 -2.017 222 HG3 MET 33 3HG MET 33 8.147 26.261 -0.277 223 HE1 MET 33 1HE MET 33 5.760 23.182 -2.576 224 HE2 MET 33 2HE MET 33 6.346 24.697 -3.262 225 HE3 MET 33 3HE MET 33 7.493 23.504 -2.651 226 H LYS 34 H LYS 34 6.270 29.983 -2.923 227 HA LYS 34 HA LYS 34 3.866 30.933 -1.795 228 HB2 LYS 34 2HB LYS 34 6.017 32.227 -2.108 229 HB3 LYS 34 3HB LYS 34 5.584 32.391 -3.805 230 HG2 LYS 34 2HG LYS 34 3.515 33.545 -3.143 231 HG3 LYS 34 3HG LYS 34 4.015 33.430 -1.454 232 HD2 LYS 34 2HD LYS 34 5.723 34.739 -3.555 233 HD3 LYS 34 3HD LYS 34 4.495 35.625 -2.649 234 HE2 LYS 34 2HE LYS 34 5.974 34.190 -0.747 235 HE3 LYS 34 3HE LYS 34 7.156 34.871 -1.864 236 HZ1 LYS 34 1HZ LYS 34 6.705 36.958 -1.208 237 HZ2 LYS 34 2HZ LYS 34 6.145 36.206 0.199 238 HZ3 LYS 34 3HZ LYS 34 5.050 36.673 -1.003 239 H GLY 35 H GLY 35 4.878 30.555 -5.189 240 HA2 GLY 35 2HA GLY 35 2.571 31.538 -6.403 241 HA3 GLY 35 3HA GLY 35 3.646 30.342 -7.113 242 H LEU 36 H LEU 36 3.235 28.329 -5.107 243 HA LEU 36 HA LEU 36 0.788 27.214 -6.134 244 HB2 LEU 36 2HB LEU 36 2.867 26.206 -4.208 245 HB3 LEU 36 3HB LEU 36 1.417 25.290 -4.614 246 HG LEU 36 HG LEU 36 3.005 26.173 -6.925 247 HD11 LEU 36 1HD1 LEU 36 4.588 25.446 -4.923 248 HD12 LEU 36 2HD1 LEU 36 4.909 24.979 -6.592 249 HD13 LEU 36 3HD1 LEU 36 4.138 23.838 -5.490 250 HD21 LEU 36 1HD2 LEU 36 1.420 23.827 -6.031 251 HD22 LEU 36 2HD2 LEU 36 2.671 23.563 -7.246 252 HD23 LEU 36 3HD2 LEU 36 1.371 24.716 -7.553 253 H GLY 37 H GLY 37 1.812 28.839 -3.250 254 HA2 GLY 37 2HA GLY 37 0.600 29.622 -1.460 255 HA3 GLY 37 3HA GLY 37 -0.855 29.173 -2.338 256 H PHE 38 H PHE 38 1.501 26.721 -1.785 257 HA PHE 38 HA PHE 38 -0.011 25.713 0.524 258 HB2 PHE 38 2HB PHE 38 -0.078 24.613 -2.087 259 HB3 PHE 38 3HB PHE 38 0.866 23.511 -1.090 260 HD1 PHE 38 HD1 PHE 38 -0.155 22.181 0.586 261 HD2 PHE 38 HD2 PHE 38 -2.410 25.146 -1.474 262 HE1 PHE 38 HE1 PHE 38 -2.231 21.245 1.519 263 HE2 PHE 38 HE2 PHE 38 -4.489 24.216 -0.544 264 HZ PHE 38 HZ PHE 38 -4.401 22.263 0.955 265 H GLY 39 H GLY 39 1.175 24.640 2.059 266 HA2 GLY 39 2HA GLY 39 3.036 24.000 3.241 267 HA3 GLY 39 3HA GLY 39 3.730 23.536 1.694 268 H ASP 40 H ASP 40 2.750 26.762 2.772 269 HA ASP 40 HA ASP 40 5.325 27.814 1.992 270 HB2 ASP 40 2HB ASP 40 2.678 28.853 2.360 271 HB3 ASP 40 3HB ASP 40 3.806 29.801 3.324 272 H LEU 41 H LEU 41 6.995 27.592 3.326 273 HA LEU 41 HA LEU 41 6.537 27.777 6.223 274 HB2 LEU 41 2HB LEU 41 8.603 26.436 4.537 275 HB3 LEU 41 3HB LEU 41 9.000 26.896 6.191 276 HG LEU 41 HG LEU 41 8.332 24.545 6.017 277 HD11 LEU 41 1HD1 LEU 41 6.676 24.552 7.807 278 HD12 LEU 41 2HD1 LEU 41 6.342 26.256 7.500 279 HD13 LEU 41 3HD1 LEU 41 7.928 25.762 8.092 280 HD21 LEU 41 1HD2 LEU 41 6.569 25.317 4.143 281 HD22 LEU 41 2HD2 LEU 41 5.499 25.222 5.541 282 HD23 LEU 41 3HD2 LEU 41 6.431 23.808 5.045 283 HA PRO 42 HA PRO 42 8.696 31.577 6.607 284 HB2 PRO 42 2HB PRO 42 10.073 31.223 8.920 285 HB3 PRO 42 3HB PRO 42 8.321 31.447 8.870 286 HG2 PRO 42 2HG PRO 42 9.901 28.917 9.119 287 HG3 PRO 42 3HG PRO 42 8.438 29.413 9.991 288 HD2 PRO 42 2HD PRO 42 8.375 27.699 7.895 289 HD3 PRO 42 3HD PRO 42 7.049 28.826 8.247 290 H ARG 43 H ARG 43 10.865 32.577 6.819 291 HA ARG 43 HA ARG 43 12.713 31.403 5.060 292 HB2 ARG 43 2HB ARG 43 14.200 33.249 5.674 293 HB3 ARG 43 3HB ARG 43 12.561 33.821 5.394 294 HG2 ARG 43 2HG ARG 43 12.904 34.935 7.310 295 HG3 ARG 43 3HG ARG 43 12.470 33.394 8.052 296 HD2 ARG 43 2HD ARG 43 15.085 32.973 7.684 297 HD3 ARG 43 3HD ARG 43 15.102 34.730 7.833 298 HE ARG 43 HE ARG 43 14.683 32.838 9.924 299 HH11 ARG 43 1HH1 ARG 43 13.846 36.036 8.832 300 HH12 ARG 43 2HH1 ARG 43 13.530 36.639 10.425 301 HH21 ARG 43 1HH2 ARG 43 14.270 33.620 12.027 302 HH22 ARG 43 2HH2 ARG 43 13.772 35.264 12.242 303 H ASP 44 H ASP 44 12.541 31.492 8.576 304 HA ASP 44 HA ASP 44 15.095 30.508 9.158 305 HB2 ASP 44 2HB ASP 44 14.246 29.980 11.340 306 HB3 ASP 44 3HB ASP 44 13.466 31.468 10.810 307 H GLU 45 H GLU 45 12.096 28.838 8.354 308 HA GLU 45 HA GLU 45 13.024 26.221 8.915 309 HB2 GLU 45 2HB GLU 45 10.600 27.149 8.486 310 HB3 GLU 45 3HB GLU 45 10.958 26.741 6.814 311 HG2 GLU 45 2HG GLU 45 11.549 24.639 8.781 312 HG3 GLU 45 3HG GLU 45 9.845 25.046 8.585 313 H VAL 46 H VAL 46 13.208 28.296 6.100 314 HA VAL 46 HA VAL 46 14.036 26.291 4.260 315 HB VAL 46 HB VAL 46 14.557 29.263 4.114 316 HG11 VAL 46 1HG1 VAL 46 15.100 27.014 2.339 317 HG12 VAL 46 2HG1 VAL 46 14.193 28.314 1.563 318 HG13 VAL 46 3HG1 VAL 46 15.749 28.653 2.323 319 HG21 VAL 46 1HG2 VAL 46 12.273 29.255 4.226 320 HG22 VAL 46 2HG2 VAL 46 12.489 28.985 2.496 321 HG23 VAL 46 3HG2 VAL 46 12.135 27.626 3.563 322 H GLU 47 H GLU 47 15.816 28.763 6.102 323 HA GLU 47 HA GLU 47 18.378 28.032 5.185 324 HB2 GLU 47 2HB GLU 47 19.205 29.287 7.165 325 HB3 GLU 47 3HB GLU 47 18.028 30.183 6.215 326 HG2 GLU 47 2HG GLU 47 16.283 29.561 7.833 327 HG3 GLU 47 3HG GLU 47 17.503 28.737 8.802 328 H ARG 48 H ARG 48 16.455 26.978 7.951 329 HA ARG 48 HA ARG 48 18.480 25.429 9.181 330 HB2 ARG 48 2HB ARG 48 16.320 26.240 10.235 331 HB3 ARG 48 3HB ARG 48 15.510 24.939 9.372 332 HG2 ARG 48 2HG ARG 48 16.763 23.283 10.563 333 HG3 ARG 48 3HG ARG 48 17.771 24.522 11.313 334 HD2 ARG 48 2HD ARG 48 14.804 24.575 11.677 335 HD3 ARG 48 3HD ARG 48 15.792 23.480 12.643 336 HE ARG 48 HE ARG 48 16.921 26.029 12.797 337 HH11 ARG 48 1HH1 ARG 48 14.020 24.366 13.767 338 HH12 ARG 48 2HH1 ARG 48 13.751 25.371 15.152 339 HH21 ARG 48 1HH2 ARG 48 16.577 27.359 14.618 340 HH22 ARG 48 2HH2 ARG 48 15.205 27.073 15.635 341 H THR 49 H THR 49 15.892 24.627 6.897 342 HA THR 49 HA THR 49 16.339 21.850 6.824 343 HB THR 49 HB THR 49 15.238 22.018 4.517 344 HG1 THR 49 HG1 THR 49 14.181 24.128 4.252 345 HG21 THR 49 1HG2 THR 49 13.044 22.896 5.631 346 HG22 THR 49 2HG2 THR 49 14.017 22.898 7.102 347 HG23 THR 49 3HG2 THR 49 13.780 21.400 6.203 348 H VAL 50 H VAL 50 17.641 24.496 4.860 349 HA VAL 50 HA VAL 50 19.091 22.860 3.061 350 HB VAL 50 HB VAL 50 19.602 25.731 3.853 351 HG11 VAL 50 1HG1 VAL 50 20.521 25.556 1.344 352 HG12 VAL 50 2HG1 VAL 50 21.539 25.297 2.762 353 HG13 VAL 50 3HG1 VAL 50 20.868 23.916 1.893 354 HG21 VAL 50 1HG2 VAL 50 18.425 25.221 1.243 355 HG22 VAL 50 2HG2 VAL 50 17.401 24.675 2.571 356 HG23 VAL 50 3HG2 VAL 50 17.935 26.354 2.502 357 H ARG 51 H ARG 51 19.940 24.428 6.113 358 HA ARG 51 HA ARG 51 22.696 23.838 6.054 359 HB2 ARG 51 2HB ARG 51 21.515 25.485 7.574 360 HB3 ARG 51 3HB ARG 51 21.001 24.105 8.536 361 HG2 ARG 51 2HG ARG 51 23.892 24.334 7.953 362 HG3 ARG 51 3HG ARG 51 23.196 25.504 9.076 363 HD2 ARG 51 2HD ARG 51 22.788 22.534 9.339 364 HD3 ARG 51 3HD ARG 51 24.131 23.388 10.100 365 HE ARG 51 HE ARG 51 21.431 23.320 10.991 366 HH11 ARG 51 1HH1 ARG 51 24.254 25.350 10.818 367 HH12 ARG 51 2HH1 ARG 51 23.822 26.292 12.206 368 HH21 ARG 51 1HH2 ARG 51 20.852 24.553 12.821 369 HH22 ARG 51 2HH2 ARG 51 21.887 25.837 13.345 370 H SER 52 H SER 52 19.926 22.095 7.408 371 HA SER 52 HA SER 52 21.417 20.018 8.610 372 HB2 SER 52 2HB SER 52 18.565 19.925 7.598 373 HB3 SER 52 3HB SER 52 19.293 18.829 8.773 374 HG SER 52 HG SER 52 18.252 21.320 9.131 375 H MET 53 H MET 53 19.629 20.125 5.529 376 HA MET 53 HA MET 53 20.361 17.564 4.650 377 HB2 MET 53 2HB MET 53 19.551 20.042 3.133 378 HB3 MET 53 3HB MET 53 19.820 18.489 2.353 379 HG2 MET 53 2HG MET 53 18.081 17.524 3.864 380 HG3 MET 53 3HG MET 53 17.739 19.162 4.415 381 HE1 MET 53 1HE MET 53 17.053 20.976 1.214 382 HE2 MET 53 2HE MET 53 15.788 20.847 2.436 383 HE3 MET 53 3HE MET 53 17.475 21.012 2.927 384 H ASN 54 H ASN 54 21.635 20.685 3.471 385 HA ASN 54 HA ASN 54 23.990 19.342 2.433 386 HB2 ASN 54 2HB ASN 54 22.608 21.352 1.392 387 HB3 ASN 54 3HB ASN 54 23.699 22.314 2.386 388 HD21 ASN 54 1HD2 ASN 54 24.465 23.163 0.364 389 HD22 ASN 54 2HD2 ASN 54 25.641 22.283 -0.546 390 H THR 55 H THR 55 25.390 18.784 4.004 391 HA THR 55 HA THR 55 25.835 20.027 6.430 392 HB THR 55 HB THR 55 26.731 17.813 5.922 393 HG1 THR 55 HG1 THR 55 28.385 18.116 7.250 394 HG21 THR 55 1HG2 THR 55 28.702 17.523 4.530 395 HG22 THR 55 2HG2 THR 55 28.741 19.252 4.185 396 HG23 THR 55 3HG2 THR 55 27.407 18.263 3.590 397 H ASN 56 H ASN 56 27.031 20.876 3.268 398 HA ASN 56 HA ASN 56 28.550 23.094 4.474 399 HB2 ASN 56 2HB ASN 56 29.101 21.412 2.047 400 HB3 ASN 56 3HB ASN 56 29.761 23.040 2.170 401 HD21 ASN 56 1HD2 ASN 56 31.008 20.333 2.177 402 HD22 ASN 56 2HD2 ASN 56 31.998 20.306 3.592 403 H ALA 57 H ALA 57 27.199 24.793 4.392 404 HA ALA 57 HA ALA 57 25.253 25.221 2.386 405 HB1 ALA 57 1HB ALA 57 24.786 27.257 3.455 406 HB2 ALA 57 2HB ALA 57 25.311 26.176 4.746 407 HB3 ALA 57 3HB ALA 57 26.420 27.389 4.106 408 H ASN 58 H ASN 58 26.035 25.267 0.327 409 HA ASN 58 HA ASN 58 27.969 27.400 -0.299 410 HB2 ASN 58 2HB ASN 58 28.164 24.631 -0.832 411 HB3 ASN 58 3HB ASN 58 27.851 25.417 -2.377 412 HD21 ASN 58 1HD2 ASN 58 29.398 26.679 -3.294 413 HD22 ASN 58 2HD2 ASN 58 30.995 26.849 -2.658 414 H GLY 59 H GLY 59 24.861 26.993 -0.305 415 HA2 GLY 59 2HA GLY 59 23.189 28.097 -1.456 416 HA3 GLY 59 3HA GLY 59 24.413 28.717 -2.554 417 H LEU 60 H LEU 60 24.282 25.310 -2.051 418 HA LEU 60 HA LEU 60 22.690 24.921 -4.479 419 HB2 LEU 60 2HB LEU 60 25.272 24.967 -4.824 420 HB3 LEU 60 3HB LEU 60 25.212 23.360 -4.103 421 HG LEU 60 HG LEU 60 23.270 23.381 -6.139 422 HD11 LEU 60 1HD1 LEU 60 24.765 25.440 -6.816 423 HD12 LEU 60 2HD1 LEU 60 24.197 24.284 -8.021 424 HD13 LEU 60 3HD1 LEU 60 25.844 24.173 -7.400 425 HD21 LEU 60 1HD2 LEU 60 24.367 21.504 -6.826 426 HD22 LEU 60 2HD2 LEU 60 25.038 21.651 -5.201 427 HD23 LEU 60 3HD2 LEU 60 25.965 22.215 -6.593 428 H ILE 61 H ILE 61 21.382 23.178 -4.417 429 HA ILE 61 HA ILE 61 21.669 21.366 -2.110 430 HB ILE 61 HB ILE 61 19.111 22.100 -3.537 431 HG12 ILE 61 2HG1 ILE 61 20.076 22.959 -0.802 432 HG13 ILE 61 3HG1 ILE 61 20.110 23.978 -2.236 433 HG21 ILE 61 1HG2 ILE 61 18.582 21.052 -1.003 434 HG22 ILE 61 2HG2 ILE 61 18.299 20.277 -2.561 435 HG23 ILE 61 3HG2 ILE 61 19.813 19.999 -1.701 436 HD11 ILE 61 1HD1 ILE 61 18.052 24.637 -1.795 437 HD12 ILE 61 2HD1 ILE 61 17.483 22.975 -1.965 438 HD13 ILE 61 3HD1 ILE 61 18.000 23.573 -0.389 439 H GLU 62 H GLU 62 21.823 19.240 -2.484 440 HA GLU 62 HA GLU 62 21.882 18.331 -5.240 441 HB2 GLU 62 2HB GLU 62 22.593 17.002 -2.625 442 HB3 GLU 62 3HB GLU 62 22.647 16.166 -4.171 443 HG2 GLU 62 2HG GLU 62 24.076 18.651 -4.333 444 HG3 GLU 62 3HG GLU 62 24.662 17.687 -2.978 445 H TYR 63 H TYR 63 20.535 16.828 -6.149 446 HA TYR 63 HA TYR 63 17.880 16.707 -5.258 447 HB2 TYR 63 2HB TYR 63 17.549 15.044 -7.034 448 HB3 TYR 63 3HB TYR 63 18.503 16.407 -7.609 449 HD1 TYR 63 HD1 TYR 63 18.520 12.840 -6.827 450 HD2 TYR 63 HD2 TYR 63 20.880 16.139 -8.110 451 HE1 TYR 63 HE1 TYR 63 20.271 11.286 -7.583 452 HE2 TYR 63 HE2 TYR 63 22.637 14.595 -8.870 453 HH TYR 63 HH TYR 63 22.542 11.200 -8.137 454 H GLY 64 H GLY 64 20.587 14.490 -4.847 455 HA2 GLY 64 2HA GLY 64 19.163 12.287 -3.840 456 HA3 GLY 64 3HA GLY 64 20.855 12.638 -3.520 457 H GLU 65 H GLU 65 20.829 14.895 -2.071 458 HA GLU 65 HA GLU 65 19.997 13.986 0.484 459 HB2 GLU 65 2HB GLU 65 20.968 16.704 -0.415 460 HB3 GLU 65 3HB GLU 65 20.746 16.228 1.263 461 HG2 GLU 65 2HG GLU 65 22.719 15.124 -0.715 462 HG3 GLU 65 3HG GLU 65 23.054 16.033 0.758 463 H PHE 66 H PHE 66 18.586 16.093 -1.908 464 HA PHE 66 HA PHE 66 16.690 17.376 -0.254 465 HB2 PHE 66 2HB PHE 66 17.357 18.091 -2.575 466 HB3 PHE 66 3HB PHE 66 16.387 16.760 -3.197 467 HD1 PHE 66 HD1 PHE 66 14.494 17.589 -4.192 468 HD2 PHE 66 HD2 PHE 66 15.801 19.282 -0.512 469 HE1 PHE 66 HE1 PHE 66 12.497 19.025 -4.147 470 HE2 PHE 66 HE2 PHE 66 13.805 20.720 -0.461 471 HZ PHE 66 HZ PHE 66 12.149 20.592 -2.279 472 H GLU 67 H GLU 67 16.249 14.673 -2.544 473 HA GLU 67 HA GLU 67 13.619 14.076 -1.734 474 HB2 GLU 67 2HB GLU 67 13.928 11.960 -2.943 475 HB3 GLU 67 3HB GLU 67 14.507 13.332 -3.878 476 HG2 GLU 67 2HG GLU 67 16.807 12.710 -2.799 477 HG3 GLU 67 3HG GLU 67 16.042 11.137 -2.583 478 H ARG 68 H ARG 68 16.758 12.844 -0.694 479 HA ARG 68 HA ARG 68 15.870 10.726 0.902 480 HB2 ARG 68 2HB ARG 68 18.205 10.942 0.339 481 HB3 ARG 68 3HB ARG 68 18.306 12.492 1.164 482 HG2 ARG 68 2HG ARG 68 17.827 11.336 3.300 483 HG3 ARG 68 3HG ARG 68 17.870 9.799 2.435 484 HD2 ARG 68 2HD ARG 68 20.214 11.039 1.669 485 HD3 ARG 68 3HD ARG 68 20.052 11.482 3.367 486 HE ARG 68 HE ARG 68 20.466 9.303 3.943 487 HH11 ARG 68 1HH1 ARG 68 19.738 9.477 0.543 488 HH12 ARG 68 2HH1 ARG 68 20.170 7.828 0.234 489 HH21 ARG 68 1HH2 ARG 68 21.037 7.131 3.548 490 HH22 ARG 68 2HH2 ARG 68 20.908 6.494 1.944 491 H MET 69 H MET 69 16.452 14.131 1.723 492 HA MET 69 HA MET 69 15.821 13.889 4.465 493 HB2 MET 69 2HB MET 69 17.072 15.794 3.708 494 HB3 MET 69 3HB MET 69 15.789 16.264 2.601 495 HG2 MET 69 2HG MET 69 15.756 17.717 4.499 496 HG3 MET 69 3HG MET 69 14.322 16.693 4.536 497 HE1 MET 69 1HE MET 69 18.133 16.755 6.355 498 HE2 MET 69 2HE MET 69 17.104 18.168 6.118 499 HE3 MET 69 3HE MET 69 17.254 17.444 7.720 500 H VAL 70 H VAL 70 13.887 15.056 1.710 501 HA VAL 70 HA VAL 70 11.536 15.645 3.025 502 HB VAL 70 HB VAL 70 11.800 14.407 0.282 503 HG11 VAL 70 1HG1 VAL 70 9.543 15.939 1.566 504 HG12 VAL 70 2HG1 VAL 70 9.637 15.547 -0.152 505 HG13 VAL 70 3HG1 VAL 70 9.524 14.255 1.044 506 HG21 VAL 70 1HG2 VAL 70 11.274 17.241 0.355 507 HG22 VAL 70 2HG2 VAL 70 12.760 16.852 1.222 508 HG23 VAL 70 3HG2 VAL 70 12.567 16.360 -0.460 509 H LYS 71 H LYS 71 12.591 12.514 1.729 510 HA LYS 71 HA LYS 71 10.265 11.071 2.350 511 HB2 LYS 71 2HB LYS 71 11.868 10.128 0.840 512 HB3 LYS 71 3HB LYS 71 13.140 10.198 2.053 513 HG2 LYS 71 2HG LYS 71 10.833 8.637 2.904 514 HG3 LYS 71 3HG LYS 71 11.611 8.007 1.450 515 HD2 LYS 71 2HD LYS 71 13.164 8.751 3.916 516 HD3 LYS 71 3HD LYS 71 12.474 7.143 3.683 517 HE2 LYS 71 2HE LYS 71 13.716 7.355 1.353 518 HE3 LYS 71 3HE LYS 71 14.721 8.479 2.267 519 HZ1 LYS 71 1HZ LYS 71 14.861 6.593 3.965 520 HZ2 LYS 71 2HZ LYS 71 15.763 6.441 2.542 521 HZ3 LYS 71 3HZ LYS 71 14.310 5.591 2.718 522 H SER 72 H SER 72 12.972 12.066 4.300 523 HA SER 72 HA SER 72 12.474 10.268 6.466 524 HB2 SER 72 2HB SER 72 14.691 11.328 6.034 525 HB3 SER 72 3HB SER 72 14.002 12.882 6.504 526 HG SER 72 HG SER 72 15.137 11.684 8.196 527 H ARG 73 H ARG 73 11.937 13.768 6.049 528 HA ARG 73 HA ARG 73 10.593 14.193 8.462 529 HB2 ARG 73 2HB ARG 73 9.659 16.222 7.335 530 HB3 ARG 73 3HB ARG 73 11.406 16.066 7.206 531 HG2 ARG 73 2HG ARG 73 11.125 15.152 4.932 532 HG3 ARG 73 3HG ARG 73 9.386 15.421 5.070 533 HD2 ARG 73 2HD ARG 73 10.229 17.865 5.717 534 HD3 ARG 73 3HD ARG 73 11.595 17.367 4.719 535 HE ARG 73 HE ARG 73 9.218 16.783 3.353 536 HH11 ARG 73 1HH1 ARG 73 11.087 19.524 4.407 537 HH12 ARG 73 2HH1 ARG 73 10.546 20.552 3.122 538 HH21 ARG 73 1HH2 ARG 73 8.498 18.127 1.656 539 HH22 ARG 73 2HH2 ARG 73 9.072 19.757 1.559 540 H MET 74 H MET 74 9.358 13.307 5.263 541 HA MET 74 HA MET 74 6.614 13.381 6.033 542 HB2 MET 74 2HB MET 74 7.970 12.025 3.696 543 HB3 MET 74 3HB MET 74 6.230 12.191 3.886 544 HG2 MET 74 2HG MET 74 8.178 14.475 3.672 545 HG3 MET 74 3HG MET 74 7.185 13.852 2.357 546 HE1 MET 74 1HE MET 74 4.496 13.826 2.472 547 HE2 MET 74 2HE MET 74 4.496 13.168 4.109 548 HE3 MET 74 3HE MET 74 3.566 14.622 3.743 549 H ALA 75 H ALA 75 9.121 10.950 6.072 550 HA ALA 75 HA ALA 75 7.635 8.621 6.270 551 HB1 ALA 75 1HB ALA 75 10.339 9.453 6.905 552 HB2 ALA 75 2HB ALA 75 9.745 8.213 8.011 553 HB3 ALA 75 3HB ALA 75 9.748 7.917 6.272 554 H GLN 76 H GLN 76 8.252 11.088 8.676 555 HA GLN 76 HA GLN 76 7.321 9.575 10.907 556 HB2 GLN 76 2HB GLN 76 8.808 11.433 11.285 557 HB3 GLN 76 3HB GLN 76 7.694 12.544 10.501 558 HG2 GLN 76 2HG GLN 76 7.594 12.814 12.893 559 HG3 GLN 76 3HG GLN 76 6.068 12.166 12.292 560 HE21 GLN 76 1HE2 GLN 76 8.389 11.872 14.621 561 HE22 GLN 76 2HE2 GLN 76 8.054 10.263 15.153 562 H LYS 77 H LYS 77 5.845 11.886 8.687 563 HA LYS 77 HA LYS 77 3.325 11.904 10.066 564 HB2 LYS 77 2HB LYS 77 4.488 13.198 7.687 565 HB3 LYS 77 3HB LYS 77 2.760 12.885 7.587 566 HG2 LYS 77 2HG LYS 77 2.759 14.975 8.504 567 HG3 LYS 77 3HG LYS 77 2.737 13.985 9.965 568 HD2 LYS 77 2HD LYS 77 4.900 14.497 10.508 569 HD3 LYS 77 3HD LYS 77 5.379 14.737 8.826 570 HE2 LYS 77 2HE LYS 77 3.612 16.609 10.398 571 HE3 LYS 77 3HE LYS 77 5.344 16.830 10.157 572 HZ1 LYS 77 1HZ LYS 77 4.348 18.125 8.518 573 HZ2 LYS 77 2HZ LYS 77 3.181 16.958 8.149 574 HZ3 LYS 77 3HZ LYS 77 4.791 16.717 7.691 575 H ASP 78 H ASP 78 1.346 11.054 9.285 576 HA ASP 78 HA ASP 78 1.487 9.066 7.152 577 HB2 ASP 78 2HB ASP 78 0.557 8.423 9.958 578 HB3 ASP 78 3HB ASP 78 0.381 7.358 8.567 579 H SER 79 H SER 79 -0.857 8.012 7.008 580 HA SER 79 HA SER 79 -2.583 10.016 6.143 581 HB2 SER 79 2HB SER 79 -3.993 7.593 6.949 582 HB3 SER 79 3HB SER 79 -3.783 8.288 5.342 583 HG SER 79 HG SER 79 -1.964 7.148 5.065 584 HA PRO 80 HA PRO 80 -4.785 11.469 9.647 585 HB2 PRO 80 2HB PRO 80 -7.319 11.691 8.698 586 HB3 PRO 80 3HB PRO 80 -6.013 12.780 8.215 587 HG2 PRO 80 2HG PRO 80 -7.124 10.400 6.779 588 HG3 PRO 80 3HG PRO 80 -6.673 11.987 6.130 589 HD2 PRO 80 2HD PRO 80 -5.073 9.814 5.908 590 HD3 PRO 80 3HD PRO 80 -4.429 11.461 6.063 591 H GLU 81 H GLU 81 -6.304 8.726 7.993 592 HA GLU 81 HA GLU 81 -7.992 7.978 10.143 593 HB2 GLU 81 2HB GLU 81 -6.954 6.458 7.754 594 HB3 GLU 81 3HB GLU 81 -8.072 5.758 8.916 595 HG2 GLU 81 2HG GLU 81 -9.814 6.780 8.001 596 HG3 GLU 81 3HG GLU 81 -8.982 8.333 7.963 597 H GLU 82 H GLU 82 -4.746 6.991 9.156 598 HA GLU 82 HA GLU 82 -4.407 4.879 10.966 599 HB2 GLU 82 2HB GLU 82 -2.662 6.561 9.295 600 HB3 GLU 82 3HB GLU 82 -1.881 5.882 10.716 601 HG2 GLU 82 2HG GLU 82 -3.417 3.846 9.446 602 HG3 GLU 82 3HG GLU 82 -2.402 4.639 8.243 603 H VAL 83 H VAL 83 -3.434 8.294 11.254 604 HA VAL 83 HA VAL 83 -2.406 8.113 13.862 605 HB VAL 83 HB VAL 83 -3.637 10.523 12.516 606 HG11 VAL 83 1HG1 VAL 83 -2.296 10.111 15.100 607 HG12 VAL 83 2HG1 VAL 83 -1.712 11.484 14.157 608 HG13 VAL 83 3HG1 VAL 83 -3.418 11.371 14.589 609 HG21 VAL 83 1HG2 VAL 83 -1.466 11.067 11.722 610 HG22 VAL 83 2HG2 VAL 83 -0.724 9.775 12.666 611 HG23 VAL 83 3HG2 VAL 83 -1.755 9.381 11.290 612 H LEU 84 H LEU 84 -5.651 8.838 12.666 613 HA LEU 84 HA LEU 84 -6.825 9.601 15.085 614 HB2 LEU 84 2HB LEU 84 -7.801 8.543 12.495 615 HB3 LEU 84 3HB LEU 84 -8.909 8.468 13.863 616 HG LEU 84 HG LEU 84 -7.583 11.013 12.945 617 HD11 LEU 84 1HD1 LEU 84 -8.900 10.314 11.104 618 HD12 LEU 84 2HD1 LEU 84 -9.848 11.519 11.974 619 HD13 LEU 84 3HD1 LEU 84 -10.222 9.805 12.154 620 HD21 LEU 84 1HD2 LEU 84 -9.564 10.263 15.020 621 HD22 LEU 84 2HD2 LEU 84 -9.819 11.782 14.160 622 HD23 LEU 84 3HD2 LEU 84 -8.315 11.507 15.040 623 H LYS 85 H LYS 85 -6.832 6.398 13.517 624 HA LYS 85 HA LYS 85 -8.130 5.024 15.579 625 HB2 LYS 85 2HB LYS 85 -7.785 4.138 13.288 626 HB3 LYS 85 3HB LYS 85 -6.075 3.935 13.645 627 HG2 LYS 85 2HG LYS 85 -7.716 2.651 15.641 628 HG3 LYS 85 3HG LYS 85 -8.099 2.073 14.018 629 HD2 LYS 85 2HD LYS 85 -5.274 2.275 15.029 630 HD3 LYS 85 3HD LYS 85 -6.266 0.837 15.282 631 HE2 LYS 85 2HE LYS 85 -5.553 2.061 12.618 632 HE3 LYS 85 3HE LYS 85 -4.850 0.598 13.308 633 HZ1 LYS 85 1HZ LYS 85 -7.175 -0.313 13.330 634 HZ2 LYS 85 2HZ LYS 85 -6.495 -0.096 11.797 635 HZ3 LYS 85 3HZ LYS 85 -7.633 1.010 12.381 636 H ALA 86 H ALA 86 -4.696 5.656 15.023 637 HA ALA 86 HA ALA 86 -3.620 4.044 17.025 638 HB1 ALA 86 1HB ALA 86 -1.995 6.297 16.959 639 HB2 ALA 86 2HB ALA 86 -1.820 4.836 15.986 640 HB3 ALA 86 3HB ALA 86 -2.712 6.217 15.350 641 H PHE 87 H PHE 87 -4.440 7.513 17.203 642 HA PHE 87 HA PHE 87 -3.864 7.848 19.917 643 HB2 PHE 87 2HB PHE 87 -4.363 9.624 18.114 644 HB3 PHE 87 3HB PHE 87 -6.057 9.360 18.516 645 HD1 PHE 87 HD1 PHE 87 -6.961 10.896 19.945 646 HD2 PHE 87 HD2 PHE 87 -2.855 9.859 20.376 647 HE1 PHE 87 HE1 PHE 87 -6.762 12.476 21.820 648 HE2 PHE 87 HE2 PHE 87 -2.650 11.436 22.253 649 HZ PHE 87 HZ PHE 87 -4.605 12.747 22.978 650 H GLN 88 H GLN 88 -6.924 7.041 18.310 651 HA GLN 88 HA GLN 88 -8.601 7.046 20.514 652 HB2 GLN 88 2HB GLN 88 -9.218 6.727 18.069 653 HB3 GLN 88 3HB GLN 88 -8.785 5.035 18.274 654 HG2 GLN 88 2HG GLN 88 -10.538 5.739 20.383 655 HG3 GLN 88 3HG GLN 88 -11.234 6.332 18.875 656 HE21 GLN 88 1HE2 GLN 88 -11.370 4.764 17.095 657 HE22 GLN 88 2HE2 GLN 88 -11.711 3.114 17.480 658 H LEU 89 H LEU 89 -6.543 4.436 19.286 659 HA LEU 89 HA LEU 89 -7.373 2.497 21.176 660 HB2 LEU 89 2HB LEU 89 -6.302 1.855 19.109 661 HB3 LEU 89 3HB LEU 89 -4.840 2.731 19.559 662 HG LEU 89 HG LEU 89 -5.157 0.936 21.627 663 HD11 LEU 89 1HD1 LEU 89 -6.899 -0.039 19.848 664 HD12 LEU 89 2HD1 LEU 89 -5.942 -1.061 20.920 665 HD13 LEU 89 3HD1 LEU 89 -5.424 -0.802 19.254 666 HD21 LEU 89 1HD2 LEU 89 -3.512 0.860 19.110 667 HD22 LEU 89 2HD2 LEU 89 -3.301 -0.295 20.426 668 HD23 LEU 89 3HD2 LEU 89 -3.035 1.425 20.712 669 H PHE 90 H PHE 90 -4.633 4.746 21.077 670 HA PHE 90 HA PHE 90 -3.350 3.885 23.409 671 HB2 PHE 90 2HB PHE 90 -3.241 6.221 21.651 672 HB3 PHE 90 3HB PHE 90 -2.852 6.600 23.326 673 HD1 PHE 90 HD1 PHE 90 -2.023 4.133 20.660 674 HD2 PHE 90 HD2 PHE 90 -0.690 6.312 24.065 675 HE1 PHE 90 HE1 PHE 90 0.253 3.263 20.322 676 HE2 PHE 90 HE2 PHE 90 1.588 5.446 23.731 677 HZ PHE 90 HZ PHE 90 2.063 3.920 21.857 678 H ASP 91 H ASP 91 -6.066 6.045 22.922 679 HA ASP 91 HA ASP 91 -6.650 5.921 25.770 680 HB2 ASP 91 2HB ASP 91 -6.704 8.616 24.437 681 HB3 ASP 91 3HB ASP 91 -6.727 8.236 26.156 682 H LEU 92 H LEU 92 -8.681 5.256 25.885 683 HA LEU 92 HA LEU 92 -10.490 5.190 23.769 684 HB2 LEU 92 2HB LEU 92 -12.203 4.728 25.496 685 HB3 LEU 92 3HB LEU 92 -10.758 3.728 25.639 686 HG LEU 92 HG LEU 92 -10.572 6.097 27.292 687 HD11 LEU 92 1HD1 LEU 92 -12.898 4.244 27.788 688 HD12 LEU 92 2HD1 LEU 92 -12.994 5.955 27.372 689 HD13 LEU 92 3HD1 LEU 92 -12.296 5.461 28.914 690 HD21 LEU 92 1HD2 LEU 92 -9.471 3.657 27.269 691 HD22 LEU 92 2HD2 LEU 92 -10.763 3.378 28.437 692 HD23 LEU 92 3HD2 LEU 92 -9.576 4.652 28.721 693 H ASP 93 H ASP 93 -9.911 7.647 26.195 694 HA ASP 93 HA ASP 93 -12.148 9.240 25.170 695 HB2 ASP 93 2HB ASP 93 -10.410 9.579 27.621 696 HB3 ASP 93 3HB ASP 93 -11.661 10.718 27.134 697 H LYS 94 H LYS 94 -11.625 11.695 25.164 698 HA LYS 94 HA LYS 94 -9.042 12.087 23.798 699 HB2 LYS 94 2HB LYS 94 -10.277 13.919 22.524 700 HB3 LYS 94 3HB LYS 94 -10.672 12.258 22.103 701 HG2 LYS 94 2HG LYS 94 -12.380 13.305 24.204 702 HG3 LYS 94 3HG LYS 94 -12.460 14.257 22.720 703 HD2 LYS 94 2HD LYS 94 -13.252 12.476 21.467 704 HD3 LYS 94 3HD LYS 94 -12.617 11.272 22.592 705 HE2 LYS 94 2HE LYS 94 -14.554 11.206 23.678 706 HE3 LYS 94 3HE LYS 94 -14.505 12.948 23.943 707 HZ1 LYS 94 1HZ LYS 94 -15.487 11.667 21.452 708 HZ2 LYS 94 2HZ LYS 94 -15.564 13.310 21.845 709 HZ3 LYS 94 3HZ LYS 94 -16.487 12.188 22.713 710 H LYS 95 H LYS 95 -8.316 12.615 26.016 711 HA LYS 95 HA LYS 95 -9.315 14.979 27.289 712 HB2 LYS 95 2HB LYS 95 -7.343 14.705 28.779 713 HB3 LYS 95 3HB LYS 95 -8.326 13.252 28.651 714 HG2 LYS 95 2HG LYS 95 -6.440 12.963 26.646 715 HG3 LYS 95 3HG LYS 95 -5.541 13.671 27.990 716 HD2 LYS 95 2HD LYS 95 -6.945 11.818 29.326 717 HD3 LYS 95 3HD LYS 95 -6.845 11.024 27.753 718 HE2 LYS 95 2HE LYS 95 -4.498 10.986 27.801 719 HE3 LYS 95 3HE LYS 95 -4.421 12.181 29.095 720 HZ1 LYS 95 1HZ LYS 95 -5.008 10.628 30.679 721 HZ2 LYS 95 2HZ LYS 95 -4.021 9.718 29.650 722 HZ3 LYS 95 3HZ LYS 95 -5.704 9.569 29.559 723 H GLY 96 H GLY 96 -6.629 14.211 25.146 724 HA2 GLY 96 2HA GLY 96 -5.352 15.600 23.825 725 HA3 GLY 96 3HA GLY 96 -6.409 16.924 24.291 726 H LYS 97 H LYS 97 -5.046 15.213 26.902 727 HA LYS 97 HA LYS 97 -3.094 17.383 27.301 728 HB2 LYS 97 2HB LYS 97 -4.492 15.687 29.378 729 HB3 LYS 97 3HB LYS 97 -3.334 16.968 29.712 730 HG2 LYS 97 2HG LYS 97 -4.862 18.599 28.707 731 HG3 LYS 97 3HG LYS 97 -6.028 17.308 28.409 732 HD2 LYS 97 2HD LYS 97 -5.298 17.134 31.127 733 HD3 LYS 97 3HD LYS 97 -5.596 18.841 30.790 734 HE2 LYS 97 2HE LYS 97 -7.755 18.102 29.689 735 HE3 LYS 97 3HE LYS 97 -7.463 16.513 30.395 736 HZ1 LYS 97 1HZ LYS 97 -7.246 17.836 32.578 737 HZ2 LYS 97 2HZ LYS 97 -8.790 17.536 31.958 738 HZ3 LYS 97 3HZ LYS 97 -8.076 19.056 31.750 739 H ILE 98 H ILE 98 -1.249 16.526 26.465 740 HA ILE 98 HA ILE 98 -0.215 14.125 27.809 741 HB ILE 98 HB ILE 98 0.216 14.700 24.878 742 HG12 ILE 98 2HG1 ILE 98 -1.203 12.358 25.003 743 HG13 ILE 98 3HG1 ILE 98 -1.952 13.299 26.288 744 HG21 ILE 98 1HG2 ILE 98 0.904 12.208 25.021 745 HG22 ILE 98 2HG2 ILE 98 2.029 13.444 25.583 746 HG23 ILE 98 3HG2 ILE 98 1.072 12.528 26.747 747 HD11 ILE 98 1HD1 ILE 98 -3.020 14.600 24.838 748 HD12 ILE 98 2HD1 ILE 98 -1.577 14.828 23.848 749 HD13 ILE 98 3HD1 ILE 98 -2.586 13.399 23.622 750 H SER 99 H SER 99 1.772 14.358 28.617 751 HA SER 99 HA SER 99 3.087 16.863 28.545 752 HB2 SER 99 2HB SER 99 4.344 14.254 29.399 753 HB3 SER 99 3HB SER 99 4.726 15.879 29.968 754 HG SER 99 HG SER 99 3.335 14.493 31.347 755 H PHE 100 H PHE 100 4.653 17.637 27.267 756 HA PHE 100 HA PHE 100 5.218 16.551 24.781 757 HB2 PHE 100 2HB PHE 100 7.019 18.200 24.627 758 HB3 PHE 100 3HB PHE 100 5.582 18.917 25.350 759 HD1 PHE 100 HD1 PHE 100 5.546 19.545 27.690 760 HD2 PHE 100 HD2 PHE 100 9.027 17.857 25.914 761 HE1 PHE 100 HE1 PHE 100 6.884 20.284 29.618 762 HE2 PHE 100 HE2 PHE 100 10.370 18.593 27.840 763 HZ PHE 100 HZ PHE 100 9.299 19.807 29.695 764 H ALA 101 H ALA 101 6.894 16.144 27.842 765 HA ALA 101 HA ALA 101 9.224 14.906 26.862 766 HB1 ALA 101 1HB ALA 101 9.001 13.814 29.310 767 HB2 ALA 101 2HB ALA 101 9.580 15.455 29.021 768 HB3 ALA 101 3HB ALA 101 7.900 15.181 29.481 769 H ASN 102 H ASN 102 6.266 13.458 28.235 770 HA ASN 102 HA ASN 102 6.977 10.788 27.827 771 HB2 ASN 102 2HB ASN 102 4.379 12.229 28.183 772 HB3 ASN 102 3HB ASN 102 4.357 10.531 27.718 773 HD21 ASN 102 1HD2 ASN 102 3.319 11.531 30.119 774 HD22 ASN 102 2HD2 ASN 102 4.247 10.881 31.423 775 H LEU 103 H LEU 103 5.173 13.020 25.742 776 HA LEU 103 HA LEU 103 4.529 11.236 23.699 777 HB2 LEU 103 2HB LEU 103 3.486 13.347 23.696 778 HB3 LEU 103 3HB LEU 103 5.029 14.197 23.720 779 HG LEU 103 HG LEU 103 4.787 12.579 21.342 780 HD11 LEU 103 1HD1 LEU 103 2.427 12.833 21.499 781 HD12 LEU 103 2HD1 LEU 103 3.001 13.989 20.297 782 HD13 LEU 103 3HD1 LEU 103 2.575 14.539 21.918 783 HD21 LEU 103 1HD2 LEU 103 6.185 14.710 22.011 784 HD22 LEU 103 2HD2 LEU 103 4.786 15.556 21.349 785 HD23 LEU 103 3HD2 LEU 103 5.692 14.426 20.341 786 H LYS 104 H LYS 104 7.365 13.358 24.026 787 HA LYS 104 HA LYS 104 8.630 12.669 21.635 788 HB2 LYS 104 2HB LYS 104 9.357 14.568 22.958 789 HB3 LYS 104 3HB LYS 104 9.825 13.508 24.281 790 HG2 LYS 104 2HG LYS 104 11.150 12.712 21.863 791 HG3 LYS 104 3HG LYS 104 11.421 14.428 22.179 792 HD2 LYS 104 2HD LYS 104 11.659 12.695 24.536 793 HD3 LYS 104 3HD LYS 104 12.862 12.397 23.279 794 HE2 LYS 104 2HE LYS 104 12.250 15.108 24.449 795 HE3 LYS 104 3HE LYS 104 13.566 14.067 24.989 796 HZ1 LYS 104 1HZ LYS 104 13.511 15.843 22.805 797 HZ2 LYS 104 2HZ LYS 104 13.769 14.275 22.226 798 HZ3 LYS 104 3HZ LYS 104 14.808 14.928 23.391 799 H GLU 105 H GLU 105 9.097 11.305 24.893 800 HA GLU 105 HA GLU 105 11.025 9.416 24.289 801 HB2 GLU 105 2HB GLU 105 10.023 10.060 26.567 802 HB3 GLU 105 3HB GLU 105 8.783 8.864 26.219 803 HG2 GLU 105 2HG GLU 105 10.628 7.189 25.916 804 HG3 GLU 105 3HG GLU 105 11.734 8.409 26.544 805 H VAL 106 H VAL 106 7.489 9.020 24.231 806 HA VAL 106 HA VAL 106 7.410 6.353 23.427 807 HB VAL 106 HB VAL 106 5.439 8.522 22.695 808 HG11 VAL 106 1HG1 VAL 106 5.013 6.602 21.361 809 HG12 VAL 106 2HG1 VAL 106 5.233 5.518 22.736 810 HG13 VAL 106 3HG1 VAL 106 3.833 6.589 22.671 811 HG21 VAL 106 1HG2 VAL 106 4.770 8.568 24.813 812 HG22 VAL 106 2HG2 VAL 106 4.625 6.811 24.855 813 HG23 VAL 106 3HG2 VAL 106 6.168 7.577 25.231 814 H ALA 107 H ALA 107 7.542 9.312 21.482 815 HA ALA 107 HA ALA 107 7.246 8.163 18.956 816 HB1 ALA 107 1HB ALA 107 7.096 10.462 18.938 817 HB2 ALA 107 2HB ALA 107 8.524 10.671 19.952 818 HB3 ALA 107 3HB ALA 107 8.704 10.208 18.259 819 H LYS 108 H LYS 108 10.244 8.927 20.726 820 HA LYS 108 HA LYS 108 12.000 7.857 18.801 821 HB2 LYS 108 2HB LYS 108 12.343 8.280 21.773 822 HB3 LYS 108 3HB LYS 108 13.649 7.809 20.694 823 HG2 LYS 108 2HG LYS 108 12.052 10.263 20.111 824 HG3 LYS 108 3HG LYS 108 13.327 10.303 21.331 825 HD2 LYS 108 2HD LYS 108 14.625 9.066 19.311 826 HD3 LYS 108 3HD LYS 108 13.513 10.087 18.396 827 HE2 LYS 108 2HE LYS 108 14.309 12.051 19.598 828 HE3 LYS 108 3HE LYS 108 15.391 11.041 20.557 829 HZ1 LYS 108 1HZ LYS 108 15.628 10.891 17.649 830 HZ2 LYS 108 2HZ LYS 108 16.826 10.783 18.838 831 HZ3 LYS 108 3HZ LYS 108 16.201 12.294 18.401 832 H LEU 109 H LEU 109 10.210 6.406 21.427 833 HA LEU 109 HA LEU 109 11.607 3.992 21.667 834 HB2 LEU 109 2HB LEU 109 9.737 4.940 23.129 835 HB3 LEU 109 3HB LEU 109 8.628 4.242 21.951 836 HG LEU 109 HG LEU 109 10.017 2.050 22.487 837 HD11 LEU 109 1HD1 LEU 109 10.739 3.937 24.615 838 HD12 LEU 109 2HD1 LEU 109 11.554 2.474 24.065 839 HD13 LEU 109 3HD1 LEU 109 10.187 2.358 25.173 840 HD21 LEU 109 1HD2 LEU 109 8.143 2.653 24.664 841 HD22 LEU 109 2HD2 LEU 109 8.121 1.355 23.470 842 HD23 LEU 109 3HD2 LEU 109 7.518 2.957 23.043 843 H LEU 110 H LEU 110 9.241 5.075 19.334 844 HA LEU 110 HA LEU 110 8.599 2.554 18.231 845 HB2 LEU 110 2HB LEU 110 8.473 5.353 17.144 846 HB3 LEU 110 3HB LEU 110 7.956 3.952 16.208 847 HG LEU 110 HG LEU 110 6.771 4.524 18.902 848 HD11 LEU 110 1HD1 LEU 110 6.619 6.271 16.700 849 HD12 LEU 110 2HD1 LEU 110 5.675 6.312 18.188 850 HD13 LEU 110 3HD1 LEU 110 5.075 5.424 16.788 851 HD21 LEU 110 1HD2 LEU 110 6.323 2.349 17.956 852 HD22 LEU 110 2HD2 LEU 110 5.807 3.080 16.436 853 HD23 LEU 110 3HD2 LEU 110 4.857 3.328 17.902 854 H GLY 111 H GLY 111 11.425 4.428 18.086 855 HA2 GLY 111 2HA GLY 111 13.460 3.723 17.161 856 HA3 GLY 111 3HA GLY 111 12.584 2.562 16.175 857 H GLU 112 H GLU 112 11.394 5.786 16.206 858 HA GLU 112 HA GLU 112 12.312 6.116 13.443 859 HB2 GLU 112 2HB GLU 112 9.849 6.270 14.087 860 HB3 GLU 112 3HB GLU 112 10.252 7.792 14.868 861 HG2 GLU 112 2HG GLU 112 9.749 8.706 12.900 862 HG3 GLU 112 3HG GLU 112 11.345 8.145 12.406 863 H ASN 113 H ASN 113 13.647 7.719 12.823 864 HA ASN 113 HA ASN 113 14.536 9.609 14.903 865 HB2 ASN 113 2HB ASN 113 16.148 7.805 13.884 866 HB3 ASN 113 3HB ASN 113 16.227 8.924 12.526 867 HD21 ASN 113 1HD2 ASN 113 18.172 9.813 12.684 868 HD22 ASN 113 2HD2 ASN 113 18.799 10.606 14.085 869 HA PRO 114 HA PRO 114 12.527 12.072 11.514 870 HB2 PRO 114 2HB PRO 114 11.147 13.697 13.195 871 HB3 PRO 114 3HB PRO 114 10.527 12.136 12.643 872 HG2 PRO 114 2HG PRO 114 11.859 12.837 15.230 873 HG3 PRO 114 3HG PRO 114 10.437 11.817 14.944 874 HD2 PRO 114 2HD PRO 114 12.903 10.789 15.388 875 HD3 PRO 114 3HD PRO 114 11.711 9.993 14.340 876 H GLY 115 H GLY 115 12.523 14.528 11.320 877 HA2 GLY 115 2HA GLY 115 15.166 15.472 11.961 878 HA3 GLY 115 3HA GLY 115 13.939 16.339 11.049 879 H ASP 116 H ASP 116 15.782 17.047 13.361 880 HA ASP 116 HA ASP 116 14.368 17.454 15.713 881 HB2 ASP 116 2HB ASP 116 16.885 18.032 14.889 882 HB3 ASP 116 3HB ASP 116 16.182 19.647 14.909 883 H ASP 117 H ASP 117 14.410 19.359 12.753 884 HA ASP 117 HA ASP 117 13.075 21.634 13.668 885 HB2 ASP 117 2HB ASP 117 12.461 22.007 11.311 886 HB3 ASP 117 3HB ASP 117 14.151 21.542 11.478 887 H VAL 118 H VAL 118 11.843 18.518 12.591 888 HA VAL 118 HA VAL 118 9.103 19.273 12.523 889 HB VAL 118 HB VAL 118 10.203 16.493 12.942 890 HG11 VAL 118 1HG1 VAL 118 7.765 16.854 13.323 891 HG12 VAL 118 2HG1 VAL 118 7.632 17.383 11.644 892 HG13 VAL 118 3HG1 VAL 118 8.131 15.732 12.012 893 HG21 VAL 118 1HG2 VAL 118 11.300 17.181 11.008 894 HG22 VAL 118 2HG2 VAL 118 9.847 16.395 10.389 895 HG23 VAL 118 3HG2 VAL 118 9.935 18.155 10.462 896 H LEU 119 H LEU 119 11.252 18.137 15.029 897 HA LEU 119 HA LEU 119 9.228 17.439 16.908 898 HB2 LEU 119 2HB LEU 119 11.981 17.172 16.737 899 HB3 LEU 119 3HB LEU 119 11.743 18.282 18.085 900 HG LEU 119 HG LEU 119 11.937 15.973 18.847 901 HD11 LEU 119 1HD1 LEU 119 10.155 17.800 19.700 902 HD12 LEU 119 2HD1 LEU 119 10.390 16.228 20.464 903 HD13 LEU 119 3HD1 LEU 119 9.070 16.463 19.317 904 HD21 LEU 119 1HD2 LEU 119 9.319 15.256 17.636 905 HD22 LEU 119 2HD2 LEU 119 10.675 14.226 18.096 906 HD23 LEU 119 3HD2 LEU 119 10.757 15.186 16.618 907 H GLN 120 H GLN 120 11.449 20.228 16.742 908 HA GLN 120 HA GLN 120 10.280 21.669 18.842 909 HB2 GLN 120 2HB GLN 120 11.640 22.911 16.455 910 HB3 GLN 120 3HB GLN 120 11.558 23.536 18.097 911 HG2 GLN 120 2HG GLN 120 13.203 21.279 17.025 912 HG3 GLN 120 3HG GLN 120 13.726 22.721 17.894 913 HE21 GLN 120 1HE2 GLN 120 13.941 19.700 18.305 914 HE22 GLN 120 2HE2 GLN 120 13.500 19.485 19.962 915 H GLU 121 H GLU 121 9.689 21.773 15.347 916 HA GLU 121 HA GLU 121 7.835 23.887 15.377 917 HB2 GLU 121 2HB GLU 121 8.314 21.611 13.466 918 HB3 GLU 121 3HB GLU 121 7.040 22.790 13.192 919 HG2 GLU 121 2HG GLU 121 9.838 23.703 13.682 920 HG3 GLU 121 3HG GLU 121 9.362 23.113 12.091 921 H MET 122 H MET 122 7.379 20.371 15.546 922 HA MET 122 HA MET 122 4.596 20.313 15.521 923 HB2 MET 122 2HB MET 122 5.882 18.283 15.298 924 HB3 MET 122 3HB MET 122 6.562 18.485 16.907 925 HG2 MET 122 2HG MET 122 4.671 17.772 17.954 926 HG3 MET 122 3HG MET 122 3.613 18.317 16.654 927 HE1 MET 122 1HE MET 122 4.578 14.642 18.071 928 HE2 MET 122 2HE MET 122 6.061 14.597 17.118 929 HE3 MET 122 3HE MET 122 5.764 15.938 18.226 930 H ILE 123 H ILE 123 6.764 20.318 18.354 931 HA ILE 123 HA ILE 123 4.772 20.462 20.306 932 HB ILE 123 HB ILE 123 7.577 21.577 20.426 933 HG12 ILE 123 2HG1 ILE 123 7.456 19.159 19.904 934 HG13 ILE 123 3HG1 ILE 123 8.165 19.465 21.486 935 HG21 ILE 123 1HG2 ILE 123 6.845 22.491 22.336 936 HG22 ILE 123 2HG2 ILE 123 5.384 21.505 22.359 937 HG23 ILE 123 3HG2 ILE 123 6.903 20.845 22.967 938 HD11 ILE 123 1HD1 ILE 123 5.353 19.132 21.783 939 HD12 ILE 123 2HD1 ILE 123 6.003 17.791 20.840 940 HD13 ILE 123 3HD1 ILE 123 6.667 18.152 22.433 941 H ALA 124 H ALA 124 6.398 23.004 18.483 942 HA ALA 124 HA ALA 124 5.460 25.216 19.927 943 HB1 ALA 124 1HB ALA 124 7.261 25.273 18.218 944 HB2 ALA 124 2HB ALA 124 6.026 25.117 16.968 945 HB3 ALA 124 3HB ALA 124 6.049 26.538 18.012 946 H GLU 125 H GLU 125 4.074 23.519 17.133 947 HA GLU 125 HA GLU 125 1.847 25.228 16.817 948 HB2 GLU 125 2HB GLU 125 2.398 22.393 15.963 949 HB3 GLU 125 3HB GLU 125 0.869 23.186 15.610 950 HG2 GLU 125 2HG GLU 125 3.252 24.724 14.868 951 HG3 GLU 125 3HG GLU 125 3.035 23.212 13.989 952 H ALA 126 H ALA 126 2.088 21.999 18.311 953 HA ALA 126 HA ALA 126 -0.533 21.854 19.255 954 HB1 ALA 126 1HB ALA 126 2.026 20.537 20.055 955 HB2 ALA 126 2HB ALA 126 0.569 20.292 21.019 956 HB3 ALA 126 3HB ALA 126 0.586 19.837 19.315 957 H ASP 127 H ASP 127 2.256 23.512 20.522 958 HA ASP 127 HA ASP 127 1.404 23.887 23.172 959 HB2 ASP 127 2HB ASP 127 3.703 24.336 22.437 960 HB3 ASP 127 3HB ASP 127 3.133 25.686 21.461 961 H GLU 128 H GLU 128 0.483 25.427 20.201 962 HA GLU 128 HA GLU 128 -0.601 27.807 21.253 963 HB2 GLU 128 2HB GLU 128 -0.195 26.863 18.750 964 HB3 GLU 128 3HB GLU 128 -1.931 26.623 18.892 965 HG2 GLU 128 2HG GLU 128 -2.363 28.883 19.089 966 HG3 GLU 128 3HG GLU 128 -0.722 29.254 19.616 967 H ASP 129 H ASP 129 -1.771 24.548 21.141 968 HA ASP 129 HA ASP 129 -4.527 25.014 21.418 969 HB2 ASP 129 2HB ASP 129 -3.299 22.805 20.939 970 HB3 ASP 129 3HB ASP 129 -3.094 22.688 22.684 971 H GLY 130 H GLY 130 -1.920 24.857 23.786 972 HA2 GLY 130 2HA GLY 130 -3.704 26.109 25.741 973 HA3 GLY 130 3HA GLY 130 -2.941 24.593 26.195 974 H ASP 131 H ASP 131 -1.523 25.183 27.729 975 HA ASP 131 HA ASP 131 0.552 27.114 26.951 976 HB2 ASP 131 2HB ASP 131 -1.209 27.991 28.631 977 HB3 ASP 131 3HB ASP 131 -0.422 26.922 29.789 978 H GLY 132 H GLY 132 1.957 25.418 26.437 979 HA2 GLY 132 2HA GLY 132 3.821 24.166 27.041 980 HA3 GLY 132 3HA GLY 132 3.333 24.301 28.724 981 H GLU 133 H GLU 133 0.959 23.232 26.474 982 HA GLU 133 HA GLU 133 1.368 20.453 27.366 983 HB2 GLU 133 2HB GLU 133 -1.253 21.904 26.956 984 HB3 GLU 133 3HB GLU 133 -1.098 20.190 27.316 985 HG2 GLU 133 2HG GLU 133 0.327 21.240 29.348 986 HG3 GLU 133 3HG GLU 133 -0.849 22.526 29.080 987 H VAL 134 H VAL 134 0.944 18.814 25.889 988 HA VAL 134 HA VAL 134 0.850 19.698 23.089 989 HB VAL 134 HB VAL 134 1.723 17.027 24.200 990 HG11 VAL 134 1HG1 VAL 134 1.211 18.016 21.502 991 HG12 VAL 134 2HG1 VAL 134 2.812 17.300 21.700 992 HG13 VAL 134 3HG1 VAL 134 1.370 16.362 22.093 993 HG21 VAL 134 1HG2 VAL 134 3.953 18.102 23.145 994 HG22 VAL 134 2HG2 VAL 134 3.151 19.564 23.719 995 HG23 VAL 134 3HG2 VAL 134 3.508 18.255 24.845 996 H SER 135 H SER 135 -1.186 19.721 22.363 997 HA SER 135 HA SER 135 -2.945 17.464 23.053 998 HB2 SER 135 2HB SER 135 -3.854 19.622 23.727 999 HB3 SER 135 3HB SER 135 -3.642 20.251 22.093 1000 HG SER 135 HG SER 135 -5.808 19.386 22.782 1001 H PHE 136 H PHE 136 -2.788 15.947 21.526 1002 HA PHE 136 HA PHE 136 -1.978 16.275 18.895 1003 HB2 PHE 136 2HB PHE 136 -3.021 14.154 20.513 1004 HB3 PHE 136 3HB PHE 136 -3.824 14.120 18.947 1005 HD1 PHE 136 HD1 PHE 136 -2.431 13.985 16.868 1006 HD2 PHE 136 HD2 PHE 136 -0.806 13.421 20.762 1007 HE1 PHE 136 HE1 PHE 136 -0.470 12.870 15.885 1008 HE2 PHE 136 HE2 PHE 136 1.158 12.306 19.785 1009 HZ PHE 136 HZ PHE 136 1.328 12.030 17.343 1010 H GLU 137 H GLU 137 -5.102 16.768 20.345 1011 HA GLU 137 HA GLU 137 -6.779 16.620 18.145 1012 HB2 GLU 137 2HB GLU 137 -7.438 16.996 20.554 1013 HB3 GLU 137 3HB GLU 137 -7.007 18.686 20.334 1014 HG2 GLU 137 2HG GLU 137 -8.659 18.686 18.398 1015 HG3 GLU 137 3HG GLU 137 -9.225 17.143 19.036 1016 H GLU 138 H GLU 138 -4.644 19.225 19.169 1017 HA GLU 138 HA GLU 138 -5.577 21.195 17.382 1018 HB2 GLU 138 2HB GLU 138 -3.847 21.236 19.428 1019 HB3 GLU 138 3HB GLU 138 -2.696 21.162 18.101 1020 HG2 GLU 138 2HG GLU 138 -4.895 23.169 18.012 1021 HG3 GLU 138 3HG GLU 138 -3.497 23.457 19.046 1022 H PHE 139 H PHE 139 -2.780 19.000 17.147 1023 HA PHE 139 HA PHE 139 -1.911 19.757 14.618 1024 HB2 PHE 139 2HB PHE 139 -1.122 17.899 16.480 1025 HB3 PHE 139 3HB PHE 139 -1.675 16.880 15.155 1026 HD1 PHE 139 HD1 PHE 139 0.314 20.017 15.553 1027 HD2 PHE 139 HD2 PHE 139 -0.049 16.203 13.700 1028 HE1 PHE 139 HE1 PHE 139 2.449 20.385 14.387 1029 HE2 PHE 139 HE2 PHE 139 2.086 16.563 12.532 1030 HZ PHE 139 HZ PHE 139 3.339 18.656 12.875 1031 H LYS 140 H LYS 140 -4.132 17.116 15.493 1032 HA LYS 140 HA LYS 140 -4.671 16.188 12.927 1033 HB2 LYS 140 2HB LYS 140 -5.355 15.051 15.023 1034 HB3 LYS 140 3HB LYS 140 -6.584 16.285 15.268 1035 HG2 LYS 140 2HG LYS 140 -7.750 14.500 14.344 1036 HG3 LYS 140 3HG LYS 140 -7.480 15.582 12.976 1037 HD2 LYS 140 2HD LYS 140 -5.250 13.829 13.178 1038 HD3 LYS 140 3HD LYS 140 -6.723 12.859 13.258 1039 HE2 LYS 140 2HE LYS 140 -6.064 14.894 11.130 1040 HE3 LYS 140 3HE LYS 140 -5.940 13.145 10.952 1041 HZ1 LYS 140 1HZ LYS 140 -8.095 13.008 10.511 1042 HZ2 LYS 140 2HZ LYS 140 -8.143 14.696 10.428 1043 HZ3 LYS 140 3HZ LYS 140 -8.518 13.909 11.878 1044 H SER 141 H SER 141 -6.407 18.650 14.819 1045 HA SER 141 HA SER 141 -8.413 19.238 12.993 1046 HB2 SER 141 2HB SER 141 -8.692 20.223 15.092 1047 HB3 SER 141 3HB SER 141 -7.044 20.849 15.127 1048 HG SER 141 HG SER 141 -9.307 21.849 13.804 1049 H VAL 142 H VAL 142 -5.239 20.814 13.350 1050 HA VAL 142 HA VAL 142 -5.466 22.650 11.277 1051 HB VAL 142 HB VAL 142 -2.963 21.217 12.180 1052 HG11 VAL 142 1HG1 VAL 142 -2.286 23.770 11.378 1053 HG12 VAL 142 2HG1 VAL 142 -2.009 22.283 10.468 1054 HG13 VAL 142 3HG1 VAL 142 -3.453 23.250 10.162 1055 HG21 VAL 142 1HG2 VAL 142 -2.937 22.497 14.006 1056 HG22 VAL 142 2HG2 VAL 142 -3.345 23.947 13.090 1057 HG23 VAL 142 3HG2 VAL 142 -4.624 22.869 13.651 1058 H MET 143 H MET 143 -4.141 19.347 11.182 1059 HA MET 143 HA MET 143 -3.386 19.262 8.520 1060 HB2 MET 143 2HB MET 143 -3.313 17.487 10.537 1061 HB3 MET 143 3HB MET 143 -4.658 16.820 9.623 1062 HG2 MET 143 2HG MET 143 -2.888 15.690 8.716 1063 HG3 MET 143 3HG MET 143 -3.043 17.044 7.600 1064 HE1 MET 143 1HE MET 143 -1.284 15.029 9.838 1065 HE2 MET 143 2HE MET 143 0.358 15.358 9.283 1066 HE3 MET 143 3HE MET 143 -0.211 16.038 10.809 1067 H MET 144 H MET 144 -6.526 18.339 9.927 1068 HA MET 144 HA MET 144 -7.796 17.629 7.548 1069 HB2 MET 144 2HB MET 144 -8.507 17.775 10.220 1070 HB3 MET 144 3HB MET 144 -9.570 18.947 9.453 1071 HG2 MET 144 2HG MET 144 -10.313 17.219 7.877 1072 HG3 MET 144 3HG MET 144 -9.280 16.050 8.697 1073 HE1 MET 144 1HE MET 144 -10.329 14.794 11.286 1074 HE2 MET 144 2HE MET 144 -9.241 16.181 11.285 1075 HE3 MET 144 3HE MET 144 -10.692 16.200 12.288 1076 H GLN 145 H GLN 145 -7.527 20.774 9.147 1077 HA GLN 145 HA GLN 145 -9.246 22.223 7.492 1078 HB2 GLN 145 2HB GLN 145 -7.820 22.839 9.680 1079 HB3 GLN 145 3HB GLN 145 -6.791 23.580 8.462 1080 HG2 GLN 145 2HG GLN 145 -8.335 25.162 7.913 1081 HG3 GLN 145 3HG GLN 145 -9.702 24.141 8.357 1082 HE21 GLN 145 1HE2 GLN 145 -10.784 25.245 9.839 1083 HE22 GLN 145 2HE2 GLN 145 -10.108 25.940 11.269 1084 H MET 146 H MET 146 -5.734 21.723 7.224 1085 HA MET 146 HA MET 146 -5.344 23.226 4.895 1086 HB2 MET 146 2HB MET 146 -3.852 20.985 6.205 1087 HB3 MET 146 3HB MET 146 -3.358 21.537 4.611 1088 HG2 MET 146 2HG MET 146 -3.760 23.683 6.558 1089 HG3 MET 146 3HG MET 146 -2.472 22.553 6.968 1090 HE1 MET 146 1HE MET 146 -0.228 25.308 5.540 1091 HE2 MET 146 2HE MET 146 -1.485 25.279 6.777 1092 HE3 MET 146 3HE MET 146 -0.309 23.967 6.684 1093 H ARG 147 H ARG 147 -5.930 19.738 5.289 1094 HA ARG 147 HA ARG 147 -5.815 18.983 2.627 1095 HB2 ARG 147 2HB ARG 147 -7.329 17.924 4.990 1096 HB3 ARG 147 3HB ARG 147 -7.572 17.217 3.398 1097 HG2 ARG 147 2HG ARG 147 -4.868 17.487 4.681 1098 HG3 ARG 147 3HG ARG 147 -5.893 16.062 4.859 1099 HD2 ARG 147 2HD ARG 147 -5.710 16.781 2.093 1100 HD3 ARG 147 3HD ARG 147 -4.091 16.655 2.779 1101 HE ARG 147 HE ARG 147 -5.945 14.513 2.307 1102 HH11 ARG 147 1HH1 ARG 147 -3.221 15.569 4.200 1103 HH12 ARG 147 2HH1 ARG 147 -2.680 13.962 4.558 1104 HH21 ARG 147 1HH2 ARG 147 -5.244 12.393 2.772 1105 HH22 ARG 147 2HH2 ARG 147 -3.832 12.156 3.744 1106 H GLY 148 H GLY 148 -8.622 20.135 4.482 1107 HA2 GLY 148 2HA GLY 148 -10.453 19.949 2.317 1108 HA3 GLY 148 3HA GLY 148 -10.693 20.865 3.798 1109 H LYS 149 H LYS 149 -9.027 22.844 3.841 1110 HA LYS 149 HA LYS 149 -9.946 24.654 1.910 1111 HB2 LYS 149 2HB LYS 149 -8.494 26.251 2.905 1112 HB3 LYS 149 3HB LYS 149 -9.041 25.200 4.204 1113 HG2 LYS 149 2HG LYS 149 -6.928 24.863 4.758 1114 HG3 LYS 149 3HG LYS 149 -6.683 24.048 3.211 1115 HD2 LYS 149 2HD LYS 149 -5.051 25.805 3.441 1116 HD3 LYS 149 3HD LYS 149 -6.203 26.255 2.183 1117 HE2 LYS 149 2HE LYS 149 -7.160 27.200 4.700 1118 HE3 LYS 149 3HE LYS 149 -5.481 27.701 4.505 1119 HZ1 LYS 149 1HZ LYS 149 -5.995 29.077 2.821 1120 HZ2 LYS 149 2HZ LYS 149 -7.541 29.049 3.506 1121 HZ3 LYS 149 3HZ LYS 149 -7.185 28.058 2.182 Start of MODEL 13 1 H1 MET 1 H MET 1 -0.946 0.954 -2.183 2 HA MET 1 HA MET 1 0.391 -0.346 -4.313 3 HB2 MET 1 2HB MET 1 -2.174 1.071 -4.919 4 HB3 MET 1 3HB MET 1 -0.860 1.136 -6.085 5 HG2 MET 1 2HG MET 1 -0.894 -1.491 -5.658 6 HG3 MET 1 3HG MET 1 -2.576 -1.130 -5.277 7 HE1 MET 1 1HE MET 1 -0.367 0.413 -8.732 8 HE2 MET 1 2HE MET 1 0.286 -0.669 -7.501 9 HE3 MET 1 3HE MET 1 -0.298 -1.324 -9.032 10 H ALA 2 H ALA 2 -1.117 2.872 -4.009 11 HA ALA 2 HA ALA 2 1.568 4.029 -3.714 12 HB1 ALA 2 1HB ALA 2 -0.097 4.274 -6.004 13 HB2 ALA 2 2HB ALA 2 0.002 5.849 -5.216 14 HB3 ALA 2 3HB ALA 2 1.476 5.011 -5.699 15 H ALA 3 H ALA 3 1.708 5.805 -2.395 16 HA ALA 3 HA ALA 3 -0.744 6.491 -0.923 17 HB1 ALA 3 1HB ALA 3 1.822 7.355 0.207 18 HB2 ALA 3 2HB ALA 3 0.449 6.558 0.977 19 HB3 ALA 3 3HB ALA 3 1.624 5.608 0.068 20 H LEU 4 H LEU 4 -1.205 8.665 -0.423 21 HA LEU 4 HA LEU 4 -0.898 10.508 -2.457 22 HB2 LEU 4 2HB LEU 4 -1.535 12.217 -0.726 23 HB3 LEU 4 3HB LEU 4 -2.627 10.844 -0.894 24 HG LEU 4 HG LEU 4 -0.887 10.084 1.131 25 HD11 LEU 4 1HD1 LEU 4 -1.121 12.005 2.728 26 HD12 LEU 4 2HD1 LEU 4 -1.568 13.008 1.348 27 HD13 LEU 4 3HD1 LEU 4 0.027 12.258 1.413 28 HD21 LEU 4 1HD2 LEU 4 -2.872 10.454 2.577 29 HD22 LEU 4 2HD2 LEU 4 -3.234 9.577 1.091 30 HD23 LEU 4 3HD2 LEU 4 -3.650 11.286 1.231 31 H THR 5 H THR 5 1.021 10.135 0.495 32 HA THR 5 HA THR 5 2.624 12.373 0.342 33 HB THR 5 HB THR 5 4.427 10.869 1.399 34 HG1 THR 5 HG1 THR 5 4.010 8.800 1.460 35 HG21 THR 5 1HG2 THR 5 1.976 10.577 3.019 36 HG22 THR 5 2HG2 THR 5 2.342 12.210 2.462 37 HG23 THR 5 3HG2 THR 5 3.522 11.321 3.425 38 H ASP 6 H ASP 6 3.065 9.248 -1.276 39 HA ASP 6 HA ASP 6 5.549 9.742 -2.445 40 HB2 ASP 6 2HB ASP 6 3.951 7.605 -2.394 41 HB3 ASP 6 3HB ASP 6 3.535 8.196 -4.001 42 H GLU 7 H GLU 7 2.286 10.369 -3.701 43 HA GLU 7 HA GLU 7 3.092 11.398 -6.193 44 HB2 GLU 7 2HB GLU 7 0.750 10.669 -5.426 45 HB3 GLU 7 3HB GLU 7 0.613 12.278 -4.730 46 HG2 GLU 7 2HG GLU 7 1.453 12.828 -7.267 47 HG3 GLU 7 3HG GLU 7 0.435 11.409 -7.510 48 H GLN 8 H GLN 8 2.715 12.880 -3.036 49 HA GLN 8 HA GLN 8 2.833 15.574 -3.853 50 HB2 GLN 8 2HB GLN 8 2.535 14.224 -1.446 51 HB3 GLN 8 3HB GLN 8 4.066 15.070 -1.263 52 HG2 GLN 8 2HG GLN 8 2.073 16.799 -2.413 53 HG3 GLN 8 3HG GLN 8 1.509 16.101 -0.896 54 HE21 GLN 8 1HE2 GLN 8 4.200 17.833 -2.375 55 HE22 GLN 8 2HE2 GLN 8 4.692 18.660 -0.941 56 H ILE 9 H ILE 9 5.391 13.486 -2.501 57 HA ILE 9 HA ILE 9 7.489 15.315 -2.867 58 HB ILE 9 HB ILE 9 8.992 13.335 -2.702 59 HG12 ILE 9 2HG1 ILE 9 6.382 11.809 -2.575 60 HG13 ILE 9 3HG1 ILE 9 7.567 11.717 -3.873 61 HG21 ILE 9 1HG2 ILE 9 8.615 13.006 -0.428 62 HG22 ILE 9 2HG2 ILE 9 7.860 14.567 -0.748 63 HG23 ILE 9 3HG2 ILE 9 6.864 13.119 -0.604 64 HD11 ILE 9 1HD1 ILE 9 7.748 9.803 -2.412 65 HD12 ILE 9 2HD1 ILE 9 9.199 10.799 -2.295 66 HD13 ILE 9 3HD1 ILE 9 7.983 10.860 -1.020 67 H ARG 10 H ARG 10 6.048 12.948 -5.014 68 HA ARG 10 HA ARG 10 8.059 12.923 -6.988 69 HB2 ARG 10 2HB ARG 10 6.256 11.242 -6.844 70 HB3 ARG 10 3HB ARG 10 5.088 12.469 -7.317 71 HG2 ARG 10 2HG ARG 10 5.675 11.050 -9.196 72 HG3 ARG 10 3HG ARG 10 6.205 12.711 -9.472 73 HD2 ARG 10 2HD ARG 10 8.468 12.149 -8.949 74 HD3 ARG 10 3HD ARG 10 7.997 10.543 -8.395 75 HE ARG 10 HE ARG 10 8.467 11.365 -11.095 76 HH11 ARG 10 1HH1 ARG 10 6.698 9.145 -9.080 77 HH12 ARG 10 2HH1 ARG 10 6.522 7.952 -10.324 78 HH21 ARG 10 1HH2 ARG 10 8.242 9.802 -12.741 79 HH22 ARG 10 2HH2 ARG 10 7.402 8.326 -12.406 80 H GLU 11 H GLU 11 5.042 14.799 -6.754 81 HA GLU 11 HA GLU 11 5.446 16.269 -9.131 82 HB2 GLU 11 2HB GLU 11 3.667 16.509 -6.755 83 HB3 GLU 11 3HB GLU 11 3.850 17.923 -7.784 84 HG2 GLU 11 2HG GLU 11 3.079 16.678 -9.701 85 HG3 GLU 11 3HG GLU 11 2.997 15.201 -8.743 86 H ALA 12 H ALA 12 6.376 16.824 -5.785 87 HA ALA 12 HA ALA 12 7.203 19.500 -6.039 88 HB1 ALA 12 1HB ALA 12 8.255 17.396 -4.151 89 HB2 ALA 12 2HB ALA 12 8.427 19.142 -3.970 90 HB3 ALA 12 3HB ALA 12 6.830 18.399 -3.879 91 H PHE 13 H PHE 13 9.161 16.515 -6.057 92 HA PHE 13 HA PHE 13 11.594 17.742 -6.694 93 HB2 PHE 13 2HB PHE 13 11.548 15.483 -5.843 94 HB3 PHE 13 3HB PHE 13 10.619 14.932 -7.233 95 HD1 PHE 13 HD1 PHE 13 11.738 13.886 -8.941 96 HD2 PHE 13 HD2 PHE 13 13.853 16.619 -6.456 97 HE1 PHE 13 HE1 PHE 13 13.826 13.338 -10.121 98 HE2 PHE 13 HE2 PHE 13 15.944 16.076 -7.633 99 HZ PHE 13 HZ PHE 13 15.933 14.434 -9.469 100 H ASN 14 H ASN 14 8.958 16.626 -8.718 101 HA ASN 14 HA ASN 14 10.301 16.735 -11.197 102 HB2 ASN 14 2HB ASN 14 8.051 15.643 -10.678 103 HB3 ASN 14 3HB ASN 14 7.355 17.256 -10.807 104 HD21 ASN 14 1HD2 ASN 14 6.123 16.151 -12.521 105 HD22 ASN 14 2HD2 ASN 14 6.800 16.109 -14.111 106 H LEU 15 H LEU 15 8.298 19.117 -9.487 107 HA LEU 15 HA LEU 15 8.425 21.123 -11.457 108 HB2 LEU 15 2HB LEU 15 7.552 20.885 -8.689 109 HB3 LEU 15 3HB LEU 15 8.208 22.477 -9.066 110 HG LEU 15 HG LEU 15 5.805 22.481 -9.327 111 HD11 LEU 15 1HD1 LEU 15 7.562 23.486 -11.098 112 HD12 LEU 15 2HD1 LEU 15 5.819 23.728 -11.203 113 HD13 LEU 15 3HD1 LEU 15 6.594 22.470 -12.165 114 HD21 LEU 15 1HD2 LEU 15 5.075 20.355 -9.766 115 HD22 LEU 15 2HD2 LEU 15 6.350 20.039 -10.943 116 HD23 LEU 15 3HD2 LEU 15 4.981 21.062 -11.379 117 H PHE 16 H PHE 16 10.341 20.659 -8.493 118 HA PHE 16 HA PHE 16 12.001 22.872 -8.736 119 HB2 PHE 16 2HB PHE 16 12.577 20.145 -7.565 120 HB3 PHE 16 3HB PHE 16 13.633 21.540 -7.371 121 HD1 PHE 16 HD1 PHE 16 11.806 23.719 -6.860 122 HD2 PHE 16 HD2 PHE 16 11.654 19.686 -5.508 123 HE1 PHE 16 HE1 PHE 16 10.505 24.429 -4.896 124 HE2 PHE 16 HE2 PHE 16 10.353 20.390 -3.542 125 HZ PHE 16 HZ PHE 16 9.776 22.764 -3.235 126 H ASP 17 H ASP 17 12.447 19.593 -10.019 127 HA ASP 17 HA ASP 17 14.951 20.146 -11.247 128 HB2 ASP 17 2HB ASP 17 13.713 17.862 -10.646 129 HB3 ASP 17 3HB ASP 17 13.195 17.994 -12.325 130 H ALA 18 H ALA 18 11.650 20.608 -12.186 131 HA ALA 18 HA ALA 18 11.849 20.670 -14.958 132 HB1 ALA 18 1HB ALA 18 10.129 22.578 -13.400 133 HB2 ALA 18 2HB ALA 18 9.812 21.840 -14.971 134 HB3 ALA 18 3HB ALA 18 9.765 20.855 -13.509 135 H ASP 19 H ASP 19 13.013 22.912 -12.591 136 HA ASP 19 HA ASP 19 13.168 25.281 -14.001 137 HB2 ASP 19 2HB ASP 19 13.810 24.927 -11.599 138 HB3 ASP 19 3HB ASP 19 15.324 24.225 -12.164 139 H GLY 20 H GLY 20 15.107 22.387 -14.317 140 HA2 GLY 20 2HA GLY 20 16.361 21.763 -16.183 141 HA3 GLY 20 3HA GLY 20 16.193 23.396 -16.812 142 H SER 21 H SER 21 17.266 22.944 -13.552 143 HA SER 21 HA SER 21 19.978 23.744 -14.383 144 HB2 SER 21 2HB SER 21 18.544 24.320 -11.778 145 HB3 SER 21 3HB SER 21 20.186 24.824 -12.175 146 HG SER 21 HG SER 21 18.158 25.518 -13.957 147 H GLY 22 H GLY 22 21.756 22.986 -13.036 148 HA2 GLY 22 2HA GLY 22 21.567 20.187 -12.540 149 HA3 GLY 22 3HA GLY 22 22.962 21.206 -12.215 150 H ALA 23 H ALA 23 21.089 22.965 -10.562 151 HA ALA 23 HA ALA 23 20.498 21.251 -8.293 152 HB1 ALA 23 1HB ALA 23 22.325 21.685 -7.116 153 HB2 ALA 23 2HB ALA 23 22.967 22.633 -8.457 154 HB3 ALA 23 3HB ALA 23 21.989 23.414 -7.215 155 H ILE 24 H ILE 24 19.470 22.492 -6.502 156 HA ILE 24 HA ILE 24 17.982 24.798 -7.577 157 HB ILE 24 HB ILE 24 17.024 22.857 -5.474 158 HG12 ILE 24 2HG1 ILE 24 15.411 22.654 -7.750 159 HG13 ILE 24 3HG1 ILE 24 17.059 22.671 -8.368 160 HG21 ILE 24 1HG2 ILE 24 16.053 25.077 -5.276 161 HG22 ILE 24 2HG2 ILE 24 15.597 25.045 -6.979 162 HG23 ILE 24 3HG2 ILE 24 14.846 23.923 -5.844 163 HD11 ILE 24 1HD1 ILE 24 17.469 20.612 -7.629 164 HD12 ILE 24 2HD1 ILE 24 16.696 20.915 -6.072 165 HD13 ILE 24 3HD1 ILE 24 15.718 20.474 -7.472 166 H ASP 25 H ASP 25 18.223 26.671 -6.557 167 HA ASP 25 HA ASP 25 19.682 26.731 -4.034 168 HB2 ASP 25 2HB ASP 25 18.993 28.792 -6.109 169 HB3 ASP 25 3HB ASP 25 19.536 29.282 -4.507 170 H ALA 26 H ALA 26 18.917 28.708 -2.591 171 HA ALA 26 HA ALA 26 16.414 27.943 -1.499 172 HB1 ALA 26 1HB ALA 26 18.512 29.912 -0.864 173 HB2 ALA 26 2HB ALA 26 16.892 30.297 -0.282 174 HB3 ALA 26 3HB ALA 26 17.659 28.779 0.184 175 H GLU 27 H GLU 27 17.466 30.687 -3.468 176 HA GLU 27 HA GLU 27 15.109 32.191 -3.350 177 HB2 GLU 27 2HB GLU 27 15.895 33.225 -5.462 178 HB3 GLU 27 3HB GLU 27 17.146 33.146 -4.230 179 HG2 GLU 27 2HG GLU 27 17.628 30.841 -5.519 180 HG3 GLU 27 3HG GLU 27 16.969 31.801 -6.842 181 H GLU 28 H GLU 28 16.093 29.600 -5.550 182 HA GLU 28 HA GLU 28 13.876 29.759 -7.281 183 HB2 GLU 28 2HB GLU 28 15.897 28.557 -7.905 184 HB3 GLU 28 3HB GLU 28 15.648 27.408 -6.598 185 HG2 GLU 28 2HG GLU 28 15.014 26.629 -8.904 186 HG3 GLU 28 3HG GLU 28 13.784 26.445 -7.655 187 H MET 29 H MET 29 14.489 27.719 -4.435 188 HA MET 29 HA MET 29 12.129 26.242 -4.489 189 HB2 MET 29 2HB MET 29 14.320 26.367 -2.844 190 HB3 MET 29 3HB MET 29 13.043 26.976 -1.798 191 HG2 MET 29 2HG MET 29 11.783 24.842 -2.753 192 HG3 MET 29 3HG MET 29 13.442 24.277 -2.940 193 HE1 MET 29 1HE MET 29 14.582 22.976 -0.163 194 HE2 MET 29 2HE MET 29 15.059 24.113 -1.424 195 HE3 MET 29 3HE MET 29 15.045 24.624 0.264 196 H ALA 30 H ALA 30 12.823 29.315 -2.842 197 HA ALA 30 HA ALA 30 10.309 29.651 -1.648 198 HB1 ALA 30 1HB ALA 30 11.573 32.145 -2.468 199 HB2 ALA 30 2HB ALA 30 11.188 31.544 -0.854 200 HB3 ALA 30 3HB ALA 30 12.678 31.038 -1.652 201 H LEU 31 H LEU 31 11.557 30.814 -4.765 202 HA LEU 31 HA LEU 31 9.358 32.299 -5.580 203 HB2 LEU 31 2HB LEU 31 11.743 31.286 -6.745 204 HB3 LEU 31 3HB LEU 31 10.409 30.935 -7.842 205 HG LEU 31 HG LEU 31 11.420 33.013 -8.480 206 HD11 LEU 31 1HD1 LEU 31 8.766 32.669 -8.081 207 HD12 LEU 31 2HD1 LEU 31 9.482 34.080 -8.860 208 HD13 LEU 31 3HD1 LEU 31 9.057 34.138 -7.149 209 HD21 LEU 31 1HD2 LEU 31 11.469 33.456 -5.595 210 HD22 LEU 31 2HD2 LEU 31 10.926 34.858 -6.517 211 HD23 LEU 31 3HD2 LEU 31 12.493 34.126 -6.865 212 H ALA 32 H ALA 32 10.027 28.847 -6.093 213 HA ALA 32 HA ALA 32 7.714 28.264 -7.574 214 HB1 ALA 32 1HB ALA 32 8.771 26.322 -7.732 215 HB2 ALA 32 2HB ALA 32 9.901 26.819 -6.472 216 HB3 ALA 32 3HB ALA 32 8.407 25.987 -6.039 217 H MET 33 H MET 33 8.357 27.989 -4.085 218 HA MET 33 HA MET 33 5.920 26.924 -3.293 219 HB2 MET 33 2HB MET 33 7.883 28.731 -1.905 220 HB3 MET 33 3HB MET 33 6.410 28.199 -1.105 221 HG2 MET 33 2HG MET 33 7.147 26.081 -0.847 222 HG3 MET 33 3HG MET 33 8.060 26.097 -2.354 223 HE1 MET 33 1HE MET 33 9.387 27.388 1.802 224 HE2 MET 33 2HE MET 33 8.548 28.654 0.906 225 HE3 MET 33 3HE MET 33 7.745 27.114 1.219 226 H LYS 34 H LYS 34 6.827 30.284 -3.882 227 HA LYS 34 HA LYS 34 4.406 31.427 -2.950 228 HB2 LYS 34 2HB LYS 34 6.369 32.805 -3.136 229 HB3 LYS 34 3HB LYS 34 6.516 32.454 -4.853 230 HG2 LYS 34 2HG LYS 34 4.445 33.662 -5.288 231 HG3 LYS 34 3HG LYS 34 4.275 34.000 -3.564 232 HD2 LYS 34 2HD LYS 34 6.762 34.802 -5.025 233 HD3 LYS 34 3HD LYS 34 5.310 35.801 -5.122 234 HE2 LYS 34 2HE LYS 34 5.751 35.087 -2.399 235 HE3 LYS 34 3HE LYS 34 7.257 35.713 -3.066 236 HZ1 LYS 34 1HZ LYS 34 4.852 37.105 -2.403 237 HZ2 LYS 34 2HZ LYS 34 5.345 37.428 -3.988 238 HZ3 LYS 34 3HZ LYS 34 6.402 37.716 -2.700 239 H GLY 35 H GLY 35 5.563 30.580 -6.207 240 HA2 GLY 35 2HA GLY 35 3.337 31.470 -7.644 241 HA3 GLY 35 3HA GLY 35 4.425 30.190 -8.160 242 H LEU 36 H LEU 36 3.876 28.442 -5.932 243 HA LEU 36 HA LEU 36 1.486 27.215 -6.961 244 HB2 LEU 36 2HB LEU 36 3.329 26.445 -4.704 245 HB3 LEU 36 3HB LEU 36 1.976 25.464 -5.264 246 HG LEU 36 HG LEU 36 4.171 26.250 -7.146 247 HD11 LEU 36 1HD1 LEU 36 4.308 24.340 -4.902 248 HD12 LEU 36 2HD1 LEU 36 5.594 25.211 -5.737 249 HD13 LEU 36 3HD1 LEU 36 4.897 23.762 -6.461 250 HD21 LEU 36 1HD2 LEU 36 2.303 23.886 -7.001 251 HD22 LEU 36 2HD2 LEU 36 3.497 24.187 -8.264 252 HD23 LEU 36 3HD2 LEU 36 2.127 25.281 -8.066 253 H GLY 37 H GLY 37 2.334 29.208 -4.256 254 HA2 GLY 37 2HA GLY 37 1.017 30.223 -2.669 255 HA3 GLY 37 3HA GLY 37 -0.381 29.681 -3.585 256 H PHE 38 H PHE 38 1.876 27.292 -2.557 257 HA PHE 38 HA PHE 38 0.209 26.620 -0.235 258 HB2 PHE 38 2HB PHE 38 1.070 24.664 -2.377 259 HB3 PHE 38 3HB PHE 38 0.233 24.243 -0.887 260 HD1 PHE 38 HD1 PHE 38 -1.939 25.926 -0.560 261 HD2 PHE 38 HD2 PHE 38 -0.262 24.568 -4.229 262 HE1 PHE 38 HE1 PHE 38 -4.104 26.278 -1.676 263 HE2 PHE 38 HE2 PHE 38 -2.423 24.919 -5.351 264 HZ PHE 38 HZ PHE 38 -4.347 25.776 -4.074 265 H GLY 39 H GLY 39 1.265 25.568 1.444 266 HA2 GLY 39 2HA GLY 39 3.044 25.027 2.790 267 HA3 GLY 39 3HA GLY 39 3.817 24.423 1.332 268 H ASP 40 H ASP 40 2.855 27.726 2.211 269 HA ASP 40 HA ASP 40 5.459 28.701 1.417 270 HB2 ASP 40 2HB ASP 40 3.634 30.069 0.748 271 HB3 ASP 40 3HB ASP 40 2.938 30.056 2.366 272 H LEU 41 H LEU 41 7.062 28.346 2.827 273 HA LEU 41 HA LEU 41 6.562 28.801 5.684 274 HB2 LEU 41 2HB LEU 41 8.561 27.195 4.156 275 HB3 LEU 41 3HB LEU 41 8.954 27.746 5.784 276 HG LEU 41 HG LEU 41 8.119 25.443 5.761 277 HD11 LEU 41 1HD1 LEU 41 6.430 25.701 7.500 278 HD12 LEU 41 2HD1 LEU 41 6.227 27.397 7.062 279 HD13 LEU 41 3HD1 LEU 41 7.760 26.836 7.731 280 HD21 LEU 41 1HD2 LEU 41 6.483 26.154 3.779 281 HD22 LEU 41 2HD2 LEU 41 5.363 26.324 5.131 282 HD23 LEU 41 3HD2 LEU 41 6.159 24.778 4.833 283 HA PRO 42 HA PRO 42 8.983 32.456 5.853 284 HB2 PRO 42 2HB PRO 42 10.280 32.176 8.221 285 HB3 PRO 42 3HB PRO 42 8.550 32.520 8.108 286 HG2 PRO 42 2HG PRO 42 9.935 29.909 8.582 287 HG3 PRO 42 3HG PRO 42 8.494 30.571 9.375 288 HD2 PRO 42 2HD PRO 42 8.352 28.716 7.407 289 HD3 PRO 42 3HD PRO 42 7.104 29.957 7.641 290 H ARG 43 H ARG 43 11.199 33.318 5.998 291 HA ARG 43 HA ARG 43 12.996 31.902 4.389 292 HB2 ARG 43 2HB ARG 43 14.634 33.655 5.015 293 HB3 ARG 43 3HB ARG 43 13.078 34.314 4.527 294 HG2 ARG 43 2HG ARG 43 13.350 35.570 6.370 295 HG3 ARG 43 3HG ARG 43 12.690 34.147 7.178 296 HD2 ARG 43 2HD ARG 43 15.199 33.402 7.250 297 HD3 ARG 43 3HD ARG 43 15.506 35.126 7.047 298 HE ARG 43 HE ARG 43 13.641 34.636 9.139 299 HH11 ARG 43 1HH1 ARG 43 17.032 34.559 8.358 300 HH12 ARG 43 2HH1 ARG 43 17.548 34.805 9.993 301 HH21 ARG 43 1HH2 ARG 43 14.307 34.961 11.296 302 HH22 ARG 43 2HH2 ARG 43 15.997 35.033 11.664 303 H ASP 44 H ASP 44 12.829 32.275 7.897 304 HA ASP 44 HA ASP 44 15.263 31.107 8.584 305 HB2 ASP 44 2HB ASP 44 14.362 30.812 10.777 306 HB3 ASP 44 3HB ASP 44 13.662 32.294 10.131 307 H GLU 45 H GLU 45 12.163 29.634 7.797 308 HA GLU 45 HA GLU 45 12.837 26.994 8.557 309 HB2 GLU 45 2HB GLU 45 10.516 27.923 8.102 310 HB3 GLU 45 3HB GLU 45 10.882 27.758 6.391 311 HG2 GLU 45 2HG GLU 45 11.261 25.385 8.130 312 HG3 GLU 45 3HG GLU 45 9.615 25.879 7.740 313 H VAL 46 H VAL 46 13.269 28.829 5.594 314 HA VAL 46 HA VAL 46 14.031 26.639 3.955 315 HB VAL 46 HB VAL 46 14.823 29.529 3.590 316 HG11 VAL 46 1HG1 VAL 46 14.978 27.088 1.940 317 HG12 VAL 46 2HG1 VAL 46 14.439 28.553 1.116 318 HG13 VAL 46 3HG1 VAL 46 15.999 28.526 1.941 319 HG21 VAL 46 1HG2 VAL 46 12.258 28.097 3.003 320 HG22 VAL 46 2HG2 VAL 46 12.506 29.661 3.778 321 HG23 VAL 46 3HG2 VAL 46 12.761 29.487 2.042 322 H GLU 47 H GLU 47 15.948 29.168 5.581 323 HA GLU 47 HA GLU 47 18.468 28.177 4.868 324 HB2 GLU 47 2HB GLU 47 19.304 29.507 6.805 325 HB3 GLU 47 3HB GLU 47 18.254 30.412 5.724 326 HG2 GLU 47 2HG GLU 47 16.388 30.092 7.273 327 HG3 GLU 47 3HG GLU 47 17.452 29.201 8.360 328 H ARG 48 H ARG 48 16.386 27.462 7.627 329 HA ARG 48 HA ARG 48 18.244 25.885 9.055 330 HB2 ARG 48 2HB ARG 48 16.011 26.897 9.853 331 HB3 ARG 48 3HB ARG 48 15.267 25.469 9.147 332 HG2 ARG 48 2HG ARG 48 16.938 24.150 10.596 333 HG3 ARG 48 3HG ARG 48 17.125 25.665 11.481 334 HD2 ARG 48 2HD ARG 48 14.498 25.603 11.494 335 HD3 ARG 48 3HD ARG 48 14.752 23.876 11.245 336 HE ARG 48 HE ARG 48 16.372 24.492 13.345 337 HH11 ARG 48 1HH1 ARG 48 12.984 24.914 12.666 338 HH12 ARG 48 2HH1 ARG 48 12.504 24.802 14.327 339 HH21 ARG 48 1HH2 ARG 48 15.753 24.342 15.535 340 HH22 ARG 48 2HH2 ARG 48 14.079 24.477 15.958 341 H THR 49 H THR 49 15.683 25.035 6.748 342 HA THR 49 HA THR 49 15.961 22.257 6.869 343 HB THR 49 HB THR 49 15.127 23.950 4.506 344 HG1 THR 49 HG1 THR 49 12.995 23.148 5.359 345 HG21 THR 49 1HG2 THR 49 13.862 21.408 4.554 346 HG22 THR 49 2HG2 THR 49 15.601 21.149 4.700 347 HG23 THR 49 3HG2 THR 49 14.957 22.063 3.337 348 H VAL 50 H VAL 50 17.505 24.608 4.694 349 HA VAL 50 HA VAL 50 18.985 22.739 3.197 350 HB VAL 50 HB VAL 50 19.632 25.637 3.756 351 HG11 VAL 50 1HG1 VAL 50 21.565 25.159 2.747 352 HG12 VAL 50 2HG1 VAL 50 20.998 23.571 2.226 353 HG13 VAL 50 3HG1 VAL 50 20.618 25.002 1.268 354 HG21 VAL 50 1HG2 VAL 50 18.322 24.518 1.296 355 HG22 VAL 50 2HG2 VAL 50 17.387 25.059 2.690 356 HG23 VAL 50 3HG2 VAL 50 18.418 26.198 1.824 357 H ARG 51 H ARG 51 19.742 24.541 6.142 358 HA ARG 51 HA ARG 51 22.450 23.833 6.339 359 HB2 ARG 51 2HB ARG 51 21.582 25.616 7.694 360 HB3 ARG 51 3HB ARG 51 20.421 24.540 8.459 361 HG2 ARG 51 2HG ARG 51 23.236 23.749 8.746 362 HG3 ARG 51 3HG ARG 51 22.783 25.255 9.546 363 HD2 ARG 51 2HD ARG 51 20.725 23.758 10.321 364 HD3 ARG 51 3HD ARG 51 21.906 22.472 10.081 365 HE ARG 51 HE ARG 51 22.969 23.164 11.978 366 HH11 ARG 51 1HH1 ARG 51 20.936 25.746 10.830 367 HH12 ARG 51 2HH1 ARG 51 21.220 26.758 12.208 368 HH21 ARG 51 1HH2 ARG 51 23.351 24.486 13.797 369 HH22 ARG 51 2HH2 ARG 51 22.594 26.040 13.895 370 H SER 52 H SER 52 19.526 22.248 7.547 371 HA SER 52 HA SER 52 20.865 20.199 8.973 372 HB2 SER 52 2HB SER 52 18.102 20.836 8.217 373 HB3 SER 52 3HB SER 52 18.429 19.106 8.312 374 HG SER 52 HG SER 52 17.872 20.593 10.307 375 H MET 53 H MET 53 19.328 20.248 5.762 376 HA MET 53 HA MET 53 19.967 17.601 5.068 377 HB2 MET 53 2HB MET 53 19.431 20.030 3.357 378 HB3 MET 53 3HB MET 53 19.621 18.408 2.705 379 HG2 MET 53 2HG MET 53 17.722 17.697 4.175 380 HG3 MET 53 3HG MET 53 17.474 19.399 4.558 381 HE1 MET 53 1HE MET 53 17.420 21.187 2.597 382 HE2 MET 53 2HE MET 53 18.352 20.428 1.306 383 HE3 MET 53 3HE MET 53 16.672 20.889 1.028 384 H ASN 54 H ASN 54 21.495 20.595 3.860 385 HA ASN 54 HA ASN 54 23.838 19.083 3.051 386 HB2 ASN 54 2HB ASN 54 22.749 20.985 1.707 387 HB3 ASN 54 3HB ASN 54 23.512 22.073 2.862 388 HD21 ASN 54 1HD2 ASN 54 24.516 22.834 0.829 389 HD22 ASN 54 2HD2 ASN 54 25.977 22.068 0.314 390 H THR 55 H THR 55 25.085 18.518 4.745 391 HA THR 55 HA THR 55 25.426 19.859 7.141 392 HB THR 55 HB THR 55 26.195 17.566 6.828 393 HG1 THR 55 HG1 THR 55 27.355 18.212 8.489 394 HG21 THR 55 1HG2 THR 55 27.099 18.036 4.485 395 HG22 THR 55 2HG2 THR 55 28.050 16.957 5.506 396 HG23 THR 55 3HG2 THR 55 28.550 18.634 5.290 397 H ASN 56 H ASN 56 27.071 20.322 4.071 398 HA ASN 56 HA ASN 56 28.576 22.556 5.265 399 HB2 ASN 56 2HB ASN 56 29.236 20.719 2.969 400 HB3 ASN 56 3HB ASN 56 30.055 22.263 3.186 401 HD21 ASN 56 1HD2 ASN 56 31.617 20.148 3.193 402 HD22 ASN 56 2HD2 ASN 56 32.152 19.746 4.786 403 H ALA 57 H ALA 57 27.268 24.280 4.945 404 HA ALA 57 HA ALA 57 25.609 24.693 2.712 405 HB1 ALA 57 1HB ALA 57 24.999 26.637 3.712 406 HB2 ALA 57 2HB ALA 57 25.768 25.862 5.098 407 HB3 ALA 57 3HB ALA 57 26.653 27.060 4.153 408 H ASN 58 H ASN 58 26.593 24.533 0.747 409 HA ASN 58 HA ASN 58 28.760 26.452 0.192 410 HB2 ASN 58 2HB ASN 58 28.898 23.729 -0.076 411 HB3 ASN 58 3HB ASN 58 28.438 24.226 -1.702 412 HD21 ASN 58 1HD2 ASN 58 30.550 25.599 0.798 413 HD22 ASN 58 2HD2 ASN 58 31.940 25.744 -0.217 414 H GLY 59 H GLY 59 25.637 26.369 -0.063 415 HA2 GLY 59 2HA GLY 59 24.193 27.583 -1.398 416 HA3 GLY 59 3HA GLY 59 25.560 28.012 -2.415 417 H LEU 60 H LEU 60 25.038 24.669 -1.783 418 HA LEU 60 HA LEU 60 23.554 24.308 -4.278 419 HB2 LEU 60 2HB LEU 60 26.274 23.203 -3.665 420 HB3 LEU 60 3HB LEU 60 25.188 22.391 -4.791 421 HG LEU 60 HG LEU 60 25.296 25.068 -5.626 422 HD11 LEU 60 1HD1 LEU 60 28.109 24.097 -5.459 423 HD12 LEU 60 2HD1 LEU 60 27.413 24.967 -4.092 424 HD13 LEU 60 3HD1 LEU 60 27.491 25.734 -5.678 425 HD21 LEU 60 1HD2 LEU 60 25.220 22.740 -6.826 426 HD22 LEU 60 2HD2 LEU 60 26.971 22.946 -6.883 427 HD23 LEU 60 3HD2 LEU 60 25.917 24.145 -7.633 428 H ILE 61 H ILE 61 22.140 22.647 -4.225 429 HA ILE 61 HA ILE 61 22.215 20.896 -1.854 430 HB ILE 61 HB ILE 61 19.753 21.729 -3.389 431 HG12 ILE 61 2HG1 ILE 61 20.718 22.698 -0.691 432 HG13 ILE 61 3HG1 ILE 61 20.825 23.624 -2.184 433 HG21 ILE 61 1HG2 ILE 61 20.239 19.632 -1.557 434 HG22 ILE 61 2HG2 ILE 61 19.246 20.833 -0.735 435 HG23 ILE 61 3HG2 ILE 61 18.702 20.135 -2.260 436 HD11 ILE 61 1HD1 ILE 61 18.937 24.449 -1.096 437 HD12 ILE 61 2HD1 ILE 61 18.295 23.355 -2.321 438 HD13 ILE 61 3HD1 ILE 61 18.385 22.838 -0.638 439 H GLU 62 H GLU 62 22.234 18.754 -2.167 440 HA GLU 62 HA GLU 62 22.316 17.764 -4.894 441 HB2 GLU 62 2HB GLU 62 22.758 16.345 -2.261 442 HB3 GLU 62 3HB GLU 62 23.006 15.632 -3.849 443 HG2 GLU 62 2HG GLU 62 24.644 17.573 -4.234 444 HG3 GLU 62 3HG GLU 62 24.584 17.776 -2.484 445 H TYR 63 H TYR 63 20.882 16.364 -5.818 446 HA TYR 63 HA TYR 63 18.206 16.437 -5.000 447 HB2 TYR 63 2HB TYR 63 17.810 14.762 -6.751 448 HB3 TYR 63 3HB TYR 63 18.871 16.044 -7.325 449 HD1 TYR 63 HD1 TYR 63 18.615 12.501 -6.483 450 HD2 TYR 63 HD2 TYR 63 21.242 15.603 -7.739 451 HE1 TYR 63 HE1 TYR 63 20.274 10.815 -7.156 452 HE2 TYR 63 HE2 TYR 63 22.908 13.925 -8.417 453 HH TYR 63 HH TYR 63 22.868 10.798 -7.443 454 H GLY 64 H GLY 64 20.724 14.014 -4.509 455 HA2 GLY 64 2HA GLY 64 19.125 11.952 -3.485 456 HA3 GLY 64 3HA GLY 64 20.829 12.186 -3.126 457 H GLU 65 H GLU 65 20.922 14.476 -1.724 458 HA GLU 65 HA GLU 65 20.002 13.682 0.831 459 HB2 GLU 65 2HB GLU 65 21.039 16.373 -0.077 460 HB3 GLU 65 3HB GLU 65 20.864 15.857 1.594 461 HG2 GLU 65 2HG GLU 65 22.750 14.773 -0.476 462 HG3 GLU 65 3HG GLU 65 23.150 15.637 1.008 463 H PHE 66 H PHE 66 18.765 15.894 -1.591 464 HA PHE 66 HA PHE 66 16.891 17.265 -0.027 465 HB2 PHE 66 2HB PHE 66 17.582 17.865 -2.362 466 HB3 PHE 66 3HB PHE 66 16.591 16.532 -2.944 467 HD1 PHE 66 HD1 PHE 66 14.297 16.803 -3.291 468 HD2 PHE 66 HD2 PHE 66 16.458 19.732 -1.085 469 HE1 PHE 66 HE1 PHE 66 12.331 18.282 -3.335 470 HE2 PHE 66 HE2 PHE 66 14.496 21.215 -1.124 471 HZ PHE 66 HZ PHE 66 12.428 20.491 -2.250 472 H GLU 67 H GLU 67 16.331 14.488 -2.199 473 HA GLU 67 HA GLU 67 13.677 14.043 -1.368 474 HB2 GLU 67 2HB GLU 67 13.877 11.881 -2.499 475 HB3 GLU 67 3HB GLU 67 14.556 13.173 -3.479 476 HG2 GLU 67 2HG GLU 67 16.812 12.517 -2.583 477 HG3 GLU 67 3HG GLU 67 16.033 11.094 -1.893 478 H ARG 68 H ARG 68 16.761 12.752 -0.251 479 HA ARG 68 HA ARG 68 15.828 10.713 1.403 480 HB2 ARG 68 2HB ARG 68 18.223 11.179 0.782 481 HB3 ARG 68 3HB ARG 68 18.214 12.474 1.971 482 HG2 ARG 68 2HG ARG 68 18.114 11.019 3.757 483 HG3 ARG 68 3HG ARG 68 17.437 9.711 2.785 484 HD2 ARG 68 2HD ARG 68 19.877 10.202 1.594 485 HD3 ARG 68 3HD ARG 68 20.213 10.406 3.313 486 HE ARG 68 HE ARG 68 18.726 8.025 2.727 487 HH11 ARG 68 1HH1 ARG 68 21.909 9.427 2.883 488 HH12 ARG 68 2HH1 ARG 68 22.708 7.909 3.129 489 HH21 ARG 68 1HH2 ARG 68 19.766 6.021 3.052 490 HH22 ARG 68 2HH2 ARG 68 21.488 5.972 3.224 491 H MET 69 H MET 69 16.297 14.159 2.075 492 HA MET 69 HA MET 69 15.560 13.973 4.823 493 HB2 MET 69 2HB MET 69 16.956 15.803 3.967 494 HB3 MET 69 3HB MET 69 15.614 16.373 2.984 495 HG2 MET 69 2HG MET 69 15.503 17.783 4.786 496 HG3 MET 69 3HG MET 69 14.359 16.525 5.248 497 HE1 MET 69 1HE MET 69 15.307 14.411 7.236 498 HE2 MET 69 2HE MET 69 15.350 15.576 8.560 499 HE3 MET 69 3HE MET 69 14.164 15.754 7.265 500 H VAL 70 H VAL 70 13.850 14.975 1.878 501 HA VAL 70 HA VAL 70 11.456 15.810 2.966 502 HB VAL 70 HB VAL 70 11.831 14.255 0.403 503 HG11 VAL 70 1HG1 VAL 70 9.554 15.972 1.378 504 HG12 VAL 70 2HG1 VAL 70 9.742 15.426 -0.290 505 HG13 VAL 70 3HG1 VAL 70 9.512 14.249 1.004 506 HG21 VAL 70 1HG2 VAL 70 11.403 17.062 0.053 507 HG22 VAL 70 2HG2 VAL 70 12.762 16.807 1.149 508 HG23 VAL 70 3HG2 VAL 70 12.773 16.075 -0.456 509 H LYS 71 H LYS 71 12.431 12.509 2.099 510 HA LYS 71 HA LYS 71 10.001 11.254 2.756 511 HB2 LYS 71 2HB LYS 71 11.735 10.164 1.412 512 HB3 LYS 71 3HB LYS 71 12.811 10.136 2.803 513 HG2 LYS 71 2HG LYS 71 10.315 8.895 3.474 514 HG3 LYS 71 3HG LYS 71 10.983 8.173 2.008 515 HD2 LYS 71 2HD LYS 71 12.501 8.554 4.588 516 HD3 LYS 71 3HD LYS 71 11.733 7.047 4.085 517 HE2 LYS 71 2HE LYS 71 13.179 7.497 1.901 518 HE3 LYS 71 3HE LYS 71 14.178 8.381 3.054 519 HZ1 LYS 71 1HZ LYS 71 13.737 6.097 4.372 520 HZ2 LYS 71 2HZ LYS 71 15.088 6.376 3.394 521 HZ3 LYS 71 3HZ LYS 71 13.758 5.531 2.778 522 H SER 72 H SER 72 12.671 12.337 4.703 523 HA SER 72 HA SER 72 12.043 10.797 7.020 524 HB2 SER 72 2HB SER 72 13.589 13.395 6.897 525 HB3 SER 72 3HB SER 72 13.667 12.170 8.163 526 HG SER 72 HG SER 72 14.392 10.726 6.404 527 H ARG 73 H ARG 73 11.594 14.250 6.248 528 HA ARG 73 HA ARG 73 10.144 14.923 8.537 529 HB2 ARG 73 2HB ARG 73 9.294 16.843 7.166 530 HB3 ARG 73 3HB ARG 73 11.043 16.661 7.160 531 HG2 ARG 73 2HG ARG 73 10.904 15.554 4.972 532 HG3 ARG 73 3HG ARG 73 9.157 15.801 4.977 533 HD2 ARG 73 2HD ARG 73 9.673 17.686 3.860 534 HD3 ARG 73 3HD ARG 73 10.012 18.314 5.472 535 HE ARG 73 HE ARG 73 12.375 17.240 4.733 536 HH11 ARG 73 1HH1 ARG 73 10.192 19.471 3.193 537 HH12 ARG 73 2HH1 ARG 73 11.444 20.307 2.335 538 HH21 ARG 73 1HH2 ARG 73 14.033 18.333 3.609 539 HH22 ARG 73 2HH2 ARG 73 13.628 19.658 2.572 540 H MET 74 H MET 74 9.048 13.732 5.390 541 HA MET 74 HA MET 74 6.271 13.929 6.005 542 HB2 MET 74 2HB MET 74 7.716 12.319 3.893 543 HB3 MET 74 3HB MET 74 5.971 12.523 3.977 544 HG2 MET 74 2HG MET 74 7.964 14.751 3.628 545 HG3 MET 74 3HG MET 74 7.028 14.005 2.334 546 HE1 MET 74 1HE MET 74 4.336 14.017 2.317 547 HE2 MET 74 2HE MET 74 4.246 13.535 4.011 548 HE3 MET 74 3HE MET 74 3.357 14.952 3.449 549 H ALA 75 H ALA 75 8.718 11.455 6.383 550 HA ALA 75 HA ALA 75 7.171 9.194 6.761 551 HB1 ALA 75 1HB ALA 75 9.269 8.460 6.916 552 HB2 ALA 75 2HB ALA 75 9.865 10.035 7.440 553 HB3 ALA 75 3HB ALA 75 9.192 8.911 8.619 554 H GLN 76 H GLN 76 7.769 11.871 8.943 555 HA GLN 76 HA GLN 76 6.763 10.644 11.291 556 HB2 GLN 76 2HB GLN 76 8.192 12.634 11.359 557 HB3 GLN 76 3HB GLN 76 6.936 13.573 10.563 558 HG2 GLN 76 2HG GLN 76 6.328 14.162 12.621 559 HG3 GLN 76 3HG GLN 76 5.602 12.559 12.713 560 HE21 GLN 76 1HE2 GLN 76 7.340 10.822 13.278 561 HE22 GLN 76 2HE2 GLN 76 8.328 11.211 14.641 562 H LYS 77 H LYS 77 5.282 12.641 8.778 563 HA LYS 77 HA LYS 77 2.710 12.667 10.069 564 HB2 LYS 77 2HB LYS 77 3.934 13.876 7.699 565 HB3 LYS 77 3HB LYS 77 2.260 13.397 7.451 566 HG2 LYS 77 2HG LYS 77 2.172 15.622 8.172 567 HG3 LYS 77 3HG LYS 77 1.734 14.660 9.586 568 HD2 LYS 77 2HD LYS 77 3.348 15.687 10.719 569 HD3 LYS 77 3HD LYS 77 4.529 14.919 9.656 570 HE2 LYS 77 2HE LYS 77 5.107 16.997 9.071 571 HE3 LYS 77 3HE LYS 77 3.616 17.009 8.131 572 HZ1 LYS 77 1HZ LYS 77 4.025 18.073 10.869 573 HZ2 LYS 77 2HZ LYS 77 2.499 17.893 10.161 574 HZ3 LYS 77 3HZ LYS 77 3.631 18.944 9.473 575 H ASP 78 H ASP 78 0.867 11.545 9.471 576 HA ASP 78 HA ASP 78 1.132 9.467 7.426 577 HB2 ASP 78 2HB ASP 78 0.125 8.917 10.226 578 HB3 ASP 78 3HB ASP 78 0.221 7.756 8.905 579 H SER 79 H SER 79 -1.126 8.270 7.304 580 HA SER 79 HA SER 79 -2.973 10.105 6.324 581 HB2 SER 79 2HB SER 79 -4.200 7.617 7.256 582 HB3 SER 79 3HB SER 79 -4.074 8.266 5.622 583 HG SER 79 HG SER 79 -2.750 6.612 5.447 584 HA PRO 80 HA PRO 80 -5.313 11.582 9.727 585 HB2 PRO 80 2HB PRO 80 -7.843 11.584 8.743 586 HB3 PRO 80 3HB PRO 80 -6.607 12.732 8.217 587 HG2 PRO 80 2HG PRO 80 -7.537 10.212 6.896 588 HG3 PRO 80 3HG PRO 80 -7.185 11.791 6.170 589 HD2 PRO 80 2HD PRO 80 -5.440 9.723 6.076 590 HD3 PRO 80 3HD PRO 80 -4.911 11.416 6.152 591 H GLU 81 H GLU 81 -6.792 8.740 8.176 592 HA GLU 81 HA GLU 81 -8.320 7.982 10.446 593 HB2 GLU 81 2HB GLU 81 -7.412 6.316 8.092 594 HB3 GLU 81 3HB GLU 81 -8.652 5.855 9.251 595 HG2 GLU 81 2HG GLU 81 -9.232 8.435 8.124 596 HG3 GLU 81 3HG GLU 81 -8.993 7.236 6.854 597 H GLU 82 H GLU 82 -5.137 7.067 9.228 598 HA GLU 82 HA GLU 82 -4.625 4.928 10.954 599 HB2 GLU 82 2HB GLU 82 -3.076 6.657 9.184 600 HB3 GLU 82 3HB GLU 82 -2.160 6.128 10.587 601 HG2 GLU 82 2HG GLU 82 -2.736 3.793 10.044 602 HG3 GLU 82 3HG GLU 82 -3.561 4.362 8.594 603 H VAL 83 H VAL 83 -3.717 8.357 11.301 604 HA VAL 83 HA VAL 83 -2.566 8.119 13.852 605 HB VAL 83 HB VAL 83 -3.892 10.537 12.618 606 HG11 VAL 83 1HG1 VAL 83 -2.204 10.157 15.058 607 HG12 VAL 83 2HG1 VAL 83 -2.169 11.686 14.177 608 HG13 VAL 83 3HG1 VAL 83 -3.685 11.093 14.857 609 HG21 VAL 83 1HG2 VAL 83 -0.954 9.907 12.688 610 HG22 VAL 83 2HG2 VAL 83 -1.992 9.427 11.345 611 HG23 VAL 83 3HG2 VAL 83 -1.789 11.135 11.737 612 H LEU 84 H LEU 84 -5.881 8.610 12.813 613 HA LEU 84 HA LEU 84 -6.984 9.377 15.279 614 HB2 LEU 84 2HB LEU 84 -7.958 8.434 12.694 615 HB3 LEU 84 3HB LEU 84 -8.987 7.962 14.045 616 HG LEU 84 HG LEU 84 -8.173 10.800 13.425 617 HD11 LEU 84 1HD1 LEU 84 -9.592 10.453 11.690 618 HD12 LEU 84 2HD1 LEU 84 -10.789 10.778 12.943 619 HD13 LEU 84 3HD1 LEU 84 -10.420 9.115 12.486 620 HD21 LEU 84 1HD2 LEU 84 -9.979 9.535 15.460 621 HD22 LEU 84 2HD2 LEU 84 -10.186 11.212 14.953 622 HD23 LEU 84 3HD2 LEU 84 -8.675 10.698 15.705 623 H LYS 85 H LYS 85 -6.878 6.163 13.741 624 HA LYS 85 HA LYS 85 -7.981 4.764 15.920 625 HB2 LYS 85 2HB LYS 85 -7.856 3.855 13.630 626 HB3 LYS 85 3HB LYS 85 -6.106 3.746 13.775 627 HG2 LYS 85 2HG LYS 85 -7.454 2.396 15.953 628 HG3 LYS 85 3HG LYS 85 -7.942 1.770 14.376 629 HD2 LYS 85 2HD LYS 85 -5.065 2.155 15.180 630 HD3 LYS 85 3HD LYS 85 -5.944 0.646 15.433 631 HE2 LYS 85 2HE LYS 85 -5.706 1.975 12.744 632 HE3 LYS 85 3HE LYS 85 -4.543 0.786 13.331 633 HZ1 LYS 85 1HZ LYS 85 -6.006 -0.513 12.160 634 HZ2 LYS 85 2HZ LYS 85 -7.360 0.411 12.578 635 HZ3 LYS 85 3HZ LYS 85 -6.663 -0.630 13.714 636 H ALA 86 H ALA 86 -4.674 5.636 15.100 637 HA ALA 86 HA ALA 86 -3.329 4.024 16.954 638 HB1 ALA 86 1HB ALA 86 -1.540 4.979 16.050 639 HB2 ALA 86 2HB ALA 86 -2.629 5.978 15.087 640 HB3 ALA 86 3HB ALA 86 -2.025 6.571 16.635 641 H PHE 87 H PHE 87 -4.508 7.367 17.257 642 HA PHE 87 HA PHE 87 -3.644 7.727 19.923 643 HB2 PHE 87 2HB PHE 87 -4.162 9.628 18.490 644 HB3 PHE 87 3HB PHE 87 -5.844 9.118 18.382 645 HD1 PHE 87 HD1 PHE 87 -7.326 10.300 19.657 646 HD2 PHE 87 HD2 PHE 87 -3.339 9.814 21.064 647 HE1 PHE 87 HE1 PHE 87 -7.865 11.653 21.641 648 HE2 PHE 87 HE2 PHE 87 -3.871 11.164 23.050 649 HZ PHE 87 HZ PHE 87 -6.136 12.085 23.341 650 H GLN 88 H GLN 88 -6.789 6.817 18.547 651 HA GLN 88 HA GLN 88 -8.270 6.695 20.887 652 HB2 GLN 88 2HB GLN 88 -9.034 6.397 18.451 653 HB3 GLN 88 3HB GLN 88 -8.604 4.704 18.654 654 HG2 GLN 88 2HG GLN 88 -10.134 4.827 20.741 655 HG3 GLN 88 3HG GLN 88 -10.780 6.271 19.964 656 HE21 GLN 88 1HE2 GLN 88 -10.524 2.825 19.853 657 HE22 GLN 88 2HE2 GLN 88 -11.680 2.569 18.595 658 H LEU 89 H LEU 89 -6.206 4.225 19.413 659 HA LEU 89 HA LEU 89 -6.801 2.208 21.326 660 HB2 LEU 89 2HB LEU 89 -5.947 1.660 19.122 661 HB3 LEU 89 3HB LEU 89 -4.452 2.529 19.464 662 HG LEU 89 HG LEU 89 -5.124 0.312 21.300 663 HD11 LEU 89 1HD1 LEU 89 -5.768 -0.788 19.305 664 HD12 LEU 89 2HD1 LEU 89 -4.125 -1.318 19.664 665 HD13 LEU 89 3HD1 LEU 89 -4.408 -0.111 18.409 666 HD21 LEU 89 1HD2 LEU 89 -2.588 1.099 19.870 667 HD22 LEU 89 2HD2 LEU 89 -2.738 -0.042 21.207 668 HD23 LEU 89 3HD2 LEU 89 -3.067 1.671 21.468 669 H PHE 90 H PHE 90 -4.209 4.592 21.004 670 HA PHE 90 HA PHE 90 -2.608 3.712 23.128 671 HB2 PHE 90 2HB PHE 90 -2.543 5.806 21.285 672 HB3 PHE 90 3HB PHE 90 -2.601 6.602 22.854 673 HD1 PHE 90 HD1 PHE 90 -0.700 6.734 24.206 674 HD2 PHE 90 HD2 PHE 90 -0.740 4.089 20.871 675 HE1 PHE 90 HE1 PHE 90 1.709 6.332 24.501 676 HE2 PHE 90 HE2 PHE 90 1.669 3.682 21.161 677 HZ PHE 90 HZ PHE 90 2.897 4.803 22.978 678 H ASP 91 H ASP 91 -5.474 5.720 23.052 679 HA ASP 91 HA ASP 91 -5.707 5.473 25.940 680 HB2 ASP 91 2HB ASP 91 -6.001 8.203 24.701 681 HB3 ASP 91 3HB ASP 91 -5.897 7.782 26.409 682 H LEU 92 H LEU 92 -7.684 4.735 26.291 683 HA LEU 92 HA LEU 92 -9.721 4.594 24.409 684 HB2 LEU 92 2HB LEU 92 -11.212 4.219 26.436 685 HB3 LEU 92 3HB LEU 92 -9.860 3.112 26.204 686 HG LEU 92 HG LEU 92 -9.085 5.308 27.900 687 HD11 LEU 92 1HD1 LEU 92 -11.355 5.526 28.568 688 HD12 LEU 92 2HD1 LEU 92 -10.525 4.622 29.834 689 HD13 LEU 92 3HD1 LEU 92 -11.556 3.777 28.680 690 HD21 LEU 92 1HD2 LEU 92 -9.064 2.348 27.883 691 HD22 LEU 92 2HD2 LEU 92 -8.926 3.143 29.451 692 HD23 LEU 92 3HD2 LEU 92 -7.755 3.492 28.178 693 H ASP 93 H ASP 93 -8.975 7.091 26.749 694 HA ASP 93 HA ASP 93 -11.355 8.600 25.926 695 HB2 ASP 93 2HB ASP 93 -9.747 8.463 28.385 696 HB3 ASP 93 3HB ASP 93 -10.198 10.096 27.903 697 H LYS 94 H LYS 94 -10.923 11.072 25.918 698 HA LYS 94 HA LYS 94 -8.427 11.592 24.441 699 HB2 LYS 94 2HB LYS 94 -9.770 13.284 23.130 700 HB3 LYS 94 3HB LYS 94 -10.152 11.598 22.806 701 HG2 LYS 94 2HG LYS 94 -11.769 12.859 24.908 702 HG3 LYS 94 3HG LYS 94 -11.988 13.517 23.285 703 HD2 LYS 94 2HD LYS 94 -12.822 11.543 22.451 704 HD3 LYS 94 3HD LYS 94 -11.980 10.558 23.650 705 HE2 LYS 94 2HE LYS 94 -13.594 10.877 25.244 706 HE3 LYS 94 3HE LYS 94 -14.084 12.440 24.591 707 HZ1 LYS 94 1HZ LYS 94 -15.152 11.298 22.751 708 HZ2 LYS 94 2HZ LYS 94 -15.778 10.759 24.227 709 HZ3 LYS 94 3HZ LYS 94 -14.679 9.797 23.373 710 H LYS 95 H LYS 95 -7.695 12.203 26.639 711 HA LYS 95 HA LYS 95 -8.815 14.538 27.874 712 HB2 LYS 95 2HB LYS 95 -6.833 14.395 29.364 713 HB3 LYS 95 3HB LYS 95 -7.736 12.888 29.267 714 HG2 LYS 95 2HG LYS 95 -5.816 12.705 27.258 715 HG3 LYS 95 3HG LYS 95 -4.978 13.422 28.636 716 HD2 LYS 95 2HD LYS 95 -6.449 11.439 29.818 717 HD3 LYS 95 3HD LYS 95 -6.021 10.712 28.267 718 HE2 LYS 95 2HE LYS 95 -3.787 10.698 28.735 719 HE3 LYS 95 3HE LYS 95 -3.884 12.118 29.776 720 HZ1 LYS 95 1HZ LYS 95 -4.584 9.320 30.433 721 HZ2 LYS 95 2HZ LYS 95 -5.120 10.618 31.375 722 HZ3 LYS 95 3HZ LYS 95 -3.463 10.328 31.199 723 H GLY 96 H GLY 96 -6.165 13.860 25.675 724 HA2 GLY 96 2HA GLY 96 -5.007 15.297 24.291 725 HA3 GLY 96 3HA GLY 96 -6.048 16.597 24.850 726 H LYS 97 H LYS 97 -4.512 14.844 27.334 727 HA LYS 97 HA LYS 97 -2.539 17.010 27.646 728 HB2 LYS 97 2HB LYS 97 -4.183 15.491 29.642 729 HB3 LYS 97 3HB LYS 97 -2.650 16.202 30.129 730 HG2 LYS 97 2HG LYS 97 -3.613 18.371 29.084 731 HG3 LYS 97 3HG LYS 97 -5.167 17.550 29.255 732 HD2 LYS 97 2HD LYS 97 -3.201 17.934 31.509 733 HD3 LYS 97 3HD LYS 97 -4.555 19.018 31.183 734 HE2 LYS 97 2HE LYS 97 -4.977 16.072 31.550 735 HE3 LYS 97 3HE LYS 97 -4.857 17.153 32.937 736 HZ1 LYS 97 1HZ LYS 97 -6.644 18.197 30.997 737 HZ2 LYS 97 2HZ LYS 97 -6.932 17.822 32.620 738 HZ3 LYS 97 3HZ LYS 97 -7.104 16.628 31.434 739 H ILE 98 H ILE 98 -0.717 16.168 26.776 740 HA ILE 98 HA ILE 98 0.360 13.762 28.065 741 HB ILE 98 HB ILE 98 0.522 14.283 25.094 742 HG12 ILE 98 2HG1 ILE 98 -0.709 11.842 25.471 743 HG13 ILE 98 3HG1 ILE 98 -1.408 12.830 26.749 744 HG21 ILE 98 1HG2 ILE 98 2.424 13.099 25.411 745 HG22 ILE 98 2HG2 ILE 98 1.865 12.399 26.930 746 HG23 ILE 98 3HG2 ILE 98 1.302 11.738 25.394 747 HD11 ILE 98 1HD1 ILE 98 -2.418 12.695 24.289 748 HD12 ILE 98 2HD1 ILE 98 -2.541 14.135 25.301 749 HD13 ILE 98 3HD1 ILE 98 -1.294 14.035 24.058 750 H SER 99 H SER 99 2.438 13.932 28.665 751 HA SER 99 HA SER 99 3.751 16.431 28.559 752 HB2 SER 99 2HB SER 99 4.641 13.674 29.395 753 HB3 SER 99 3HB SER 99 5.734 15.057 29.439 754 HG SER 99 HG SER 99 4.526 15.985 30.991 755 H PHE 100 H PHE 100 5.167 17.268 27.156 756 HA PHE 100 HA PHE 100 5.499 16.229 24.591 757 HB2 PHE 100 2HB PHE 100 7.250 17.956 24.313 758 HB3 PHE 100 3HB PHE 100 5.792 18.598 25.064 759 HD1 PHE 100 HD1 PHE 100 9.303 17.714 25.576 760 HD2 PHE 100 HD2 PHE 100 5.793 19.331 27.359 761 HE1 PHE 100 HE1 PHE 100 10.654 18.576 27.444 762 HE2 PHE 100 HE2 PHE 100 7.138 20.197 29.229 763 HZ PHE 100 HZ PHE 100 9.571 19.820 29.273 764 H ALA 101 H ALA 101 7.478 15.890 27.471 765 HA ALA 101 HA ALA 101 9.778 14.807 26.279 766 HB1 ALA 101 1HB ALA 101 10.226 15.358 28.433 767 HB2 ALA 101 2HB ALA 101 8.634 14.863 29.009 768 HB3 ALA 101 3HB ALA 101 9.868 13.648 28.678 769 H ASN 102 H ASN 102 7.059 13.125 27.867 770 HA ASN 102 HA ASN 102 7.861 10.523 27.344 771 HB2 ASN 102 2HB ASN 102 5.515 11.824 28.317 772 HB3 ASN 102 3HB ASN 102 5.022 10.631 27.119 773 HD21 ASN 102 1HD2 ASN 102 5.250 8.481 27.553 774 HD22 ASN 102 2HD2 ASN 102 5.721 7.869 29.099 775 H LEU 103 H LEU 103 5.742 12.611 25.391 776 HA LEU 103 HA LEU 103 5.192 10.828 23.336 777 HB2 LEU 103 2HB LEU 103 4.249 13.167 23.778 778 HB3 LEU 103 3HB LEU 103 5.642 13.760 22.876 779 HG LEU 103 HG LEU 103 4.876 12.445 20.918 780 HD11 LEU 103 1HD1 LEU 103 3.614 10.729 22.083 781 HD12 LEU 103 2HD1 LEU 103 2.591 11.564 20.915 782 HD13 LEU 103 3HD1 LEU 103 2.450 11.935 22.633 783 HD21 LEU 103 1HD2 LEU 103 4.023 14.419 20.366 784 HD22 LEU 103 2HD2 LEU 103 3.678 14.798 22.053 785 HD23 LEU 103 3HD2 LEU 103 2.497 13.910 21.089 786 H LYS 104 H LYS 104 7.842 13.188 23.575 787 HA LYS 104 HA LYS 104 9.059 12.704 21.129 788 HB2 LYS 104 2HB LYS 104 9.586 14.395 23.110 789 HB3 LYS 104 3HB LYS 104 10.789 13.176 23.511 790 HG2 LYS 104 2HG LYS 104 10.652 14.120 20.701 791 HG3 LYS 104 3HG LYS 104 11.330 15.208 21.915 792 HD2 LYS 104 2HD LYS 104 12.236 12.355 21.619 793 HD3 LYS 104 3HD LYS 104 12.962 13.677 20.702 794 HE2 LYS 104 2HE LYS 104 13.180 14.784 23.067 795 HE3 LYS 104 3HE LYS 104 13.046 13.120 23.634 796 HZ1 LYS 104 1HZ LYS 104 15.361 14.109 23.128 797 HZ2 LYS 104 2HZ LYS 104 14.972 13.791 21.513 798 HZ3 LYS 104 3HZ LYS 104 15.016 12.527 22.637 799 H GLU 105 H GLU 105 9.771 11.175 24.268 800 HA GLU 105 HA GLU 105 11.766 9.442 23.434 801 HB2 GLU 105 2HB GLU 105 11.057 9.853 25.799 802 HB3 GLU 105 3HB GLU 105 9.659 8.827 25.510 803 HG2 GLU 105 2HG GLU 105 10.839 6.954 25.747 804 HG3 GLU 105 3HG GLU 105 12.178 7.565 24.777 805 H VAL 106 H VAL 106 8.257 8.879 23.539 806 HA VAL 106 HA VAL 106 8.243 6.247 22.630 807 HB VAL 106 HB VAL 106 6.163 8.360 22.049 808 HG11 VAL 106 1HG1 VAL 106 4.613 6.505 21.851 809 HG12 VAL 106 2HG1 VAL 106 5.942 6.308 20.706 810 HG13 VAL 106 3HG1 VAL 106 5.908 5.357 22.192 811 HG21 VAL 106 1HG2 VAL 106 5.766 8.403 24.234 812 HG22 VAL 106 2HG2 VAL 106 5.353 6.690 24.160 813 HG23 VAL 106 3HG2 VAL 106 7.007 7.183 24.523 814 H ALA 107 H ALA 107 8.227 9.280 20.805 815 HA ALA 107 HA ALA 107 7.876 8.188 18.246 816 HB1 ALA 107 1HB ALA 107 7.961 10.317 17.604 817 HB2 ALA 107 2HB ALA 107 8.198 10.726 19.304 818 HB3 ALA 107 3HB ALA 107 9.592 10.522 18.243 819 H LYS 108 H LYS 108 10.865 9.052 19.978 820 HA LYS 108 HA LYS 108 12.650 8.235 17.969 821 HB2 LYS 108 2HB LYS 108 13.102 8.273 20.959 822 HB3 LYS 108 3HB LYS 108 14.354 8.245 19.724 823 HG2 LYS 108 2HG LYS 108 12.338 10.459 19.872 824 HG3 LYS 108 3HG LYS 108 13.822 10.480 20.826 825 HD2 LYS 108 2HD LYS 108 14.705 9.836 18.294 826 HD3 LYS 108 3HD LYS 108 13.415 11.003 17.989 827 HE2 LYS 108 2HE LYS 108 14.517 12.472 19.730 828 HE3 LYS 108 3HE LYS 108 15.885 11.361 19.672 829 HZ1 LYS 108 1HZ LYS 108 16.406 13.073 18.188 830 HZ2 LYS 108 2HZ LYS 108 14.854 13.105 17.516 831 HZ3 LYS 108 3HZ LYS 108 15.888 11.805 17.195 832 H LEU 109 H LEU 109 11.041 6.469 20.536 833 HA LEU 109 HA LEU 109 12.566 4.121 20.485 834 HB2 LEU 109 2HB LEU 109 10.707 4.871 22.104 835 HB3 LEU 109 3HB LEU 109 9.603 4.135 20.943 836 HG LEU 109 HG LEU 109 11.053 2.016 21.263 837 HD11 LEU 109 1HD1 LEU 109 12.112 3.831 23.323 838 HD12 LEU 109 2HD1 LEU 109 12.860 2.443 22.534 839 HD13 LEU 109 3HD1 LEU 109 11.731 2.197 23.866 840 HD21 LEU 109 1HD2 LEU 109 9.675 2.328 23.783 841 HD22 LEU 109 2HD2 LEU 109 9.285 1.298 22.406 842 HD23 LEU 109 3HD2 LEU 109 8.723 2.969 22.444 843 H LEU 110 H LEU 110 10.113 5.320 18.334 844 HA LEU 110 HA LEU 110 9.507 2.848 17.063 845 HB2 LEU 110 2HB LEU 110 9.183 5.701 16.151 846 HB3 LEU 110 3HB LEU 110 8.571 4.306 15.265 847 HG LEU 110 HG LEU 110 7.722 4.979 18.076 848 HD11 LEU 110 1HD1 LEU 110 5.754 6.001 17.162 849 HD12 LEU 110 2HD1 LEU 110 6.277 5.642 15.517 850 HD13 LEU 110 3HD1 LEU 110 7.172 6.808 16.492 851 HD21 LEU 110 1HD2 LEU 110 7.344 2.682 17.498 852 HD22 LEU 110 2HD2 LEU 110 6.631 3.140 15.951 853 HD23 LEU 110 3HD2 LEU 110 5.799 3.531 17.456 854 H GLY 111 H GLY 111 12.197 4.914 16.939 855 HA2 GLY 111 2HA GLY 111 14.206 4.483 15.828 856 HA3 GLY 111 3HA GLY 111 13.373 3.300 14.830 857 H GLU 112 H GLU 112 11.908 6.395 15.130 858 HA GLU 112 HA GLU 112 12.566 6.945 12.332 859 HB2 GLU 112 2HB GLU 112 10.175 6.901 13.116 860 HB3 GLU 112 3HB GLU 112 10.526 8.334 14.073 861 HG2 GLU 112 2HG GLU 112 9.834 9.464 12.285 862 HG3 GLU 112 3HG GLU 112 11.419 9.083 11.613 863 H ASN 113 H ASN 113 13.769 8.638 11.699 864 HA ASN 113 HA ASN 113 14.686 10.506 13.786 865 HB2 ASN 113 2HB ASN 113 16.377 8.873 12.742 866 HB3 ASN 113 3HB ASN 113 16.237 9.855 11.286 867 HD21 ASN 113 1HD2 ASN 113 17.065 9.946 14.703 868 HD22 ASN 113 2HD2 ASN 113 18.140 11.295 14.594 869 HA PRO 114 HA PRO 114 12.358 12.915 10.552 870 HB2 PRO 114 2HB PRO 114 10.894 14.353 12.330 871 HB3 PRO 114 3HB PRO 114 10.388 12.771 11.726 872 HG2 PRO 114 2HG PRO 114 11.726 13.474 14.311 873 HG3 PRO 114 3HG PRO 114 10.384 12.353 14.014 874 HD2 PRO 114 2HD PRO 114 12.935 11.513 14.360 875 HD3 PRO 114 3HD PRO 114 11.785 10.665 13.305 876 H GLY 115 H GLY 115 12.152 15.368 10.460 877 HA2 GLY 115 2HA GLY 115 14.724 16.501 11.048 878 HA3 GLY 115 3HA GLY 115 13.384 17.312 10.252 879 H ASP 116 H ASP 116 15.305 17.953 12.565 880 HA ASP 116 HA ASP 116 13.957 18.138 14.975 881 HB2 ASP 116 2HB ASP 116 16.405 18.793 14.298 882 HB3 ASP 116 3HB ASP 116 15.709 20.396 14.074 883 H ASP 117 H ASP 117 13.787 20.237 12.154 884 HA ASP 117 HA ASP 117 12.357 22.362 13.266 885 HB2 ASP 117 2HB ASP 117 11.795 22.988 11.027 886 HB3 ASP 117 3HB ASP 117 13.411 22.289 10.978 887 H VAL 118 H VAL 118 11.267 19.261 12.011 888 HA VAL 118 HA VAL 118 8.488 19.856 12.079 889 HB VAL 118 HB VAL 118 9.860 17.165 12.185 890 HG11 VAL 118 1HG1 VAL 118 7.628 16.868 12.918 891 HG12 VAL 118 2HG1 VAL 118 7.001 17.959 11.680 892 HG13 VAL 118 3HG1 VAL 118 7.660 16.388 11.221 893 HG21 VAL 118 1HG2 VAL 118 9.035 18.956 9.932 894 HG22 VAL 118 2HG2 VAL 118 10.557 18.097 10.174 895 HG23 VAL 118 3HG2 VAL 118 9.107 17.208 9.711 896 H LEU 119 H LEU 119 10.783 18.680 14.433 897 HA LEU 119 HA LEU 119 8.867 17.738 16.319 898 HB2 LEU 119 2HB LEU 119 11.511 17.412 16.061 899 HB3 LEU 119 3HB LEU 119 11.502 18.704 17.260 900 HG LEU 119 HG LEU 119 11.687 16.600 18.390 901 HD11 LEU 119 1HD1 LEU 119 9.932 18.493 19.064 902 HD12 LEU 119 2HD1 LEU 119 10.163 17.023 20.009 903 HD13 LEU 119 3HD1 LEU 119 8.820 17.138 18.873 904 HD21 LEU 119 1HD2 LEU 119 9.496 15.817 16.543 905 HD22 LEU 119 2HD2 LEU 119 9.528 15.089 18.149 906 HD23 LEU 119 3HD2 LEU 119 10.913 14.909 17.071 907 H GLN 120 H GLN 120 10.920 20.657 16.281 908 HA GLN 120 HA GLN 120 9.746 21.881 18.511 909 HB2 GLN 120 2HB GLN 120 10.949 23.361 16.176 910 HB3 GLN 120 3HB GLN 120 10.889 23.867 17.859 911 HG2 GLN 120 2HG GLN 120 12.620 21.788 16.583 912 HG3 GLN 120 3HG GLN 120 13.091 23.196 17.534 913 HE21 GLN 120 1HE2 GLN 120 12.186 23.151 19.828 914 HE22 GLN 120 2HE2 GLN 120 12.322 21.645 20.665 915 H GLU 121 H GLU 121 9.028 22.189 15.053 916 HA GLU 121 HA GLU 121 7.059 24.182 15.287 917 HB2 GLU 121 2HB GLU 121 7.597 22.073 13.208 918 HB3 GLU 121 3HB GLU 121 6.253 23.196 13.056 919 HG2 GLU 121 2HG GLU 121 7.712 25.063 12.952 920 HG3 GLU 121 3HG GLU 121 9.102 24.080 13.409 921 H MET 122 H MET 122 6.810 20.642 15.224 922 HA MET 122 HA MET 122 4.036 20.422 15.280 923 HB2 MET 122 2HB MET 122 5.490 18.507 14.886 924 HB3 MET 122 3HB MET 122 6.111 18.612 16.527 925 HG2 MET 122 2HG MET 122 3.303 18.438 16.714 926 HG3 MET 122 3HG MET 122 3.828 17.219 15.555 927 HE1 MET 122 1HE MET 122 2.773 15.546 16.985 928 HE2 MET 122 2HE MET 122 3.490 14.825 18.426 929 HE3 MET 122 3HE MET 122 2.492 16.273 18.567 930 H ILE 123 H ILE 123 6.296 20.362 18.039 931 HA ILE 123 HA ILE 123 4.368 20.256 20.056 932 HB ILE 123 HB ILE 123 7.107 21.523 20.168 933 HG12 ILE 123 2HG1 ILE 123 7.106 19.144 19.482 934 HG13 ILE 123 3HG1 ILE 123 7.850 19.383 21.059 935 HG21 ILE 123 1HG2 ILE 123 6.060 22.325 22.069 936 HG22 ILE 123 2HG2 ILE 123 5.082 20.871 22.267 937 HG23 ILE 123 3HG2 ILE 123 6.803 20.835 22.651 938 HD11 ILE 123 1HD1 ILE 123 5.819 17.597 20.385 939 HD12 ILE 123 2HD1 ILE 123 6.432 17.970 21.996 940 HD13 ILE 123 3HD1 ILE 123 5.047 18.852 21.353 941 H ALA 124 H ALA 124 5.784 23.007 18.367 942 HA ALA 124 HA ALA 124 4.790 25.063 19.983 943 HB1 ALA 124 1HB ALA 124 5.489 26.511 18.351 944 HB2 ALA 124 2HB ALA 124 6.438 25.081 17.939 945 HB3 ALA 124 3HB ALA 124 4.969 25.456 17.037 946 H GLU 125 H GLU 125 3.375 23.547 17.092 947 HA GLU 125 HA GLU 125 1.029 25.114 17.057 948 HB2 GLU 125 2HB GLU 125 1.733 22.432 15.888 949 HB3 GLU 125 3HB GLU 125 0.125 23.118 15.705 950 HG2 GLU 125 2HG GLU 125 2.412 24.844 14.979 951 HG3 GLU 125 3HG GLU 125 2.063 23.478 13.922 952 H ALA 126 H ALA 126 1.591 21.807 18.259 953 HA ALA 126 HA ALA 126 -0.981 21.380 19.281 954 HB1 ALA 126 1HB ALA 126 1.387 20.166 20.626 955 HB2 ALA 126 2HB ALA 126 -0.159 19.437 20.188 956 HB3 ALA 126 3HB ALA 126 1.048 19.758 18.943 957 H ASP 127 H ASP 127 1.703 23.185 20.525 958 HA ASP 127 HA ASP 127 0.927 23.231 23.253 959 HB2 ASP 127 2HB ASP 127 3.203 23.796 22.542 960 HB3 ASP 127 3HB ASP 127 2.594 25.207 21.680 961 H GLU 128 H GLU 128 -0.039 25.041 20.443 962 HA GLU 128 HA GLU 128 -1.120 27.319 21.618 963 HB2 GLU 128 2HB GLU 128 -0.963 26.354 19.074 964 HB3 GLU 128 3HB GLU 128 -2.683 26.184 19.393 965 HG2 GLU 128 2HG GLU 128 -2.520 28.285 18.446 966 HG3 GLU 128 3HG GLU 128 -2.574 28.625 20.175 967 H ASP 129 H ASP 129 -2.274 24.052 21.580 968 HA ASP 129 HA ASP 129 -4.995 24.500 22.124 969 HB2 ASP 129 2HB ASP 129 -3.892 22.308 21.469 970 HB3 ASP 129 3HB ASP 129 -3.381 22.164 23.148 971 H GLY 130 H GLY 130 -2.170 24.338 24.221 972 HA2 GLY 130 2HA GLY 130 -3.770 25.528 26.364 973 HA3 GLY 130 3HA GLY 130 -2.938 24.020 26.714 974 H ASP 131 H ASP 131 -1.408 24.644 28.131 975 HA ASP 131 HA ASP 131 0.559 26.608 27.170 976 HB2 ASP 131 2HB ASP 131 -0.677 26.433 29.917 977 HB3 ASP 131 3HB ASP 131 0.835 27.283 29.611 978 H GLY 132 H GLY 132 1.950 24.954 26.522 979 HA2 GLY 132 2HA GLY 132 3.904 23.762 26.973 980 HA3 GLY 132 3HA GLY 132 3.508 23.809 28.685 981 H GLU 133 H GLU 133 1.044 22.766 26.519 982 HA GLU 133 HA GLU 133 1.598 19.961 27.227 983 HB2 GLU 133 2HB GLU 133 -1.023 21.448 27.281 984 HB3 GLU 133 3HB GLU 133 -0.938 19.692 27.241 985 HG2 GLU 133 2HG GLU 133 0.201 19.633 29.342 986 HG3 GLU 133 3HG GLU 133 0.360 21.388 29.358 987 H VAL 134 H VAL 134 0.937 18.378 25.722 988 HA VAL 134 HA VAL 134 0.601 19.429 22.993 989 HB VAL 134 HB VAL 134 1.672 16.737 23.851 990 HG11 VAL 134 1HG1 VAL 134 0.626 17.619 21.376 991 HG12 VAL 134 2HG1 VAL 134 2.375 17.472 21.191 992 HG13 VAL 134 3HG1 VAL 134 1.426 16.091 21.743 993 HG21 VAL 134 1HG2 VAL 134 3.734 17.959 22.620 994 HG22 VAL 134 2HG2 VAL 134 2.950 19.350 23.369 995 HG23 VAL 134 3HG2 VAL 134 3.478 17.993 24.365 996 H SER 135 H SER 135 -1.435 19.335 22.317 997 HA SER 135 HA SER 135 -3.077 17.021 23.111 998 HB2 SER 135 2HB SER 135 -3.808 19.373 23.815 999 HB3 SER 135 3HB SER 135 -4.157 19.655 22.109 1000 HG SER 135 HG SER 135 -5.403 17.553 22.386 1001 H PHE 136 H PHE 136 -3.073 15.560 21.532 1002 HA PHE 136 HA PHE 136 -2.448 15.965 18.863 1003 HB2 PHE 136 2HB PHE 136 -3.538 13.809 20.474 1004 HB3 PHE 136 3HB PHE 136 -4.233 13.819 18.856 1005 HD1 PHE 136 HD1 PHE 136 -1.299 13.153 20.852 1006 HD2 PHE 136 HD2 PHE 136 -2.749 13.632 16.879 1007 HE1 PHE 136 HE1 PHE 136 0.723 12.052 19.985 1008 HE2 PHE 136 HE2 PHE 136 -0.730 12.531 16.006 1009 HZ PHE 136 HZ PHE 136 1.009 11.739 17.559 1010 H GLU 137 H GLU 137 -5.486 16.370 20.532 1011 HA GLU 137 HA GLU 137 -7.300 16.326 18.451 1012 HB2 GLU 137 2HB GLU 137 -7.785 16.632 20.914 1013 HB3 GLU 137 3HB GLU 137 -7.368 18.327 20.709 1014 HG2 GLU 137 2HG GLU 137 -9.153 18.287 18.836 1015 HG3 GLU 137 3HG GLU 137 -9.706 16.815 19.632 1016 H GLU 138 H GLU 138 -5.089 18.893 19.411 1017 HA GLU 138 HA GLU 138 -6.133 20.907 17.729 1018 HB2 GLU 138 2HB GLU 138 -4.311 20.917 19.694 1019 HB3 GLU 138 3HB GLU 138 -3.220 20.880 18.315 1020 HG2 GLU 138 2HG GLU 138 -5.371 22.929 18.797 1021 HG3 GLU 138 3HG GLU 138 -3.646 23.155 19.078 1022 H PHE 139 H PHE 139 -3.357 18.715 17.307 1023 HA PHE 139 HA PHE 139 -2.582 19.544 14.772 1024 HB2 PHE 139 2HB PHE 139 -1.698 17.658 16.522 1025 HB3 PHE 139 3HB PHE 139 -2.393 16.640 15.265 1026 HD1 PHE 139 HD1 PHE 139 -0.394 19.795 15.302 1027 HD2 PHE 139 HD2 PHE 139 -0.816 15.825 13.825 1028 HE1 PHE 139 HE1 PHE 139 1.640 20.086 13.949 1029 HE2 PHE 139 HE2 PHE 139 1.218 16.110 12.470 1030 HZ PHE 139 HZ PHE 139 2.449 18.241 12.531 1031 H LYS 140 H LYS 140 -4.855 16.959 15.664 1032 HA LYS 140 HA LYS 140 -5.498 16.139 13.066 1033 HB2 LYS 140 2HB LYS 140 -6.084 15.091 15.381 1034 HB3 LYS 140 3HB LYS 140 -7.519 16.103 15.284 1035 HG2 LYS 140 2HG LYS 140 -8.078 13.934 14.473 1036 HG3 LYS 140 3HG LYS 140 -8.045 15.040 13.097 1037 HD2 LYS 140 2HD LYS 140 -5.445 14.067 13.279 1038 HD3 LYS 140 3HD LYS 140 -6.468 12.664 13.600 1039 HE2 LYS 140 2HE LYS 140 -7.071 14.478 11.298 1040 HE3 LYS 140 3HE LYS 140 -5.814 13.250 11.153 1041 HZ1 LYS 140 1HZ LYS 140 -8.518 12.545 12.102 1042 HZ2 LYS 140 2HZ LYS 140 -7.341 11.543 11.417 1043 HZ3 LYS 140 3HZ LYS 140 -8.180 12.647 10.448 1044 H SER 141 H SER 141 -6.972 18.598 15.147 1045 HA SER 141 HA SER 141 -9.147 19.258 13.532 1046 HB2 SER 141 2HB SER 141 -9.336 20.282 15.574 1047 HB3 SER 141 3HB SER 141 -7.612 20.636 15.676 1048 HG SER 141 HG SER 141 -9.669 22.120 14.571 1049 H VAL 142 H VAL 142 -5.888 20.681 13.612 1050 HA VAL 142 HA VAL 142 -6.276 22.591 11.604 1051 HB VAL 142 HB VAL 142 -3.725 21.138 12.323 1052 HG11 VAL 142 1HG1 VAL 142 -3.218 23.763 11.443 1053 HG12 VAL 142 2HG1 VAL 142 -2.777 22.249 10.650 1054 HG13 VAL 142 3HG1 VAL 142 -4.307 23.036 10.262 1055 HG21 VAL 142 1HG2 VAL 142 -4.986 22.404 14.147 1056 HG22 VAL 142 2HG2 VAL 142 -3.294 22.829 13.892 1057 HG23 VAL 142 3HG2 VAL 142 -4.569 23.866 13.253 1058 H MET 143 H MET 143 -5.013 19.272 11.388 1059 HA MET 143 HA MET 143 -4.433 19.207 8.679 1060 HB2 MET 143 2HB MET 143 -4.402 17.385 10.740 1061 HB3 MET 143 3HB MET 143 -5.642 16.732 9.678 1062 HG2 MET 143 2HG MET 143 -3.633 15.720 9.018 1063 HG3 MET 143 3HG MET 143 -3.976 16.946 7.800 1064 HE1 MET 143 1HE MET 143 -0.122 16.351 9.816 1065 HE2 MET 143 2HE MET 143 -1.545 15.849 10.728 1066 HE3 MET 143 3HE MET 143 -1.302 15.266 9.081 1067 H MET 144 H MET 144 -7.493 18.384 10.298 1068 HA MET 144 HA MET 144 -8.928 17.700 7.991 1069 HB2 MET 144 2HB MET 144 -9.487 17.539 10.589 1070 HB3 MET 144 3HB MET 144 -10.349 19.033 10.244 1071 HG2 MET 144 2HG MET 144 -11.665 17.915 8.547 1072 HG3 MET 144 3HG MET 144 -10.765 16.423 8.807 1073 HE1 MET 144 1HE MET 144 -12.194 19.154 11.129 1074 HE2 MET 144 2HE MET 144 -13.662 18.769 10.230 1075 HE3 MET 144 3HE MET 144 -13.539 18.351 11.940 1076 H GLN 145 H GLN 145 -8.599 20.805 9.676 1077 HA GLN 145 HA GLN 145 -10.377 22.306 8.157 1078 HB2 GLN 145 2HB GLN 145 -8.967 22.920 10.271 1079 HB3 GLN 145 3HB GLN 145 -7.790 23.492 9.095 1080 HG2 GLN 145 2HG GLN 145 -9.659 24.879 8.104 1081 HG3 GLN 145 3HG GLN 145 -10.590 24.473 9.545 1082 HE21 GLN 145 1HE2 GLN 145 -7.395 25.711 8.626 1083 HE22 GLN 145 2HE2 GLN 145 -7.295 26.883 9.891 1084 H MET 146 H MET 146 -6.915 21.719 7.615 1085 HA MET 146 HA MET 146 -6.682 23.288 5.292 1086 HB2 MET 146 2HB MET 146 -5.095 20.998 6.413 1087 HB3 MET 146 3HB MET 146 -4.693 21.687 4.846 1088 HG2 MET 146 2HG MET 146 -5.024 23.750 6.831 1089 HG3 MET 146 3HG MET 146 -3.834 22.555 7.341 1090 HE1 MET 146 1HE MET 146 -4.476 25.482 4.514 1091 HE2 MET 146 2HE MET 146 -4.201 25.682 6.245 1092 HE3 MET 146 3HE MET 146 -2.925 26.088 5.096 1093 H ARG 147 H ARG 147 -7.329 19.824 5.726 1094 HA ARG 147 HA ARG 147 -7.343 19.047 3.063 1095 HB2 ARG 147 2HB ARG 147 -8.770 18.044 5.501 1096 HB3 ARG 147 3HB ARG 147 -9.117 17.338 3.928 1097 HG2 ARG 147 2HG ARG 147 -6.266 17.548 4.498 1098 HG3 ARG 147 3HG ARG 147 -7.146 16.533 5.642 1099 HD2 ARG 147 2HD ARG 147 -7.636 16.197 2.719 1100 HD3 ARG 147 3HD ARG 147 -6.166 15.526 3.426 1101 HE ARG 147 HE ARG 147 -8.297 14.713 5.016 1102 HH11 ARG 147 1HH1 ARG 147 -7.166 14.274 1.752 1103 HH12 ARG 147 2HH1 ARG 147 -7.863 12.697 1.584 1104 HH21 ARG 147 1HH2 ARG 147 -9.219 12.638 4.806 1105 HH22 ARG 147 2HH2 ARG 147 -9.032 11.767 3.322 1106 H GLY 148 H GLY 148 -10.024 20.302 5.032 1107 HA2 GLY 148 2HA GLY 148 -12.007 20.114 3.039 1108 HA3 GLY 148 3HA GLY 148 -12.062 21.177 4.438 1109 H LYS 149 H LYS 149 -10.151 22.969 4.100 1110 HA LYS 149 HA LYS 149 -11.157 24.784 2.268 1111 HB2 LYS 149 2HB LYS 149 -8.305 24.697 3.264 1112 HB3 LYS 149 3HB LYS 149 -9.173 26.109 2.676 1113 HG2 LYS 149 2HG LYS 149 -10.606 24.867 4.841 1114 HG3 LYS 149 3HG LYS 149 -8.945 25.236 5.311 1115 HD2 LYS 149 2HD LYS 149 -10.238 27.381 3.806 1116 HD3 LYS 149 3HD LYS 149 -11.044 27.005 5.330 1117 HE2 LYS 149 2HE LYS 149 -8.648 27.076 6.321 1118 HE3 LYS 149 3HE LYS 149 -8.248 27.962 4.850 1119 HZ1 LYS 149 1HZ LYS 149 -9.878 29.615 5.399 1120 HZ2 LYS 149 2HZ LYS 149 -8.843 29.416 6.722 1121 HZ3 LYS 149 3HZ LYS 149 -10.393 28.738 6.751 Start of MODEL 14 1 H1 MET 1 H MET 1 0.519 0.319 -0.284 2 HA MET 1 HA MET 1 2.553 -1.118 -1.748 3 HB2 MET 1 2HB MET 1 -0.012 -0.236 -3.010 4 HB3 MET 1 3HB MET 1 1.474 -0.172 -3.948 5 HG2 MET 1 2HG MET 1 1.259 -2.316 -4.419 6 HG3 MET 1 3HG MET 1 1.385 -2.701 -2.704 7 HE1 MET 1 1HE MET 1 -0.998 -4.188 -1.600 8 HE2 MET 1 2HE MET 1 -0.341 -2.622 -1.124 9 HE3 MET 1 3HE MET 1 -2.075 -2.808 -1.387 10 H ALA 2 H ALA 2 0.653 1.823 -2.402 11 HA ALA 2 HA ALA 2 3.106 3.399 -1.978 12 HB1 ALA 2 1HB ALA 2 1.528 3.126 -4.379 13 HB2 ALA 2 2HB ALA 2 1.605 4.807 -3.849 14 HB3 ALA 2 3HB ALA 2 3.092 3.906 -4.142 15 H ALA 3 H ALA 3 2.900 5.236 -0.811 16 HA ALA 3 HA ALA 3 0.234 5.819 0.271 17 HB1 ALA 3 1HB ALA 3 2.959 5.924 1.351 18 HB2 ALA 3 2HB ALA 3 1.934 7.290 1.794 19 HB3 ALA 3 3HB ALA 3 1.421 5.645 2.168 20 H LEU 4 H LEU 4 -0.429 8.031 0.545 21 HA LEU 4 HA LEU 4 -0.260 9.590 -1.728 22 HB2 LEU 4 2HB LEU 4 -1.208 11.401 -0.395 23 HB3 LEU 4 3HB LEU 4 -2.010 9.864 -0.077 24 HG LEU 4 HG LEU 4 -0.144 9.917 1.906 25 HD11 LEU 4 1HD1 LEU 4 0.486 11.966 2.509 26 HD12 LEU 4 2HD1 LEU 4 -1.138 12.617 2.295 27 HD13 LEU 4 3HD1 LEU 4 -0.050 12.489 0.913 28 HD21 LEU 4 1HD2 LEU 4 -2.125 9.411 2.803 29 HD22 LEU 4 2HD2 LEU 4 -3.007 10.390 1.629 30 HD23 LEU 4 3HD2 LEU 4 -2.310 11.146 3.063 31 H THR 5 H THR 5 1.711 9.704 1.193 32 HA THR 5 HA THR 5 3.078 12.070 0.823 33 HB THR 5 HB THR 5 4.932 11.082 2.095 34 HG1 THR 5 HG1 THR 5 5.144 9.023 1.403 35 HG21 THR 5 1HG2 THR 5 2.108 10.818 2.918 36 HG22 THR 5 2HG2 THR 5 3.433 11.701 3.676 37 HG23 THR 5 3HG2 THR 5 3.285 9.960 3.912 38 H ASP 6 H ASP 6 3.795 8.886 -0.564 39 HA ASP 6 HA ASP 6 6.191 9.527 -1.840 40 HB2 ASP 6 2HB ASP 6 4.744 7.264 -1.599 41 HB3 ASP 6 3HB ASP 6 4.362 7.682 -3.267 42 H GLU 7 H GLU 7 2.855 9.731 -3.044 43 HA GLU 7 HA GLU 7 3.500 10.634 -5.630 44 HB2 GLU 7 2HB GLU 7 1.279 9.725 -4.894 45 HB3 GLU 7 3HB GLU 7 0.984 11.253 -4.076 46 HG2 GLU 7 2HG GLU 7 1.138 12.428 -6.211 47 HG3 GLU 7 3HG GLU 7 1.430 10.896 -7.031 48 H GLN 8 H GLN 8 3.045 12.315 -2.585 49 HA GLN 8 HA GLN 8 2.875 14.936 -3.608 50 HB2 GLN 8 2HB GLN 8 2.495 13.939 -1.182 51 HB3 GLN 8 3HB GLN 8 4.170 14.430 -0.968 52 HG2 GLN 8 2HG GLN 8 3.686 16.668 -1.173 53 HG3 GLN 8 3HG GLN 8 2.204 16.373 -2.080 54 HE21 GLN 8 1HE2 GLN 8 3.653 16.610 1.046 55 HE22 GLN 8 2HE2 GLN 8 2.189 16.559 1.963 56 H ILE 9 H ILE 9 5.658 13.222 -2.177 57 HA ILE 9 HA ILE 9 7.554 15.213 -2.742 58 HB ILE 9 HB ILE 9 9.250 13.410 -2.471 59 HG12 ILE 9 2HG1 ILE 9 6.810 11.649 -2.151 60 HG13 ILE 9 3HG1 ILE 9 7.969 11.572 -3.473 61 HG21 ILE 9 1HG2 ILE 9 8.942 13.197 -0.163 62 HG22 ILE 9 2HG2 ILE 9 8.077 14.675 -0.582 63 HG23 ILE 9 3HG2 ILE 9 7.184 13.179 -0.309 64 HD11 ILE 9 1HD1 ILE 9 9.708 11.133 -1.635 65 HD12 ILE 9 2HD1 ILE 9 8.314 10.769 -0.617 66 HD13 ILE 9 3HD1 ILE 9 8.603 9.835 -2.085 67 H ARG 10 H ARG 10 6.310 12.555 -4.660 68 HA ARG 10 HA ARG 10 8.272 12.576 -6.685 69 HB2 ARG 10 2HB ARG 10 6.721 10.715 -6.416 70 HB3 ARG 10 3HB ARG 10 5.363 11.762 -6.805 71 HG2 ARG 10 2HG ARG 10 5.958 10.371 -8.699 72 HG3 ARG 10 3HG ARG 10 6.245 12.074 -9.060 73 HD2 ARG 10 2HD ARG 10 8.608 11.805 -8.683 74 HD3 ARG 10 3HD ARG 10 8.370 10.145 -8.141 75 HE ARG 10 HE ARG 10 8.523 11.070 -10.846 76 HH11 ARG 10 1HH1 ARG 10 7.211 8.611 -8.761 77 HH12 ARG 10 2HH1 ARG 10 7.084 7.427 -10.020 78 HH21 ARG 10 1HH2 ARG 10 8.361 9.521 -12.512 79 HH22 ARG 10 2HH2 ARG 10 7.739 7.946 -12.153 80 H GLU 11 H GLU 11 5.091 14.161 -6.488 81 HA GLU 11 HA GLU 11 5.267 15.461 -8.988 82 HB2 GLU 11 2HB GLU 11 3.608 15.916 -6.524 83 HB3 GLU 11 3HB GLU 11 3.516 17.019 -7.890 84 HG2 GLU 11 2HG GLU 11 2.864 15.170 -9.343 85 HG3 GLU 11 3HG GLU 11 2.956 14.063 -7.975 86 H ALA 12 H ALA 12 6.210 16.409 -5.727 87 HA ALA 12 HA ALA 12 6.786 19.108 -6.247 88 HB1 ALA 12 1HB ALA 12 6.575 18.240 -3.987 89 HB2 ALA 12 2HB ALA 12 8.026 17.262 -4.210 90 HB3 ALA 12 3HB ALA 12 8.141 19.022 -4.205 91 H PHE 13 H PHE 13 9.002 16.315 -6.092 92 HA PHE 13 HA PHE 13 11.296 17.703 -6.912 93 HB2 PHE 13 2HB PHE 13 11.460 15.528 -5.850 94 HB3 PHE 13 3HB PHE 13 10.594 14.774 -7.185 95 HD1 PHE 13 HD1 PHE 13 11.984 13.405 -8.384 96 HD2 PHE 13 HD2 PHE 13 13.473 17.142 -6.993 97 HE1 PHE 13 HE1 PHE 13 14.120 12.975 -9.526 98 HE2 PHE 13 HE2 PHE 13 15.612 16.719 -8.134 99 HZ PHE 13 HZ PHE 13 15.937 14.633 -9.403 100 H ASN 14 H ASN 14 8.734 16.143 -8.732 101 HA ASN 14 HA ASN 14 9.995 16.152 -11.255 102 HB2 ASN 14 2HB ASN 14 7.859 14.916 -10.523 103 HB3 ASN 14 3HB ASN 14 7.021 16.428 -10.858 104 HD21 ASN 14 1HD2 ASN 14 6.660 13.898 -12.154 105 HD22 ASN 14 2HD2 ASN 14 7.037 14.129 -13.824 106 H LEU 15 H LEU 15 7.895 18.501 -9.639 107 HA LEU 15 HA LEU 15 7.732 20.308 -11.809 108 HB2 LEU 15 2HB LEU 15 6.531 20.086 -9.370 109 HB3 LEU 15 3HB LEU 15 7.591 21.472 -9.122 110 HG LEU 15 HG LEU 15 5.422 22.264 -9.755 111 HD11 LEU 15 1HD1 LEU 15 6.911 22.549 -12.317 112 HD12 LEU 15 2HD1 LEU 15 7.638 23.165 -10.833 113 HD13 LEU 15 3HD1 LEU 15 6.066 23.765 -11.359 114 HD21 LEU 15 1HD2 LEU 15 4.950 20.007 -10.991 115 HD22 LEU 15 2HD2 LEU 15 5.546 20.886 -12.399 116 HD23 LEU 15 3HD2 LEU 15 4.150 21.492 -11.507 117 H PHE 16 H PHE 16 9.780 20.269 -8.900 118 HA PHE 16 HA PHE 16 11.200 22.612 -9.392 119 HB2 PHE 16 2HB PHE 16 11.995 20.075 -7.963 120 HB3 PHE 16 3HB PHE 16 13.014 21.511 -7.996 121 HD1 PHE 16 HD1 PHE 16 11.256 23.712 -7.595 122 HD2 PHE 16 HD2 PHE 16 11.082 19.823 -5.875 123 HE1 PHE 16 HE1 PHE 16 10.034 24.625 -5.664 124 HE2 PHE 16 HE2 PHE 16 9.860 20.728 -3.942 125 HZ PHE 16 HZ PHE 16 9.334 23.132 -3.834 126 H ASP 17 H ASP 17 11.858 19.297 -10.448 127 HA ASP 17 HA ASP 17 14.297 19.942 -11.774 128 HB2 ASP 17 2HB ASP 17 13.427 17.635 -10.937 129 HB3 ASP 17 3HB ASP 17 12.601 17.570 -12.492 130 H ALA 18 H ALA 18 10.947 20.061 -12.646 131 HA ALA 18 HA ALA 18 11.066 19.910 -15.417 132 HB1 ALA 18 1HB ALA 18 8.955 20.972 -15.459 133 HB2 ALA 18 2HB ALA 18 9.006 20.044 -13.960 134 HB3 ALA 18 3HB ALA 18 9.253 21.790 -13.925 135 H ASP 19 H ASP 19 12.103 22.434 -13.280 136 HA ASP 19 HA ASP 19 12.056 24.662 -14.924 137 HB2 ASP 19 2HB ASP 19 13.849 23.795 -12.686 138 HB3 ASP 19 3HB ASP 19 14.237 25.255 -13.593 139 H GLY 20 H GLY 20 14.159 21.886 -15.006 140 HA2 GLY 20 2HA GLY 20 15.467 21.193 -16.806 141 HA3 GLY 20 3HA GLY 20 15.213 22.759 -17.562 142 H SER 21 H SER 21 16.301 22.574 -14.272 143 HA SER 21 HA SER 21 18.933 23.559 -15.147 144 HB2 SER 21 2HB SER 21 17.387 24.059 -12.596 145 HB3 SER 21 3HB SER 21 19.060 24.561 -12.839 146 HG SER 21 HG SER 21 16.746 25.669 -13.784 147 H GLY 22 H GLY 22 20.795 22.957 -13.842 148 HA2 GLY 22 2HA GLY 22 20.889 20.160 -13.365 149 HA3 GLY 22 3HA GLY 22 22.166 21.312 -13.004 150 H ALA 23 H ALA 23 20.284 22.893 -11.301 151 HA ALA 23 HA ALA 23 19.635 21.111 -9.116 152 HB1 ALA 23 1HB ALA 23 22.010 21.436 -8.741 153 HB2 ALA 23 2HB ALA 23 21.799 23.186 -8.796 154 HB3 ALA 23 3HB ALA 23 21.075 22.251 -7.487 155 H ILE 24 H ILE 24 18.741 22.371 -7.225 156 HA ILE 24 HA ILE 24 17.317 24.752 -8.221 157 HB ILE 24 HB ILE 24 16.350 22.857 -6.082 158 HG12 ILE 24 2HG1 ILE 24 14.697 22.702 -8.356 159 HG13 ILE 24 3HG1 ILE 24 16.348 22.579 -8.954 160 HG21 ILE 24 1HG2 ILE 24 14.470 24.562 -7.564 161 HG22 ILE 24 2HG2 ILE 24 14.545 24.179 -5.845 162 HG23 ILE 24 3HG2 ILE 24 15.601 25.420 -6.518 163 HD11 ILE 24 1HD1 ILE 24 16.503 20.487 -8.254 164 HD12 ILE 24 2HD1 ILE 24 15.987 20.931 -6.627 165 HD13 ILE 24 3HD1 ILE 24 14.785 20.554 -7.861 166 H ASP 25 H ASP 25 17.650 26.603 -7.185 167 HA ASP 25 HA ASP 25 19.203 26.575 -4.715 168 HB2 ASP 25 2HB ASP 25 18.367 29.048 -6.210 169 HB3 ASP 25 3HB ASP 25 19.767 28.812 -5.167 170 H ALA 26 H ALA 26 18.549 28.699 -3.330 171 HA ALA 26 HA ALA 26 16.111 28.001 -2.067 172 HB1 ALA 26 1HB ALA 26 18.058 30.252 -1.724 173 HB2 ALA 26 2HB ALA 26 16.541 30.214 -0.824 174 HB3 ALA 26 3HB ALA 26 17.709 28.905 -0.639 175 H GLU 27 H GLU 27 17.039 30.607 -4.266 176 HA GLU 27 HA GLU 27 14.678 32.112 -4.107 177 HB2 GLU 27 2HB GLU 27 15.353 33.041 -6.298 178 HB3 GLU 27 3HB GLU 27 16.673 33.018 -5.138 179 HG2 GLU 27 2HG GLU 27 17.129 30.675 -6.316 180 HG3 GLU 27 3HG GLU 27 16.323 31.499 -7.649 181 H GLU 28 H GLU 28 15.565 29.372 -6.152 182 HA GLU 28 HA GLU 28 13.275 29.427 -7.802 183 HB2 GLU 28 2HB GLU 28 15.528 27.638 -7.324 184 HB3 GLU 28 3HB GLU 28 14.044 26.767 -7.684 185 HG2 GLU 28 2HG GLU 28 14.299 27.187 -9.834 186 HG3 GLU 28 3HG GLU 28 14.268 28.920 -9.517 187 H MET 29 H MET 29 14.030 27.550 -4.877 188 HA MET 29 HA MET 29 11.646 26.103 -4.738 189 HB2 MET 29 2HB MET 29 13.877 25.992 -3.329 190 HB3 MET 29 3HB MET 29 12.975 27.023 -2.226 191 HG2 MET 29 2HG MET 29 11.163 25.289 -2.246 192 HG3 MET 29 3HG MET 29 12.275 24.246 -3.131 193 HE1 MET 29 1HE MET 29 11.952 22.848 0.506 194 HE2 MET 29 2HE MET 29 10.984 24.322 0.473 195 HE3 MET 29 3HE MET 29 10.954 23.216 -0.901 196 H ALA 30 H ALA 30 12.491 29.259 -3.362 197 HA ALA 30 HA ALA 30 10.084 29.687 -1.971 198 HB1 ALA 30 1HB ALA 30 11.163 32.166 -2.912 199 HB2 ALA 30 2HB ALA 30 11.178 31.491 -1.282 200 HB3 ALA 30 3HB ALA 30 12.475 31.099 -2.410 201 H LEU 31 H LEU 31 11.091 30.592 -5.250 202 HA LEU 31 HA LEU 31 8.847 32.083 -5.968 203 HB2 LEU 31 2HB LEU 31 11.155 31.108 -7.225 204 HB3 LEU 31 3HB LEU 31 9.800 30.517 -8.185 205 HG LEU 31 HG LEU 31 10.710 32.634 -9.037 206 HD11 LEU 31 1HD1 LEU 31 8.112 31.923 -8.809 207 HD12 LEU 31 2HD1 LEU 31 8.680 33.341 -9.689 208 HD13 LEU 31 3HD1 LEU 31 8.090 33.508 -8.036 209 HD21 LEU 31 1HD2 LEU 31 10.815 34.589 -7.828 210 HD22 LEU 31 2HD2 LEU 31 11.230 33.399 -6.594 211 HD23 LEU 31 3HD2 LEU 31 9.597 34.063 -6.666 212 H ALA 32 H ALA 32 9.482 28.615 -6.465 213 HA ALA 32 HA ALA 32 7.041 27.987 -7.685 214 HB1 ALA 32 1HB ALA 32 8.158 26.084 -7.911 215 HB2 ALA 32 2HB ALA 32 9.310 26.559 -6.662 216 HB3 ALA 32 3HB ALA 32 7.819 25.730 -6.216 217 H MET 33 H MET 33 8.000 27.866 -4.264 218 HA MET 33 HA MET 33 5.668 26.796 -3.206 219 HB2 MET 33 2HB MET 33 7.895 28.446 -2.175 220 HB3 MET 33 3HB MET 33 6.415 28.480 -1.224 221 HG2 MET 33 2HG MET 33 6.538 26.237 -0.704 222 HG3 MET 33 3HG MET 33 7.572 25.869 -2.082 223 HE1 MET 33 1HE MET 33 8.650 29.072 0.065 224 HE2 MET 33 2HE MET 33 7.392 28.204 0.945 225 HE3 MET 33 3HE MET 33 9.040 28.243 1.572 226 H LYS 34 H LYS 34 6.483 30.186 -3.859 227 HA LYS 34 HA LYS 34 4.123 31.309 -2.816 228 HB2 LYS 34 2HB LYS 34 6.258 32.526 -3.420 229 HB3 LYS 34 3HB LYS 34 5.751 32.424 -5.101 230 HG2 LYS 34 2HG LYS 34 3.569 33.545 -4.214 231 HG3 LYS 34 3HG LYS 34 4.605 34.031 -2.869 232 HD2 LYS 34 2HD LYS 34 5.582 34.467 -5.649 233 HD3 LYS 34 3HD LYS 34 4.335 35.544 -5.016 234 HE2 LYS 34 2HE LYS 34 6.150 35.401 -2.951 235 HE3 LYS 34 3HE LYS 34 7.177 35.388 -4.384 236 HZ1 LYS 34 1HZ LYS 34 5.863 37.565 -3.211 237 HZ2 LYS 34 2HZ LYS 34 5.196 37.327 -4.747 238 HZ3 LYS 34 3HZ LYS 34 6.864 37.556 -4.576 239 H GLY 35 H GLY 35 4.999 30.465 -6.168 240 HA2 GLY 35 2HA GLY 35 2.636 31.231 -7.411 241 HA3 GLY 35 3HA GLY 35 3.688 29.943 -7.978 242 H LEU 36 H LEU 36 3.390 28.222 -5.725 243 HA LEU 36 HA LEU 36 0.888 26.994 -6.446 244 HB2 LEU 36 2HB LEU 36 2.841 26.156 -4.312 245 HB3 LEU 36 3HB LEU 36 1.583 25.165 -5.049 246 HG LEU 36 HG LEU 36 3.672 26.278 -6.841 247 HD11 LEU 36 1HD1 LEU 36 4.407 24.917 -4.497 248 HD12 LEU 36 2HD1 LEU 36 5.414 25.286 -5.897 249 HD13 LEU 36 3HD1 LEU 36 4.546 23.753 -5.815 250 HD21 LEU 36 1HD2 LEU 36 2.485 23.518 -6.693 251 HD22 LEU 36 2HD2 LEU 36 3.293 24.288 -8.058 252 HD23 LEU 36 3HD2 LEU 36 1.704 24.854 -7.540 253 H GLY 37 H GLY 37 2.081 28.976 -3.866 254 HA2 GLY 37 2HA GLY 37 0.980 29.988 -2.120 255 HA3 GLY 37 3HA GLY 37 -0.525 29.442 -2.845 256 H PHE 38 H PHE 38 1.866 27.068 -2.118 257 HA PHE 38 HA PHE 38 0.483 26.367 0.378 258 HB2 PHE 38 2HB PHE 38 1.139 24.482 -1.894 259 HB3 PHE 38 3HB PHE 38 0.606 23.965 -0.298 260 HD1 PHE 38 HD1 PHE 38 -1.562 25.606 0.425 261 HD2 PHE 38 HD2 PHE 38 -0.510 24.201 -3.453 262 HE1 PHE 38 HE1 PHE 38 -3.907 25.825 -0.287 263 HE2 PHE 38 HE2 PHE 38 -2.853 24.418 -4.171 264 HZ PHE 38 HZ PHE 38 -4.555 25.232 -2.588 265 H GLY 39 H GLY 39 1.733 25.322 1.935 266 HA2 GLY 39 2HA GLY 39 3.649 24.737 3.059 267 HA3 GLY 39 3HA GLY 39 4.356 24.363 1.495 268 H ASP 40 H ASP 40 3.151 27.475 2.679 269 HA ASP 40 HA ASP 40 5.602 28.757 1.864 270 HB2 ASP 40 2HB ASP 40 3.305 29.771 1.596 271 HB3 ASP 40 3HB ASP 40 3.278 29.996 3.343 272 H LEU 41 H LEU 41 7.345 28.687 3.111 273 HA LEU 41 HA LEU 41 6.991 28.830 6.032 274 HB2 LEU 41 2HB LEU 41 8.944 27.368 4.313 275 HB3 LEU 41 3HB LEU 41 9.420 27.863 5.936 276 HG LEU 41 HG LEU 41 8.667 25.533 5.862 277 HD11 LEU 41 1HD1 LEU 41 8.382 26.827 7.911 278 HD12 LEU 41 2HD1 LEU 41 7.082 25.652 7.711 279 HD13 LEU 41 3HD1 LEU 41 6.791 27.356 7.363 280 HD21 LEU 41 1HD2 LEU 41 6.458 24.908 5.298 281 HD22 LEU 41 2HD2 LEU 41 7.025 25.938 3.984 282 HD23 LEU 41 3HD2 LEU 41 5.927 26.587 5.203 283 HA PRO 42 HA PRO 42 9.289 32.563 6.216 284 HB2 PRO 42 2HB PRO 42 10.742 32.232 8.485 285 HB3 PRO 42 3HB PRO 42 8.997 32.515 8.494 286 HG2 PRO 42 2HG PRO 42 10.500 29.940 8.764 287 HG3 PRO 42 3HG PRO 42 9.089 30.512 9.673 288 HD2 PRO 42 2HD PRO 42 8.888 28.740 7.636 289 HD3 PRO 42 3HD PRO 42 7.615 29.922 8.002 290 H ARG 43 H ARG 43 11.474 33.502 6.254 291 HA ARG 43 HA ARG 43 13.216 32.220 4.480 292 HB2 ARG 43 2HB ARG 43 14.822 34.011 5.065 293 HB3 ARG 43 3HB ARG 43 13.213 34.629 4.716 294 HG2 ARG 43 2HG ARG 43 13.517 35.807 6.594 295 HG3 ARG 43 3HG ARG 43 13.058 34.304 7.397 296 HD2 ARG 43 2HD ARG 43 15.570 33.738 7.284 297 HD3 ARG 43 3HD ARG 43 15.792 35.458 6.969 298 HE ARG 43 HE ARG 43 15.216 34.248 9.475 299 HH11 ARG 43 1HH1 ARG 43 14.620 37.097 7.566 300 HH12 ARG 43 2HH1 ARG 43 14.366 38.123 8.940 301 HH21 ARG 43 1HH2 ARG 43 14.885 35.587 11.291 302 HH22 ARG 43 2HH2 ARG 43 14.518 37.263 11.058 303 H ASP 44 H ASP 44 13.241 32.433 8.002 304 HA ASP 44 HA ASP 44 15.759 31.358 8.505 305 HB2 ASP 44 2HB ASP 44 14.978 30.888 10.723 306 HB3 ASP 44 3HB ASP 44 14.206 32.381 10.197 307 H GLU 45 H GLU 45 12.695 29.760 7.816 308 HA GLU 45 HA GLU 45 13.594 27.125 8.373 309 HB2 GLU 45 2HB GLU 45 11.166 28.129 8.044 310 HB3 GLU 45 3HB GLU 45 11.429 27.627 6.380 311 HG2 GLU 45 2HG GLU 45 11.925 25.697 8.597 312 HG3 GLU 45 3HG GLU 45 10.275 26.026 8.071 313 H VAL 46 H VAL 46 13.684 29.181 5.545 314 HA VAL 46 HA VAL 46 14.330 27.158 3.659 315 HB VAL 46 HB VAL 46 14.934 30.116 3.534 316 HG11 VAL 46 1HG1 VAL 46 15.499 27.905 1.743 317 HG12 VAL 46 2HG1 VAL 46 14.526 29.158 0.970 318 HG13 VAL 46 3HG1 VAL 46 16.079 29.570 1.700 319 HG21 VAL 46 1HG2 VAL 46 12.582 28.583 2.432 320 HG22 VAL 46 2HG2 VAL 46 12.543 29.623 3.855 321 HG23 VAL 46 3HG2 VAL 46 12.874 30.314 2.267 322 H GLU 47 H GLU 47 16.358 29.627 5.249 323 HA GLU 47 HA GLU 47 18.806 28.669 4.254 324 HB2 GLU 47 2HB GLU 47 19.830 30.003 6.079 325 HB3 GLU 47 3HB GLU 47 18.637 30.903 5.154 326 HG2 GLU 47 2HG GLU 47 18.001 31.509 7.238 327 HG3 GLU 47 3HG GLU 47 17.036 30.043 7.074 328 H ARG 48 H ARG 48 17.013 27.931 7.204 329 HA ARG 48 HA ARG 48 18.990 26.380 8.464 330 HB2 ARG 48 2HB ARG 48 16.914 27.275 9.545 331 HB3 ARG 48 3HB ARG 48 15.998 26.036 8.698 332 HG2 ARG 48 2HG ARG 48 17.685 24.410 9.847 333 HG3 ARG 48 3HG ARG 48 17.919 25.761 10.957 334 HD2 ARG 48 2HD ARG 48 15.306 25.777 11.018 335 HD3 ARG 48 3HD ARG 48 15.480 24.117 10.450 336 HE ARG 48 HE ARG 48 16.245 23.515 12.529 337 HH11 ARG 48 1HH1 ARG 48 16.241 26.986 12.252 338 HH12 ARG 48 2HH1 ARG 48 16.577 27.250 13.931 339 HH21 ARG 48 1HH2 ARG 48 16.688 23.850 14.741 340 HH22 ARG 48 2HH2 ARG 48 16.833 25.466 15.346 341 H THR 49 H THR 49 16.270 25.432 6.379 342 HA THR 49 HA THR 49 16.734 22.669 6.429 343 HB THR 49 HB THR 49 15.502 24.332 4.223 344 HG1 THR 49 HG1 THR 49 14.391 22.952 6.456 345 HG21 THR 49 1HG2 THR 49 14.385 22.197 3.596 346 HG22 THR 49 2HG2 THR 49 15.431 21.359 4.742 347 HG23 THR 49 3HG2 THR 49 16.130 22.177 3.345 348 H VAL 50 H VAL 50 17.926 25.179 4.227 349 HA VAL 50 HA VAL 50 19.271 23.474 2.440 350 HB VAL 50 HB VAL 50 19.922 26.336 3.159 351 HG11 VAL 50 1HG1 VAL 50 21.816 25.618 2.044 352 HG12 VAL 50 2HG1 VAL 50 20.916 24.495 1.022 353 HG13 VAL 50 3HG1 VAL 50 20.821 26.231 0.723 354 HG21 VAL 50 1HG2 VAL 50 17.636 25.325 1.975 355 HG22 VAL 50 2HG2 VAL 50 18.208 26.992 1.890 356 HG23 VAL 50 3HG2 VAL 50 18.621 25.852 0.610 357 H ARG 51 H ARG 51 20.306 25.042 5.432 358 HA ARG 51 HA ARG 51 23.035 24.336 5.253 359 HB2 ARG 51 2HB ARG 51 22.288 26.093 6.754 360 HB3 ARG 51 3HB ARG 51 21.318 24.943 7.664 361 HG2 ARG 51 2HG ARG 51 24.128 24.191 7.484 362 HG3 ARG 51 3HG ARG 51 23.859 25.740 8.285 363 HD2 ARG 51 2HD ARG 51 22.384 23.211 8.992 364 HD3 ARG 51 3HD ARG 51 23.859 23.739 9.800 365 HE ARG 51 HE ARG 51 21.981 25.828 9.847 366 HH11 ARG 51 1HH1 ARG 51 22.538 22.682 11.230 367 HH12 ARG 51 2HH1 ARG 51 21.662 23.023 12.685 368 HH21 ARG 51 1HH2 ARG 51 20.825 26.289 11.759 369 HH22 ARG 51 2HH2 ARG 51 20.687 25.075 12.985 370 H SER 52 H SER 52 20.247 22.753 6.748 371 HA SER 52 HA SER 52 21.681 20.652 7.973 372 HB2 SER 52 2HB SER 52 18.796 20.873 7.096 373 HB3 SER 52 3HB SER 52 19.432 19.492 7.990 374 HG SER 52 HG SER 52 18.444 21.441 9.146 375 H MET 53 H MET 53 19.947 20.833 4.874 376 HA MET 53 HA MET 53 20.531 18.188 4.068 377 HB2 MET 53 2HB MET 53 19.817 20.642 2.457 378 HB3 MET 53 3HB MET 53 19.931 19.022 1.780 379 HG2 MET 53 2HG MET 53 18.186 18.314 3.433 380 HG3 MET 53 3HG MET 53 17.986 20.015 3.843 381 HE1 MET 53 1HE MET 53 18.414 20.918 0.242 382 HE2 MET 53 2HE MET 53 16.832 21.617 0.587 383 HE3 MET 53 3HE MET 53 18.110 21.686 1.801 384 H ASN 54 H ASN 54 21.842 21.211 2.694 385 HA ASN 54 HA ASN 54 24.149 19.774 1.690 386 HB2 ASN 54 2HB ASN 54 22.775 21.829 0.652 387 HB3 ASN 54 3HB ASN 54 24.009 22.739 1.518 388 HD21 ASN 54 1HD2 ASN 54 24.866 23.481 -0.435 389 HD22 ASN 54 2HD2 ASN 54 25.827 22.463 -1.449 390 H THR 55 H THR 55 25.542 19.231 3.279 391 HA THR 55 HA THR 55 26.079 20.569 5.632 392 HB THR 55 HB THR 55 26.894 18.313 5.249 393 HG1 THR 55 HG1 THR 55 28.099 19.274 6.803 394 HG21 THR 55 1HG2 THR 55 28.560 17.732 3.706 395 HG22 THR 55 2HG2 THR 55 29.048 19.409 3.464 396 HG23 THR 55 3HG2 THR 55 27.516 18.834 2.809 397 H ASN 56 H ASN 56 27.276 21.207 2.415 398 HA ASN 56 HA ASN 56 28.888 23.426 3.491 399 HB2 ASN 56 2HB ASN 56 30.028 23.224 1.150 400 HB3 ASN 56 3HB ASN 56 30.459 22.085 2.422 401 HD21 ASN 56 1HD2 ASN 56 30.370 20.009 1.950 402 HD22 ASN 56 2HD2 ASN 56 29.537 19.311 0.607 403 H ALA 57 H ALA 57 27.532 25.134 3.391 404 HA ALA 57 HA ALA 57 25.567 25.568 1.432 405 HB1 ALA 57 1HB ALA 57 25.004 27.093 2.941 406 HB2 ALA 57 2HB ALA 57 26.570 26.933 3.737 407 HB3 ALA 57 3HB ALA 57 26.367 28.081 2.413 408 H ASN 58 H ASN 58 26.190 25.518 -0.666 409 HA ASN 58 HA ASN 58 28.199 27.504 -1.503 410 HB2 ASN 58 2HB ASN 58 27.909 24.641 -2.209 411 HB3 ASN 58 3HB ASN 58 28.299 25.730 -3.537 412 HD21 ASN 58 1HD2 ASN 58 29.281 24.988 -0.215 413 HD22 ASN 58 2HD2 ASN 58 30.971 25.227 -0.478 414 H GLY 59 H GLY 59 25.082 27.208 -1.352 415 HA2 GLY 59 2HA GLY 59 23.400 28.300 -2.501 416 HA3 GLY 59 3HA GLY 59 24.593 28.801 -3.689 417 H LEU 60 H LEU 60 24.347 25.441 -2.944 418 HA LEU 60 HA LEU 60 22.652 24.960 -5.286 419 HB2 LEU 60 2HB LEU 60 25.470 24.088 -4.884 420 HB3 LEU 60 3HB LEU 60 24.359 22.994 -5.705 421 HG LEU 60 HG LEU 60 23.966 25.355 -7.047 422 HD11 LEU 60 1HD1 LEU 60 26.848 25.303 -7.246 423 HD12 LEU 60 2HD1 LEU 60 26.315 25.758 -5.628 424 HD13 LEU 60 3HD1 LEU 60 25.756 26.671 -7.029 425 HD21 LEU 60 1HD2 LEU 60 24.123 23.587 -8.442 426 HD22 LEU 60 2HD2 LEU 60 25.410 22.824 -7.509 427 HD23 LEU 60 3HD2 LEU 60 25.786 24.149 -8.612 428 H ILE 61 H ILE 61 21.414 23.117 -5.188 429 HA ILE 61 HA ILE 61 21.617 21.555 -2.697 430 HB ILE 61 HB ILE 61 19.101 22.255 -4.215 431 HG12 ILE 61 2HG1 ILE 61 19.927 23.128 -1.444 432 HG13 ILE 61 3HG1 ILE 61 20.197 24.106 -2.882 433 HG21 ILE 61 1HG2 ILE 61 18.742 20.135 -3.280 434 HG22 ILE 61 2HG2 ILE 61 19.613 20.544 -1.802 435 HG23 ILE 61 3HG2 ILE 61 18.033 21.261 -2.122 436 HD11 ILE 61 1HD1 ILE 61 18.148 24.912 -2.741 437 HD12 ILE 61 2HD1 ILE 61 17.470 23.285 -2.816 438 HD13 ILE 61 3HD1 ILE 61 17.907 23.988 -1.258 439 H GLU 62 H GLU 62 21.742 19.400 -2.877 440 HA GLU 62 HA GLU 62 21.843 18.248 -5.536 441 HB2 GLU 62 2HB GLU 62 22.404 17.075 -2.808 442 HB3 GLU 62 3HB GLU 62 22.584 16.193 -4.318 443 HG2 GLU 62 2HG GLU 62 24.018 18.589 -4.622 444 HG3 GLU 62 3HG GLU 62 24.417 17.961 -3.024 445 H TYR 63 H TYR 63 20.471 16.730 -6.362 446 HA TYR 63 HA TYR 63 17.800 16.719 -5.479 447 HB2 TYR 63 2HB TYR 63 17.421 15.032 -7.202 448 HB3 TYR 63 3HB TYR 63 18.456 16.315 -7.820 449 HD1 TYR 63 HD1 TYR 63 18.260 12.788 -6.900 450 HD2 TYR 63 HD2 TYR 63 20.826 15.896 -8.264 451 HE1 TYR 63 HE1 TYR 63 19.930 11.109 -7.565 452 HE2 TYR 63 HE2 TYR 63 22.502 14.226 -8.934 453 HH TYR 63 HH TYR 63 22.309 11.597 -9.621 454 H GLY 64 H GLY 64 20.465 14.469 -4.985 455 HA2 GLY 64 2HA GLY 64 18.965 12.355 -3.866 456 HA3 GLY 64 3HA GLY 64 20.684 12.630 -3.628 457 H GLU 65 H GLU 65 20.851 14.922 -2.263 458 HA GLU 65 HA GLU 65 20.128 14.169 0.357 459 HB2 GLU 65 2HB GLU 65 20.961 16.903 -0.626 460 HB3 GLU 65 3HB GLU 65 21.011 16.335 1.037 461 HG2 GLU 65 2HG GLU 65 22.540 14.931 -1.117 462 HG3 GLU 65 3HG GLU 65 23.185 16.367 -0.324 463 H PHE 66 H PHE 66 18.593 16.190 -2.038 464 HA PHE 66 HA PHE 66 16.790 17.533 -0.325 465 HB2 PHE 66 2HB PHE 66 17.256 18.317 -2.598 466 HB3 PHE 66 3HB PHE 66 16.524 16.860 -3.263 467 HD1 PHE 66 HD1 PHE 66 14.100 16.518 -3.130 468 HD2 PHE 66 HD2 PHE 66 15.924 20.129 -1.806 469 HE1 PHE 66 HE1 PHE 66 11.907 17.634 -3.164 470 HE2 PHE 66 HE2 PHE 66 13.734 21.250 -1.838 471 HZ PHE 66 HZ PHE 66 11.722 20.003 -2.517 472 H GLU 67 H GLU 67 16.252 14.752 -2.496 473 HA GLU 67 HA GLU 67 13.650 14.193 -1.598 474 HB2 GLU 67 2HB GLU 67 13.892 12.056 -2.727 475 HB3 GLU 67 3HB GLU 67 14.582 13.337 -3.714 476 HG2 GLU 67 2HG GLU 67 16.821 12.709 -2.960 477 HG3 GLU 67 3HG GLU 67 16.125 11.418 -1.983 478 H ARG 68 H ARG 68 16.805 13.140 -0.468 479 HA ARG 68 HA ARG 68 15.951 11.078 1.243 480 HB2 ARG 68 2HB ARG 68 18.282 11.302 0.621 481 HB3 ARG 68 3HB ARG 68 18.374 12.876 1.399 482 HG2 ARG 68 2HG ARG 68 17.485 10.755 3.190 483 HG3 ARG 68 3HG ARG 68 19.096 10.489 2.522 484 HD2 ARG 68 2HD ARG 68 18.618 13.232 3.417 485 HD3 ARG 68 3HD ARG 68 18.515 12.033 4.706 486 HE ARG 68 HE ARG 68 20.836 11.667 3.090 487 HH11 ARG 68 1HH1 ARG 68 19.501 13.562 5.688 488 HH12 ARG 68 2HH1 ARG 68 21.044 13.937 6.382 489 HH21 ARG 68 1HH2 ARG 68 22.873 12.153 3.994 490 HH22 ARG 68 2HH2 ARG 68 22.961 13.136 5.416 491 H MET 69 H MET 69 16.600 14.516 1.885 492 HA MET 69 HA MET 69 15.967 14.442 4.628 493 HB2 MET 69 2HB MET 69 17.221 16.291 3.719 494 HB3 MET 69 3HB MET 69 15.899 16.715 2.639 495 HG2 MET 69 2HG MET 69 15.915 18.263 4.446 496 HG3 MET 69 3HG MET 69 14.508 17.218 4.629 497 HE1 MET 69 1HE MET 69 18.194 17.597 5.446 498 HE2 MET 69 2HE MET 69 17.551 18.706 6.657 499 HE3 MET 69 3HE MET 69 18.324 17.202 7.160 500 H VAL 70 H VAL 70 14.012 15.462 1.829 501 HA VAL 70 HA VAL 70 11.674 16.124 3.143 502 HB VAL 70 HB VAL 70 11.864 14.746 0.460 503 HG11 VAL 70 1HG1 VAL 70 9.722 16.512 1.640 504 HG12 VAL 70 2HG1 VAL 70 9.749 15.901 -0.015 505 HG13 VAL 70 3HG1 VAL 70 9.598 14.779 1.338 506 HG21 VAL 70 1HG2 VAL 70 12.789 16.591 -0.357 507 HG22 VAL 70 2HG2 VAL 70 11.476 17.573 0.293 508 HG23 VAL 70 3HG2 VAL 70 12.900 17.239 1.279 509 H LYS 71 H LYS 71 12.711 12.938 1.972 510 HA LYS 71 HA LYS 71 10.383 11.534 2.682 511 HB2 LYS 71 2HB LYS 71 12.243 10.723 1.182 512 HB3 LYS 71 3HB LYS 71 13.187 10.414 2.634 513 HG2 LYS 71 2HG LYS 71 10.493 9.229 2.589 514 HG3 LYS 71 3HG LYS 71 11.645 8.576 1.422 515 HD2 LYS 71 2HD LYS 71 12.320 8.906 4.335 516 HD3 LYS 71 3HD LYS 71 11.544 7.450 3.706 517 HE2 LYS 71 2HE LYS 71 13.668 7.918 1.975 518 HE3 LYS 71 3HE LYS 71 14.316 8.280 3.574 519 HZ1 LYS 71 1HZ LYS 71 14.641 5.969 3.071 520 HZ2 LYS 71 2HZ LYS 71 12.997 5.754 2.738 521 HZ3 LYS 71 3HZ LYS 71 13.502 6.098 4.315 522 H SER 72 H SER 72 13.125 12.594 4.542 523 HA SER 72 HA SER 72 12.665 10.879 6.783 524 HB2 SER 72 2HB SER 72 14.875 11.921 6.268 525 HB3 SER 72 3HB SER 72 14.195 13.490 6.700 526 HG SER 72 HG SER 72 14.702 11.260 8.350 527 H ARG 73 H ARG 73 12.126 14.362 6.246 528 HA ARG 73 HA ARG 73 10.830 14.885 8.664 529 HB2 ARG 73 2HB ARG 73 9.867 16.863 7.470 530 HB3 ARG 73 3HB ARG 73 11.612 16.707 7.319 531 HG2 ARG 73 2HG ARG 73 11.293 15.694 5.090 532 HG3 ARG 73 3HG ARG 73 9.557 15.972 5.246 533 HD2 ARG 73 2HD ARG 73 10.747 17.715 3.928 534 HD3 ARG 73 3HD ARG 73 9.880 18.343 5.328 535 HE ARG 73 HE ARG 73 12.622 17.763 5.900 536 HH11 ARG 73 1HH1 ARG 73 10.458 20.121 4.528 537 HH12 ARG 73 2HH1 ARG 73 11.518 21.458 4.827 538 HH21 ARG 73 1HH2 ARG 73 14.025 19.516 6.298 539 HH22 ARG 73 2HH2 ARG 73 13.547 21.113 5.833 540 H MET 74 H MET 74 9.524 13.876 5.530 541 HA MET 74 HA MET 74 6.799 13.979 6.354 542 HB2 MET 74 2HB MET 74 8.107 12.522 4.051 543 HB3 MET 74 3HB MET 74 6.371 12.697 4.269 544 HG2 MET 74 2HG MET 74 8.312 14.969 3.917 545 HG3 MET 74 3HG MET 74 7.294 14.289 2.650 546 HE1 MET 74 1HE MET 74 4.609 14.267 2.817 547 HE2 MET 74 2HE MET 74 4.640 13.681 4.480 548 HE3 MET 74 3HE MET 74 3.702 15.117 4.069 549 H ALA 75 H ALA 75 9.302 11.538 6.421 550 HA ALA 75 HA ALA 75 7.843 9.220 6.747 551 HB1 ALA 75 1HB ALA 75 9.944 8.500 6.815 552 HB2 ALA 75 2HB ALA 75 10.539 10.090 7.297 553 HB3 ALA 75 3HB ALA 75 9.972 8.953 8.520 554 H GLN 76 H GLN 76 8.473 11.776 9.065 555 HA GLN 76 HA GLN 76 7.584 10.377 11.366 556 HB2 GLN 76 2HB GLN 76 8.964 12.317 11.650 557 HB3 GLN 76 3HB GLN 76 7.829 13.324 10.762 558 HG2 GLN 76 2HG GLN 76 7.704 13.735 13.154 559 HG3 GLN 76 3HG GLN 76 6.190 13.079 12.534 560 HE21 GLN 76 1HE2 GLN 76 9.220 11.468 13.391 561 HE22 GLN 76 2HE2 GLN 76 8.535 10.435 14.595 562 H LYS 77 H LYS 77 5.980 12.552 9.080 563 HA LYS 77 HA LYS 77 3.460 12.419 10.464 564 HB2 LYS 77 2HB LYS 77 4.444 14.295 8.893 565 HB3 LYS 77 3HB LYS 77 3.695 13.331 7.626 566 HG2 LYS 77 2HG LYS 77 1.975 14.735 8.082 567 HG3 LYS 77 3HG LYS 77 1.616 13.469 9.258 568 HD2 LYS 77 2HD LYS 77 3.478 15.411 10.323 569 HD3 LYS 77 3HD LYS 77 1.987 16.180 9.775 570 HE2 LYS 77 2HE LYS 77 2.184 13.845 11.677 571 HE3 LYS 77 3HE LYS 77 1.844 15.516 12.125 572 HZ1 LYS 77 1HZ LYS 77 -0.250 14.629 12.012 573 HZ2 LYS 77 2HZ LYS 77 0.124 13.579 10.740 574 HZ3 LYS 77 3HZ LYS 77 -0.092 15.230 10.439 575 H ASP 78 H ASP 78 1.517 11.510 9.602 576 HA ASP 78 HA ASP 78 1.844 9.486 7.515 577 HB2 ASP 78 2HB ASP 78 1.613 8.906 10.319 578 HB3 ASP 78 3HB ASP 78 0.184 8.310 9.478 579 H SER 79 H SER 79 -0.467 8.383 7.233 580 HA SER 79 HA SER 79 -2.152 10.322 6.164 581 HB2 SER 79 2HB SER 79 -2.405 7.420 6.774 582 HB3 SER 79 3HB SER 79 -3.892 8.310 6.451 583 HG SER 79 HG SER 79 -3.214 8.744 4.433 584 HA PRO 80 HA PRO 80 -4.633 11.872 9.433 585 HB2 PRO 80 2HB PRO 80 -7.090 12.016 8.288 586 HB3 PRO 80 3HB PRO 80 -5.766 13.107 7.861 587 HG2 PRO 80 2HG PRO 80 -6.733 10.654 6.442 588 HG3 PRO 80 3HG PRO 80 -6.255 12.223 5.766 589 HD2 PRO 80 2HD PRO 80 -4.613 10.070 5.752 590 HD3 PRO 80 3HD PRO 80 -4.007 11.733 5.889 591 H GLU 81 H GLU 81 -5.982 9.041 7.781 592 HA GLU 81 HA GLU 81 -7.790 8.354 9.867 593 HB2 GLU 81 2HB GLU 81 -6.740 6.964 7.432 594 HB3 GLU 81 3HB GLU 81 -7.632 6.043 8.636 595 HG2 GLU 81 2HG GLU 81 -9.606 7.087 8.181 596 HG3 GLU 81 3HG GLU 81 -8.826 8.572 7.640 597 H GLU 82 H GLU 82 -4.519 7.321 9.011 598 HA GLU 82 HA GLU 82 -4.232 5.227 10.824 599 HB2 GLU 82 2HB GLU 82 -2.602 6.513 8.992 600 HB3 GLU 82 3HB GLU 82 -1.811 6.827 10.530 601 HG2 GLU 82 2HG GLU 82 -2.651 4.060 10.238 602 HG3 GLU 82 3HG GLU 82 -1.523 4.576 8.986 603 H VAL 83 H VAL 83 -3.515 8.682 11.241 604 HA VAL 83 HA VAL 83 -2.568 8.501 13.886 605 HB VAL 83 HB VAL 83 -3.900 10.844 12.520 606 HG11 VAL 83 1HG1 VAL 83 -2.683 10.486 15.181 607 HG12 VAL 83 2HG1 VAL 83 -2.195 11.935 14.300 608 HG13 VAL 83 3HG1 VAL 83 -3.901 11.637 14.633 609 HG21 VAL 83 1HG2 VAL 83 -1.133 11.234 12.747 610 HG22 VAL 83 2HG2 VAL 83 -1.342 9.589 12.147 611 HG23 VAL 83 3HG2 VAL 83 -2.060 10.944 11.275 612 H LEU 84 H LEU 84 -5.802 8.908 12.555 613 HA LEU 84 HA LEU 84 -7.129 9.549 14.950 614 HB2 LEU 84 2HB LEU 84 -8.007 8.331 12.357 615 HB3 LEU 84 3HB LEU 84 -9.134 8.512 13.701 616 HG LEU 84 HG LEU 84 -7.642 10.788 12.398 617 HD11 LEU 84 1HD1 LEU 84 -10.517 9.950 12.058 618 HD12 LEU 84 2HD1 LEU 84 -9.241 9.727 10.861 619 HD13 LEU 84 3HD1 LEU 84 -9.736 11.353 11.329 620 HD21 LEU 84 1HD2 LEU 84 -9.644 10.578 14.608 621 HD22 LEU 84 2HD2 LEU 84 -9.584 12.026 13.602 622 HD23 LEU 84 3HD2 LEU 84 -8.163 11.532 14.524 623 H LYS 85 H LYS 85 -6.718 6.421 13.300 624 HA LYS 85 HA LYS 85 -8.038 4.871 15.240 625 HB2 LYS 85 2HB LYS 85 -7.558 4.067 12.966 626 HB3 LYS 85 3HB LYS 85 -5.838 4.057 13.330 627 HG2 LYS 85 2HG LYS 85 -7.306 2.529 15.281 628 HG3 LYS 85 3HG LYS 85 -7.641 1.962 13.643 629 HD2 LYS 85 2HD LYS 85 -4.842 2.455 14.624 630 HD3 LYS 85 3HD LYS 85 -5.661 0.910 14.863 631 HE2 LYS 85 2HE LYS 85 -5.334 2.221 12.172 632 HE3 LYS 85 3HE LYS 85 -4.187 1.055 12.828 633 HZ1 LYS 85 1HZ LYS 85 -6.561 -0.201 13.126 634 HZ2 LYS 85 2HZ LYS 85 -5.483 -0.453 11.847 635 HZ3 LYS 85 3HZ LYS 85 -6.780 0.618 11.661 636 H ALA 86 H ALA 86 -4.672 5.865 14.905 637 HA ALA 86 HA ALA 86 -3.563 4.246 16.906 638 HB1 ALA 86 1HB ALA 86 -1.641 5.419 16.588 639 HB2 ALA 86 2HB ALA 86 -2.498 5.903 15.125 640 HB3 ALA 86 3HB ALA 86 -2.468 6.976 16.524 641 H PHE 87 H PHE 87 -4.731 7.609 17.091 642 HA PHE 87 HA PHE 87 -4.276 7.941 19.843 643 HB2 PHE 87 2HB PHE 87 -4.760 9.749 18.121 644 HB3 PHE 87 3HB PHE 87 -6.459 9.310 18.272 645 HD1 PHE 87 HD1 PHE 87 -3.543 10.264 20.390 646 HD2 PHE 87 HD2 PHE 87 -7.756 10.433 19.803 647 HE1 PHE 87 HE1 PHE 87 -3.751 11.762 22.331 648 HE2 PHE 87 HE2 PHE 87 -7.970 11.932 21.742 649 HZ PHE 87 HZ PHE 87 -5.966 12.599 23.008 650 H GLN 88 H GLN 88 -7.126 6.846 18.054 651 HA GLN 88 HA GLN 88 -8.928 6.712 20.178 652 HB2 GLN 88 2HB GLN 88 -9.355 6.394 17.669 653 HB3 GLN 88 3HB GLN 88 -8.882 4.720 17.922 654 HG2 GLN 88 2HG GLN 88 -10.678 4.465 19.563 655 HG3 GLN 88 3HG GLN 88 -11.158 6.139 19.286 656 HE21 GLN 88 1HE2 GLN 88 -10.605 3.101 17.552 657 HE22 GLN 88 2HE2 GLN 88 -11.895 3.309 16.422 658 H LEU 89 H LEU 89 -6.672 4.259 18.955 659 HA LEU 89 HA LEU 89 -7.423 2.224 20.759 660 HB2 LEU 89 2HB LEU 89 -6.157 1.850 18.676 661 HB3 LEU 89 3HB LEU 89 -4.765 2.650 19.402 662 HG LEU 89 HG LEU 89 -4.924 0.798 21.197 663 HD11 LEU 89 1HD1 LEU 89 -6.691 -0.543 20.953 664 HD12 LEU 89 2HD1 LEU 89 -5.784 -1.282 19.634 665 HD13 LEU 89 3HD1 LEU 89 -6.970 -0.024 19.290 666 HD21 LEU 89 1HD2 LEU 89 -4.110 -0.477 18.684 667 HD22 LEU 89 2HD2 LEU 89 -3.185 -0.163 20.152 668 HD23 LEU 89 3HD2 LEU 89 -3.414 1.119 18.962 669 H PHE 90 H PHE 90 -4.840 4.654 20.865 670 HA PHE 90 HA PHE 90 -3.648 3.816 23.257 671 HB2 PHE 90 2HB PHE 90 -3.451 6.068 21.472 672 HB3 PHE 90 3HB PHE 90 -3.409 6.622 23.143 673 HD1 PHE 90 HD1 PHE 90 -1.942 3.890 21.064 674 HD2 PHE 90 HD2 PHE 90 -1.349 6.785 24.127 675 HE1 PHE 90 HE1 PHE 90 0.426 3.241 21.213 676 HE2 PHE 90 HE2 PHE 90 1.020 6.142 24.281 677 HZ PHE 90 HZ PHE 90 1.912 4.369 22.822 678 H ASP 91 H ASP 91 -6.447 5.824 22.633 679 HA ASP 91 HA ASP 91 -7.292 5.550 25.379 680 HB2 ASP 91 2HB ASP 91 -7.683 8.108 25.497 681 HB3 ASP 91 3HB ASP 91 -6.065 7.490 25.816 682 H LEU 92 H LEU 92 -9.340 4.959 25.194 683 HA LEU 92 HA LEU 92 -10.896 5.228 22.888 684 HB2 LEU 92 2HB LEU 92 -12.819 4.690 24.448 685 HB3 LEU 92 3HB LEU 92 -11.497 3.526 24.377 686 HG LEU 92 HG LEU 92 -10.959 5.342 26.497 687 HD11 LEU 92 1HD1 LEU 92 -12.956 4.709 27.919 688 HD12 LEU 92 2HD1 LEU 92 -13.773 4.290 26.414 689 HD13 LEU 92 3HD1 LEU 92 -13.228 5.945 26.690 690 HD21 LEU 92 1HD2 LEU 92 -11.424 2.443 26.095 691 HD22 LEU 92 2HD2 LEU 92 -11.544 3.062 27.742 692 HD23 LEU 92 3HD2 LEU 92 -10.055 3.284 26.822 693 H ASP 93 H ASP 93 -10.530 7.309 25.676 694 HA ASP 93 HA ASP 93 -12.646 9.083 24.707 695 HB2 ASP 93 2HB ASP 93 -11.353 8.591 27.306 696 HB3 ASP 93 3HB ASP 93 -11.669 10.288 26.955 697 H LYS 94 H LYS 94 -12.039 11.519 25.114 698 HA LYS 94 HA LYS 94 -9.417 11.993 23.852 699 HB2 LYS 94 2HB LYS 94 -10.522 14.046 22.855 700 HB3 LYS 94 3HB LYS 94 -11.050 12.497 22.210 701 HG2 LYS 94 2HG LYS 94 -12.697 13.264 24.435 702 HG3 LYS 94 3HG LYS 94 -12.642 14.551 23.228 703 HD2 LYS 94 2HD LYS 94 -14.358 13.311 22.373 704 HD3 LYS 94 3HD LYS 94 -13.002 12.510 21.575 705 HE2 LYS 94 2HE LYS 94 -13.101 10.668 22.981 706 HE3 LYS 94 3HE LYS 94 -13.960 11.551 24.242 707 HZ1 LYS 94 1HZ LYS 94 -15.304 11.214 21.669 708 HZ2 LYS 94 2HZ LYS 94 -15.953 11.246 23.230 709 HZ3 LYS 94 3HZ LYS 94 -15.178 9.852 22.666 710 H LYS 95 H LYS 95 -8.689 12.128 26.125 711 HA LYS 95 HA LYS 95 -9.590 14.263 27.790 712 HB2 LYS 95 2HB LYS 95 -7.562 13.721 29.142 713 HB3 LYS 95 3HB LYS 95 -8.597 12.334 28.823 714 HG2 LYS 95 2HG LYS 95 -6.792 12.328 26.722 715 HG3 LYS 95 3HG LYS 95 -5.826 12.776 28.130 716 HD2 LYS 95 2HD LYS 95 -7.735 10.463 28.225 717 HD3 LYS 95 3HD LYS 95 -6.104 10.275 27.578 718 HE2 LYS 95 2HE LYS 95 -6.674 11.431 30.298 719 HE3 LYS 95 3HE LYS 95 -6.400 9.712 30.023 720 HZ1 LYS 95 1HZ LYS 95 -4.494 11.701 30.387 721 HZ2 LYS 95 2HZ LYS 95 -4.357 11.197 28.779 722 HZ3 LYS 95 3HZ LYS 95 -4.229 10.068 30.032 723 H GLY 96 H GLY 96 -7.079 13.893 25.379 724 HA2 GLY 96 2HA GLY 96 -5.815 15.480 24.294 725 HA3 GLY 96 3HA GLY 96 -6.803 16.707 25.071 726 H LYS 97 H LYS 97 -5.349 14.493 27.213 727 HA LYS 97 HA LYS 97 -3.265 16.475 27.859 728 HB2 LYS 97 2HB LYS 97 -4.667 14.579 29.752 729 HB3 LYS 97 3HB LYS 97 -3.451 15.771 30.191 730 HG2 LYS 97 2HG LYS 97 -5.318 17.304 28.917 731 HG3 LYS 97 3HG LYS 97 -6.313 16.090 29.724 732 HD2 LYS 97 2HD LYS 97 -4.190 17.757 31.073 733 HD3 LYS 97 3HD LYS 97 -5.920 18.104 31.110 734 HE2 LYS 97 2HE LYS 97 -6.032 15.601 31.961 735 HE3 LYS 97 3HE LYS 97 -4.377 15.949 32.460 736 HZ1 LYS 97 1HZ LYS 97 -5.171 17.008 34.215 737 HZ2 LYS 97 2HZ LYS 97 -6.759 16.684 33.731 738 HZ3 LYS 97 3HZ LYS 97 -5.992 18.103 33.220 739 H ILE 98 H ILE 98 -1.449 15.681 26.962 740 HA ILE 98 HA ILE 98 -0.582 13.019 27.840 741 HB ILE 98 HB ILE 98 -0.227 14.025 25.015 742 HG12 ILE 98 2HG1 ILE 98 -1.700 11.796 24.733 743 HG13 ILE 98 3HG1 ILE 98 -2.299 12.327 26.301 744 HG21 ILE 98 1HG2 ILE 98 1.375 12.498 24.871 745 HG22 ILE 98 2HG2 ILE 98 1.097 12.009 26.541 746 HG23 ILE 98 3HG2 ILE 98 0.188 11.246 25.237 747 HD11 ILE 98 1HD1 ILE 98 -3.328 13.110 23.946 748 HD12 ILE 98 2HD1 ILE 98 -3.414 14.066 25.426 749 HD13 ILE 98 3HD1 ILE 98 -2.165 14.405 24.228 750 H SER 99 H SER 99 1.378 13.064 28.716 751 HA SER 99 HA SER 99 2.878 15.438 28.940 752 HB2 SER 99 2HB SER 99 4.316 12.886 29.357 753 HB3 SER 99 3HB SER 99 4.152 14.278 30.427 754 HG SER 99 HG SER 99 2.596 13.271 31.395 755 H PHE 100 H PHE 100 4.473 16.285 27.749 756 HA PHE 100 HA PHE 100 4.951 15.447 25.127 757 HB2 PHE 100 2HB PHE 100 6.756 17.102 25.101 758 HB3 PHE 100 3HB PHE 100 5.327 17.752 25.899 759 HD1 PHE 100 HD1 PHE 100 8.790 16.729 26.298 760 HD2 PHE 100 HD2 PHE 100 5.299 18.085 28.320 761 HE1 PHE 100 HE1 PHE 100 10.153 17.289 28.268 762 HE2 PHE 100 HE2 PHE 100 6.656 18.648 30.293 763 HZ PHE 100 HZ PHE 100 9.087 18.251 30.269 764 H ALA 101 H ALA 101 6.654 14.753 28.117 765 HA ALA 101 HA ALA 101 8.990 13.638 27.039 766 HB1 ALA 101 1HB ALA 101 8.747 12.246 29.320 767 HB2 ALA 101 2HB ALA 101 9.286 13.925 29.260 768 HB3 ALA 101 3HB ALA 101 7.606 13.552 29.644 769 H ASN 102 H ASN 102 5.962 12.062 28.057 770 HA ASN 102 HA ASN 102 6.699 9.443 27.398 771 HB2 ASN 102 2HB ASN 102 4.162 10.873 27.931 772 HB3 ASN 102 3HB ASN 102 4.021 9.373 27.020 773 HD21 ASN 102 1HD2 ASN 102 3.510 7.757 28.289 774 HD22 ASN 102 2HD2 ASN 102 4.110 7.480 29.886 775 H LEU 103 H LEU 103 5.044 11.926 25.481 776 HA LEU 103 HA LEU 103 4.507 10.402 23.211 777 HB2 LEU 103 2HB LEU 103 3.544 12.584 23.518 778 HB3 LEU 103 3HB LEU 103 5.138 13.335 23.480 779 HG LEU 103 HG LEU 103 5.049 12.104 21.046 780 HD11 LEU 103 1HD1 LEU 103 2.987 11.771 20.299 781 HD12 LEU 103 2HD1 LEU 103 2.480 13.381 20.809 782 HD13 LEU 103 3HD1 LEU 103 2.408 12.034 21.944 783 HD21 LEU 103 1HD2 LEU 103 5.826 14.333 21.349 784 HD22 LEU 103 2HD2 LEU 103 4.231 14.886 21.861 785 HD23 LEU 103 3HD2 LEU 103 4.500 14.396 20.188 786 H LYS 104 H LYS 104 7.354 12.389 23.971 787 HA LYS 104 HA LYS 104 8.753 11.951 21.589 788 HB2 LYS 104 2HB LYS 104 9.241 13.588 23.535 789 HB3 LYS 104 3HB LYS 104 10.130 12.247 24.245 790 HG2 LYS 104 2HG LYS 104 11.122 12.299 21.703 791 HG3 LYS 104 3HG LYS 104 10.839 14.011 22.029 792 HD2 LYS 104 2HD LYS 104 12.315 12.197 23.927 793 HD3 LYS 104 3HD LYS 104 13.120 13.130 22.662 794 HE2 LYS 104 2HE LYS 104 11.292 14.740 24.249 795 HE3 LYS 104 3HE LYS 104 12.553 13.989 25.227 796 HZ1 LYS 104 1HZ LYS 104 13.078 15.564 22.767 797 HZ2 LYS 104 2HZ LYS 104 14.224 14.976 23.863 798 HZ3 LYS 104 3HZ LYS 104 13.156 16.200 24.333 799 H GLU 105 H GLU 105 8.950 10.217 24.691 800 HA GLU 105 HA GLU 105 10.910 8.378 24.035 801 HB2 GLU 105 2HB GLU 105 9.908 8.691 26.295 802 HB3 GLU 105 3HB GLU 105 8.474 7.838 25.740 803 HG2 GLU 105 2HG GLU 105 9.428 5.969 26.436 804 HG3 GLU 105 3HG GLU 105 10.574 6.140 25.108 805 H VAL 106 H VAL 106 7.396 8.102 23.575 806 HA VAL 106 HA VAL 106 7.382 5.531 22.459 807 HB VAL 106 HB VAL 106 5.462 7.789 21.873 808 HG11 VAL 106 1HG1 VAL 106 5.156 6.046 20.277 809 HG12 VAL 106 2HG1 VAL 106 5.252 4.804 21.527 810 HG13 VAL 106 3HG1 VAL 106 3.868 5.897 21.472 811 HG21 VAL 106 1HG2 VAL 106 4.401 5.906 23.703 812 HG22 VAL 106 2HG2 VAL 106 5.990 6.391 24.296 813 HG23 VAL 106 3HG2 VAL 106 4.759 7.612 23.972 814 H ALA 107 H ALA 107 7.583 8.721 20.915 815 HA ALA 107 HA ALA 107 7.500 7.911 18.255 816 HB1 ALA 107 1HB ALA 107 7.404 10.157 18.283 817 HB2 ALA 107 2HB ALA 107 8.431 10.289 19.711 818 HB3 ALA 107 3HB ALA 107 9.157 10.046 18.123 819 H LYS 108 H LYS 108 10.374 8.488 20.286 820 HA LYS 108 HA LYS 108 12.248 7.630 18.364 821 HB2 LYS 108 2HB LYS 108 12.354 7.923 21.357 822 HB3 LYS 108 3HB LYS 108 13.730 7.314 20.447 823 HG2 LYS 108 2HG LYS 108 12.406 9.980 19.990 824 HG3 LYS 108 3HG LYS 108 13.880 9.722 20.927 825 HD2 LYS 108 2HD LYS 108 14.530 8.467 18.621 826 HD3 LYS 108 3HD LYS 108 13.461 9.731 18.010 827 HE2 LYS 108 2HE LYS 108 15.565 10.475 19.979 828 HE3 LYS 108 3HE LYS 108 16.051 10.139 18.318 829 HZ1 LYS 108 1HZ LYS 108 13.772 11.837 18.402 830 HZ2 LYS 108 2HZ LYS 108 15.272 12.095 17.665 831 HZ3 LYS 108 3HZ LYS 108 15.048 12.503 19.291 832 H LEU 109 H LEU 109 10.333 5.918 20.729 833 HA LEU 109 HA LEU 109 11.754 3.505 20.817 834 HB2 LEU 109 2HB LEU 109 9.926 4.140 22.354 835 HB3 LEU 109 3HB LEU 109 8.774 3.905 21.041 836 HG LEU 109 HG LEU 109 9.593 1.491 20.973 837 HD11 LEU 109 1HD1 LEU 109 11.637 1.854 22.283 838 HD12 LEU 109 2HD1 LEU 109 10.596 0.627 23.004 839 HD13 LEU 109 3HD1 LEU 109 10.653 2.250 23.692 840 HD21 LEU 109 1HD2 LEU 109 8.313 2.035 23.601 841 HD22 LEU 109 2HD2 LEU 109 7.882 0.867 22.351 842 HD23 LEU 109 3HD2 LEU 109 7.487 2.574 22.139 843 H LEU 110 H LEU 110 9.585 4.821 18.437 844 HA LEU 110 HA LEU 110 9.037 2.383 17.073 845 HB2 LEU 110 2HB LEU 110 8.889 5.255 16.177 846 HB3 LEU 110 3HB LEU 110 8.327 3.890 15.215 847 HG LEU 110 HG LEU 110 7.222 4.435 17.953 848 HD11 LEU 110 1HD1 LEU 110 5.301 5.458 16.482 849 HD12 LEU 110 2HD1 LEU 110 6.634 5.822 15.386 850 HD13 LEU 110 3HD1 LEU 110 6.650 6.450 17.034 851 HD21 LEU 110 1HD2 LEU 110 6.778 2.250 16.970 852 HD22 LEU 110 2HD2 LEU 110 6.137 3.020 15.518 853 HD23 LEU 110 3HD2 LEU 110 5.301 3.211 17.060 854 H GLY 111 H GLY 111 11.783 4.371 17.254 855 HA2 GLY 111 2HA GLY 111 13.882 3.823 16.356 856 HA3 GLY 111 3HA GLY 111 13.086 2.777 15.190 857 H GLU 112 H GLU 112 11.797 5.939 15.573 858 HA GLU 112 HA GLU 112 12.806 6.639 12.915 859 HB2 GLU 112 2HB GLU 112 10.311 6.682 13.565 860 HB3 GLU 112 3HB GLU 112 10.704 8.154 14.443 861 HG2 GLU 112 2HG GLU 112 9.969 8.964 12.420 862 HG3 GLU 112 3HG GLU 112 11.718 8.939 12.201 863 H ASN 113 H ASN 113 14.144 8.314 12.552 864 HA ASN 113 HA ASN 113 14.913 9.956 14.875 865 HB2 ASN 113 2HB ASN 113 16.665 8.369 14.002 866 HB3 ASN 113 3HB ASN 113 16.658 9.288 12.499 867 HD21 ASN 113 1HD2 ASN 113 18.216 8.896 15.338 868 HD22 ASN 113 2HD2 ASN 113 18.950 10.452 15.493 869 HA PRO 114 HA PRO 114 13.072 12.743 11.631 870 HB2 PRO 114 2HB PRO 114 11.496 14.119 13.361 871 HB3 PRO 114 3HB PRO 114 10.982 12.620 12.577 872 HG2 PRO 114 2HG PRO 114 12.063 13.039 15.337 873 HG3 PRO 114 3HG PRO 114 10.709 12.024 14.808 874 HD2 PRO 114 2HD PRO 114 13.163 11.014 15.346 875 HD3 PRO 114 3HD PRO 114 12.094 10.320 14.109 876 H GLY 115 H GLY 115 13.021 15.194 11.699 877 HA2 GLY 115 2HA GLY 115 15.557 16.128 12.661 878 HA3 GLY 115 3HA GLY 115 14.359 17.074 11.792 879 H ASP 116 H ASP 116 16.033 17.467 14.323 880 HA ASP 116 HA ASP 116 14.441 17.537 16.590 881 HB2 ASP 116 2HB ASP 116 16.918 18.012 16.448 882 HB3 ASP 116 3HB ASP 116 16.504 19.628 15.885 883 H ASP 117 H ASP 117 14.608 19.781 13.897 884 HA ASP 117 HA ASP 117 13.207 21.931 14.998 885 HB2 ASP 117 2HB ASP 117 12.688 22.556 12.669 886 HB3 ASP 117 3HB ASP 117 14.377 22.096 12.863 887 H VAL 118 H VAL 118 12.060 18.946 13.528 888 HA VAL 118 HA VAL 118 9.317 19.685 13.421 889 HB VAL 118 HB VAL 118 10.519 16.914 13.519 890 HG11 VAL 118 1HG1 VAL 118 8.174 16.842 14.043 891 HG12 VAL 118 2HG1 VAL 118 7.793 17.889 12.675 892 HG13 VAL 118 3HG1 VAL 118 8.405 16.258 12.395 893 HG21 VAL 118 1HG2 VAL 118 11.469 17.873 11.631 894 HG22 VAL 118 2HG2 VAL 118 10.017 17.105 10.988 895 HG23 VAL 118 3HG2 VAL 118 10.039 18.844 11.280 896 H LEU 119 H LEU 119 11.368 18.292 15.879 897 HA LEU 119 HA LEU 119 9.272 17.375 17.576 898 HB2 LEU 119 2HB LEU 119 11.908 16.920 17.495 899 HB3 LEU 119 3HB LEU 119 11.874 18.159 18.749 900 HG LEU 119 HG LEU 119 11.869 16.006 19.795 901 HD11 LEU 119 1HD1 LEU 119 10.343 17.878 20.626 902 HD12 LEU 119 2HD1 LEU 119 10.036 16.249 21.226 903 HD13 LEU 119 3HD1 LEU 119 9.018 16.927 19.956 904 HD21 LEU 119 1HD2 LEU 119 9.288 15.269 18.478 905 HD22 LEU 119 2HD2 LEU 119 10.481 14.234 19.264 906 HD23 LEU 119 3HD2 LEU 119 10.823 14.929 17.679 907 H GLN 120 H GLN 120 11.465 20.180 17.821 908 HA GLN 120 HA GLN 120 10.189 21.370 20.013 909 HB2 GLN 120 2HB GLN 120 11.636 22.880 17.842 910 HB3 GLN 120 3HB GLN 120 11.476 23.317 19.538 911 HG2 GLN 120 2HG GLN 120 13.192 21.205 18.297 912 HG3 GLN 120 3HG GLN 120 13.659 22.545 19.343 913 HE21 GLN 120 1HE2 GLN 120 11.899 22.308 21.402 914 HE22 GLN 120 2HE2 GLN 120 12.162 20.819 22.238 915 H GLU 121 H GLU 121 9.749 21.859 16.529 916 HA GLU 121 HA GLU 121 7.870 23.943 16.711 917 HB2 GLU 121 2HB GLU 121 8.458 21.897 14.582 918 HB3 GLU 121 3HB GLU 121 7.185 23.093 14.385 919 HG2 GLU 121 2HG GLU 121 9.651 24.328 15.227 920 HG3 GLU 121 3HG GLU 121 9.873 23.381 13.757 921 H MET 122 H MET 122 7.450 20.427 16.468 922 HA MET 122 HA MET 122 4.672 20.353 16.313 923 HB2 MET 122 2HB MET 122 5.953 18.362 15.917 924 HB3 MET 122 3HB MET 122 6.620 18.403 17.543 925 HG2 MET 122 2HG MET 122 4.543 17.811 18.509 926 HG3 MET 122 3HG MET 122 3.688 18.071 16.990 927 HE1 MET 122 1HE MET 122 2.532 16.377 16.622 928 HE2 MET 122 2HE MET 122 3.145 15.045 15.642 929 HE3 MET 122 3HE MET 122 2.821 14.800 17.358 930 H ILE 123 H ILE 123 6.713 20.057 19.222 931 HA ILE 123 HA ILE 123 4.637 19.969 21.088 932 HB ILE 123 HB ILE 123 7.420 21.084 21.456 933 HG12 ILE 123 2HG1 ILE 123 7.351 18.739 20.664 934 HG13 ILE 123 3HG1 ILE 123 7.987 18.871 22.300 935 HG21 ILE 123 1HG2 ILE 123 6.610 21.766 23.427 936 HG22 ILE 123 2HG2 ILE 123 5.146 20.798 23.265 937 HG23 ILE 123 3HG2 ILE 123 6.629 20.058 23.866 938 HD11 ILE 123 1HD1 ILE 123 5.777 18.218 23.171 939 HD12 ILE 123 2HD1 ILE 123 5.219 17.997 21.512 940 HD13 ILE 123 3HD1 ILE 123 6.513 16.983 22.150 941 H ALA 124 H ALA 124 6.311 22.710 19.634 942 HA ALA 124 HA ALA 124 5.286 24.741 21.269 943 HB1 ALA 124 1HB ALA 124 7.117 25.227 19.828 944 HB2 ALA 124 2HB ALA 124 6.186 24.787 18.396 945 HB3 ALA 124 3HB ALA 124 5.764 26.233 19.313 946 H GLU 125 H GLU 125 4.040 23.362 18.243 947 HA GLU 125 HA GLU 125 1.798 25.077 18.048 948 HB2 GLU 125 2HB GLU 125 2.719 22.591 16.737 949 HB3 GLU 125 3HB GLU 125 0.985 22.879 16.697 950 HG2 GLU 125 2HG GLU 125 2.992 24.934 15.826 951 HG3 GLU 125 3HG GLU 125 2.315 23.729 14.732 952 H ALA 126 H ALA 126 2.039 21.682 19.111 953 HA ALA 126 HA ALA 126 -0.614 21.371 19.910 954 HB1 ALA 126 1HB ALA 126 1.459 19.969 21.490 955 HB2 ALA 126 2HB ALA 126 0.016 19.339 20.694 956 HB3 ALA 126 3HB ALA 126 1.459 19.701 19.746 957 H ASP 127 H ASP 127 2.078 22.897 21.512 958 HA ASP 127 HA ASP 127 1.017 22.931 24.134 959 HB2 ASP 127 2HB ASP 127 3.318 23.369 23.989 960 HB3 ASP 127 3HB ASP 127 3.104 24.560 22.710 961 H GLU 128 H GLU 128 0.442 24.871 21.314 962 HA GLU 128 HA GLU 128 -0.604 27.179 22.511 963 HB2 GLU 128 2HB GLU 128 -0.033 26.740 20.041 964 HB3 GLU 128 3HB GLU 128 -1.640 26.034 19.927 965 HG2 GLU 128 2HG GLU 128 -2.360 28.076 19.455 966 HG3 GLU 128 3HG GLU 128 -2.099 28.453 21.157 967 H ASP 129 H ASP 129 -1.942 24.012 22.067 968 HA ASP 129 HA ASP 129 -4.679 24.627 22.287 969 HB2 ASP 129 2HB ASP 129 -3.817 22.434 21.536 970 HB3 ASP 129 3HB ASP 129 -3.249 22.112 23.172 971 H GLY 130 H GLY 130 -2.180 24.061 24.706 972 HA2 GLY 130 2HA GLY 130 -3.987 25.177 26.730 973 HA3 GLY 130 3HA GLY 130 -3.261 23.607 27.044 974 H ASP 131 H ASP 131 -1.882 24.018 28.671 975 HA ASP 131 HA ASP 131 0.234 25.996 28.153 976 HB2 ASP 131 2HB ASP 131 -1.536 26.692 29.895 977 HB3 ASP 131 3HB ASP 131 -0.807 25.464 30.926 978 H GLY 132 H GLY 132 1.717 24.456 27.506 979 HA2 GLY 132 2HA GLY 132 3.540 23.102 27.969 980 HA3 GLY 132 3HA GLY 132 3.012 23.020 29.644 981 H GLU 133 H GLU 133 0.703 22.251 27.206 982 HA GLU 133 HA GLU 133 1.116 19.378 27.707 983 HB2 GLU 133 2HB GLU 133 -1.496 20.894 27.613 984 HB3 GLU 133 3HB GLU 133 -1.378 19.140 27.599 985 HG2 GLU 133 2HG GLU 133 -0.986 19.021 29.796 986 HG3 GLU 133 3HG GLU 133 0.082 20.423 29.784 987 H VAL 134 H VAL 134 0.594 17.962 26.019 988 HA VAL 134 HA VAL 134 0.489 19.251 23.378 989 HB VAL 134 HB VAL 134 1.349 16.435 24.057 990 HG11 VAL 134 1HG1 VAL 134 0.570 17.581 21.616 991 HG12 VAL 134 2HG1 VAL 134 2.330 17.457 21.564 992 HG13 VAL 134 3HG1 VAL 134 1.352 16.022 21.875 993 HG21 VAL 134 1HG2 VAL 134 3.617 17.491 23.289 994 HG22 VAL 134 2HG2 VAL 134 2.855 18.998 23.796 995 HG23 VAL 134 3HG2 VAL 134 3.064 17.684 24.953 996 H SER 135 H SER 135 -1.441 19.270 22.450 997 HA SER 135 HA SER 135 -3.280 17.027 22.970 998 HB2 SER 135 2HB SER 135 -4.335 18.975 23.783 999 HB3 SER 135 3HB SER 135 -3.791 19.945 22.415 1000 HG SER 135 HG SER 135 -5.485 17.737 22.003 1001 H PHE 136 H PHE 136 -3.040 15.628 21.335 1002 HA PHE 136 HA PHE 136 -2.217 16.204 18.739 1003 HB2 PHE 136 2HB PHE 136 -3.134 13.913 20.183 1004 HB3 PHE 136 3HB PHE 136 -3.956 13.959 18.627 1005 HD1 PHE 136 HD1 PHE 136 -0.873 13.297 20.352 1006 HD2 PHE 136 HD2 PHE 136 -2.594 14.041 16.531 1007 HE1 PHE 136 HE1 PHE 136 1.132 12.366 19.272 1008 HE2 PHE 136 HE2 PHE 136 -0.592 13.111 15.444 1009 HZ PHE 136 HZ PHE 136 1.274 12.271 16.815 1010 H GLU 137 H GLU 137 -5.357 16.433 20.214 1011 HA GLU 137 HA GLU 137 -7.024 16.370 17.997 1012 HB2 GLU 137 2HB GLU 137 -7.600 16.579 20.509 1013 HB3 GLU 137 3HB GLU 137 -7.451 18.312 20.251 1014 HG2 GLU 137 2HG GLU 137 -9.138 18.041 18.385 1015 HG3 GLU 137 3HG GLU 137 -9.415 16.416 19.009 1016 H GLU 138 H GLU 138 -5.001 18.969 19.224 1017 HA GLU 138 HA GLU 138 -6.044 21.043 17.620 1018 HB2 GLU 138 2HB GLU 138 -4.178 20.879 19.624 1019 HB3 GLU 138 3HB GLU 138 -3.176 21.216 18.219 1020 HG2 GLU 138 2HG GLU 138 -5.554 22.897 18.391 1021 HG3 GLU 138 3HG GLU 138 -4.448 23.081 19.752 1022 H PHE 139 H PHE 139 -3.196 18.954 17.176 1023 HA PHE 139 HA PHE 139 -2.367 19.979 14.719 1024 HB2 PHE 139 2HB PHE 139 -1.590 17.888 16.416 1025 HB3 PHE 139 3HB PHE 139 -1.933 17.122 14.869 1026 HD1 PHE 139 HD1 PHE 139 0.050 19.790 16.492 1027 HD2 PHE 139 HD2 PHE 139 -0.438 17.301 13.073 1028 HE1 PHE 139 HE1 PHE 139 2.245 20.519 15.652 1029 HE2 PHE 139 HE2 PHE 139 1.756 18.025 12.229 1030 HZ PHE 139 HZ PHE 139 3.101 19.635 13.519 1031 H LYS 140 H LYS 140 -4.466 17.183 15.383 1032 HA LYS 140 HA LYS 140 -4.989 16.451 12.751 1033 HB2 LYS 140 2HB LYS 140 -5.602 15.101 14.731 1034 HB3 LYS 140 3HB LYS 140 -6.866 16.262 15.116 1035 HG2 LYS 140 2HG LYS 140 -8.166 14.819 13.994 1036 HG3 LYS 140 3HG LYS 140 -7.534 15.663 12.577 1037 HD2 LYS 140 2HD LYS 140 -5.849 13.467 13.569 1038 HD3 LYS 140 3HD LYS 140 -7.426 12.973 12.948 1039 HE2 LYS 140 2HE LYS 140 -5.410 14.670 11.478 1040 HE3 LYS 140 3HE LYS 140 -5.693 12.952 11.206 1041 HZ1 LYS 140 1HZ LYS 140 -8.111 14.450 11.060 1042 HZ2 LYS 140 2HZ LYS 140 -7.426 13.407 9.919 1043 HZ3 LYS 140 3HZ LYS 140 -6.967 15.034 9.960 1044 H SER 141 H SER 141 -6.760 18.707 14.847 1045 HA SER 141 HA SER 141 -8.824 19.347 13.089 1046 HB2 SER 141 2HB SER 141 -7.719 20.435 15.547 1047 HB3 SER 141 3HB SER 141 -8.295 21.710 14.474 1048 HG SER 141 HG SER 141 -10.307 20.938 14.602 1049 H VAL 142 H VAL 142 -5.622 20.820 13.464 1050 HA VAL 142 HA VAL 142 -5.956 22.896 11.603 1051 HB VAL 142 HB VAL 142 -3.403 21.458 12.340 1052 HG11 VAL 142 1HG1 VAL 142 -3.869 24.159 11.081 1053 HG12 VAL 142 2HG1 VAL 142 -2.309 23.563 11.653 1054 HG13 VAL 142 3HG1 VAL 142 -3.129 22.754 10.316 1055 HG21 VAL 142 1HG2 VAL 142 -5.103 22.963 13.958 1056 HG22 VAL 142 2HG2 VAL 142 -3.433 22.511 14.301 1057 HG23 VAL 142 3HG2 VAL 142 -3.788 24.057 13.531 1058 H MET 143 H MET 143 -4.637 19.619 11.215 1059 HA MET 143 HA MET 143 -3.910 19.811 8.527 1060 HB2 MET 143 2HB MET 143 -3.279 17.949 10.043 1061 HB3 MET 143 3HB MET 143 -4.935 17.361 9.972 1062 HG2 MET 143 2HG MET 143 -4.344 16.134 8.233 1063 HG3 MET 143 3HG MET 143 -4.159 17.627 7.316 1064 HE1 MET 143 1HE MET 143 -2.411 14.483 8.619 1065 HE2 MET 143 2HE MET 143 -2.710 14.765 6.904 1066 HE3 MET 143 3HE MET 143 -1.054 14.665 7.507 1067 H MET 144 H MET 144 -6.963 18.696 9.974 1068 HA MET 144 HA MET 144 -8.280 18.079 7.582 1069 HB2 MET 144 2HB MET 144 -8.956 17.584 10.031 1070 HB3 MET 144 3HB MET 144 -9.713 19.170 9.988 1071 HG2 MET 144 2HG MET 144 -10.552 17.828 7.669 1072 HG3 MET 144 3HG MET 144 -10.679 16.674 8.994 1073 HE1 MET 144 1HE MET 144 -12.284 20.757 8.494 1074 HE2 MET 144 2HE MET 144 -11.561 19.683 7.297 1075 HE3 MET 144 3HE MET 144 -13.307 19.676 7.547 1076 H GLN 145 H GLN 145 -8.101 21.101 9.417 1077 HA GLN 145 HA GLN 145 -9.936 22.580 7.907 1078 HB2 GLN 145 2HB GLN 145 -8.607 23.109 10.142 1079 HB3 GLN 145 3HB GLN 145 -7.524 23.930 9.026 1080 HG2 GLN 145 2HG GLN 145 -9.659 25.076 8.150 1081 HG3 GLN 145 3HG GLN 145 -10.381 24.530 9.662 1082 HE21 GLN 145 1HE2 GLN 145 -10.668 26.699 10.285 1083 HE22 GLN 145 2HE2 GLN 145 -9.347 27.647 10.868 1084 H MET 146 H MET 146 -6.443 22.131 7.514 1085 HA MET 146 HA MET 146 -6.138 23.905 5.340 1086 HB2 MET 146 2HB MET 146 -4.516 21.551 6.293 1087 HB3 MET 146 3HB MET 146 -4.041 22.517 4.903 1088 HG2 MET 146 2HG MET 146 -4.508 24.416 6.823 1089 HG3 MET 146 3HG MET 146 -3.813 23.085 7.747 1090 HE1 MET 146 1HE MET 146 -1.214 23.863 8.333 1091 HE2 MET 146 2HE MET 146 -0.718 25.307 7.451 1092 HE3 MET 146 3HE MET 146 -2.305 25.244 8.218 1093 H ARG 147 H ARG 147 -6.754 20.420 5.504 1094 HA ARG 147 HA ARG 147 -6.580 19.876 2.761 1095 HB2 ARG 147 2HB ARG 147 -8.180 18.538 4.945 1096 HB3 ARG 147 3HB ARG 147 -8.045 17.901 3.312 1097 HG2 ARG 147 2HG ARG 147 -5.680 18.426 5.094 1098 HG3 ARG 147 3HG ARG 147 -6.505 16.869 4.983 1099 HD2 ARG 147 2HD ARG 147 -6.048 16.874 2.537 1100 HD3 ARG 147 3HD ARG 147 -5.101 18.345 2.760 1101 HE ARG 147 HE ARG 147 -4.296 15.665 3.368 1102 HH11 ARG 147 1HH1 ARG 147 -3.859 19.016 4.206 1103 HH12 ARG 147 2HH1 ARG 147 -2.264 18.785 4.841 1104 HH21 ARG 147 1HH2 ARG 147 -2.196 15.348 4.201 1105 HH22 ARG 147 2HH2 ARG 147 -1.319 16.698 4.837 1106 H GLY 148 H GLY 148 -9.332 20.867 4.764 1107 HA2 GLY 148 2HA GLY 148 -11.290 20.677 2.732 1108 HA3 GLY 148 3HA GLY 148 -11.425 21.628 4.203 1109 H LYS 149 H LYS 149 -9.792 23.615 4.095 1110 HA LYS 149 HA LYS 149 -10.827 25.358 2.154 1111 HB2 LYS 149 2HB LYS 149 -9.335 27.002 3.033 1112 HB3 LYS 149 3HB LYS 149 -9.867 26.009 4.383 1113 HG2 LYS 149 2HG LYS 149 -7.759 25.615 4.914 1114 HG3 LYS 149 3HG LYS 149 -7.510 24.837 3.349 1115 HD2 LYS 149 2HD LYS 149 -6.569 26.700 2.419 1116 HD3 LYS 149 3HD LYS 149 -7.482 27.807 3.447 1117 HE2 LYS 149 2HE LYS 149 -6.044 26.827 5.362 1118 HE3 LYS 149 3HE LYS 149 -4.985 26.273 4.066 1119 HZ1 LYS 149 1HZ LYS 149 -4.993 28.758 5.231 1120 HZ2 LYS 149 2HZ LYS 149 -5.707 29.002 3.717 1121 HZ3 LYS 149 3HZ LYS 149 -4.169 28.306 3.824 Start of MODEL 15 1 H1 MET 1 H MET 1 0.172 0.423 -0.227 2 HA MET 1 HA MET 1 1.217 -0.820 -2.232 3 HB2 MET 1 2HB MET 1 -1.385 0.245 -3.228 4 HB3 MET 1 3HB MET 1 -0.015 0.237 -4.331 5 HG2 MET 1 2HG MET 1 -0.035 -2.293 -3.151 6 HG3 MET 1 3HG MET 1 -1.719 -1.922 -3.512 7 HE1 MET 1 1HE MET 1 -2.055 -1.379 -7.056 8 HE2 MET 1 2HE MET 1 -2.113 -0.435 -5.567 9 HE3 MET 1 3HE MET 1 -0.848 -0.128 -6.758 10 H ALA 2 H ALA 2 -0.431 2.332 -2.542 11 HA ALA 2 HA ALA 2 2.214 3.620 -2.550 12 HB1 ALA 2 1HB ALA 2 0.735 3.326 -4.823 13 HB2 ALA 2 2HB ALA 2 0.231 4.922 -4.263 14 HB3 ALA 2 3HB ALA 2 1.938 4.586 -4.552 15 H ALA 3 H ALA 3 2.345 5.574 -1.520 16 HA ALA 3 HA ALA 3 -0.067 6.412 -0.058 17 HB1 ALA 3 1HB ALA 3 2.583 7.426 0.773 18 HB2 ALA 3 2HB ALA 3 1.210 6.898 1.747 19 HB3 ALA 3 3HB ALA 3 2.280 5.705 1.012 20 H LEU 4 H LEU 4 -0.509 8.655 0.193 21 HA LEU 4 HA LEU 4 -0.240 10.168 -2.157 22 HB2 LEU 4 2HB LEU 4 -1.195 12.013 -0.854 23 HB3 LEU 4 3HB LEU 4 -2.085 10.507 -0.644 24 HG LEU 4 HG LEU 4 -0.394 10.414 1.480 25 HD11 LEU 4 1HD1 LEU 4 -0.955 12.902 2.350 26 HD12 LEU 4 2HD1 LEU 4 -0.646 13.225 0.645 27 HD13 LEU 4 3HD1 LEU 4 0.586 12.435 1.629 28 HD21 LEU 4 1HD2 LEU 4 -2.291 10.670 2.767 29 HD22 LEU 4 2HD2 LEU 4 -2.976 10.234 1.202 30 HD23 LEU 4 3HD2 LEU 4 -2.963 11.920 1.720 31 H THR 5 H THR 5 1.534 10.236 0.892 32 HA THR 5 HA THR 5 2.996 12.557 0.602 33 HB THR 5 HB THR 5 4.832 11.310 1.875 34 HG1 THR 5 HG1 THR 5 4.135 9.267 2.712 35 HG21 THR 5 1HG2 THR 5 2.339 10.882 3.393 36 HG22 THR 5 2HG2 THR 5 2.556 12.498 2.720 37 HG23 THR 5 3HG2 THR 5 3.771 11.824 3.805 38 H ASP 6 H ASP 6 3.708 9.341 -0.711 39 HA ASP 6 HA ASP 6 6.205 9.898 -1.823 40 HB2 ASP 6 2HB ASP 6 5.151 7.630 -1.607 41 HB3 ASP 6 3HB ASP 6 4.129 8.032 -2.984 42 H GLU 7 H GLU 7 2.968 10.192 -3.255 43 HA GLU 7 HA GLU 7 3.816 11.052 -5.797 44 HB2 GLU 7 2HB GLU 7 1.542 10.217 -5.311 45 HB3 GLU 7 3HB GLU 7 1.220 11.670 -4.375 46 HG2 GLU 7 2HG GLU 7 1.096 13.011 -6.236 47 HG3 GLU 7 3HG GLU 7 2.078 11.925 -7.216 48 H GLN 8 H GLN 8 3.203 12.773 -2.802 49 HA GLN 8 HA GLN 8 3.185 15.389 -3.851 50 HB2 GLN 8 2HB GLN 8 2.390 14.798 -1.583 51 HB3 GLN 8 3HB GLN 8 4.051 14.478 -1.101 52 HG2 GLN 8 2HG GLN 8 3.888 17.087 -2.249 53 HG3 GLN 8 3HG GLN 8 2.649 16.912 -1.008 54 HE21 GLN 8 1HE2 GLN 8 6.093 16.582 -1.645 55 HE22 GLN 8 2HE2 GLN 8 6.608 16.853 -0.019 56 H ILE 9 H ILE 9 5.809 13.605 -2.221 57 HA ILE 9 HA ILE 9 7.799 15.533 -2.667 58 HB ILE 9 HB ILE 9 9.418 13.683 -2.267 59 HG12 ILE 9 2HG1 ILE 9 6.908 11.999 -2.105 60 HG13 ILE 9 3HG1 ILE 9 8.153 11.875 -3.343 61 HG21 ILE 9 1HG2 ILE 9 8.902 13.439 0.023 62 HG22 ILE 9 2HG2 ILE 9 8.229 14.995 -0.460 63 HG23 ILE 9 3HG2 ILE 9 7.171 13.597 -0.272 64 HD11 ILE 9 1HD1 ILE 9 8.083 10.803 -0.629 65 HD12 ILE 9 2HD1 ILE 9 8.969 10.252 -2.051 66 HD13 ILE 9 3HD1 ILE 9 9.609 11.569 -1.069 67 H ARG 10 H ARG 10 6.610 12.897 -4.648 68 HA ARG 10 HA ARG 10 8.708 12.853 -6.535 69 HB2 ARG 10 2HB ARG 10 7.179 11.003 -6.419 70 HB3 ARG 10 3HB ARG 10 5.806 12.051 -6.751 71 HG2 ARG 10 2HG ARG 10 6.400 10.741 -8.705 72 HG3 ARG 10 3HG ARG 10 6.654 12.463 -9.000 73 HD2 ARG 10 2HD ARG 10 9.014 12.235 -8.719 74 HD3 ARG 10 3HD ARG 10 8.841 10.578 -8.144 75 HE ARG 10 HE ARG 10 8.930 11.453 -10.861 76 HH11 ARG 10 1HH1 ARG 10 7.642 9.023 -8.727 77 HH12 ARG 10 2HH1 ARG 10 7.499 7.822 -9.969 78 HH21 ARG 10 1HH2 ARG 10 8.747 9.881 -12.504 79 HH22 ARG 10 2HH2 ARG 10 8.128 8.312 -12.116 80 H GLU 11 H GLU 11 5.552 14.496 -6.567 81 HA GLU 11 HA GLU 11 5.914 15.765 -9.061 82 HB2 GLU 11 2HB GLU 11 4.029 15.984 -6.798 83 HB3 GLU 11 3HB GLU 11 4.197 17.431 -7.783 84 HG2 GLU 11 2HG GLU 11 3.658 14.742 -8.992 85 HG3 GLU 11 3HG GLU 11 2.364 15.785 -8.408 86 H ALA 12 H ALA 12 6.675 16.729 -5.758 87 HA ALA 12 HA ALA 12 7.332 19.411 -6.258 88 HB1 ALA 12 1HB ALA 12 7.861 17.463 -4.100 89 HB2 ALA 12 2HB ALA 12 8.934 18.862 -4.183 90 HB3 ALA 12 3HB ALA 12 7.193 19.094 -4.022 91 H PHE 13 H PHE 13 9.500 16.593 -5.947 92 HA PHE 13 HA PHE 13 11.857 17.925 -6.644 93 HB2 PHE 13 2HB PHE 13 11.909 15.736 -5.596 94 HB3 PHE 13 3HB PHE 13 11.107 15.016 -6.988 95 HD1 PHE 13 HD1 PHE 13 12.536 13.624 -8.112 96 HD2 PHE 13 HD2 PHE 13 14.019 17.318 -6.606 97 HE1 PHE 13 HE1 PHE 13 14.726 13.156 -9.132 98 HE2 PHE 13 HE2 PHE 13 16.211 16.857 -7.624 99 HZ PHE 13 HZ PHE 13 16.567 14.775 -8.890 100 H ASN 14 H ASN 14 9.351 16.476 -8.617 101 HA ASN 14 HA ASN 14 10.753 16.459 -11.068 102 HB2 ASN 14 2HB ASN 14 8.053 15.951 -10.155 103 HB3 ASN 14 3HB ASN 14 8.044 16.844 -11.673 104 HD21 ASN 14 1HD2 ASN 14 7.614 13.927 -10.672 105 HD22 ASN 14 2HD2 ASN 14 8.430 12.996 -11.877 106 H LEU 15 H LEU 15 8.530 18.827 -9.629 107 HA LEU 15 HA LEU 15 8.586 20.663 -11.759 108 HB2 LEU 15 2HB LEU 15 7.489 20.514 -9.128 109 HB3 LEU 15 3HB LEU 15 8.263 22.084 -9.336 110 HG LEU 15 HG LEU 15 6.854 22.587 -11.221 111 HD11 LEU 15 1HD1 LEU 15 6.495 19.739 -11.275 112 HD12 LEU 15 2HD1 LEU 15 6.099 20.942 -12.501 113 HD13 LEU 15 3HD1 LEU 15 4.932 20.554 -11.238 114 HD21 LEU 15 1HD2 LEU 15 5.359 21.508 -8.839 115 HD22 LEU 15 2HD2 LEU 15 4.613 22.479 -10.109 116 HD23 LEU 15 3HD2 LEU 15 5.900 23.164 -9.115 117 H PHE 16 H PHE 16 10.487 20.503 -8.762 118 HA PHE 16 HA PHE 16 11.985 22.832 -9.151 119 HB2 PHE 16 2HB PHE 16 12.642 20.277 -7.680 120 HB3 PHE 16 3HB PHE 16 13.662 21.711 -7.628 121 HD1 PHE 16 HD1 PHE 16 11.625 20.018 -5.639 122 HD2 PHE 16 HD2 PHE 16 11.838 23.903 -7.364 123 HE1 PHE 16 HE1 PHE 16 10.268 20.909 -3.790 124 HE2 PHE 16 HE2 PHE 16 10.482 24.801 -5.518 125 HZ PHE 16 HZ PHE 16 9.696 23.303 -3.727 126 H ASP 17 H ASP 17 12.579 19.504 -10.191 127 HA ASP 17 HA ASP 17 15.131 20.047 -11.337 128 HB2 ASP 17 2HB ASP 17 14.294 17.781 -10.594 129 HB3 ASP 17 3HB ASP 17 13.282 17.763 -12.035 130 H ALA 18 H ALA 18 11.859 20.337 -12.436 131 HA ALA 18 HA ALA 18 12.125 20.198 -15.185 132 HB1 ALA 18 1HB ALA 18 10.396 22.379 -14.274 133 HB2 ALA 18 2HB ALA 18 10.014 20.949 -15.233 134 HB3 ALA 18 3HB ALA 18 10.103 20.834 -13.475 135 H ASP 19 H ASP 19 13.173 22.685 -12.988 136 HA ASP 19 HA ASP 19 13.426 24.876 -14.651 137 HB2 ASP 19 2HB ASP 19 13.924 24.703 -12.150 138 HB3 ASP 19 3HB ASP 19 15.520 24.123 -12.617 139 H GLY 20 H GLY 20 15.347 21.966 -14.522 140 HA2 GLY 20 2HA GLY 20 16.750 21.143 -16.188 141 HA3 GLY 20 3HA GLY 20 16.613 22.682 -17.026 142 H SER 21 H SER 21 17.467 22.658 -13.672 143 HA SER 21 HA SER 21 20.220 23.398 -14.416 144 HB2 SER 21 2HB SER 21 18.438 24.966 -13.106 145 HB3 SER 21 3HB SER 21 19.218 24.168 -11.741 146 HG SER 21 HG SER 21 20.745 25.315 -13.813 147 H GLY 22 H GLY 22 21.940 22.733 -13.030 148 HA2 GLY 22 2HA GLY 22 21.732 20.046 -12.169 149 HA3 GLY 22 3HA GLY 22 23.101 21.112 -11.891 150 H ALA 23 H ALA 23 21.267 23.063 -10.521 151 HA ALA 23 HA ALA 23 20.482 21.614 -8.123 152 HB1 ALA 23 1HB ALA 23 22.421 22.008 -7.091 153 HB2 ALA 23 2HB ALA 23 22.941 23.162 -8.320 154 HB3 ALA 23 3HB ALA 23 21.895 23.689 -7.002 155 H ILE 24 H ILE 24 19.359 23.024 -6.558 156 HA ILE 24 HA ILE 24 18.099 25.327 -7.900 157 HB ILE 24 HB ILE 24 16.795 23.479 -5.899 158 HG12 ILE 24 2HG1 ILE 24 15.357 23.127 -8.135 159 HG13 ILE 24 3HG1 ILE 24 16.917 23.482 -8.871 160 HG21 ILE 24 1HG2 ILE 24 16.091 26.075 -7.007 161 HG22 ILE 24 2HG2 ILE 24 14.832 24.864 -7.244 162 HG23 ILE 24 3HG2 ILE 24 15.421 25.216 -5.620 163 HD11 ILE 24 1HD1 ILE 24 17.819 21.528 -8.211 164 HD12 ILE 24 2HD1 ILE 24 16.920 21.496 -6.694 165 HD13 ILE 24 3HD1 ILE 24 16.130 21.023 -8.197 166 H ASP 25 H ASP 25 18.035 27.216 -6.830 167 HA ASP 25 HA ASP 25 19.327 27.321 -4.210 168 HB2 ASP 25 2HB ASP 25 18.505 29.726 -5.816 169 HB3 ASP 25 3HB ASP 25 19.811 29.574 -4.643 170 H ALA 26 H ALA 26 18.420 29.233 -2.807 171 HA ALA 26 HA ALA 26 15.857 28.445 -1.924 172 HB1 ALA 26 1HB ALA 26 17.902 29.783 -0.786 173 HB2 ALA 26 2HB ALA 26 16.795 31.117 -1.116 174 HB3 ALA 26 3HB ALA 26 16.263 29.752 -0.134 175 H GLU 27 H GLU 27 16.977 31.251 -3.780 176 HA GLU 27 HA GLU 27 14.576 32.662 -3.887 177 HB2 GLU 27 2HB GLU 27 15.494 33.711 -5.934 178 HB3 GLU 27 3HB GLU 27 16.654 33.664 -4.614 179 HG2 GLU 27 2HG GLU 27 17.515 31.513 -5.711 180 HG3 GLU 27 3HG GLU 27 16.602 32.037 -7.125 181 H GLU 28 H GLU 28 15.787 30.048 -5.932 182 HA GLU 28 HA GLU 28 13.691 30.141 -7.834 183 HB2 GLU 28 2HB GLU 28 16.054 28.649 -7.445 184 HB3 GLU 28 3HB GLU 28 14.744 27.481 -7.535 185 HG2 GLU 28 2HG GLU 28 14.843 27.636 -9.736 186 HG3 GLU 28 3HG GLU 28 14.255 29.292 -9.599 187 H MET 29 H MET 29 14.186 28.237 -4.887 188 HA MET 29 HA MET 29 11.938 26.590 -5.099 189 HB2 MET 29 2HB MET 29 13.916 26.518 -3.426 190 HB3 MET 29 3HB MET 29 12.937 27.610 -2.456 191 HG2 MET 29 2HG MET 29 11.141 25.961 -2.403 192 HG3 MET 29 3HG MET 29 12.117 24.867 -3.381 193 HE1 MET 29 1HE MET 29 11.231 24.406 0.444 194 HE2 MET 29 2HE MET 29 10.757 23.978 -1.200 195 HE3 MET 29 3HE MET 29 11.925 22.981 -0.331 196 H ALA 30 H ALA 30 12.316 29.731 -3.477 197 HA ALA 30 HA ALA 30 9.667 29.918 -2.536 198 HB1 ALA 30 1HB ALA 30 10.471 32.525 -2.881 199 HB2 ALA 30 2HB ALA 30 10.761 31.533 -1.451 200 HB3 ALA 30 3HB ALA 30 11.996 31.657 -2.704 201 H LEU 31 H LEU 31 11.208 31.092 -5.505 202 HA LEU 31 HA LEU 31 9.068 32.539 -6.546 203 HB2 LEU 31 2HB LEU 31 11.591 31.561 -7.459 204 HB3 LEU 31 3HB LEU 31 10.376 31.256 -8.699 205 HG LEU 31 HG LEU 31 11.501 33.359 -9.116 206 HD11 LEU 31 1HD1 LEU 31 8.758 32.980 -8.994 207 HD12 LEU 31 2HD1 LEU 31 9.610 34.257 -9.862 208 HD13 LEU 31 3HD1 LEU 31 9.017 34.547 -8.227 209 HD21 LEU 31 1HD2 LEU 31 12.149 33.825 -6.781 210 HD22 LEU 31 2HD2 LEU 31 10.474 34.243 -6.421 211 HD23 LEU 31 3HD2 LEU 31 11.397 35.212 -7.570 212 H ALA 32 H ALA 32 9.883 29.107 -6.944 213 HA ALA 32 HA ALA 32 7.746 28.475 -8.675 214 HB1 ALA 32 1HB ALA 32 9.928 27.142 -7.863 215 HB2 ALA 32 2HB ALA 32 8.711 26.363 -6.851 216 HB3 ALA 32 3HB ALA 32 8.534 26.358 -8.606 217 H MET 33 H MET 33 8.099 28.120 -5.150 218 HA MET 33 HA MET 33 5.673 26.939 -4.570 219 HB2 MET 33 2HB MET 33 7.463 28.797 -3.052 220 HB3 MET 33 3HB MET 33 5.900 28.359 -2.374 221 HG2 MET 33 2HG MET 33 6.565 25.956 -2.659 222 HG3 MET 33 3HG MET 33 8.180 26.531 -3.066 223 HE1 MET 33 1HE MET 33 10.023 26.530 -0.425 224 HE2 MET 33 2HE MET 33 9.692 27.492 -1.866 225 HE3 MET 33 3HE MET 33 9.563 28.225 -0.266 226 H LYS 34 H LYS 34 6.408 30.387 -4.945 227 HA LYS 34 HA LYS 34 3.804 31.309 -4.322 228 HB2 LYS 34 2HB LYS 34 5.946 32.668 -4.335 229 HB3 LYS 34 3HB LYS 34 5.811 32.709 -6.088 230 HG2 LYS 34 2HG LYS 34 3.632 33.819 -5.880 231 HG3 LYS 34 3HG LYS 34 3.811 33.811 -4.124 232 HD2 LYS 34 2HD LYS 34 5.921 35.036 -5.860 233 HD3 LYS 34 3HD LYS 34 4.460 35.940 -5.457 234 HE2 LYS 34 2HE LYS 34 5.971 34.606 -3.264 235 HE3 LYS 34 3HE LYS 34 6.625 36.088 -3.960 236 HZ1 LYS 34 1HZ LYS 34 4.942 36.124 -1.956 237 HZ2 LYS 34 2HZ LYS 34 3.802 36.075 -3.204 238 HZ3 LYS 34 3HZ LYS 34 4.931 37.332 -3.140 239 H GLY 35 H GLY 35 5.451 30.718 -7.421 240 HA2 GLY 35 2HA GLY 35 3.448 31.534 -9.152 241 HA3 GLY 35 3HA GLY 35 4.604 30.259 -9.506 242 H LEU 36 H LEU 36 3.775 28.458 -7.454 243 HA LEU 36 HA LEU 36 1.526 27.275 -8.801 244 HB2 LEU 36 2HB LEU 36 2.903 26.360 -6.284 245 HB3 LEU 36 3HB LEU 36 1.854 25.401 -7.325 246 HG LEU 36 HG LEU 36 4.422 26.544 -8.368 247 HD11 LEU 36 1HD1 LEU 36 4.569 25.074 -6.175 248 HD12 LEU 36 2HD1 LEU 36 5.712 24.878 -7.503 249 HD13 LEU 36 3HD1 LEU 36 4.357 23.761 -7.333 250 HD21 LEU 36 1HD2 LEU 36 2.765 24.128 -9.086 251 HD22 LEU 36 2HD2 LEU 36 4.266 24.615 -9.874 252 HD23 LEU 36 3HD2 LEU 36 2.839 25.646 -9.980 253 H GLY 37 H GLY 37 2.045 29.167 -5.945 254 HA2 GLY 37 2HA GLY 37 0.551 30.125 -4.486 255 HA3 GLY 37 3HA GLY 37 -0.729 29.629 -5.583 256 H PHE 38 H PHE 38 1.375 27.176 -4.403 257 HA PHE 38 HA PHE 38 -0.572 26.420 -2.337 258 HB2 PHE 38 2HB PHE 38 -0.456 25.152 -4.766 259 HB3 PHE 38 3HB PHE 38 0.613 24.155 -3.785 260 HD1 PHE 38 HD1 PHE 38 -2.733 24.795 -4.706 261 HD2 PHE 38 HD2 PHE 38 -0.323 23.395 -1.490 262 HE1 PHE 38 HE1 PHE 38 -4.692 23.665 -3.736 263 HE2 PHE 38 HE2 PHE 38 -2.277 22.262 -0.514 264 HZ PHE 38 HZ PHE 38 -4.465 22.395 -1.638 265 H GLY 39 H GLY 39 0.261 25.400 -0.540 266 HA2 GLY 39 2HA GLY 39 1.844 24.698 0.974 267 HA3 GLY 39 3HA GLY 39 2.883 24.326 -0.393 268 H ASP 40 H ASP 40 1.524 27.437 0.635 269 HA ASP 40 HA ASP 40 4.101 28.692 0.365 270 HB2 ASP 40 2HB ASP 40 1.977 29.826 -0.272 271 HB3 ASP 40 3HB ASP 40 1.520 29.857 1.429 272 H LEU 41 H LEU 41 5.585 28.390 1.893 273 HA LEU 41 HA LEU 41 4.730 28.320 4.705 274 HB2 LEU 41 2HB LEU 41 7.041 27.148 3.224 275 HB3 LEU 41 3HB LEU 41 7.197 27.484 4.947 276 HG LEU 41 HG LEU 41 6.621 25.143 4.506 277 HD11 LEU 41 1HD1 LEU 41 4.737 24.985 6.046 278 HD12 LEU 41 2HD1 LEU 41 4.402 26.702 5.825 279 HD13 LEU 41 3HD1 LEU 41 5.906 26.188 6.591 280 HD21 LEU 41 1HD2 LEU 41 4.082 26.273 3.331 281 HD22 LEU 41 2HD2 LEU 41 4.414 24.566 3.628 282 HD23 LEU 41 3HD2 LEU 41 5.365 25.456 2.438 283 HA PRO 42 HA PRO 42 6.715 32.113 5.669 284 HB2 PRO 42 2HB PRO 42 7.773 31.601 8.116 285 HB3 PRO 42 3HB PRO 42 6.038 31.800 7.842 286 HG2 PRO 42 2HG PRO 42 7.636 29.284 8.115 287 HG3 PRO 42 3HG PRO 42 6.056 29.687 8.812 288 HD2 PRO 42 2HD PRO 42 6.324 28.142 6.604 289 HD3 PRO 42 3HD PRO 42 4.933 29.216 6.854 290 H ARG 43 H ARG 43 8.807 33.128 6.249 291 HA ARG 43 HA ARG 43 10.903 32.167 4.666 292 HB2 ARG 43 2HB ARG 43 12.279 33.907 5.791 293 HB3 ARG 43 3HB ARG 43 10.741 34.513 5.192 294 HG2 ARG 43 2HG ARG 43 10.502 35.417 7.211 295 HG3 ARG 43 3HG ARG 43 10.130 33.782 7.760 296 HD2 ARG 43 2HD ARG 43 12.774 33.635 7.899 297 HD3 ARG 43 3HD ARG 43 12.613 35.382 8.077 298 HE ARG 43 HE ARG 43 10.848 34.005 9.824 299 HH11 ARG 43 1HH1 ARG 43 14.186 34.897 9.396 300 HH12 ARG 43 2HH1 ARG 43 14.542 34.884 11.092 301 HH21 ARG 43 1HH2 ARG 43 11.304 33.986 12.059 302 HH22 ARG 43 2HH2 ARG 43 12.902 34.365 12.605 303 H ASP 44 H ASP 44 10.276 31.852 8.119 304 HA ASP 44 HA ASP 44 12.740 30.807 8.917 305 HB2 ASP 44 2HB ASP 44 11.616 30.013 10.885 306 HB3 ASP 44 3HB ASP 44 10.889 31.554 10.437 307 H GLU 45 H GLU 45 9.910 29.233 7.524 308 HA GLU 45 HA GLU 45 10.841 26.573 7.880 309 HB2 GLU 45 2HB GLU 45 8.493 27.794 6.968 310 HB3 GLU 45 3HB GLU 45 9.093 26.879 5.592 311 HG2 GLU 45 2HG GLU 45 9.207 25.365 8.064 312 HG3 GLU 45 3HG GLU 45 7.576 25.904 7.670 313 H VAL 46 H VAL 46 11.284 28.996 5.399 314 HA VAL 46 HA VAL 46 12.318 27.266 3.397 315 HB VAL 46 HB VAL 46 12.755 30.232 3.770 316 HG11 VAL 46 1HG1 VAL 46 13.318 28.389 1.459 317 HG12 VAL 46 2HG1 VAL 46 13.201 30.141 1.288 318 HG13 VAL 46 3HG1 VAL 46 14.448 29.435 2.317 319 HG21 VAL 46 1HG2 VAL 46 10.611 28.615 2.465 320 HG22 VAL 46 2HG2 VAL 46 10.474 30.054 3.476 321 HG23 VAL 46 3HG2 VAL 46 11.031 30.197 1.809 322 H GLU 47 H GLU 47 13.944 29.548 5.606 323 HA GLU 47 HA GLU 47 16.563 28.798 4.913 324 HB2 GLU 47 2HB GLU 47 17.218 29.901 7.037 325 HB3 GLU 47 3HB GLU 47 16.146 30.885 6.051 326 HG2 GLU 47 2HG GLU 47 15.154 31.189 8.060 327 HG3 GLU 47 3HG GLU 47 14.303 29.730 7.557 328 H ARG 48 H ARG 48 14.362 27.629 7.415 329 HA ARG 48 HA ARG 48 16.186 25.971 8.769 330 HB2 ARG 48 2HB ARG 48 14.026 26.598 9.725 331 HB3 ARG 48 3HB ARG 48 13.191 25.693 8.469 332 HG2 ARG 48 2HG ARG 48 14.314 23.630 9.322 333 HG3 ARG 48 3HG ARG 48 14.917 24.594 10.672 334 HD2 ARG 48 2HD ARG 48 12.236 25.194 10.638 335 HD3 ARG 48 3HD ARG 48 12.260 23.489 10.192 336 HE ARG 48 HE ARG 48 12.794 23.001 12.350 337 HH11 ARG 48 1HH1 ARG 48 13.666 26.312 11.720 338 HH12 ARG 48 2HH1 ARG 48 14.137 26.636 13.355 339 HH21 ARG 48 1HH2 ARG 48 13.411 23.415 14.507 340 HH22 ARG 48 2HH2 ARG 48 13.992 24.987 14.940 341 H THR 49 H THR 49 13.877 25.249 6.164 342 HA THR 49 HA THR 49 14.445 22.514 5.935 343 HB THR 49 HB THR 49 13.599 22.792 3.549 344 HG1 THR 49 HG1 THR 49 13.022 24.770 2.880 345 HG21 THR 49 1HG2 THR 49 11.980 22.094 5.065 346 HG22 THR 49 2HG2 THR 49 11.279 23.575 4.412 347 HG23 THR 49 3HG2 THR 49 12.060 23.591 5.992 348 H VAL 50 H VAL 50 15.861 25.320 4.293 349 HA VAL 50 HA VAL 50 17.549 23.895 2.552 350 HB VAL 50 HB VAL 50 17.948 26.653 3.720 351 HG11 VAL 50 1HG1 VAL 50 19.101 26.603 1.221 352 HG12 VAL 50 2HG1 VAL 50 19.961 26.515 2.760 353 HG13 VAL 50 3HG1 VAL 50 19.541 25.035 1.897 354 HG21 VAL 50 1HG2 VAL 50 15.924 25.759 2.070 355 HG22 VAL 50 2HG2 VAL 50 16.438 27.434 2.272 356 HG23 VAL 50 3HG2 VAL 50 17.090 26.465 0.950 357 H ARG 51 H ARG 51 18.021 25.081 5.845 358 HA ARG 51 HA ARG 51 20.773 24.472 6.030 359 HB2 ARG 51 2HB ARG 51 19.691 25.996 7.594 360 HB3 ARG 51 3HB ARG 51 18.676 24.692 8.196 361 HG2 ARG 51 2HG ARG 51 21.515 24.081 8.358 362 HG3 ARG 51 3HG ARG 51 21.059 25.518 9.276 363 HD2 ARG 51 2HD ARG 51 19.088 23.967 10.078 364 HD3 ARG 51 3HD ARG 51 20.210 22.684 9.624 365 HE ARG 51 HE ARG 51 21.463 24.639 11.269 366 HH11 ARG 51 1HH1 ARG 51 19.321 21.895 11.341 367 HH12 ARG 51 2HH1 ARG 51 19.716 21.465 12.972 368 HH21 ARG 51 1HH2 ARG 51 21.992 24.082 13.417 369 HH22 ARG 51 2HH2 ARG 51 21.235 22.710 14.153 370 H SER 52 H SER 52 17.858 22.636 6.833 371 HA SER 52 HA SER 52 19.172 20.428 8.002 372 HB2 SER 52 2HB SER 52 16.499 20.432 6.583 373 HB3 SER 52 3HB SER 52 17.056 19.263 7.780 374 HG SER 52 HG SER 52 16.180 20.560 9.173 375 H MET 53 H MET 53 17.893 20.926 4.717 376 HA MET 53 HA MET 53 18.773 18.440 3.703 377 HB2 MET 53 2HB MET 53 18.160 21.025 2.260 378 HB3 MET 53 3HB MET 53 18.394 19.469 1.474 379 HG2 MET 53 2HG MET 53 16.385 18.649 2.180 380 HG3 MET 53 3HG MET 53 16.344 19.674 3.612 381 HE1 MET 53 1HE MET 53 13.942 19.686 3.093 382 HE2 MET 53 2HE MET 53 13.182 20.982 2.170 383 HE3 MET 53 3HE MET 53 13.574 19.452 1.384 384 H ASN 54 H ASN 54 20.073 21.709 3.082 385 HA ASN 54 HA ASN 54 22.546 20.587 2.088 386 HB2 ASN 54 2HB ASN 54 21.601 22.569 1.007 387 HB3 ASN 54 3HB ASN 54 21.710 23.463 2.521 388 HD21 ASN 54 1HD2 ASN 54 23.942 21.323 0.782 389 HD22 ASN 54 2HD2 ASN 54 25.248 22.453 0.723 390 H THR 55 H THR 55 23.522 19.583 3.831 391 HA THR 55 HA THR 55 23.821 20.671 6.398 392 HB THR 55 HB THR 55 24.191 18.308 6.016 393 HG1 THR 55 HG1 THR 55 25.516 18.418 7.652 394 HG21 THR 55 1HG2 THR 55 25.198 18.577 3.739 395 HG22 THR 55 2HG2 THR 55 26.057 17.442 4.781 396 HG23 THR 55 3HG2 THR 55 26.701 19.063 4.521 397 H ASN 56 H ASN 56 25.788 20.965 3.493 398 HA ASN 56 HA ASN 56 27.634 22.736 4.943 399 HB2 ASN 56 2HB ASN 56 27.946 20.838 2.719 400 HB3 ASN 56 3HB ASN 56 28.758 22.381 2.468 401 HD21 ASN 56 1HD2 ASN 56 30.830 21.935 2.806 402 HD22 ASN 56 2HD2 ASN 56 31.476 21.207 4.234 403 H ALA 57 H ALA 57 26.949 24.780 4.849 404 HA ALA 57 HA ALA 57 25.315 25.849 2.808 405 HB1 ALA 57 1HB ALA 57 25.511 27.919 3.917 406 HB2 ALA 57 2HB ALA 57 25.571 26.694 5.185 407 HB3 ALA 57 3HB ALA 57 27.056 27.475 4.641 408 H ASN 58 H ASN 58 26.262 25.487 0.802 409 HA ASN 58 HA ASN 58 28.651 27.119 0.246 410 HB2 ASN 58 2HB ASN 58 28.548 24.384 0.052 411 HB3 ASN 58 3HB ASN 58 28.167 24.880 -1.594 412 HD21 ASN 58 1HD2 ASN 58 29.887 24.877 -2.828 413 HD22 ASN 58 2HD2 ASN 58 31.482 25.353 -2.364 414 H GLY 59 H GLY 59 25.535 27.298 -0.052 415 HA2 GLY 59 2HA GLY 59 24.212 28.582 -1.443 416 HA3 GLY 59 3HA GLY 59 25.627 28.880 -2.442 417 H LEU 60 H LEU 60 24.856 25.600 -1.761 418 HA LEU 60 HA LEU 60 23.366 25.296 -4.258 419 HB2 LEU 60 2HB LEU 60 25.971 24.977 -4.438 420 HB3 LEU 60 3HB LEU 60 25.607 23.402 -3.735 421 HG LEU 60 HG LEU 60 23.826 23.759 -5.894 422 HD11 LEU 60 1HD1 LEU 60 25.527 25.533 -6.559 423 HD12 LEU 60 2HD1 LEU 60 25.157 24.287 -7.750 424 HD13 LEU 60 3HD1 LEU 60 26.650 24.197 -6.816 425 HD21 LEU 60 1HD2 LEU 60 24.596 21.617 -5.205 426 HD22 LEU 60 2HD2 LEU 60 26.281 22.066 -5.471 427 HD23 LEU 60 3HD2 LEU 60 25.190 21.878 -6.845 428 H ILE 61 H ILE 61 22.065 23.463 -4.354 429 HA ILE 61 HA ILE 61 21.881 21.925 -1.845 430 HB ILE 61 HB ILE 61 19.586 22.618 -3.680 431 HG12 ILE 61 2HG1 ILE 61 20.261 23.773 -0.966 432 HG13 ILE 61 3HG1 ILE 61 20.517 24.600 -2.499 433 HG21 ILE 61 1HG2 ILE 61 19.723 21.248 -1.001 434 HG22 ILE 61 2HG2 ILE 61 18.228 21.822 -1.739 435 HG23 ILE 61 3HG2 ILE 61 19.176 20.564 -2.532 436 HD11 ILE 61 1HD1 ILE 61 18.495 25.461 -2.215 437 HD12 ILE 61 2HD1 ILE 61 17.860 23.857 -2.585 438 HD13 ILE 61 3HD1 ILE 61 18.118 24.338 -0.908 439 H GLU 62 H GLU 62 22.073 19.787 -2.015 440 HA GLU 62 HA GLU 62 22.345 18.601 -4.647 441 HB2 GLU 62 2HB GLU 62 22.579 17.210 -1.980 442 HB3 GLU 62 3HB GLU 62 23.226 16.682 -3.527 443 HG2 GLU 62 2HG GLU 62 24.511 18.987 -3.364 444 HG3 GLU 62 3HG GLU 62 24.243 18.729 -1.641 445 H TYR 63 H TYR 63 21.020 17.085 -5.545 446 HA TYR 63 HA TYR 63 18.300 17.073 -4.772 447 HB2 TYR 63 2HB TYR 63 17.988 15.455 -6.577 448 HB3 TYR 63 3HB TYR 63 19.028 16.773 -7.104 449 HD1 TYR 63 HD1 TYR 63 18.849 13.207 -6.328 450 HD2 TYR 63 HD2 TYR 63 21.406 16.395 -7.511 451 HE1 TYR 63 HE1 TYR 63 20.557 11.575 -7.013 452 HE2 TYR 63 HE2 TYR 63 23.121 14.772 -8.201 453 HH TYR 63 HH TYR 63 22.767 11.930 -8.954 454 H GLY 64 H GLY 64 20.952 14.802 -4.295 455 HA2 GLY 64 2HA GLY 64 19.442 12.629 -3.334 456 HA3 GLY 64 3HA GLY 64 21.140 12.925 -2.988 457 H GLU 65 H GLU 65 21.185 15.154 -1.516 458 HA GLU 65 HA GLU 65 20.299 14.265 1.019 459 HB2 GLU 65 2HB GLU 65 21.153 17.074 0.323 460 HB3 GLU 65 3HB GLU 65 21.240 16.284 1.891 461 HG2 GLU 65 2HG GLU 65 22.861 15.615 -0.553 462 HG3 GLU 65 3HG GLU 65 23.433 16.406 0.915 463 H PHE 66 H PHE 66 18.949 16.416 -1.371 464 HA PHE 66 HA PHE 66 17.068 17.734 0.261 465 HB2 PHE 66 2HB PHE 66 17.683 18.512 -1.997 466 HB3 PHE 66 3HB PHE 66 16.893 17.100 -2.692 467 HD1 PHE 66 HD1 PHE 66 14.432 16.858 -2.520 468 HD2 PHE 66 HD2 PHE 66 16.448 20.414 -1.334 469 HE1 PHE 66 HE1 PHE 66 12.303 18.089 -2.605 470 HE2 PHE 66 HE2 PHE 66 14.322 21.650 -1.415 471 HZ PHE 66 HZ PHE 66 12.246 20.488 -2.051 472 H GLU 67 H GLU 67 16.585 15.009 -1.993 473 HA GLU 67 HA GLU 67 13.942 14.470 -1.177 474 HB2 GLU 67 2HB GLU 67 14.182 12.368 -2.391 475 HB3 GLU 67 3HB GLU 67 14.864 13.697 -3.317 476 HG2 GLU 67 2HG GLU 67 17.113 13.025 -2.407 477 HG3 GLU 67 3HG GLU 67 16.332 11.571 -1.787 478 H ARG 68 H ARG 68 17.062 13.264 -0.081 479 HA ARG 68 HA ARG 68 16.161 11.145 1.513 480 HB2 ARG 68 2HB ARG 68 18.525 11.504 0.910 481 HB3 ARG 68 3HB ARG 68 18.568 12.923 1.949 482 HG2 ARG 68 2HG ARG 68 18.213 11.564 3.903 483 HG3 ARG 68 3HG ARG 68 18.000 10.125 2.903 484 HD2 ARG 68 2HD ARG 68 20.437 11.122 2.082 485 HD3 ARG 68 3HD ARG 68 20.438 11.424 3.820 486 HE ARG 68 HE ARG 68 19.580 8.808 3.429 487 HH11 ARG 68 1HH1 ARG 68 22.443 10.718 2.909 488 HH12 ARG 68 2HH1 ARG 68 23.528 9.380 3.096 489 HH21 ARG 68 1HH2 ARG 68 20.997 7.038 3.677 490 HH22 ARG 68 2HH2 ARG 68 22.704 7.287 3.531 491 H MET 69 H MET 69 16.704 14.562 2.305 492 HA MET 69 HA MET 69 16.019 14.326 5.043 493 HB2 MET 69 2HB MET 69 17.326 16.208 4.237 494 HB3 MET 69 3HB MET 69 15.999 16.728 3.208 495 HG2 MET 69 2HG MET 69 16.103 18.119 5.162 496 HG3 MET 69 3HG MET 69 14.636 17.145 5.206 497 HE1 MET 69 1HE MET 69 18.243 17.120 5.899 498 HE2 MET 69 2HE MET 69 18.308 17.238 7.658 499 HE3 MET 69 3HE MET 69 18.402 15.659 6.876 500 H VAL 70 H VAL 70 14.175 15.419 2.205 501 HA VAL 70 HA VAL 70 11.795 16.085 3.455 502 HB VAL 70 HB VAL 70 12.111 14.795 0.740 503 HG11 VAL 70 1HG1 VAL 70 9.842 16.289 2.029 504 HG12 VAL 70 2HG1 VAL 70 9.987 16.107 0.280 505 HG13 VAL 70 3HG1 VAL 70 9.825 14.681 1.306 506 HG21 VAL 70 1HG2 VAL 70 11.642 17.628 0.709 507 HG22 VAL 70 2HG2 VAL 70 13.068 17.260 1.678 508 HG23 VAL 70 3HG2 VAL 70 12.972 16.709 0.005 509 H LYS 71 H LYS 71 12.882 12.922 2.281 510 HA LYS 71 HA LYS 71 10.492 11.539 2.919 511 HB2 LYS 71 2HB LYS 71 12.204 10.711 1.320 512 HB3 LYS 71 3HB LYS 71 13.294 10.431 2.672 513 HG2 LYS 71 2HG LYS 71 10.698 9.167 3.029 514 HG3 LYS 71 3HG LYS 71 11.556 8.605 1.593 515 HD2 LYS 71 2HD LYS 71 12.818 8.753 4.324 516 HD3 LYS 71 3HD LYS 71 12.012 7.310 3.705 517 HE2 LYS 71 2HE LYS 71 13.679 7.928 1.645 518 HE3 LYS 71 3HE LYS 71 14.631 8.453 3.033 519 HZ1 LYS 71 1HZ LYS 71 13.579 5.747 2.463 520 HZ2 LYS 71 2HZ LYS 71 14.125 6.192 4.000 521 HZ3 LYS 71 3HZ LYS 71 15.188 6.218 2.685 522 H SER 72 H SER 72 13.321 12.421 4.750 523 HA SER 72 HA SER 72 12.961 10.608 6.900 524 HB2 SER 72 2HB SER 72 14.759 12.749 6.219 525 HB3 SER 72 3HB SER 72 14.226 12.933 7.890 526 HG SER 72 HG SER 72 15.663 11.456 8.286 527 H ARG 73 H ARG 73 12.236 14.092 6.640 528 HA ARG 73 HA ARG 73 10.875 14.266 9.100 529 HB2 ARG 73 2HB ARG 73 9.980 16.407 8.199 530 HB3 ARG 73 3HB ARG 73 11.726 16.258 8.047 531 HG2 ARG 73 2HG ARG 73 11.462 15.635 5.693 532 HG3 ARG 73 3HG ARG 73 9.714 15.817 5.851 533 HD2 ARG 73 2HD ARG 73 10.545 18.203 6.803 534 HD3 ARG 73 3HD ARG 73 11.827 17.860 5.643 535 HE ARG 73 HE ARG 73 9.592 17.377 4.216 536 HH11 ARG 73 1HH1 ARG 73 10.608 20.064 6.183 537 HH12 ARG 73 2HH1 ARG 73 9.732 21.240 5.260 538 HH21 ARG 73 1HH2 ARG 73 8.435 18.915 2.992 539 HH22 ARG 73 2HH2 ARG 73 8.496 20.585 3.445 540 H MET 74 H MET 74 9.777 13.584 5.821 541 HA MET 74 HA MET 74 7.001 13.692 6.390 542 HB2 MET 74 2HB MET 74 8.653 12.553 4.164 543 HB3 MET 74 3HB MET 74 6.936 12.186 4.254 544 HG2 MET 74 2HG MET 74 7.884 15.016 4.376 545 HG3 MET 74 3HG MET 74 7.742 14.182 2.830 546 HE1 MET 74 1HE MET 74 4.921 15.503 5.900 547 HE2 MET 74 2HE MET 74 6.499 16.115 5.405 548 HE3 MET 74 3HE MET 74 5.034 16.736 4.643 549 H ALA 75 H ALA 75 9.416 11.146 6.539 550 HA ALA 75 HA ALA 75 7.825 8.895 6.723 551 HB1 ALA 75 1HB ALA 75 10.532 9.630 7.577 552 HB2 ALA 75 2HB ALA 75 9.807 8.305 8.489 553 HB3 ALA 75 3HB ALA 75 9.956 8.191 6.735 554 H GLN 76 H GLN 76 8.575 11.292 9.189 555 HA GLN 76 HA GLN 76 7.511 9.886 11.394 556 HB2 GLN 76 2HB GLN 76 8.984 11.762 11.749 557 HB3 GLN 76 3HB GLN 76 7.877 12.845 10.915 558 HG2 GLN 76 2HG GLN 76 7.879 12.999 13.417 559 HG3 GLN 76 3HG GLN 76 6.304 12.748 12.667 560 HE21 GLN 76 1HE2 GLN 76 8.942 10.522 13.466 561 HE22 GLN 76 2HE2 GLN 76 7.990 9.473 14.455 562 H LYS 77 H LYS 77 6.092 12.274 9.190 563 HA LYS 77 HA LYS 77 3.531 12.225 10.472 564 HB2 LYS 77 2HB LYS 77 4.801 13.881 8.636 565 HB3 LYS 77 3HB LYS 77 3.512 13.130 7.704 566 HG2 LYS 77 2HG LYS 77 2.279 14.820 8.502 567 HG3 LYS 77 3HG LYS 77 2.172 13.817 9.951 568 HD2 LYS 77 2HD LYS 77 4.473 15.693 9.626 569 HD3 LYS 77 3HD LYS 77 2.902 16.323 10.129 570 HE2 LYS 77 2HE LYS 77 2.979 14.407 11.876 571 HE3 LYS 77 3HE LYS 77 4.708 14.391 11.533 572 HZ1 LYS 77 1HZ LYS 77 4.218 17.011 11.902 573 HZ2 LYS 77 2HZ LYS 77 4.798 15.964 13.097 574 HZ3 LYS 77 3HZ LYS 77 3.145 16.311 13.007 575 H ASP 78 H ASP 78 1.560 11.445 9.537 576 HA ASP 78 HA ASP 78 1.801 9.453 7.419 577 HB2 ASP 78 2HB ASP 78 1.359 8.842 10.258 578 HB3 ASP 78 3HB ASP 78 0.172 8.117 9.177 579 H SER 79 H SER 79 -0.533 8.451 7.094 580 HA SER 79 HA SER 79 -2.173 10.509 6.167 581 HB2 SER 79 2HB SER 79 -2.331 7.592 6.377 582 HB3 SER 79 3HB SER 79 -3.905 8.382 6.476 583 HG SER 79 HG SER 79 -2.534 7.886 4.312 584 HA PRO 80 HA PRO 80 -4.620 11.843 9.554 585 HB2 PRO 80 2HB PRO 80 -7.075 12.124 8.430 586 HB3 PRO 80 3HB PRO 80 -5.731 13.220 8.087 587 HG2 PRO 80 2HG PRO 80 -6.746 10.907 6.481 588 HG3 PRO 80 3HG PRO 80 -6.239 12.514 5.931 589 HD2 PRO 80 2HD PRO 80 -4.639 10.338 5.742 590 HD3 PRO 80 3HD PRO 80 -4.000 11.972 6.008 591 H GLU 81 H GLU 81 -5.997 9.163 7.693 592 HA GLU 81 HA GLU 81 -7.847 8.352 9.691 593 HB2 GLU 81 2HB GLU 81 -6.981 7.427 7.072 594 HB3 GLU 81 3HB GLU 81 -7.273 6.091 8.177 595 HG2 GLU 81 2HG GLU 81 -9.519 6.767 8.537 596 HG3 GLU 81 3HG GLU 81 -9.257 8.296 7.699 597 H GLU 82 H GLU 82 -4.601 7.239 8.789 598 HA GLU 82 HA GLU 82 -4.421 5.113 10.602 599 HB2 GLU 82 2HB GLU 82 -2.784 6.201 8.674 600 HB3 GLU 82 3HB GLU 82 -1.906 6.547 10.158 601 HG2 GLU 82 2HG GLU 82 -2.898 3.831 10.106 602 HG3 GLU 82 3HG GLU 82 -1.868 4.187 8.720 603 H VAL 83 H VAL 83 -3.457 8.514 10.938 604 HA VAL 83 HA VAL 83 -2.415 8.282 13.553 605 HB VAL 83 HB VAL 83 -3.576 10.718 12.191 606 HG11 VAL 83 1HG1 VAL 83 -1.931 10.383 14.685 607 HG12 VAL 83 2HG1 VAL 83 -2.024 11.911 13.806 608 HG13 VAL 83 3HG1 VAL 83 -3.483 11.199 14.497 609 HG21 VAL 83 1HG2 VAL 83 -0.697 10.606 12.424 610 HG22 VAL 83 2HG2 VAL 83 -1.323 9.231 11.514 611 HG23 VAL 83 3HG2 VAL 83 -1.701 10.875 10.998 612 H LEU 84 H LEU 84 -5.642 8.935 12.313 613 HA LEU 84 HA LEU 84 -6.826 9.734 14.743 614 HB2 LEU 84 2HB LEU 84 -7.749 8.862 12.088 615 HB3 LEU 84 3HB LEU 84 -8.888 8.599 13.407 616 HG LEU 84 HG LEU 84 -7.649 11.294 13.027 617 HD11 LEU 84 1HD1 LEU 84 -8.463 10.736 10.824 618 HD12 LEU 84 2HD1 LEU 84 -9.548 11.903 11.579 619 HD13 LEU 84 3HD1 LEU 84 -10.004 10.202 11.495 620 HD21 LEU 84 1HD2 LEU 84 -8.913 10.972 15.035 621 HD22 LEU 84 2HD2 LEU 84 -10.258 10.270 14.135 622 HD23 LEU 84 3HD2 LEU 84 -9.862 11.979 13.942 623 H LYS 85 H LYS 85 -6.665 6.567 13.137 624 HA LYS 85 HA LYS 85 -8.096 5.157 15.121 625 HB2 LYS 85 2HB LYS 85 -7.759 4.284 12.853 626 HB3 LYS 85 3HB LYS 85 -6.032 4.145 13.155 627 HG2 LYS 85 2HG LYS 85 -7.891 2.737 14.993 628 HG3 LYS 85 3HG LYS 85 -7.650 2.078 13.373 629 HD2 LYS 85 2HD LYS 85 -5.162 2.847 14.691 630 HD3 LYS 85 3HD LYS 85 -6.055 1.596 15.560 631 HE2 LYS 85 2HE LYS 85 -5.691 1.343 12.610 632 HE3 LYS 85 3HE LYS 85 -4.338 0.967 13.676 633 HZ1 LYS 85 1HZ LYS 85 -6.411 -0.340 14.826 634 HZ2 LYS 85 2HZ LYS 85 -5.260 -1.043 13.804 635 HZ3 LYS 85 3HZ LYS 85 -6.743 -0.523 13.177 636 H ALA 86 H ALA 86 -4.655 5.805 14.664 637 HA ALA 86 HA ALA 86 -3.663 4.133 16.686 638 HB1 ALA 86 1HB ALA 86 -1.624 5.181 16.384 639 HB2 ALA 86 2HB ALA 86 -2.421 5.460 14.835 640 HB3 ALA 86 3HB ALA 86 -2.361 6.746 16.040 641 H PHE 87 H PHE 87 -4.622 7.553 16.774 642 HA PHE 87 HA PHE 87 -3.972 7.979 19.487 643 HB2 PHE 87 2HB PHE 87 -4.593 9.651 17.528 644 HB3 PHE 87 3HB PHE 87 -6.208 9.494 18.212 645 HD1 PHE 87 HD1 PHE 87 -2.736 9.909 19.529 646 HD2 PHE 87 HD2 PHE 87 -6.798 11.176 19.639 647 HE1 PHE 87 HE1 PHE 87 -2.166 11.577 21.246 648 HE2 PHE 87 HE2 PHE 87 -6.234 12.846 21.356 649 HZ PHE 87 HZ PHE 87 -3.916 13.049 22.161 650 H GLN 88 H GLN 88 -7.101 7.318 17.918 651 HA GLN 88 HA GLN 88 -8.715 7.292 20.157 652 HB2 GLN 88 2HB GLN 88 -8.961 6.556 17.448 653 HB3 GLN 88 3HB GLN 88 -9.500 5.167 18.381 654 HG2 GLN 88 2HG GLN 88 -11.452 6.150 18.684 655 HG3 GLN 88 3HG GLN 88 -10.649 7.445 19.572 656 HE21 GLN 88 1HE2 GLN 88 -10.058 9.339 18.465 657 HE22 GLN 88 2HE2 GLN 88 -10.807 9.779 16.971 658 H LEU 89 H LEU 89 -6.906 4.577 18.744 659 HA LEU 89 HA LEU 89 -7.723 2.631 20.592 660 HB2 LEU 89 2HB LEU 89 -6.657 2.080 18.476 661 HB3 LEU 89 3HB LEU 89 -5.159 2.833 19.019 662 HG LEU 89 HG LEU 89 -6.262 0.573 20.614 663 HD11 LEU 89 1HD1 LEU 89 -6.238 -0.855 18.917 664 HD12 LEU 89 2HD1 LEU 89 -4.505 -0.570 18.769 665 HD13 LEU 89 3HD1 LEU 89 -5.639 0.382 17.812 666 HD21 LEU 89 1HD2 LEU 89 -4.347 1.256 21.614 667 HD22 LEU 89 2HD2 LEU 89 -3.668 1.911 20.124 668 HD23 LEU 89 3HD2 LEU 89 -3.627 0.173 20.424 669 H PHE 90 H PHE 90 -4.878 4.753 20.560 670 HA PHE 90 HA PHE 90 -3.658 3.769 22.879 671 HB2 PHE 90 2HB PHE 90 -3.264 5.939 21.069 672 HB3 PHE 90 3HB PHE 90 -3.182 6.572 22.710 673 HD1 PHE 90 HD1 PHE 90 -1.638 5.340 24.355 674 HD2 PHE 90 HD2 PHE 90 -1.425 4.896 20.128 675 HE1 PHE 90 HE1 PHE 90 0.668 4.507 24.563 676 HE2 PHE 90 HE2 PHE 90 0.881 4.061 20.328 677 HZ PHE 90 HZ PHE 90 1.930 3.865 22.548 678 H ASP 91 H ASP 91 -6.245 6.088 22.425 679 HA ASP 91 HA ASP 91 -6.959 5.874 25.215 680 HB2 ASP 91 2HB ASP 91 -7.074 8.469 25.339 681 HB3 ASP 91 3HB ASP 91 -5.527 7.670 25.605 682 H LEU 92 H LEU 92 -9.077 5.573 25.207 683 HA LEU 92 HA LEU 92 -10.727 5.998 22.979 684 HB2 LEU 92 2HB LEU 92 -12.599 5.672 24.656 685 HB3 LEU 92 3HB LEU 92 -11.424 4.368 24.504 686 HG LEU 92 HG LEU 92 -10.711 6.242 26.605 687 HD11 LEU 92 1HD1 LEU 92 -13.188 6.457 26.682 688 HD12 LEU 92 2HD1 LEU 92 -12.482 5.759 28.139 689 HD13 LEU 92 3HD1 LEU 92 -13.285 4.718 26.963 690 HD21 LEU 92 1HD2 LEU 92 -11.411 3.369 26.999 691 HD22 LEU 92 2HD2 LEU 92 -10.119 4.324 27.728 692 HD23 LEU 92 3HD2 LEU 92 -9.985 3.792 26.051 693 H ASP 93 H ASP 93 -10.127 7.950 25.853 694 HA ASP 93 HA ASP 93 -12.009 9.983 24.929 695 HB2 ASP 93 2HB ASP 93 -10.577 9.440 27.493 696 HB3 ASP 93 3HB ASP 93 -11.084 11.091 27.148 697 H LYS 94 H LYS 94 -11.119 12.328 25.403 698 HA LYS 94 HA LYS 94 -8.434 12.548 24.213 699 HB2 LYS 94 2HB LYS 94 -9.333 14.639 23.069 700 HB3 LYS 94 3HB LYS 94 -9.881 13.095 22.430 701 HG2 LYS 94 2HG LYS 94 -11.630 14.133 24.506 702 HG3 LYS 94 3HG LYS 94 -11.474 15.223 23.126 703 HD2 LYS 94 2HD LYS 94 -12.502 13.783 21.701 704 HD3 LYS 94 3HD LYS 94 -11.873 12.352 22.521 705 HE2 LYS 94 2HE LYS 94 -13.829 12.099 23.540 706 HE3 LYS 94 3HE LYS 94 -13.604 13.659 24.331 707 HZ1 LYS 94 1HZ LYS 94 -15.504 14.112 23.228 708 HZ2 LYS 94 2HZ LYS 94 -15.226 12.968 22.014 709 HZ3 LYS 94 3HZ LYS 94 -14.443 14.467 21.959 710 H LYS 95 H LYS 95 -7.696 12.817 26.408 711 HA LYS 95 HA LYS 95 -8.608 14.985 28.021 712 HB2 LYS 95 2HB LYS 95 -6.563 14.488 29.376 713 HB3 LYS 95 3HB LYS 95 -7.608 13.099 29.111 714 HG2 LYS 95 2HG LYS 95 -5.747 13.125 26.999 715 HG3 LYS 95 3HG LYS 95 -4.844 13.419 28.487 716 HD2 LYS 95 2HD LYS 95 -6.892 11.263 28.495 717 HD3 LYS 95 3HD LYS 95 -5.379 10.967 27.635 718 HE2 LYS 95 2HE LYS 95 -4.649 12.121 30.078 719 HE3 LYS 95 3HE LYS 95 -5.913 10.955 30.465 720 HZ1 LYS 95 1HZ LYS 95 -4.354 9.404 30.338 721 HZ2 LYS 95 2HZ LYS 95 -3.212 10.489 29.722 722 HZ3 LYS 95 3HZ LYS 95 -4.264 9.682 28.671 723 H GLY 96 H GLY 96 -6.065 14.562 25.644 724 HA2 GLY 96 2HA GLY 96 -4.825 16.136 24.509 725 HA3 GLY 96 3HA GLY 96 -5.811 17.377 25.269 726 H LYS 97 H LYS 97 -4.344 15.203 27.443 727 HA LYS 97 HA LYS 97 -2.251 17.192 28.035 728 HB2 LYS 97 2HB LYS 97 -3.760 15.397 29.943 729 HB3 LYS 97 3HB LYS 97 -2.419 16.440 30.398 730 HG2 LYS 97 2HG LYS 97 -3.698 18.275 30.438 731 HG3 LYS 97 3HG LYS 97 -4.584 17.812 28.983 732 HD2 LYS 97 2HD LYS 97 -5.669 16.029 30.544 733 HD3 LYS 97 3HD LYS 97 -5.113 17.093 31.839 734 HE2 LYS 97 2HE LYS 97 -6.654 18.200 29.525 735 HE3 LYS 97 3HE LYS 97 -7.496 17.405 30.854 736 HZ1 LYS 97 1HZ LYS 97 -6.154 19.972 30.787 737 HZ2 LYS 97 2HZ LYS 97 -5.880 19.059 32.183 738 HZ3 LYS 97 3HZ LYS 97 -7.460 19.457 31.730 739 H ILE 98 H ILE 98 -0.552 16.274 26.955 740 HA ILE 98 HA ILE 98 0.373 13.690 28.006 741 HB ILE 98 HB ILE 98 0.515 14.513 25.103 742 HG12 ILE 98 2HG1 ILE 98 -0.822 12.130 25.193 743 HG13 ILE 98 3HG1 ILE 98 -1.401 12.909 26.662 744 HG21 ILE 98 1HG2 ILE 98 2.471 13.269 25.681 745 HG22 ILE 98 2HG2 ILE 98 1.515 12.070 26.553 746 HG23 ILE 98 3HG2 ILE 98 1.388 12.192 24.798 747 HD11 ILE 98 1HD1 ILE 98 -2.264 13.311 24.016 748 HD12 ILE 98 2HD1 ILE 98 -2.798 14.141 25.478 749 HD13 ILE 98 3HD1 ILE 98 -1.463 14.796 24.530 750 H SER 99 H SER 99 2.389 13.758 28.749 751 HA SER 99 HA SER 99 3.909 16.152 28.681 752 HB2 SER 99 2HB SER 99 4.725 13.361 29.526 753 HB3 SER 99 3HB SER 99 5.639 14.832 29.857 754 HG SER 99 HG SER 99 4.459 14.867 31.601 755 H PHE 100 H PHE 100 5.487 16.811 27.353 756 HA PHE 100 HA PHE 100 5.853 15.737 24.826 757 HB2 PHE 100 2HB PHE 100 7.829 17.201 24.659 758 HB3 PHE 100 3HB PHE 100 6.458 18.038 25.380 759 HD1 PHE 100 HD1 PHE 100 6.457 18.617 27.745 760 HD2 PHE 100 HD2 PHE 100 9.810 16.730 25.925 761 HE1 PHE 100 HE1 PHE 100 7.850 19.234 29.678 762 HE2 PHE 100 HE2 PHE 100 11.208 17.343 27.854 763 HZ PHE 100 HZ PHE 100 10.228 18.596 29.735 764 H ALA 101 H ALA 101 7.627 15.124 27.801 765 HA ALA 101 HA ALA 101 9.772 13.682 26.683 766 HB1 ALA 101 1HB ALA 101 10.469 13.475 28.800 767 HB2 ALA 101 2HB ALA 101 9.126 14.552 29.187 768 HB3 ALA 101 3HB ALA 101 8.930 12.806 29.343 769 H ASN 102 H ASN 102 6.671 12.595 28.041 770 HA ASN 102 HA ASN 102 7.081 9.845 27.735 771 HB2 ASN 102 2HB ASN 102 4.851 11.612 28.325 772 HB3 ASN 102 3HB ASN 102 4.348 10.241 27.340 773 HD21 ASN 102 1HD2 ASN 102 4.763 8.115 28.133 774 HD22 ASN 102 2HD2 ASN 102 4.894 7.831 29.832 775 H LEU 103 H LEU 103 5.620 12.210 25.529 776 HA LEU 103 HA LEU 103 4.886 10.413 23.507 777 HB2 LEU 103 2HB LEU 103 4.112 12.749 23.671 778 HB3 LEU 103 3HB LEU 103 5.726 13.295 23.219 779 HG LEU 103 HG LEU 103 5.227 11.774 21.096 780 HD11 LEU 103 1HD1 LEU 103 3.015 11.085 22.019 781 HD12 LEU 103 2HD1 LEU 103 2.937 11.834 20.424 782 HD13 LEU 103 3HD1 LEU 103 2.484 12.759 21.856 783 HD21 LEU 103 1HD2 LEU 103 5.651 13.834 20.352 784 HD22 LEU 103 2HD2 LEU 103 4.899 14.588 21.758 785 HD23 LEU 103 3HD2 LEU 103 3.905 14.086 20.389 786 H LYS 104 H LYS 104 7.846 12.333 23.924 787 HA LYS 104 HA LYS 104 9.145 11.576 21.577 788 HB2 LYS 104 2HB LYS 104 9.870 13.385 23.149 789 HB3 LYS 104 3HB LYS 104 10.458 12.138 24.241 790 HG2 LYS 104 2HG LYS 104 11.454 11.953 21.483 791 HG3 LYS 104 3HG LYS 104 11.971 13.380 22.384 792 HD2 LYS 104 2HD LYS 104 12.148 10.663 23.628 793 HD3 LYS 104 3HD LYS 104 13.392 11.207 22.500 794 HE2 LYS 104 2HE LYS 104 12.564 12.949 24.786 795 HE3 LYS 104 3HE LYS 104 13.691 11.619 25.050 796 HZ1 LYS 104 1HZ LYS 104 15.331 12.776 24.135 797 HZ2 LYS 104 2HZ LYS 104 14.320 14.132 24.172 798 HZ3 LYS 104 3HZ LYS 104 14.408 13.181 22.775 799 H GLU 105 H GLU 105 9.295 10.099 24.809 800 HA GLU 105 HA GLU 105 11.114 8.071 24.222 801 HB2 GLU 105 2HB GLU 105 10.042 8.814 26.484 802 HB3 GLU 105 3HB GLU 105 8.826 7.604 26.102 803 HG2 GLU 105 2HG GLU 105 10.218 5.877 26.494 804 HG3 GLU 105 3HG GLU 105 11.630 6.732 25.877 805 H VAL 106 H VAL 106 7.553 7.941 24.181 806 HA VAL 106 HA VAL 106 7.248 5.318 23.335 807 HB VAL 106 HB VAL 106 5.496 7.663 22.584 808 HG11 VAL 106 1HG1 VAL 106 4.809 5.900 21.223 809 HG12 VAL 106 2HG1 VAL 106 5.111 4.692 22.474 810 HG13 VAL 106 3HG1 VAL 106 3.737 5.789 22.619 811 HG21 VAL 106 1HG2 VAL 106 4.776 7.742 24.686 812 HG22 VAL 106 2HG2 VAL 106 4.504 5.999 24.714 813 HG23 VAL 106 3HG2 VAL 106 6.091 6.650 25.121 814 H ALA 107 H ALA 107 7.775 8.245 21.424 815 HA ALA 107 HA ALA 107 7.410 7.091 18.882 816 HB1 ALA 107 1HB ALA 107 7.374 9.379 18.787 817 HB2 ALA 107 2HB ALA 107 8.728 9.557 19.903 818 HB3 ALA 107 3HB ALA 107 9.020 9.064 18.235 819 H LYS 108 H LYS 108 10.411 7.772 20.684 820 HA LYS 108 HA LYS 108 12.186 6.648 18.847 821 HB2 LYS 108 2HB LYS 108 12.396 6.894 21.852 822 HB3 LYS 108 3HB LYS 108 13.731 6.426 20.808 823 HG2 LYS 108 2HG LYS 108 12.241 9.031 20.582 824 HG3 LYS 108 3HG LYS 108 13.749 8.815 21.474 825 HD2 LYS 108 2HD LYS 108 14.638 7.845 19.238 826 HD3 LYS 108 3HD LYS 108 13.256 8.679 18.523 827 HE2 LYS 108 2HE LYS 108 14.921 10.238 20.406 828 HE3 LYS 108 3HE LYS 108 15.658 9.824 18.859 829 HZ1 LYS 108 1HZ LYS 108 14.456 11.982 18.887 830 HZ2 LYS 108 2HZ LYS 108 13.010 11.136 19.118 831 HZ3 LYS 108 3HZ LYS 108 13.906 10.907 17.701 832 H LEU 109 H LEU 109 10.224 5.168 21.340 833 HA LEU 109 HA LEU 109 11.490 2.660 21.439 834 HB2 LEU 109 2HB LEU 109 9.801 3.535 23.058 835 HB3 LEU 109 3HB LEU 109 8.559 3.227 21.846 836 HG LEU 109 HG LEU 109 10.062 0.832 22.268 837 HD11 LEU 109 1HD1 LEU 109 9.155 2.270 24.741 838 HD12 LEU 109 2HD1 LEU 109 10.700 1.483 24.422 839 HD13 LEU 109 3HD1 LEU 109 9.250 0.510 24.667 840 HD21 LEU 109 1HD2 LEU 109 7.225 1.714 22.725 841 HD22 LEU 109 2HD2 LEU 109 7.769 0.068 23.051 842 HD23 LEU 109 3HD2 LEU 109 7.870 0.723 21.416 843 H LEU 110 H LEU 110 9.176 4.035 19.216 844 HA LEU 110 HA LEU 110 8.347 1.625 17.986 845 HB2 LEU 110 2HB LEU 110 8.432 4.440 16.913 846 HB3 LEU 110 3HB LEU 110 7.613 3.089 16.131 847 HG LEU 110 HG LEU 110 6.897 4.136 18.867 848 HD11 LEU 110 1HD1 LEU 110 6.250 5.925 17.606 849 HD12 LEU 110 2HD1 LEU 110 4.827 4.900 17.423 850 HD13 LEU 110 3HD1 LEU 110 6.039 4.962 16.143 851 HD21 LEU 110 1HD2 LEU 110 5.803 2.192 18.953 852 HD22 LEU 110 2HD2 LEU 110 6.064 1.869 17.239 853 HD23 LEU 110 3HD2 LEU 110 4.716 2.887 17.750 854 H GLY 111 H GLY 111 11.279 3.333 17.886 855 HA2 GLY 111 2HA GLY 111 13.248 2.567 16.872 856 HA3 GLY 111 3HA GLY 111 12.283 1.520 15.841 857 H GLU 112 H GLU 112 11.289 4.800 16.089 858 HA GLU 112 HA GLU 112 12.170 5.242 13.329 859 HB2 GLU 112 2HB GLU 112 9.753 5.498 13.899 860 HB3 GLU 112 3HB GLU 112 10.184 6.833 14.958 861 HG2 GLU 112 2HG GLU 112 9.789 8.120 13.186 862 HG3 GLU 112 3HG GLU 112 11.368 7.577 12.622 863 H ASN 113 H ASN 113 13.608 6.776 12.783 864 HA ASN 113 HA ASN 113 14.602 8.529 14.933 865 HB2 ASN 113 2HB ASN 113 16.019 6.950 12.837 866 HB3 ASN 113 3HB ASN 113 16.709 8.500 13.307 867 HD21 ASN 113 1HD2 ASN 113 16.554 8.750 15.853 868 HD22 ASN 113 2HD2 ASN 113 17.242 7.423 16.718 869 HA PRO 114 HA PRO 114 12.840 11.167 11.519 870 HB2 PRO 114 2HB PRO 114 11.417 12.784 13.171 871 HB3 PRO 114 3HB PRO 114 10.778 11.267 12.526 872 HG2 PRO 114 2HG PRO 114 11.971 11.829 15.213 873 HG3 PRO 114 3HG PRO 114 10.535 10.873 14.805 874 HD2 PRO 114 2HD PRO 114 12.930 9.739 15.360 875 HD3 PRO 114 3HD PRO 114 11.779 9.025 14.213 876 H GLY 115 H GLY 115 12.950 13.617 11.397 877 HA2 GLY 115 2HA GLY 115 15.577 14.445 12.191 878 HA3 GLY 115 3HA GLY 115 14.404 15.408 11.305 879 H ASP 116 H ASP 116 16.210 15.902 13.704 880 HA ASP 116 HA ASP 116 14.726 16.226 16.032 881 HB2 ASP 116 2HB ASP 116 17.053 16.514 16.231 882 HB3 ASP 116 3HB ASP 116 17.108 17.692 14.922 883 H ASP 117 H ASP 117 14.930 18.251 13.174 884 HA ASP 117 HA ASP 117 13.736 20.573 14.163 885 HB2 ASP 117 2HB ASP 117 13.011 20.903 11.737 886 HB3 ASP 117 3HB ASP 117 14.737 20.705 12.025 887 H VAL 118 H VAL 118 12.315 17.582 12.972 888 HA VAL 118 HA VAL 118 9.630 18.511 12.920 889 HB VAL 118 HB VAL 118 10.616 15.669 13.197 890 HG11 VAL 118 1HG1 VAL 118 8.431 15.288 13.526 891 HG12 VAL 118 2HG1 VAL 118 7.963 16.885 12.939 892 HG13 VAL 118 3HG1 VAL 118 8.283 15.582 11.794 893 HG21 VAL 118 1HG2 VAL 118 10.123 17.390 10.780 894 HG22 VAL 118 2HG2 VAL 118 11.601 16.541 11.230 895 HG23 VAL 118 3HG2 VAL 118 10.187 15.629 10.703 896 H LEU 119 H LEU 119 11.687 17.154 15.393 897 HA LEU 119 HA LEU 119 9.611 16.521 17.238 898 HB2 LEU 119 2HB LEU 119 12.201 15.868 17.086 899 HB3 LEU 119 3HB LEU 119 12.314 17.195 18.241 900 HG LEU 119 HG LEU 119 12.204 15.120 19.439 901 HD11 LEU 119 1HD1 LEU 119 10.830 17.202 20.139 902 HD12 LEU 119 2HD1 LEU 119 10.558 15.669 20.965 903 HD13 LEU 119 3HD1 LEU 119 9.434 16.209 19.718 904 HD21 LEU 119 1HD2 LEU 119 9.484 14.472 18.438 905 HD22 LEU 119 2HD2 LEU 119 10.753 13.407 19.043 906 HD23 LEU 119 3HD2 LEU 119 10.862 14.072 17.412 907 H GLN 120 H GLN 120 12.005 19.167 17.179 908 HA GLN 120 HA GLN 120 10.918 20.606 19.324 909 HB2 GLN 120 2HB GLN 120 12.368 21.841 16.987 910 HB3 GLN 120 3HB GLN 120 12.316 22.413 18.650 911 HG2 GLN 120 2HG GLN 120 13.820 20.094 17.506 912 HG3 GLN 120 3HG GLN 120 14.429 21.469 18.426 913 HE21 GLN 120 1HE2 GLN 120 13.215 21.608 20.662 914 HE22 GLN 120 2HE2 GLN 120 13.231 20.133 21.561 915 H GLU 121 H GLU 121 10.355 20.869 15.833 916 HA GLU 121 HA GLU 121 8.639 23.094 15.930 917 HB2 GLU 121 2HB GLU 121 8.983 20.860 13.942 918 HB3 GLU 121 3HB GLU 121 7.789 22.129 13.705 919 HG2 GLU 121 2HG GLU 121 10.532 23.020 14.314 920 HG3 GLU 121 3HG GLU 121 10.288 22.241 12.752 921 H MET 122 H MET 122 7.960 19.611 15.973 922 HA MET 122 HA MET 122 5.179 19.731 15.936 923 HB2 MET 122 2HB MET 122 6.340 17.633 15.647 924 HB3 MET 122 3HB MET 122 7.013 17.734 17.268 925 HG2 MET 122 2HG MET 122 5.172 16.903 18.216 926 HG3 MET 122 3HG MET 122 4.099 17.855 17.193 927 HE1 MET 122 1HE MET 122 5.927 13.770 16.162 928 HE2 MET 122 2HE MET 122 6.848 15.213 15.738 929 HE3 MET 122 3HE MET 122 6.455 14.882 17.426 930 H ILE 123 H ILE 123 7.326 19.498 18.775 931 HA ILE 123 HA ILE 123 5.335 19.701 20.724 932 HB ILE 123 HB ILE 123 8.204 20.630 20.893 933 HG12 ILE 123 2HG1 ILE 123 7.933 18.245 20.286 934 HG13 ILE 123 3HG1 ILE 123 8.651 18.449 21.880 935 HG21 ILE 123 1HG2 ILE 123 7.079 21.631 22.697 936 HG22 ILE 123 2HG2 ILE 123 6.095 20.198 22.986 937 HG23 ILE 123 3HG2 ILE 123 7.817 20.176 23.367 938 HD11 ILE 123 1HD1 ILE 123 7.037 16.669 21.926 939 HD12 ILE 123 2HD1 ILE 123 6.446 18.024 22.888 940 HD13 ILE 123 3HD1 ILE 123 5.792 17.735 21.276 941 H ALA 124 H ALA 124 7.130 22.197 18.997 942 HA ALA 124 HA ALA 124 6.334 24.413 20.512 943 HB1 ALA 124 1HB ALA 124 8.093 24.236 18.635 944 HB2 ALA 124 2HB ALA 124 6.744 24.574 17.549 945 HB3 ALA 124 3HB ALA 124 7.182 25.737 18.801 946 H GLU 125 H GLU 125 4.864 22.968 17.613 947 HA GLU 125 HA GLU 125 2.739 24.806 17.398 948 HB2 GLU 125 2HB GLU 125 3.507 22.270 16.178 949 HB3 GLU 125 3HB GLU 125 1.765 22.437 16.347 950 HG2 GLU 125 2HG GLU 125 3.315 24.704 15.208 951 HG3 GLU 125 3HG GLU 125 3.014 23.286 14.206 952 H ALA 126 H ALA 126 2.888 21.572 18.872 953 HA ALA 126 HA ALA 126 0.221 21.511 19.769 954 HB1 ALA 126 1HB ALA 126 2.564 20.099 21.032 955 HB2 ALA 126 2HB ALA 126 0.864 19.635 21.106 956 HB3 ALA 126 3HB ALA 126 1.738 19.540 19.577 957 H ASP 127 H ASP 127 3.086 22.998 21.058 958 HA ASP 127 HA ASP 127 2.193 23.326 23.729 959 HB2 ASP 127 2HB ASP 127 4.419 24.296 22.071 960 HB3 ASP 127 3HB ASP 127 3.917 25.418 23.334 961 H GLU 128 H GLU 128 1.581 25.039 20.775 962 HA GLU 128 HA GLU 128 0.751 27.508 21.845 963 HB2 GLU 128 2HB GLU 128 1.191 26.724 19.366 964 HB3 GLU 128 3HB GLU 128 -0.534 26.390 19.389 965 HG2 GLU 128 2HG GLU 128 -1.106 28.589 19.497 966 HG3 GLU 128 3HG GLU 128 0.372 29.047 20.341 967 H ASP 129 H ASP 129 -0.800 24.416 21.629 968 HA ASP 129 HA ASP 129 -3.485 25.246 21.877 969 HB2 ASP 129 2HB ASP 129 -2.849 22.973 21.185 970 HB3 ASP 129 3HB ASP 129 -2.196 22.665 22.792 971 H GLY 130 H GLY 130 -0.923 24.752 24.211 972 HA2 GLY 130 2HA GLY 130 -2.617 25.986 26.253 973 HA3 GLY 130 3HA GLY 130 -1.934 24.408 26.615 974 H ASP 131 H ASP 131 -0.475 24.837 28.163 975 HA ASP 131 HA ASP 131 1.695 26.696 27.467 976 HB2 ASP 131 2HB ASP 131 0.071 27.646 29.177 977 HB3 ASP 131 3HB ASP 131 0.630 26.386 30.274 978 H GLY 132 H GLY 132 3.059 25.022 26.862 979 HA2 GLY 132 2HA GLY 132 4.835 23.613 27.347 980 HA3 GLY 132 3HA GLY 132 4.389 23.690 29.045 981 H GLU 133 H GLU 133 1.953 22.846 26.747 982 HA GLU 133 HA GLU 133 2.217 20.014 27.515 983 HB2 GLU 133 2HB GLU 133 -0.363 21.547 27.155 984 HB3 GLU 133 3HB GLU 133 -0.220 19.847 27.580 985 HG2 GLU 133 2HG GLU 133 0.876 20.465 29.676 986 HG3 GLU 133 3HG GLU 133 0.714 22.168 29.252 987 H VAL 134 H VAL 134 1.519 18.467 25.984 988 HA VAL 134 HA VAL 134 1.441 19.501 23.227 989 HB VAL 134 HB VAL 134 2.258 16.728 24.092 990 HG11 VAL 134 1HG1 VAL 134 1.402 17.377 21.687 991 HG12 VAL 134 2HG1 VAL 134 3.048 17.991 21.515 992 HG13 VAL 134 3HG1 VAL 134 2.776 16.292 21.906 993 HG21 VAL 134 1HG2 VAL 134 4.579 17.531 23.551 994 HG22 VAL 134 2HG2 VAL 134 3.933 19.172 23.547 995 HG23 VAL 134 3HG2 VAL 134 3.875 18.205 25.021 996 H SER 135 H SER 135 -0.581 19.537 22.489 997 HA SER 135 HA SER 135 -2.348 17.269 23.138 998 HB2 SER 135 2HB SER 135 -3.348 19.226 24.030 999 HB3 SER 135 3HB SER 135 -2.964 20.172 22.592 1000 HG SER 135 HG SER 135 -5.206 19.375 22.838 1001 H PHE 136 H PHE 136 -2.291 15.876 21.493 1002 HA PHE 136 HA PHE 136 -1.609 16.442 18.851 1003 HB2 PHE 136 2HB PHE 136 -2.442 14.164 20.347 1004 HB3 PHE 136 3HB PHE 136 -3.404 14.227 18.873 1005 HD1 PHE 136 HD1 PHE 136 -2.298 14.165 16.671 1006 HD2 PHE 136 HD2 PHE 136 -0.128 13.638 20.295 1007 HE1 PHE 136 HE1 PHE 136 -0.421 13.205 15.403 1008 HE2 PHE 136 HE2 PHE 136 1.753 12.677 19.033 1009 HZ PHE 136 HZ PHE 136 1.609 12.460 16.584 1010 H GLU 137 H GLU 137 -4.648 16.719 20.517 1011 HA GLU 137 HA GLU 137 -6.471 16.671 18.444 1012 HB2 GLU 137 2HB GLU 137 -7.162 16.846 20.766 1013 HB3 GLU 137 3HB GLU 137 -6.446 18.447 20.889 1014 HG2 GLU 137 2HG GLU 137 -8.169 19.455 19.838 1015 HG3 GLU 137 3HG GLU 137 -8.471 18.080 18.777 1016 H GLU 138 H GLU 138 -4.351 19.298 19.470 1017 HA GLU 138 HA GLU 138 -5.434 21.308 17.823 1018 HB2 GLU 138 2HB GLU 138 -3.561 21.284 19.763 1019 HB3 GLU 138 3HB GLU 138 -2.520 21.366 18.349 1020 HG2 GLU 138 2HG GLU 138 -4.735 23.290 19.018 1021 HG3 GLU 138 3HG GLU 138 -3.010 23.579 19.231 1022 H PHE 139 H PHE 139 -2.638 19.161 17.327 1023 HA PHE 139 HA PHE 139 -1.895 20.063 14.804 1024 HB2 PHE 139 2HB PHE 139 -1.014 18.106 16.518 1025 HB3 PHE 139 3HB PHE 139 -1.629 17.163 15.165 1026 HD1 PHE 139 HD1 PHE 139 1.223 18.553 16.456 1027 HD2 PHE 139 HD2 PHE 139 -0.924 18.303 12.789 1028 HE1 PHE 139 HE1 PHE 139 3.301 18.992 15.213 1029 HE2 PHE 139 HE2 PHE 139 1.151 18.740 11.541 1030 HZ PHE 139 HZ PHE 139 3.267 19.085 12.752 1031 H LYS 140 H LYS 140 -4.070 17.373 15.641 1032 HA LYS 140 HA LYS 140 -4.735 16.591 13.055 1033 HB2 LYS 140 2HB LYS 140 -5.308 15.312 15.088 1034 HB3 LYS 140 3HB LYS 140 -6.501 16.534 15.509 1035 HG2 LYS 140 2HG LYS 140 -7.876 15.040 14.512 1036 HG3 LYS 140 3HG LYS 140 -7.392 15.947 13.077 1037 HD2 LYS 140 2HD LYS 140 -5.472 13.886 13.617 1038 HD3 LYS 140 3HD LYS 140 -7.093 13.191 13.565 1039 HE2 LYS 140 2HE LYS 140 -5.927 14.990 11.444 1040 HE3 LYS 140 3HE LYS 140 -5.949 13.229 11.360 1041 HZ1 LYS 140 1HZ LYS 140 -7.874 13.589 10.292 1042 HZ2 LYS 140 2HZ LYS 140 -8.101 15.128 10.956 1043 HZ3 LYS 140 3HZ LYS 140 -8.518 13.752 11.848 1044 H SER 141 H SER 141 -6.322 18.969 15.163 1045 HA SER 141 HA SER 141 -8.452 19.641 13.509 1046 HB2 SER 141 2HB SER 141 -8.702 20.629 15.561 1047 HB3 SER 141 3HB SER 141 -6.984 21.001 15.710 1048 HG SER 141 HG SER 141 -8.258 22.881 15.394 1049 H VAL 142 H VAL 142 -5.244 21.173 13.709 1050 HA VAL 142 HA VAL 142 -5.620 23.088 11.716 1051 HB VAL 142 HB VAL 142 -3.041 21.681 12.423 1052 HG11 VAL 142 1HG1 VAL 142 -3.714 23.912 10.635 1053 HG12 VAL 142 2HG1 VAL 142 -2.369 24.217 11.736 1054 HG13 VAL 142 3HG1 VAL 142 -2.315 22.838 10.636 1055 HG21 VAL 142 1HG2 VAL 142 -4.682 23.297 14.023 1056 HG22 VAL 142 2HG2 VAL 142 -3.027 22.786 14.351 1057 HG23 VAL 142 3HG2 VAL 142 -3.330 24.315 13.526 1058 H MET 143 H MET 143 -4.449 19.751 11.488 1059 HA MET 143 HA MET 143 -3.725 19.738 8.799 1060 HB2 MET 143 2HB MET 143 -3.802 17.878 10.828 1061 HB3 MET 143 3HB MET 143 -5.002 17.261 9.700 1062 HG2 MET 143 2HG MET 143 -3.197 16.244 8.821 1063 HG3 MET 143 3HG MET 143 -3.044 17.781 7.972 1064 HE1 MET 143 1HE MET 143 -0.486 15.387 10.150 1065 HE2 MET 143 2HE MET 143 -1.229 15.438 8.551 1066 HE3 MET 143 3HE MET 143 0.360 16.162 8.810 1067 H MET 144 H MET 144 -6.848 18.863 10.274 1068 HA MET 144 HA MET 144 -8.190 18.289 7.880 1069 HB2 MET 144 2HB MET 144 -8.933 17.767 10.257 1070 HB3 MET 144 3HB MET 144 -9.489 19.433 10.349 1071 HG2 MET 144 2HG MET 144 -10.733 18.753 8.116 1072 HG3 MET 144 3HG MET 144 -10.585 17.145 8.821 1073 HE1 MET 144 1HE MET 144 -11.799 20.659 9.045 1074 HE2 MET 144 2HE MET 144 -13.103 20.659 10.232 1075 HE3 MET 144 3HE MET 144 -11.424 20.735 10.767 1076 H GLN 145 H GLN 145 -7.859 21.307 9.698 1077 HA GLN 145 HA GLN 145 -9.621 22.884 8.223 1078 HB2 GLN 145 2HB GLN 145 -8.587 23.581 10.352 1079 HB3 GLN 145 3HB GLN 145 -7.036 23.737 9.539 1080 HG2 GLN 145 2HG GLN 145 -8.617 25.308 7.986 1081 HG3 GLN 145 3HG GLN 145 -9.335 25.544 9.579 1082 HE21 GLN 145 1HE2 GLN 145 -8.202 26.621 11.146 1083 HE22 GLN 145 2HE2 GLN 145 -6.722 27.456 10.838 1084 H MET 146 H MET 146 -6.130 22.375 7.758 1085 HA MET 146 HA MET 146 -5.870 24.026 5.497 1086 HB2 MET 146 2HB MET 146 -4.261 21.795 6.670 1087 HB3 MET 146 3HB MET 146 -3.856 22.387 5.064 1088 HG2 MET 146 2HG MET 146 -4.212 24.578 6.891 1089 HG3 MET 146 3HG MET 146 -3.036 23.423 7.516 1090 HE1 MET 146 1HE MET 146 -3.633 23.811 3.659 1091 HE2 MET 146 2HE MET 146 -4.095 25.392 4.290 1092 HE3 MET 146 3HE MET 146 -2.651 25.230 3.290 1093 H ARG 147 H ARG 147 -6.457 20.538 5.794 1094 HA ARG 147 HA ARG 147 -6.369 19.843 3.112 1095 HB2 ARG 147 2HB ARG 147 -8.097 18.738 5.331 1096 HB3 ARG 147 3HB ARG 147 -7.930 17.986 3.750 1097 HG2 ARG 147 2HG ARG 147 -5.469 18.575 5.311 1098 HG3 ARG 147 3HG ARG 147 -6.478 17.209 5.790 1099 HD2 ARG 147 2HD ARG 147 -5.736 17.523 2.921 1100 HD3 ARG 147 3HD ARG 147 -4.527 16.916 4.051 1101 HE ARG 147 HE ARG 147 -6.827 15.438 4.482 1102 HH11 ARG 147 1HH1 ARG 147 -4.590 16.011 1.877 1103 HH12 ARG 147 2HH1 ARG 147 -4.821 14.450 1.161 1104 HH21 ARG 147 1HH2 ARG 147 -7.140 13.380 3.550 1105 HH22 ARG 147 2HH2 ARG 147 -6.273 12.955 2.113 1106 H GLY 148 H GLY 148 -9.158 20.960 5.020 1107 HA2 GLY 148 2HA GLY 148 -11.045 20.827 2.932 1108 HA3 GLY 148 3HA GLY 148 -11.187 21.818 4.376 1109 H LYS 149 H LYS 149 -9.253 23.641 4.187 1110 HA LYS 149 HA LYS 149 -10.237 25.534 2.411 1111 HB2 LYS 149 2HB LYS 149 -7.448 25.415 3.574 1112 HB3 LYS 149 3HB LYS 149 -8.242 26.847 2.931 1113 HG2 LYS 149 2HG LYS 149 -9.893 25.656 4.943 1114 HG3 LYS 149 3HG LYS 149 -8.261 25.900 5.570 1115 HD2 LYS 149 2HD LYS 149 -8.425 28.258 4.614 1116 HD3 LYS 149 3HD LYS 149 -10.152 27.942 4.429 1117 HE2 LYS 149 2HE LYS 149 -8.748 27.532 7.050 1118 HE3 LYS 149 3HE LYS 149 -9.357 29.115 6.570 1119 HZ1 LYS 149 1HZ LYS 149 -10.870 26.651 7.148 1120 HZ2 LYS 149 2HZ LYS 149 -11.544 27.860 6.175 1121 HZ3 LYS 149 3HZ LYS 149 -11.096 28.209 7.769 Start of MODEL 16 1 H1 MET 1 H MET 1 0.730 -0.372 -0.601 2 HA MET 1 HA MET 1 1.472 -0.878 -2.818 3 HB2 MET 1 2HB MET 1 -1.239 0.157 -3.375 4 HB3 MET 1 3HB MET 1 -0.022 0.534 -4.587 5 HG2 MET 1 2HG MET 1 0.465 -2.090 -4.209 6 HG3 MET 1 3HG MET 1 -1.265 -2.032 -3.882 7 HE1 MET 1 1HE MET 1 0.850 -1.414 -7.887 8 HE2 MET 1 2HE MET 1 1.373 -0.531 -6.452 9 HE3 MET 1 3HE MET 1 1.444 -2.294 -6.478 10 H ALA 2 H ALA 2 -0.172 2.288 -2.747 11 HA ALA 2 HA ALA 2 2.469 3.579 -2.726 12 HB1 ALA 2 1HB ALA 2 2.041 3.882 -4.951 13 HB2 ALA 2 2HB ALA 2 0.291 3.903 -4.727 14 HB3 ALA 2 3HB ALA 2 1.254 5.315 -4.291 15 H ALA 3 H ALA 3 2.610 5.460 -1.568 16 HA ALA 3 HA ALA 3 0.230 6.172 0.003 17 HB1 ALA 3 1HB ALA 3 2.292 7.432 1.252 18 HB2 ALA 3 2HB ALA 3 1.691 5.826 1.669 19 HB3 ALA 3 3HB ALA 3 3.091 5.997 0.610 20 H LEU 4 H LEU 4 -0.327 8.353 0.327 21 HA LEU 4 HA LEU 4 -0.200 10.007 -1.904 22 HB2 LEU 4 2HB LEU 4 -0.974 11.808 -0.344 23 HB3 LEU 4 3HB LEU 4 -1.942 10.335 -0.340 24 HG LEU 4 HG LEU 4 -0.096 9.969 1.712 25 HD11 LEU 4 1HD1 LEU 4 0.573 12.244 1.755 26 HD12 LEU 4 2HD1 LEU 4 -0.538 12.013 3.105 27 HD13 LEU 4 3HD1 LEU 4 -1.094 12.807 1.632 28 HD21 LEU 4 1HD2 LEU 4 -2.329 10.737 3.015 29 HD22 LEU 4 2HD2 LEU 4 -2.125 9.157 2.258 30 HD23 LEU 4 3HD2 LEU 4 -2.987 10.439 1.406 31 H THR 5 H THR 5 1.802 9.962 1.003 32 HA THR 5 HA THR 5 3.216 12.311 0.704 33 HB THR 5 HB THR 5 5.170 10.974 1.747 34 HG1 THR 5 HG1 THR 5 4.781 8.884 1.463 35 HG21 THR 5 1HG2 THR 5 2.653 10.772 3.356 36 HG22 THR 5 2HG2 THR 5 3.276 12.353 2.883 37 HG23 THR 5 3HG2 THR 5 4.266 11.271 3.862 38 H ASP 6 H ASP 6 3.857 9.162 -0.796 39 HA ASP 6 HA ASP 6 6.258 9.797 -2.067 40 HB2 ASP 6 2HB ASP 6 5.249 7.509 -1.871 41 HB3 ASP 6 3HB ASP 6 4.115 7.955 -3.143 42 H GLU 7 H GLU 7 2.919 10.111 -3.238 43 HA GLU 7 HA GLU 7 3.565 11.089 -5.797 44 HB2 GLU 7 2HB GLU 7 1.271 10.311 -4.621 45 HB3 GLU 7 3HB GLU 7 1.069 12.055 -4.523 46 HG2 GLU 7 2HG GLU 7 1.156 12.299 -6.863 47 HG3 GLU 7 3HG GLU 7 1.755 10.657 -7.088 48 H GLN 8 H GLN 8 3.165 12.674 -2.693 49 HA GLN 8 HA GLN 8 3.044 15.331 -3.624 50 HB2 GLN 8 2HB GLN 8 2.447 14.581 -1.319 51 HB3 GLN 8 3HB GLN 8 4.160 14.360 -0.989 52 HG2 GLN 8 2HG GLN 8 4.594 16.663 -1.123 53 HG3 GLN 8 3HG GLN 8 3.036 16.993 -1.880 54 HE21 GLN 8 1HE2 GLN 8 2.959 18.612 -0.136 55 HE22 GLN 8 2HE2 GLN 8 2.333 18.129 1.400 56 H ILE 9 H ILE 9 5.799 13.512 -2.273 57 HA ILE 9 HA ILE 9 7.733 15.481 -2.784 58 HB ILE 9 HB ILE 9 9.393 13.635 -2.587 59 HG12 ILE 9 2HG1 ILE 9 6.918 11.916 -2.310 60 HG13 ILE 9 3HG1 ILE 9 8.067 11.860 -3.642 61 HG21 ILE 9 1HG2 ILE 9 9.077 13.322 -0.281 62 HG22 ILE 9 2HG2 ILE 9 8.291 14.858 -0.644 63 HG23 ILE 9 3HG2 ILE 9 7.322 13.401 -0.426 64 HD11 ILE 9 1HD1 ILE 9 8.383 10.917 -0.832 65 HD12 ILE 9 2HD1 ILE 9 8.716 10.075 -2.346 66 HD13 ILE 9 3HD1 ILE 9 9.800 11.349 -1.787 67 H ARG 10 H ARG 10 6.422 12.917 -4.782 68 HA ARG 10 HA ARG 10 8.371 12.971 -6.820 69 HB2 ARG 10 2HB ARG 10 6.839 11.115 -6.653 70 HB3 ARG 10 3HB ARG 10 5.457 12.178 -6.881 71 HG2 ARG 10 2HG ARG 10 5.938 10.926 -8.902 72 HG3 ARG 10 3HG ARG 10 6.190 12.654 -9.159 73 HD2 ARG 10 2HD ARG 10 8.554 12.408 -9.026 74 HD3 ARG 10 3HD ARG 10 8.410 10.744 -8.463 75 HE ARG 10 HE ARG 10 8.358 11.650 -11.169 76 HH11 ARG 10 1HH1 ARG 10 7.152 9.206 -9.002 77 HH12 ARG 10 2HH1 ARG 10 6.930 8.024 -10.249 78 HH21 ARG 10 1HH2 ARG 10 8.070 10.102 -12.820 79 HH22 ARG 10 2HH2 ARG 10 7.453 8.535 -12.420 80 H GLU 11 H GLU 11 5.234 14.620 -6.521 81 HA GLU 11 HA GLU 11 5.394 15.991 -8.985 82 HB2 GLU 11 2HB GLU 11 3.523 15.738 -6.916 83 HB3 GLU 11 3HB GLU 11 3.895 17.454 -6.989 84 HG2 GLU 11 2HG GLU 11 3.576 16.730 -9.637 85 HG3 GLU 11 3HG GLU 11 2.331 15.816 -8.787 86 H ALA 12 H ALA 12 6.391 16.835 -5.707 87 HA ALA 12 HA ALA 12 7.034 19.526 -6.163 88 HB1 ALA 12 1HB ALA 12 7.839 17.497 -4.135 89 HB2 ALA 12 2HB ALA 12 8.706 19.032 -4.206 90 HB3 ALA 12 3HB ALA 12 6.964 19.014 -3.927 91 H PHE 13 H PHE 13 9.193 16.685 -6.104 92 HA PHE 13 HA PHE 13 11.502 18.044 -6.929 93 HB2 PHE 13 2HB PHE 13 11.667 15.855 -5.924 94 HB3 PHE 13 3HB PHE 13 10.723 15.138 -7.226 95 HD1 PHE 13 HD1 PHE 13 11.912 13.910 -8.741 96 HD2 PHE 13 HD2 PHE 13 13.781 17.258 -6.894 97 HE1 PHE 13 HE1 PHE 13 13.983 13.433 -9.981 98 HE2 PHE 13 HE2 PHE 13 15.855 16.787 -8.131 99 HZ PHE 13 HZ PHE 13 15.958 14.873 -9.678 100 H ASN 14 H ASN 14 8.833 16.689 -8.727 101 HA ASN 14 HA ASN 14 10.054 16.662 -11.278 102 HB2 ASN 14 2HB ASN 14 7.365 16.306 -10.181 103 HB3 ASN 14 3HB ASN 14 7.365 17.072 -11.767 104 HD21 ASN 14 1HD2 ASN 14 7.915 15.903 -13.544 105 HD22 ASN 14 2HD2 ASN 14 8.225 14.204 -13.514 106 H LEU 15 H LEU 15 7.962 19.050 -9.675 107 HA LEU 15 HA LEU 15 7.945 20.916 -11.782 108 HB2 LEU 15 2HB LEU 15 6.681 20.695 -9.387 109 HB3 LEU 15 3HB LEU 15 7.812 22.006 -9.057 110 HG LEU 15 HG LEU 15 5.663 22.897 -9.719 111 HD11 LEU 15 1HD1 LEU 15 7.784 23.216 -11.836 112 HD12 LEU 15 2HD1 LEU 15 7.593 24.180 -10.372 113 HD13 LEU 15 3HD1 LEU 15 6.380 24.266 -11.649 114 HD21 LEU 15 1HD2 LEU 15 5.121 20.811 -11.116 115 HD22 LEU 15 2HD2 LEU 15 5.977 21.633 -12.421 116 HD23 LEU 15 3HD2 LEU 15 4.548 22.374 -11.698 117 H PHE 16 H PHE 16 9.939 20.750 -8.840 118 HA PHE 16 HA PHE 16 11.461 23.039 -9.266 119 HB2 PHE 16 2HB PHE 16 11.951 20.476 -7.791 120 HB3 PHE 16 3HB PHE 16 13.251 21.653 -7.948 121 HD1 PHE 16 HD1 PHE 16 13.543 22.886 -6.045 122 HD2 PHE 16 HD2 PHE 16 9.590 21.852 -7.236 123 HE1 PHE 16 HE1 PHE 16 12.642 24.137 -4.128 124 HE2 PHE 16 HE2 PHE 16 8.682 23.102 -5.322 125 HZ PHE 16 HZ PHE 16 10.208 24.248 -3.765 126 H ASP 17 H ASP 17 12.045 19.710 -10.341 127 HA ASP 17 HA ASP 17 14.508 20.305 -11.641 128 HB2 ASP 17 2HB ASP 17 13.651 18.019 -10.832 129 HB3 ASP 17 3HB ASP 17 12.720 17.980 -12.328 130 H ALA 18 H ALA 18 11.172 20.516 -12.550 131 HA ALA 18 HA ALA 18 11.315 20.382 -15.319 132 HB1 ALA 18 1HB ALA 18 9.513 22.462 -14.331 133 HB2 ALA 18 2HB ALA 18 9.164 21.000 -15.254 134 HB3 ALA 18 3HB ALA 18 9.346 20.914 -13.502 135 H ASP 19 H ASP 19 12.396 22.866 -13.154 136 HA ASP 19 HA ASP 19 12.427 25.111 -14.762 137 HB2 ASP 19 2HB ASP 19 13.218 24.724 -12.286 138 HB3 ASP 19 3HB ASP 19 14.798 24.514 -13.035 139 H GLY 20 H GLY 20 14.520 22.306 -14.837 140 HA2 GLY 20 2HA GLY 20 15.780 21.585 -16.668 141 HA3 GLY 20 3HA GLY 20 15.539 23.153 -17.423 142 H SER 21 H SER 21 16.681 22.885 -14.143 143 HA SER 21 HA SER 21 19.316 23.842 -15.049 144 HB2 SER 21 2HB SER 21 17.509 24.715 -12.904 145 HB3 SER 21 3HB SER 21 19.183 24.516 -12.389 146 HG SER 21 HG SER 21 18.650 26.630 -13.246 147 H GLY 22 H GLY 22 21.183 23.158 -13.853 148 HA2 GLY 22 2HA GLY 22 21.196 20.386 -13.294 149 HA3 GLY 22 3HA GLY 22 22.518 21.502 -12.986 150 H ALA 23 H ALA 23 20.581 23.135 -11.300 151 HA ALA 23 HA ALA 23 20.048 21.404 -9.045 152 HB1 ALA 23 1HB ALA 23 21.951 21.751 -7.959 153 HB2 ALA 23 2HB ALA 23 22.513 22.858 -9.213 154 HB3 ALA 23 3HB ALA 23 21.546 23.465 -7.869 155 H ILE 24 H ILE 24 19.119 22.676 -7.188 156 HA ILE 24 HA ILE 24 17.632 25.006 -8.213 157 HB ILE 24 HB ILE 24 16.668 23.027 -6.147 158 HG12 ILE 24 2HG1 ILE 24 14.967 22.682 -8.183 159 HG13 ILE 24 3HG1 ILE 24 16.392 23.144 -9.108 160 HG21 ILE 24 1HG2 ILE 24 15.863 25.645 -6.688 161 HG22 ILE 24 2HG2 ILE 24 14.646 24.615 -7.441 162 HG23 ILE 24 3HG2 ILE 24 15.007 24.442 -5.724 163 HD11 ILE 24 1HD1 ILE 24 17.545 21.255 -8.530 164 HD12 ILE 24 2HD1 ILE 24 16.639 21.027 -7.033 165 HD13 ILE 24 3HD1 ILE 24 15.893 20.641 -8.584 166 H ASP 25 H ASP 25 17.867 26.853 -7.137 167 HA ASP 25 HA ASP 25 19.352 26.826 -4.621 168 HB2 ASP 25 2HB ASP 25 18.616 29.106 -6.468 169 HB3 ASP 25 3HB ASP 25 19.570 29.272 -4.997 170 H ALA 26 H ALA 26 18.622 28.936 -3.250 171 HA ALA 26 HA ALA 26 16.143 28.203 -2.087 172 HB1 ALA 26 1HB ALA 26 18.238 30.203 -1.577 173 HB2 ALA 26 2HB ALA 26 16.622 30.640 -1.019 174 HB3 ALA 26 3HB ALA 26 17.374 29.147 -0.458 175 H GLU 27 H GLU 27 17.129 30.821 -4.243 176 HA GLU 27 HA GLU 27 14.783 32.338 -4.161 177 HB2 GLU 27 2HB GLU 27 15.495 33.194 -6.383 178 HB3 GLU 27 3HB GLU 27 16.777 33.224 -5.181 179 HG2 GLU 27 2HG GLU 27 17.599 31.061 -6.144 180 HG3 GLU 27 3HG GLU 27 16.433 31.281 -7.447 181 H GLU 28 H GLU 28 15.671 29.568 -6.172 182 HA GLU 28 HA GLU 28 13.379 29.621 -7.824 183 HB2 GLU 28 2HB GLU 28 15.666 27.898 -7.409 184 HB3 GLU 28 3HB GLU 28 14.203 26.951 -7.640 185 HG2 GLU 28 2HG GLU 28 15.302 27.302 -9.752 186 HG3 GLU 28 3HG GLU 28 13.764 28.162 -9.727 187 H MET 29 H MET 29 14.151 27.725 -4.915 188 HA MET 29 HA MET 29 11.810 26.244 -4.752 189 HB2 MET 29 2HB MET 29 13.667 25.723 -3.324 190 HB3 MET 29 3HB MET 29 13.601 27.310 -2.568 191 HG2 MET 29 2HG MET 29 11.766 26.781 -1.294 192 HG3 MET 29 3HG MET 29 11.230 25.517 -2.398 193 HE1 MET 29 1HE MET 29 11.896 25.826 0.967 194 HE2 MET 29 2HE MET 29 10.879 24.522 0.356 195 HE3 MET 29 3HE MET 29 12.296 24.149 1.338 196 H ALA 30 H ALA 30 12.526 29.432 -3.355 197 HA ALA 30 HA ALA 30 10.036 29.803 -2.097 198 HB1 ALA 30 1HB ALA 30 11.277 32.261 -3.050 199 HB2 ALA 30 2HB ALA 30 10.926 31.731 -1.405 200 HB3 ALA 30 3HB ALA 30 12.401 31.194 -2.208 201 H LEU 31 H LEU 31 11.209 30.733 -5.311 202 HA LEU 31 HA LEU 31 9.031 32.229 -6.163 203 HB2 LEU 31 2HB LEU 31 11.366 31.478 -7.273 204 HB3 LEU 31 3HB LEU 31 10.257 30.433 -8.158 205 HG LEU 31 HG LEU 31 10.635 32.394 -9.463 206 HD11 LEU 31 1HD1 LEU 31 8.280 31.459 -9.195 207 HD12 LEU 31 2HD1 LEU 31 8.432 33.084 -9.863 208 HD13 LEU 31 3HD1 LEU 31 7.964 32.864 -8.177 209 HD21 LEU 31 1HD2 LEU 31 11.423 34.072 -8.121 210 HD22 LEU 31 2HD2 LEU 31 10.214 33.792 -6.868 211 HD23 LEU 31 3HD2 LEU 31 9.763 34.619 -8.360 212 H ALA 32 H ALA 32 9.580 28.730 -6.452 213 HA ALA 32 HA ALA 32 7.169 28.144 -7.789 214 HB1 ALA 32 1HB ALA 32 8.656 26.416 -7.964 215 HB2 ALA 32 2HB ALA 32 9.188 26.556 -6.288 216 HB3 ALA 32 3HB ALA 32 7.634 25.810 -6.660 217 H MET 33 H MET 33 8.034 27.964 -4.340 218 HA MET 33 HA MET 33 5.658 26.987 -3.330 219 HB2 MET 33 2HB MET 33 7.730 28.842 -2.202 220 HB3 MET 33 3HB MET 33 6.290 28.448 -1.273 221 HG2 MET 33 2HG MET 33 7.005 25.982 -1.877 222 HG3 MET 33 3HG MET 33 8.590 26.737 -2.030 223 HE1 MET 33 1HE MET 33 9.797 27.771 1.064 224 HE2 MET 33 2HE MET 33 9.312 28.474 -0.479 225 HE3 MET 33 3HE MET 33 8.457 28.917 1.000 226 H LYS 34 H LYS 34 6.511 30.313 -4.160 227 HA LYS 34 HA LYS 34 4.117 31.480 -3.166 228 HB2 LYS 34 2HB LYS 34 6.181 32.773 -3.539 229 HB3 LYS 34 3HB LYS 34 6.030 32.509 -5.271 230 HG2 LYS 34 2HG LYS 34 3.636 33.602 -4.791 231 HG3 LYS 34 3HG LYS 34 4.569 34.359 -3.497 232 HD2 LYS 34 2HD LYS 34 5.352 34.364 -6.411 233 HD3 LYS 34 3HD LYS 34 4.524 35.690 -5.591 234 HE2 LYS 34 2HE LYS 34 6.513 35.552 -3.926 235 HE3 LYS 34 3HE LYS 34 7.321 34.686 -5.232 236 HZ1 LYS 34 1HZ LYS 34 7.889 36.716 -5.924 237 HZ2 LYS 34 2HZ LYS 34 6.711 37.490 -4.989 238 HZ3 LYS 34 3HZ LYS 34 6.301 36.839 -6.495 239 H GLY 35 H GLY 35 5.182 30.600 -6.452 240 HA2 GLY 35 2HA GLY 35 2.930 31.402 -7.857 241 HA3 GLY 35 3HA GLY 35 3.973 30.069 -8.330 242 H LEU 36 H LEU 36 3.438 28.473 -5.977 243 HA LEU 36 HA LEU 36 0.998 27.243 -6.880 244 HB2 LEU 36 2HB LEU 36 2.841 26.553 -4.597 245 HB3 LEU 36 3HB LEU 36 1.488 25.562 -5.139 246 HG LEU 36 HG LEU 36 3.530 26.233 -7.173 247 HD11 LEU 36 1HD1 LEU 36 4.755 25.708 -4.995 248 HD12 LEU 36 2HD1 LEU 36 5.169 24.749 -6.415 249 HD13 LEU 36 3HD1 LEU 36 4.115 24.074 -5.174 250 HD21 LEU 36 1HD2 LEU 36 1.703 23.984 -6.475 251 HD22 LEU 36 2HD2 LEU 36 3.129 23.658 -7.460 252 HD23 LEU 36 3HD2 LEU 36 1.924 24.824 -8.010 253 H GLY 37 H GLY 37 1.958 29.368 -4.317 254 HA2 GLY 37 2HA GLY 37 0.715 30.493 -2.746 255 HA3 GLY 37 3HA GLY 37 -0.718 29.966 -3.615 256 H PHE 38 H PHE 38 1.459 27.537 -2.515 257 HA PHE 38 HA PHE 38 -0.165 27.050 -0.123 258 HB2 PHE 38 2HB PHE 38 -0.211 25.479 -2.533 259 HB3 PHE 38 3HB PHE 38 0.428 24.513 -1.207 260 HD1 PHE 38 HD1 PHE 38 -0.953 23.875 0.646 261 HD2 PHE 38 HD2 PHE 38 -2.482 26.357 -2.455 262 HE1 PHE 38 HE1 PHE 38 -3.240 23.486 1.467 263 HE2 PHE 38 HE2 PHE 38 -4.771 25.973 -1.639 264 HZ PHE 38 HZ PHE 38 -5.152 24.537 0.325 265 H GLY 39 H GLY 39 0.870 25.855 1.519 266 HA2 GLY 39 2HA GLY 39 2.650 25.092 2.759 267 HA3 GLY 39 3HA GLY 39 3.463 24.738 1.242 268 H ASP 40 H ASP 40 2.345 27.825 2.600 269 HA ASP 40 HA ASP 40 4.889 29.039 1.964 270 HB2 ASP 40 2HB ASP 40 2.995 30.407 1.540 271 HB3 ASP 40 3HB ASP 40 2.319 30.095 3.136 272 H LEU 41 H LEU 41 6.530 28.541 3.286 273 HA LEU 41 HA LEU 41 6.053 28.513 6.184 274 HB2 LEU 41 2HB LEU 41 8.092 27.253 4.405 275 HB3 LEU 41 3HB LEU 41 8.487 27.559 6.095 276 HG LEU 41 HG LEU 41 7.745 25.254 5.717 277 HD11 LEU 41 1HD1 LEU 41 6.073 25.164 7.490 278 HD12 LEU 41 2HD1 LEU 41 5.796 26.898 7.326 279 HD13 LEU 41 3HD1 LEU 41 7.360 26.304 7.885 280 HD21 LEU 41 1HD2 LEU 41 6.029 26.235 3.901 281 HD22 LEU 41 2HD2 LEU 41 4.941 26.065 5.279 282 HD23 LEU 41 3HD2 LEU 41 5.828 24.664 4.677 283 HA PRO 42 HA PRO 42 8.327 32.196 6.905 284 HB2 PRO 42 2HB PRO 42 9.670 31.603 9.189 285 HB3 PRO 42 3HB PRO 42 7.926 31.887 9.146 286 HG2 PRO 42 2HG PRO 42 9.422 29.295 9.191 287 HG3 PRO 42 3HG PRO 42 7.967 29.762 10.091 288 HD2 PRO 42 2HD PRO 42 7.871 28.235 7.857 289 HD3 PRO 42 3HD PRO 42 6.578 29.371 8.294 290 H ARG 43 H ARG 43 10.525 33.103 7.217 291 HA ARG 43 HA ARG 43 12.348 32.060 5.367 292 HB2 ARG 43 2HB ARG 43 13.916 33.744 6.230 293 HB3 ARG 43 3HB ARG 43 12.313 34.421 5.975 294 HG2 ARG 43 2HG ARG 43 12.637 35.292 8.015 295 HG3 ARG 43 3HG ARG 43 12.124 33.695 8.564 296 HD2 ARG 43 2HD ARG 43 14.599 33.060 8.433 297 HD3 ARG 43 3HD ARG 43 14.908 34.792 8.323 298 HE ARG 43 HE ARG 43 13.235 34.178 10.537 299 HH11 ARG 43 1HH1 ARG 43 16.541 34.097 9.447 300 HH12 ARG 43 2HH1 ARG 43 17.206 34.216 11.043 301 HH21 ARG 43 1HH2 ARG 43 14.099 34.334 12.642 302 HH22 ARG 43 2HH2 ARG 43 15.817 34.350 12.859 303 H ASP 44 H ASP 44 12.176 31.763 8.877 304 HA ASP 44 HA ASP 44 14.663 30.607 9.360 305 HB2 ASP 44 2HB ASP 44 13.754 29.824 11.438 306 HB3 ASP 44 3HB ASP 44 13.023 31.389 11.094 307 H GLU 45 H GLU 45 11.639 29.149 8.283 308 HA GLU 45 HA GLU 45 12.510 26.455 8.499 309 HB2 GLU 45 2HB GLU 45 10.102 27.526 8.184 310 HB3 GLU 45 3HB GLU 45 10.455 27.238 6.486 311 HG2 GLU 45 2HG GLU 45 10.969 24.976 8.295 312 HG3 GLU 45 3HG GLU 45 9.280 25.446 8.109 313 H VAL 46 H VAL 46 12.753 28.900 6.012 314 HA VAL 46 HA VAL 46 13.492 27.168 3.885 315 HB VAL 46 HB VAL 46 14.081 30.111 4.235 316 HG11 VAL 46 1HG1 VAL 46 14.634 28.180 2.077 317 HG12 VAL 46 2HG1 VAL 46 13.953 29.728 1.574 318 HG13 VAL 46 3HG1 VAL 46 15.456 29.683 2.496 319 HG21 VAL 46 1HG2 VAL 46 11.829 28.729 2.779 320 HG22 VAL 46 2HG2 VAL 46 11.687 29.599 4.306 321 HG23 VAL 46 3HG2 VAL 46 12.117 30.468 2.833 322 H GLU 47 H GLU 47 15.437 29.362 5.921 323 HA GLU 47 HA GLU 47 17.933 28.537 4.925 324 HB2 GLU 47 2HB GLU 47 18.862 29.585 6.974 325 HB3 GLU 47 3HB GLU 47 17.718 30.619 6.128 326 HG2 GLU 47 2HG GLU 47 16.972 30.923 8.240 327 HG3 GLU 47 3HG GLU 47 16.020 29.500 7.821 328 H ARG 48 H ARG 48 15.992 27.401 7.647 329 HA ARG 48 HA ARG 48 17.900 25.663 8.764 330 HB2 ARG 48 2HB ARG 48 15.871 26.357 9.954 331 HB3 ARG 48 3HB ARG 48 14.883 25.466 8.804 332 HG2 ARG 48 2HG ARG 48 15.498 23.416 9.655 333 HG3 ARG 48 3HG ARG 48 16.997 24.038 10.350 334 HD2 ARG 48 2HD ARG 48 14.692 25.355 11.485 335 HD3 ARG 48 3HD ARG 48 14.575 23.605 11.665 336 HE ARG 48 HE ARG 48 17.151 24.391 12.411 337 HH11 ARG 48 1HH1 ARG 48 13.859 24.749 13.487 338 HH12 ARG 48 2HH1 ARG 48 14.285 24.900 15.160 339 HH21 ARG 48 1HH2 ARG 48 17.724 24.588 14.610 340 HH22 ARG 48 2HH2 ARG 48 16.483 24.809 15.798 341 H THR 49 H THR 49 15.284 25.057 6.433 342 HA THR 49 HA THR 49 15.729 22.310 6.108 343 HB THR 49 HB THR 49 14.627 22.653 3.837 344 HG1 THR 49 HG1 THR 49 14.312 24.640 3.173 345 HG21 THR 49 1HG2 THR 49 12.970 22.052 5.235 346 HG22 THR 49 2HG2 THR 49 12.528 23.759 5.191 347 HG23 THR 49 3HG2 THR 49 13.522 23.138 6.509 348 H VAL 50 H VAL 50 17.045 25.093 4.348 349 HA VAL 50 HA VAL 50 18.473 23.641 2.409 350 HB VAL 50 HB VAL 50 19.098 26.366 3.555 351 HG11 VAL 50 1HG1 VAL 50 19.965 26.339 0.955 352 HG12 VAL 50 2HG1 VAL 50 20.990 26.152 2.380 353 HG13 VAL 50 3HG1 VAL 50 20.401 24.727 1.522 354 HG21 VAL 50 1HG2 VAL 50 16.889 25.527 2.079 355 HG22 VAL 50 2HG2 VAL 50 17.418 27.188 2.348 356 HG23 VAL 50 3HG2 VAL 50 17.947 26.317 0.909 357 H ARG 51 H ARG 51 19.358 24.760 5.640 358 HA ARG 51 HA ARG 51 22.090 24.059 5.503 359 HB2 ARG 51 2HB ARG 51 20.927 25.563 7.212 360 HB3 ARG 51 3HB ARG 51 20.441 24.081 8.024 361 HG2 ARG 51 2HG ARG 51 23.266 24.064 7.454 362 HG3 ARG 51 3HG ARG 51 22.806 25.496 8.377 363 HD2 ARG 51 2HD ARG 51 22.002 22.693 9.129 364 HD3 ARG 51 3HD ARG 51 23.444 23.494 9.752 365 HE ARG 51 HE ARG 51 21.081 25.049 10.147 366 HH11 ARG 51 1HH1 ARG 51 22.942 22.388 11.402 367 HH12 ARG 51 2HH1 ARG 51 22.358 22.573 13.023 368 HH21 ARG 51 1HH2 ARG 51 20.304 25.303 12.277 369 HH22 ARG 51 2HH2 ARG 51 20.857 24.231 13.519 370 H SER 52 H SER 52 19.224 22.305 6.610 371 HA SER 52 HA SER 52 20.587 20.037 7.595 372 HB2 SER 52 2HB SER 52 17.813 19.897 6.442 373 HB3 SER 52 3HB SER 52 18.478 19.045 7.836 374 HG SER 52 HG SER 52 17.056 21.181 7.934 375 H MET 53 H MET 53 18.908 20.584 4.499 376 HA MET 53 HA MET 53 19.627 18.100 3.365 377 HB2 MET 53 2HB MET 53 18.876 20.698 2.013 378 HB3 MET 53 3HB MET 53 18.964 19.134 1.214 379 HG2 MET 53 2HG MET 53 17.213 18.309 2.772 380 HG3 MET 53 3HG MET 53 17.066 19.949 3.399 381 HE1 MET 53 1HE MET 53 15.860 21.678 2.583 382 HE2 MET 53 2HE MET 53 16.675 22.077 1.071 383 HE3 MET 53 3HE MET 53 14.934 21.796 1.086 384 H ASN 54 H ASN 54 20.852 21.350 2.533 385 HA ASN 54 HA ASN 54 23.173 20.204 1.255 386 HB2 ASN 54 2HB ASN 54 22.111 22.188 0.291 387 HB3 ASN 54 3HB ASN 54 22.423 23.090 1.771 388 HD21 ASN 54 1HD2 ASN 54 24.412 20.904 -0.188 389 HD22 ASN 54 2HD2 ASN 54 25.701 22.027 -0.439 390 H THR 55 H THR 55 24.345 19.198 2.877 391 HA THR 55 HA THR 55 24.987 20.316 5.370 392 HB THR 55 HB THR 55 25.256 17.934 4.956 393 HG1 THR 55 HG1 THR 55 27.566 17.828 5.704 394 HG21 THR 55 1HG2 THR 55 26.848 17.005 3.490 395 HG22 THR 55 2HG2 THR 55 27.677 18.547 3.280 396 HG23 THR 55 3HG2 THR 55 26.084 18.298 2.567 397 H ASN 56 H ASN 56 26.559 20.539 2.230 398 HA ASN 56 HA ASN 56 28.617 22.281 3.401 399 HB2 ASN 56 2HB ASN 56 28.532 20.693 0.837 400 HB3 ASN 56 3HB ASN 56 29.742 21.938 1.132 401 HD21 ASN 56 1HD2 ASN 56 30.318 19.233 0.678 402 HD22 ASN 56 2HD2 ASN 56 31.033 18.585 2.111 403 H ALA 57 H ALA 57 27.929 24.331 3.391 404 HA ALA 57 HA ALA 57 26.080 25.412 1.550 405 HB1 ALA 57 1HB ALA 57 28.001 27.158 3.020 406 HB2 ALA 57 2HB ALA 57 26.279 27.388 2.711 407 HB3 ALA 57 3HB ALA 57 26.809 26.222 3.924 408 H ASN 58 H ASN 58 26.787 25.024 -0.550 409 HA ASN 58 HA ASN 58 29.095 26.649 -1.394 410 HB2 ASN 58 2HB ASN 58 28.796 23.852 -1.627 411 HB3 ASN 58 3HB ASN 58 28.574 24.508 -3.246 412 HD21 ASN 58 1HD2 ASN 58 30.241 26.246 -3.809 413 HD22 ASN 58 2HD2 ASN 58 31.880 25.867 -3.412 414 H GLY 59 H GLY 59 25.965 26.804 -1.347 415 HA2 GLY 59 2HA GLY 59 24.484 28.055 -2.602 416 HA3 GLY 59 3HA GLY 59 25.777 28.347 -3.756 417 H LEU 60 H LEU 60 25.114 25.072 -2.943 418 HA LEU 60 HA LEU 60 23.367 24.720 -5.260 419 HB2 LEU 60 2HB LEU 60 26.007 24.356 -5.590 420 HB3 LEU 60 3HB LEU 60 25.560 22.755 -5.002 421 HG LEU 60 HG LEU 60 23.749 22.904 -6.894 422 HD11 LEU 60 1HD1 LEU 60 24.416 25.302 -7.375 423 HD12 LEU 60 2HD1 LEU 60 24.310 24.219 -8.763 424 HD13 LEU 60 3HD1 LEU 60 25.886 24.643 -8.094 425 HD21 LEU 60 1HD2 LEU 60 26.456 21.932 -6.746 426 HD22 LEU 60 2HD2 LEU 60 26.034 22.361 -8.404 427 HD23 LEU 60 3HD2 LEU 60 25.042 21.207 -7.512 428 H ILE 61 H ILE 61 22.064 22.890 -5.181 429 HA ILE 61 HA ILE 61 22.151 21.398 -2.639 430 HB ILE 61 HB ILE 61 19.697 22.120 -4.245 431 HG12 ILE 61 2HG1 ILE 61 20.628 23.138 -1.552 432 HG13 ILE 61 3HG1 ILE 61 20.712 24.043 -3.060 433 HG21 ILE 61 1HG2 ILE 61 19.427 19.988 -3.149 434 HG22 ILE 61 2HG2 ILE 61 20.006 20.660 -1.626 435 HG23 ILE 61 3HG2 ILE 61 18.471 21.204 -2.303 436 HD11 ILE 61 1HD1 ILE 61 18.730 24.868 -2.509 437 HD12 ILE 61 2HD1 ILE 61 18.068 23.281 -2.903 438 HD13 ILE 61 3HD1 ILE 61 18.498 23.668 -1.238 439 H GLU 62 H GLU 62 22.194 19.235 -2.745 440 HA GLU 62 HA GLU 62 22.321 17.992 -5.362 441 HB2 GLU 62 2HB GLU 62 23.063 17.213 -2.588 442 HB3 GLU 62 3HB GLU 62 22.685 15.920 -3.717 443 HG2 GLU 62 2HG GLU 62 24.481 17.895 -4.854 444 HG3 GLU 62 3HG GLU 62 25.126 17.148 -3.394 445 H TYR 63 H TYR 63 20.922 16.480 -6.166 446 HA TYR 63 HA TYR 63 18.231 16.586 -5.291 447 HB2 TYR 63 2HB TYR 63 17.794 14.947 -7.050 448 HB3 TYR 63 3HB TYR 63 18.856 16.218 -7.644 449 HD1 TYR 63 HD1 TYR 63 18.593 12.676 -6.776 450 HD2 TYR 63 HD2 TYR 63 21.196 15.750 -8.148 451 HE1 TYR 63 HE1 TYR 63 20.216 10.973 -7.494 452 HE2 TYR 63 HE2 TYR 63 22.825 14.055 -8.871 453 HH TYR 63 HH TYR 63 22.624 11.494 -9.583 454 H GLY 64 H GLY 64 20.829 14.248 -4.859 455 HA2 GLY 64 2HA GLY 64 19.297 12.134 -3.809 456 HA3 GLY 64 3HA GLY 64 21.010 12.396 -3.515 457 H GLU 65 H GLU 65 21.143 14.656 -2.092 458 HA GLU 65 HA GLU 65 20.296 13.836 0.483 459 HB2 GLU 65 2HB GLU 65 21.394 16.485 -0.472 460 HB3 GLU 65 3HB GLU 65 21.169 16.050 1.216 461 HG2 GLU 65 2HG GLU 65 23.081 14.865 -0.767 462 HG3 GLU 65 3HG GLU 65 23.444 15.700 0.743 463 H PHE 66 H PHE 66 18.978 16.016 -1.906 464 HA PHE 66 HA PHE 66 17.181 17.422 -0.262 465 HB2 PHE 66 2HB PHE 66 17.792 18.078 -2.585 466 HB3 PHE 66 3HB PHE 66 16.841 16.724 -3.186 467 HD1 PHE 66 HD1 PHE 66 14.370 16.694 -2.768 468 HD2 PHE 66 HD2 PHE 66 16.783 20.120 -2.020 469 HE1 PHE 66 HE1 PHE 66 12.357 18.110 -2.776 470 HE2 PHE 66 HE2 PHE 66 14.774 21.540 -2.025 471 HZ PHE 66 HZ PHE 66 12.558 20.536 -2.403 472 H GLU 67 H GLU 67 16.542 14.665 -2.438 473 HA GLU 67 HA GLU 67 13.905 14.240 -1.532 474 HB2 GLU 67 2HB GLU 67 14.037 12.103 -2.709 475 HB3 GLU 67 3HB GLU 67 14.714 13.398 -3.686 476 HG2 GLU 67 2HG GLU 67 16.981 12.667 -2.780 477 HG3 GLU 67 3HG GLU 67 16.154 11.211 -2.229 478 H ARG 68 H ARG 68 17.013 12.910 -0.536 479 HA ARG 68 HA ARG 68 16.099 10.857 1.123 480 HB2 ARG 68 2HB ARG 68 18.442 11.072 0.484 481 HB3 ARG 68 3HB ARG 68 18.573 12.573 1.392 482 HG2 ARG 68 2HG ARG 68 18.518 11.493 3.438 483 HG3 ARG 68 3HG ARG 68 17.764 10.046 2.765 484 HD2 ARG 68 2HD ARG 68 20.087 10.113 1.372 485 HD3 ARG 68 3HD ARG 68 20.598 10.820 2.904 486 HE ARG 68 HE ARG 68 19.936 8.088 2.411 487 HH11 ARG 68 1HH1 ARG 68 19.914 10.592 4.829 488 HH12 ARG 68 2HH1 ARG 68 19.988 9.487 6.162 489 HH21 ARG 68 1HH2 ARG 68 20.032 6.623 4.157 490 HH22 ARG 68 2HH2 ARG 68 20.056 7.229 5.778 491 H MET 69 H MET 69 16.723 14.274 1.834 492 HA MET 69 HA MET 69 16.112 14.086 4.601 493 HB2 MET 69 2HB MET 69 17.468 15.909 3.626 494 HB3 MET 69 3HB MET 69 16.039 16.511 2.796 495 HG2 MET 69 2HG MET 69 16.424 17.834 4.751 496 HG3 MET 69 3HG MET 69 14.964 16.876 4.985 497 HE1 MET 69 1HE MET 69 18.824 15.933 5.326 498 HE2 MET 69 2HE MET 69 18.619 17.546 6.009 499 HE3 MET 69 3HE MET 69 19.017 16.186 7.061 500 H VAL 70 H VAL 70 14.250 15.260 1.804 501 HA VAL 70 HA VAL 70 11.924 16.014 3.085 502 HB VAL 70 HB VAL 70 12.145 14.670 0.387 503 HG11 VAL 70 1HG1 VAL 70 9.942 16.300 1.638 504 HG12 VAL 70 2HG1 VAL 70 10.037 15.933 -0.085 505 HG13 VAL 70 3HG1 VAL 70 9.863 14.627 1.087 506 HG21 VAL 70 1HG2 VAL 70 11.746 17.540 0.410 507 HG22 VAL 70 2HG2 VAL 70 13.239 17.075 1.228 508 HG23 VAL 70 3HG2 VAL 70 12.955 16.576 -0.440 509 H LYS 71 H LYS 71 12.887 12.789 1.985 510 HA LYS 71 HA LYS 71 10.455 11.506 2.682 511 HB2 LYS 71 2HB LYS 71 11.973 10.490 1.089 512 HB3 LYS 71 3HB LYS 71 13.244 10.403 2.301 513 HG2 LYS 71 2HG LYS 71 10.742 9.058 3.037 514 HG3 LYS 71 3HG LYS 71 11.593 8.362 1.656 515 HD2 LYS 71 2HD LYS 71 12.892 8.964 4.310 516 HD3 LYS 71 3HD LYS 71 12.230 7.387 3.870 517 HE2 LYS 71 2HE LYS 71 13.758 7.632 1.779 518 HE3 LYS 71 3HE LYS 71 14.606 8.826 2.759 519 HZ1 LYS 71 1HZ LYS 71 14.128 6.466 4.253 520 HZ2 LYS 71 2HZ LYS 71 15.598 7.218 3.889 521 HZ3 LYS 71 3HZ LYS 71 14.937 6.089 2.816 522 H SER 72 H SER 72 13.325 12.354 4.459 523 HA SER 72 HA SER 72 12.906 10.609 6.665 524 HB2 SER 72 2HB SER 72 14.722 12.825 5.990 525 HB3 SER 72 3HB SER 72 14.360 12.680 7.710 526 HG SER 72 HG SER 72 16.190 11.414 6.919 527 H ARG 73 H ARG 73 12.283 14.085 6.204 528 HA ARG 73 HA ARG 73 11.014 14.446 8.709 529 HB2 ARG 73 2HB ARG 73 10.201 16.584 7.720 530 HB3 ARG 73 3HB ARG 73 11.936 16.348 7.561 531 HG2 ARG 73 2HG ARG 73 11.689 15.728 5.249 532 HG3 ARG 73 3HG ARG 73 9.931 15.794 5.386 533 HD2 ARG 73 2HD ARG 73 10.266 17.864 4.522 534 HD3 ARG 73 3HD ARG 73 10.500 18.259 6.224 535 HE ARG 73 HE ARG 73 12.990 17.627 5.428 536 HH11 ARG 73 1HH1 ARG 73 10.565 19.746 4.103 537 HH12 ARG 73 2HH1 ARG 73 11.715 20.842 3.412 538 HH21 ARG 73 1HH2 ARG 73 14.513 19.064 4.523 539 HH22 ARG 73 2HH2 ARG 73 13.960 20.453 3.651 540 H MET 74 H MET 74 9.846 13.586 5.509 541 HA MET 74 HA MET 74 7.079 13.882 6.109 542 HB2 MET 74 2HB MET 74 8.611 12.504 3.922 543 HB3 MET 74 3HB MET 74 6.865 12.331 4.047 544 HG2 MET 74 2HG MET 74 8.073 15.054 4.043 545 HG3 MET 74 3HG MET 74 7.912 14.168 2.529 546 HE1 MET 74 1HE MET 74 4.758 16.174 5.053 547 HE2 MET 74 2HE MET 74 6.465 15.907 5.408 548 HE3 MET 74 3HE MET 74 5.994 17.042 4.142 549 H ALA 75 H ALA 75 9.371 11.221 6.302 550 HA ALA 75 HA ALA 75 7.662 9.075 6.651 551 HB1 ALA 75 1HB ALA 75 10.374 9.634 7.826 552 HB2 ALA 75 2HB ALA 75 9.533 8.098 8.045 553 HB3 ALA 75 3HB ALA 75 9.973 8.640 6.425 554 H GLN 76 H GLN 76 8.489 11.632 8.875 555 HA GLN 76 HA GLN 76 7.569 10.382 11.246 556 HB2 GLN 76 2HB GLN 76 9.044 12.282 11.392 557 HB3 GLN 76 3HB GLN 76 7.901 13.294 10.519 558 HG2 GLN 76 2HG GLN 76 8.031 13.609 13.024 559 HG3 GLN 76 3HG GLN 76 6.425 13.388 12.332 560 HE21 GLN 76 1HE2 GLN 76 9.014 11.150 13.268 561 HE22 GLN 76 2HE2 GLN 76 8.035 10.183 14.311 562 H LYS 77 H LYS 77 6.028 12.553 8.909 563 HA LYS 77 HA LYS 77 3.536 12.630 10.318 564 HB2 LYS 77 2HB LYS 77 4.657 13.778 7.862 565 HB3 LYS 77 3HB LYS 77 2.947 13.384 7.742 566 HG2 LYS 77 2HG LYS 77 3.133 15.648 8.443 567 HG3 LYS 77 3HG LYS 77 2.568 14.702 9.822 568 HD2 LYS 77 2HD LYS 77 4.239 15.597 10.994 569 HD3 LYS 77 3HD LYS 77 5.345 14.636 10.009 570 HE2 LYS 77 2HE LYS 77 6.007 16.974 10.002 571 HE3 LYS 77 3HE LYS 77 5.488 16.474 8.393 572 HZ1 LYS 77 1HZ LYS 77 4.626 18.670 9.108 573 HZ2 LYS 77 2HZ LYS 77 3.740 17.897 10.323 574 HZ3 LYS 77 3HZ LYS 77 3.411 17.568 8.697 575 H ASP 78 H ASP 78 1.602 11.608 9.796 576 HA ASP 78 HA ASP 78 1.733 9.444 7.816 577 HB2 ASP 78 2HB ASP 78 1.708 9.084 10.635 578 HB3 ASP 78 3HB ASP 78 0.136 8.579 10.023 579 H SER 79 H SER 79 -0.608 8.417 7.696 580 HA SER 79 HA SER 79 -2.291 10.417 6.653 581 HB2 SER 79 2HB SER 79 -2.392 7.500 7.002 582 HB3 SER 79 3HB SER 79 -3.973 8.281 7.030 583 HG SER 79 HG SER 79 -2.030 8.294 4.980 584 HA PRO 80 HA PRO 80 -4.723 11.802 10.031 585 HB2 PRO 80 2HB PRO 80 -7.201 11.977 8.938 586 HB3 PRO 80 3HB PRO 80 -5.893 13.096 8.536 587 HG2 PRO 80 2HG PRO 80 -6.869 10.701 7.027 588 HG3 PRO 80 3HG PRO 80 -6.414 12.302 6.413 589 HD2 PRO 80 2HD PRO 80 -4.758 10.164 6.274 590 HD3 PRO 80 3HD PRO 80 -4.160 11.824 6.474 591 H GLU 81 H GLU 81 -6.088 9.039 8.278 592 HA GLU 81 HA GLU 81 -7.862 8.245 10.350 593 HB2 GLU 81 2HB GLU 81 -6.885 7.085 7.799 594 HB3 GLU 81 3HB GLU 81 -7.521 5.955 8.986 595 HG2 GLU 81 2HG GLU 81 -9.523 7.625 9.076 596 HG3 GLU 81 3HG GLU 81 -8.915 8.126 7.499 597 H GLU 82 H GLU 82 -4.594 7.249 9.423 598 HA GLU 82 HA GLU 82 -4.297 5.127 11.218 599 HB2 GLU 82 2HB GLU 82 -2.677 6.479 9.364 600 HB3 GLU 82 3HB GLU 82 -1.825 6.581 10.898 601 HG2 GLU 82 2HG GLU 82 -2.921 3.946 10.095 602 HG3 GLU 82 3HG GLU 82 -1.502 4.551 9.242 603 H VAL 83 H VAL 83 -3.473 8.564 11.596 604 HA VAL 83 HA VAL 83 -2.439 8.374 14.203 605 HB VAL 83 HB VAL 83 -3.786 10.740 12.890 606 HG11 VAL 83 1HG1 VAL 83 -3.662 11.015 15.297 607 HG12 VAL 83 2HG1 VAL 83 -1.948 10.599 15.278 608 HG13 VAL 83 3HG1 VAL 83 -2.505 12.082 14.504 609 HG21 VAL 83 1HG2 VAL 83 -1.445 9.434 12.163 610 HG22 VAL 83 2HG2 VAL 83 -1.935 11.060 11.690 611 HG23 VAL 83 3HG2 VAL 83 -0.901 10.826 13.099 612 H LEU 84 H LEU 84 -5.715 8.941 13.007 613 HA LEU 84 HA LEU 84 -6.926 9.565 15.458 614 HB2 LEU 84 2HB LEU 84 -7.869 8.549 12.829 615 HB3 LEU 84 3HB LEU 84 -8.972 8.451 14.200 616 HG LEU 84 HG LEU 84 -7.664 11.033 13.385 617 HD11 LEU 84 1HD1 LEU 84 -10.234 9.828 12.379 618 HD12 LEU 84 2HD1 LEU 84 -8.830 10.317 11.430 619 HD13 LEU 84 3HD1 LEU 84 -9.820 11.537 12.232 620 HD21 LEU 84 1HD2 LEU 84 -8.559 11.220 15.535 621 HD22 LEU 84 2HD2 LEU 84 -9.967 10.236 15.136 622 HD23 LEU 84 3HD2 LEU 84 -9.820 11.870 14.487 623 H LYS 85 H LYS 85 -6.624 6.446 13.774 624 HA LYS 85 HA LYS 85 -7.943 4.900 15.714 625 HB2 LYS 85 2HB LYS 85 -7.540 4.054 13.472 626 HB3 LYS 85 3HB LYS 85 -5.801 4.122 13.727 627 HG2 LYS 85 2HG LYS 85 -7.333 2.503 15.658 628 HG3 LYS 85 3HG LYS 85 -7.257 1.891 14.004 629 HD2 LYS 85 2HD LYS 85 -4.788 2.788 15.456 630 HD3 LYS 85 3HD LYS 85 -5.429 1.155 15.654 631 HE2 LYS 85 2HE LYS 85 -5.329 1.835 12.869 632 HE3 LYS 85 3HE LYS 85 -3.755 2.123 13.610 633 HZ1 LYS 85 1HZ LYS 85 -5.216 -0.403 14.064 634 HZ2 LYS 85 2HZ LYS 85 -3.564 -0.091 14.243 635 HZ3 LYS 85 3HZ LYS 85 -4.242 -0.193 12.697 636 H ALA 86 H ALA 86 -4.530 5.743 15.310 637 HA ALA 86 HA ALA 86 -3.473 4.130 17.336 638 HB1 ALA 86 1HB ALA 86 -1.538 5.064 16.741 639 HB2 ALA 86 2HB ALA 86 -2.463 5.951 15.529 640 HB3 ALA 86 3HB ALA 86 -2.122 6.691 17.093 641 H PHE 87 H PHE 87 -4.625 7.492 17.456 642 HA PHE 87 HA PHE 87 -4.052 7.939 20.170 643 HB2 PHE 87 2HB PHE 87 -4.729 9.613 18.299 644 HB3 PHE 87 3HB PHE 87 -6.379 9.235 18.783 645 HD1 PHE 87 HD1 PHE 87 -3.121 10.244 20.288 646 HD2 PHE 87 HD2 PHE 87 -7.366 10.528 20.405 647 HE1 PHE 87 HE1 PHE 87 -2.957 11.891 22.109 648 HE2 PHE 87 HE2 PHE 87 -7.209 12.175 22.225 649 HZ PHE 87 HZ PHE 87 -5.003 12.859 23.079 650 H GLN 88 H GLN 88 -7.080 6.956 18.581 651 HA GLN 88 HA GLN 88 -8.708 6.796 20.811 652 HB2 GLN 88 2HB GLN 88 -9.182 6.394 18.256 653 HB3 GLN 88 3HB GLN 88 -8.922 4.707 18.681 654 HG2 GLN 88 2HG GLN 88 -10.707 6.008 20.543 655 HG3 GLN 88 3HG GLN 88 -11.286 6.135 18.883 656 HE21 GLN 88 1HE2 GLN 88 -10.084 3.827 21.269 657 HE22 GLN 88 2HE2 GLN 88 -11.009 2.483 20.699 658 H LEU 89 H LEU 89 -6.600 4.286 19.442 659 HA LEU 89 HA LEU 89 -7.246 2.261 21.276 660 HB2 LEU 89 2HB LEU 89 -6.084 1.822 19.188 661 HB3 LEU 89 3HB LEU 89 -4.689 2.740 19.752 662 HG LEU 89 HG LEU 89 -5.021 0.789 21.688 663 HD11 LEU 89 1HD1 LEU 89 -6.585 -0.161 19.757 664 HD12 LEU 89 2HD1 LEU 89 -5.591 -1.205 20.772 665 HD13 LEU 89 3HD1 LEU 89 -5.034 -0.753 19.161 666 HD21 LEU 89 1HD2 LEU 89 -3.205 1.088 19.319 667 HD22 LEU 89 2HD2 LEU 89 -3.027 -0.248 20.457 668 HD23 LEU 89 3HD2 LEU 89 -2.872 1.417 21.019 669 H PHE 90 H PHE 90 -4.661 4.691 21.307 670 HA PHE 90 HA PHE 90 -3.360 3.849 23.629 671 HB2 PHE 90 2HB PHE 90 -3.388 6.232 21.951 672 HB3 PHE 90 3HB PHE 90 -3.110 6.613 23.647 673 HD1 PHE 90 HD1 PHE 90 -1.865 4.644 20.784 674 HD2 PHE 90 HD2 PHE 90 -1.045 6.145 24.681 675 HE1 PHE 90 HE1 PHE 90 0.494 3.989 20.536 676 HE2 PHE 90 HE2 PHE 90 1.315 5.494 24.439 677 HZ PHE 90 HZ PHE 90 2.088 4.415 22.365 678 H ASP 91 H ASP 91 -6.228 5.815 23.184 679 HA ASP 91 HA ASP 91 -6.883 5.488 25.992 680 HB2 ASP 91 2HB ASP 91 -7.499 8.038 25.997 681 HB3 ASP 91 3HB ASP 91 -5.850 7.527 26.351 682 H LEU 92 H LEU 92 -8.928 4.862 26.082 683 HA LEU 92 HA LEU 92 -10.656 4.765 23.901 684 HB2 LEU 92 2HB LEU 92 -12.426 4.291 25.563 685 HB3 LEU 92 3HB LEU 92 -10.975 3.312 25.771 686 HG LEU 92 HG LEU 92 -10.865 5.684 27.414 687 HD11 LEU 92 1HD1 LEU 92 -12.728 5.508 28.740 688 HD12 LEU 92 2HD1 LEU 92 -13.042 3.838 28.270 689 HD13 LEU 92 3HD1 LEU 92 -13.414 5.153 27.154 690 HD21 LEU 92 1HD2 LEU 92 -10.948 2.743 28.080 691 HD22 LEU 92 2HD2 LEU 92 -10.426 4.042 29.154 692 HD23 LEU 92 3HD2 LEU 92 -9.496 3.671 27.701 693 H ASP 93 H ASP 93 -10.185 7.248 26.321 694 HA ASP 93 HA ASP 93 -12.395 8.812 25.189 695 HB2 ASP 93 2HB ASP 93 -10.773 9.317 27.693 696 HB3 ASP 93 3HB ASP 93 -12.182 10.235 27.169 697 H LYS 94 H LYS 94 -11.852 11.300 25.317 698 HA LYS 94 HA LYS 94 -9.231 11.701 24.030 699 HB2 LYS 94 2HB LYS 94 -10.400 13.565 22.754 700 HB3 LYS 94 3HB LYS 94 -10.816 11.920 22.293 701 HG2 LYS 94 2HG LYS 94 -12.540 13.068 24.363 702 HG3 LYS 94 3HG LYS 94 -12.606 13.894 22.805 703 HD2 LYS 94 2HD LYS 94 -13.296 11.946 21.682 704 HD3 LYS 94 3HD LYS 94 -12.832 10.906 23.031 705 HE2 LYS 94 2HE LYS 94 -14.729 12.836 23.944 706 HE3 LYS 94 3HE LYS 94 -15.356 12.058 22.491 707 HZ1 LYS 94 1HZ LYS 94 -14.560 10.795 25.044 708 HZ2 LYS 94 2HZ LYS 94 -14.730 9.896 23.622 709 HZ3 LYS 94 3HZ LYS 94 -16.058 10.726 24.261 710 H LYS 95 H LYS 95 -8.509 12.202 26.227 711 HA LYS 95 HA LYS 95 -9.556 14.484 27.596 712 HB2 LYS 95 2HB LYS 95 -7.535 14.229 29.033 713 HB3 LYS 95 3HB LYS 95 -8.483 12.755 28.882 714 HG2 LYS 95 2HG LYS 95 -6.572 12.695 26.818 715 HG3 LYS 95 3HG LYS 95 -5.728 13.197 28.285 716 HD2 LYS 95 2HD LYS 95 -7.605 10.856 28.286 717 HD3 LYS 95 3HD LYS 95 -5.920 10.680 27.793 718 HE2 LYS 95 2HE LYS 95 -5.122 11.279 29.914 719 HE3 LYS 95 3HE LYS 95 -6.670 11.971 30.397 720 HZ1 LYS 95 1HZ LYS 95 -7.196 10.031 31.287 721 HZ2 LYS 95 2HZ LYS 95 -5.740 9.348 30.766 722 HZ3 LYS 95 3HZ LYS 95 -7.104 9.291 29.768 723 H GLY 96 H GLY 96 -6.941 13.910 25.325 724 HA2 GLY 96 2HA GLY 96 -5.783 15.413 24.014 725 HA3 GLY 96 3HA GLY 96 -6.805 16.688 24.659 726 H LYS 97 H LYS 97 -5.260 14.779 27.020 727 HA LYS 97 HA LYS 97 -3.230 16.882 27.406 728 HB2 LYS 97 2HB LYS 97 -4.589 15.199 29.520 729 HB3 LYS 97 3HB LYS 97 -3.377 16.440 29.813 730 HG2 LYS 97 2HG LYS 97 -4.889 18.144 28.965 731 HG3 LYS 97 3HG LYS 97 -6.100 16.909 28.612 732 HD2 LYS 97 2HD LYS 97 -4.989 17.456 31.362 733 HD3 LYS 97 3HD LYS 97 -6.487 18.153 30.743 734 HE2 LYS 97 2HE LYS 97 -7.623 16.287 31.177 735 HE3 LYS 97 3HE LYS 97 -6.422 15.291 30.357 736 HZ1 LYS 97 1HZ LYS 97 -6.904 15.452 33.080 737 HZ2 LYS 97 2HZ LYS 97 -5.402 16.188 32.832 738 HZ3 LYS 97 3HZ LYS 97 -5.663 14.602 32.305 739 H ILE 98 H ILE 98 -1.334 16.098 26.742 740 HA ILE 98 HA ILE 98 -0.439 13.538 27.851 741 HB ILE 98 HB ILE 98 -0.061 14.296 24.952 742 HG12 ILE 98 2HG1 ILE 98 -1.407 11.945 24.914 743 HG13 ILE 98 3HG1 ILE 98 -2.091 12.671 26.364 744 HG21 ILE 98 1HG2 ILE 98 1.805 13.047 25.440 745 HG22 ILE 98 2HG2 ILE 98 0.979 12.095 26.672 746 HG23 ILE 98 3HG2 ILE 98 0.671 11.784 24.964 747 HD11 ILE 98 1HD1 ILE 98 -3.433 13.153 24.393 748 HD12 ILE 98 2HD1 ILE 98 -2.754 14.627 25.083 749 HD13 ILE 98 3HD1 ILE 98 -2.043 13.925 23.630 750 H SER 99 H SER 99 1.582 13.601 28.626 751 HA SER 99 HA SER 99 2.991 16.058 28.743 752 HB2 SER 99 2HB SER 99 3.446 13.282 29.715 753 HB3 SER 99 3HB SER 99 4.853 14.340 29.604 754 HG SER 99 HG SER 99 3.883 14.533 31.638 755 H PHE 100 H PHE 100 4.613 16.850 27.539 756 HA PHE 100 HA PHE 100 5.111 15.928 24.964 757 HB2 PHE 100 2HB PHE 100 6.980 17.518 24.924 758 HB3 PHE 100 3HB PHE 100 5.558 18.234 25.675 759 HD1 PHE 100 HD1 PHE 100 5.508 18.697 28.058 760 HD2 PHE 100 HD2 PHE 100 8.965 17.052 26.199 761 HE1 PHE 100 HE1 PHE 100 6.844 19.272 30.042 762 HE2 PHE 100 HE2 PHE 100 10.307 17.624 28.180 763 HZ PHE 100 HZ PHE 100 9.247 18.735 30.106 764 H ALA 101 H ALA 101 6.820 15.290 27.974 765 HA ALA 101 HA ALA 101 9.096 14.045 26.910 766 HB1 ALA 101 1HB ALA 101 9.610 13.426 29.064 767 HB2 ALA 101 2HB ALA 101 8.512 14.777 29.349 768 HB3 ALA 101 3HB ALA 101 7.927 13.120 29.494 769 H ASN 102 H ASN 102 6.092 12.576 28.154 770 HA ASN 102 HA ASN 102 6.690 9.926 27.607 771 HB2 ASN 102 2HB ASN 102 4.088 11.430 27.732 772 HB3 ASN 102 3HB ASN 102 4.123 9.708 27.363 773 HD21 ASN 102 1HD2 ASN 102 3.030 9.177 29.241 774 HD22 ASN 102 2HD2 ASN 102 3.776 9.251 30.798 775 H LEU 103 H LEU 103 5.069 12.303 25.520 776 HA LEU 103 HA LEU 103 4.573 10.634 23.342 777 HB2 LEU 103 2HB LEU 103 3.704 12.957 23.701 778 HB3 LEU 103 3HB LEU 103 5.283 13.558 23.199 779 HG LEU 103 HG LEU 103 4.902 12.387 20.998 780 HD11 LEU 103 1HD1 LEU 103 3.077 10.914 21.985 781 HD12 LEU 103 2HD1 LEU 103 2.771 11.616 20.397 782 HD13 LEU 103 3HD1 LEU 103 2.018 12.316 21.830 783 HD21 LEU 103 1HD2 LEU 103 4.513 14.515 20.479 784 HD22 LEU 103 2HD2 LEU 103 3.728 14.824 22.028 785 HD23 LEU 103 3HD2 LEU 103 2.796 14.166 20.682 786 H LYS 104 H LYS 104 7.409 12.633 24.077 787 HA LYS 104 HA LYS 104 8.843 12.157 21.726 788 HB2 LYS 104 2HB LYS 104 9.305 13.780 23.718 789 HB3 LYS 104 3HB LYS 104 10.223 12.432 24.375 790 HG2 LYS 104 2HG LYS 104 10.988 12.772 21.665 791 HG3 LYS 104 3HG LYS 104 11.024 14.351 22.453 792 HD2 LYS 104 2HD LYS 104 12.345 11.866 23.538 793 HD3 LYS 104 3HD LYS 104 13.173 13.112 22.603 794 HE2 LYS 104 2HE LYS 104 11.661 14.230 24.810 795 HE3 LYS 104 3HE LYS 104 12.844 13.043 25.357 796 HZ1 LYS 104 1HZ LYS 104 13.585 15.192 23.470 797 HZ2 LYS 104 2HZ LYS 104 14.593 14.267 24.464 798 HZ3 LYS 104 3HZ LYS 104 13.594 15.451 25.142 799 H GLU 105 H GLU 105 9.051 10.476 24.863 800 HA GLU 105 HA GLU 105 10.964 8.592 24.206 801 HB2 GLU 105 2HB GLU 105 10.081 8.928 26.480 802 HB3 GLU 105 3HB GLU 105 8.556 8.202 25.992 803 HG2 GLU 105 2HG GLU 105 9.421 6.084 25.933 804 HG3 GLU 105 3HG GLU 105 11.064 6.645 25.630 805 H VAL 106 H VAL 106 7.430 8.302 23.889 806 HA VAL 106 HA VAL 106 7.336 5.731 22.829 807 HB VAL 106 HB VAL 106 5.491 8.043 22.211 808 HG11 VAL 106 1HG1 VAL 106 5.217 6.259 20.598 809 HG12 VAL 106 2HG1 VAL 106 5.099 5.069 21.896 810 HG13 VAL 106 3HG1 VAL 106 3.839 6.288 21.698 811 HG21 VAL 106 1HG2 VAL 106 4.623 7.810 24.245 812 HG22 VAL 106 2HG2 VAL 106 4.477 6.064 24.045 813 HG23 VAL 106 3HG2 VAL 106 5.984 6.760 24.641 814 H ALA 107 H ALA 107 7.648 8.848 21.164 815 HA ALA 107 HA ALA 107 7.521 7.939 18.536 816 HB1 ALA 107 1HB ALA 107 8.386 10.351 19.899 817 HB2 ALA 107 2HB ALA 107 9.333 10.022 18.448 818 HB3 ALA 107 3HB ALA 107 7.578 10.158 18.343 819 H LYS 108 H LYS 108 10.433 8.522 20.513 820 HA LYS 108 HA LYS 108 12.268 7.525 18.631 821 HB2 LYS 108 2HB LYS 108 12.549 7.578 21.641 822 HB3 LYS 108 3HB LYS 108 13.861 7.454 20.476 823 HG2 LYS 108 2HG LYS 108 11.992 9.805 20.675 824 HG3 LYS 108 3HG LYS 108 13.574 9.716 21.453 825 HD2 LYS 108 2HD LYS 108 14.472 9.211 19.096 826 HD3 LYS 108 3HD LYS 108 12.916 9.820 18.526 827 HE2 LYS 108 2HE LYS 108 14.515 11.615 18.499 828 HE3 LYS 108 3HE LYS 108 13.337 11.919 19.774 829 HZ1 LYS 108 1HZ LYS 108 15.837 10.525 20.435 830 HZ2 LYS 108 2HZ LYS 108 14.865 11.506 21.412 831 HZ3 LYS 108 3HZ LYS 108 15.861 12.205 20.236 832 H LEU 109 H LEU 109 10.286 5.949 21.031 833 HA LEU 109 HA LEU 109 11.627 3.489 21.187 834 HB2 LEU 109 2HB LEU 109 9.704 4.394 22.615 835 HB3 LEU 109 3HB LEU 109 8.644 3.784 21.346 836 HG LEU 109 HG LEU 109 9.741 1.514 21.759 837 HD11 LEU 109 1HD1 LEU 109 11.649 2.423 23.053 838 HD12 LEU 109 2HD1 LEU 109 10.763 1.158 23.904 839 HD13 LEU 109 3HD1 LEU 109 10.526 2.849 24.344 840 HD21 LEU 109 1HD2 LEU 109 7.718 2.950 23.306 841 HD22 LEU 109 2HD2 LEU 109 8.399 1.553 24.138 842 HD23 LEU 109 3HD2 LEU 109 7.653 1.357 22.551 843 H LEU 110 H LEU 110 9.389 4.782 18.831 844 HA LEU 110 HA LEU 110 8.789 2.337 17.527 845 HB2 LEU 110 2HB LEU 110 8.732 5.160 16.472 846 HB3 LEU 110 3HB LEU 110 8.011 3.761 15.680 847 HG LEU 110 HG LEU 110 7.164 4.730 18.403 848 HD11 LEU 110 1HD1 LEU 110 6.117 5.463 15.679 849 HD12 LEU 110 2HD1 LEU 110 6.707 6.542 16.943 850 HD13 LEU 110 3HD1 LEU 110 5.190 5.671 17.166 851 HD21 LEU 110 1HD2 LEU 110 6.673 2.373 17.753 852 HD22 LEU 110 2HD2 LEU 110 5.735 2.995 16.395 853 HD23 LEU 110 3HD2 LEU 110 5.238 3.355 18.049 854 H GLY 111 H GLY 111 11.586 4.258 17.609 855 HA2 GLY 111 2HA GLY 111 13.655 3.639 16.690 856 HA3 GLY 111 3HA GLY 111 12.815 2.577 15.569 857 H GLU 112 H GLU 112 11.605 5.779 15.881 858 HA GLU 112 HA GLU 112 12.593 6.380 13.189 859 HB2 GLU 112 2HB GLU 112 10.110 6.477 13.824 860 HB3 GLU 112 3HB GLU 112 10.514 7.942 14.706 861 HG2 GLU 112 2HG GLU 112 9.655 8.521 12.544 862 HG3 GLU 112 3HG GLU 112 11.367 8.934 12.621 863 H ASN 113 H ASN 113 13.956 8.020 12.766 864 HA ASN 113 HA ASN 113 14.761 9.726 15.030 865 HB2 ASN 113 2HB ASN 113 16.506 8.116 14.278 866 HB3 ASN 113 3HB ASN 113 16.470 8.867 12.685 867 HD21 ASN 113 1HD2 ASN 113 16.601 9.989 16.053 868 HD22 ASN 113 2HD2 ASN 113 17.921 11.078 15.815 869 HA PRO 114 HA PRO 114 12.966 12.427 11.689 870 HB2 PRO 114 2HB PRO 114 11.421 13.895 13.371 871 HB3 PRO 114 3HB PRO 114 10.877 12.379 12.643 872 HG2 PRO 114 2HG PRO 114 11.973 12.879 15.384 873 HG3 PRO 114 3HG PRO 114 10.598 11.871 14.895 874 HD2 PRO 114 2HD PRO 114 13.034 10.835 15.465 875 HD3 PRO 114 3HD PRO 114 11.949 10.116 14.257 876 H GLY 115 H GLY 115 12.929 14.894 11.703 877 HA2 GLY 115 2HA GLY 115 15.495 15.809 12.628 878 HA3 GLY 115 3HA GLY 115 14.326 16.740 11.703 879 H ASP 116 H ASP 116 15.980 17.203 14.239 880 HA ASP 116 HA ASP 116 14.383 17.402 16.487 881 HB2 ASP 116 2HB ASP 116 16.780 18.875 15.501 882 HB3 ASP 116 3HB ASP 116 15.909 19.547 16.877 883 H ASP 117 H ASP 117 14.588 19.541 13.706 884 HA ASP 117 HA ASP 117 13.172 21.729 14.710 885 HB2 ASP 117 2HB ASP 117 12.803 22.368 12.415 886 HB3 ASP 117 3HB ASP 117 14.416 21.673 12.544 887 H VAL 118 H VAL 118 12.045 18.696 13.325 888 HA VAL 118 HA VAL 118 9.306 19.433 13.148 889 HB VAL 118 HB VAL 118 10.507 16.668 13.358 890 HG11 VAL 118 1HG1 VAL 118 8.225 16.425 13.813 891 HG12 VAL 118 2HG1 VAL 118 7.767 17.662 12.641 892 HG13 VAL 118 3HG1 VAL 118 8.360 16.096 12.086 893 HG21 VAL 118 1HG2 VAL 118 10.536 18.626 11.243 894 HG22 VAL 118 2HG2 VAL 118 11.340 17.059 11.332 895 HG23 VAL 118 3HG2 VAL 118 9.683 17.167 10.740 896 H LEU 119 H LEU 119 11.315 18.124 15.686 897 HA LEU 119 HA LEU 119 9.191 17.267 17.380 898 HB2 LEU 119 2HB LEU 119 11.970 17.075 17.362 899 HB3 LEU 119 3HB LEU 119 11.593 18.022 18.799 900 HG LEU 119 HG LEU 119 11.811 15.639 19.305 901 HD11 LEU 119 1HD1 LEU 119 9.959 17.322 20.263 902 HD12 LEU 119 2HD1 LEU 119 10.145 15.662 20.828 903 HD13 LEU 119 3HD1 LEU 119 8.907 16.054 19.634 904 HD21 LEU 119 1HD2 LEU 119 9.297 14.856 18.040 905 HD22 LEU 119 2HD2 LEU 119 10.835 13.999 18.138 906 HD23 LEU 119 3HD2 LEU 119 10.586 15.225 16.894 907 H GLN 120 H GLN 120 11.382 20.078 17.562 908 HA GLN 120 HA GLN 120 10.072 21.344 19.692 909 HB2 GLN 120 2HB GLN 120 11.557 22.777 17.494 910 HB3 GLN 120 3HB GLN 120 11.369 23.273 19.171 911 HG2 GLN 120 2HG GLN 120 13.103 21.118 18.031 912 HG3 GLN 120 3HG GLN 120 13.554 22.492 19.038 913 HE21 GLN 120 1HE2 GLN 120 11.899 22.375 21.122 914 HE22 GLN 120 2HE2 GLN 120 12.092 20.896 21.994 915 H GLU 121 H GLU 121 9.690 21.712 16.186 916 HA GLU 121 HA GLU 121 7.811 23.802 16.264 917 HB2 GLU 121 2HB GLU 121 8.428 21.683 14.218 918 HB3 GLU 121 3HB GLU 121 7.163 22.876 13.958 919 HG2 GLU 121 2HG GLU 121 9.877 23.819 14.720 920 HG3 GLU 121 3HG GLU 121 9.602 23.253 13.073 921 H MET 122 H MET 122 7.390 20.281 16.136 922 HA MET 122 HA MET 122 4.614 20.204 15.938 923 HB2 MET 122 2HB MET 122 5.934 18.206 15.638 924 HB3 MET 122 3HB MET 122 6.518 18.290 17.295 925 HG2 MET 122 2HG MET 122 4.696 17.297 18.118 926 HG3 MET 122 3HG MET 122 3.609 18.203 17.069 927 HE1 MET 122 1HE MET 122 4.628 13.968 16.947 928 HE2 MET 122 2HE MET 122 4.677 15.195 18.213 929 HE3 MET 122 3HE MET 122 3.129 14.688 17.535 930 H ILE 123 H ILE 123 6.608 20.006 18.889 931 HA ILE 123 HA ILE 123 4.501 19.984 20.723 932 HB ILE 123 HB ILE 123 7.280 21.108 21.098 933 HG12 ILE 123 2HG1 ILE 123 7.220 18.737 20.385 934 HG13 ILE 123 3HG1 ILE 123 7.830 18.925 22.026 935 HG21 ILE 123 1HG2 ILE 123 6.368 21.890 23.000 936 HG22 ILE 123 2HG2 ILE 123 4.980 20.807 22.902 937 HG23 ILE 123 3HG2 ILE 123 6.517 20.215 23.534 938 HD11 ILE 123 1HD1 ILE 123 6.345 17.030 21.889 939 HD12 ILE 123 2HD1 ILE 123 5.624 18.289 22.893 940 HD13 ILE 123 3HD1 ILE 123 5.062 18.049 21.239 941 H ALA 124 H ALA 124 6.202 22.672 19.201 942 HA ALA 124 HA ALA 124 5.156 24.759 20.749 943 HB1 ALA 124 1HB ALA 124 6.652 25.802 19.480 944 HB2 ALA 124 2HB ALA 124 6.654 24.491 18.300 945 HB3 ALA 124 3HB ALA 124 5.464 25.787 18.177 946 H GLU 125 H GLU 125 3.954 23.284 17.750 947 HA GLU 125 HA GLU 125 1.726 24.990 17.444 948 HB2 GLU 125 2HB GLU 125 2.452 22.284 16.374 949 HB3 GLU 125 3HB GLU 125 0.849 22.944 16.085 950 HG2 GLU 125 2HG GLU 125 3.323 24.493 15.416 951 HG3 GLU 125 3HG GLU 125 2.641 23.308 14.304 952 H ALA 126 H ALA 126 1.934 21.665 18.714 953 HA ALA 126 HA ALA 126 -0.745 21.448 19.499 954 HB1 ALA 126 1HB ALA 126 1.681 19.922 19.820 955 HB2 ALA 126 2HB ALA 126 0.706 19.883 21.289 956 HB3 ALA 126 3HB ALA 126 0.007 19.372 19.753 957 H ASP 127 H ASP 127 1.967 23.011 21.001 958 HA ASP 127 HA ASP 127 0.936 23.146 23.639 959 HB2 ASP 127 2HB ASP 127 3.263 23.514 23.392 960 HB3 ASP 127 3HB ASP 127 3.016 24.745 22.156 961 H GLU 128 H GLU 128 0.394 25.001 20.752 962 HA GLU 128 HA GLU 128 -0.615 27.361 21.888 963 HB2 GLU 128 2HB GLU 128 -0.060 26.689 19.393 964 HB3 GLU 128 3HB GLU 128 -1.773 26.296 19.350 965 HG2 GLU 128 2HG GLU 128 -2.413 28.454 19.425 966 HG3 GLU 128 3HG GLU 128 -1.081 28.927 20.478 967 H ASP 129 H ASP 129 -2.000 24.209 21.502 968 HA ASP 129 HA ASP 129 -4.730 24.872 21.664 969 HB2 ASP 129 2HB ASP 129 -3.597 22.607 21.099 970 HB3 ASP 129 3HB ASP 129 -3.597 22.349 22.842 971 H GLY 130 H GLY 130 -2.241 24.543 24.097 972 HA2 GLY 130 2HA GLY 130 -4.074 25.669 26.070 973 HA3 GLY 130 3HA GLY 130 -3.372 24.104 26.451 974 H ASP 131 H ASP 131 -2.029 24.580 28.096 975 HA ASP 131 HA ASP 131 0.162 26.448 27.510 976 HB2 ASP 131 2HB ASP 131 -0.940 26.227 30.293 977 HB3 ASP 131 3HB ASP 131 0.025 27.517 29.581 978 H GLY 132 H GLY 132 1.612 24.808 27.082 979 HA2 GLY 132 2HA GLY 132 3.372 23.461 27.780 980 HA3 GLY 132 3HA GLY 132 2.715 23.497 29.410 981 H GLU 133 H GLU 133 0.547 22.649 26.883 982 HA GLU 133 HA GLU 133 0.832 19.801 27.583 983 HB2 GLU 133 2HB GLU 133 -1.608 21.523 27.440 984 HB3 GLU 133 3HB GLU 133 -1.742 19.820 27.028 985 HG2 GLU 133 2HG GLU 133 -0.565 19.420 29.291 986 HG3 GLU 133 3HG GLU 133 -1.052 21.076 29.648 987 H VAL 134 H VAL 134 0.307 18.285 25.952 988 HA VAL 134 HA VAL 134 0.440 19.404 23.229 989 HB VAL 134 HB VAL 134 1.290 16.640 24.099 990 HG11 VAL 134 1HG1 VAL 134 0.585 17.049 21.698 991 HG12 VAL 134 2HG1 VAL 134 1.998 18.098 21.566 992 HG13 VAL 134 3HG1 VAL 134 2.201 16.385 21.938 993 HG21 VAL 134 1HG2 VAL 134 3.578 17.424 23.957 994 HG22 VAL 134 2HG2 VAL 134 3.024 19.043 23.530 995 HG23 VAL 134 3HG2 VAL 134 2.686 18.390 25.133 996 H SER 135 H SER 135 -1.487 19.372 22.279 997 HA SER 135 HA SER 135 -3.248 17.057 22.748 998 HB2 SER 135 2HB SER 135 -4.254 19.135 23.521 999 HB3 SER 135 3HB SER 135 -3.962 19.890 21.954 1000 HG SER 135 HG SER 135 -5.471 18.564 21.037 1001 H PHE 136 H PHE 136 -2.864 15.664 21.130 1002 HA PHE 136 HA PHE 136 -1.990 16.274 18.559 1003 HB2 PHE 136 2HB PHE 136 -2.791 13.944 19.988 1004 HB3 PHE 136 3HB PHE 136 -3.619 13.935 18.434 1005 HD1 PHE 136 HD1 PHE 136 -0.397 13.742 20.129 1006 HD2 PHE 136 HD2 PHE 136 -2.370 13.795 16.358 1007 HE1 PHE 136 HE1 PHE 136 1.654 12.918 19.048 1008 HE2 PHE 136 HE2 PHE 136 -0.323 12.970 15.271 1009 HZ PHE 136 HZ PHE 136 1.692 12.530 16.617 1010 H GLU 137 H GLU 137 -5.190 16.315 19.927 1011 HA GLU 137 HA GLU 137 -6.769 16.164 17.650 1012 HB2 GLU 137 2HB GLU 137 -7.575 16.229 20.026 1013 HB3 GLU 137 3HB GLU 137 -7.284 17.963 20.022 1014 HG2 GLU 137 2HG GLU 137 -8.918 18.268 18.266 1015 HG3 GLU 137 3HG GLU 137 -9.167 16.526 18.166 1016 H GLU 138 H GLU 138 -4.954 18.875 18.959 1017 HA GLU 138 HA GLU 138 -6.059 20.898 17.341 1018 HB2 GLU 138 2HB GLU 138 -4.366 20.927 19.412 1019 HB3 GLU 138 3HB GLU 138 -3.193 21.073 18.110 1020 HG2 GLU 138 2HG GLU 138 -5.577 22.874 18.238 1021 HG3 GLU 138 3HG GLU 138 -4.129 23.209 19.185 1022 H PHE 139 H PHE 139 -3.115 18.940 16.934 1023 HA PHE 139 HA PHE 139 -2.280 20.034 14.506 1024 HB2 PHE 139 2HB PHE 139 -1.288 18.147 16.191 1025 HB3 PHE 139 3HB PHE 139 -1.815 17.139 14.848 1026 HD1 PHE 139 HD1 PHE 139 0.023 20.341 15.397 1027 HD2 PHE 139 HD2 PHE 139 -0.277 16.702 13.210 1028 HE1 PHE 139 HE1 PHE 139 2.078 20.913 14.170 1029 HE2 PHE 139 HE2 PHE 139 1.778 17.267 11.980 1030 HZ PHE 139 HZ PHE 139 2.958 19.375 12.460 1031 H LYS 140 H LYS 140 -4.326 17.195 15.126 1032 HA LYS 140 HA LYS 140 -4.741 16.441 12.469 1033 HB2 LYS 140 2HB LYS 140 -5.490 15.431 14.864 1034 HB3 LYS 140 3HB LYS 140 -7.022 16.105 14.324 1035 HG2 LYS 140 2HG LYS 140 -7.188 14.005 13.463 1036 HG3 LYS 140 3HG LYS 140 -6.418 14.826 12.103 1037 HD2 LYS 140 2HD LYS 140 -4.692 13.591 14.195 1038 HD3 LYS 140 3HD LYS 140 -5.487 12.539 13.021 1039 HE2 LYS 140 2HE LYS 140 -3.670 12.958 11.766 1040 HE3 LYS 140 3HE LYS 140 -4.497 14.470 11.397 1041 HZ1 LYS 140 1HZ LYS 140 -3.277 15.237 13.565 1042 HZ2 LYS 140 2HZ LYS 140 -2.482 15.250 12.073 1043 HZ3 LYS 140 3HZ LYS 140 -2.212 13.986 13.164 1044 H SER 141 H SER 141 -6.551 18.689 14.525 1045 HA SER 141 HA SER 141 -8.630 19.238 12.721 1046 HB2 SER 141 2HB SER 141 -9.285 20.886 14.203 1047 HB3 SER 141 3HB SER 141 -8.271 19.900 15.256 1048 HG SER 141 HG SER 141 -6.956 21.520 15.445 1049 H VAL 142 H VAL 142 -5.485 20.792 13.203 1050 HA VAL 142 HA VAL 142 -5.832 22.908 11.390 1051 HB VAL 142 HB VAL 142 -3.269 21.505 12.161 1052 HG11 VAL 142 1HG1 VAL 142 -3.857 23.832 10.456 1053 HG12 VAL 142 2HG1 VAL 142 -2.566 24.059 11.638 1054 HG13 VAL 142 3HG1 VAL 142 -2.466 22.749 10.461 1055 HG21 VAL 142 1HG2 VAL 142 -3.284 22.624 14.096 1056 HG22 VAL 142 2HG2 VAL 142 -3.823 24.117 13.328 1057 HG23 VAL 142 3HG2 VAL 142 -5.001 22.889 13.790 1058 H MET 143 H MET 143 -4.312 19.720 10.935 1059 HA MET 143 HA MET 143 -3.619 20.014 8.252 1060 HB2 MET 143 2HB MET 143 -3.307 18.051 10.100 1061 HB3 MET 143 3HB MET 143 -4.533 17.328 9.067 1062 HG2 MET 143 2HG MET 143 -3.048 16.855 7.495 1063 HG3 MET 143 3HG MET 143 -2.415 18.499 7.503 1064 HE1 MET 143 1HE MET 143 0.990 17.109 7.906 1065 HE2 MET 143 2HE MET 143 -0.138 16.091 7.011 1066 HE3 MET 143 3HE MET 143 -0.239 17.847 6.878 1067 H MET 144 H MET 144 -6.604 18.744 9.697 1068 HA MET 144 HA MET 144 -7.889 18.030 7.316 1069 HB2 MET 144 2HB MET 144 -8.521 17.631 9.838 1070 HB3 MET 144 3HB MET 144 -9.453 19.107 9.627 1071 HG2 MET 144 2HG MET 144 -9.981 17.390 7.426 1072 HG3 MET 144 3HG MET 144 -10.150 16.465 8.917 1073 HE1 MET 144 1HE MET 144 -13.417 18.005 7.061 1074 HE2 MET 144 2HE MET 144 -12.306 19.339 6.747 1075 HE3 MET 144 3HE MET 144 -11.796 17.677 6.448 1076 H GLN 145 H GLN 145 -7.939 21.073 9.140 1077 HA GLN 145 HA GLN 145 -9.800 22.432 7.555 1078 HB2 GLN 145 2HB GLN 145 -8.951 23.177 9.787 1079 HB3 GLN 145 3HB GLN 145 -7.447 23.649 9.008 1080 HG2 GLN 145 2HG GLN 145 -8.478 25.374 7.807 1081 HG3 GLN 145 3HG GLN 145 -10.093 24.742 8.124 1082 HE21 GLN 145 1HE2 GLN 145 -7.288 26.243 9.623 1083 HE22 GLN 145 2HE2 GLN 145 -8.150 26.986 10.923 1084 H MET 146 H MET 146 -6.264 22.254 7.310 1085 HA MET 146 HA MET 146 -5.972 24.024 5.152 1086 HB2 MET 146 2HB MET 146 -4.274 21.677 6.010 1087 HB3 MET 146 3HB MET 146 -3.794 22.838 4.779 1088 HG2 MET 146 2HG MET 146 -4.624 24.027 7.325 1089 HG3 MET 146 3HG MET 146 -3.181 23.019 7.411 1090 HE1 MET 146 1HE MET 146 -0.913 24.599 7.452 1091 HE2 MET 146 2HE MET 146 -1.117 23.312 6.264 1092 HE3 MET 146 3HE MET 146 -0.466 24.874 5.768 1093 H ARG 147 H ARG 147 -6.347 20.493 5.223 1094 HA ARG 147 HA ARG 147 -6.114 20.023 2.482 1095 HB2 ARG 147 2HB ARG 147 -7.420 18.580 4.749 1096 HB3 ARG 147 3HB ARG 147 -7.743 18.041 3.107 1097 HG2 ARG 147 2HG ARG 147 -5.001 18.313 4.321 1098 HG3 ARG 147 3HG ARG 147 -5.911 16.806 4.192 1099 HD2 ARG 147 2HD ARG 147 -6.033 17.581 1.643 1100 HD3 ARG 147 3HD ARG 147 -4.533 18.388 2.098 1101 HE ARG 147 HE ARG 147 -3.503 16.342 2.219 1102 HH11 ARG 147 1HH1 ARG 147 -6.952 15.894 2.086 1103 HH12 ARG 147 2HH1 ARG 147 -6.853 14.177 1.876 1104 HH21 ARG 147 1HH2 ARG 147 -3.358 14.082 1.943 1105 HH22 ARG 147 2HH2 ARG 147 -4.808 13.148 1.796 1106 H GLY 148 H GLY 148 -8.992 20.743 4.436 1107 HA2 GLY 148 2HA GLY 148 -10.880 20.513 2.362 1108 HA3 GLY 148 3HA GLY 148 -11.095 21.440 3.839 1109 H LYS 149 H LYS 149 -9.463 23.481 3.747 1110 HA LYS 149 HA LYS 149 -10.599 25.277 1.960 1111 HB2 LYS 149 2HB LYS 149 -7.878 25.502 3.258 1112 HB3 LYS 149 3HB LYS 149 -8.840 26.830 2.623 1113 HG2 LYS 149 2HG LYS 149 -10.387 25.348 4.521 1114 HG3 LYS 149 3HG LYS 149 -8.832 25.793 5.229 1115 HD2 LYS 149 2HD LYS 149 -9.486 28.114 4.027 1116 HD3 LYS 149 3HD LYS 149 -11.097 27.492 4.393 1117 HE2 LYS 149 2HE LYS 149 -10.869 28.066 6.526 1118 HE3 LYS 149 3HE LYS 149 -9.399 27.103 6.658 1119 HZ1 LYS 149 1HZ LYS 149 -8.728 29.247 7.189 1120 HZ2 LYS 149 2HZ LYS 149 -9.670 29.964 5.981 1121 HZ3 LYS 149 3HZ LYS 149 -8.276 29.100 5.565 Start of MODEL 17 1 H1 MET 1 H MET 1 1.097 -0.402 -1.306 2 HA MET 1 HA MET 1 2.445 -1.593 -3.527 3 HB2 MET 1 2HB MET 1 0.114 -1.819 -4.288 4 HB3 MET 1 3HB MET 1 -0.117 -0.088 -4.084 5 HG2 MET 1 2HG MET 1 0.232 -0.556 -6.400 6 HG3 MET 1 3HG MET 1 1.635 0.307 -5.776 7 HE1 MET 1 1HE MET 1 3.603 -0.061 -6.534 8 HE2 MET 1 2HE MET 1 4.229 -1.245 -5.388 9 HE3 MET 1 3HE MET 1 4.372 -1.535 -7.122 10 H ALA 2 H ALA 2 0.652 1.463 -3.163 11 HA ALA 2 HA ALA 2 3.206 2.891 -2.967 12 HB1 ALA 2 1HB ALA 2 2.593 2.946 -5.320 13 HB2 ALA 2 2HB ALA 2 1.008 3.601 -4.907 14 HB3 ALA 2 3HB ALA 2 2.461 4.553 -4.606 15 H ALA 3 H ALA 3 3.143 4.799 -1.805 16 HA ALA 3 HA ALA 3 0.638 5.277 -0.336 17 HB1 ALA 3 1HB ALA 3 2.660 6.625 1.002 18 HB2 ALA 3 2HB ALA 3 1.942 5.079 1.456 19 HB3 ALA 3 3HB ALA 3 3.410 5.117 0.478 20 H LEU 4 H LEU 4 -0.058 7.415 0.047 21 HA LEU 4 HA LEU 4 0.019 9.152 -2.099 22 HB2 LEU 4 2HB LEU 4 -0.856 10.861 -0.538 23 HB3 LEU 4 3HB LEU 4 -1.705 9.319 -0.453 24 HG LEU 4 HG LEU 4 0.166 9.060 1.531 25 HD11 LEU 4 1HD1 LEU 4 0.229 11.754 0.936 26 HD12 LEU 4 2HD1 LEU 4 0.765 11.003 2.438 27 HD13 LEU 4 3HD1 LEU 4 -0.867 11.657 2.314 28 HD21 LEU 4 1HD2 LEU 4 -1.702 9.362 3.050 29 HD22 LEU 4 2HD2 LEU 4 -2.217 8.470 1.619 30 HD23 LEU 4 3HD2 LEU 4 -2.624 10.178 1.788 31 H THR 5 H THR 5 2.068 9.079 0.770 32 HA THR 5 HA THR 5 3.387 11.491 0.542 33 HB THR 5 HB THR 5 5.300 10.431 1.677 34 HG1 THR 5 HG1 THR 5 5.455 8.262 1.848 35 HG21 THR 5 1HG2 THR 5 2.553 9.671 2.662 36 HG22 THR 5 2HG2 THR 5 3.504 11.091 3.098 37 HG23 THR 5 3HG2 THR 5 4.015 9.489 3.630 38 H ASP 6 H ASP 6 4.117 8.431 -1.095 39 HA ASP 6 HA ASP 6 6.468 9.207 -2.381 40 HB2 ASP 6 2HB ASP 6 4.335 7.200 -3.076 41 HB3 ASP 6 3HB ASP 6 5.732 7.450 -4.119 42 H GLU 7 H GLU 7 3.098 9.440 -3.480 43 HA GLU 7 HA GLU 7 3.659 10.543 -6.008 44 HB2 GLU 7 2HB GLU 7 1.472 9.542 -5.271 45 HB3 GLU 7 3HB GLU 7 1.175 11.013 -4.356 46 HG2 GLU 7 2HG GLU 7 1.780 11.972 -6.851 47 HG3 GLU 7 3HG GLU 7 0.893 10.490 -7.203 48 H GLN 8 H GLN 8 3.258 11.987 -2.836 49 HA GLN 8 HA GLN 8 3.020 14.672 -3.656 50 HB2 GLN 8 2HB GLN 8 3.143 13.258 -1.210 51 HB3 GLN 8 3HB GLN 8 4.401 14.485 -1.148 52 HG2 GLN 8 2HG GLN 8 2.208 15.826 -2.170 53 HG3 GLN 8 3HG GLN 8 1.530 14.758 -0.942 54 HE21 GLN 8 1HE2 GLN 8 2.664 14.794 1.181 55 HE22 GLN 8 2HE2 GLN 8 3.227 16.321 1.760 56 H ILE 9 H ILE 9 5.867 12.907 -2.428 57 HA ILE 9 HA ILE 9 7.715 14.968 -2.892 58 HB ILE 9 HB ILE 9 9.447 13.181 -2.799 59 HG12 ILE 9 2HG1 ILE 9 7.044 11.358 -2.549 60 HG13 ILE 9 3HG1 ILE 9 8.169 11.399 -3.902 61 HG21 ILE 9 1HG2 ILE 9 9.222 12.829 -0.510 62 HG22 ILE 9 2HG2 ILE 9 8.263 14.280 -0.794 63 HG23 ILE 9 3HG2 ILE 9 7.465 12.719 -0.601 64 HD11 ILE 9 1HD1 ILE 9 9.441 9.915 -2.880 65 HD12 ILE 9 2HD1 ILE 9 9.668 11.024 -1.528 66 HD13 ILE 9 3HD1 ILE 9 8.320 9.886 -1.519 67 H ARG 10 H ARG 10 6.464 12.437 -4.969 68 HA ARG 10 HA ARG 10 8.370 12.647 -7.037 69 HB2 ARG 10 2HB ARG 10 6.928 10.726 -6.937 70 HB3 ARG 10 3HB ARG 10 5.492 11.735 -7.059 71 HG2 ARG 10 2HG ARG 10 5.885 10.665 -9.166 72 HG3 ARG 10 3HG ARG 10 6.196 12.394 -9.334 73 HD2 ARG 10 2HD ARG 10 8.655 11.444 -8.630 74 HD3 ARG 10 3HD ARG 10 8.016 10.113 -9.595 75 HE ARG 10 HE ARG 10 7.634 12.618 -10.887 76 HH11 ARG 10 1HH1 ARG 10 10.015 10.174 -10.201 77 HH12 ARG 10 2HH1 ARG 10 10.977 10.533 -11.597 78 HH21 ARG 10 1HH2 ARG 10 8.891 13.101 -12.728 79 HH22 ARG 10 2HH2 ARG 10 10.337 12.200 -13.033 80 H GLU 11 H GLU 11 5.182 14.164 -6.614 81 HA GLU 11 HA GLU 11 5.258 15.642 -9.024 82 HB2 GLU 11 2HB GLU 11 3.480 15.331 -6.793 83 HB3 GLU 11 3HB GLU 11 3.673 17.043 -7.145 84 HG2 GLU 11 2HG GLU 11 2.726 16.867 -9.225 85 HG3 GLU 11 3HG GLU 11 3.132 15.159 -9.385 86 H ALA 12 H ALA 12 6.304 16.341 -5.737 87 HA ALA 12 HA ALA 12 6.803 19.092 -6.063 88 HB1 ALA 12 1HB ALA 12 6.759 17.575 -3.926 89 HB2 ALA 12 2HB ALA 12 8.491 17.452 -4.235 90 HB3 ALA 12 3HB ALA 12 7.752 19.032 -3.974 91 H PHE 13 H PHE 13 9.082 16.346 -6.150 92 HA PHE 13 HA PHE 13 11.327 17.828 -6.920 93 HB2 PHE 13 2HB PHE 13 11.602 15.602 -6.052 94 HB3 PHE 13 3HB PHE 13 10.640 14.919 -7.358 95 HD1 PHE 13 HD1 PHE 13 11.947 13.618 -8.717 96 HD2 PHE 13 HD2 PHE 13 13.512 17.300 -7.265 97 HE1 PHE 13 HE1 PHE 13 13.992 13.266 -10.039 98 HE2 PHE 13 HE2 PHE 13 15.559 16.955 -8.586 99 HZ PHE 13 HZ PHE 13 15.801 14.937 -9.976 100 H ASN 14 H ASN 14 8.721 16.427 -8.791 101 HA ASN 14 HA ASN 14 9.929 16.648 -11.339 102 HB2 ASN 14 2HB ASN 14 7.928 15.246 -10.834 103 HB3 ASN 14 3HB ASN 14 6.978 16.721 -10.677 104 HD21 ASN 14 1HD2 ASN 14 5.618 16.277 -12.361 105 HD22 ASN 14 2HD2 ASN 14 6.127 16.271 -14.012 106 H LEU 15 H LEU 15 7.767 18.795 -9.522 107 HA LEU 15 HA LEU 15 7.559 20.779 -11.523 108 HB2 LEU 15 2HB LEU 15 6.824 20.471 -8.713 109 HB3 LEU 15 3HB LEU 15 7.222 22.129 -9.159 110 HG LEU 15 HG LEU 15 4.797 21.592 -9.276 111 HD11 LEU 15 1HD1 LEU 15 5.471 22.138 -12.081 112 HD12 LEU 15 2HD1 LEU 15 6.287 23.163 -10.901 113 HD13 LEU 15 3HD1 LEU 15 4.526 23.084 -10.931 114 HD21 LEU 15 1HD2 LEU 15 5.070 20.178 -11.826 115 HD22 LEU 15 2HD2 LEU 15 3.954 19.906 -10.488 116 HD23 LEU 15 3HD2 LEU 15 5.590 19.250 -10.419 117 H PHE 16 H PHE 16 9.576 20.611 -8.591 118 HA PHE 16 HA PHE 16 10.949 23.005 -8.930 119 HB2 PHE 16 2HB PHE 16 11.837 20.410 -7.662 120 HB3 PHE 16 3HB PHE 16 12.753 21.909 -7.553 121 HD1 PHE 16 HD1 PHE 16 11.017 19.963 -5.557 122 HD2 PHE 16 HD2 PHE 16 10.711 23.915 -7.108 123 HE1 PHE 16 HE1 PHE 16 9.686 20.625 -3.596 124 HE2 PHE 16 HE2 PHE 16 9.381 24.584 -5.149 125 HZ PHE 16 HZ PHE 16 8.868 22.939 -3.389 126 H ASP 17 H ASP 17 11.698 19.775 -10.173 127 HA ASP 17 HA ASP 17 14.142 20.544 -11.418 128 HB2 ASP 17 2HB ASP 17 13.464 18.191 -10.755 129 HB3 ASP 17 3HB ASP 17 12.416 18.184 -12.171 130 H ALA 18 H ALA 18 10.805 20.673 -12.336 131 HA ALA 18 HA ALA 18 10.947 20.698 -15.102 132 HB1 ALA 18 1HB ALA 18 9.126 22.610 -13.715 133 HB2 ALA 18 2HB ALA 18 8.813 21.553 -15.092 134 HB3 ALA 18 3HB ALA 18 8.915 20.877 -13.467 135 H ASP 19 H ASP 19 11.909 23.131 -12.809 136 HA ASP 19 HA ASP 19 11.918 25.421 -14.364 137 HB2 ASP 19 2HB ASP 19 12.433 25.461 -11.981 138 HB3 ASP 19 3HB ASP 19 13.926 24.571 -12.267 139 H GLY 20 H GLY 20 14.039 22.661 -14.468 140 HA2 GLY 20 2HA GLY 20 15.431 22.044 -16.232 141 HA3 GLY 20 3HA GLY 20 15.187 23.631 -16.946 142 H SER 21 H SER 21 16.123 23.426 -13.625 143 HA SER 21 HA SER 21 18.767 24.481 -14.356 144 HB2 SER 21 2HB SER 21 16.955 24.902 -12.010 145 HB3 SER 21 3HB SER 21 18.692 25.117 -11.800 146 HG SER 21 HG SER 21 17.369 27.013 -12.475 147 H GLY 22 H GLY 22 20.631 23.797 -13.160 148 HA2 GLY 22 2HA GLY 22 20.739 20.985 -12.786 149 HA3 GLY 22 3HA GLY 22 22.025 22.126 -12.421 150 H ALA 23 H ALA 23 20.160 23.638 -10.621 151 HA ALA 23 HA ALA 23 19.654 21.760 -8.465 152 HB1 ALA 23 1HB ALA 23 22.115 22.566 -8.414 153 HB2 ALA 23 2HB ALA 23 21.430 24.077 -7.815 154 HB3 ALA 23 3HB ALA 23 21.173 22.578 -6.922 155 H ILE 24 H ILE 24 18.643 22.853 -6.572 156 HA ILE 24 HA ILE 24 17.088 25.196 -7.453 157 HB ILE 24 HB ILE 24 16.200 23.130 -5.442 158 HG12 ILE 24 2HG1 ILE 24 14.611 22.989 -7.763 159 HG13 ILE 24 3HG1 ILE 24 16.279 22.996 -8.323 160 HG21 ILE 24 1HG2 ILE 24 15.298 25.673 -5.823 161 HG22 ILE 24 2HG2 ILE 24 14.220 24.747 -6.866 162 HG23 ILE 24 3HG2 ILE 24 14.344 24.351 -5.152 163 HD11 ILE 24 1HD1 ILE 24 16.765 21.106 -6.841 164 HD12 ILE 24 2HD1 ILE 24 15.076 21.087 -6.334 165 HD13 ILE 24 3HD1 ILE 24 15.498 20.735 -8.010 166 H ASP 25 H ASP 25 17.309 26.999 -6.309 167 HA ASP 25 HA ASP 25 18.811 26.908 -3.808 168 HB2 ASP 25 2HB ASP 25 17.925 29.275 -5.472 169 HB3 ASP 25 3HB ASP 25 18.978 29.348 -4.062 170 H ALA 26 H ALA 26 18.062 28.721 -2.196 171 HA ALA 26 HA ALA 26 15.605 27.885 -1.107 172 HB1 ALA 26 1HB ALA 26 17.356 30.257 -0.508 173 HB2 ALA 26 2HB ALA 26 15.907 29.865 0.419 174 HB3 ALA 26 3HB ALA 26 17.256 28.730 0.369 175 H GLU 27 H GLU 27 16.500 30.757 -2.976 176 HA GLU 27 HA GLU 27 14.086 32.147 -2.765 177 HB2 GLU 27 2HB GLU 27 14.780 33.271 -4.874 178 HB3 GLU 27 3HB GLU 27 16.043 33.232 -3.652 179 HG2 GLU 27 2HG GLU 27 16.825 31.095 -4.889 180 HG3 GLU 27 3HG GLU 27 15.851 31.721 -6.217 181 H GLU 28 H GLU 28 15.119 29.662 -5.060 182 HA GLU 28 HA GLU 28 12.857 29.795 -6.740 183 HB2 GLU 28 2HB GLU 28 15.176 28.068 -6.407 184 HB3 GLU 28 3HB GLU 28 13.738 27.162 -6.855 185 HG2 GLU 28 2HG GLU 28 14.863 27.741 -8.855 186 HG3 GLU 28 3HG GLU 28 13.423 28.752 -8.753 187 H MET 29 H MET 29 13.610 27.760 -3.933 188 HA MET 29 HA MET 29 11.327 26.150 -3.998 189 HB2 MET 29 2HB MET 29 13.512 26.611 -2.226 190 HB3 MET 29 3HB MET 29 12.029 26.642 -1.282 191 HG2 MET 29 2HG MET 29 11.420 24.454 -2.080 192 HG3 MET 29 3HG MET 29 12.811 24.427 -3.161 193 HE1 MET 29 1HE MET 29 12.462 22.439 0.553 194 HE2 MET 29 2HE MET 29 12.040 24.086 1.024 195 HE3 MET 29 3HE MET 29 11.242 23.331 -0.356 196 H ALA 30 H ALA 30 11.902 29.241 -2.348 197 HA ALA 30 HA ALA 30 9.381 29.411 -1.099 198 HB1 ALA 30 1HB ALA 30 10.536 31.986 -1.807 199 HB2 ALA 30 2HB ALA 30 10.200 31.292 -0.220 200 HB3 ALA 30 3HB ALA 30 11.700 30.892 -1.058 201 H LEU 31 H LEU 31 10.571 30.611 -4.211 202 HA LEU 31 HA LEU 31 8.331 32.097 -4.963 203 HB2 LEU 31 2HB LEU 31 10.754 31.453 -6.089 204 HB3 LEU 31 3HB LEU 31 9.603 30.657 -7.160 205 HG LEU 31 HG LEU 31 10.092 32.794 -8.083 206 HD11 LEU 31 1HD1 LEU 31 7.640 31.957 -7.829 207 HD12 LEU 31 2HD1 LEU 31 7.956 33.590 -8.414 208 HD13 LEU 31 3HD1 LEU 31 7.483 33.332 -6.735 209 HD21 LEU 31 1HD2 LEU 31 10.647 34.560 -6.860 210 HD22 LEU 31 2HD2 LEU 31 10.413 33.580 -5.413 211 HD23 LEU 31 3HD2 LEU 31 9.082 34.549 -6.047 212 H ALA 32 H ALA 32 9.151 28.743 -5.866 213 HA ALA 32 HA ALA 32 6.795 28.151 -7.227 214 HB1 ALA 32 1HB ALA 32 8.293 26.501 -7.599 215 HB2 ALA 32 2HB ALA 32 8.952 26.578 -5.964 216 HB3 ALA 32 3HB ALA 32 7.434 25.732 -6.264 217 H MET 33 H MET 33 7.600 27.631 -3.800 218 HA MET 33 HA MET 33 5.268 26.380 -2.989 219 HB2 MET 33 2HB MET 33 7.344 28.023 -1.653 220 HB3 MET 33 3HB MET 33 5.829 27.813 -0.785 221 HG2 MET 33 2HG MET 33 6.070 25.397 -0.918 222 HG3 MET 33 3HG MET 33 7.570 25.589 -1.823 223 HE1 MET 33 1HE MET 33 9.720 25.521 -0.880 224 HE2 MET 33 2HE MET 33 9.660 27.254 -0.560 225 HE3 MET 33 3HE MET 33 10.229 26.146 0.689 226 H LYS 34 H LYS 34 5.954 29.844 -3.268 227 HA LYS 34 HA LYS 34 3.495 30.747 -2.216 228 HB2 LYS 34 2HB LYS 34 5.374 32.251 -2.365 229 HB3 LYS 34 3HB LYS 34 5.452 32.054 -4.111 230 HG2 LYS 34 2HG LYS 34 2.864 33.004 -3.143 231 HG3 LYS 34 3HG LYS 34 4.208 34.097 -2.806 232 HD2 LYS 34 2HD LYS 34 4.315 34.731 -4.939 233 HD3 LYS 34 3HD LYS 34 4.372 33.056 -5.492 234 HE2 LYS 34 2HE LYS 34 1.898 32.956 -5.230 235 HE3 LYS 34 3HE LYS 34 1.912 34.678 -4.852 236 HZ1 LYS 34 1HZ LYS 34 2.968 33.536 -7.379 237 HZ2 LYS 34 2HZ LYS 34 2.737 35.171 -7.014 238 HZ3 LYS 34 3HZ LYS 34 1.402 34.151 -7.207 239 H GLY 35 H GLY 35 4.591 30.373 -5.590 240 HA2 GLY 35 2HA GLY 35 2.278 31.178 -6.882 241 HA3 GLY 35 3HA GLY 35 3.403 29.986 -7.518 242 H LEU 36 H LEU 36 3.041 28.010 -5.513 243 HA LEU 36 HA LEU 36 0.619 26.814 -6.500 244 HB2 LEU 36 2HB LEU 36 2.558 25.823 -4.414 245 HB3 LEU 36 3HB LEU 36 1.290 24.872 -5.185 246 HG LEU 36 HG LEU 36 3.648 26.068 -6.638 247 HD11 LEU 36 1HD1 LEU 36 3.941 24.130 -4.856 248 HD12 LEU 36 2HD1 LEU 36 4.813 24.131 -6.388 249 HD13 LEU 36 3HD1 LEU 36 3.361 23.148 -6.201 250 HD21 LEU 36 1HD2 LEU 36 1.336 24.346 -7.435 251 HD22 LEU 36 2HD2 LEU 36 2.871 24.233 -8.295 252 HD23 LEU 36 3HD2 LEU 36 2.003 25.767 -8.238 253 H GLY 37 H GLY 37 1.611 28.518 -3.650 254 HA2 GLY 37 2HA GLY 37 0.402 29.276 -1.850 255 HA3 GLY 37 3HA GLY 37 -1.049 28.827 -2.733 256 H PHE 38 H PHE 38 1.359 26.420 -2.108 257 HA PHE 38 HA PHE 38 -0.240 25.363 0.121 258 HB2 PHE 38 2HB PHE 38 0.263 24.146 -2.495 259 HB3 PHE 38 3HB PHE 38 0.682 23.095 -1.146 260 HD1 PHE 38 HD1 PHE 38 -2.009 24.728 -2.963 261 HD2 PHE 38 HD2 PHE 38 -1.028 22.358 0.434 262 HE1 PHE 38 HE1 PHE 38 -4.382 24.137 -2.694 263 HE2 PHE 38 HE2 PHE 38 -3.400 21.762 0.707 264 HZ PHE 38 HZ PHE 38 -5.080 22.651 -0.858 265 H GLY 39 H GLY 39 0.887 24.356 1.745 266 HA2 GLY 39 2HA GLY 39 2.689 23.863 3.078 267 HA3 GLY 39 3HA GLY 39 3.501 23.374 1.599 268 H ASP 40 H ASP 40 2.345 26.573 2.614 269 HA ASP 40 HA ASP 40 4.871 27.747 1.864 270 HB2 ASP 40 2HB ASP 40 2.590 28.812 1.503 271 HB3 ASP 40 3HB ASP 40 2.568 29.135 3.234 272 H LEU 41 H LEU 41 6.545 27.512 3.199 273 HA LEU 41 HA LEU 41 6.086 27.679 6.096 274 HB2 LEU 41 2HB LEU 41 8.179 26.392 4.402 275 HB3 LEU 41 3HB LEU 41 8.567 26.851 6.059 276 HG LEU 41 HG LEU 41 7.949 24.487 5.872 277 HD11 LEU 41 1HD1 LEU 41 6.294 24.450 7.663 278 HD12 LEU 41 2HD1 LEU 41 5.923 26.148 7.366 279 HD13 LEU 41 3HD1 LEU 41 7.520 25.685 7.954 280 HD21 LEU 41 1HD2 LEU 41 5.679 23.834 5.319 281 HD22 LEU 41 2HD2 LEU 41 6.410 24.701 3.968 282 HD23 LEU 41 3HD2 LEU 41 5.246 25.517 5.014 283 HA PRO 42 HA PRO 42 8.163 31.523 6.500 284 HB2 PRO 42 2HB PRO 42 9.549 31.186 8.810 285 HB3 PRO 42 3HB PRO 42 7.792 31.372 8.763 286 HG2 PRO 42 2HG PRO 42 9.426 28.875 8.998 287 HG3 PRO 42 3HG PRO 42 7.954 29.335 9.872 288 HD2 PRO 42 2HD PRO 42 7.926 27.632 7.767 289 HD3 PRO 42 3HD PRO 42 6.576 28.728 8.126 290 H ARG 43 H ARG 43 10.308 32.569 6.709 291 HA ARG 43 HA ARG 43 12.181 31.441 4.946 292 HB2 ARG 43 2HB ARG 43 13.626 33.318 5.561 293 HB3 ARG 43 3HB ARG 43 11.973 33.856 5.294 294 HG2 ARG 43 2HG ARG 43 12.339 34.976 7.210 295 HG3 ARG 43 3HG ARG 43 11.880 33.435 7.938 296 HD2 ARG 43 2HD ARG 43 14.522 33.030 7.543 297 HD3 ARG 43 3HD ARG 43 14.501 34.772 7.814 298 HE ARG 43 HE ARG 43 14.148 32.750 9.769 299 HH11 ARG 43 1HH1 ARG 43 13.059 35.930 8.863 300 HH12 ARG 43 2HH1 ARG 43 12.661 36.398 10.483 301 HH21 ARG 43 1HH2 ARG 43 13.630 33.355 11.907 302 HH22 ARG 43 2HH2 ARG 43 12.988 34.933 12.214 303 H ASP 44 H ASP 44 12.028 31.537 8.466 304 HA ASP 44 HA ASP 44 14.592 30.616 9.056 305 HB2 ASP 44 2HB ASP 44 13.746 30.034 11.222 306 HB3 ASP 44 3HB ASP 44 12.900 31.488 10.701 307 H GLU 45 H GLU 45 11.669 28.849 8.185 308 HA GLU 45 HA GLU 45 12.712 26.261 8.710 309 HB2 GLU 45 2HB GLU 45 10.269 26.889 8.486 310 HB3 GLU 45 3HB GLU 45 10.525 26.947 6.747 311 HG2 GLU 45 2HG GLU 45 11.399 24.482 8.103 312 HG3 GLU 45 3HG GLU 45 9.662 24.775 8.058 313 H VAL 46 H VAL 46 12.790 28.403 5.946 314 HA VAL 46 HA VAL 46 13.646 26.482 4.037 315 HB VAL 46 HB VAL 46 14.084 29.472 4.008 316 HG11 VAL 46 1HG1 VAL 46 14.404 27.315 1.960 317 HG12 VAL 46 2HG1 VAL 46 13.997 28.960 1.467 318 HG13 VAL 46 3HG1 VAL 46 15.487 28.649 2.359 319 HG21 VAL 46 1HG2 VAL 46 11.693 27.888 3.731 320 HG22 VAL 46 2HG2 VAL 46 11.877 29.641 3.778 321 HG23 VAL 46 3HG2 VAL 46 12.030 28.779 2.247 322 H GLU 47 H GLU 47 15.439 29.027 5.781 323 HA GLU 47 HA GLU 47 17.985 28.259 4.872 324 HB2 GLU 47 2HB GLU 47 18.841 29.599 6.777 325 HB3 GLU 47 3HB GLU 47 17.632 30.448 5.824 326 HG2 GLU 47 2HG GLU 47 16.868 30.949 7.893 327 HG3 GLU 47 3HG GLU 47 16.009 29.430 7.647 328 H ARG 48 H ARG 48 16.119 27.318 7.718 329 HA ARG 48 HA ARG 48 18.138 25.859 9.022 330 HB2 ARG 48 2HB ARG 48 16.144 26.490 10.214 331 HB3 ARG 48 3HB ARG 48 15.132 25.588 9.095 332 HG2 ARG 48 2HG ARG 48 15.817 23.526 9.950 333 HG3 ARG 48 3HG ARG 48 17.226 24.228 10.750 334 HD2 ARG 48 2HD ARG 48 14.553 25.228 11.557 335 HD3 ARG 48 3HD ARG 48 14.994 23.597 12.061 336 HE ARG 48 HE ARG 48 17.115 25.327 12.661 337 HH11 ARG 48 1HH1 ARG 48 13.841 24.678 13.650 338 HH12 ARG 48 2HH1 ARG 48 14.084 25.230 15.274 339 HH21 ARG 48 1HH2 ARG 48 17.448 26.056 14.796 340 HH22 ARG 48 2HH2 ARG 48 16.136 26.015 15.925 341 H THR 49 H THR 49 15.576 24.802 6.794 342 HA THR 49 HA THR 49 16.216 22.075 6.788 343 HB THR 49 HB THR 49 14.974 23.721 4.575 344 HG1 THR 49 HG1 THR 49 13.061 22.531 5.568 345 HG21 THR 49 1HG2 THR 49 14.017 21.094 4.496 346 HG22 THR 49 2HG2 THR 49 15.765 20.948 4.684 347 HG23 THR 49 3HG2 THR 49 15.096 21.870 3.337 348 H VAL 50 H VAL 50 17.335 24.720 4.710 349 HA VAL 50 HA VAL 50 18.864 23.159 2.940 350 HB VAL 50 HB VAL 50 19.295 26.034 3.764 351 HG11 VAL 50 1HG1 VAL 50 20.624 24.275 1.800 352 HG12 VAL 50 2HG1 VAL 50 20.216 25.899 1.246 353 HG13 VAL 50 3HG1 VAL 50 21.240 25.682 2.665 354 HG21 VAL 50 1HG2 VAL 50 18.123 25.483 1.149 355 HG22 VAL 50 2HG2 VAL 50 17.114 24.954 2.496 356 HG23 VAL 50 3HG2 VAL 50 17.634 26.636 2.391 357 H ARG 51 H ARG 51 19.666 24.700 6.016 358 HA ARG 51 HA ARG 51 22.440 24.176 5.940 359 HB2 ARG 51 2HB ARG 51 21.195 25.791 7.469 360 HB3 ARG 51 3HB ARG 51 20.777 24.389 8.445 361 HG2 ARG 51 2HG ARG 51 23.626 24.597 7.832 362 HG3 ARG 51 3HG ARG 51 22.988 25.942 8.779 363 HD2 ARG 51 2HD ARG 51 22.463 23.069 9.492 364 HD3 ARG 51 3HD ARG 51 23.881 23.942 10.071 365 HE ARG 51 HE ARG 51 21.203 24.192 11.027 366 HH11 ARG 51 1HH1 ARG 51 24.191 25.915 10.554 367 HH12 ARG 51 2HH1 ARG 51 23.886 27.055 11.823 368 HH21 ARG 51 1HH2 ARG 51 20.790 25.686 12.700 369 HH22 ARG 51 2HH2 ARG 51 21.952 26.923 13.044 370 H SER 52 H SER 52 19.700 22.372 7.264 371 HA SER 52 HA SER 52 21.214 20.331 8.494 372 HB2 SER 52 2HB SER 52 18.397 20.131 7.406 373 HB3 SER 52 3HB SER 52 19.127 19.099 8.636 374 HG SER 52 HG SER 52 17.732 21.102 9.192 375 H MET 53 H MET 53 19.595 20.484 5.331 376 HA MET 53 HA MET 53 20.398 17.911 4.481 377 HB2 MET 53 2HB MET 53 19.566 20.353 2.909 378 HB3 MET 53 3HB MET 53 19.828 18.769 2.192 379 HG2 MET 53 2HG MET 53 18.070 17.861 3.683 380 HG3 MET 53 3HG MET 53 17.760 19.501 4.249 381 HE1 MET 53 1HE MET 53 18.098 20.982 0.957 382 HE2 MET 53 2HE MET 53 16.397 21.346 1.250 383 HE3 MET 53 3HE MET 53 17.555 21.414 2.579 384 H ASN 54 H ASN 54 21.552 21.072 3.286 385 HA ASN 54 HA ASN 54 23.963 19.848 2.264 386 HB2 ASN 54 2HB ASN 54 22.667 21.737 1.136 387 HB3 ASN 54 3HB ASN 54 23.353 22.801 2.360 388 HD21 ASN 54 1HD2 ASN 54 24.116 23.764 0.247 389 HD22 ASN 54 2HD2 ASN 54 25.659 23.237 -0.326 390 H THR 55 H THR 55 25.364 19.249 3.820 391 HA THR 55 HA THR 55 25.764 20.389 6.304 392 HB THR 55 HB THR 55 26.718 18.230 5.756 393 HG1 THR 55 HG1 THR 55 27.873 19.068 7.395 394 HG21 THR 55 1HG2 THR 55 27.316 18.866 3.387 395 HG22 THR 55 2HG2 THR 55 28.530 17.917 4.244 396 HG23 THR 55 3HG2 THR 55 28.749 19.655 4.044 397 H ASN 56 H ASN 56 27.032 21.363 3.193 398 HA ASN 56 HA ASN 56 28.431 23.597 4.513 399 HB2 ASN 56 2HB ASN 56 29.114 22.105 1.977 400 HB3 ASN 56 3HB ASN 56 29.839 23.654 2.399 401 HD21 ASN 56 1HD2 ASN 56 30.404 20.486 2.406 402 HD22 ASN 56 2HD2 ASN 56 31.468 20.353 3.761 403 H ALA 57 H ALA 57 26.942 25.197 4.425 404 HA ALA 57 HA ALA 57 25.093 25.629 2.362 405 HB1 ALA 57 1HB ALA 57 26.175 27.827 4.096 406 HB2 ALA 57 2HB ALA 57 24.551 27.641 3.432 407 HB3 ALA 57 3HB ALA 57 25.099 26.582 4.732 408 H ASN 58 H ASN 58 25.933 25.680 0.322 409 HA ASN 58 HA ASN 58 27.848 27.845 -0.258 410 HB2 ASN 58 2HB ASN 58 28.092 25.095 -0.795 411 HB3 ASN 58 3HB ASN 58 27.739 25.853 -2.345 412 HD21 ASN 58 1HD2 ASN 58 29.122 27.577 -3.051 413 HD22 ASN 58 2HD2 ASN 58 30.771 27.621 -2.537 414 H GLY 59 H GLY 59 24.741 27.427 -0.309 415 HA2 GLY 59 2HA GLY 59 23.085 28.548 -1.468 416 HA3 GLY 59 3HA GLY 59 24.320 29.168 -2.553 417 H LEU 60 H LEU 60 24.203 25.763 -2.076 418 HA LEU 60 HA LEU 60 22.619 25.383 -4.512 419 HB2 LEU 60 2HB LEU 60 25.361 25.298 -4.544 420 HB3 LEU 60 3HB LEU 60 24.928 23.603 -4.327 421 HG LEU 60 HG LEU 60 23.342 24.078 -6.370 422 HD11 LEU 60 1HD1 LEU 60 24.462 26.564 -6.141 423 HD12 LEU 60 2HD1 LEU 60 23.693 25.916 -7.590 424 HD13 LEU 60 3HD1 LEU 60 25.444 25.819 -7.402 425 HD21 LEU 60 1HD2 LEU 60 25.016 23.203 -7.820 426 HD22 LEU 60 2HD2 LEU 60 25.286 22.505 -6.223 427 HD23 LEU 60 3HD2 LEU 60 26.313 23.821 -6.796 428 H ILE 61 H ILE 61 21.369 23.580 -4.521 429 HA ILE 61 HA ILE 61 21.634 21.767 -2.210 430 HB ILE 61 HB ILE 61 19.086 22.586 -3.611 431 HG12 ILE 61 2HG1 ILE 61 19.946 23.188 -0.779 432 HG13 ILE 61 3HG1 ILE 61 20.188 24.308 -2.115 433 HG21 ILE 61 1HG2 ILE 61 19.741 20.485 -1.636 434 HG22 ILE 61 2HG2 ILE 61 18.257 21.397 -1.365 435 HG23 ILE 61 3HG2 ILE 61 18.492 20.525 -2.880 436 HD11 ILE 61 1HD1 ILE 61 18.156 25.101 -1.782 437 HD12 ILE 61 2HD1 ILE 61 17.482 23.517 -2.168 438 HD13 ILE 61 3HD1 ILE 61 17.885 23.921 -0.500 439 H GLU 62 H GLU 62 21.799 19.649 -2.618 440 HA GLU 62 HA GLU 62 21.847 18.777 -5.384 441 HB2 GLU 62 2HB GLU 62 22.709 17.599 -2.771 442 HB3 GLU 62 3HB GLU 62 22.470 16.541 -4.155 443 HG2 GLU 62 2HG GLU 62 24.015 18.761 -5.005 444 HG3 GLU 62 3HG GLU 62 24.716 18.139 -3.512 445 H TYR 63 H TYR 63 20.476 17.329 -6.325 446 HA TYR 63 HA TYR 63 17.831 17.180 -5.407 447 HB2 TYR 63 2HB TYR 63 17.471 15.590 -7.238 448 HB3 TYR 63 3HB TYR 63 18.436 16.961 -7.775 449 HD1 TYR 63 HD1 TYR 63 20.823 16.684 -8.270 450 HD2 TYR 63 HD2 TYR 63 18.399 13.370 -7.154 451 HE1 TYR 63 HE1 TYR 63 22.555 15.146 -9.097 452 HE2 TYR 63 HE2 TYR 63 20.126 11.823 -7.977 453 HH TYR 63 HH TYR 63 23.236 12.692 -8.584 454 H GLY 64 H GLY 64 20.528 14.922 -5.141 455 HA2 GLY 64 2HA GLY 64 19.101 12.704 -4.171 456 HA3 GLY 64 3HA GLY 64 20.807 13.020 -3.888 457 H GLU 65 H GLU 65 20.872 15.209 -2.354 458 HA GLU 65 HA GLU 65 20.128 14.230 0.190 459 HB2 GLU 65 2HB GLU 65 21.028 16.987 -0.663 460 HB3 GLU 65 3HB GLU 65 20.868 16.465 1.008 461 HG2 GLU 65 2HG GLU 65 22.765 15.378 -1.057 462 HG3 GLU 65 3HG GLU 65 23.169 16.341 0.363 463 H PHE 66 H PHE 66 18.614 16.431 -2.061 464 HA PHE 66 HA PHE 66 16.765 17.626 -0.308 465 HB2 PHE 66 2HB PHE 66 17.247 18.498 -2.560 466 HB3 PHE 66 3HB PHE 66 16.482 17.081 -3.271 467 HD1 PHE 66 HD1 PHE 66 14.249 17.164 -3.836 468 HD2 PHE 66 HD2 PHE 66 15.763 19.904 -0.953 469 HE1 PHE 66 HE1 PHE 66 12.074 18.315 -3.794 470 HE2 PHE 66 HE2 PHE 66 13.591 21.059 -0.905 471 HZ PHE 66 HZ PHE 66 11.743 20.264 -2.326 472 H GLU 67 H GLU 67 16.256 14.964 -2.631 473 HA GLU 67 HA GLU 67 13.672 14.313 -1.726 474 HB2 GLU 67 2HB GLU 67 13.930 12.252 -3.002 475 HB3 GLU 67 3HB GLU 67 14.539 13.623 -3.918 476 HG2 GLU 67 2HG GLU 67 16.835 13.011 -3.177 477 HG3 GLU 67 3HG GLU 67 16.156 11.554 -2.453 478 H ARG 68 H ARG 68 16.867 13.180 -0.778 479 HA ARG 68 HA ARG 68 16.100 10.994 0.790 480 HB2 ARG 68 2HB ARG 68 18.445 11.635 0.068 481 HB3 ARG 68 3HB ARG 68 18.436 12.810 1.376 482 HG2 ARG 68 2HG ARG 68 17.694 10.570 2.701 483 HG3 ARG 68 3HG ARG 68 18.746 9.896 1.455 484 HD2 ARG 68 2HD ARG 68 19.668 12.301 2.943 485 HD3 ARG 68 3HD ARG 68 19.702 10.743 3.767 486 HE ARG 68 HE ARG 68 20.900 10.478 1.239 487 HH11 ARG 68 1HH1 ARG 68 21.466 11.955 4.341 488 HH12 ARG 68 2HH1 ARG 68 23.192 11.882 4.207 489 HH21 ARG 68 1HH2 ARG 68 23.171 10.376 1.051 490 HH22 ARG 68 2HH2 ARG 68 24.161 10.985 2.335 491 H MET 69 H MET 69 16.551 14.405 1.662 492 HA MET 69 HA MET 69 15.961 14.069 4.412 493 HB2 MET 69 2HB MET 69 17.178 16.015 3.671 494 HB3 MET 69 3HB MET 69 15.849 16.505 2.630 495 HG2 MET 69 2HG MET 69 15.849 17.883 4.578 496 HG3 MET 69 3HG MET 69 14.446 16.818 4.640 497 HE1 MET 69 1HE MET 69 18.365 16.403 5.831 498 HE2 MET 69 2HE MET 69 17.659 18.002 6.069 499 HE3 MET 69 3HE MET 69 18.009 16.976 7.461 500 H VAL 70 H VAL 70 13.995 15.234 1.682 501 HA VAL 70 HA VAL 70 11.637 15.766 3.021 502 HB VAL 70 HB VAL 70 11.909 14.581 0.254 503 HG11 VAL 70 1HG1 VAL 70 9.644 16.130 1.508 504 HG12 VAL 70 2HG1 VAL 70 9.729 15.606 -0.175 505 HG13 VAL 70 3HG1 VAL 70 9.635 14.411 1.119 506 HG21 VAL 70 1HG2 VAL 70 12.654 16.554 -0.453 507 HG22 VAL 70 2HG2 VAL 70 11.346 17.405 0.368 508 HG23 VAL 70 3HG2 VAL 70 12.834 17.028 1.236 509 H LYS 71 H LYS 71 12.822 12.677 1.766 510 HA LYS 71 HA LYS 71 10.496 11.180 2.351 511 HB2 LYS 71 2HB LYS 71 12.562 10.598 0.865 512 HB3 LYS 71 3HB LYS 71 13.242 9.971 2.360 513 HG2 LYS 71 2HG LYS 71 10.508 9.085 1.675 514 HG3 LYS 71 3HG LYS 71 11.822 8.482 0.662 515 HD2 LYS 71 2HD LYS 71 11.924 8.352 3.664 516 HD3 LYS 71 3HD LYS 71 11.180 7.079 2.693 517 HE2 LYS 71 2HE LYS 71 13.478 7.231 1.392 518 HE3 LYS 71 3HE LYS 71 14.038 7.870 2.937 519 HZ1 LYS 71 1HZ LYS 71 13.331 5.885 4.032 520 HZ2 LYS 71 2HZ LYS 71 14.290 5.437 2.713 521 HZ3 LYS 71 3HZ LYS 71 12.607 5.288 2.624 522 H SER 72 H SER 72 13.241 12.167 4.257 523 HA SER 72 HA SER 72 12.837 10.322 6.394 524 HB2 SER 72 2HB SER 72 14.255 12.991 6.516 525 HB3 SER 72 3HB SER 72 14.477 11.616 7.597 526 HG SER 72 HG SER 72 15.613 10.589 6.093 527 H ARG 73 H ARG 73 12.247 13.834 6.157 528 HA ARG 73 HA ARG 73 10.865 14.072 8.582 529 HB2 ARG 73 2HB ARG 73 9.982 16.199 7.621 530 HB3 ARG 73 3HB ARG 73 11.728 16.032 7.489 531 HG2 ARG 73 2HG ARG 73 11.549 15.458 5.162 532 HG3 ARG 73 3HG ARG 73 9.788 15.440 5.266 533 HD2 ARG 73 2HD ARG 73 11.594 17.827 5.633 534 HD3 ARG 73 3HD ARG 73 10.534 17.510 4.259 535 HE ARG 73 HE ARG 73 9.787 18.601 6.803 536 HH11 ARG 73 1HH1 ARG 73 8.669 16.802 4.040 537 HH12 ARG 73 2HH1 ARG 73 7.009 17.247 4.259 538 HH21 ARG 73 1HH2 ARG 73 7.605 19.193 7.102 539 HH22 ARG 73 2HH2 ARG 73 6.405 18.607 6.001 540 H MET 74 H MET 74 9.771 13.232 5.351 541 HA MET 74 HA MET 74 6.989 13.428 5.895 542 HB2 MET 74 2HB MET 74 8.629 12.138 3.742 543 HB3 MET 74 3HB MET 74 6.902 11.822 3.839 544 HG2 MET 74 2HG MET 74 7.676 14.654 3.956 545 HG3 MET 74 3HG MET 74 8.005 13.834 2.431 546 HE1 MET 74 1HE MET 74 4.827 13.225 4.953 547 HE2 MET 74 2HE MET 74 5.510 14.847 5.078 548 HE3 MET 74 3HE MET 74 3.919 14.613 4.352 549 H ALA 75 H ALA 75 9.370 10.879 6.237 550 HA ALA 75 HA ALA 75 7.755 8.651 6.510 551 HB1 ALA 75 1HB ALA 75 10.241 9.223 8.117 552 HB2 ALA 75 2HB ALA 75 9.554 7.640 7.750 553 HB3 ALA 75 3HB ALA 75 10.231 8.628 6.456 554 H GLN 76 H GLN 76 8.459 11.191 8.838 555 HA GLN 76 HA GLN 76 7.313 9.902 11.088 556 HB2 GLN 76 2HB GLN 76 8.851 11.721 11.422 557 HB3 GLN 76 3HB GLN 76 7.835 12.816 10.495 558 HG2 GLN 76 2HG GLN 76 7.755 13.079 12.992 559 HG3 GLN 76 3HG GLN 76 6.200 12.896 12.184 560 HE21 GLN 76 1HE2 GLN 76 8.694 10.640 13.324 561 HE22 GLN 76 2HE2 GLN 76 7.621 9.659 14.257 562 H LYS 77 H LYS 77 6.043 12.110 8.645 563 HA LYS 77 HA LYS 77 3.468 12.346 9.884 564 HB2 LYS 77 2HB LYS 77 4.760 13.308 7.399 565 HB3 LYS 77 3HB LYS 77 3.011 13.133 7.343 566 HG2 LYS 77 2HG LYS 77 3.179 15.292 8.046 567 HG3 LYS 77 3HG LYS 77 3.134 14.466 9.605 568 HD2 LYS 77 2HD LYS 77 5.641 14.475 9.578 569 HD3 LYS 77 3HD LYS 77 5.559 15.504 8.146 570 HE2 LYS 77 2HE LYS 77 4.092 16.260 10.643 571 HE3 LYS 77 3HE LYS 77 5.818 16.589 10.491 572 HZ1 LYS 77 1HZ LYS 77 5.448 18.251 9.068 573 HZ2 LYS 77 2HZ LYS 77 3.853 18.219 9.631 574 HZ3 LYS 77 3HZ LYS 77 4.263 17.404 8.206 575 H ASP 78 H ASP 78 1.476 11.543 9.037 576 HA ASP 78 HA ASP 78 1.626 9.330 7.144 577 HB2 ASP 78 2HB ASP 78 1.814 8.670 9.735 578 HB3 ASP 78 3HB ASP 78 0.060 8.772 9.608 579 H SER 79 H SER 79 -0.718 8.409 6.862 580 HA SER 79 HA SER 79 -2.294 10.424 5.769 581 HB2 SER 79 2HB SER 79 -3.856 8.102 6.597 582 HB3 SER 79 3HB SER 79 -3.506 8.700 4.976 583 HG SER 79 HG SER 79 -1.463 7.661 5.134 584 HA PRO 80 HA PRO 80 -4.684 12.153 9.014 585 HB2 PRO 80 2HB PRO 80 -7.130 12.416 7.867 586 HB3 PRO 80 3HB PRO 80 -5.748 13.426 7.426 587 HG2 PRO 80 2HG PRO 80 -6.850 11.012 6.040 588 HG3 PRO 80 3HG PRO 80 -6.286 12.542 5.343 589 HD2 PRO 80 2HD PRO 80 -4.766 10.302 5.359 590 HD3 PRO 80 3HD PRO 80 -4.068 11.930 5.473 591 H GLU 81 H GLU 81 -6.144 9.353 7.415 592 HA GLU 81 HA GLU 81 -7.972 8.803 9.547 593 HB2 GLU 81 2HB GLU 81 -7.039 7.106 7.227 594 HB3 GLU 81 3HB GLU 81 -8.316 6.642 8.343 595 HG2 GLU 81 2HG GLU 81 -8.641 9.275 7.079 596 HG3 GLU 81 3HG GLU 81 -8.730 7.889 5.993 597 H GLU 82 H GLU 82 -4.828 7.528 8.546 598 HA GLU 82 HA GLU 82 -4.639 5.412 10.356 599 HB2 GLU 82 2HB GLU 82 -2.746 7.010 8.749 600 HB3 GLU 82 3HB GLU 82 -2.052 6.202 10.147 601 HG2 GLU 82 2HG GLU 82 -3.764 4.405 8.704 602 HG3 GLU 82 3HG GLU 82 -2.563 5.117 7.628 603 H VAL 83 H VAL 83 -3.419 8.744 10.685 604 HA VAL 83 HA VAL 83 -2.417 8.494 13.283 605 HB VAL 83 HB VAL 83 -3.554 10.960 11.958 606 HG11 VAL 83 1HG1 VAL 83 -1.906 10.571 14.439 607 HG12 VAL 83 2HG1 VAL 83 -1.937 12.102 13.562 608 HG13 VAL 83 3HG1 VAL 83 -3.424 11.450 14.251 609 HG21 VAL 83 1HG2 VAL 83 -1.656 9.716 10.802 610 HG22 VAL 83 2HG2 VAL 83 -1.390 11.423 11.157 611 HG23 VAL 83 3HG2 VAL 83 -0.658 10.186 12.178 612 H LEU 84 H LEU 84 -5.658 9.175 12.114 613 HA LEU 84 HA LEU 84 -6.780 9.997 14.569 614 HB2 LEU 84 2HB LEU 84 -7.656 9.579 11.922 615 HB3 LEU 84 3HB LEU 84 -8.700 8.612 12.961 616 HG LEU 84 HG LEU 84 -8.244 11.588 13.165 617 HD11 LEU 84 1HD1 LEU 84 -10.439 9.894 12.039 618 HD12 LEU 84 2HD1 LEU 84 -9.638 11.299 11.335 619 HD13 LEU 84 3HD1 LEU 84 -10.773 11.508 12.668 620 HD21 LEU 84 1HD2 LEU 84 -9.091 9.719 15.126 621 HD22 LEU 84 2HD2 LEU 84 -10.489 10.682 14.646 622 HD23 LEU 84 3HD2 LEU 84 -9.029 11.478 15.236 623 H LYS 85 H LYS 85 -6.923 6.842 12.913 624 HA LYS 85 HA LYS 85 -8.260 5.447 14.921 625 HB2 LYS 85 2HB LYS 85 -7.935 4.571 12.651 626 HB3 LYS 85 3HB LYS 85 -6.211 4.403 12.957 627 HG2 LYS 85 2HG LYS 85 -7.762 3.041 14.972 628 HG3 LYS 85 3HG LYS 85 -8.182 2.486 13.350 629 HD2 LYS 85 2HD LYS 85 -5.308 2.777 14.115 630 HD3 LYS 85 3HD LYS 85 -6.217 1.364 14.656 631 HE2 LYS 85 2HE LYS 85 -6.153 2.230 11.778 632 HE3 LYS 85 3HE LYS 85 -4.933 1.157 12.464 633 HZ1 LYS 85 1HZ LYS 85 -7.491 0.221 13.166 634 HZ2 LYS 85 2HZ LYS 85 -6.311 -0.540 12.223 635 HZ3 LYS 85 3HZ LYS 85 -7.450 0.477 11.494 636 H ALA 86 H ALA 86 -4.794 5.971 14.430 637 HA ALA 86 HA ALA 86 -3.860 4.313 16.490 638 HB1 ALA 86 1HB ALA 86 -1.824 5.791 16.416 639 HB2 ALA 86 2HB ALA 86 -2.309 5.088 14.872 640 HB3 ALA 86 3HB ALA 86 -2.678 6.776 15.228 641 H PHE 87 H PHE 87 -4.580 7.799 16.498 642 HA PHE 87 HA PHE 87 -3.900 8.307 19.158 643 HB2 PHE 87 2HB PHE 87 -4.309 10.088 17.522 644 HB3 PHE 87 3HB PHE 87 -6.015 9.654 17.466 645 HD1 PHE 87 HD1 PHE 87 -7.459 10.933 18.698 646 HD2 PHE 87 HD2 PHE 87 -3.425 10.551 20.001 647 HE1 PHE 87 HE1 PHE 87 -7.915 12.485 20.553 648 HE2 PHE 87 HE2 PHE 87 -3.874 12.101 21.858 649 HZ PHE 87 HZ PHE 87 -6.121 13.070 22.136 650 H GLN 88 H GLN 88 -7.070 7.508 17.753 651 HA GLN 88 HA GLN 88 -8.574 7.574 20.086 652 HB2 GLN 88 2HB GLN 88 -9.524 7.367 17.814 653 HB3 GLN 88 3HB GLN 88 -8.934 5.713 17.731 654 HG2 GLN 88 2HG GLN 88 -10.542 4.917 19.124 655 HG3 GLN 88 3HG GLN 88 -10.675 6.432 20.016 656 HE21 GLN 88 1HE2 GLN 88 -12.250 7.820 19.503 657 HE22 GLN 88 2HE2 GLN 88 -13.344 7.629 18.180 658 H LEU 89 H LEU 89 -6.767 4.873 18.662 659 HA LEU 89 HA LEU 89 -7.510 2.913 20.518 660 HB2 LEU 89 2HB LEU 89 -6.322 2.584 18.322 661 HB3 LEU 89 3HB LEU 89 -4.844 3.098 19.133 662 HG LEU 89 HG LEU 89 -6.369 0.821 20.295 663 HD11 LEU 89 1HD1 LEU 89 -5.767 0.785 17.607 664 HD12 LEU 89 2HD1 LEU 89 -6.020 -0.624 18.636 665 HD13 LEU 89 3HD1 LEU 89 -4.386 -0.025 18.347 666 HD21 LEU 89 1HD2 LEU 89 -4.436 1.627 21.474 667 HD22 LEU 89 2HD2 LEU 89 -3.452 1.528 20.013 668 HD23 LEU 89 3HD2 LEU 89 -4.059 0.054 20.770 669 H PHE 90 H PHE 90 -4.754 5.147 20.500 670 HA PHE 90 HA PHE 90 -3.444 4.225 22.771 671 HB2 PHE 90 2HB PHE 90 -2.889 6.149 21.020 672 HB3 PHE 90 3HB PHE 90 -3.557 7.166 22.292 673 HD1 PHE 90 HD1 PHE 90 -0.866 4.819 21.425 674 HD2 PHE 90 HD2 PHE 90 -2.373 7.548 24.323 675 HE1 PHE 90 HE1 PHE 90 1.297 4.764 22.596 676 HE2 PHE 90 HE2 PHE 90 -0.212 7.498 25.498 677 HZ PHE 90 HZ PHE 90 1.627 6.106 24.635 678 H ASP 91 H ASP 91 -6.259 6.285 22.462 679 HA ASP 91 HA ASP 91 -6.861 5.900 25.267 680 HB2 ASP 91 2HB ASP 91 -7.291 8.432 25.501 681 HB3 ASP 91 3HB ASP 91 -5.626 7.864 25.608 682 H LEU 92 H LEU 92 -8.919 5.314 25.306 683 HA LEU 92 HA LEU 92 -10.685 5.536 23.150 684 HB2 LEU 92 2HB LEU 92 -12.448 4.999 24.891 685 HB3 LEU 92 3HB LEU 92 -11.128 3.846 24.705 686 HG LEU 92 HG LEU 92 -10.609 5.826 26.777 687 HD11 LEU 92 1HD1 LEU 92 -12.801 3.880 27.396 688 HD12 LEU 92 2HD1 LEU 92 -13.158 5.506 26.815 689 HD13 LEU 92 3HD1 LEU 92 -12.264 5.284 28.319 690 HD21 LEU 92 1HD2 LEU 92 -10.833 2.855 27.097 691 HD22 LEU 92 2HD2 LEU 92 -9.767 3.988 27.928 692 HD23 LEU 92 3HD2 LEU 92 -9.473 3.579 26.237 693 H ASP 93 H ASP 93 -10.137 7.627 25.914 694 HA ASP 93 HA ASP 93 -12.331 9.380 25.094 695 HB2 ASP 93 2HB ASP 93 -10.587 9.266 27.551 696 HB3 ASP 93 3HB ASP 93 -11.635 10.642 27.214 697 H LYS 94 H LYS 94 -11.789 11.805 25.323 698 HA LYS 94 HA LYS 94 -9.200 12.329 24.015 699 HB2 LYS 94 2HB LYS 94 -10.412 14.243 22.870 700 HB3 LYS 94 3HB LYS 94 -10.831 12.624 22.325 701 HG2 LYS 94 2HG LYS 94 -12.484 13.809 24.480 702 HG3 LYS 94 3HG LYS 94 -12.661 14.467 22.852 703 HD2 LYS 94 2HD LYS 94 -13.737 12.644 22.115 704 HD3 LYS 94 3HD LYS 94 -12.616 11.548 22.927 705 HE2 LYS 94 2HE LYS 94 -14.588 11.112 24.040 706 HE3 LYS 94 3HE LYS 94 -13.850 12.325 25.084 707 HZ1 LYS 94 1HZ LYS 94 -16.244 12.695 24.588 708 HZ2 LYS 94 2HZ LYS 94 -15.829 12.970 22.971 709 HZ3 LYS 94 3HZ LYS 94 -15.246 13.999 24.180 710 H LYS 95 H LYS 95 -8.429 12.715 26.210 711 HA LYS 95 HA LYS 95 -9.494 14.907 27.725 712 HB2 LYS 95 2HB LYS 95 -7.452 14.568 29.132 713 HB3 LYS 95 3HB LYS 95 -8.437 13.125 28.932 714 HG2 LYS 95 2HG LYS 95 -6.564 13.082 26.845 715 HG3 LYS 95 3HG LYS 95 -5.677 13.540 28.301 716 HD2 LYS 95 2HD LYS 95 -7.109 11.555 29.332 717 HD3 LYS 95 3HD LYS 95 -7.105 11.016 27.651 718 HE2 LYS 95 2HE LYS 95 -5.224 9.992 28.587 719 HE3 LYS 95 3HE LYS 95 -4.574 11.392 27.735 720 HZ1 LYS 95 1HZ LYS 95 -4.876 10.965 30.633 721 HZ2 LYS 95 2HZ LYS 95 -4.829 12.538 30.014 722 HZ3 LYS 95 3HZ LYS 95 -3.522 11.493 29.767 723 H GLY 96 H GLY 96 -6.863 14.446 25.441 724 HA2 GLY 96 2HA GLY 96 -5.698 16.014 24.215 725 HA3 GLY 96 3HA GLY 96 -6.722 17.256 24.920 726 H LYS 97 H LYS 97 -5.195 15.225 27.188 727 HA LYS 97 HA LYS 97 -3.148 17.289 27.680 728 HB2 LYS 97 2HB LYS 97 -5.225 16.492 29.363 729 HB3 LYS 97 3HB LYS 97 -3.806 15.676 30.005 730 HG2 LYS 97 2HG LYS 97 -2.913 17.575 30.778 731 HG3 LYS 97 3HG LYS 97 -3.369 18.492 29.340 732 HD2 LYS 97 2HD LYS 97 -5.317 17.681 31.492 733 HD3 LYS 97 3HD LYS 97 -4.475 19.232 31.469 734 HE2 LYS 97 2HE LYS 97 -5.433 19.549 29.141 735 HE3 LYS 97 3HE LYS 97 -6.466 18.162 29.483 736 HZ1 LYS 97 1HZ LYS 97 -7.397 19.337 31.357 737 HZ2 LYS 97 2HZ LYS 97 -7.566 20.275 29.960 738 HZ3 LYS 97 3HZ LYS 97 -6.370 20.655 31.095 739 H ILE 98 H ILE 98 -1.332 16.423 26.848 740 HA ILE 98 HA ILE 98 -0.454 13.851 27.959 741 HB ILE 98 HB ILE 98 -0.119 14.643 25.063 742 HG12 ILE 98 2HG1 ILE 98 -1.469 12.259 25.098 743 HG13 ILE 98 3HG1 ILE 98 -2.157 13.079 26.495 744 HG21 ILE 98 1HG2 ILE 98 0.641 12.172 24.973 745 HG22 ILE 98 2HG2 ILE 98 1.767 13.392 25.566 746 HG23 ILE 98 3HG2 ILE 98 0.903 12.361 26.707 747 HD11 ILE 98 1HD1 ILE 98 -3.428 14.321 25.185 748 HD12 ILE 98 2HD1 ILE 98 -2.022 14.887 24.283 749 HD13 ILE 98 3HD1 ILE 98 -2.838 13.400 23.801 750 H SER 99 H SER 99 1.562 13.881 28.735 751 HA SER 99 HA SER 99 3.037 16.315 28.790 752 HB2 SER 99 2HB SER 99 4.247 13.674 29.542 753 HB3 SER 99 3HB SER 99 4.462 15.252 30.297 754 HG SER 99 HG SER 99 2.004 14.888 30.669 755 H PHE 100 H PHE 100 4.639 17.018 27.524 756 HA PHE 100 HA PHE 100 5.158 15.951 25.021 757 HB2 PHE 100 2HB PHE 100 7.072 17.481 24.924 758 HB3 PHE 100 3HB PHE 100 5.667 18.274 25.630 759 HD1 PHE 100 HD1 PHE 100 9.062 17.132 26.177 760 HD2 PHE 100 HD2 PHE 100 5.588 18.729 28.047 761 HE1 PHE 100 HE1 PHE 100 10.408 17.754 28.140 762 HE2 PHE 100 HE2 PHE 100 6.929 19.354 30.013 763 HZ PHE 100 HZ PHE 100 9.342 18.867 30.061 764 H ALA 101 H ALA 101 6.784 15.376 28.082 765 HA ALA 101 HA ALA 101 9.058 14.047 27.136 766 HB1 ALA 101 1HB ALA 101 9.506 14.081 29.306 767 HB2 ALA 101 2HB ALA 101 7.844 14.558 29.655 768 HB3 ALA 101 3HB ALA 101 8.273 12.849 29.580 769 H ASN 102 H ASN 102 5.935 12.705 28.210 770 HA ASN 102 HA ASN 102 6.514 10.018 27.736 771 HB2 ASN 102 2HB ASN 102 4.017 11.626 27.977 772 HB3 ASN 102 3HB ASN 102 3.881 10.001 27.311 773 HD21 ASN 102 1HD2 ASN 102 3.736 8.365 28.679 774 HD22 ASN 102 2HD2 ASN 102 4.072 8.436 30.372 775 H LEU 103 H LEU 103 5.010 12.424 25.597 776 HA LEU 103 HA LEU 103 4.483 10.783 23.420 777 HB2 LEU 103 2HB LEU 103 4.155 13.412 23.961 778 HB3 LEU 103 3HB LEU 103 5.469 13.486 22.789 779 HG LEU 103 HG LEU 103 3.947 12.049 21.295 780 HD11 LEU 103 1HD1 LEU 103 2.245 11.317 22.692 781 HD12 LEU 103 2HD1 LEU 103 1.493 12.645 21.809 782 HD13 LEU 103 3HD1 LEU 103 2.060 12.894 23.460 783 HD21 LEU 103 1HD2 LEU 103 3.941 14.019 20.269 784 HD22 LEU 103 2HD2 LEU 103 4.066 14.885 21.801 785 HD23 LEU 103 3HD2 LEU 103 2.483 14.419 21.177 786 H LYS 104 H LYS 104 7.421 12.639 24.158 787 HA LYS 104 HA LYS 104 8.869 11.986 21.859 788 HB2 LYS 104 2HB LYS 104 9.349 13.604 23.928 789 HB3 LYS 104 3HB LYS 104 10.328 12.236 24.441 790 HG2 LYS 104 2HG LYS 104 10.753 12.943 21.653 791 HG3 LYS 104 3HG LYS 104 11.124 14.261 22.767 792 HD2 LYS 104 2HD LYS 104 12.156 11.463 23.164 793 HD3 LYS 104 3HD LYS 104 13.025 12.670 22.213 794 HE2 LYS 104 2HE LYS 104 12.188 13.015 25.091 795 HE3 LYS 104 3HE LYS 104 13.797 12.521 24.564 796 HZ1 LYS 104 1HZ LYS 104 14.331 14.634 24.275 797 HZ2 LYS 104 2HZ LYS 104 12.810 15.109 24.842 798 HZ3 LYS 104 3HZ LYS 104 13.054 14.856 23.187 799 H GLU 105 H GLU 105 8.857 10.405 25.049 800 HA GLU 105 HA GLU 105 10.704 8.408 24.547 801 HB2 GLU 105 2HB GLU 105 9.512 8.982 26.736 802 HB3 GLU 105 3HB GLU 105 8.205 7.954 26.166 803 HG2 GLU 105 2HG GLU 105 9.801 6.080 25.995 804 HG3 GLU 105 3HG GLU 105 11.051 7.121 26.672 805 H VAL 106 H VAL 106 7.189 8.327 24.014 806 HA VAL 106 HA VAL 106 7.028 5.714 23.027 807 HB VAL 106 HB VAL 106 5.285 8.042 22.210 808 HG11 VAL 106 1HG1 VAL 106 5.037 6.015 20.840 809 HG12 VAL 106 2HG1 VAL 106 4.703 5.083 22.300 810 HG13 VAL 106 3HG1 VAL 106 3.592 6.356 21.792 811 HG21 VAL 106 1HG2 VAL 106 4.066 6.433 24.199 812 HG22 VAL 106 2HG2 VAL 106 5.672 6.877 24.778 813 HG23 VAL 106 3HG2 VAL 106 4.530 8.132 24.297 814 H ALA 107 H ALA 107 7.533 8.789 21.334 815 HA ALA 107 HA ALA 107 7.450 7.861 18.713 816 HB1 ALA 107 1HB ALA 107 8.786 10.171 20.047 817 HB2 ALA 107 2HB ALA 107 9.143 9.820 18.355 818 HB3 ALA 107 3HB ALA 107 7.485 10.156 18.855 819 H LYS 108 H LYS 108 10.266 8.184 20.869 820 HA LYS 108 HA LYS 108 12.140 7.125 19.039 821 HB2 LYS 108 2HB LYS 108 12.239 7.198 22.061 822 HB3 LYS 108 3HB LYS 108 13.609 6.877 21.006 823 HG2 LYS 108 2HG LYS 108 12.025 9.438 21.078 824 HG3 LYS 108 3HG LYS 108 13.599 9.178 21.834 825 HD2 LYS 108 2HD LYS 108 14.418 8.537 19.501 826 HD3 LYS 108 3HD LYS 108 12.914 9.244 18.908 827 HE2 LYS 108 2HE LYS 108 13.655 11.276 20.394 828 HE3 LYS 108 3HE LYS 108 15.255 10.559 20.209 829 HZ1 LYS 108 1HZ LYS 108 15.274 10.954 17.966 830 HZ2 LYS 108 2HZ LYS 108 14.406 12.301 18.506 831 HZ3 LYS 108 3HZ LYS 108 13.588 10.985 17.827 832 H LEU 109 H LEU 109 10.089 5.651 21.490 833 HA LEU 109 HA LEU 109 11.242 3.105 21.550 834 HB2 LEU 109 2HB LEU 109 9.434 4.102 23.052 835 HB3 LEU 109 3HB LEU 109 8.293 3.617 21.799 836 HG LEU 109 HG LEU 109 9.095 1.261 22.110 837 HD11 LEU 109 1HD1 LEU 109 11.252 1.745 23.123 838 HD12 LEU 109 2HD1 LEU 109 10.276 0.732 24.186 839 HD13 LEU 109 3HD1 LEU 109 10.450 2.454 24.525 840 HD21 LEU 109 1HD2 LEU 109 7.236 2.739 23.531 841 HD22 LEU 109 2HD2 LEU 109 8.134 1.871 24.777 842 HD23 LEU 109 3HD2 LEU 109 7.353 0.980 23.470 843 H LEU 110 H LEU 110 9.059 4.592 19.265 844 HA LEU 110 HA LEU 110 8.254 2.211 17.944 845 HB2 LEU 110 2HB LEU 110 8.275 5.105 17.137 846 HB3 LEU 110 3HB LEU 110 7.699 3.832 16.063 847 HG LEU 110 HG LEU 110 6.528 4.493 18.764 848 HD11 LEU 110 1HD1 LEU 110 4.566 5.128 17.169 849 HD12 LEU 110 2HD1 LEU 110 5.855 5.346 15.986 850 HD13 LEU 110 3HD1 LEU 110 5.864 6.282 17.480 851 HD21 LEU 110 1HD2 LEU 110 6.122 2.213 18.355 852 HD22 LEU 110 2HD2 LEU 110 5.819 2.489 16.639 853 HD23 LEU 110 3HD2 LEU 110 4.654 3.044 17.842 854 H GLY 111 H GLY 111 11.173 3.943 17.982 855 HA2 GLY 111 2HA GLY 111 13.177 3.274 16.986 856 HA3 GLY 111 3HA GLY 111 12.268 2.194 15.938 857 H GLU 112 H GLU 112 11.163 5.441 16.163 858 HA GLU 112 HA GLU 112 12.016 5.895 13.404 859 HB2 GLU 112 2HB GLU 112 9.602 6.268 14.537 860 HB3 GLU 112 3HB GLU 112 10.289 7.867 14.787 861 HG2 GLU 112 2HG GLU 112 9.210 8.086 12.763 862 HG3 GLU 112 3HG GLU 112 10.875 7.764 12.281 863 H ASN 113 H ASN 113 13.428 7.441 12.806 864 HA ASN 113 HA ASN 113 14.528 9.157 14.936 865 HB2 ASN 113 2HB ASN 113 16.046 7.345 13.998 866 HB3 ASN 113 3HB ASN 113 16.028 8.240 12.482 867 HD21 ASN 113 1HD2 ASN 113 17.579 7.826 15.390 868 HD22 ASN 113 2HD2 ASN 113 18.518 9.276 15.404 869 HA PRO 114 HA PRO 114 12.644 11.855 11.637 870 HB2 PRO 114 2HB PRO 114 11.308 13.461 13.371 871 HB3 PRO 114 3HB PRO 114 10.628 11.959 12.735 872 HG2 PRO 114 2HG PRO 114 11.943 12.475 15.374 873 HG3 PRO 114 3HG PRO 114 10.481 11.536 15.017 874 HD2 PRO 114 2HD PRO 114 12.889 10.375 15.451 875 HD3 PRO 114 3HD PRO 114 11.682 9.686 14.347 876 H GLY 115 H GLY 115 12.750 14.318 11.566 877 HA2 GLY 115 2HA GLY 115 15.421 15.105 12.329 878 HA3 GLY 115 3HA GLY 115 14.280 16.053 11.386 879 H ASP 116 H ASP 116 16.043 16.624 13.790 880 HA ASP 116 HA ASP 116 14.586 17.023 16.103 881 HB2 ASP 116 2HB ASP 116 16.759 18.777 14.938 882 HB3 ASP 116 3HB ASP 116 16.185 18.857 16.601 883 H ASP 117 H ASP 117 14.714 19.003 13.193 884 HA ASP 117 HA ASP 117 13.368 21.260 14.135 885 HB2 ASP 117 2HB ASP 117 12.924 21.790 11.822 886 HB3 ASP 117 3HB ASP 117 14.534 21.085 11.936 887 H VAL 118 H VAL 118 12.146 18.184 12.939 888 HA VAL 118 HA VAL 118 9.414 18.959 12.819 889 HB VAL 118 HB VAL 118 10.549 16.178 13.146 890 HG11 VAL 118 1HG1 VAL 118 8.158 16.344 13.652 891 HG12 VAL 118 2HG1 VAL 118 7.881 17.104 12.083 892 HG13 VAL 118 3HG1 VAL 118 8.445 15.435 12.168 893 HG21 VAL 118 1HG2 VAL 118 10.165 17.932 10.754 894 HG22 VAL 118 2HG2 VAL 118 11.543 16.921 11.189 895 HG23 VAL 118 3HG2 VAL 118 10.056 16.179 10.598 896 H LEU 119 H LEU 119 11.488 17.739 15.349 897 HA LEU 119 HA LEU 119 9.411 17.003 17.153 898 HB2 LEU 119 2HB LEU 119 12.196 16.787 17.053 899 HB3 LEU 119 3HB LEU 119 11.855 17.775 18.472 900 HG LEU 119 HG LEU 119 12.081 15.389 19.012 901 HD11 LEU 119 1HD1 LEU 119 10.405 17.089 20.108 902 HD12 LEU 119 2HD1 LEU 119 10.402 15.386 20.566 903 HD13 LEU 119 3HD1 LEU 119 9.198 15.996 19.431 904 HD21 LEU 119 1HD2 LEU 119 9.511 14.906 17.543 905 HD22 LEU 119 2HD2 LEU 119 10.660 13.731 18.185 906 HD23 LEU 119 3HD2 LEU 119 11.076 14.685 16.760 907 H GLN 120 H GLN 120 11.652 19.780 17.124 908 HA GLN 120 HA GLN 120 10.437 21.171 19.231 909 HB2 GLN 120 2HB GLN 120 11.866 22.470 16.916 910 HB3 GLN 120 3HB GLN 120 11.745 23.050 18.572 911 HG2 GLN 120 2HG GLN 120 13.404 20.812 17.482 912 HG3 GLN 120 3HG GLN 120 13.912 22.226 18.404 913 HE21 GLN 120 1HE2 GLN 120 12.306 22.233 20.540 914 HE22 GLN 120 2HE2 GLN 120 12.515 20.799 21.480 915 H GLU 121 H GLU 121 9.939 21.376 15.727 916 HA GLU 121 HA GLU 121 8.097 23.500 15.767 917 HB2 GLU 121 2HB GLU 121 8.611 21.274 13.806 918 HB3 GLU 121 3HB GLU 121 7.354 22.473 13.532 919 HG2 GLU 121 2HG GLU 121 9.017 24.250 13.603 920 HG3 GLU 121 3HG GLU 121 10.283 23.060 13.903 921 H MET 122 H MET 122 7.617 19.984 15.826 922 HA MET 122 HA MET 122 4.835 19.945 15.726 923 HB2 MET 122 2HB MET 122 6.104 17.911 15.479 924 HB3 MET 122 3HB MET 122 6.759 18.068 17.103 925 HG2 MET 122 2HG MET 122 4.977 17.117 18.038 926 HG3 MET 122 3HG MET 122 3.850 18.033 17.040 927 HE1 MET 122 1HE MET 122 2.659 15.910 17.651 928 HE2 MET 122 2HE MET 122 2.375 14.757 16.347 929 HE3 MET 122 3HE MET 122 3.544 14.384 17.616 930 H ILE 123 H ILE 123 6.926 19.857 18.614 931 HA ILE 123 HA ILE 123 4.884 19.961 20.516 932 HB ILE 123 HB ILE 123 7.691 21.054 20.742 933 HG12 ILE 123 2HG1 ILE 123 7.570 18.653 20.149 934 HG13 ILE 123 3HG1 ILE 123 8.238 18.909 21.757 935 HG21 ILE 123 1HG2 ILE 123 6.589 22.000 22.543 936 HG22 ILE 123 2HG2 ILE 123 5.512 20.619 22.742 937 HG23 ILE 123 3HG2 ILE 123 7.204 20.495 23.226 938 HD11 ILE 123 1HD1 ILE 123 6.033 17.310 20.981 939 HD12 ILE 123 2HD1 ILE 123 6.731 17.529 22.586 940 HD13 ILE 123 3HD1 ILE 123 5.443 18.597 22.031 941 H ALA 124 H ALA 124 6.573 22.542 18.808 942 HA ALA 124 HA ALA 124 5.611 24.719 20.286 943 HB1 ALA 124 1HB ALA 124 7.043 25.716 18.917 944 HB2 ALA 124 2HB ALA 124 7.066 24.311 17.851 945 HB3 ALA 124 3HB ALA 124 5.853 25.571 17.623 946 H GLU 125 H GLU 125 4.299 23.139 17.387 947 HA GLU 125 HA GLU 125 2.085 24.862 17.079 948 HB2 GLU 125 2HB GLU 125 2.754 22.111 16.095 949 HB3 GLU 125 3HB GLU 125 1.141 22.761 15.841 950 HG2 GLU 125 2HG GLU 125 3.263 24.609 15.086 951 HG3 GLU 125 3HG GLU 125 3.285 23.098 14.178 952 H ALA 126 H ALA 126 2.333 21.626 18.545 953 HA ALA 126 HA ALA 126 -0.338 21.455 19.394 954 HB1 ALA 126 1HB ALA 126 1.292 20.024 21.217 955 HB2 ALA 126 2HB ALA 126 0.344 19.399 19.866 956 HB3 ALA 126 3HB ALA 126 2.021 19.886 19.616 957 H ASP 127 H ASP 127 2.425 23.070 20.745 958 HA ASP 127 HA ASP 127 1.464 23.356 23.395 959 HB2 ASP 127 2HB ASP 127 3.803 23.679 22.983 960 HB3 ASP 127 3HB ASP 127 3.479 24.939 21.796 961 H GLU 128 H GLU 128 0.816 25.027 20.429 962 HA GLU 128 HA GLU 128 -0.100 27.481 21.396 963 HB2 GLU 128 2HB GLU 128 0.259 26.642 18.958 964 HB3 GLU 128 3HB GLU 128 -1.414 26.114 19.070 965 HG2 GLU 128 2HG GLU 128 -2.182 28.173 18.769 966 HG3 GLU 128 3HG GLU 128 -1.087 28.841 19.978 967 H ASP 129 H ASP 129 -1.565 24.334 21.422 968 HA ASP 129 HA ASP 129 -4.256 25.063 21.755 969 HB2 ASP 129 2HB ASP 129 -3.100 22.719 21.393 970 HB3 ASP 129 3HB ASP 129 -3.151 22.661 23.153 971 H GLY 130 H GLY 130 -1.599 24.785 24.045 972 HA2 GLY 130 2HA GLY 130 -3.224 26.217 26.013 973 HA3 GLY 130 3HA GLY 130 -2.551 24.667 26.494 974 H ASP 131 H ASP 131 -1.052 25.216 27.967 975 HA ASP 131 HA ASP 131 1.125 26.970 27.053 976 HB2 ASP 131 2HB ASP 131 -0.457 28.084 28.714 977 HB3 ASP 131 3HB ASP 131 0.144 26.934 29.905 978 H GLY 132 H GLY 132 2.443 25.217 26.570 979 HA2 GLY 132 2HA GLY 132 4.246 23.877 27.182 980 HA3 GLY 132 3HA GLY 132 3.761 24.037 28.863 981 H GLU 133 H GLU 133 1.381 23.078 26.550 982 HA GLU 133 HA GLU 133 1.622 20.289 27.468 983 HB2 GLU 133 2HB GLU 133 -0.944 21.806 26.964 984 HB3 GLU 133 3HB GLU 133 -0.819 20.127 27.469 985 HG2 GLU 133 2HG GLU 133 0.323 20.914 29.542 986 HG3 GLU 133 3HG GLU 133 -0.041 22.565 29.046 987 H VAL 134 H VAL 134 1.038 18.666 25.995 988 HA VAL 134 HA VAL 134 1.046 19.552 23.189 989 HB VAL 134 HB VAL 134 1.827 16.871 24.345 990 HG11 VAL 134 1HG1 VAL 134 1.412 17.844 21.584 991 HG12 VAL 134 2HG1 VAL 134 2.841 16.849 21.868 992 HG13 VAL 134 3HG1 VAL 134 1.238 16.223 22.256 993 HG21 VAL 134 1HG2 VAL 134 4.102 17.490 23.767 994 HG22 VAL 134 2HG2 VAL 134 3.545 19.044 23.147 995 HG23 VAL 134 3HG2 VAL 134 3.411 18.682 24.868 996 H SER 135 H SER 135 -0.875 19.512 22.240 997 HA SER 135 HA SER 135 -2.778 17.394 23.001 998 HB2 SER 135 2HB SER 135 -4.018 19.220 23.575 999 HB3 SER 135 3HB SER 135 -3.129 20.294 22.495 1000 HG SER 135 HG SER 135 -4.787 20.096 21.230 1001 H PHE 136 H PHE 136 -2.702 15.854 21.498 1002 HA PHE 136 HA PHE 136 -1.804 16.100 18.884 1003 HB2 PHE 136 2HB PHE 136 -2.950 14.058 20.504 1004 HB3 PHE 136 3HB PHE 136 -3.795 14.057 18.959 1005 HD1 PHE 136 HD1 PHE 136 -2.877 12.949 17.153 1006 HD2 PHE 136 HD2 PHE 136 -0.365 14.073 20.400 1007 HE1 PHE 136 HE1 PHE 136 -1.011 11.712 16.132 1008 HE2 PHE 136 HE2 PHE 136 1.506 12.838 19.384 1009 HZ PHE 136 HZ PHE 136 1.184 11.657 17.247 1010 H GLU 137 H GLU 137 -5.001 16.616 20.227 1011 HA GLU 137 HA GLU 137 -6.537 16.617 17.915 1012 HB2 GLU 137 2HB GLU 137 -7.244 16.893 20.388 1013 HB3 GLU 137 3HB GLU 137 -6.984 18.611 20.120 1014 HG2 GLU 137 2HG GLU 137 -8.730 18.770 18.602 1015 HG3 GLU 137 3HG GLU 137 -8.744 17.036 18.288 1016 H GLU 138 H GLU 138 -4.442 19.112 19.234 1017 HA GLU 138 HA GLU 138 -5.269 21.220 17.551 1018 HB2 GLU 138 2HB GLU 138 -3.554 20.993 19.669 1019 HB3 GLU 138 3HB GLU 138 -2.435 21.222 18.333 1020 HG2 GLU 138 2HG GLU 138 -4.704 23.045 19.094 1021 HG3 GLU 138 3HG GLU 138 -2.986 23.341 19.351 1022 H PHE 139 H PHE 139 -2.523 18.968 17.300 1023 HA PHE 139 HA PHE 139 -1.479 19.909 14.897 1024 HB2 PHE 139 2HB PHE 139 -0.502 18.174 16.522 1025 HB3 PHE 139 3HB PHE 139 -1.478 16.993 15.653 1026 HD1 PHE 139 HD1 PHE 139 1.471 19.103 15.565 1027 HD2 PHE 139 HD2 PHE 139 -1.009 16.491 13.297 1028 HE1 PHE 139 HE1 PHE 139 3.247 18.889 13.875 1029 HE2 PHE 139 HE2 PHE 139 0.763 16.271 11.605 1030 HZ PHE 139 HZ PHE 139 2.895 17.471 11.893 1031 H LYS 140 H LYS 140 -3.760 17.221 15.412 1032 HA LYS 140 HA LYS 140 -4.177 16.540 12.753 1033 HB2 LYS 140 2HB LYS 140 -4.985 15.230 14.695 1034 HB3 LYS 140 3HB LYS 140 -6.210 16.458 14.991 1035 HG2 LYS 140 2HG LYS 140 -7.372 14.819 13.847 1036 HG3 LYS 140 3HG LYS 140 -6.965 15.975 12.576 1037 HD2 LYS 140 2HD LYS 140 -4.944 13.896 13.024 1038 HD3 LYS 140 3HD LYS 140 -6.501 13.291 12.455 1039 HE2 LYS 140 2HE LYS 140 -5.083 15.591 11.136 1040 HE3 LYS 140 3HE LYS 140 -4.783 13.913 10.683 1041 HZ1 LYS 140 1HZ LYS 140 -6.982 13.654 9.956 1042 HZ2 LYS 140 2HZ LYS 140 -6.499 15.153 9.340 1043 HZ3 LYS 140 3HZ LYS 140 -7.503 15.082 10.700 1044 H SER 141 H SER 141 -5.976 18.861 14.758 1045 HA SER 141 HA SER 141 -7.896 19.633 12.920 1046 HB2 SER 141 2HB SER 141 -8.096 20.418 15.161 1047 HB3 SER 141 3HB SER 141 -6.515 21.197 15.104 1048 HG SER 141 HG SER 141 -8.902 22.201 14.432 1049 H VAL 142 H VAL 142 -4.683 21.072 13.450 1050 HA VAL 142 HA VAL 142 -4.816 23.050 11.493 1051 HB VAL 142 HB VAL 142 -2.338 21.526 12.303 1052 HG11 VAL 142 1HG1 VAL 142 -2.842 24.068 10.834 1053 HG12 VAL 142 2HG1 VAL 142 -1.417 23.947 11.867 1054 HG13 VAL 142 3HG1 VAL 142 -1.641 22.812 10.535 1055 HG21 VAL 142 1HG2 VAL 142 -2.587 22.369 14.341 1056 HG22 VAL 142 2HG2 VAL 142 -2.502 23.991 13.653 1057 HG23 VAL 142 3HG2 VAL 142 -4.065 23.199 13.854 1058 H MET 143 H MET 143 -3.654 19.702 11.248 1059 HA MET 143 HA MET 143 -2.766 19.756 8.616 1060 HB2 MET 143 2HB MET 143 -2.314 17.866 10.053 1061 HB3 MET 143 3HB MET 143 -4.029 17.499 10.179 1062 HG2 MET 143 2HG MET 143 -4.101 16.946 7.814 1063 HG3 MET 143 3HG MET 143 -2.394 17.354 7.657 1064 HE1 MET 143 1HE MET 143 -0.949 15.997 10.210 1065 HE2 MET 143 2HE MET 143 -0.517 14.527 9.337 1066 HE3 MET 143 3HE MET 143 -0.483 16.086 8.511 1067 H MET 144 H MET 144 -5.985 18.830 9.834 1068 HA MET 144 HA MET 144 -7.182 18.325 7.372 1069 HB2 MET 144 2HB MET 144 -7.996 18.275 9.994 1070 HB3 MET 144 3HB MET 144 -8.951 19.596 9.335 1071 HG2 MET 144 2HG MET 144 -8.857 17.109 7.747 1072 HG3 MET 144 3HG MET 144 -9.733 17.048 9.275 1073 HE1 MET 144 1HE MET 144 -12.701 18.710 9.112 1074 HE2 MET 144 2HE MET 144 -11.200 18.730 10.037 1075 HE3 MET 144 3HE MET 144 -11.699 20.162 9.136 1076 H GLN 145 H GLN 145 -6.958 21.354 9.203 1077 HA GLN 145 HA GLN 145 -8.536 22.959 7.573 1078 HB2 GLN 145 2HB GLN 145 -7.659 23.652 9.771 1079 HB3 GLN 145 3HB GLN 145 -6.043 23.760 9.085 1080 HG2 GLN 145 2HG GLN 145 -7.397 25.365 7.394 1081 HG3 GLN 145 3HG GLN 145 -8.318 25.607 8.877 1082 HE21 GLN 145 1HE2 GLN 145 -7.343 26.586 10.636 1083 HE22 GLN 145 2HE2 GLN 145 -5.845 27.437 10.511 1084 H MET 146 H MET 146 -5.038 22.343 7.383 1085 HA MET 146 HA MET 146 -4.512 23.982 5.175 1086 HB2 MET 146 2HB MET 146 -3.149 21.709 6.508 1087 HB3 MET 146 3HB MET 146 -2.640 22.078 4.866 1088 HG2 MET 146 2HG MET 146 -2.851 24.399 6.647 1089 HG3 MET 146 3HG MET 146 -1.618 23.221 7.092 1090 HE1 MET 146 1HE MET 146 0.315 22.955 6.378 1091 HE2 MET 146 2HE MET 146 0.623 22.699 4.660 1092 HE3 MET 146 3HE MET 146 1.213 24.160 5.454 1093 H ARG 147 H ARG 147 -5.217 20.495 5.308 1094 HA ARG 147 HA ARG 147 -5.049 19.919 2.607 1095 HB2 ARG 147 2HB ARG 147 -6.960 18.754 4.641 1096 HB3 ARG 147 3HB ARG 147 -6.593 18.043 3.075 1097 HG2 ARG 147 2HG ARG 147 -4.227 18.604 4.690 1098 HG3 ARG 147 3HG ARG 147 -5.339 17.446 5.422 1099 HD2 ARG 147 2HD ARG 147 -5.298 16.113 3.372 1100 HD3 ARG 147 3HD ARG 147 -4.194 17.274 2.637 1101 HE ARG 147 HE ARG 147 -3.513 15.174 4.430 1102 HH11 ARG 147 1HH1 ARG 147 -2.670 18.423 3.506 1103 HH12 ARG 147 2HH1 ARG 147 -1.022 18.281 4.020 1104 HH21 ARG 147 1HH2 ARG 147 -1.346 14.975 5.111 1105 HH22 ARG 147 2HH2 ARG 147 -0.269 16.319 4.932 1106 H GLY 148 H GLY 148 -7.806 21.176 4.448 1107 HA2 GLY 148 2HA GLY 148 -9.678 21.107 2.337 1108 HA3 GLY 148 3HA GLY 148 -9.785 22.121 3.768 1109 H LYS 149 H LYS 149 -7.869 23.895 3.634 1110 HA LYS 149 HA LYS 149 -8.695 25.753 1.738 1111 HB2 LYS 149 2HB LYS 149 -6.001 25.656 3.107 1112 HB3 LYS 149 3HB LYS 149 -6.760 27.075 2.398 1113 HG2 LYS 149 2HG LYS 149 -8.608 26.036 4.237 1114 HG3 LYS 149 3HG LYS 149 -7.033 25.999 5.034 1115 HD2 LYS 149 2HD LYS 149 -7.731 28.457 3.531 1116 HD3 LYS 149 3HD LYS 149 -8.607 28.159 5.035 1117 HE2 LYS 149 2HE LYS 149 -6.360 27.814 6.131 1118 HE3 LYS 149 3HE LYS 149 -5.632 28.422 4.645 1119 HZ1 LYS 149 1HZ LYS 149 -7.366 30.353 5.114 1120 HZ2 LYS 149 2HZ LYS 149 -5.804 30.361 5.763 1121 HZ3 LYS 149 3HZ LYS 149 -7.110 29.852 6.709 Start of MODEL 18 1 H1 MET 1 H MET 1 -0.986 0.787 -2.329 2 HA MET 1 HA MET 1 1.056 -0.619 -3.920 3 HB2 MET 1 2HB MET 1 -1.358 0.928 -4.844 4 HB3 MET 1 3HB MET 1 0.012 0.620 -5.903 5 HG2 MET 1 2HG MET 1 -0.782 -1.825 -4.668 6 HG3 MET 1 3HG MET 1 -2.194 -1.042 -5.375 7 HE1 MET 1 1HE MET 1 -2.341 -1.487 -8.658 8 HE2 MET 1 2HE MET 1 -2.429 -0.199 -7.457 9 HE3 MET 1 3HE MET 1 -1.220 -0.128 -8.740 10 H ALA 2 H ALA 2 -0.430 2.624 -3.781 11 HA ALA 2 HA ALA 2 2.262 3.762 -3.462 12 HB1 ALA 2 1HB ALA 2 2.010 4.218 -5.697 13 HB2 ALA 2 2HB ALA 2 0.257 4.376 -5.580 14 HB3 ALA 2 3HB ALA 2 1.300 5.666 -4.982 15 H ALA 3 H ALA 3 2.401 5.564 -2.177 16 HA ALA 3 HA ALA 3 -0.027 6.232 -0.674 17 HB1 ALA 3 1HB ALA 3 2.896 6.416 -0.043 18 HB2 ALA 3 2HB ALA 3 1.706 7.336 0.880 19 HB3 ALA 3 3HB ALA 3 1.617 5.575 0.834 20 H LEU 4 H LEU 4 -0.447 8.457 -0.108 21 HA LEU 4 HA LEU 4 -0.393 10.198 -2.297 22 HB2 LEU 4 2HB LEU 4 -1.107 11.932 -0.651 23 HB3 LEU 4 3HB LEU 4 -2.081 10.463 -0.653 24 HG LEU 4 HG LEU 4 -0.293 9.908 1.319 25 HD11 LEU 4 1HD1 LEU 4 -0.962 12.561 2.258 26 HD12 LEU 4 2HD1 LEU 4 0.104 12.611 0.854 27 HD13 LEU 4 3HD1 LEU 4 0.581 11.706 2.290 28 HD21 LEU 4 1HD2 LEU 4 -2.141 10.590 2.866 29 HD22 LEU 4 2HD2 LEU 4 -2.638 9.541 1.538 30 HD23 LEU 4 3HD2 LEU 4 -2.976 11.271 1.469 31 H THR 5 H THR 5 1.630 10.085 0.609 32 HA THR 5 HA THR 5 3.094 12.400 0.289 33 HB THR 5 HB THR 5 5.026 10.974 1.323 34 HG1 THR 5 HG1 THR 5 4.411 8.997 2.081 35 HG21 THR 5 1HG2 THR 5 2.773 12.291 2.373 36 HG22 THR 5 2HG2 THR 5 4.286 11.922 3.200 37 HG23 THR 5 3HG2 THR 5 2.936 10.791 3.285 38 H ASP 6 H ASP 6 3.674 9.222 -1.173 39 HA ASP 6 HA ASP 6 6.093 9.792 -2.440 40 HB2 ASP 6 2HB ASP 6 4.696 7.562 -2.215 41 HB3 ASP 6 3HB ASP 6 4.084 8.041 -3.796 42 H GLU 7 H GLU 7 2.766 10.161 -3.629 43 HA GLU 7 HA GLU 7 3.443 11.096 -6.196 44 HB2 GLU 7 2HB GLU 7 1.123 10.394 -4.994 45 HB3 GLU 7 3HB GLU 7 0.964 12.145 -4.970 46 HG2 GLU 7 2HG GLU 7 1.756 11.744 -7.524 47 HG3 GLU 7 3HG GLU 7 0.846 10.266 -7.218 48 H GLN 8 H GLN 8 3.064 12.725 -3.113 49 HA GLN 8 HA GLN 8 3.002 15.373 -4.075 50 HB2 GLN 8 2HB GLN 8 2.531 14.400 -1.692 51 HB3 GLN 8 3HB GLN 8 4.250 14.674 -1.442 52 HG2 GLN 8 2HG GLN 8 3.861 17.055 -2.148 53 HG3 GLN 8 3HG GLN 8 2.134 16.709 -2.079 54 HE21 GLN 8 1HE2 GLN 8 1.648 18.054 -0.409 55 HE22 GLN 8 2HE2 GLN 8 2.219 17.824 1.205 56 H ILE 9 H ILE 9 5.713 13.512 -2.692 57 HA ILE 9 HA ILE 9 7.690 15.435 -3.217 58 HB ILE 9 HB ILE 9 9.310 13.557 -2.991 59 HG12 ILE 9 2HG1 ILE 9 6.799 11.893 -2.705 60 HG13 ILE 9 3HG1 ILE 9 7.952 11.798 -4.032 61 HG21 ILE 9 1HG2 ILE 9 8.897 13.175 -0.668 62 HG22 ILE 9 2HG2 ILE 9 8.357 14.808 -1.055 63 HG23 ILE 9 3HG2 ILE 9 7.177 13.511 -0.865 64 HD11 ILE 9 1HD1 ILE 9 8.096 10.698 -1.312 65 HD12 ILE 9 2HD1 ILE 9 8.769 10.093 -2.826 66 HD13 ILE 9 3HD1 ILE 9 9.594 11.378 -1.946 67 H ARG 10 H ARG 10 6.333 12.875 -5.191 68 HA ARG 10 HA ARG 10 8.291 12.867 -7.221 69 HB2 ARG 10 2HB ARG 10 6.705 11.048 -7.019 70 HB3 ARG 10 3HB ARG 10 5.359 12.142 -7.308 71 HG2 ARG 10 2HG ARG 10 5.861 10.817 -9.282 72 HG3 ARG 10 3HG ARG 10 6.148 12.533 -9.579 73 HD2 ARG 10 2HD ARG 10 8.552 12.171 -9.163 74 HD3 ARG 10 3HD ARG 10 8.237 10.450 -8.949 75 HE ARG 10 HE ARG 10 8.377 11.894 -11.432 76 HH11 ARG 10 1HH1 ARG 10 7.138 9.067 -9.822 77 HH12 ARG 10 2HH1 ARG 10 6.994 8.140 -11.279 78 HH21 ARG 10 1HH2 ARG 10 8.194 10.684 -13.357 79 HH22 ARG 10 2HH2 ARG 10 7.596 9.060 -13.289 80 H GLU 11 H GLU 11 5.150 14.533 -7.011 81 HA GLU 11 HA GLU 11 5.369 15.887 -9.470 82 HB2 GLU 11 2HB GLU 11 3.688 16.176 -7.029 83 HB3 GLU 11 3HB GLU 11 3.737 17.527 -8.153 84 HG2 GLU 11 2HG GLU 11 3.119 15.899 -9.966 85 HG3 GLU 11 3HG GLU 11 2.828 14.716 -8.692 86 H ALA 12 H ALA 12 6.342 16.753 -6.192 87 HA ALA 12 HA ALA 12 7.026 19.433 -6.679 88 HB1 ALA 12 1HB ALA 12 8.403 17.651 -4.686 89 HB2 ALA 12 2HB ALA 12 8.143 19.394 -4.598 90 HB3 ALA 12 3HB ALA 12 6.778 18.289 -4.438 91 H PHE 13 H PHE 13 9.132 16.554 -6.545 92 HA PHE 13 HA PHE 13 11.493 17.835 -7.310 93 HB2 PHE 13 2HB PHE 13 11.556 15.618 -6.358 94 HB3 PHE 13 3HB PHE 13 10.613 14.969 -7.696 95 HD1 PHE 13 HD1 PHE 13 11.780 13.744 -9.231 96 HD2 PHE 13 HD2 PHE 13 13.746 16.950 -7.238 97 HE1 PHE 13 HE1 PHE 13 13.857 13.217 -10.440 98 HE2 PHE 13 HE2 PHE 13 15.826 16.429 -8.445 99 HZ PHE 13 HZ PHE 13 15.884 14.561 -10.049 100 H ASN 14 H ASN 14 8.858 16.532 -9.219 101 HA ASN 14 HA ASN 14 10.147 16.587 -11.731 102 HB2 ASN 14 2HB ASN 14 8.025 15.360 -11.226 103 HB3 ASN 14 3HB ASN 14 7.190 16.910 -11.184 104 HD21 ASN 14 1HD2 ASN 14 9.044 14.733 -13.225 105 HD22 ASN 14 2HD2 ASN 14 8.382 15.280 -14.725 106 H LEU 15 H LEU 15 8.010 18.929 -10.121 107 HA LEU 15 HA LEU 15 8.005 20.851 -12.162 108 HB2 LEU 15 2HB LEU 15 7.036 20.612 -9.500 109 HB3 LEU 15 3HB LEU 15 7.873 22.156 -9.643 110 HG LEU 15 HG LEU 15 5.478 22.388 -10.053 111 HD11 LEU 15 1HD1 LEU 15 7.031 22.747 -12.608 112 HD12 LEU 15 2HD1 LEU 15 7.136 23.829 -11.220 113 HD13 LEU 15 3HD1 LEU 15 5.608 23.648 -12.082 114 HD21 LEU 15 1HD2 LEU 15 4.957 20.194 -10.896 115 HD22 LEU 15 2HD2 LEU 15 5.977 20.453 -12.311 116 HD23 LEU 15 3HD2 LEU 15 4.501 21.398 -12.101 117 H PHE 16 H PHE 16 10.066 20.553 -9.281 118 HA PHE 16 HA PHE 16 11.596 22.857 -9.679 119 HB2 PHE 16 2HB PHE 16 12.275 20.237 -8.339 120 HB3 PHE 16 3HB PHE 16 13.334 21.643 -8.299 121 HD1 PHE 16 HD1 PHE 16 11.450 19.944 -6.210 122 HD2 PHE 16 HD2 PHE 16 11.510 23.853 -7.893 123 HE1 PHE 16 HE1 PHE 16 10.227 20.801 -4.254 124 HE2 PHE 16 HE2 PHE 16 10.289 24.717 -5.939 125 HZ PHE 16 HZ PHE 16 9.646 23.190 -4.116 126 H ASP 17 H ASP 17 12.120 19.536 -10.804 127 HA ASP 17 HA ASP 17 14.587 20.085 -12.101 128 HB2 ASP 17 2HB ASP 17 13.909 17.814 -11.405 129 HB3 ASP 17 3HB ASP 17 12.624 17.840 -12.610 130 H ALA 18 H ALA 18 11.262 20.447 -13.001 131 HA ALA 18 HA ALA 18 11.383 20.387 -15.768 132 HB1 ALA 18 1HB ALA 18 9.726 22.345 -14.191 133 HB2 ALA 18 2HB ALA 18 9.376 21.659 -15.779 134 HB3 ALA 18 3HB ALA 18 9.328 20.633 -14.345 135 H ASP 19 H ASP 19 12.572 22.784 -13.550 136 HA ASP 19 HA ASP 19 12.735 25.032 -15.161 137 HB2 ASP 19 2HB ASP 19 13.533 24.440 -12.636 138 HB3 ASP 19 3HB ASP 19 15.091 24.522 -13.453 139 H GLY 20 H GLY 20 14.669 22.126 -15.184 140 HA2 GLY 20 2HA GLY 20 15.996 21.349 -16.933 141 HA3 GLY 20 3HA GLY 20 15.827 22.911 -17.720 142 H SER 21 H SER 21 16.850 22.667 -14.401 143 HA SER 21 HA SER 21 19.539 23.540 -15.231 144 HB2 SER 21 2HB SER 21 17.952 25.064 -13.812 145 HB3 SER 21 3HB SER 21 18.445 24.022 -12.478 146 HG SER 21 HG SER 21 20.082 25.644 -14.125 147 H GLY 22 H GLY 22 21.351 22.813 -13.983 148 HA2 GLY 22 2HA GLY 22 21.203 20.039 -13.339 149 HA3 GLY 22 3HA GLY 22 22.610 21.075 -13.148 150 H ALA 23 H ALA 23 20.832 22.918 -11.484 151 HA ALA 23 HA ALA 23 20.418 21.313 -9.090 152 HB1 ALA 23 1HB ALA 23 22.462 21.793 -8.311 153 HB2 ALA 23 2HB ALA 23 22.706 23.095 -9.476 154 HB3 ALA 23 3HB ALA 23 21.798 23.396 -7.994 155 H ILE 24 H ILE 24 19.351 22.532 -7.362 156 HA ILE 24 HA ILE 24 17.832 24.829 -8.414 157 HB ILE 24 HB ILE 24 16.812 22.789 -6.437 158 HG12 ILE 24 2HG1 ILE 24 15.295 22.653 -8.778 159 HG13 ILE 24 3HG1 ILE 24 16.963 22.729 -9.336 160 HG21 ILE 24 1HG2 ILE 24 15.435 25.034 -7.905 161 HG22 ILE 24 2HG2 ILE 24 14.635 23.846 -6.877 162 HG23 ILE 24 3HG2 ILE 24 15.797 24.974 -6.180 163 HD11 ILE 24 1HD1 ILE 24 17.514 20.722 -8.375 164 HD12 ILE 24 2HD1 ILE 24 16.232 20.824 -7.168 165 HD13 ILE 24 3HD1 ILE 24 15.838 20.439 -8.843 166 H ASP 25 H ASP 25 17.935 26.651 -7.273 167 HA ASP 25 HA ASP 25 19.373 26.638 -4.741 168 HB2 ASP 25 2HB ASP 25 18.429 28.888 -6.525 169 HB3 ASP 25 3HB ASP 25 19.273 29.135 -4.999 170 H ALA 26 H ALA 26 18.475 28.513 -3.206 171 HA ALA 26 HA ALA 26 16.024 27.509 -2.167 172 HB1 ALA 26 1HB ALA 26 17.490 30.027 -1.392 173 HB2 ALA 26 2HB ALA 26 16.274 29.176 -0.438 174 HB3 ALA 26 3HB ALA 26 17.835 28.419 -0.756 175 H GLU 27 H GLU 27 16.925 30.412 -3.966 176 HA GLU 27 HA GLU 27 14.541 31.834 -3.740 177 HB2 GLU 27 2HB GLU 27 15.214 32.927 -5.872 178 HB3 GLU 27 3HB GLU 27 16.500 32.874 -4.675 179 HG2 GLU 27 2HG GLU 27 17.399 30.861 -5.842 180 HG3 GLU 27 3HG GLU 27 16.200 31.131 -7.106 181 H GLU 28 H GLU 28 15.492 29.346 -6.075 182 HA GLU 28 HA GLU 28 13.201 29.497 -7.699 183 HB2 GLU 28 2HB GLU 28 15.450 27.648 -7.334 184 HB3 GLU 28 3HB GLU 28 13.973 26.871 -7.886 185 HG2 GLU 28 2HG GLU 28 14.312 27.591 -9.944 186 HG3 GLU 28 3HG GLU 28 14.387 29.261 -9.386 187 H MET 29 H MET 29 13.955 27.464 -4.891 188 HA MET 29 HA MET 29 11.634 25.908 -4.903 189 HB2 MET 29 2HB MET 29 13.781 25.691 -3.474 190 HB3 MET 29 3HB MET 29 12.973 26.785 -2.360 191 HG2 MET 29 2HG MET 29 11.051 24.893 -2.839 192 HG3 MET 29 3HG MET 29 12.540 23.950 -2.849 193 HE1 MET 29 1HE MET 29 14.110 23.740 -1.278 194 HE2 MET 29 2HE MET 29 14.138 24.313 0.390 195 HE3 MET 29 3HE MET 29 13.192 22.886 -0.037 196 H ALA 30 H ALA 30 12.308 29.003 -3.303 197 HA ALA 30 HA ALA 30 9.835 29.249 -1.985 198 HB1 ALA 30 1HB ALA 30 11.006 31.784 -2.818 199 HB2 ALA 30 2HB ALA 30 10.697 31.154 -1.199 200 HB3 ALA 30 3HB ALA 30 12.168 30.695 -2.059 201 H LEU 31 H LEU 31 10.937 30.464 -5.136 202 HA LEU 31 HA LEU 31 8.660 31.898 -5.843 203 HB2 LEU 31 2HB LEU 31 11.034 30.949 -7.122 204 HB3 LEU 31 3HB LEU 31 9.654 30.670 -8.182 205 HG LEU 31 HG LEU 31 10.769 32.796 -8.663 206 HD11 LEU 31 1HD1 LEU 31 8.087 32.339 -8.462 207 HD12 LEU 31 2HD1 LEU 31 8.824 33.765 -9.191 208 HD13 LEU 31 3HD1 LEU 31 8.281 33.815 -7.514 209 HD21 LEU 31 1HD2 LEU 31 10.630 34.638 -7.042 210 HD22 LEU 31 2HD2 LEU 31 11.627 33.307 -6.452 211 HD23 LEU 31 3HD2 LEU 31 9.985 33.519 -5.841 212 H ALA 32 H ALA 32 9.440 28.482 -6.415 213 HA ALA 32 HA ALA 32 7.116 27.834 -7.855 214 HB1 ALA 32 1HB ALA 32 8.256 25.946 -8.073 215 HB2 ALA 32 2HB ALA 32 9.378 26.453 -6.810 216 HB3 ALA 32 3HB ALA 32 7.918 25.558 -6.386 217 H MET 33 H MET 33 7.865 27.389 -4.397 218 HA MET 33 HA MET 33 5.472 26.281 -3.579 219 HB2 MET 33 2HB MET 33 7.334 28.159 -2.125 220 HB3 MET 33 3HB MET 33 5.981 27.351 -1.346 221 HG2 MET 33 2HG MET 33 8.193 25.891 -2.762 222 HG3 MET 33 3HG MET 33 8.210 26.261 -1.040 223 HE1 MET 33 1HE MET 33 6.064 22.941 -3.205 224 HE2 MET 33 2HE MET 33 6.817 24.364 -3.926 225 HE3 MET 33 3HE MET 33 7.807 23.177 -3.075 226 H LYS 34 H LYS 34 6.306 29.699 -3.970 227 HA LYS 34 HA LYS 34 3.884 30.744 -2.964 228 HB2 LYS 34 2HB LYS 34 6.087 31.973 -3.380 229 HB3 LYS 34 3HB LYS 34 5.593 32.065 -5.066 230 HG2 LYS 34 2HG LYS 34 3.392 33.061 -3.973 231 HG3 LYS 34 3HG LYS 34 4.530 33.483 -2.692 232 HD2 LYS 34 2HD LYS 34 4.939 34.155 -5.603 233 HD3 LYS 34 3HD LYS 34 4.218 35.257 -4.427 234 HE2 LYS 34 2HE LYS 34 6.393 34.749 -3.067 235 HE3 LYS 34 3HE LYS 34 7.031 34.273 -4.640 236 HZ1 LYS 34 1HZ LYS 34 6.708 36.860 -3.594 237 HZ2 LYS 34 2HZ LYS 34 5.725 36.713 -4.963 238 HZ3 LYS 34 3HZ LYS 34 7.383 36.400 -5.076 239 H GLY 35 H GLY 35 4.965 30.084 -6.291 240 HA2 GLY 35 2HA GLY 35 2.695 30.979 -7.635 241 HA3 GLY 35 3HA GLY 35 3.774 29.720 -8.218 242 H LEU 36 H LEU 36 3.311 27.869 -6.089 243 HA LEU 36 HA LEU 36 0.842 26.728 -7.051 244 HB2 LEU 36 2HB LEU 36 2.872 25.769 -5.043 245 HB3 LEU 36 3HB LEU 36 1.448 24.847 -5.521 246 HG LEU 36 HG LEU 36 3.428 25.737 -7.583 247 HD11 LEU 36 1HD1 LEU 36 4.501 24.503 -5.571 248 HD12 LEU 36 2HD1 LEU 36 4.861 23.965 -7.211 249 HD13 LEU 36 3HD1 LEU 36 3.688 23.084 -6.232 250 HD21 LEU 36 1HD2 LEU 36 1.333 23.613 -7.317 251 HD22 LEU 36 2HD2 LEU 36 2.635 23.459 -8.498 252 HD23 LEU 36 3HD2 LEU 36 1.531 24.833 -8.575 253 H GLY 37 H GLY 37 1.928 28.482 -4.266 254 HA2 GLY 37 2HA GLY 37 0.750 29.374 -2.504 255 HA3 GLY 37 3HA GLY 37 -0.723 28.902 -3.340 256 H PHE 38 H PHE 38 1.577 26.425 -2.721 257 HA PHE 38 HA PHE 38 0.073 25.558 -0.347 258 HB2 PHE 38 2HB PHE 38 0.893 23.807 -2.676 259 HB3 PHE 38 3HB PHE 38 0.164 23.231 -1.180 260 HD1 PHE 38 HD1 PHE 38 -0.634 23.448 -4.361 261 HD2 PHE 38 HD2 PHE 38 -1.959 25.135 -0.684 262 HE1 PHE 38 HE1 PHE 38 -2.871 23.789 -5.327 263 HE2 PHE 38 HE2 PHE 38 -4.198 25.477 -1.645 264 HZ PHE 38 HZ PHE 38 -4.657 24.803 -3.969 265 H GLY 39 H GLY 39 1.246 24.546 1.244 266 HA2 GLY 39 2HA GLY 39 3.098 23.975 2.473 267 HA3 GLY 39 3HA GLY 39 3.802 23.430 0.958 268 H ASP 40 H ASP 40 2.814 26.716 1.804 269 HA ASP 40 HA ASP 40 5.391 27.723 0.998 270 HB2 ASP 40 2HB ASP 40 3.294 28.930 0.470 271 HB3 ASP 40 3HB ASP 40 3.034 29.197 2.192 272 H LEU 41 H LEU 41 7.073 27.630 2.326 273 HA LEU 41 HA LEU 41 6.627 27.872 5.218 274 HB2 LEU 41 2HB LEU 41 8.753 26.614 3.543 275 HB3 LEU 41 3HB LEU 41 9.134 27.128 5.186 276 HG LEU 41 HG LEU 41 8.596 24.741 5.062 277 HD11 LEU 41 1HD1 LEU 41 6.953 24.693 6.864 278 HD12 LEU 41 2HD1 LEU 41 6.523 26.369 6.526 279 HD13 LEU 41 3HD1 LEU 41 8.138 25.975 7.116 280 HD21 LEU 41 1HD2 LEU 41 5.855 25.657 4.195 281 HD22 LEU 41 2HD2 LEU 41 6.345 23.998 4.541 282 HD23 LEU 41 3HD2 LEU 41 7.039 24.854 3.164 283 HA PRO 42 HA PRO 42 8.575 31.793 5.513 284 HB2 PRO 42 2HB PRO 42 9.984 31.561 7.822 285 HB3 PRO 42 3HB PRO 42 8.222 31.687 7.781 286 HG2 PRO 42 2HG PRO 42 9.941 29.253 8.067 287 HG3 PRO 42 3HG PRO 42 8.458 29.684 8.939 288 HD2 PRO 42 2HD PRO 42 8.477 27.929 6.878 289 HD3 PRO 42 3HD PRO 42 7.093 28.988 7.218 290 H ARG 43 H ARG 43 10.651 32.926 5.587 291 HA ARG 43 HA ARG 43 12.568 31.771 3.892 292 HB2 ARG 43 2HB ARG 43 13.956 33.754 4.461 293 HB3 ARG 43 3HB ARG 43 12.312 34.166 3.992 294 HG2 ARG 43 2HG ARG 43 12.322 35.447 5.817 295 HG3 ARG 43 3HG ARG 43 12.076 33.938 6.697 296 HD2 ARG 43 2HD ARG 43 14.680 33.798 6.615 297 HD3 ARG 43 3HD ARG 43 14.574 35.534 6.323 298 HE ARG 43 HE ARG 43 14.169 34.193 8.799 299 HH11 ARG 43 1HH1 ARG 43 13.120 36.919 6.906 300 HH12 ARG 43 2HH1 ARG 43 12.648 37.860 8.282 301 HH21 ARG 43 1HH2 ARG 43 13.552 35.421 10.620 302 HH22 ARG 43 2HH2 ARG 43 12.895 37.007 10.394 303 H ASP 44 H ASP 44 12.457 32.145 7.400 304 HA ASP 44 HA ASP 44 15.071 31.340 7.987 305 HB2 ASP 44 2HB ASP 44 14.061 30.648 10.223 306 HB3 ASP 44 3HB ASP 44 13.821 32.325 9.740 307 H GLU 45 H GLU 45 12.131 29.459 7.465 308 HA GLU 45 HA GLU 45 13.251 26.954 8.194 309 HB2 GLU 45 2HB GLU 45 10.818 27.394 8.138 310 HB3 GLU 45 3HB GLU 45 10.897 27.531 6.388 311 HG2 GLU 45 2HG GLU 45 11.846 25.045 7.740 312 HG3 GLU 45 3HG GLU 45 10.125 25.313 7.471 313 H VAL 46 H VAL 46 13.122 28.790 5.220 314 HA VAL 46 HA VAL 46 13.897 26.689 3.474 315 HB VAL 46 HB VAL 46 14.252 29.668 3.117 316 HG11 VAL 46 1HG1 VAL 46 14.480 27.343 1.231 317 HG12 VAL 46 2HG1 VAL 46 14.150 28.981 0.661 318 HG13 VAL 46 3HG1 VAL 46 15.642 28.633 1.536 319 HG21 VAL 46 1HG2 VAL 46 11.915 27.954 3.045 320 HG22 VAL 46 2HG2 VAL 46 12.023 29.714 3.023 321 HG23 VAL 46 3HG2 VAL 46 12.161 28.803 1.519 322 H GLU 47 H GLU 47 15.745 29.426 4.827 323 HA GLU 47 HA GLU 47 18.245 28.595 3.848 324 HB2 GLU 47 2HB GLU 47 19.189 30.141 5.544 325 HB3 GLU 47 3HB GLU 47 17.910 30.869 4.584 326 HG2 GLU 47 2HG GLU 47 17.263 31.578 6.631 327 HG3 GLU 47 3HG GLU 47 16.419 30.031 6.601 328 H ARG 48 H ARG 48 16.571 27.941 6.886 329 HA ARG 48 HA ARG 48 18.691 26.652 8.210 330 HB2 ARG 48 2HB ARG 48 16.653 27.435 9.349 331 HB3 ARG 48 3HB ARG 48 15.718 26.200 8.516 332 HG2 ARG 48 2HG ARG 48 17.747 24.770 9.718 333 HG3 ARG 48 3HG ARG 48 17.340 26.007 10.909 334 HD2 ARG 48 2HD ARG 48 15.126 24.539 9.569 335 HD3 ARG 48 3HD ARG 48 16.055 23.703 10.812 336 HE ARG 48 HE ARG 48 15.411 26.066 11.977 337 HH11 ARG 48 1HH1 ARG 48 13.569 23.574 10.391 338 HH12 ARG 48 2HH1 ARG 48 12.141 23.847 11.334 339 HH21 ARG 48 1HH2 ARG 48 13.537 26.435 13.225 340 HH22 ARG 48 2HH2 ARG 48 12.124 25.476 12.945 341 H THR 49 H THR 49 16.023 25.337 6.262 342 HA THR 49 HA THR 49 16.711 22.631 6.506 343 HB THR 49 HB THR 49 15.306 24.019 4.215 344 HG1 THR 49 HG1 THR 49 14.041 22.476 6.206 345 HG21 THR 49 1HG2 THR 49 14.295 21.587 4.100 346 HG22 THR 49 2HG2 THR 49 15.839 21.150 4.832 347 HG23 THR 49 3HG2 THR 49 15.804 21.980 3.277 348 H VAL 50 H VAL 50 17.654 25.055 4.098 349 HA VAL 50 HA VAL 50 19.100 23.333 2.409 350 HB VAL 50 HB VAL 50 19.528 26.284 2.898 351 HG11 VAL 50 1HG1 VAL 50 20.544 26.251 0.635 352 HG12 VAL 50 2HG1 VAL 50 21.467 25.338 1.831 353 HG13 VAL 50 3HG1 VAL 50 20.456 24.490 0.660 354 HG21 VAL 50 1HG2 VAL 50 18.208 25.444 0.435 355 HG22 VAL 50 2HG2 VAL 50 17.293 25.053 1.891 356 HG23 VAL 50 3HG2 VAL 50 17.776 26.719 1.575 357 H ARG 51 H ARG 51 20.057 25.199 5.252 358 HA ARG 51 HA ARG 51 22.831 24.702 5.059 359 HB2 ARG 51 2HB ARG 51 21.563 26.431 6.507 360 HB3 ARG 51 3HB ARG 51 21.395 25.119 7.666 361 HG2 ARG 51 2HG ARG 51 24.102 25.733 6.599 362 HG3 ARG 51 3HG ARG 51 23.392 26.815 7.799 363 HD2 ARG 51 2HD ARG 51 22.892 24.314 8.834 364 HD3 ARG 51 3HD ARG 51 24.488 24.133 8.108 365 HE ARG 51 HE ARG 51 24.485 26.494 9.591 366 HH11 ARG 51 1HH1 ARG 51 24.224 23.062 10.113 367 HH12 ARG 51 2HH1 ARG 51 24.924 23.118 11.697 368 HH21 ARG 51 1HH2 ARG 51 25.408 26.581 11.675 369 HH22 ARG 51 2HH2 ARG 51 25.596 25.120 12.585 370 H SER 52 H SER 52 20.209 23.021 6.736 371 HA SER 52 HA SER 52 21.832 21.140 8.079 372 HB2 SER 52 2HB SER 52 18.980 20.681 7.192 373 HB3 SER 52 3HB SER 52 19.809 19.970 8.576 374 HG SER 52 HG SER 52 19.934 22.115 9.449 375 H MET 53 H MET 53 20.056 20.968 5.006 376 HA MET 53 HA MET 53 20.811 18.317 4.384 377 HB2 MET 53 2HB MET 53 19.838 20.614 2.693 378 HB3 MET 53 3HB MET 53 20.203 19.035 2.010 379 HG2 MET 53 2HG MET 53 18.571 18.088 3.703 380 HG3 MET 53 3HG MET 53 18.074 19.753 3.996 381 HE1 MET 53 1HE MET 53 18.149 20.790 0.481 382 HE2 MET 53 2HE MET 53 16.456 20.984 0.936 383 HE3 MET 53 3HE MET 53 17.730 21.335 2.105 384 H ASN 54 H ASN 54 21.873 21.270 2.690 385 HA ASN 54 HA ASN 54 24.257 19.941 1.765 386 HB2 ASN 54 2HB ASN 54 22.757 21.868 0.663 387 HB3 ASN 54 3HB ASN 54 23.952 22.884 1.464 388 HD21 ASN 54 1HD2 ASN 54 24.738 23.582 -0.533 389 HD22 ASN 54 2HD2 ASN 54 25.737 22.574 -1.519 390 H THR 55 H THR 55 25.698 19.543 3.358 391 HA THR 55 HA THR 55 26.207 21.023 5.631 392 HB THR 55 HB THR 55 27.124 18.795 5.356 393 HG1 THR 55 HG1 THR 55 29.238 19.256 6.139 394 HG21 THR 55 1HG2 THR 55 28.924 18.281 3.857 395 HG22 THR 55 2HG2 THR 55 29.066 19.969 3.367 396 HG23 THR 55 3HG2 THR 55 27.638 19.037 2.917 397 H ASN 56 H ASN 56 27.368 21.519 2.367 398 HA ASN 56 HA ASN 56 28.842 23.896 3.297 399 HB2 ASN 56 2HB ASN 56 29.399 21.983 1.042 400 HB3 ASN 56 3HB ASN 56 30.067 23.612 1.038 401 HD21 ASN 56 1HD2 ASN 56 31.454 24.225 2.788 402 HD22 ASN 56 2HD2 ASN 56 32.376 23.023 3.619 403 H ALA 57 H ALA 57 27.376 25.500 3.064 404 HA ALA 57 HA ALA 57 25.418 25.683 1.067 405 HB1 ALA 57 1HB ALA 57 24.758 27.357 2.360 406 HB2 ALA 57 2HB ALA 57 26.252 27.219 3.289 407 HB3 ALA 57 3HB ALA 57 26.176 28.300 1.897 408 H ASN 58 H ASN 58 26.091 25.466 -1.013 409 HA ASN 58 HA ASN 58 28.003 27.478 -2.002 410 HB2 ASN 58 2HB ASN 58 28.503 24.838 -2.033 411 HB3 ASN 58 3HB ASN 58 27.624 24.974 -3.553 412 HD21 ASN 58 1HD2 ASN 58 28.466 26.296 -5.201 413 HD22 ASN 58 2HD2 ASN 58 30.141 26.720 -5.239 414 H GLY 59 H GLY 59 24.898 27.086 -1.824 415 HA2 GLY 59 2HA GLY 59 23.175 28.020 -3.046 416 HA3 GLY 59 3HA GLY 59 24.352 28.493 -4.263 417 H LEU 60 H LEU 60 24.277 25.181 -3.321 418 HA LEU 60 HA LEU 60 22.597 24.477 -5.618 419 HB2 LEU 60 2HB LEU 60 25.465 23.910 -5.247 420 HB3 LEU 60 3HB LEU 60 24.481 22.548 -5.778 421 HG LEU 60 HG LEU 60 23.665 24.372 -7.555 422 HD11 LEU 60 1HD1 LEU 60 25.409 25.938 -6.366 423 HD12 LEU 60 2HD1 LEU 60 25.195 25.975 -8.116 424 HD13 LEU 60 3HD1 LEU 60 26.548 25.090 -7.412 425 HD21 LEU 60 1HD2 LEU 60 24.510 22.211 -8.156 426 HD22 LEU 60 2HD2 LEU 60 26.149 22.669 -7.692 427 HD23 LEU 60 3HD2 LEU 60 25.383 23.428 -9.088 428 H ILE 61 H ILE 61 21.383 22.656 -5.358 429 HA ILE 61 HA ILE 61 21.685 21.234 -2.794 430 HB ILE 61 HB ILE 61 19.131 21.745 -4.325 431 HG12 ILE 61 2HG1 ILE 61 19.912 22.812 -1.612 432 HG13 ILE 61 3HG1 ILE 61 20.201 23.706 -3.101 433 HG21 ILE 61 1HG2 ILE 61 19.821 20.003 -2.040 434 HG22 ILE 61 2HG2 ILE 61 18.317 20.914 -1.914 435 HG23 ILE 61 3HG2 ILE 61 18.573 19.820 -3.273 436 HD11 ILE 61 1HD1 ILE 61 17.511 22.920 -3.168 437 HD12 ILE 61 2HD1 ILE 61 17.821 23.517 -1.537 438 HD13 ILE 61 3HD1 ILE 61 18.165 24.541 -2.931 439 H GLU 62 H GLU 62 21.877 19.076 -2.842 440 HA GLU 62 HA GLU 62 22.009 17.770 -5.428 441 HB2 GLU 62 2HB GLU 62 22.641 16.821 -2.631 442 HB3 GLU 62 3HB GLU 62 22.790 15.805 -4.058 443 HG2 GLU 62 2HG GLU 62 24.298 17.731 -4.940 444 HG3 GLU 62 3HG GLU 62 24.420 18.160 -3.235 445 H TYR 63 H TYR 63 20.678 16.172 -6.161 446 HA TYR 63 HA TYR 63 18.013 16.128 -5.294 447 HB2 TYR 63 2HB TYR 63 17.723 14.258 -6.858 448 HB3 TYR 63 3HB TYR 63 18.672 15.551 -7.583 449 HD1 TYR 63 HD1 TYR 63 18.706 12.104 -6.383 450 HD2 TYR 63 HD2 TYR 63 21.064 15.253 -8.005 451 HE1 TYR 63 HE1 TYR 63 20.482 10.489 -6.921 452 HE2 TYR 63 HE2 TYR 63 22.846 13.646 -8.548 453 HH TYR 63 HH TYR 63 23.450 11.508 -8.582 454 H GLY 64 H GLY 64 20.730 13.983 -4.614 455 HA2 GLY 64 2HA GLY 64 19.301 11.923 -3.339 456 HA3 GLY 64 3HA GLY 64 20.997 12.301 -3.075 457 H GLU 65 H GLU 65 21.007 14.706 -1.904 458 HA GLU 65 HA GLU 65 20.216 14.129 0.748 459 HB2 GLU 65 2HB GLU 65 21.129 16.713 -0.525 460 HB3 GLU 65 3HB GLU 65 20.900 16.494 1.204 461 HG2 GLU 65 2HG GLU 65 22.833 14.953 -0.512 462 HG3 GLU 65 3HG GLU 65 23.244 16.297 0.552 463 H PHE 66 H PHE 66 18.721 15.908 -1.856 464 HA PHE 66 HA PHE 66 16.825 17.348 -0.352 465 HB2 PHE 66 2HB PHE 66 17.461 17.656 -2.811 466 HB3 PHE 66 3HB PHE 66 16.362 16.323 -3.149 467 HD1 PHE 66 HD1 PHE 66 14.236 16.878 -3.784 468 HD2 PHE 66 HD2 PHE 66 16.369 19.518 -1.216 469 HE1 PHE 66 HE1 PHE 66 12.344 18.450 -3.835 470 HE2 PHE 66 HE2 PHE 66 14.481 21.095 -1.263 471 HZ PHE 66 HZ PHE 66 12.464 20.561 -2.572 472 H GLU 67 H GLU 67 16.421 14.325 -2.206 473 HA GLU 67 HA GLU 67 13.816 13.795 -1.267 474 HB2 GLU 67 2HB GLU 67 14.117 11.568 -2.197 475 HB3 GLU 67 3HB GLU 67 14.753 12.778 -3.303 476 HG2 GLU 67 2HG GLU 67 17.026 12.303 -2.416 477 HG3 GLU 67 3HG GLU 67 16.330 10.986 -1.474 478 H ARG 68 H ARG 68 17.003 12.886 -0.084 479 HA ARG 68 HA ARG 68 16.223 10.969 1.803 480 HB2 ARG 68 2HB ARG 68 18.576 11.510 1.021 481 HB3 ARG 68 3HB ARG 68 18.537 12.876 2.129 482 HG2 ARG 68 2HG ARG 68 17.825 10.944 3.826 483 HG3 ARG 68 3HG ARG 68 18.767 9.984 2.684 484 HD2 ARG 68 2HD ARG 68 20.500 11.929 2.953 485 HD3 ARG 68 3HD ARG 68 19.633 12.221 4.460 486 HE ARG 68 HE ARG 68 20.545 10.300 5.326 487 HH11 ARG 68 1HH1 ARG 68 21.074 10.393 1.886 488 HH12 ARG 68 2HH1 ARG 68 22.157 9.040 1.884 489 HH21 ARG 68 1HH2 ARG 68 21.969 8.518 5.336 490 HH22 ARG 68 2HH2 ARG 68 22.664 7.974 3.847 491 H MET 69 H MET 69 16.624 14.482 2.104 492 HA MET 69 HA MET 69 15.993 14.594 4.866 493 HB2 MET 69 2HB MET 69 17.218 16.394 3.785 494 HB3 MET 69 3HB MET 69 15.853 16.725 2.727 495 HG2 MET 69 2HG MET 69 15.961 18.364 4.491 496 HG3 MET 69 3HG MET 69 14.514 17.374 4.668 497 HE1 MET 69 1HE MET 69 18.009 18.180 5.728 498 HE2 MET 69 2HE MET 69 17.085 19.066 6.942 499 HE3 MET 69 3HE MET 69 18.104 17.709 7.425 500 H VAL 70 H VAL 70 14.070 15.306 1.954 501 HA VAL 70 HA VAL 70 11.687 16.022 3.146 502 HB VAL 70 HB VAL 70 12.027 14.410 0.613 503 HG11 VAL 70 1HG1 VAL 70 9.684 15.675 1.916 504 HG12 VAL 70 2HG1 VAL 70 9.816 15.815 0.162 505 HG13 VAL 70 3HG1 VAL 70 9.781 14.223 0.921 506 HG21 VAL 70 1HG2 VAL 70 11.403 17.187 0.236 507 HG22 VAL 70 2HG2 VAL 70 12.858 17.019 1.219 508 HG23 VAL 70 3HG2 VAL 70 12.775 16.259 -0.370 509 H LYS 71 H LYS 71 12.833 12.763 2.331 510 HA LYS 71 HA LYS 71 10.520 11.390 3.176 511 HB2 LYS 71 2HB LYS 71 12.457 10.523 1.742 512 HB3 LYS 71 3HB LYS 71 13.309 10.254 3.257 513 HG2 LYS 71 2HG LYS 71 10.594 9.138 3.131 514 HG3 LYS 71 3HG LYS 71 11.767 8.414 2.029 515 HD2 LYS 71 2HD LYS 71 12.327 8.816 4.958 516 HD3 LYS 71 3HD LYS 71 11.562 7.355 4.329 517 HE2 LYS 71 2HE LYS 71 13.642 7.444 2.680 518 HE3 LYS 71 3HE LYS 71 14.352 8.332 4.028 519 HZ1 LYS 71 1HZ LYS 71 14.039 5.570 3.757 520 HZ2 LYS 71 2HZ LYS 71 13.052 6.064 5.038 521 HZ3 LYS 71 3HZ LYS 71 14.705 6.422 5.059 522 H SER 72 H SER 72 13.350 12.548 4.878 523 HA SER 72 HA SER 72 12.988 11.066 7.260 524 HB2 SER 72 2HB SER 72 14.722 13.189 6.314 525 HB3 SER 72 3HB SER 72 14.222 13.474 7.981 526 HG SER 72 HG SER 72 15.621 11.276 6.900 527 H ARG 73 H ARG 73 12.203 14.464 6.507 528 HA ARG 73 HA ARG 73 10.844 14.985 8.910 529 HB2 ARG 73 2HB ARG 73 9.854 16.913 7.665 530 HB3 ARG 73 3HB ARG 73 11.606 16.814 7.558 531 HG2 ARG 73 2HG ARG 73 11.416 15.816 5.335 532 HG3 ARG 73 3HG ARG 73 9.658 15.923 5.443 533 HD2 ARG 73 2HD ARG 73 11.500 18.298 5.651 534 HD3 ARG 73 3HD ARG 73 10.758 17.764 4.143 535 HE ARG 73 HE ARG 73 8.637 18.046 5.784 536 HH11 ARG 73 1HH1 ARG 73 11.301 20.135 4.972 537 HH12 ARG 73 2HH1 ARG 73 10.395 21.594 5.196 538 HH21 ARG 73 1HH2 ARG 73 7.433 19.960 6.082 539 HH22 ARG 73 2HH2 ARG 73 8.195 21.494 5.828 540 H MET 74 H MET 74 9.717 13.799 5.780 541 HA MET 74 HA MET 74 6.956 13.907 6.339 542 HB2 MET 74 2HB MET 74 8.636 12.387 4.375 543 HB3 MET 74 3HB MET 74 6.922 12.026 4.529 544 HG2 MET 74 2HG MET 74 7.981 14.786 3.995 545 HG3 MET 74 3HG MET 74 7.545 13.649 2.722 546 HE1 MET 74 1HE MET 74 4.897 16.135 5.402 547 HE2 MET 74 2HE MET 74 6.639 15.878 5.494 548 HE3 MET 74 3HE MET 74 5.954 16.809 4.161 549 H ALA 75 H ALA 75 9.435 11.550 7.065 550 HA ALA 75 HA ALA 75 7.947 9.296 7.625 551 HB1 ALA 75 1HB ALA 75 10.331 10.267 9.196 552 HB2 ALA 75 2HB ALA 75 9.746 8.606 9.081 553 HB3 ALA 75 3HB ALA 75 10.413 9.407 7.658 554 H GLN 76 H GLN 76 8.377 12.197 9.560 555 HA GLN 76 HA GLN 76 7.196 11.162 11.932 556 HB2 GLN 76 2HB GLN 76 8.691 13.115 11.942 557 HB3 GLN 76 3HB GLN 76 7.502 14.029 11.022 558 HG2 GLN 76 2HG GLN 76 6.975 14.777 13.084 559 HG3 GLN 76 3HG GLN 76 5.959 13.336 13.067 560 HE21 GLN 76 1HE2 GLN 76 6.884 11.381 14.026 561 HE22 GLN 76 2HE2 GLN 76 7.935 11.544 15.387 562 H LYS 77 H LYS 77 5.967 12.975 9.163 563 HA LYS 77 HA LYS 77 3.314 13.198 10.261 564 HB2 LYS 77 2HB LYS 77 4.732 14.121 7.855 565 HB3 LYS 77 3HB LYS 77 3.037 13.733 7.591 566 HG2 LYS 77 2HG LYS 77 2.945 15.967 8.128 567 HG3 LYS 77 3HG LYS 77 2.636 15.204 9.690 568 HD2 LYS 77 2HD LYS 77 5.362 15.379 9.674 569 HD3 LYS 77 3HD LYS 77 4.899 16.843 8.803 570 HE2 LYS 77 2HE LYS 77 3.395 16.223 11.276 571 HE3 LYS 77 3HE LYS 77 5.075 16.719 11.473 572 HZ1 LYS 77 1HZ LYS 77 2.943 18.382 11.160 573 HZ2 LYS 77 2HZ LYS 77 3.652 18.376 9.624 574 HZ3 LYS 77 3HZ LYS 77 4.569 18.812 10.977 575 H ASP 78 H ASP 78 1.443 12.161 9.493 576 HA ASP 78 HA ASP 78 1.779 9.890 7.693 577 HB2 ASP 78 2HB ASP 78 1.350 9.683 10.590 578 HB3 ASP 78 3HB ASP 78 0.196 8.761 9.630 579 H SER 79 H SER 79 -0.536 8.741 7.586 580 HA SER 79 HA SER 79 -2.266 10.664 6.434 581 HB2 SER 79 2HB SER 79 -2.328 7.728 6.890 582 HB3 SER 79 3HB SER 79 -3.879 8.524 6.620 583 HG SER 79 HG SER 79 -2.302 7.747 4.774 584 HA PRO 80 HA PRO 80 -4.888 11.908 9.722 585 HB2 PRO 80 2HB PRO 80 -7.332 11.954 8.539 586 HB3 PRO 80 3HB PRO 80 -6.071 13.142 8.186 587 HG2 PRO 80 2HG PRO 80 -6.862 10.703 6.641 588 HG3 PRO 80 3HG PRO 80 -6.471 12.327 6.045 589 HD2 PRO 80 2HD PRO 80 -4.700 10.281 5.965 590 HD3 PRO 80 3HD PRO 80 -4.199 11.970 6.187 591 H GLU 81 H GLU 81 -5.953 9.044 7.943 592 HA GLU 81 HA GLU 81 -7.747 8.163 9.998 593 HB2 GLU 81 2HB GLU 81 -6.696 6.991 7.450 594 HB3 GLU 81 3HB GLU 81 -7.519 5.953 8.607 595 HG2 GLU 81 2HG GLU 81 -9.457 7.519 8.519 596 HG3 GLU 81 3HG GLU 81 -8.636 8.372 7.214 597 H GLU 82 H GLU 82 -4.438 7.409 9.036 598 HA GLU 82 HA GLU 82 -4.035 5.200 10.722 599 HB2 GLU 82 2HB GLU 82 -2.386 6.985 9.107 600 HB3 GLU 82 3HB GLU 82 -1.564 6.438 10.562 601 HG2 GLU 82 2HG GLU 82 -1.890 4.141 9.951 602 HG3 GLU 82 3HG GLU 82 -2.881 4.608 8.571 603 H VAL 83 H VAL 83 -3.160 8.620 11.217 604 HA VAL 83 HA VAL 83 -2.174 8.358 13.816 605 HB VAL 83 HB VAL 83 -3.563 10.758 12.617 606 HG11 VAL 83 1HG1 VAL 83 -3.366 10.899 15.046 607 HG12 VAL 83 2HG1 VAL 83 -1.637 10.561 14.931 608 HG13 VAL 83 3HG1 VAL 83 -2.292 12.053 14.255 609 HG21 VAL 83 1HG2 VAL 83 -0.748 11.049 12.694 610 HG22 VAL 83 2HG2 VAL 83 -1.101 9.493 11.944 611 HG23 VAL 83 3HG2 VAL 83 -1.801 10.969 11.281 612 H LEU 84 H LEU 84 -5.458 9.014 12.666 613 HA LEU 84 HA LEU 84 -6.671 9.512 15.127 614 HB2 LEU 84 2HB LEU 84 -7.520 8.828 12.429 615 HB3 LEU 84 3HB LEU 84 -8.600 8.187 13.665 616 HG LEU 84 HG LEU 84 -7.812 11.080 13.665 617 HD11 LEU 84 1HD1 LEU 84 -8.804 10.195 11.419 618 HD12 LEU 84 2HD1 LEU 84 -9.428 11.676 12.143 619 HD13 LEU 84 3HD1 LEU 84 -10.316 10.164 12.327 620 HD21 LEU 84 1HD2 LEU 84 -8.949 10.016 15.623 621 HD22 LEU 84 2HD2 LEU 84 -10.333 9.703 14.575 622 HD23 LEU 84 3HD2 LEU 84 -9.831 11.362 14.902 623 H LYS 85 H LYS 85 -6.442 6.437 13.341 624 HA LYS 85 HA LYS 85 -7.690 4.834 15.263 625 HB2 LYS 85 2HB LYS 85 -7.285 4.081 12.972 626 HB3 LYS 85 3HB LYS 85 -5.550 4.091 13.260 627 HG2 LYS 85 2HG LYS 85 -6.973 2.477 15.203 628 HG3 LYS 85 3HG LYS 85 -7.248 1.939 13.545 629 HD2 LYS 85 2HD LYS 85 -4.515 2.474 14.696 630 HD3 LYS 85 3HD LYS 85 -5.281 0.884 14.695 631 HE2 LYS 85 2HE LYS 85 -4.822 2.518 12.207 632 HE3 LYS 85 3HE LYS 85 -3.683 1.312 12.802 633 HZ1 LYS 85 1HZ LYS 85 -4.911 -0.323 11.970 634 HZ2 LYS 85 2HZ LYS 85 -5.795 0.852 11.135 635 HZ3 LYS 85 3HZ LYS 85 -6.344 0.288 12.632 636 H ALA 86 H ALA 86 -4.319 5.801 14.888 637 HA ALA 86 HA ALA 86 -3.168 4.111 16.793 638 HB1 ALA 86 1HB ALA 86 -2.005 6.795 16.677 639 HB2 ALA 86 2HB ALA 86 -1.276 5.223 16.343 640 HB3 ALA 86 3HB ALA 86 -2.233 6.033 15.102 641 H PHE 87 H PHE 87 -4.391 7.435 17.173 642 HA PHE 87 HA PHE 87 -3.867 7.663 19.918 643 HB2 PHE 87 2HB PHE 87 -4.527 9.492 18.228 644 HB3 PHE 87 3HB PHE 87 -6.189 9.016 18.561 645 HD1 PHE 87 HD1 PHE 87 -3.182 9.498 20.719 646 HD2 PHE 87 HD2 PHE 87 -7.214 10.579 19.886 647 HE1 PHE 87 HE1 PHE 87 -3.197 10.956 22.700 648 HE2 PHE 87 HE2 PHE 87 -7.235 12.039 21.866 649 HZ PHE 87 HZ PHE 87 -5.225 12.230 23.276 650 H GLN 88 H GLN 88 -6.825 6.688 18.209 651 HA GLN 88 HA GLN 88 -8.504 6.345 20.380 652 HB2 GLN 88 2HB GLN 88 -8.690 5.894 17.685 653 HB3 GLN 88 3HB GLN 88 -8.765 4.259 18.328 654 HG2 GLN 88 2HG GLN 88 -10.501 5.523 19.968 655 HG3 GLN 88 3HG GLN 88 -10.716 6.445 18.481 656 HE21 GLN 88 1HE2 GLN 88 -12.808 5.051 19.417 657 HE22 GLN 88 2HE2 GLN 88 -13.116 3.667 18.430 658 H LEU 89 H LEU 89 -6.296 3.971 18.919 659 HA LEU 89 HA LEU 89 -6.905 1.854 20.668 660 HB2 LEU 89 2HB LEU 89 -5.722 1.616 18.512 661 HB3 LEU 89 3HB LEU 89 -4.312 2.395 19.227 662 HG LEU 89 HG LEU 89 -4.926 0.231 20.905 663 HD11 LEU 89 1HD1 LEU 89 -6.311 -0.778 19.239 664 HD12 LEU 89 2HD1 LEU 89 -4.781 -1.654 19.282 665 HD13 LEU 89 3HD1 LEU 89 -5.100 -0.499 17.988 666 HD21 LEU 89 1HD2 LEU 89 -2.792 0.942 18.948 667 HD22 LEU 89 2HD2 LEU 89 -2.796 -0.668 19.669 668 HD23 LEU 89 3HD2 LEU 89 -2.701 0.760 20.700 669 H PHE 90 H PHE 90 -4.463 4.408 20.815 670 HA PHE 90 HA PHE 90 -3.110 3.463 23.098 671 HB2 PHE 90 2HB PHE 90 -3.144 5.896 21.483 672 HB3 PHE 90 3HB PHE 90 -2.846 6.218 23.188 673 HD1 PHE 90 HD1 PHE 90 -1.759 3.755 20.600 674 HD2 PHE 90 HD2 PHE 90 -0.654 6.294 23.833 675 HE1 PHE 90 HE1 PHE 90 0.595 3.098 20.307 676 HE2 PHE 90 HE2 PHE 90 1.701 5.643 23.544 677 HZ PHE 90 HZ PHE 90 2.328 4.043 21.779 678 H ASP 91 H ASP 91 -6.000 5.391 22.687 679 HA ASP 91 HA ASP 91 -6.649 5.019 25.488 680 HB2 ASP 91 2HB ASP 91 -7.263 7.535 25.612 681 HB3 ASP 91 3HB ASP 91 -5.578 7.067 25.828 682 H LEU 92 H LEU 92 -8.660 4.288 25.491 683 HA LEU 92 HA LEU 92 -10.387 4.303 23.309 684 HB2 LEU 92 2HB LEU 92 -12.151 3.698 24.966 685 HB3 LEU 92 3HB LEU 92 -10.700 2.699 25.028 686 HG LEU 92 HG LEU 92 -10.379 4.813 26.896 687 HD11 LEU 92 1HD1 LEU 92 -12.853 3.271 27.549 688 HD12 LEU 92 2HD1 LEU 92 -12.961 4.769 26.624 689 HD13 LEU 92 3HD1 LEU 92 -12.254 4.780 28.239 690 HD21 LEU 92 1HD2 LEU 92 -10.797 1.840 27.100 691 HD22 LEU 92 2HD2 LEU 92 -10.443 2.860 28.495 692 HD23 LEU 92 3HD2 LEU 92 -9.280 2.737 27.175 693 H ASP 93 H ASP 93 -10.013 6.598 25.931 694 HA ASP 93 HA ASP 93 -12.262 8.179 24.914 695 HB2 ASP 93 2HB ASP 93 -11.159 7.719 27.523 696 HB3 ASP 93 3HB ASP 93 -11.097 9.442 27.162 697 H LYS 94 H LYS 94 -11.762 10.678 25.277 698 HA LYS 94 HA LYS 94 -9.155 11.257 24.035 699 HB2 LYS 94 2HB LYS 94 -10.361 13.100 22.781 700 HB3 LYS 94 3HB LYS 94 -10.712 11.458 22.258 701 HG2 LYS 94 2HG LYS 94 -12.506 12.601 24.306 702 HG3 LYS 94 3HG LYS 94 -12.600 13.296 22.686 703 HD2 LYS 94 2HD LYS 94 -13.484 11.416 21.789 704 HD3 LYS 94 3HD LYS 94 -12.539 10.348 22.829 705 HE2 LYS 94 2HE LYS 94 -14.067 10.470 24.560 706 HE3 LYS 94 3HE LYS 94 -14.734 12.003 24.001 707 HZ1 LYS 94 1HZ LYS 94 -15.396 9.288 23.197 708 HZ2 LYS 94 2HZ LYS 94 -15.367 10.439 21.958 709 HZ3 LYS 94 3HZ LYS 94 -16.381 10.660 23.294 710 H LYS 95 H LYS 95 -8.623 11.647 26.344 711 HA LYS 95 HA LYS 95 -9.810 13.815 27.751 712 HB2 LYS 95 2HB LYS 95 -7.798 13.617 29.227 713 HB3 LYS 95 3HB LYS 95 -8.683 12.113 29.006 714 HG2 LYS 95 2HG LYS 95 -6.713 12.228 26.986 715 HG3 LYS 95 3HG LYS 95 -5.937 12.663 28.511 716 HD2 LYS 95 2HD LYS 95 -7.642 10.211 28.072 717 HD3 LYS 95 3HD LYS 95 -5.877 10.233 28.055 718 HE2 LYS 95 2HE LYS 95 -6.475 11.481 30.425 719 HE3 LYS 95 3HE LYS 95 -7.738 10.258 30.307 720 HZ1 LYS 95 1HZ LYS 95 -5.897 9.303 31.432 721 HZ2 LYS 95 2HZ LYS 95 -4.806 9.818 30.247 722 HZ3 LYS 95 3HZ LYS 95 -5.939 8.614 29.888 723 H GLY 96 H GLY 96 -7.107 13.517 25.534 724 HA2 GLY 96 2HA GLY 96 -6.020 15.158 24.329 725 HA3 GLY 96 3HA GLY 96 -7.116 16.337 25.033 726 H LYS 97 H LYS 97 -5.507 14.367 27.300 727 HA LYS 97 HA LYS 97 -3.562 16.520 27.819 728 HB2 LYS 97 2HB LYS 97 -5.091 14.810 29.785 729 HB3 LYS 97 3HB LYS 97 -3.745 15.849 30.235 730 HG2 LYS 97 2HG LYS 97 -5.381 17.555 28.844 731 HG3 LYS 97 3HG LYS 97 -6.526 16.515 29.694 732 HD2 LYS 97 2HD LYS 97 -4.219 17.961 30.994 733 HD3 LYS 97 3HD LYS 97 -5.888 18.533 30.985 734 HE2 LYS 97 2HE LYS 97 -5.048 15.859 32.088 735 HE3 LYS 97 3HE LYS 97 -5.172 17.320 33.068 736 HZ1 LYS 97 1HZ LYS 97 -7.533 17.461 32.250 737 HZ2 LYS 97 2HZ LYS 97 -7.200 16.190 33.315 738 HZ3 LYS 97 3HZ LYS 97 -7.345 15.887 31.657 739 H ILE 98 H ILE 98 -1.746 15.670 26.928 740 HA ILE 98 HA ILE 98 -0.786 13.142 28.087 741 HB ILE 98 HB ILE 98 -0.353 13.979 25.218 742 HG12 ILE 98 2HG1 ILE 98 -1.719 11.656 25.058 743 HG13 ILE 98 3HG1 ILE 98 -2.421 12.312 26.533 744 HG21 ILE 98 1HG2 ILE 98 1.506 12.715 25.913 745 HG22 ILE 98 2HG2 ILE 98 0.501 11.588 26.822 746 HG23 ILE 98 3HG2 ILE 98 0.462 11.580 25.059 747 HD11 ILE 98 1HD1 ILE 98 -3.554 13.900 25.433 748 HD12 ILE 98 2HD1 ILE 98 -2.241 14.197 24.292 749 HD13 ILE 98 3HD1 ILE 98 -3.328 12.829 24.051 750 H SER 99 H SER 99 1.214 13.220 28.906 751 HA SER 99 HA SER 99 2.594 15.693 29.084 752 HB2 SER 99 2HB SER 99 3.358 12.876 29.865 753 HB3 SER 99 3HB SER 99 4.396 14.269 30.169 754 HG SER 99 HG SER 99 3.239 14.586 31.881 755 H PHE 100 H PHE 100 4.251 16.505 27.938 756 HA PHE 100 HA PHE 100 4.806 15.647 25.359 757 HB2 PHE 100 2HB PHE 100 6.671 17.222 25.387 758 HB3 PHE 100 3HB PHE 100 5.268 17.926 26.186 759 HD1 PHE 100 HD1 PHE 100 8.702 16.891 26.536 760 HD2 PHE 100 HD2 PHE 100 5.208 18.055 28.669 761 HE1 PHE 100 HE1 PHE 100 10.074 17.349 28.526 762 HE2 PHE 100 HE2 PHE 100 6.574 18.516 30.663 763 HZ PHE 100 HZ PHE 100 9.011 18.164 30.593 764 H ALA 101 H ALA 101 6.393 14.851 28.389 765 HA ALA 101 HA ALA 101 8.696 13.625 27.352 766 HB1 ALA 101 1HB ALA 101 8.917 12.567 29.522 767 HB2 ALA 101 2HB ALA 101 8.420 14.249 29.714 768 HB3 ALA 101 3HB ALA 101 7.239 12.954 29.906 769 H ASN 102 H ASN 102 5.549 12.237 28.263 770 HA ASN 102 HA ASN 102 6.158 9.569 27.663 771 HB2 ASN 102 2HB ASN 102 3.638 11.146 27.946 772 HB3 ASN 102 3HB ASN 102 3.539 9.539 27.232 773 HD21 ASN 102 1HD2 ASN 102 3.324 7.894 28.567 774 HD22 ASN 102 2HD2 ASN 102 3.671 7.910 30.259 775 H LEU 103 H LEU 103 4.650 12.089 25.661 776 HA LEU 103 HA LEU 103 4.194 10.549 23.380 777 HB2 LEU 103 2HB LEU 103 3.250 12.766 23.691 778 HB3 LEU 103 3HB LEU 103 4.858 13.481 23.600 779 HG LEU 103 HG LEU 103 4.673 12.148 21.211 780 HD11 LEU 103 1HD1 LEU 103 2.223 11.779 21.855 781 HD12 LEU 103 2HD1 LEU 103 2.565 12.440 20.257 782 HD13 LEU 103 3HD1 LEU 103 2.022 13.505 21.554 783 HD21 LEU 103 1HD2 LEU 103 5.562 14.243 21.075 784 HD22 LEU 103 2HD2 LEU 103 4.331 14.957 22.118 785 HD23 LEU 103 3HD2 LEU 103 3.951 14.574 20.438 786 H LYS 104 H LYS 104 7.042 12.430 24.335 787 HA LYS 104 HA LYS 104 8.543 12.073 22.000 788 HB2 LYS 104 2HB LYS 104 8.975 13.578 24.076 789 HB3 LYS 104 3HB LYS 104 9.816 12.173 24.717 790 HG2 LYS 104 2HG LYS 104 10.900 12.373 22.227 791 HG3 LYS 104 3HG LYS 104 10.621 14.066 22.640 792 HD2 LYS 104 2HD LYS 104 11.960 12.178 24.554 793 HD3 LYS 104 3HD LYS 104 12.871 13.023 23.300 794 HE2 LYS 104 2HE LYS 104 11.095 14.432 25.281 795 HE3 LYS 104 3HE LYS 104 12.810 14.135 25.567 796 HZ1 LYS 104 1HZ LYS 104 11.789 16.305 24.323 797 HZ2 LYS 104 2HZ LYS 104 12.256 15.340 23.014 798 HZ3 LYS 104 3HZ LYS 104 13.390 15.775 24.191 799 H GLU 105 H GLU 105 8.732 10.248 25.061 800 HA GLU 105 HA GLU 105 10.586 8.350 24.297 801 HB2 GLU 105 2HB GLU 105 9.455 8.742 26.585 802 HB3 GLU 105 3HB GLU 105 8.219 7.634 26.006 803 HG2 GLU 105 2HG GLU 105 9.897 5.898 25.705 804 HG3 GLU 105 3HG GLU 105 11.153 7.007 26.252 805 H VAL 106 H VAL 106 7.042 8.136 24.026 806 HA VAL 106 HA VAL 106 6.871 5.620 22.865 807 HB VAL 106 HB VAL 106 5.090 8.004 22.338 808 HG11 VAL 106 1HG1 VAL 106 4.584 6.442 20.666 809 HG12 VAL 106 2HG1 VAL 106 4.780 5.073 21.762 810 HG13 VAL 106 3HG1 VAL 106 3.389 6.145 21.927 811 HG21 VAL 106 1HG2 VAL 106 3.978 6.035 24.092 812 HG22 VAL 106 2HG2 VAL 106 5.547 6.554 24.708 813 HG23 VAL 106 3HG2 VAL 106 4.285 7.745 24.393 814 H ALA 107 H ALA 107 7.276 8.783 21.311 815 HA ALA 107 HA ALA 107 7.124 7.939 18.651 816 HB1 ALA 107 1HB ALA 107 7.086 10.193 18.675 817 HB2 ALA 107 2HB ALA 107 8.165 10.304 20.067 818 HB3 ALA 107 3HB ALA 107 8.828 10.016 18.458 819 H LYS 108 H LYS 108 10.044 8.524 20.618 820 HA LYS 108 HA LYS 108 11.908 7.624 18.753 821 HB2 LYS 108 2HB LYS 108 11.963 7.683 21.767 822 HB3 LYS 108 3HB LYS 108 13.348 7.172 20.810 823 HG2 LYS 108 2HG LYS 108 12.030 9.832 20.385 824 HG3 LYS 108 3HG LYS 108 13.286 9.590 21.602 825 HD2 LYS 108 2HD LYS 108 14.521 8.475 19.518 826 HD3 LYS 108 3HD LYS 108 13.475 9.595 18.641 827 HE2 LYS 108 2HE LYS 108 14.582 11.012 20.820 828 HE3 LYS 108 3HE LYS 108 15.900 10.127 20.054 829 HZ1 LYS 108 1HZ LYS 108 14.551 11.147 17.946 830 HZ2 LYS 108 2HZ LYS 108 15.938 11.828 18.634 831 HZ3 LYS 108 3HZ LYS 108 14.407 12.387 19.089 832 H LEU 109 H LEU 109 9.888 5.852 20.988 833 HA LEU 109 HA LEU 109 11.229 3.381 20.910 834 HB2 LEU 109 2HB LEU 109 9.329 4.176 22.444 835 HB3 LEU 109 3HB LEU 109 8.251 3.656 21.150 836 HG LEU 109 HG LEU 109 9.571 1.390 21.416 837 HD11 LEU 109 1HD1 LEU 109 10.987 2.669 23.230 838 HD12 LEU 109 2HD1 LEU 109 10.566 0.968 23.428 839 HD13 LEU 109 3HD1 LEU 109 9.641 2.209 24.273 840 HD21 LEU 109 1HD2 LEU 109 7.339 2.453 23.119 841 HD22 LEU 109 2HD2 LEU 109 7.876 0.776 23.224 842 HD23 LEU 109 3HD2 LEU 109 7.246 1.408 21.701 843 H LEU 110 H LEU 110 8.933 4.884 18.737 844 HA LEU 110 HA LEU 110 8.272 2.586 17.231 845 HB2 LEU 110 2HB LEU 110 8.277 5.498 16.453 846 HB3 LEU 110 3HB LEU 110 7.554 4.204 15.500 847 HG LEU 110 HG LEU 110 6.669 5.137 18.229 848 HD11 LEU 110 1HD1 LEU 110 4.763 6.018 17.160 849 HD12 LEU 110 2HD1 LEU 110 5.155 5.226 15.634 850 HD13 LEU 110 3HD1 LEU 110 6.144 6.568 16.210 851 HD21 LEU 110 1HD2 LEU 110 6.027 2.729 16.623 852 HD22 LEU 110 2HD2 LEU 110 4.692 3.543 17.439 853 HD23 LEU 110 3HD2 LEU 110 6.067 2.950 18.372 854 H GLY 111 H GLY 111 11.128 4.409 17.435 855 HA2 GLY 111 2HA GLY 111 13.168 3.825 16.439 856 HA3 GLY 111 3HA GLY 111 12.292 2.856 15.263 857 H GLU 112 H GLU 112 11.152 6.053 15.801 858 HA GLU 112 HA GLU 112 12.153 6.819 13.153 859 HB2 GLU 112 2HB GLU 112 9.628 6.910 14.067 860 HB3 GLU 112 3HB GLU 112 10.165 8.509 14.564 861 HG2 GLU 112 2HG GLU 112 9.127 8.674 12.419 862 HG3 GLU 112 3HG GLU 112 10.857 8.958 12.235 863 H ASN 113 H ASN 113 13.503 8.500 12.853 864 HA ASN 113 HA ASN 113 14.255 10.070 15.231 865 HB2 ASN 113 2HB ASN 113 15.893 8.717 13.161 866 HB3 ASN 113 3HB ASN 113 16.451 10.302 13.688 867 HD21 ASN 113 1HD2 ASN 113 17.682 7.712 14.076 868 HD22 ASN 113 2HD2 ASN 113 17.835 7.495 15.784 869 HA PRO 114 HA PRO 114 12.563 12.955 12.004 870 HB2 PRO 114 2HB PRO 114 11.034 14.377 13.739 871 HB3 PRO 114 3HB PRO 114 10.467 12.904 12.943 872 HG2 PRO 114 2HG PRO 114 11.554 13.264 15.709 873 HG3 PRO 114 3HG PRO 114 10.164 12.304 15.170 874 HD2 PRO 114 2HD PRO 114 12.577 11.199 15.707 875 HD3 PRO 114 3HD PRO 114 11.487 10.554 14.463 876 H GLY 115 H GLY 115 12.597 15.408 12.095 877 HA2 GLY 115 2HA GLY 115 15.167 16.241 13.058 878 HA3 GLY 115 3HA GLY 115 13.998 17.240 12.207 879 H ASP 116 H ASP 116 15.698 17.535 14.736 880 HA ASP 116 HA ASP 116 14.139 17.629 17.018 881 HB2 ASP 116 2HB ASP 116 16.347 19.522 16.183 882 HB3 ASP 116 3HB ASP 116 15.703 19.383 17.817 883 H ASP 117 H ASP 117 14.381 19.961 14.389 884 HA ASP 117 HA ASP 117 12.980 22.080 15.548 885 HB2 ASP 117 2HB ASP 117 12.532 22.816 13.238 886 HB3 ASP 117 3HB ASP 117 14.208 22.318 13.451 887 H VAL 118 H VAL 118 11.833 19.178 13.920 888 HA VAL 118 HA VAL 118 9.104 19.959 13.777 889 HB VAL 118 HB VAL 118 10.237 17.159 13.803 890 HG11 VAL 118 1HG1 VAL 118 8.054 16.647 13.914 891 HG12 VAL 118 2HG1 VAL 118 7.546 18.272 13.451 892 HG13 VAL 118 3HG1 VAL 118 8.031 17.113 12.214 893 HG21 VAL 118 1HG2 VAL 118 11.289 17.933 11.953 894 HG22 VAL 118 2HG2 VAL 118 9.715 17.629 11.217 895 HG23 VAL 118 3HG2 VAL 118 10.150 19.261 11.725 896 H LEU 119 H LEU 119 11.073 18.432 16.222 897 HA LEU 119 HA LEU 119 8.922 17.471 17.824 898 HB2 LEU 119 2HB LEU 119 11.638 17.125 17.794 899 HB3 LEU 119 3HB LEU 119 11.406 18.131 19.223 900 HG LEU 119 HG LEU 119 11.441 15.850 19.918 901 HD11 LEU 119 1HD1 LEU 119 9.543 17.544 20.659 902 HD12 LEU 119 2HD1 LEU 119 9.600 15.884 21.252 903 HD13 LEU 119 3HD1 LEU 119 8.511 16.312 19.933 904 HD21 LEU 119 1HD2 LEU 119 9.484 15.442 17.682 905 HD22 LEU 119 2HD2 LEU 119 9.603 14.304 19.024 906 HD23 LEU 119 3HD2 LEU 119 11.003 14.602 17.993 907 H GLN 120 H GLN 120 11.144 20.232 18.246 908 HA GLN 120 HA GLN 120 9.827 21.343 20.457 909 HB2 GLN 120 2HB GLN 120 11.349 22.926 18.391 910 HB3 GLN 120 3HB GLN 120 11.151 23.291 20.100 911 HG2 GLN 120 2HG GLN 120 12.871 21.211 18.811 912 HG3 GLN 120 3HG GLN 120 13.329 22.497 19.926 913 HE21 GLN 120 1HE2 GLN 120 12.177 22.321 22.108 914 HE22 GLN 120 2HE2 GLN 120 12.142 20.745 22.814 915 H GLU 121 H GLU 121 9.484 21.990 16.987 916 HA GLU 121 HA GLU 121 7.628 24.090 17.213 917 HB2 GLU 121 2HB GLU 121 8.238 22.129 15.011 918 HB3 GLU 121 3HB GLU 121 6.993 23.358 14.835 919 HG2 GLU 121 2HG GLU 121 9.738 24.161 15.671 920 HG3 GLU 121 3HG GLU 121 9.412 23.791 13.978 921 H MET 122 H MET 122 7.168 20.594 16.806 922 HA MET 122 HA MET 122 4.394 20.566 16.577 923 HB2 MET 122 2HB MET 122 5.635 18.572 16.122 924 HB3 MET 122 3HB MET 122 6.300 18.541 17.750 925 HG2 MET 122 2HG MET 122 4.547 17.440 18.555 926 HG3 MET 122 3HG MET 122 3.402 18.505 17.743 927 HE1 MET 122 1HE MET 122 4.733 15.296 18.249 928 HE2 MET 122 2HE MET 122 4.279 14.281 16.880 929 HE3 MET 122 3HE MET 122 5.791 15.189 16.842 930 H ILE 123 H ILE 123 6.357 20.114 19.521 931 HA ILE 123 HA ILE 123 4.231 19.974 21.328 932 HB ILE 123 HB ILE 123 7.019 21.032 21.815 933 HG12 ILE 123 2HG1 ILE 123 6.940 18.725 20.919 934 HG13 ILE 123 3HG1 ILE 123 7.535 18.777 22.575 935 HG21 ILE 123 1HG2 ILE 123 6.135 21.656 23.780 936 HG22 ILE 123 2HG2 ILE 123 4.696 20.663 23.560 937 HG23 ILE 123 3HG2 ILE 123 6.185 19.935 24.162 938 HD11 ILE 123 1HD1 ILE 123 5.374 17.288 21.505 939 HD12 ILE 123 2HD1 ILE 123 6.002 17.300 23.153 940 HD13 ILE 123 3HD1 ILE 123 4.733 18.431 22.685 941 H ALA 124 H ALA 124 5.977 22.752 20.038 942 HA ALA 124 HA ALA 124 4.932 24.723 21.736 943 HB1 ALA 124 1HB ALA 124 6.714 25.485 20.506 944 HB2 ALA 124 2HB ALA 124 6.144 24.739 19.013 945 HB3 ALA 124 3HB ALA 124 5.369 26.203 19.618 946 H GLU 125 H GLU 125 3.752 23.470 18.633 947 HA GLU 125 HA GLU 125 1.559 25.235 18.402 948 HB2 GLU 125 2HB GLU 125 2.498 22.790 17.066 949 HB3 GLU 125 3HB GLU 125 0.752 23.000 17.044 950 HG2 GLU 125 2HG GLU 125 2.086 25.461 16.375 951 HG3 GLU 125 3HG GLU 125 2.618 24.147 15.327 952 H ALA 126 H ALA 126 1.773 21.891 19.597 953 HA ALA 126 HA ALA 126 -0.952 21.653 20.292 954 HB1 ALA 126 1HB ALA 126 1.085 19.907 20.125 955 HB2 ALA 126 2HB ALA 126 1.000 20.109 21.875 956 HB3 ALA 126 3HB ALA 126 -0.420 19.570 20.980 957 H ASP 127 H ASP 127 1.765 23.100 21.890 958 HA ASP 127 HA ASP 127 0.780 23.082 24.536 959 HB2 ASP 127 2HB ASP 127 2.978 24.324 23.078 960 HB3 ASP 127 3HB ASP 127 2.319 25.384 24.322 961 H GLU 128 H GLU 128 0.082 25.063 21.772 962 HA GLU 128 HA GLU 128 -0.978 27.320 23.064 963 HB2 GLU 128 2HB GLU 128 -1.799 26.138 20.405 964 HB3 GLU 128 3HB GLU 128 -2.118 27.779 20.948 965 HG2 GLU 128 2HG GLU 128 0.342 28.144 21.069 966 HG3 GLU 128 3HG GLU 128 0.559 26.555 20.337 967 H ASP 129 H ASP 129 -2.264 24.146 22.514 968 HA ASP 129 HA ASP 129 -5.007 24.687 22.783 969 HB2 ASP 129 2HB ASP 129 -3.527 22.449 22.290 970 HB3 ASP 129 3HB ASP 129 -4.070 22.143 23.938 971 H GLY 130 H GLY 130 -2.455 24.279 25.150 972 HA2 GLY 130 2HA GLY 130 -4.281 25.250 27.216 973 HA3 GLY 130 3HA GLY 130 -3.510 23.697 27.498 974 H ASP 131 H ASP 131 -2.140 24.131 29.130 975 HA ASP 131 HA ASP 131 -0.083 26.174 28.624 976 HB2 ASP 131 2HB ASP 131 -1.851 26.789 30.394 977 HB3 ASP 131 3HB ASP 131 -1.087 25.557 31.394 978 H GLY 132 H GLY 132 1.370 24.610 27.888 979 HA2 GLY 132 2HA GLY 132 3.244 23.304 28.296 980 HA3 GLY 132 3HA GLY 132 2.782 23.224 29.989 981 H GLU 133 H GLU 133 0.435 22.389 27.593 982 HA GLU 133 HA GLU 133 0.856 19.536 28.200 983 HB2 GLU 133 2HB GLU 133 -1.790 20.939 27.781 984 HB3 GLU 133 3HB GLU 133 -1.570 19.226 28.109 985 HG2 GLU 133 2HG GLU 133 -0.905 19.612 30.314 986 HG3 GLU 133 3HG GLU 133 -0.590 21.320 30.012 987 H VAL 134 H VAL 134 0.464 18.048 26.550 988 HA VAL 134 HA VAL 134 0.423 19.222 23.852 989 HB VAL 134 HB VAL 134 1.432 16.504 24.705 990 HG11 VAL 134 1HG1 VAL 134 1.443 17.933 22.054 991 HG12 VAL 134 2HG1 VAL 134 2.443 16.523 22.407 992 HG13 VAL 134 3HG1 VAL 134 0.685 16.391 22.448 993 HG21 VAL 134 1HG2 VAL 134 3.668 17.444 24.225 994 HG22 VAL 134 2HG2 VAL 134 2.927 19.029 23.999 995 HG23 VAL 134 3HG2 VAL 134 2.866 18.244 25.577 996 H SER 135 H SER 135 -1.561 19.175 23.015 997 HA SER 135 HA SER 135 -3.211 16.774 23.450 998 HB2 SER 135 2HB SER 135 -4.229 18.827 24.327 999 HB3 SER 135 3HB SER 135 -4.085 19.586 22.742 1000 HG SER 135 HG SER 135 -5.857 17.632 23.633 1001 H PHE 136 H PHE 136 -2.913 15.446 21.771 1002 HA PHE 136 HA PHE 136 -2.080 16.094 19.216 1003 HB2 PHE 136 2HB PHE 136 -3.134 13.766 20.555 1004 HB3 PHE 136 3HB PHE 136 -3.782 13.872 18.922 1005 HD1 PHE 136 HD1 PHE 136 -1.408 12.268 20.656 1006 HD2 PHE 136 HD2 PHE 136 -1.702 14.848 17.283 1007 HE1 PHE 136 HE1 PHE 136 0.692 11.343 19.770 1008 HE2 PHE 136 HE2 PHE 136 0.398 13.926 16.391 1009 HZ PHE 136 HZ PHE 136 1.597 12.170 17.634 1010 H GLU 137 H GLU 137 -5.271 16.248 20.611 1011 HA GLU 137 HA GLU 137 -6.868 16.290 18.348 1012 HB2 GLU 137 2HB GLU 137 -7.510 16.397 20.854 1013 HB3 GLU 137 3HB GLU 137 -7.372 18.139 20.662 1014 HG2 GLU 137 2HG GLU 137 -9.067 18.100 18.922 1015 HG3 GLU 137 3HG GLU 137 -9.188 16.348 19.065 1016 H GLU 138 H GLU 138 -4.940 18.866 19.782 1017 HA GLU 138 HA GLU 138 -5.926 20.980 18.195 1018 HB2 GLU 138 2HB GLU 138 -4.308 20.883 20.329 1019 HB3 GLU 138 3HB GLU 138 -3.089 21.041 19.072 1020 HG2 GLU 138 2HG GLU 138 -5.395 22.904 19.011 1021 HG3 GLU 138 3HG GLU 138 -4.166 23.140 20.252 1022 H PHE 139 H PHE 139 -3.108 18.854 17.811 1023 HA PHE 139 HA PHE 139 -2.094 20.010 15.473 1024 HB2 PHE 139 2HB PHE 139 -1.259 18.025 17.108 1025 HB3 PHE 139 3HB PHE 139 -1.831 17.074 15.742 1026 HD1 PHE 139 HD1 PHE 139 0.539 19.693 16.787 1027 HD2 PHE 139 HD2 PHE 139 -0.630 17.002 13.703 1028 HE1 PHE 139 HE1 PHE 139 2.647 20.142 15.600 1029 HE2 PHE 139 HE2 PHE 139 1.477 17.447 12.512 1030 HZ PHE 139 HZ PHE 139 3.119 19.018 13.461 1031 H LYS 140 H LYS 140 -4.338 17.287 15.893 1032 HA LYS 140 HA LYS 140 -4.685 16.666 13.191 1033 HB2 LYS 140 2HB LYS 140 -5.461 15.346 15.228 1034 HB3 LYS 140 3HB LYS 140 -6.844 16.432 15.284 1035 HG2 LYS 140 2HG LYS 140 -7.734 14.724 14.075 1036 HG3 LYS 140 3HG LYS 140 -7.085 15.710 12.763 1037 HD2 LYS 140 2HD LYS 140 -4.992 14.032 13.624 1038 HD3 LYS 140 3HD LYS 140 -6.432 13.019 13.498 1039 HE2 LYS 140 2HE LYS 140 -5.445 14.871 11.333 1040 HE3 LYS 140 3HE LYS 140 -5.104 13.143 11.401 1041 HZ1 LYS 140 1HZ LYS 140 -7.187 12.614 10.770 1042 HZ2 LYS 140 2HZ LYS 140 -7.161 14.160 10.084 1043 HZ3 LYS 140 3HZ LYS 140 -7.903 13.914 11.584 1044 H SER 141 H SER 141 -6.606 18.805 15.288 1045 HA SER 141 HA SER 141 -8.519 19.589 13.439 1046 HB2 SER 141 2HB SER 141 -8.940 20.267 15.638 1047 HB3 SER 141 3HB SER 141 -7.323 20.940 15.842 1048 HG SER 141 HG SER 141 -9.100 22.030 13.949 1049 H VAL 142 H VAL 142 -5.369 21.078 14.138 1050 HA VAL 142 HA VAL 142 -5.552 23.206 12.332 1051 HB VAL 142 HB VAL 142 -3.070 21.726 13.214 1052 HG11 VAL 142 1HG1 VAL 142 -3.511 24.153 11.579 1053 HG12 VAL 142 2HG1 VAL 142 -2.218 24.218 12.777 1054 HG13 VAL 142 3HG1 VAL 142 -2.203 22.972 11.528 1055 HG21 VAL 142 1HG2 VAL 142 -4.885 23.280 14.695 1056 HG22 VAL 142 2HG2 VAL 142 -3.298 22.699 15.199 1057 HG23 VAL 142 3HG2 VAL 142 -3.458 24.285 14.444 1058 H MET 143 H MET 143 -4.131 19.972 11.902 1059 HA MET 143 HA MET 143 -3.205 20.244 9.309 1060 HB2 MET 143 2HB MET 143 -2.941 18.271 10.922 1061 HB3 MET 143 3HB MET 143 -4.498 17.718 10.320 1062 HG2 MET 143 2HG MET 143 -3.070 16.550 8.976 1063 HG3 MET 143 3HG MET 143 -3.367 17.978 7.987 1064 HE1 MET 143 1HE MET 143 -0.676 15.856 9.881 1065 HE2 MET 143 2HE MET 143 -0.971 15.686 8.150 1066 HE3 MET 143 3HE MET 143 0.573 16.316 8.724 1067 H MET 144 H MET 144 -6.421 19.175 10.391 1068 HA MET 144 HA MET 144 -7.512 18.742 7.845 1069 HB2 MET 144 2HB MET 144 -8.474 18.041 10.086 1070 HB3 MET 144 3HB MET 144 -9.060 19.690 10.254 1071 HG2 MET 144 2HG MET 144 -10.576 19.464 8.512 1072 HG3 MET 144 3HG MET 144 -9.740 18.067 7.839 1073 HE1 MET 144 1HE MET 144 -12.526 18.451 11.329 1074 HE2 MET 144 2HE MET 144 -11.982 19.637 10.143 1075 HE3 MET 144 3HE MET 144 -13.282 18.515 9.737 1076 H GLN 145 H GLN 145 -7.452 21.635 9.887 1077 HA GLN 145 HA GLN 145 -9.091 23.275 8.342 1078 HB2 GLN 145 2HB GLN 145 -8.193 23.768 10.643 1079 HB3 GLN 145 3HB GLN 145 -6.662 24.189 9.887 1080 HG2 GLN 145 2HG GLN 145 -7.398 26.190 9.233 1081 HG3 GLN 145 3HG GLN 145 -8.960 25.555 8.719 1082 HE21 GLN 145 1HE2 GLN 145 -10.126 24.617 10.875 1083 HE22 GLN 145 2HE2 GLN 145 -10.307 25.827 12.095 1084 H MET 146 H MET 146 -5.564 22.842 8.200 1085 HA MET 146 HA MET 146 -5.109 24.661 6.102 1086 HB2 MET 146 2HB MET 146 -3.558 22.273 7.089 1087 HB3 MET 146 3HB MET 146 -2.984 23.288 5.773 1088 HG2 MET 146 2HG MET 146 -3.747 24.913 8.008 1089 HG3 MET 146 3HG MET 146 -2.616 23.662 8.520 1090 HE1 MET 146 1HE MET 146 -1.732 27.549 7.236 1091 HE2 MET 146 2HE MET 146 -2.708 26.715 8.445 1092 HE3 MET 146 3HE MET 146 -0.954 26.783 8.622 1093 H ARG 147 H ARG 147 -5.772 21.185 6.111 1094 HA ARG 147 HA ARG 147 -5.360 20.668 3.402 1095 HB2 ARG 147 2HB ARG 147 -7.262 19.401 5.376 1096 HB3 ARG 147 3HB ARG 147 -6.985 18.773 3.757 1097 HG2 ARG 147 2HG ARG 147 -4.692 19.209 5.624 1098 HG3 ARG 147 3HG ARG 147 -5.692 17.760 5.746 1099 HD2 ARG 147 2HD ARG 147 -5.246 17.701 3.129 1100 HD3 ARG 147 3HD ARG 147 -3.811 18.606 3.610 1101 HE ARG 147 HE ARG 147 -4.120 16.312 5.235 1102 HH11 ARG 147 1HH1 ARG 147 -3.189 17.289 2.026 1103 HH12 ARG 147 2HH1 ARG 147 -2.140 15.933 1.777 1104 HH21 ARG 147 1HH2 ARG 147 -2.742 14.522 4.919 1105 HH22 ARG 147 2HH2 ARG 147 -1.887 14.359 3.422 1106 H GLY 148 H GLY 148 -8.286 21.747 5.098 1107 HA2 GLY 148 2HA GLY 148 -9.974 21.714 2.823 1108 HA3 GLY 148 3HA GLY 148 -10.270 22.598 4.313 1109 H LYS 149 H LYS 149 -8.623 24.541 4.531 1110 HA LYS 149 HA LYS 149 -9.330 26.420 2.593 1111 HB2 LYS 149 2HB LYS 149 -7.727 27.906 3.671 1112 HB3 LYS 149 3HB LYS 149 -8.638 27.010 4.879 1113 HG2 LYS 149 2HG LYS 149 -6.788 26.154 5.746 1114 HG3 LYS 149 3HG LYS 149 -6.226 25.606 4.165 1115 HD2 LYS 149 2HD LYS 149 -4.564 27.091 4.670 1116 HD3 LYS 149 3HD LYS 149 -5.694 28.179 3.861 1117 HE2 LYS 149 2HE LYS 149 -6.485 28.097 6.551 1118 HE3 LYS 149 3HE LYS 149 -4.727 28.230 6.568 1119 HZ1 LYS 149 1HZ LYS 149 -4.790 30.298 5.732 1120 HZ2 LYS 149 2HZ LYS 149 -6.371 30.314 6.333 1121 HZ3 LYS 149 3HZ LYS 149 -6.091 29.977 4.699 Start of MODEL 19 1 H1 MET 1 H MET 1 0.978 -1.790 -1.019 2 HA MET 1 HA MET 1 2.467 -1.441 -2.749 3 HB2 MET 1 2HB MET 1 0.094 -1.599 -3.683 4 HB3 MET 1 3HB MET 1 0.169 0.147 -3.879 5 HG2 MET 1 2HG MET 1 1.178 -0.118 -5.822 6 HG3 MET 1 3HG MET 1 2.519 -0.928 -5.015 7 HE1 MET 1 1HE MET 1 -1.339 -2.872 -6.140 8 HE2 MET 1 2HE MET 1 -0.959 -1.150 -6.142 9 HE3 MET 1 3HE MET 1 -0.707 -2.111 -7.600 10 H ALA 2 H ALA 2 0.650 1.628 -2.692 11 HA ALA 2 HA ALA 2 3.204 3.054 -2.400 12 HB1 ALA 2 1HB ALA 2 2.806 3.245 -4.711 13 HB2 ALA 2 2HB ALA 2 1.084 3.546 -4.472 14 HB3 ALA 2 3HB ALA 2 2.265 4.774 -4.016 15 H ALA 3 H ALA 3 3.114 4.999 -1.284 16 HA ALA 3 HA ALA 3 0.594 5.471 0.162 17 HB1 ALA 3 1HB ALA 3 3.211 6.550 1.107 18 HB2 ALA 3 2HB ALA 3 1.785 6.081 2.034 19 HB3 ALA 3 3HB ALA 3 2.836 4.843 1.346 20 H LEU 4 H LEU 4 -0.029 7.655 0.614 21 HA LEU 4 HA LEU 4 0.005 9.359 -1.574 22 HB2 LEU 4 2HB LEU 4 -0.765 11.111 0.053 23 HB3 LEU 4 3HB LEU 4 -1.706 9.621 0.025 24 HG LEU 4 HG LEU 4 0.139 9.180 2.034 25 HD11 LEU 4 1HD1 LEU 4 -0.927 11.968 2.397 26 HD12 LEU 4 2HD1 LEU 4 0.708 11.626 1.832 27 HD13 LEU 4 3HD1 LEU 4 0.197 11.086 3.431 28 HD21 LEU 4 1HD2 LEU 4 -2.565 10.365 2.548 29 HD22 LEU 4 2HD2 LEU 4 -1.722 9.092 3.431 30 HD23 LEU 4 3HD2 LEU 4 -2.391 8.763 1.831 31 H THR 5 H THR 5 2.034 9.394 1.327 32 HA THR 5 HA THR 5 3.387 11.770 0.969 33 HB THR 5 HB THR 5 5.286 10.732 2.182 34 HG1 THR 5 HG1 THR 5 3.751 8.372 1.762 35 HG21 THR 5 1HG2 THR 5 2.740 11.239 3.109 36 HG22 THR 5 2HG2 THR 5 4.164 10.955 4.110 37 HG23 THR 5 3HG2 THR 5 3.075 9.623 3.727 38 H ASP 6 H ASP 6 4.110 8.602 -0.452 39 HA ASP 6 HA ASP 6 6.494 9.267 -1.739 40 HB2 ASP 6 2HB ASP 6 4.449 7.155 -2.009 41 HB3 ASP 6 3HB ASP 6 5.419 7.448 -3.449 42 H GLU 7 H GLU 7 3.149 9.465 -2.917 43 HA GLU 7 HA GLU 7 3.772 10.394 -5.499 44 HB2 GLU 7 2HB GLU 7 1.496 9.590 -4.300 45 HB3 GLU 7 3HB GLU 7 1.251 11.330 -4.255 46 HG2 GLU 7 2HG GLU 7 1.755 11.330 -6.733 47 HG3 GLU 7 3HG GLU 7 1.625 9.574 -6.658 48 H GLN 8 H GLN 8 3.329 12.046 -2.437 49 HA GLN 8 HA GLN 8 3.140 14.675 -3.434 50 HB2 GLN 8 2HB GLN 8 3.509 13.390 -0.839 51 HB3 GLN 8 3HB GLN 8 4.359 14.925 -0.965 52 HG2 GLN 8 2HG GLN 8 1.713 15.185 -2.031 53 HG3 GLN 8 3HG GLN 8 1.649 14.497 -0.409 54 HE21 GLN 8 1HE2 GLN 8 2.552 17.250 -2.327 55 HE22 GLN 8 2HE2 GLN 8 2.750 18.355 -1.014 56 H ILE 9 H ILE 9 5.941 12.962 -2.038 57 HA ILE 9 HA ILE 9 7.823 14.967 -2.598 58 HB ILE 9 HB ILE 9 9.530 13.170 -2.355 59 HG12 ILE 9 2HG1 ILE 9 7.100 11.395 -2.035 60 HG13 ILE 9 3HG1 ILE 9 8.251 11.335 -3.365 61 HG21 ILE 9 1HG2 ILE 9 9.253 12.962 -0.052 62 HG22 ILE 9 2HG2 ILE 9 8.333 14.412 -0.449 63 HG23 ILE 9 3HG2 ILE 9 7.496 12.884 -0.174 64 HD11 ILE 9 1HD1 ILE 9 10.019 10.809 -1.658 65 HD12 ILE 9 2HD1 ILE 9 8.712 10.610 -0.491 66 HD13 ILE 9 3HD1 ILE 9 8.795 9.565 -1.909 67 H ARG 10 H ARG 10 6.580 12.321 -4.531 68 HA ARG 10 HA ARG 10 8.527 12.373 -6.570 69 HB2 ARG 10 2HB ARG 10 7.068 10.478 -6.386 70 HB3 ARG 10 3HB ARG 10 5.642 11.489 -6.577 71 HG2 ARG 10 2HG ARG 10 6.123 10.235 -8.605 72 HG3 ARG 10 3HG ARG 10 6.274 11.972 -8.877 73 HD2 ARG 10 2HD ARG 10 8.601 11.876 -8.969 74 HD3 ARG 10 3HD ARG 10 8.662 10.312 -8.159 75 HE ARG 10 HE ARG 10 8.278 10.799 -10.971 76 HH11 ARG 10 1HH1 ARG 10 7.834 8.549 -8.352 77 HH12 ARG 10 2HH1 ARG 10 7.769 7.159 -9.384 78 HH21 ARG 10 1HH2 ARG 10 8.195 8.977 -12.340 79 HH22 ARG 10 2HH2 ARG 10 7.976 7.404 -11.653 80 H GLU 11 H GLU 11 5.330 13.921 -6.345 81 HA GLU 11 HA GLU 11 5.475 15.245 -8.832 82 HB2 GLU 11 2HB GLU 11 3.603 14.997 -6.748 83 HB3 GLU 11 3HB GLU 11 3.907 16.720 -6.913 84 HG2 GLU 11 2HG GLU 11 3.590 16.158 -9.478 85 HG3 GLU 11 3HG GLU 11 2.655 14.821 -8.812 86 H ALA 12 H ALA 12 6.449 16.172 -5.575 87 HA ALA 12 HA ALA 12 6.992 18.881 -6.070 88 HB1 ALA 12 1HB ALA 12 7.344 17.036 -3.926 89 HB2 ALA 12 2HB ALA 12 8.840 17.944 -4.149 90 HB3 ALA 12 3HB ALA 12 7.321 18.799 -3.879 91 H PHE 13 H PHE 13 9.235 16.106 -6.001 92 HA PHE 13 HA PHE 13 11.511 17.511 -6.818 93 HB2 PHE 13 2HB PHE 13 11.716 15.308 -5.856 94 HB3 PHE 13 3HB PHE 13 10.778 14.600 -7.167 95 HD1 PHE 13 HD1 PHE 13 12.071 13.275 -8.510 96 HD2 PHE 13 HD2 PHE 13 13.714 16.902 -7.006 97 HE1 PHE 13 HE1 PHE 13 14.145 12.853 -9.766 98 HE2 PHE 13 HE2 PHE 13 15.789 16.486 -8.260 99 HZ PHE 13 HZ PHE 13 16.007 14.460 -9.642 100 H ASN 14 H ASN 14 8.907 16.051 -8.657 101 HA ASN 14 HA ASN 14 10.134 16.164 -11.199 102 HB2 ASN 14 2HB ASN 14 8.084 14.829 -10.604 103 HB3 ASN 14 3HB ASN 14 7.173 16.336 -10.617 104 HD21 ASN 14 1HD2 ASN 14 6.993 17.490 -12.600 105 HD22 ASN 14 2HD2 ASN 14 7.125 16.659 -14.109 106 H LEU 15 H LEU 15 7.966 18.405 -9.503 107 HA LEU 15 HA LEU 15 7.778 20.307 -11.568 108 HB2 LEU 15 2HB LEU 15 6.711 19.982 -9.040 109 HB3 LEU 15 3HB LEU 15 7.686 21.442 -8.893 110 HG LEU 15 HG LEU 15 5.416 22.047 -9.404 111 HD11 LEU 15 1HD1 LEU 15 7.429 23.194 -10.525 112 HD12 LEU 15 2HD1 LEU 15 5.814 23.527 -11.150 113 HD13 LEU 15 3HD1 LEU 15 6.871 22.398 -11.997 114 HD21 LEU 15 1HD2 LEU 15 5.383 20.844 -12.087 115 HD22 LEU 15 2HD2 LEU 15 4.087 21.026 -10.904 116 HD23 LEU 15 3HD2 LEU 15 5.245 19.704 -10.748 117 H PHE 16 H PHE 16 9.855 20.238 -8.674 118 HA PHE 16 HA PHE 16 11.262 22.588 -9.156 119 HB2 PHE 16 2HB PHE 16 12.174 20.044 -7.799 120 HB3 PHE 16 3HB PHE 16 13.055 21.568 -7.741 121 HD1 PHE 16 HD1 PHE 16 11.351 19.633 -5.692 122 HD2 PHE 16 HD2 PHE 16 10.994 23.546 -7.328 123 HE1 PHE 16 HE1 PHE 16 10.018 20.322 -3.742 124 HE2 PHE 16 HE2 PHE 16 9.661 24.242 -5.381 125 HZ PHE 16 HZ PHE 16 9.172 22.630 -3.584 126 H ASP 17 H ASP 17 11.948 19.285 -10.237 127 HA ASP 17 HA ASP 17 14.374 19.940 -11.564 128 HB2 ASP 17 2HB ASP 17 13.412 17.620 -10.789 129 HB3 ASP 17 3HB ASP 17 12.691 17.608 -12.396 130 H ALA 18 H ALA 18 11.027 20.116 -12.436 131 HA ALA 18 HA ALA 18 11.110 20.014 -15.198 132 HB1 ALA 18 1HB ALA 18 9.032 21.075 -15.204 133 HB2 ALA 18 2HB ALA 18 9.097 20.279 -13.631 134 HB3 ALA 18 3HB ALA 18 9.401 22.011 -13.755 135 H ASP 19 H ASP 19 12.203 22.524 -13.046 136 HA ASP 19 HA ASP 19 12.269 24.729 -14.716 137 HB2 ASP 19 2HB ASP 19 13.245 24.104 -12.188 138 HB3 ASP 19 3HB ASP 19 14.688 24.518 -13.109 139 H GLY 20 H GLY 20 14.334 21.911 -14.674 140 HA2 GLY 20 2HA GLY 20 15.674 21.142 -16.418 141 HA3 GLY 20 3HA GLY 20 15.430 22.673 -17.246 142 H SER 21 H SER 21 16.504 22.534 -13.931 143 HA SER 21 HA SER 21 19.134 23.526 -14.811 144 HB2 SER 21 2HB SER 21 17.380 24.230 -12.488 145 HB3 SER 21 3HB SER 21 19.128 24.410 -12.329 146 HG SER 21 HG SER 21 17.559 25.551 -14.403 147 H GLY 22 H GLY 22 20.991 22.934 -13.525 148 HA2 GLY 22 2HA GLY 22 21.032 20.158 -12.905 149 HA3 GLY 22 3HA GLY 22 22.351 21.293 -12.658 150 H ALA 23 H ALA 23 20.453 22.991 -11.011 151 HA ALA 23 HA ALA 23 19.889 21.366 -8.695 152 HB1 ALA 23 1HB ALA 23 22.087 21.562 -8.060 153 HB2 ALA 23 2HB ALA 23 22.277 23.148 -8.809 154 HB3 ALA 23 3HB ALA 23 21.391 22.989 -7.292 155 H ILE 24 H ILE 24 18.807 22.560 -7.001 156 HA ILE 24 HA ILE 24 17.608 25.065 -7.989 157 HB ILE 24 HB ILE 24 16.320 23.111 -6.086 158 HG12 ILE 24 2HG1 ILE 24 14.860 23.018 -8.410 159 HG13 ILE 24 3HG1 ILE 24 16.509 23.120 -9.017 160 HG21 ILE 24 1HG2 ILE 24 15.667 25.586 -6.123 161 HG22 ILE 24 2HG2 ILE 24 14.971 25.244 -7.706 162 HG23 ILE 24 3HG2 ILE 24 14.376 24.396 -6.279 163 HD11 ILE 24 1HD1 ILE 24 16.911 21.002 -8.502 164 HD12 ILE 24 2HD1 ILE 24 16.275 21.201 -6.869 165 HD13 ILE 24 3HD1 ILE 24 15.180 20.841 -8.204 166 H ASP 25 H ASP 25 17.920 26.830 -6.806 167 HA ASP 25 HA ASP 25 19.154 26.554 -4.171 168 HB2 ASP 25 2HB ASP 25 18.856 28.911 -6.039 169 HB3 ASP 25 3HB ASP 25 19.542 29.036 -4.421 170 H ALA 26 H ALA 26 18.500 28.501 -2.657 171 HA ALA 26 HA ALA 26 15.871 28.013 -1.799 172 HB1 ALA 26 1HB ALA 26 17.883 30.126 -1.092 173 HB2 ALA 26 2HB ALA 26 16.282 30.073 -0.352 174 HB3 ALA 26 3HB ALA 26 17.389 28.714 -0.157 175 H GLU 27 H GLU 27 17.273 30.766 -3.552 176 HA GLU 27 HA GLU 27 14.976 32.357 -3.653 177 HB2 GLU 27 2HB GLU 27 16.048 33.444 -5.606 178 HB3 GLU 27 3HB GLU 27 17.138 33.260 -4.239 179 HG2 GLU 27 2HG GLU 27 17.710 31.003 -5.550 180 HG3 GLU 27 3HG GLU 27 17.213 32.009 -6.909 181 H GLU 28 H GLU 28 16.118 29.812 -5.829 182 HA GLU 28 HA GLU 28 14.146 30.137 -7.812 183 HB2 GLU 28 2HB GLU 28 16.313 28.787 -7.937 184 HB3 GLU 28 3HB GLU 28 15.441 27.512 -7.098 185 HG2 GLU 28 2HG GLU 28 15.279 26.945 -9.348 186 HG3 GLU 28 3HG GLU 28 13.723 27.683 -8.970 187 H MET 29 H MET 29 14.297 27.991 -4.984 188 HA MET 29 HA MET 29 11.886 26.644 -5.403 189 HB2 MET 29 2HB MET 29 13.792 26.971 -3.234 190 HB3 MET 29 3HB MET 29 12.142 26.853 -2.638 191 HG2 MET 29 2HG MET 29 11.876 24.772 -3.968 192 HG3 MET 29 3HG MET 29 13.586 24.873 -4.380 193 HE1 MET 29 1HE MET 29 15.468 24.254 -1.212 194 HE2 MET 29 2HE MET 29 15.367 23.333 -2.712 195 HE3 MET 29 3HE MET 29 15.390 25.096 -2.760 196 H ALA 30 H ALA 30 12.565 29.670 -3.697 197 HA ALA 30 HA ALA 30 9.958 30.087 -2.702 198 HB1 ALA 30 1HB ALA 30 11.380 32.545 -3.292 199 HB2 ALA 30 2HB ALA 30 10.877 31.873 -1.740 200 HB3 ALA 30 3HB ALA 30 12.400 31.363 -2.470 201 H LEU 31 H LEU 31 11.572 31.197 -5.661 202 HA LEU 31 HA LEU 31 9.523 32.823 -6.639 203 HB2 LEU 31 2HB LEU 31 12.017 32.123 -7.476 204 HB3 LEU 31 3HB LEU 31 11.005 31.298 -8.661 205 HG LEU 31 HG LEU 31 11.632 33.407 -9.573 206 HD11 LEU 31 1HD1 LEU 31 9.268 32.636 -9.857 207 HD12 LEU 31 2HD1 LEU 31 9.509 34.372 -10.046 208 HD13 LEU 31 3HD1 LEU 31 8.818 33.735 -8.553 209 HD21 LEU 31 1HD2 LEU 31 11.247 34.312 -6.838 210 HD22 LEU 31 2HD2 LEU 31 10.498 35.384 -8.021 211 HD23 LEU 31 3HD2 LEU 31 12.218 35.008 -8.136 212 H ALA 32 H ALA 32 10.203 29.396 -7.326 213 HA ALA 32 HA ALA 32 8.034 28.945 -9.035 214 HB1 ALA 32 1HB ALA 32 8.807 26.848 -9.117 215 HB2 ALA 32 2HB ALA 32 10.132 27.449 -8.119 216 HB3 ALA 32 3HB ALA 32 8.748 26.658 -7.364 217 H MET 33 H MET 33 8.322 28.287 -5.541 218 HA MET 33 HA MET 33 5.789 27.294 -5.080 219 HB2 MET 33 2HB MET 33 7.683 28.874 -3.368 220 HB3 MET 33 3HB MET 33 6.105 28.401 -2.753 221 HG2 MET 33 2HG MET 33 6.683 26.039 -3.274 222 HG3 MET 33 3HG MET 33 8.305 26.583 -3.697 223 HE1 MET 33 1HE MET 33 10.068 26.855 -2.371 224 HE2 MET 33 2HE MET 33 9.686 28.281 -1.407 225 HE3 MET 33 3HE MET 33 10.186 26.787 -0.613 226 H LYS 34 H LYS 34 6.847 30.659 -5.260 227 HA LYS 34 HA LYS 34 4.394 31.818 -4.465 228 HB2 LYS 34 2HB LYS 34 6.633 32.969 -4.532 229 HB3 LYS 34 3HB LYS 34 6.469 33.049 -6.282 230 HG2 LYS 34 2HG LYS 34 4.089 34.100 -5.282 231 HG3 LYS 34 3HG LYS 34 5.363 34.764 -4.255 232 HD2 LYS 34 2HD LYS 34 5.662 34.766 -7.235 233 HD3 LYS 34 3HD LYS 34 4.702 36.012 -6.434 234 HE2 LYS 34 2HE LYS 34 7.538 35.359 -5.662 235 HE3 LYS 34 3HE LYS 34 7.123 36.586 -6.859 236 HZ1 LYS 34 1HZ LYS 34 6.455 38.010 -5.284 237 HZ2 LYS 34 2HZ LYS 34 7.380 37.059 -4.235 238 HZ3 LYS 34 3HZ LYS 34 5.709 36.814 -4.347 239 H GLY 35 H GLY 35 5.788 31.176 -7.675 240 HA2 GLY 35 2HA GLY 35 3.725 32.254 -9.216 241 HA3 GLY 35 3HA GLY 35 4.800 30.965 -9.735 242 H LEU 36 H LEU 36 4.027 29.057 -7.755 243 HA LEU 36 HA LEU 36 1.636 28.072 -9.024 244 HB2 LEU 36 2HB LEU 36 3.176 26.900 -6.714 245 HB3 LEU 36 3HB LEU 36 1.988 26.071 -7.719 246 HG LEU 36 HG LEU 36 4.408 27.193 -9.040 247 HD11 LEU 36 1HD1 LEU 36 4.912 25.820 -6.828 248 HD12 LEU 36 2HD1 LEU 36 5.879 25.631 -8.291 249 HD13 LEU 36 3HD1 LEU 36 4.618 24.459 -7.911 250 HD21 LEU 36 1HD2 LEU 36 2.736 24.711 -9.413 251 HD22 LEU 36 2HD2 LEU 36 4.123 25.159 -10.406 252 HD23 LEU 36 3HD2 LEU 36 2.682 26.177 -10.393 253 H GLY 37 H GLY 37 2.460 29.694 -6.075 254 HA2 GLY 37 2HA GLY 37 1.128 30.582 -4.426 255 HA3 GLY 37 3HA GLY 37 -0.254 30.232 -5.454 256 H PHE 38 H PHE 38 1.858 27.638 -4.596 257 HA PHE 38 HA PHE 38 -0.022 26.754 -2.515 258 HB2 PHE 38 2HB PHE 38 0.566 25.484 -5.077 259 HB3 PHE 38 3HB PHE 38 0.826 24.405 -3.711 260 HD1 PHE 38 HD1 PHE 38 -1.622 26.200 -5.700 261 HD2 PHE 38 HD2 PHE 38 -1.030 23.818 -2.222 262 HE1 PHE 38 HE1 PHE 38 -4.044 25.780 -5.579 263 HE2 PHE 38 HE2 PHE 38 -3.450 23.394 -2.096 264 HZ PHE 38 HZ PHE 38 -4.960 24.374 -3.776 265 H GLY 39 H GLY 39 0.855 25.599 -0.817 266 HA2 GLY 39 2HA GLY 39 2.477 24.915 0.656 267 HA3 GLY 39 3HA GLY 39 3.414 24.451 -0.756 268 H ASP 40 H ASP 40 2.326 27.689 0.163 269 HA ASP 40 HA ASP 40 4.988 28.723 -0.191 270 HB2 ASP 40 2HB ASP 40 2.615 29.838 -0.628 271 HB3 ASP 40 3HB ASP 40 2.828 30.372 1.037 272 H LEU 41 H LEU 41 6.474 28.418 1.331 273 HA LEU 41 HA LEU 41 5.657 28.521 4.153 274 HB2 LEU 41 2HB LEU 41 7.875 27.154 2.697 275 HB3 LEU 41 3HB LEU 41 8.074 27.554 4.402 276 HG LEU 41 HG LEU 41 7.358 25.234 4.071 277 HD11 LEU 41 1HD1 LEU 41 6.733 26.408 6.116 278 HD12 LEU 41 2HD1 LEU 41 5.491 25.251 5.639 279 HD13 LEU 41 3HD1 LEU 41 5.250 26.973 5.345 280 HD21 LEU 41 1HD2 LEU 41 5.106 24.752 3.247 281 HD22 LEU 41 2HD2 LEU 41 6.095 25.523 2.007 282 HD23 LEU 41 3HD2 LEU 41 4.876 26.460 2.872 283 HA PRO 42 HA PRO 42 7.870 32.230 4.926 284 HB2 PRO 42 2HB PRO 42 8.933 31.763 7.380 285 HB3 PRO 42 3HB PRO 42 7.208 32.051 7.119 286 HG2 PRO 42 2HG PRO 42 8.662 29.459 7.483 287 HG3 PRO 42 3HG PRO 42 7.118 29.983 8.180 288 HD2 PRO 42 2HD PRO 42 7.265 28.332 6.039 289 HD3 PRO 42 3HD PRO 42 5.942 29.495 6.258 290 H ARG 43 H ARG 43 10.002 33.167 5.320 291 HA ARG 43 HA ARG 43 12.028 31.902 3.837 292 HB2 ARG 43 2HB ARG 43 13.481 33.745 4.654 293 HB3 ARG 43 3HB ARG 43 11.950 34.307 3.995 294 HG2 ARG 43 2HG ARG 43 11.838 35.536 5.855 295 HG3 ARG 43 3HG ARG 43 11.337 34.032 6.630 296 HD2 ARG 43 2HD ARG 43 13.737 33.573 7.128 297 HD3 ARG 43 3HD ARG 43 14.123 35.174 6.500 298 HE ARG 43 HE ARG 43 12.187 35.554 8.428 299 HH11 ARG 43 1HH1 ARG 43 15.410 34.246 8.278 300 HH12 ARG 43 2HH1 ARG 43 15.802 34.679 9.909 301 HH21 ARG 43 1HH2 ARG 43 12.691 36.129 10.577 302 HH22 ARG 43 2HH2 ARG 43 14.254 35.749 11.216 303 H ASP 44 H ASP 44 11.465 32.171 7.308 304 HA ASP 44 HA ASP 44 13.897 31.177 8.237 305 HB2 ASP 44 2HB ASP 44 12.473 30.380 10.226 306 HB3 ASP 44 3HB ASP 44 12.475 32.103 9.862 307 H GLU 45 H GLU 45 10.973 29.469 7.215 308 HA GLU 45 HA GLU 45 11.858 26.879 7.934 309 HB2 GLU 45 2HB GLU 45 9.482 27.554 7.452 310 HB3 GLU 45 3HB GLU 45 9.899 27.580 5.745 311 HG2 GLU 45 2HG GLU 45 10.564 25.105 7.196 312 HG3 GLU 45 3HG GLU 45 8.847 25.454 6.996 313 H VAL 46 H VAL 46 12.291 28.862 5.081 314 HA VAL 46 HA VAL 46 13.259 26.811 3.373 315 HB VAL 46 HB VAL 46 13.765 29.787 3.245 316 HG11 VAL 46 1HG1 VAL 46 14.541 27.525 1.519 317 HG12 VAL 46 2HG1 VAL 46 13.890 28.943 0.694 318 HG13 VAL 46 3HG1 VAL 46 15.302 29.100 1.739 319 HG21 VAL 46 1HG2 VAL 46 11.402 28.255 2.810 320 HG22 VAL 46 2HG2 VAL 46 11.643 29.992 2.622 321 HG23 VAL 46 3HG2 VAL 46 11.949 28.907 1.265 322 H GLU 47 H GLU 47 14.931 29.332 5.257 323 HA GLU 47 HA GLU 47 17.541 28.510 4.612 324 HB2 GLU 47 2HB GLU 47 18.217 29.820 6.617 325 HB3 GLU 47 3HB GLU 47 17.155 30.703 5.529 326 HG2 GLU 47 2HG GLU 47 15.252 30.171 7.001 327 HG3 GLU 47 3HG GLU 47 16.366 29.375 8.112 328 H ARG 48 H ARG 48 15.378 27.619 7.259 329 HA ARG 48 HA ARG 48 17.233 26.090 8.730 330 HB2 ARG 48 2HB ARG 48 15.032 26.911 9.582 331 HB3 ARG 48 3HB ARG 48 14.241 25.696 8.587 332 HG2 ARG 48 2HG ARG 48 14.819 23.991 9.960 333 HG3 ARG 48 3HG ARG 48 16.342 24.745 10.436 334 HD2 ARG 48 2HD ARG 48 13.633 25.715 11.329 335 HD3 ARG 48 3HD ARG 48 14.626 24.590 12.255 336 HE ARG 48 HE ARG 48 16.256 26.735 11.767 337 HH11 ARG 48 1HH1 ARG 48 13.154 26.262 13.274 338 HH12 ARG 48 2HH1 ARG 48 13.343 27.583 14.379 339 HH21 ARG 48 1HH2 ARG 48 16.517 28.477 13.216 340 HH22 ARG 48 2HH2 ARG 48 15.256 28.843 14.344 341 H THR 49 H THR 49 14.804 25.135 6.314 342 HA THR 49 HA THR 49 15.294 22.386 6.354 343 HB THR 49 HB THR 49 14.397 22.415 3.985 344 HG1 THR 49 HG1 THR 49 14.781 24.361 3.141 345 HG21 THR 49 1HG2 THR 49 13.002 23.501 6.379 346 HG22 THR 49 2HG2 THR 49 12.708 22.013 5.479 347 HG23 THR 49 3HG2 THR 49 12.161 23.559 4.831 348 H VAL 50 H VAL 50 16.748 24.935 4.357 349 HA VAL 50 HA VAL 50 18.372 23.255 2.790 350 HB VAL 50 HB VAL 50 18.846 26.136 3.569 351 HG11 VAL 50 1HG1 VAL 50 20.893 25.226 2.757 352 HG12 VAL 50 2HG1 VAL 50 20.071 24.413 1.423 353 HG13 VAL 50 3HG1 VAL 50 20.184 26.173 1.450 354 HG21 VAL 50 1HG2 VAL 50 17.916 25.569 0.868 355 HG22 VAL 50 2HG2 VAL 50 16.759 25.090 2.111 356 HG23 VAL 50 3HG2 VAL 50 17.338 26.755 2.039 357 H ARG 51 H ARG 51 18.946 24.885 5.874 358 HA ARG 51 HA ARG 51 21.681 24.282 6.108 359 HB2 ARG 51 2HB ARG 51 20.364 25.931 7.497 360 HB3 ARG 51 3HB ARG 51 19.731 24.557 8.394 361 HG2 ARG 51 2HG ARG 51 22.673 24.766 8.137 362 HG3 ARG 51 3HG ARG 51 21.860 25.929 9.186 363 HD2 ARG 51 2HD ARG 51 20.657 23.722 10.046 364 HD3 ARG 51 3HD ARG 51 22.149 22.988 9.462 365 HE ARG 51 HE ARG 51 23.262 23.931 11.226 366 HH11 ARG 51 1HH1 ARG 51 20.165 25.481 10.869 367 HH12 ARG 51 2HH1 ARG 51 20.300 26.383 12.342 368 HH21 ARG 51 1HH2 ARG 51 23.452 25.113 13.167 369 HH22 ARG 51 2HH2 ARG 51 22.171 26.173 13.648 370 H SER 52 H SER 52 18.791 22.528 7.157 371 HA SER 52 HA SER 52 20.156 20.459 8.515 372 HB2 SER 52 2HB SER 52 17.426 20.354 7.210 373 HB3 SER 52 3HB SER 52 18.031 19.262 8.456 374 HG SER 52 HG SER 52 16.667 21.309 8.961 375 H MET 53 H MET 53 18.788 20.633 5.236 376 HA MET 53 HA MET 53 19.542 18.052 4.428 377 HB2 MET 53 2HB MET 53 19.151 20.542 2.757 378 HB3 MET 53 3HB MET 53 19.243 18.904 2.124 379 HG2 MET 53 2HG MET 53 17.167 18.340 2.886 380 HG3 MET 53 3HG MET 53 17.218 19.500 4.211 381 HE1 MET 53 1HE MET 53 14.656 19.239 3.010 382 HE2 MET 53 2HE MET 53 14.167 20.318 1.703 383 HE3 MET 53 3HE MET 53 15.035 18.826 1.337 384 H ASN 54 H ASN 54 21.033 21.094 3.309 385 HA ASN 54 HA ASN 54 23.475 19.686 2.662 386 HB2 ASN 54 2HB ASN 54 22.372 21.624 1.332 387 HB3 ASN 54 3HB ASN 54 23.137 22.669 2.526 388 HD21 ASN 54 1HD2 ASN 54 24.172 23.462 0.515 389 HD22 ASN 54 2HD2 ASN 54 25.630 22.688 0.004 390 H THR 55 H THR 55 24.624 19.115 4.425 391 HA THR 55 HA THR 55 24.783 20.431 6.858 392 HB THR 55 HB THR 55 25.605 18.166 6.620 393 HG1 THR 55 HG1 THR 55 26.704 19.927 8.054 394 HG21 THR 55 1HG2 THR 55 27.585 17.590 5.404 395 HG22 THR 55 2HG2 THR 55 27.925 19.284 5.049 396 HG23 THR 55 3HG2 THR 55 26.534 18.490 4.312 397 H ASN 56 H ASN 56 26.610 20.955 3.903 398 HA ASN 56 HA ASN 56 28.021 23.181 5.218 399 HB2 ASN 56 2HB ASN 56 28.831 21.712 2.700 400 HB3 ASN 56 3HB ASN 56 29.761 22.950 3.538 401 HD21 ASN 56 1HD2 ASN 56 30.419 20.168 2.888 402 HD22 ASN 56 2HD2 ASN 56 30.819 19.418 4.392 403 H ALA 57 H ALA 57 26.804 24.947 4.862 404 HA ALA 57 HA ALA 57 25.179 25.402 2.615 405 HB1 ALA 57 1HB ALA 57 24.949 27.659 3.425 406 HB2 ALA 57 2HB ALA 57 24.922 26.546 4.794 407 HB3 ALA 57 3HB ALA 57 26.378 27.477 4.444 408 H ASN 58 H ASN 58 26.126 25.260 0.643 409 HA ASN 58 HA ASN 58 28.379 27.084 0.107 410 HB2 ASN 58 2HB ASN 58 28.491 24.399 -0.153 411 HB3 ASN 58 3HB ASN 58 27.895 24.828 -1.754 412 HD21 ASN 58 1HD2 ASN 58 29.309 25.479 -3.226 413 HD22 ASN 58 2HD2 ASN 58 30.958 25.892 -2.918 414 H GLY 59 H GLY 59 25.254 27.139 -0.140 415 HA2 GLY 59 2HA GLY 59 23.858 28.427 -1.456 416 HA3 GLY 59 3HA GLY 59 25.242 28.816 -2.468 417 H LEU 60 H LEU 60 24.614 25.485 -1.899 418 HA LEU 60 HA LEU 60 23.109 25.223 -4.395 419 HB2 LEU 60 2HB LEU 60 25.787 24.900 -4.434 420 HB3 LEU 60 3HB LEU 60 25.281 23.264 -4.020 421 HG LEU 60 HG LEU 60 23.659 23.916 -6.159 422 HD11 LEU 60 1HD1 LEU 60 25.219 25.926 -6.412 423 HD12 LEU 60 2HD1 LEU 60 24.937 24.923 -7.835 424 HD13 LEU 60 3HD1 LEU 60 26.436 24.756 -6.921 425 HD21 LEU 60 1HD2 LEU 60 25.553 22.501 -7.370 426 HD22 LEU 60 2HD2 LEU 60 24.446 21.783 -6.200 427 HD23 LEU 60 3HD2 LEU 60 26.072 22.253 -5.702 428 H ILE 61 H ILE 61 21.757 23.463 -4.482 429 HA ILE 61 HA ILE 61 21.671 21.781 -2.062 430 HB ILE 61 HB ILE 61 19.328 22.636 -3.766 431 HG12 ILE 61 2HG1 ILE 61 20.015 23.471 -0.943 432 HG13 ILE 61 3HG1 ILE 61 20.361 24.449 -2.365 433 HG21 ILE 61 1HG2 ILE 61 18.526 20.700 -2.912 434 HG22 ILE 61 2HG2 ILE 61 19.667 20.693 -1.568 435 HG23 ILE 61 3HG2 ILE 61 18.233 21.717 -1.501 436 HD11 ILE 61 1HD1 ILE 61 18.383 25.380 -1.899 437 HD12 ILE 61 2HD1 ILE 61 17.724 23.958 -2.707 438 HD13 ILE 61 3HD1 ILE 61 17.839 23.998 -0.948 439 H GLU 62 H GLU 62 21.707 19.632 -2.326 440 HA GLU 62 HA GLU 62 21.896 18.594 -5.041 441 HB2 GLU 62 2HB GLU 62 22.361 17.206 -2.395 442 HB3 GLU 62 3HB GLU 62 22.713 16.540 -3.983 443 HG2 GLU 62 2HG GLU 62 24.360 18.311 -4.356 444 HG3 GLU 62 3HG GLU 62 24.017 18.958 -2.752 445 H TYR 63 H TYR 63 20.531 17.098 -5.926 446 HA TYR 63 HA TYR 63 17.852 17.065 -5.036 447 HB2 TYR 63 2HB TYR 63 17.466 15.469 -6.852 448 HB3 TYR 63 3HB TYR 63 18.470 16.807 -7.400 449 HD1 TYR 63 HD1 TYR 63 20.827 16.460 -7.928 450 HD2 TYR 63 HD2 TYR 63 18.359 13.226 -6.682 451 HE1 TYR 63 HE1 TYR 63 22.522 14.867 -8.725 452 HE2 TYR 63 HE2 TYR 63 20.048 11.624 -7.475 453 HH TYR 63 HH TYR 63 22.194 12.080 -9.527 454 H GLY 64 H GLY 64 20.508 14.766 -4.725 455 HA2 GLY 64 2HA GLY 64 19.026 12.588 -3.732 456 HA3 GLY 64 3HA GLY 64 20.741 12.864 -3.461 457 H GLU 65 H GLU 65 20.867 15.072 -1.955 458 HA GLU 65 HA GLU 65 20.104 14.141 0.605 459 HB2 GLU 65 2HB GLU 65 21.178 16.792 -0.354 460 HB3 GLU 65 3HB GLU 65 20.853 16.456 1.341 461 HG2 GLU 65 2HG GLU 65 22.700 14.801 -0.358 462 HG3 GLU 65 3HG GLU 65 23.229 16.163 0.628 463 H PHE 66 H PHE 66 18.642 16.337 -1.678 464 HA PHE 66 HA PHE 66 16.839 17.616 0.073 465 HB2 PHE 66 2HB PHE 66 17.304 18.516 -2.140 466 HB3 PHE 66 3HB PHE 66 16.624 17.078 -2.896 467 HD1 PHE 66 HD1 PHE 66 14.281 16.819 -3.173 468 HD2 PHE 66 HD2 PHE 66 15.835 20.114 -0.972 469 HE1 PHE 66 HE1 PHE 66 12.065 17.889 -3.215 470 HE2 PHE 66 HE2 PHE 66 13.622 21.188 -1.010 471 HZ PHE 66 HZ PHE 66 11.733 20.075 -2.132 472 H GLU 67 H GLU 67 16.245 14.962 -2.239 473 HA GLU 67 HA GLU 67 13.642 14.398 -1.335 474 HB2 GLU 67 2HB GLU 67 13.847 12.311 -2.588 475 HB3 GLU 67 3HB GLU 67 14.479 13.662 -3.518 476 HG2 GLU 67 2HG GLU 67 16.769 12.993 -2.699 477 HG3 GLU 67 3HG GLU 67 16.021 11.515 -2.095 478 H ARG 68 H ARG 68 16.796 13.147 -0.384 479 HA ARG 68 HA ARG 68 15.947 11.009 1.206 480 HB2 ARG 68 2HB ARG 68 18.283 11.334 0.545 481 HB3 ARG 68 3HB ARG 68 18.375 12.777 1.547 482 HG2 ARG 68 2HG ARG 68 18.241 11.532 3.537 483 HG3 ARG 68 3HG ARG 68 17.716 10.079 2.683 484 HD2 ARG 68 2HD ARG 68 20.079 10.545 1.460 485 HD3 ARG 68 3HD ARG 68 20.419 11.187 3.067 486 HE ARG 68 HE ARG 68 20.037 8.426 2.343 487 HH11 ARG 68 1HH1 ARG 68 19.954 10.764 4.922 488 HH12 ARG 68 2HH1 ARG 68 20.194 9.588 6.171 489 HH21 ARG 68 1HH2 ARG 68 20.352 6.868 3.979 490 HH22 ARG 68 2HH2 ARG 68 20.421 7.372 5.634 491 H MET 69 H MET 69 16.596 14.393 2.082 492 HA MET 69 HA MET 69 15.987 14.111 4.823 493 HB2 MET 69 2HB MET 69 17.258 16.009 4.104 494 HB3 MET 69 3HB MET 69 15.987 16.515 2.998 495 HG2 MET 69 2HG MET 69 15.986 17.939 4.927 496 HG3 MET 69 3HG MET 69 14.522 16.959 4.922 497 HE1 MET 69 1HE MET 69 18.277 15.825 7.054 498 HE2 MET 69 2HE MET 69 18.075 17.078 5.830 499 HE3 MET 69 3HE MET 69 17.904 17.480 7.539 500 H VAL 70 H VAL 70 14.035 15.258 2.080 501 HA VAL 70 HA VAL 70 11.709 15.916 3.423 502 HB VAL 70 HB VAL 70 11.928 14.646 0.690 503 HG11 VAL 70 1HG1 VAL 70 9.700 16.243 1.949 504 HG12 VAL 70 2HG1 VAL 70 9.768 15.751 0.256 505 HG13 VAL 70 3HG1 VAL 70 9.658 14.532 1.526 506 HG21 VAL 70 1HG2 VAL 70 11.418 17.460 0.665 507 HG22 VAL 70 2HG2 VAL 70 12.857 17.135 1.632 508 HG23 VAL 70 3HG2 VAL 70 12.769 16.570 -0.037 509 H LYS 71 H LYS 71 12.700 12.756 2.145 510 HA LYS 71 HA LYS 71 10.366 11.351 2.807 511 HB2 LYS 71 2HB LYS 71 12.055 10.447 1.292 512 HB3 LYS 71 3HB LYS 71 13.215 10.357 2.610 513 HG2 LYS 71 2HG LYS 71 10.709 8.940 3.126 514 HG3 LYS 71 3HG LYS 71 11.639 8.309 1.765 515 HD2 LYS 71 2HD LYS 71 12.900 8.873 4.434 516 HD3 LYS 71 3HD LYS 71 12.124 7.329 4.073 517 HE2 LYS 71 2HE LYS 71 13.627 7.238 2.021 518 HE3 LYS 71 3HE LYS 71 14.522 8.571 2.750 519 HZ1 LYS 71 1HZ LYS 71 14.489 5.773 3.454 520 HZ2 LYS 71 2HZ LYS 71 14.363 6.815 4.780 521 HZ3 LYS 71 3HZ LYS 71 15.680 6.944 3.726 522 H SER 72 H SER 72 13.082 12.356 4.730 523 HA SER 72 HA SER 72 12.585 10.588 6.922 524 HB2 SER 72 2HB SER 72 14.703 12.138 6.202 525 HB3 SER 72 3HB SER 72 13.995 13.122 7.482 526 HG SER 72 HG SER 72 14.126 11.304 8.853 527 H ARG 73 H ARG 73 12.084 14.090 6.474 528 HA ARG 73 HA ARG 73 10.749 14.553 8.882 529 HB2 ARG 73 2HB ARG 73 9.823 16.574 7.729 530 HB3 ARG 73 3HB ARG 73 11.570 16.407 7.608 531 HG2 ARG 73 2HG ARG 73 11.286 15.462 5.344 532 HG3 ARG 73 3HG ARG 73 9.550 15.753 5.474 533 HD2 ARG 73 2HD ARG 73 10.620 17.546 4.236 534 HD3 ARG 73 3HD ARG 73 9.985 18.149 5.767 535 HE ARG 73 HE ARG 73 12.556 17.554 6.357 536 HH11 ARG 73 1HH1 ARG 73 11.054 19.447 3.851 537 HH12 ARG 73 2HH1 ARG 73 12.387 20.543 3.700 538 HH21 ARG 73 1HH2 ARG 73 14.317 18.991 6.168 539 HH22 ARG 73 2HH2 ARG 73 14.242 20.283 5.018 540 H MET 74 H MET 74 9.486 13.663 5.694 541 HA MET 74 HA MET 74 6.750 13.802 6.402 542 HB2 MET 74 2HB MET 74 8.154 12.258 4.218 543 HB3 MET 74 3HB MET 74 6.407 12.398 4.358 544 HG2 MET 74 2HG MET 74 8.305 14.708 4.012 545 HG3 MET 74 3HG MET 74 7.373 13.954 2.721 546 HE1 MET 74 1HE MET 74 4.685 13.850 2.762 547 HE2 MET 74 2HE MET 74 4.645 13.335 4.448 548 HE3 MET 74 3HE MET 74 3.691 14.725 3.927 549 H ALA 75 H ALA 75 9.188 11.326 6.732 550 HA ALA 75 HA ALA 75 7.673 9.044 7.058 551 HB1 ALA 75 1HB ALA 75 10.098 9.742 8.705 552 HB2 ALA 75 2HB ALA 75 9.502 8.130 8.304 553 HB3 ALA 75 3HB ALA 75 10.161 9.167 7.039 554 H GLN 76 H GLN 76 8.230 11.669 9.330 555 HA GLN 76 HA GLN 76 7.078 10.361 11.581 556 HB2 GLN 76 2HB GLN 76 8.634 12.232 11.837 557 HB3 GLN 76 3HB GLN 76 7.494 13.305 11.035 558 HG2 GLN 76 2HG GLN 76 6.659 13.800 13.019 559 HG3 GLN 76 3HG GLN 76 6.067 12.144 13.133 560 HE21 GLN 76 1HE2 GLN 76 7.741 10.544 13.899 561 HE22 GLN 76 2HE2 GLN 76 8.752 11.046 15.207 562 H LYS 77 H LYS 77 5.847 12.562 9.112 563 HA LYS 77 HA LYS 77 3.235 12.739 10.305 564 HB2 LYS 77 2HB LYS 77 4.630 13.903 8.000 565 HB3 LYS 77 3HB LYS 77 2.925 13.583 7.710 566 HG2 LYS 77 2HG LYS 77 2.999 15.781 8.492 567 HG3 LYS 77 3HG LYS 77 2.485 14.827 9.886 568 HD2 LYS 77 2HD LYS 77 5.136 14.754 10.263 569 HD3 LYS 77 3HD LYS 77 5.012 16.294 9.408 570 HE2 LYS 77 2HE LYS 77 3.996 17.313 11.138 571 HE3 LYS 77 3HE LYS 77 3.023 15.896 11.531 572 HZ1 LYS 77 1HZ LYS 77 5.018 16.775 13.050 573 HZ2 LYS 77 2HZ LYS 77 5.865 15.674 12.085 574 HZ3 LYS 77 3HZ LYS 77 4.539 15.153 12.997 575 H ASP 78 H ASP 78 1.305 11.865 9.486 576 HA ASP 78 HA ASP 78 1.506 9.805 7.428 577 HB2 ASP 78 2HB ASP 78 0.957 9.313 10.308 578 HB3 ASP 78 3HB ASP 78 -0.022 8.425 9.144 579 H SER 79 H SER 79 -0.808 8.812 7.122 580 HA SER 79 HA SER 79 -2.479 10.852 6.211 581 HB2 SER 79 2HB SER 79 -3.901 8.374 6.841 582 HB3 SER 79 3HB SER 79 -3.646 9.160 5.284 583 HG SER 79 HG SER 79 -2.585 7.182 5.297 584 HA PRO 80 HA PRO 80 -4.909 12.157 9.621 585 HB2 PRO 80 2HB PRO 80 -7.378 12.411 8.520 586 HB3 PRO 80 3HB PRO 80 -6.049 13.521 8.166 587 HG2 PRO 80 2HG PRO 80 -7.053 11.198 6.568 588 HG3 PRO 80 3HG PRO 80 -6.569 12.811 6.013 589 HD2 PRO 80 2HD PRO 80 -4.947 10.653 5.808 590 HD3 PRO 80 3HD PRO 80 -4.324 12.295 6.070 591 H GLU 81 H GLU 81 -6.250 9.450 7.778 592 HA GLU 81 HA GLU 81 -8.065 8.620 9.812 593 HB2 GLU 81 2HB GLU 81 -6.954 7.217 7.383 594 HB3 GLU 81 3HB GLU 81 -8.137 6.484 8.457 595 HG2 GLU 81 2HG GLU 81 -8.815 9.161 7.437 596 HG3 GLU 81 3HG GLU 81 -8.768 7.865 6.243 597 H GLU 82 H GLU 82 -4.789 7.681 8.886 598 HA GLU 82 HA GLU 82 -4.558 5.480 10.638 599 HB2 GLU 82 2HB GLU 82 -2.907 6.833 8.763 600 HB3 GLU 82 3HB GLU 82 -2.016 6.734 10.275 601 HG2 GLU 82 2HG GLU 82 -3.200 4.211 9.847 602 HG3 GLU 82 3HG GLU 82 -2.469 4.714 8.324 603 H VAL 83 H VAL 83 -3.649 8.892 10.982 604 HA VAL 83 HA VAL 83 -2.514 8.659 13.555 605 HB VAL 83 HB VAL 83 -3.789 11.080 12.274 606 HG11 VAL 83 1HG1 VAL 83 -3.613 11.649 14.514 607 HG12 VAL 83 2HG1 VAL 83 -2.140 10.704 14.743 608 HG13 VAL 83 3HG1 VAL 83 -2.083 12.224 13.851 609 HG21 VAL 83 1HG2 VAL 83 -0.891 10.999 12.392 610 HG22 VAL 83 2HG2 VAL 83 -1.558 9.669 11.446 611 HG23 VAL 83 3HG2 VAL 83 -1.956 11.335 11.027 612 H LEU 84 H LEU 84 -5.779 9.513 12.468 613 HA LEU 84 HA LEU 84 -6.867 10.121 14.974 614 HB2 LEU 84 2HB LEU 84 -7.858 9.536 12.296 615 HB3 LEU 84 3HB LEU 84 -8.960 9.017 13.570 616 HG LEU 84 HG LEU 84 -7.888 11.822 13.270 617 HD11 LEU 84 1HD1 LEU 84 -10.326 10.477 12.205 618 HD12 LEU 84 2HD1 LEU 84 -9.274 11.670 11.445 619 HD13 LEU 84 3HD1 LEU 84 -10.413 12.168 12.696 620 HD21 LEU 84 1HD2 LEU 84 -8.720 10.782 15.542 621 HD22 LEU 84 2HD2 LEU 84 -10.309 11.088 14.839 622 HD23 LEU 84 3HD2 LEU 84 -9.172 12.419 15.066 623 H LYS 85 H LYS 85 -6.891 7.057 13.165 624 HA LYS 85 HA LYS 85 -8.272 5.542 15.075 625 HB2 LYS 85 2HB LYS 85 -7.707 4.936 12.653 626 HB3 LYS 85 3HB LYS 85 -6.134 4.435 13.261 627 HG2 LYS 85 2HG LYS 85 -8.506 3.333 14.638 628 HG3 LYS 85 3HG LYS 85 -8.191 2.763 12.997 629 HD2 LYS 85 2HD LYS 85 -5.985 2.838 15.019 630 HD3 LYS 85 3HD LYS 85 -7.141 1.504 15.014 631 HE2 LYS 85 2HE LYS 85 -6.121 2.126 12.361 632 HE3 LYS 85 3HE LYS 85 -4.845 1.682 13.493 633 HZ1 LYS 85 1HZ LYS 85 -7.108 0.080 12.524 634 HZ2 LYS 85 2HZ LYS 85 -6.472 -0.246 14.057 635 HZ3 LYS 85 3HZ LYS 85 -5.481 -0.351 12.691 636 H ALA 86 H ALA 86 -4.808 6.130 14.642 637 HA ALA 86 HA ALA 86 -3.840 4.375 16.584 638 HB1 ALA 86 1HB ALA 86 -1.800 5.410 16.332 639 HB2 ALA 86 2HB ALA 86 -2.601 5.851 14.823 640 HB3 ALA 86 3HB ALA 86 -2.515 7.013 16.147 641 H PHE 87 H PHE 87 -4.709 7.814 16.883 642 HA PHE 87 HA PHE 87 -4.097 8.085 19.603 643 HB2 PHE 87 2HB PHE 87 -4.564 9.952 17.976 644 HB3 PHE 87 3HB PHE 87 -6.276 9.569 18.125 645 HD1 PHE 87 HD1 PHE 87 -7.547 10.425 19.888 646 HD2 PHE 87 HD2 PHE 87 -3.300 10.644 20.051 647 HE1 PHE 87 HE1 PHE 87 -7.702 11.882 21.864 648 HE2 PHE 87 HE2 PHE 87 -3.447 12.101 22.027 649 HZ PHE 87 HZ PHE 87 -5.650 12.721 22.937 650 H GLN 88 H GLN 88 -7.170 7.296 18.004 651 HA GLN 88 HA GLN 88 -8.788 7.161 20.260 652 HB2 GLN 88 2HB GLN 88 -9.514 7.039 17.845 653 HB3 GLN 88 3HB GLN 88 -9.025 5.350 17.857 654 HG2 GLN 88 2HG GLN 88 -10.644 5.513 20.059 655 HG3 GLN 88 3HG GLN 88 -11.419 6.617 18.923 656 HE21 GLN 88 1HE2 GLN 88 -10.099 3.350 19.191 657 HE22 GLN 88 2HE2 GLN 88 -11.211 2.619 18.090 658 H LEU 89 H LEU 89 -6.767 4.655 18.781 659 HA LEU 89 HA LEU 89 -7.541 2.559 20.504 660 HB2 LEU 89 2HB LEU 89 -6.435 2.148 18.385 661 HB3 LEU 89 3HB LEU 89 -4.987 2.973 18.957 662 HG LEU 89 HG LEU 89 -4.801 1.164 20.713 663 HD11 LEU 89 1HD1 LEU 89 -7.162 0.210 19.200 664 HD12 LEU 89 2HD1 LEU 89 -6.762 0.040 20.909 665 HD13 LEU 89 3HD1 LEU 89 -5.981 -0.996 19.714 666 HD21 LEU 89 1HD2 LEU 89 -3.679 1.337 18.337 667 HD22 LEU 89 2HD2 LEU 89 -4.653 -0.099 18.022 668 HD23 LEU 89 3HD2 LEU 89 -3.479 -0.101 19.339 669 H PHE 90 H PHE 90 -4.816 4.830 20.610 670 HA PHE 90 HA PHE 90 -3.532 3.808 22.865 671 HB2 PHE 90 2HB PHE 90 -3.313 6.114 21.212 672 HB3 PHE 90 3HB PHE 90 -3.316 6.656 22.887 673 HD1 PHE 90 HD1 PHE 90 -1.715 4.138 20.661 674 HD2 PHE 90 HD2 PHE 90 -1.346 6.639 24.085 675 HE1 PHE 90 HE1 PHE 90 0.655 3.506 20.863 676 HE2 PHE 90 HE2 PHE 90 1.024 6.012 24.292 677 HZ PHE 90 HZ PHE 90 2.028 4.444 22.680 678 H ASP 91 H ASP 91 -6.323 5.899 22.573 679 HA ASP 91 HA ASP 91 -6.998 5.431 25.340 680 HB2 ASP 91 2HB ASP 91 -7.358 8.007 25.614 681 HB3 ASP 91 3HB ASP 91 -5.760 7.316 25.883 682 H LEU 92 H LEU 92 -9.088 4.973 25.339 683 HA LEU 92 HA LEU 92 -10.780 5.393 23.132 684 HB2 LEU 92 2HB LEU 92 -12.586 4.650 24.629 685 HB3 LEU 92 3HB LEU 92 -11.178 3.590 24.669 686 HG LEU 92 HG LEU 92 -10.900 5.495 26.759 687 HD11 LEU 92 1HD1 LEU 92 -13.542 4.052 26.849 688 HD12 LEU 92 2HD1 LEU 92 -13.357 5.772 26.512 689 HD13 LEU 92 3HD1 LEU 92 -12.865 5.123 28.076 690 HD21 LEU 92 1HD2 LEU 92 -11.636 2.580 26.944 691 HD22 LEU 92 2HD2 LEU 92 -10.765 3.551 28.132 692 HD23 LEU 92 3HD2 LEU 92 -10.009 3.161 26.586 693 H ASP 93 H ASP 93 -10.233 7.231 26.069 694 HA ASP 93 HA ASP 93 -12.370 9.101 25.388 695 HB2 ASP 93 2HB ASP 93 -10.782 8.494 27.816 696 HB3 ASP 93 3HB ASP 93 -11.260 10.175 27.600 697 H LYS 94 H LYS 94 -11.656 11.503 25.959 698 HA LYS 94 HA LYS 94 -9.137 12.043 24.532 699 HB2 LYS 94 2HB LYS 94 -10.287 14.098 23.624 700 HB3 LYS 94 3HB LYS 94 -10.864 12.566 22.982 701 HG2 LYS 94 2HG LYS 94 -12.357 13.386 25.324 702 HG3 LYS 94 3HG LYS 94 -12.404 14.600 24.043 703 HD2 LYS 94 2HD LYS 94 -13.148 12.896 22.454 704 HD3 LYS 94 3HD LYS 94 -13.087 11.675 23.728 705 HE2 LYS 94 2HE LYS 94 -14.799 12.880 24.977 706 HE3 LYS 94 3HE LYS 94 -14.839 14.133 23.738 707 HZ1 LYS 94 1HZ LYS 94 -15.379 12.167 22.180 708 HZ2 LYS 94 2HZ LYS 94 -16.604 12.796 23.162 709 HZ3 LYS 94 3HZ LYS 94 -15.822 11.361 23.600 710 H LYS 95 H LYS 95 -8.362 12.091 26.812 711 HA LYS 95 HA LYS 95 -9.205 14.160 28.572 712 HB2 LYS 95 2HB LYS 95 -7.103 13.614 29.809 713 HB3 LYS 95 3HB LYS 95 -8.131 12.222 29.495 714 HG2 LYS 95 2HG LYS 95 -6.430 12.311 27.311 715 HG3 LYS 95 3HG LYS 95 -5.404 12.730 28.685 716 HD2 LYS 95 2HD LYS 95 -7.271 10.382 28.784 717 HD3 LYS 95 3HD LYS 95 -5.661 10.246 28.073 718 HE2 LYS 95 2HE LYS 95 -5.063 11.471 30.401 719 HE3 LYS 95 3HE LYS 95 -6.479 10.542 30.892 720 HZ1 LYS 95 1HZ LYS 95 -5.396 8.597 30.656 721 HZ2 LYS 95 2HZ LYS 95 -4.022 9.553 30.895 722 HZ3 LYS 95 3HZ LYS 95 -4.485 9.116 29.328 723 H GLY 96 H GLY 96 -6.782 13.923 26.052 724 HA2 GLY 96 2HA GLY 96 -5.615 15.582 24.962 725 HA3 GLY 96 3HA GLY 96 -6.575 16.759 25.846 726 H LYS 97 H LYS 97 -4.978 14.475 27.805 727 HA LYS 97 HA LYS 97 -2.891 16.460 28.429 728 HB2 LYS 97 2HB LYS 97 -4.566 14.704 30.178 729 HB3 LYS 97 3HB LYS 97 -2.950 15.146 30.712 730 HG2 LYS 97 2HG LYS 97 -3.481 17.430 30.788 731 HG3 LYS 97 3HG LYS 97 -4.957 17.201 29.847 732 HD2 LYS 97 2HD LYS 97 -4.703 15.756 32.434 733 HD3 LYS 97 3HD LYS 97 -5.012 17.493 32.478 734 HE2 LYS 97 2HE LYS 97 -6.731 16.340 30.535 735 HE3 LYS 97 3HE LYS 97 -6.843 15.370 32.002 736 HZ1 LYS 97 1HZ LYS 97 -7.139 17.566 33.195 737 HZ2 LYS 97 2HZ LYS 97 -8.435 17.045 32.242 738 HZ3 LYS 97 3HZ LYS 97 -7.400 18.256 31.673 739 H ILE 98 H ILE 98 -1.211 15.682 27.233 740 HA ILE 98 HA ILE 98 -0.227 13.011 27.978 741 HB ILE 98 HB ILE 98 -0.046 14.188 25.203 742 HG12 ILE 98 2HG1 ILE 98 -1.481 11.811 25.081 743 HG13 ILE 98 3HG1 ILE 98 -2.116 12.610 26.516 744 HG21 ILE 98 1HG2 ILE 98 1.748 12.809 25.208 745 HG22 ILE 98 2HG2 ILE 98 1.126 11.825 26.532 746 HG23 ILE 98 3HG2 ILE 98 0.514 11.588 24.895 747 HD11 ILE 98 1HD1 ILE 98 -3.274 13.056 24.295 748 HD12 ILE 98 2HD1 ILE 98 -2.864 14.452 25.294 749 HD13 ILE 98 3HD1 ILE 98 -1.867 14.043 23.898 750 H SER 99 H SER 99 1.828 12.963 28.634 751 HA SER 99 HA SER 99 3.310 15.382 28.895 752 HB2 SER 99 2HB SER 99 4.014 12.494 29.442 753 HB3 SER 99 3HB SER 99 5.114 13.833 29.771 754 HG SER 99 HG SER 99 2.767 13.090 31.067 755 H PHE 100 H PHE 100 4.813 16.243 27.610 756 HA PHE 100 HA PHE 100 5.208 15.358 24.986 757 HB2 PHE 100 2HB PHE 100 6.928 17.077 24.833 758 HB3 PHE 100 3HB PHE 100 5.540 17.695 25.723 759 HD1 PHE 100 HD1 PHE 100 9.058 16.849 25.858 760 HD2 PHE 100 HD2 PHE 100 5.666 17.985 28.166 761 HE1 PHE 100 HE1 PHE 100 10.539 17.473 27.722 762 HE2 PHE 100 HE2 PHE 100 7.141 18.611 30.032 763 HZ PHE 100 HZ PHE 100 9.581 18.356 29.812 764 H ALA 101 H ALA 101 7.065 14.815 27.920 765 HA ALA 101 HA ALA 101 9.376 13.725 26.761 766 HB1 ALA 101 1HB ALA 101 9.761 14.145 28.954 767 HB2 ALA 101 2HB ALA 101 8.131 13.683 29.444 768 HB3 ALA 101 3HB ALA 101 9.333 12.440 29.100 769 H ASN 102 H ASN 102 6.516 12.069 28.104 770 HA ASN 102 HA ASN 102 7.272 9.463 27.501 771 HB2 ASN 102 2HB ASN 102 4.618 10.809 27.875 772 HB3 ASN 102 3HB ASN 102 4.679 9.124 27.363 773 HD21 ASN 102 1HD2 ASN 102 5.540 7.574 28.762 774 HD22 ASN 102 2HD2 ASN 102 5.700 7.872 30.457 775 H LEU 103 H LEU 103 5.387 11.757 25.550 776 HA LEU 103 HA LEU 103 4.845 10.094 23.384 777 HB2 LEU 103 2HB LEU 103 3.795 12.266 23.691 778 HB3 LEU 103 3HB LEU 103 5.340 13.068 23.415 779 HG LEU 103 HG LEU 103 5.296 12.086 21.088 780 HD11 LEU 103 1HD1 LEU 103 2.988 11.522 20.270 781 HD12 LEU 103 2HD1 LEU 103 2.499 11.401 21.960 782 HD13 LEU 103 3HD1 LEU 103 3.735 10.317 21.320 783 HD21 LEU 103 1HD2 LEU 103 4.637 14.131 20.543 784 HD22 LEU 103 2HD2 LEU 103 4.019 14.357 22.179 785 HD23 LEU 103 3HD2 LEU 103 2.964 13.716 20.919 786 H LYS 104 H LYS 104 7.600 12.275 23.913 787 HA LYS 104 HA LYS 104 8.915 11.859 21.494 788 HB2 LYS 104 2HB LYS 104 9.445 13.538 23.360 789 HB3 LYS 104 3HB LYS 104 10.354 12.234 24.114 790 HG2 LYS 104 2HG LYS 104 11.281 12.246 21.517 791 HG3 LYS 104 3HG LYS 104 11.064 13.957 21.893 792 HD2 LYS 104 2HD LYS 104 12.477 12.100 23.782 793 HD3 LYS 104 3HD LYS 104 13.327 12.880 22.446 794 HE2 LYS 104 2HE LYS 104 11.665 14.502 24.332 795 HE3 LYS 104 3HE LYS 104 13.295 14.009 24.788 796 HZ1 LYS 104 1HZ LYS 104 12.868 16.253 23.549 797 HZ2 LYS 104 2HZ LYS 104 12.893 15.271 22.173 798 HZ3 LYS 104 3HZ LYS 104 14.237 15.323 23.198 799 H GLU 105 H GLU 105 9.309 10.132 24.581 800 HA GLU 105 HA GLU 105 11.302 8.361 23.804 801 HB2 GLU 105 2HB GLU 105 10.417 8.693 26.131 802 HB3 GLU 105 3HB GLU 105 9.024 7.719 25.681 803 HG2 GLU 105 2HG GLU 105 10.129 5.862 26.130 804 HG3 GLU 105 3HG GLU 105 11.401 6.305 24.993 805 H VAL 106 H VAL 106 7.773 7.890 23.702 806 HA VAL 106 HA VAL 106 7.748 5.334 22.605 807 HB VAL 106 HB VAL 106 5.747 7.549 22.135 808 HG11 VAL 106 1HG1 VAL 106 5.121 5.995 20.571 809 HG12 VAL 106 2HG1 VAL 106 5.759 4.638 21.502 810 HG13 VAL 106 3HG1 VAL 106 4.242 5.402 21.979 811 HG21 VAL 106 1HG2 VAL 106 5.200 7.324 24.275 812 HG22 VAL 106 2HG2 VAL 106 4.811 5.629 23.982 813 HG23 VAL 106 3HG2 VAL 106 6.438 6.086 24.488 814 H ALA 107 H ALA 107 7.910 8.484 21.006 815 HA ALA 107 HA ALA 107 7.628 7.604 18.361 816 HB1 ALA 107 1HB ALA 107 7.699 9.791 18.008 817 HB2 ALA 107 2HB ALA 107 8.198 10.043 19.682 818 HB3 ALA 107 3HB ALA 107 9.413 9.816 18.424 819 H LYS 108 H LYS 108 10.584 8.214 20.254 820 HA LYS 108 HA LYS 108 12.397 7.425 18.253 821 HB2 LYS 108 2HB LYS 108 12.752 7.324 21.255 822 HB3 LYS 108 3HB LYS 108 14.044 7.273 20.063 823 HG2 LYS 108 2HG LYS 108 12.158 9.577 20.519 824 HG3 LYS 108 3HG LYS 108 13.835 9.482 21.063 825 HD2 LYS 108 2HD LYS 108 14.500 9.216 18.658 826 HD3 LYS 108 3HD LYS 108 12.825 9.564 18.223 827 HE2 LYS 108 2HE LYS 108 14.211 11.456 20.045 828 HE3 LYS 108 3HE LYS 108 14.681 11.460 18.346 829 HZ1 LYS 108 1HZ LYS 108 12.375 12.565 19.553 830 HZ2 LYS 108 2HZ LYS 108 11.916 11.425 18.391 831 HZ3 LYS 108 3HZ LYS 108 12.918 12.718 17.958 832 H LEU 109 H LEU 109 10.610 5.615 20.658 833 HA LEU 109 HA LEU 109 12.041 3.211 20.581 834 HB2 LEU 109 2HB LEU 109 10.278 3.792 22.224 835 HB3 LEU 109 3HB LEU 109 9.071 3.563 20.960 836 HG LEU 109 HG LEU 109 9.871 1.172 20.799 837 HD11 LEU 109 1HD1 LEU 109 11.765 2.176 22.711 838 HD12 LEU 109 2HD1 LEU 109 11.720 0.616 21.889 839 HD13 LEU 109 3HD1 LEU 109 10.841 0.841 23.401 840 HD21 LEU 109 1HD2 LEU 109 8.899 1.491 23.560 841 HD22 LEU 109 2HD2 LEU 109 8.232 0.560 22.219 842 HD23 LEU 109 3HD2 LEU 109 7.946 2.298 22.315 843 H LEU 110 H LEU 110 9.633 4.543 18.418 844 HA LEU 110 HA LEU 110 9.076 2.166 16.983 845 HB2 LEU 110 2HB LEU 110 8.836 5.069 16.219 846 HB3 LEU 110 3HB LEU 110 8.259 3.741 15.215 847 HG LEU 110 HG LEU 110 7.268 4.182 18.020 848 HD11 LEU 110 1HD1 LEU 110 5.232 5.093 16.600 849 HD12 LEU 110 2HD1 LEU 110 6.526 5.560 15.497 850 HD13 LEU 110 3HD1 LEU 110 6.526 6.155 17.158 851 HD21 LEU 110 1HD2 LEU 110 6.920 2.142 16.119 852 HD22 LEU 110 2HD2 LEU 110 5.410 3.052 16.156 853 HD23 LEU 110 3HD2 LEU 110 6.060 2.360 17.643 854 H GLY 111 H GLY 111 11.806 4.181 17.073 855 HA2 GLY 111 2HA GLY 111 13.853 3.740 16.030 856 HA3 GLY 111 3HA GLY 111 13.029 2.657 14.920 857 H GLU 112 H GLU 112 11.653 5.775 15.372 858 HA GLU 112 HA GLU 112 12.428 6.482 12.642 859 HB2 GLU 112 2HB GLU 112 10.001 6.511 13.599 860 HB3 GLU 112 3HB GLU 112 10.485 8.047 14.305 861 HG2 GLU 112 2HG GLU 112 9.784 8.938 12.391 862 HG3 GLU 112 3HG GLU 112 11.299 8.338 11.720 863 H ASN 113 H ASN 113 13.759 8.122 12.163 864 HA ASN 113 HA ASN 113 14.701 9.806 14.390 865 HB2 ASN 113 2HB ASN 113 16.382 8.224 13.382 866 HB3 ASN 113 3HB ASN 113 16.233 9.122 11.875 867 HD21 ASN 113 1HD2 ASN 113 18.652 9.107 12.622 868 HD22 ASN 113 2HD2 ASN 113 19.149 10.544 13.444 869 HA PRO 114 HA PRO 114 12.557 12.571 11.331 870 HB2 PRO 114 2HB PRO 114 11.203 13.991 13.207 871 HB3 PRO 114 3HB PRO 114 10.588 12.487 12.513 872 HG2 PRO 114 2HG PRO 114 11.984 12.937 15.123 873 HG3 PRO 114 3HG PRO 114 10.568 11.929 14.770 874 HD2 PRO 114 2HD PRO 114 13.058 10.900 15.039 875 HD3 PRO 114 3HD PRO 114 11.848 10.199 13.946 876 H GLY 115 H GLY 115 12.547 15.017 11.348 877 HA2 GLY 115 2HA GLY 115 15.183 15.936 12.030 878 HA3 GLY 115 3HA GLY 115 13.922 16.873 11.243 879 H ASP 116 H ASP 116 15.826 17.319 13.596 880 HA ASP 116 HA ASP 116 14.465 17.483 15.999 881 HB2 ASP 116 2HB ASP 116 16.858 18.674 14.840 882 HB3 ASP 116 3HB ASP 116 16.060 19.757 15.978 883 H ASP 117 H ASP 117 14.433 19.696 13.260 884 HA ASP 117 HA ASP 117 13.096 21.844 14.442 885 HB2 ASP 117 2HB ASP 117 12.391 22.421 12.125 886 HB3 ASP 117 3HB ASP 117 14.110 22.062 12.256 887 H VAL 118 H VAL 118 11.869 18.852 13.053 888 HA VAL 118 HA VAL 118 9.123 19.583 13.116 889 HB VAL 118 HB VAL 118 10.338 16.816 13.145 890 HG11 VAL 118 1HG1 VAL 118 8.128 16.467 13.719 891 HG12 VAL 118 2HG1 VAL 118 7.555 17.839 12.770 892 HG13 VAL 118 3HG1 VAL 118 8.069 16.359 11.960 893 HG21 VAL 118 1HG2 VAL 118 11.152 17.651 11.175 894 HG22 VAL 118 2HG2 VAL 118 9.576 17.073 10.634 895 HG23 VAL 118 3HG2 VAL 118 9.817 18.786 10.975 896 H LEU 119 H LEU 119 11.327 18.202 15.445 897 HA LEU 119 HA LEU 119 9.344 17.283 17.272 898 HB2 LEU 119 2HB LEU 119 11.936 16.779 17.038 899 HB3 LEU 119 3HB LEU 119 12.046 18.084 18.218 900 HG LEU 119 HG LEU 119 12.088 15.942 19.336 901 HD11 LEU 119 1HD1 LEU 119 10.809 17.958 20.262 902 HD12 LEU 119 2HD1 LEU 119 10.503 16.381 20.989 903 HD13 LEU 119 3HD1 LEU 119 9.352 17.060 19.838 904 HD21 LEU 119 1HD2 LEU 119 9.327 15.389 18.289 905 HD22 LEU 119 2HD2 LEU 119 10.419 14.299 19.142 906 HD23 LEU 119 3HD2 LEU 119 10.777 14.788 17.486 907 H GLN 120 H GLN 120 11.540 20.095 17.372 908 HA GLN 120 HA GLN 120 10.400 21.287 19.637 909 HB2 GLN 120 2HB GLN 120 11.704 22.796 17.376 910 HB3 GLN 120 3HB GLN 120 11.648 23.237 19.077 911 HG2 GLN 120 2HG GLN 120 13.290 21.127 17.736 912 HG3 GLN 120 3HG GLN 120 13.818 22.471 18.748 913 HE21 GLN 120 1HE2 GLN 120 13.849 19.336 18.754 914 HE22 GLN 120 2HE2 GLN 120 13.525 18.973 20.412 915 H GLU 121 H GLU 121 9.741 21.766 16.186 916 HA GLU 121 HA GLU 121 7.871 23.845 16.480 917 HB2 GLU 121 2HB GLU 121 8.324 21.794 14.323 918 HB3 GLU 121 3HB GLU 121 7.046 22.994 14.203 919 HG2 GLU 121 2HG GLU 121 9.612 24.168 14.879 920 HG3 GLU 121 3HG GLU 121 9.646 23.285 13.354 921 H MET 122 H MET 122 7.448 20.327 16.273 922 HA MET 122 HA MET 122 4.665 20.244 16.291 923 HB2 MET 122 2HB MET 122 6.024 18.275 15.835 924 HB3 MET 122 3HB MET 122 6.635 18.286 17.483 925 HG2 MET 122 2HG MET 122 4.677 17.487 18.365 926 HG3 MET 122 3HG MET 122 3.700 18.106 17.035 927 HE1 MET 122 1HE MET 122 2.593 15.543 17.578 928 HE2 MET 122 2HE MET 122 2.366 16.278 15.991 929 HE3 MET 122 3HE MET 122 2.804 14.574 16.119 930 H ILE 123 H ILE 123 6.886 19.962 19.068 931 HA ILE 123 HA ILE 123 4.929 19.873 21.060 932 HB ILE 123 HB ILE 123 7.727 20.997 21.251 933 HG12 ILE 123 2HG1 ILE 123 7.616 18.650 20.470 934 HG13 ILE 123 3HG1 ILE 123 8.352 18.788 22.063 935 HG21 ILE 123 1HG2 ILE 123 7.151 21.618 23.307 936 HG22 ILE 123 2HG2 ILE 123 5.576 20.840 23.167 937 HG23 ILE 123 3HG2 ILE 123 6.975 19.908 23.700 938 HD11 ILE 123 1HD1 ILE 123 6.278 18.071 23.098 939 HD12 ILE 123 2HD1 ILE 123 5.509 17.972 21.514 940 HD13 ILE 123 3HD1 ILE 123 6.838 16.886 21.919 941 H ALA 124 H ALA 124 6.501 22.615 19.496 942 HA ALA 124 HA ALA 124 5.570 24.646 21.189 943 HB1 ALA 124 1HB ALA 124 7.325 25.083 19.609 944 HB2 ALA 124 2HB ALA 124 6.252 24.728 18.254 945 HB3 ALA 124 3HB ALA 124 5.967 26.151 19.256 946 H GLU 125 H GLU 125 4.145 23.232 18.263 947 HA GLU 125 HA GLU 125 1.897 24.950 18.176 948 HB2 GLU 125 2HB GLU 125 2.793 22.512 16.806 949 HB3 GLU 125 3HB GLU 125 1.046 22.655 16.942 950 HG2 GLU 125 2HG GLU 125 2.135 25.163 16.120 951 HG3 GLU 125 3HG GLU 125 2.751 23.883 15.077 952 H ALA 126 H ALA 126 2.182 21.558 19.245 953 HA ALA 126 HA ALA 126 -0.413 21.267 20.214 954 HB1 ALA 126 1HB ALA 126 1.604 19.836 21.771 955 HB2 ALA 126 2HB ALA 126 0.262 19.218 20.806 956 HB3 ALA 126 3HB ALA 126 1.783 19.651 20.026 957 H ASP 127 H ASP 127 2.379 22.794 21.638 958 HA ASP 127 HA ASP 127 1.480 22.860 24.317 959 HB2 ASP 127 2HB ASP 127 3.771 23.288 24.013 960 HB3 ASP 127 3HB ASP 127 3.472 24.484 22.755 961 H GLU 128 H GLU 128 0.762 24.797 21.521 962 HA GLU 128 HA GLU 128 -0.217 27.107 22.763 963 HB2 GLU 128 2HB GLU 128 0.140 26.396 20.204 964 HB3 GLU 128 3HB GLU 128 -1.595 26.136 20.318 965 HG2 GLU 128 2HG GLU 128 -2.030 28.377 20.753 966 HG3 GLU 128 3HG GLU 128 -0.365 28.706 21.228 967 H ASP 129 H ASP 129 -1.589 23.944 22.401 968 HA ASP 129 HA ASP 129 -4.307 24.557 22.763 969 HB2 ASP 129 2HB ASP 129 -3.207 22.322 22.083 970 HB3 ASP 129 3HB ASP 129 -3.032 22.041 23.813 971 H GLY 130 H GLY 130 -1.653 24.309 25.008 972 HA2 GLY 130 2HA GLY 130 -3.344 25.395 27.108 973 HA3 GLY 130 3HA GLY 130 -2.665 23.807 27.432 974 H ASP 131 H ASP 131 -1.210 24.218 28.996 975 HA ASP 131 HA ASP 131 0.963 26.084 28.324 976 HB2 ASP 131 2HB ASP 131 -0.588 25.859 30.886 977 HB3 ASP 131 3HB ASP 131 1.078 26.432 30.902 978 H GLY 132 H GLY 132 2.278 24.381 27.640 979 HA2 GLY 132 2HA GLY 132 4.093 23.000 28.108 980 HA3 GLY 132 3HA GLY 132 3.610 22.980 29.797 981 H GLU 133 H GLU 133 1.209 22.257 27.432 982 HA GLU 133 HA GLU 133 1.480 19.387 28.042 983 HB2 GLU 133 2HB GLU 133 -0.994 21.102 27.939 984 HB3 GLU 133 3HB GLU 133 -1.069 19.352 27.786 985 HG2 GLU 133 2HG GLU 133 -0.315 19.009 29.968 986 HG3 GLU 133 3HG GLU 133 0.288 20.659 30.113 987 H VAL 134 H VAL 134 0.937 17.924 26.408 988 HA VAL 134 HA VAL 134 0.847 19.105 23.712 989 HB VAL 134 HB VAL 134 1.841 16.376 24.547 990 HG11 VAL 134 1HG1 VAL 134 1.182 17.556 21.951 991 HG12 VAL 134 2HG1 VAL 134 2.795 16.843 22.033 992 HG13 VAL 134 3HG1 VAL 134 1.376 15.866 22.414 993 HG21 VAL 134 1HG2 VAL 134 3.992 17.560 23.508 994 HG22 VAL 134 2HG2 VAL 134 3.168 18.992 24.123 995 HG23 VAL 134 3HG2 VAL 134 3.582 17.675 25.220 996 H SER 135 H SER 135 -1.118 19.055 22.851 997 HA SER 135 HA SER 135 -2.837 16.726 23.402 998 HB2 SER 135 2HB SER 135 -3.744 18.852 24.268 999 HB3 SER 135 3HB SER 135 -3.675 19.536 22.644 1000 HG SER 135 HG SER 135 -5.695 18.798 22.741 1001 H PHE 136 H PHE 136 -2.638 15.364 21.738 1002 HA PHE 136 HA PHE 136 -1.872 15.975 19.141 1003 HB2 PHE 136 2HB PHE 136 -2.897 13.668 20.552 1004 HB3 PHE 136 3HB PHE 136 -3.568 13.751 18.926 1005 HD1 PHE 136 HD1 PHE 136 -1.594 14.584 17.173 1006 HD2 PHE 136 HD2 PHE 136 -1.090 12.284 20.718 1007 HE1 PHE 136 HE1 PHE 136 0.490 13.646 16.263 1008 HE2 PHE 136 HE2 PHE 136 0.996 11.343 19.815 1009 HZ PHE 136 HZ PHE 136 1.789 12.024 17.585 1010 H GLU 137 H GLU 137 -5.022 16.104 20.645 1011 HA GLU 137 HA GLU 137 -6.697 16.128 18.446 1012 HB2 GLU 137 2HB GLU 137 -7.389 16.179 20.859 1013 HB3 GLU 137 3HB GLU 137 -7.006 17.895 20.876 1014 HG2 GLU 137 2HG GLU 137 -8.705 18.339 19.231 1015 HG3 GLU 137 3HG GLU 137 -9.033 16.616 19.057 1016 H GLU 138 H GLU 138 -4.765 18.754 19.798 1017 HA GLU 138 HA GLU 138 -5.804 20.832 18.210 1018 HB2 GLU 138 2HB GLU 138 -4.089 20.756 20.277 1019 HB3 GLU 138 3HB GLU 138 -2.936 20.931 18.962 1020 HG2 GLU 138 2HG GLU 138 -5.291 22.756 19.147 1021 HG3 GLU 138 3HG GLU 138 -3.864 23.035 20.143 1022 H PHE 139 H PHE 139 -3.049 18.655 17.725 1023 HA PHE 139 HA PHE 139 -2.098 19.797 15.347 1024 HB2 PHE 139 2HB PHE 139 -1.348 17.690 16.976 1025 HB3 PHE 139 3HB PHE 139 -1.792 16.896 15.469 1026 HD1 PHE 139 HD1 PHE 139 0.394 19.480 16.948 1027 HD2 PHE 139 HD2 PHE 139 -0.394 17.000 13.580 1028 HE1 PHE 139 HE1 PHE 139 2.578 20.089 15.993 1029 HE2 PHE 139 HE2 PHE 139 1.790 17.604 12.620 1030 HZ PHE 139 HZ PHE 139 3.279 19.150 13.827 1031 H LYS 140 H LYS 140 -4.360 17.109 15.874 1032 HA LYS 140 HA LYS 140 -4.818 16.477 13.188 1033 HB2 LYS 140 2HB LYS 140 -5.524 15.172 15.260 1034 HB3 LYS 140 3HB LYS 140 -6.892 16.271 15.368 1035 HG2 LYS 140 2HG LYS 140 -7.572 14.246 14.269 1036 HG3 LYS 140 3HG LYS 140 -7.592 15.576 13.108 1037 HD2 LYS 140 2HD LYS 140 -5.036 14.164 13.230 1038 HD3 LYS 140 3HD LYS 140 -6.385 13.142 12.728 1039 HE2 LYS 140 2HE LYS 140 -5.814 15.832 11.505 1040 HE3 LYS 140 3HE LYS 140 -5.138 14.330 10.878 1041 HZ1 LYS 140 1HZ LYS 140 -7.954 15.203 10.935 1042 HZ2 LYS 140 2HZ LYS 140 -7.567 13.560 10.824 1043 HZ3 LYS 140 3HZ LYS 140 -7.044 14.635 9.627 1044 H SER 141 H SER 141 -6.514 18.734 15.337 1045 HA SER 141 HA SER 141 -8.539 19.504 13.576 1046 HB2 SER 141 2HB SER 141 -8.640 20.107 15.919 1047 HB3 SER 141 3HB SER 141 -7.177 21.081 15.772 1048 HG SER 141 HG SER 141 -9.081 22.355 15.694 1049 H VAL 142 H VAL 142 -5.356 20.988 14.143 1050 HA VAL 142 HA VAL 142 -5.578 23.084 12.317 1051 HB VAL 142 HB VAL 142 -3.083 21.570 13.102 1052 HG11 VAL 142 1HG1 VAL 142 -2.492 24.254 12.571 1053 HG12 VAL 142 2HG1 VAL 142 -2.029 22.844 11.616 1054 HG13 VAL 142 3HG1 VAL 142 -3.514 23.717 11.238 1055 HG21 VAL 142 1HG2 VAL 142 -4.773 23.022 14.718 1056 HG22 VAL 142 2HG2 VAL 142 -3.076 22.673 15.047 1057 HG23 VAL 142 3HG2 VAL 142 -3.531 24.195 14.281 1058 H MET 143 H MET 143 -4.207 19.831 11.851 1059 HA MET 143 HA MET 143 -3.440 20.098 9.193 1060 HB2 MET 143 2HB MET 143 -3.034 18.158 10.841 1061 HB3 MET 143 3HB MET 143 -4.587 17.543 10.292 1062 HG2 MET 143 2HG MET 143 -3.504 16.527 8.655 1063 HG3 MET 143 3HG MET 143 -3.209 18.117 7.957 1064 HE1 MET 143 1HE MET 143 -0.651 16.292 11.146 1065 HE2 MET 143 2HE MET 143 -2.279 15.814 10.666 1066 HE3 MET 143 3HE MET 143 -0.878 15.074 9.890 1067 H MET 144 H MET 144 -6.547 19.004 10.527 1068 HA MET 144 HA MET 144 -7.813 18.439 8.099 1069 HB2 MET 144 2HB MET 144 -8.641 17.832 10.392 1070 HB3 MET 144 3HB MET 144 -9.147 19.505 10.591 1071 HG2 MET 144 2HG MET 144 -10.888 19.302 9.135 1072 HG3 MET 144 3HG MET 144 -10.104 18.028 8.202 1073 HE1 MET 144 1HE MET 144 -10.585 17.250 12.376 1074 HE2 MET 144 2HE MET 144 -10.872 18.858 11.712 1075 HE3 MET 144 3HE MET 144 -12.236 17.831 12.155 1076 H GLN 145 H GLN 145 -7.679 21.446 9.976 1077 HA GLN 145 HA GLN 145 -9.400 22.970 8.388 1078 HB2 GLN 145 2HB GLN 145 -8.219 23.475 10.685 1079 HB3 GLN 145 3HB GLN 145 -7.005 24.228 9.660 1080 HG2 GLN 145 2HG GLN 145 -8.550 25.797 8.815 1081 HG3 GLN 145 3HG GLN 145 -9.921 24.917 9.488 1082 HE21 GLN 145 1HE2 GLN 145 -7.637 27.354 9.987 1083 HE22 GLN 145 2HE2 GLN 145 -8.007 27.705 11.637 1084 H MET 146 H MET 146 -5.878 22.554 8.193 1085 HA MET 146 HA MET 146 -5.425 24.312 6.061 1086 HB2 MET 146 2HB MET 146 -3.948 21.881 7.045 1087 HB3 MET 146 3HB MET 146 -3.381 22.808 5.662 1088 HG2 MET 146 2HG MET 146 -3.764 24.775 7.485 1089 HG3 MET 146 3HG MET 146 -3.289 23.431 8.522 1090 HE1 MET 146 1HE MET 146 -0.992 25.082 9.178 1091 HE2 MET 146 2HE MET 146 -1.135 23.328 9.294 1092 HE3 MET 146 3HE MET 146 0.314 24.050 8.592 1093 H ARG 147 H ARG 147 -6.039 20.810 6.057 1094 HA ARG 147 HA ARG 147 -5.823 20.367 3.318 1095 HB2 ARG 147 2HB ARG 147 -6.949 18.966 5.617 1096 HB3 ARG 147 3HB ARG 147 -7.831 18.643 4.130 1097 HG2 ARG 147 2HG ARG 147 -4.847 18.375 4.352 1098 HG3 ARG 147 3HG ARG 147 -5.966 17.050 4.677 1099 HD2 ARG 147 2HD ARG 147 -6.607 18.326 2.180 1100 HD3 ARG 147 3HD ARG 147 -4.915 17.832 2.202 1101 HE ARG 147 HE ARG 147 -7.215 16.121 2.102 1102 HH11 ARG 147 1HH1 ARG 147 -3.876 16.353 3.058 1103 HH12 ARG 147 2HH1 ARG 147 -3.593 14.647 2.955 1104 HH21 ARG 147 1HH2 ARG 147 -6.855 13.873 1.962 1105 HH22 ARG 147 2HH2 ARG 147 -5.287 13.237 2.331 1106 H GLY 148 H GLY 148 -8.666 21.293 5.238 1107 HA2 GLY 148 2HA GLY 148 -10.465 21.308 3.035 1108 HA3 GLY 148 3HA GLY 148 -10.741 22.055 4.601 1109 H LYS 149 H LYS 149 -9.195 24.064 4.911 1110 HA LYS 149 HA LYS 149 -10.091 26.070 3.223 1111 HB2 LYS 149 2HB LYS 149 -8.593 27.532 4.344 1112 HB3 LYS 149 3HB LYS 149 -9.083 26.328 5.529 1113 HG2 LYS 149 2HG LYS 149 -6.946 25.940 5.943 1114 HG3 LYS 149 3HG LYS 149 -6.780 25.305 4.304 1115 HD2 LYS 149 2HD LYS 149 -5.763 27.178 3.542 1116 HD3 LYS 149 3HD LYS 149 -6.734 28.245 4.559 1117 HE2 LYS 149 2HE LYS 149 -4.799 26.482 5.939 1118 HE3 LYS 149 3HE LYS 149 -4.125 27.793 4.972 1119 HZ1 LYS 149 1HZ LYS 149 -4.949 28.039 7.516 1120 HZ2 LYS 149 2HZ LYS 149 -6.318 28.573 6.678 1121 HZ3 LYS 149 3HZ LYS 149 -4.825 29.325 6.423 Start of MODEL 20 1 H1 MET 1 H MET 1 -1.568 0.767 -3.781 2 HA MET 1 HA MET 1 0.772 0.112 -5.308 3 HB2 MET 1 2HB MET 1 -1.824 1.478 -5.850 4 HB3 MET 1 3HB MET 1 -0.493 1.748 -6.967 5 HG2 MET 1 2HG MET 1 -0.307 -0.663 -7.324 6 HG3 MET 1 3HG MET 1 -1.648 -0.926 -6.212 7 HE1 MET 1 1HE MET 1 -3.940 -0.813 -6.663 8 HE2 MET 1 2HE MET 1 -4.078 0.925 -6.926 9 HE3 MET 1 3HE MET 1 -4.755 -0.201 -8.103 10 H ALA 2 H ALA 2 -0.784 3.291 -4.917 11 HA ALA 2 HA ALA 2 1.893 4.459 -4.532 12 HB1 ALA 2 1HB ALA 2 0.073 4.913 -6.681 13 HB2 ALA 2 2HB ALA 2 0.247 6.400 -5.749 14 HB3 ALA 2 3HB ALA 2 1.673 5.606 -6.417 15 H ALA 3 H ALA 3 2.048 6.209 -3.134 16 HA ALA 3 HA ALA 3 -0.303 6.614 -1.411 17 HB1 ALA 3 1HB ALA 3 1.937 7.656 -0.110 18 HB2 ALA 3 2HB ALA 3 1.100 6.143 0.245 19 HB3 ALA 3 3HB ALA 3 2.482 6.150 -0.851 20 H LEU 4 H LEU 4 -0.667 8.753 -0.541 21 HA LEU 4 HA LEU 4 -0.625 10.763 -2.507 22 HB2 LEU 4 2HB LEU 4 -1.367 12.260 -0.657 23 HB3 LEU 4 3HB LEU 4 -2.333 10.800 -0.860 24 HG LEU 4 HG LEU 4 -0.545 10.014 1.043 25 HD11 LEU 4 1HD1 LEU 4 0.061 12.593 0.980 26 HD12 LEU 4 2HD1 LEU 4 0.040 11.672 2.483 27 HD13 LEU 4 3HD1 LEU 4 -1.336 12.688 2.053 28 HD21 LEU 4 1HD2 LEU 4 -2.398 10.285 2.613 29 HD22 LEU 4 2HD2 LEU 4 -2.957 9.652 1.065 30 HD23 LEU 4 3HD2 LEU 4 -3.217 11.349 1.470 31 H THR 5 H THR 5 1.282 10.382 0.470 32 HA THR 5 HA THR 5 2.776 12.698 0.371 33 HB THR 5 HB THR 5 4.538 10.609 1.174 34 HG1 THR 5 HG1 THR 5 3.044 9.127 1.583 35 HG21 THR 5 1HG2 THR 5 2.810 12.350 2.927 36 HG22 THR 5 2HG2 THR 5 4.255 12.936 2.102 37 HG23 THR 5 3HG2 THR 5 4.385 11.657 3.309 38 H ASP 6 H ASP 6 3.319 9.652 -1.335 39 HA ASP 6 HA ASP 6 5.839 10.254 -2.412 40 HB2 ASP 6 2HB ASP 6 4.808 7.993 -2.409 41 HB3 ASP 6 3HB ASP 6 3.676 8.536 -3.644 42 H GLU 7 H GLU 7 2.579 10.750 -3.731 43 HA GLU 7 HA GLU 7 3.397 11.850 -6.191 44 HB2 GLU 7 2HB GLU 7 1.122 11.000 -5.764 45 HB3 GLU 7 3HB GLU 7 0.835 12.341 -4.664 46 HG2 GLU 7 2HG GLU 7 1.725 13.386 -7.155 47 HG3 GLU 7 3HG GLU 7 0.422 12.237 -7.452 48 H GLN 8 H GLN 8 2.899 13.252 -3.021 49 HA GLN 8 HA GLN 8 2.898 15.967 -3.807 50 HB2 GLN 8 2HB GLN 8 2.280 14.819 -1.524 51 HB3 GLN 8 3HB GLN 8 3.975 15.106 -1.153 52 HG2 GLN 8 2HG GLN 8 3.030 17.517 -2.188 53 HG3 GLN 8 3HG GLN 8 1.757 16.931 -1.120 54 HE21 GLN 8 1HE2 GLN 8 2.504 16.199 1.051 55 HE22 GLN 8 2HE2 GLN 8 3.744 17.124 1.819 56 H ILE 9 H ILE 9 5.494 13.945 -2.434 57 HA ILE 9 HA ILE 9 7.522 15.880 -2.673 58 HB ILE 9 HB ILE 9 9.106 13.987 -2.463 59 HG12 ILE 9 2HG1 ILE 9 6.593 12.303 -2.548 60 HG13 ILE 9 3HG1 ILE 9 7.855 12.333 -3.775 61 HG21 ILE 9 1HG2 ILE 9 8.354 13.256 -0.237 62 HG22 ILE 9 2HG2 ILE 9 8.165 14.993 -0.471 63 HG23 ILE 9 3HG2 ILE 9 6.760 13.932 -0.569 64 HD11 ILE 9 1HD1 ILE 9 7.966 11.220 -1.000 65 HD12 ILE 9 2HD1 ILE 9 8.282 10.411 -2.536 66 HD13 ILE 9 3HD1 ILE 9 9.430 11.594 -1.909 67 H ARG 10 H ARG 10 6.244 13.519 -4.920 68 HA ARG 10 HA ARG 10 8.335 13.645 -6.821 69 HB2 ARG 10 2HB ARG 10 6.700 11.821 -6.789 70 HB3 ARG 10 3HB ARG 10 5.417 12.951 -7.201 71 HG2 ARG 10 2HG ARG 10 5.967 11.848 -9.199 72 HG3 ARG 10 3HG ARG 10 6.711 13.443 -9.317 73 HD2 ARG 10 2HD ARG 10 8.806 12.292 -8.353 74 HD3 ARG 10 3HD ARG 10 8.007 10.788 -8.810 75 HE ARG 10 HE ARG 10 8.065 12.633 -10.973 76 HH11 ARG 10 1HH1 ARG 10 10.025 10.369 -9.196 77 HH12 ARG 10 2HH1 ARG 10 11.089 10.047 -10.525 78 HH21 ARG 10 1HH2 ARG 10 9.459 12.217 -12.730 79 HH22 ARG 10 2HH2 ARG 10 10.767 11.099 -12.534 80 H GLU 11 H GLU 11 5.213 15.330 -6.596 81 HA GLU 11 HA GLU 11 5.559 16.849 -8.962 82 HB2 GLU 11 2HB GLU 11 3.718 16.949 -6.617 83 HB3 GLU 11 3HB GLU 11 3.813 18.363 -7.657 84 HG2 GLU 11 2HG GLU 11 3.554 16.308 -9.454 85 HG3 GLU 11 3HG GLU 11 2.538 15.789 -8.111 86 H ALA 12 H ALA 12 6.434 17.368 -5.606 87 HA ALA 12 HA ALA 12 7.068 20.117 -5.806 88 HB1 ALA 12 1HB ALA 12 6.691 18.841 -3.682 89 HB2 ALA 12 2HB ALA 12 8.298 18.143 -3.893 90 HB3 ALA 12 3HB ALA 12 8.113 19.884 -3.680 91 H PHE 13 H PHE 13 9.208 17.260 -5.753 92 HA PHE 13 HA PHE 13 11.567 18.669 -6.343 93 HB2 PHE 13 2HB PHE 13 11.724 16.469 -5.402 94 HB3 PHE 13 3HB PHE 13 10.820 15.769 -6.741 95 HD1 PHE 13 HD1 PHE 13 12.097 14.477 -8.126 96 HD2 PHE 13 HD2 PHE 13 13.826 17.961 -6.397 97 HE1 PHE 13 HE1 PHE 13 14.205 14.012 -9.306 98 HE2 PHE 13 HE2 PHE 13 15.936 17.502 -7.575 99 HZ PHE 13 HZ PHE 13 16.128 15.526 -9.033 100 H ASN 14 H ASN 14 9.049 17.358 -8.373 101 HA ASN 14 HA ASN 14 10.479 17.461 -10.825 102 HB2 ASN 14 2HB ASN 14 8.465 16.086 -10.552 103 HB3 ASN 14 3HB ASN 14 7.496 17.538 -10.317 104 HD21 ASN 14 1HD2 ASN 14 6.226 17.632 -12.038 105 HD22 ASN 14 2HD2 ASN 14 6.757 17.580 -13.681 106 H LEU 15 H LEU 15 8.289 19.710 -9.186 107 HA LEU 15 HA LEU 15 8.240 21.647 -11.247 108 HB2 LEU 15 2HB LEU 15 7.090 21.301 -8.696 109 HB3 LEU 15 3HB LEU 15 7.927 22.851 -8.669 110 HG LEU 15 HG LEU 15 5.642 23.229 -9.263 111 HD11 LEU 15 1HD1 LEU 15 6.822 23.431 -11.961 112 HD12 LEU 15 2HD1 LEU 15 7.715 24.205 -10.652 113 HD13 LEU 15 3HD1 LEU 15 6.040 24.659 -10.964 114 HD21 LEU 15 1HD2 LEU 15 5.645 21.782 -11.799 115 HD22 LEU 15 2HD2 LEU 15 4.399 21.894 -10.557 116 HD23 LEU 15 3HD2 LEU 15 5.715 20.732 -10.384 117 H PHE 16 H PHE 16 10.171 21.370 -8.279 118 HA PHE 16 HA PHE 16 11.616 23.759 -8.599 119 HB2 PHE 16 2HB PHE 16 12.367 21.199 -7.174 120 HB3 PHE 16 3HB PHE 16 13.257 22.712 -7.033 121 HD1 PHE 16 HD1 PHE 16 11.420 20.812 -5.107 122 HD2 PHE 16 HD2 PHE 16 11.129 24.691 -6.836 123 HE1 PHE 16 HE1 PHE 16 9.929 21.512 -3.279 124 HE2 PHE 16 HE2 PHE 16 9.639 25.397 -5.010 125 HZ PHE 16 HZ PHE 16 9.037 23.807 -3.228 126 H ASP 17 H ASP 17 12.272 20.454 -9.673 127 HA ASP 17 HA ASP 17 14.823 21.093 -10.803 128 HB2 ASP 17 2HB ASP 17 14.081 18.802 -10.007 129 HB3 ASP 17 3HB ASP 17 13.101 18.704 -11.467 130 H ALA 18 H ALA 18 11.543 21.221 -11.891 131 HA ALA 18 HA ALA 18 11.775 21.012 -14.631 132 HB1 ALA 18 1HB ALA 18 9.780 22.382 -14.787 133 HB2 ALA 18 2HB ALA 18 9.642 21.258 -13.435 134 HB3 ALA 18 3HB ALA 18 10.018 22.955 -13.136 135 H ASP 19 H ASP 19 12.773 23.614 -12.535 136 HA ASP 19 HA ASP 19 12.993 25.714 -14.334 137 HB2 ASP 19 2HB ASP 19 13.468 25.571 -11.755 138 HB3 ASP 19 3HB ASP 19 15.125 25.283 -12.276 139 H GLY 20 H GLY 20 14.924 22.848 -14.013 140 HA2 GLY 20 2HA GLY 20 16.359 21.990 -15.651 141 HA3 GLY 20 3HA GLY 20 16.364 23.562 -16.438 142 H SER 21 H SER 21 16.997 23.210 -13.025 143 HA SER 21 HA SER 21 19.773 24.048 -13.523 144 HB2 SER 21 2HB SER 21 17.790 25.123 -11.841 145 HB3 SER 21 3HB SER 21 18.952 24.340 -10.770 146 HG SER 21 HG SER 21 19.308 26.490 -12.528 147 H GLY 22 H GLY 22 21.462 23.165 -12.224 148 HA2 GLY 22 2HA GLY 22 21.226 20.354 -11.835 149 HA3 GLY 22 3HA GLY 22 22.621 21.343 -11.429 150 H ALA 23 H ALA 23 20.624 23.037 -9.792 151 HA ALA 23 HA ALA 23 20.067 21.229 -7.580 152 HB1 ALA 23 1HB ALA 23 21.654 21.922 -6.171 153 HB2 ALA 23 2HB ALA 23 22.468 22.559 -7.600 154 HB3 ALA 23 3HB ALA 23 21.444 23.613 -6.626 155 H ILE 24 H ILE 24 18.957 22.426 -5.760 156 HA ILE 24 HA ILE 24 17.229 24.525 -6.897 157 HB ILE 24 HB ILE 24 16.513 22.665 -4.633 158 HG12 ILE 24 2HG1 ILE 24 16.859 21.370 -6.687 159 HG13 ILE 24 3HG1 ILE 24 15.152 21.432 -6.266 160 HG21 ILE 24 1HG2 ILE 24 15.204 24.629 -4.532 161 HG22 ILE 24 2HG2 ILE 24 14.966 24.649 -6.279 162 HG23 ILE 24 3HG2 ILE 24 14.188 23.407 -5.297 163 HD11 ILE 24 1HD1 ILE 24 14.944 23.326 -7.915 164 HD12 ILE 24 2HD1 ILE 24 16.576 22.918 -8.447 165 HD13 ILE 24 3HD1 ILE 24 15.279 21.733 -8.594 166 H ASP 25 H ASP 25 17.311 26.468 -5.992 167 HA ASP 25 HA ASP 25 18.768 26.793 -3.478 168 HB2 ASP 25 2HB ASP 25 17.762 29.075 -5.147 169 HB3 ASP 25 3HB ASP 25 19.179 29.003 -4.103 170 H ALA 26 H ALA 26 17.890 28.758 -2.140 171 HA ALA 26 HA ALA 26 15.334 27.967 -1.149 172 HB1 ALA 26 1HB ALA 26 17.360 30.016 -0.414 173 HB2 ALA 26 2HB ALA 26 15.719 30.193 0.211 174 HB3 ALA 26 3HB ALA 26 16.644 28.732 0.560 175 H GLU 27 H GLU 27 16.524 30.726 -3.015 176 HA GLU 27 HA GLU 27 14.228 32.301 -2.986 177 HB2 GLU 27 2HB GLU 27 15.086 33.261 -5.112 178 HB3 GLU 27 3HB GLU 27 16.304 33.168 -3.848 179 HG2 GLU 27 2HG GLU 27 17.003 30.965 -4.933 180 HG3 GLU 27 3HG GLU 27 16.030 31.483 -6.308 181 H GLU 28 H GLU 28 15.130 29.638 -5.134 182 HA GLU 28 HA GLU 28 12.928 29.873 -6.886 183 HB2 GLU 28 2HB GLU 28 15.053 28.578 -7.307 184 HB3 GLU 28 3HB GLU 28 14.429 27.338 -6.228 185 HG2 GLU 28 2HG GLU 28 14.032 26.730 -8.529 186 HG3 GLU 28 3HG GLU 28 12.503 27.027 -7.702 187 H MET 29 H MET 29 13.431 28.051 -3.904 188 HA MET 29 HA MET 29 11.065 26.535 -3.987 189 HB2 MET 29 2HB MET 29 13.223 26.637 -2.330 190 HB3 MET 29 3HB MET 29 11.991 27.381 -1.319 191 HG2 MET 29 2HG MET 29 10.549 25.405 -1.707 192 HG3 MET 29 3HG MET 29 11.879 24.657 -2.590 193 HE1 MET 29 1HE MET 29 13.824 22.951 -0.702 194 HE2 MET 29 2HE MET 29 12.307 22.351 -0.031 195 HE3 MET 29 3HE MET 29 12.387 22.854 -1.720 196 H ALA 30 H ALA 30 11.775 29.651 -2.428 197 HA ALA 30 HA ALA 30 9.209 30.048 -1.338 198 HB1 ALA 30 1HB ALA 30 10.467 32.543 -2.006 199 HB2 ALA 30 2HB ALA 30 10.199 31.812 -0.423 200 HB3 ALA 30 3HB ALA 30 11.651 31.417 -1.342 201 H LEU 31 H LEU 31 10.639 30.988 -4.433 202 HA LEU 31 HA LEU 31 8.557 32.612 -5.361 203 HB2 LEU 31 2HB LEU 31 10.985 31.728 -6.327 204 HB3 LEU 31 3HB LEU 31 9.820 31.015 -7.441 205 HG LEU 31 HG LEU 31 10.669 33.138 -8.282 206 HD11 LEU 31 1HD1 LEU 31 8.214 32.336 -8.516 207 HD12 LEU 31 2HD1 LEU 31 8.641 33.977 -9.001 208 HD13 LEU 31 3HD1 LEU 31 7.853 33.693 -7.449 209 HD21 LEU 31 1HD2 LEU 31 11.127 34.785 -6.868 210 HD22 LEU 31 2HD2 LEU 31 10.287 33.952 -5.559 211 HD23 LEU 31 3HD2 LEU 31 9.394 35.024 -6.639 212 H ALA 32 H ALA 32 9.131 29.136 -5.849 213 HA ALA 32 HA ALA 32 6.860 28.633 -7.417 214 HB1 ALA 32 1HB ALA 32 7.824 26.640 -7.530 215 HB2 ALA 32 2HB ALA 32 8.959 27.120 -6.268 216 HB3 ALA 32 3HB ALA 32 7.437 26.342 -5.836 217 H MET 33 H MET 33 7.353 28.279 -3.908 218 HA MET 33 HA MET 33 4.841 27.321 -3.231 219 HB2 MET 33 2HB MET 33 7.092 28.507 -1.852 220 HB3 MET 33 3HB MET 33 5.573 29.035 -1.140 221 HG2 MET 33 2HG MET 33 4.930 26.845 -0.613 222 HG3 MET 33 3HG MET 33 6.146 26.144 -1.677 223 HE1 MET 33 1HE MET 33 9.339 26.149 0.077 224 HE2 MET 33 2HE MET 33 8.503 26.383 -1.458 225 HE3 MET 33 3HE MET 33 9.062 27.779 -0.535 226 H LYS 34 H LYS 34 5.931 30.662 -3.644 227 HA LYS 34 HA LYS 34 3.529 31.893 -2.812 228 HB2 LYS 34 2HB LYS 34 5.719 33.054 -2.994 229 HB3 LYS 34 3HB LYS 34 5.598 32.952 -4.746 230 HG2 LYS 34 2HG LYS 34 3.254 34.142 -4.194 231 HG3 LYS 34 3HG LYS 34 4.229 34.743 -2.851 232 HD2 LYS 34 2HD LYS 34 5.177 34.861 -5.702 233 HD3 LYS 34 3HD LYS 34 4.202 36.143 -4.980 234 HE2 LYS 34 2HE LYS 34 6.245 35.601 -3.140 235 HE3 LYS 34 3HE LYS 34 7.020 35.621 -4.724 236 HZ1 LYS 34 1HZ LYS 34 6.088 37.795 -3.181 237 HZ2 LYS 34 2HZ LYS 34 5.278 37.774 -4.666 238 HZ3 LYS 34 3HZ LYS 34 6.969 37.819 -4.626 239 H GLY 35 H GLY 35 4.771 31.074 -6.046 240 HA2 GLY 35 2HA GLY 35 2.648 32.090 -7.546 241 HA3 GLY 35 3HA GLY 35 3.687 30.763 -8.044 242 H LEU 36 H LEU 36 2.970 28.999 -5.887 243 HA LEU 36 HA LEU 36 0.556 27.924 -7.020 244 HB2 LEU 36 2HB LEU 36 2.125 26.968 -4.632 245 HB3 LEU 36 3HB LEU 36 0.910 26.056 -5.525 246 HG LEU 36 HG LEU 36 3.253 27.012 -7.063 247 HD11 LEU 36 1HD1 LEU 36 4.282 26.267 -4.968 248 HD12 LEU 36 2HD1 LEU 36 4.657 25.180 -6.305 249 HD13 LEU 36 3HD1 LEU 36 3.443 24.721 -5.110 250 HD21 LEU 36 1HD2 LEU 36 1.268 24.837 -7.106 251 HD22 LEU 36 2HD2 LEU 36 2.892 24.400 -7.637 252 HD23 LEU 36 3HD2 LEU 36 2.026 25.714 -8.436 253 H GLY 37 H GLY 37 1.414 29.809 -4.242 254 HA2 GLY 37 2HA GLY 37 0.106 30.844 -2.661 255 HA3 GLY 37 3HA GLY 37 -1.286 30.428 -3.651 256 H PHE 38 H PHE 38 0.752 27.849 -2.639 257 HA PHE 38 HA PHE 38 -1.018 27.226 -0.385 258 HB2 PHE 38 2HB PHE 38 -0.557 25.582 -2.838 259 HB3 PHE 38 3HB PHE 38 -0.786 24.759 -1.299 260 HD1 PHE 38 HD1 PHE 38 -2.868 25.581 0.086 261 HD2 PHE 38 HD2 PHE 38 -2.402 26.059 -4.117 262 HE1 PHE 38 HE1 PHE 38 -5.306 25.808 -0.155 263 HE2 PHE 38 HE2 PHE 38 -4.839 26.287 -4.365 264 HZ PHE 38 HZ PHE 38 -6.295 26.162 -2.382 265 H GLY 39 H GLY 39 -0.062 26.150 1.303 266 HA2 GLY 39 2HA GLY 39 1.638 25.397 2.649 267 HA3 GLY 39 3HA GLY 39 2.344 24.711 1.193 268 H ASP 40 H ASP 40 1.745 28.107 2.023 269 HA ASP 40 HA ASP 40 4.446 28.784 1.254 270 HB2 ASP 40 2HB ASP 40 1.999 30.135 1.284 271 HB3 ASP 40 3HB ASP 40 2.970 30.939 2.515 272 H LEU 41 H LEU 41 6.055 28.443 2.636 273 HA LEU 41 HA LEU 41 5.570 28.807 5.509 274 HB2 LEU 41 2HB LEU 41 7.527 27.208 3.921 275 HB3 LEU 41 3HB LEU 41 7.936 27.693 5.565 276 HG LEU 41 HG LEU 41 7.047 25.412 5.465 277 HD11 LEU 41 1HD1 LEU 41 6.723 26.745 7.483 278 HD12 LEU 41 2HD1 LEU 41 5.367 25.649 7.216 279 HD13 LEU 41 3HD1 LEU 41 5.202 27.363 6.837 280 HD21 LEU 41 1HD2 LEU 41 5.406 26.267 3.522 281 HD22 LEU 41 2HD2 LEU 41 4.303 26.346 4.896 282 HD23 LEU 41 3HD2 LEU 41 5.096 24.824 4.487 283 HA PRO 42 HA PRO 42 8.079 32.395 5.798 284 HB2 PRO 42 2HB PRO 42 9.373 32.002 8.152 285 HB3 PRO 42 3HB PRO 42 7.652 32.391 8.055 286 HG2 PRO 42 2HG PRO 42 8.975 29.732 8.434 287 HG3 PRO 42 3HG PRO 42 7.551 30.401 9.254 288 HD2 PRO 42 2HD PRO 42 7.361 28.620 7.223 289 HD3 PRO 42 3HD PRO 42 6.144 29.881 7.504 290 H ARG 43 H ARG 43 10.327 33.191 6.010 291 HA ARG 43 HA ARG 43 12.083 31.818 4.323 292 HB2 ARG 43 2HB ARG 43 13.776 33.476 5.059 293 HB3 ARG 43 3HB ARG 43 12.245 34.212 4.604 294 HG2 ARG 43 2HG ARG 43 12.516 35.345 6.520 295 HG3 ARG 43 3HG ARG 43 11.854 33.881 7.251 296 HD2 ARG 43 2HD ARG 43 14.516 33.279 7.036 297 HD3 ARG 43 3HD ARG 43 14.549 35.005 7.393 298 HE ARG 43 HE ARG 43 12.789 33.599 9.136 299 HH11 ARG 43 1HH1 ARG 43 16.142 34.324 8.540 300 HH12 ARG 43 2HH1 ARG 43 16.613 34.130 10.196 301 HH21 ARG 43 1HH2 ARG 43 13.398 33.341 11.319 302 HH22 ARG 43 2HH2 ARG 43 15.052 33.570 11.776 303 H ASP 44 H ASP 44 11.855 31.920 7.836 304 HA ASP 44 HA ASP 44 14.266 30.681 8.487 305 HB2 ASP 44 2HB ASP 44 13.291 30.194 10.624 306 HB3 ASP 44 3HB ASP 44 12.661 31.752 10.095 307 H GLU 45 H GLU 45 11.182 29.309 7.489 308 HA GLU 45 HA GLU 45 11.833 26.607 8.047 309 HB2 GLU 45 2HB GLU 45 9.526 27.720 7.552 310 HB3 GLU 45 3HB GLU 45 9.930 27.404 5.871 311 HG2 GLU 45 2HG GLU 45 10.136 25.182 7.836 312 HG3 GLU 45 3HG GLU 45 8.542 25.689 7.278 313 H VAL 46 H VAL 46 12.327 28.696 5.275 314 HA VAL 46 HA VAL 46 13.083 26.651 3.450 315 HB VAL 46 HB VAL 46 13.903 29.554 3.349 316 HG11 VAL 46 1HG1 VAL 46 13.610 27.439 1.219 317 HG12 VAL 46 2HG1 VAL 46 13.931 29.147 0.908 318 HG13 VAL 46 3HG1 VAL 46 15.111 28.172 1.785 319 HG21 VAL 46 1HG2 VAL 46 11.285 28.330 3.099 320 HG22 VAL 46 2HG2 VAL 46 11.729 30.034 3.201 321 HG23 VAL 46 3HG2 VAL 46 11.750 29.209 1.642 322 H GLU 47 H GLU 47 14.951 28.922 5.451 323 HA GLU 47 HA GLU 47 17.494 28.007 4.637 324 HB2 GLU 47 2HB GLU 47 18.316 29.157 6.681 325 HB3 GLU 47 3HB GLU 47 17.264 30.161 5.694 326 HG2 GLU 47 2HG GLU 47 15.392 29.625 7.215 327 HG3 GLU 47 3HG GLU 47 16.519 28.730 8.234 328 H ARG 48 H ARG 48 15.350 27.064 7.276 329 HA ARG 48 HA ARG 48 17.175 25.335 8.575 330 HB2 ARG 48 2HB ARG 48 15.113 26.257 9.621 331 HB3 ARG 48 3HB ARG 48 14.155 25.207 8.585 332 HG2 ARG 48 2HG ARG 48 15.534 23.294 9.629 333 HG3 ARG 48 3HG ARG 48 15.937 24.481 10.872 334 HD2 ARG 48 2HD ARG 48 13.154 24.647 10.442 335 HD3 ARG 48 3HD ARG 48 13.553 22.934 10.556 336 HE ARG 48 HE ARG 48 14.046 23.225 12.778 337 HH11 ARG 48 1HH1 ARG 48 13.791 26.332 11.229 338 HH12 ARG 48 2HH1 ARG 48 13.850 27.223 12.714 339 HH21 ARG 48 1HH2 ARG 48 14.125 24.386 14.739 340 HH22 ARG 48 2HH2 ARG 48 14.041 26.115 14.710 341 H THR 49 H THR 49 14.643 24.776 6.157 342 HA THR 49 HA THR 49 14.858 21.981 6.041 343 HB THR 49 HB THR 49 13.913 22.257 3.693 344 HG1 THR 49 HG1 THR 49 13.693 24.987 4.467 345 HG21 THR 49 1HG2 THR 49 12.095 21.931 4.960 346 HG22 THR 49 2HG2 THR 49 11.880 23.681 4.904 347 HG23 THR 49 3HG2 THR 49 12.725 22.940 6.262 348 H VAL 50 H VAL 50 16.409 24.494 4.056 349 HA VAL 50 HA VAL 50 17.864 22.746 2.401 350 HB VAL 50 HB VAL 50 18.541 25.580 3.201 351 HG11 VAL 50 1HG1 VAL 50 19.616 25.359 0.786 352 HG12 VAL 50 2HG1 VAL 50 20.507 24.929 2.248 353 HG13 VAL 50 3HG1 VAL 50 19.746 23.670 1.274 354 HG21 VAL 50 1HG2 VAL 50 17.463 25.084 0.532 355 HG22 VAL 50 2HG2 VAL 50 16.333 24.705 1.833 356 HG23 VAL 50 3HG2 VAL 50 17.035 26.319 1.716 357 H ARG 51 H ARG 51 18.664 24.288 5.480 358 HA ARG 51 HA ARG 51 21.364 23.526 5.593 359 HB2 ARG 51 2HB ARG 51 20.081 25.188 7.078 360 HB3 ARG 51 3HB ARG 51 19.596 23.782 8.016 361 HG2 ARG 51 2HG ARG 51 22.440 23.776 7.561 362 HG3 ARG 51 3HG ARG 51 21.917 25.288 8.306 363 HD2 ARG 51 2HD ARG 51 20.813 22.763 9.402 364 HD3 ARG 51 3HD ARG 51 22.508 23.119 9.731 365 HE ARG 51 HE ARG 51 20.907 25.378 10.294 366 HH11 ARG 51 1HH1 ARG 51 21.704 22.219 11.521 367 HH12 ARG 51 2HH1 ARG 51 21.383 22.636 13.172 368 HH21 ARG 51 1HH2 ARG 51 20.481 25.939 12.464 369 HH22 ARG 51 2HH2 ARG 51 20.686 24.752 13.707 370 H SER 52 H SER 52 18.422 21.901 6.698 371 HA SER 52 HA SER 52 19.711 19.734 7.974 372 HB2 SER 52 2HB SER 52 17.105 20.602 7.740 373 HB3 SER 52 3HB SER 52 17.098 19.108 6.803 374 HG SER 52 HG SER 52 17.170 19.437 9.474 375 H MET 53 H MET 53 18.286 20.058 4.731 376 HA MET 53 HA MET 53 18.871 17.463 3.844 377 HB2 MET 53 2HB MET 53 18.678 19.986 2.189 378 HB3 MET 53 3HB MET 53 18.530 18.340 1.589 379 HG2 MET 53 2HG MET 53 16.440 18.048 2.498 380 HG3 MET 53 3HG MET 53 16.687 19.285 3.728 381 HE1 MET 53 1HE MET 53 14.207 18.817 2.329 382 HE2 MET 53 2HE MET 53 13.634 20.201 1.398 383 HE3 MET 53 3HE MET 53 14.396 18.839 0.575 384 H ASN 54 H ASN 54 20.528 20.422 2.741 385 HA ASN 54 HA ASN 54 22.904 18.846 2.158 386 HB2 ASN 54 2HB ASN 54 22.081 20.478 0.495 387 HB3 ASN 54 3HB ASN 54 22.345 21.778 1.654 388 HD21 ASN 54 1HD2 ASN 54 23.555 22.150 -0.614 389 HD22 ASN 54 2HD2 ASN 54 25.247 21.811 -0.529 390 H THR 55 H THR 55 24.052 18.421 3.958 391 HA THR 55 HA THR 55 24.248 19.910 6.271 392 HB THR 55 HB THR 55 25.098 17.623 6.115 393 HG1 THR 55 HG1 THR 55 26.036 19.382 7.589 394 HG21 THR 55 1HG2 THR 55 26.261 18.315 3.801 395 HG22 THR 55 2HG2 THR 55 26.795 16.939 4.767 396 HG23 THR 55 3HG2 THR 55 27.648 18.478 4.877 397 H ASN 56 H ASN 56 25.896 20.356 3.228 398 HA ASN 56 HA ASN 56 27.482 22.539 4.399 399 HB2 ASN 56 2HB ASN 56 27.866 20.881 1.908 400 HB3 ASN 56 3HB ASN 56 28.759 22.372 2.192 401 HD21 ASN 56 1HD2 ASN 56 29.852 19.761 1.902 402 HD22 ASN 56 2HD2 ASN 56 30.656 19.370 3.380 403 H ALA 57 H ALA 57 26.183 24.299 4.328 404 HA ALA 57 HA ALA 57 24.314 24.886 2.313 405 HB1 ALA 57 1HB ALA 57 24.147 27.065 3.305 406 HB2 ALA 57 2HB ALA 57 24.319 25.872 4.593 407 HB3 ALA 57 3HB ALA 57 25.699 26.863 4.118 408 H ASN 58 H ASN 58 25.021 24.908 0.241 409 HA ASN 58 HA ASN 58 27.118 26.867 -0.424 410 HB2 ASN 58 2HB ASN 58 27.720 24.370 -0.683 411 HB3 ASN 58 3HB ASN 58 26.623 24.390 -2.060 412 HD21 ASN 58 1HD2 ASN 58 28.765 23.732 -3.031 413 HD22 ASN 58 2HD2 ASN 58 29.754 25.006 -3.650 414 H GLY 59 H GLY 59 23.993 26.625 -0.439 415 HA2 GLY 59 2HA GLY 59 22.383 27.773 -1.632 416 HA3 GLY 59 3HA GLY 59 23.645 28.315 -2.728 417 H LEU 60 H LEU 60 23.430 24.932 -2.203 418 HA LEU 60 HA LEU 60 21.743 24.534 -4.557 419 HB2 LEU 60 2HB LEU 60 24.613 23.733 -4.288 420 HB3 LEU 60 3HB LEU 60 23.512 22.777 -5.278 421 HG LEU 60 HG LEU 60 23.018 25.083 -6.421 422 HD11 LEU 60 1HD1 LEU 60 25.392 25.616 -4.762 423 HD12 LEU 60 2HD1 LEU 60 24.178 26.722 -5.402 424 HD13 LEU 60 3HD1 LEU 60 25.487 26.156 -6.439 425 HD21 LEU 60 1HD2 LEU 60 24.859 22.942 -6.893 426 HD22 LEU 60 2HD2 LEU 60 25.544 24.454 -7.489 427 HD23 LEU 60 3HD2 LEU 60 23.962 23.918 -8.056 428 H ILE 61 H ILE 61 20.677 22.572 -4.613 429 HA ILE 61 HA ILE 61 21.050 20.848 -2.250 430 HB ILE 61 HB ILE 61 18.459 21.462 -3.677 431 HG12 ILE 61 2HG1 ILE 61 19.262 22.153 -0.848 432 HG13 ILE 61 3HG1 ILE 61 19.427 23.272 -2.196 433 HG21 ILE 61 1HG2 ILE 61 19.100 19.646 -1.365 434 HG22 ILE 61 2HG2 ILE 61 17.467 20.186 -1.751 435 HG23 ILE 61 3HG2 ILE 61 18.373 19.216 -2.913 436 HD11 ILE 61 1HD1 ILE 61 17.371 23.949 -1.733 437 HD12 ILE 61 2HD1 ILE 61 16.804 22.395 -2.346 438 HD13 ILE 61 3HD1 ILE 61 17.106 22.606 -0.622 439 H GLU 62 H GLU 62 21.394 18.746 -2.613 440 HA GLU 62 HA GLU 62 21.346 17.806 -5.378 441 HB2 GLU 62 2HB GLU 62 22.659 16.817 -2.863 442 HB3 GLU 62 3HB GLU 62 22.512 15.777 -4.272 443 HG2 GLU 62 2HG GLU 62 23.742 18.499 -4.468 444 HG3 GLU 62 3HG GLU 62 24.679 17.097 -3.956 445 H TYR 63 H TYR 63 20.296 15.906 -6.017 446 HA TYR 63 HA TYR 63 17.742 15.484 -5.001 447 HB2 TYR 63 2HB TYR 63 17.706 13.453 -6.410 448 HB3 TYR 63 3HB TYR 63 18.350 14.847 -7.270 449 HD1 TYR 63 HD1 TYR 63 19.120 11.567 -5.853 450 HD2 TYR 63 HD2 TYR 63 20.713 14.960 -7.866 451 HE1 TYR 63 HE1 TYR 63 21.136 10.277 -6.418 452 HE2 TYR 63 HE2 TYR 63 22.733 13.680 -8.438 453 HH TYR 63 HH TYR 63 23.752 11.118 -7.007 454 H GLY 64 H GLY 64 20.772 13.818 -4.305 455 HA2 GLY 64 2HA GLY 64 19.743 11.649 -2.859 456 HA3 GLY 64 3HA GLY 64 21.348 12.335 -2.652 457 H GLU 65 H GLU 65 20.953 14.769 -1.627 458 HA GLU 65 HA GLU 65 20.271 14.225 1.066 459 HB2 GLU 65 2HB GLU 65 20.760 16.851 -0.347 460 HB3 GLU 65 3HB GLU 65 20.602 16.674 1.395 461 HG2 GLU 65 2HG GLU 65 22.690 15.262 -0.242 462 HG3 GLU 65 3HG GLU 65 22.945 16.816 0.550 463 H PHE 66 H PHE 66 18.517 15.572 -1.628 464 HA PHE 66 HA PHE 66 16.431 16.823 -0.219 465 HB2 PHE 66 2HB PHE 66 16.711 17.302 -2.550 466 HB3 PHE 66 3HB PHE 66 16.530 15.604 -2.980 467 HD1 PHE 66 HD1 PHE 66 14.805 18.678 -2.070 468 HD2 PHE 66 HD2 PHE 66 14.339 14.544 -2.972 469 HE1 PHE 66 HE1 PHE 66 12.390 19.024 -2.395 470 HE2 PHE 66 HE2 PHE 66 11.924 14.884 -3.298 471 HZ PHE 66 HZ PHE 66 10.947 17.126 -3.011 472 H GLU 67 H GLU 67 16.445 13.631 -1.817 473 HA GLU 67 HA GLU 67 13.975 12.811 -0.716 474 HB2 GLU 67 2HB GLU 67 14.530 10.601 -1.552 475 HB3 GLU 67 3HB GLU 67 14.959 11.815 -2.748 476 HG2 GLU 67 2HG GLU 67 17.302 11.679 -2.015 477 HG3 GLU 67 3HG GLU 67 16.851 10.411 -0.876 478 H ARG 68 H ARG 68 17.308 12.463 0.341 479 HA ARG 68 HA ARG 68 16.930 10.556 2.355 480 HB2 ARG 68 2HB ARG 68 19.135 11.358 1.470 481 HB3 ARG 68 3HB ARG 68 18.912 12.836 2.397 482 HG2 ARG 68 2HG ARG 68 18.536 10.596 4.122 483 HG3 ARG 68 3HG ARG 68 20.052 10.404 3.239 484 HD2 ARG 68 2HD ARG 68 20.285 12.976 3.897 485 HD3 ARG 68 3HD ARG 68 19.247 12.454 5.223 486 HE ARG 68 HE ARG 68 21.419 10.672 4.923 487 HH11 ARG 68 1HH1 ARG 68 20.649 13.875 6.049 488 HH12 ARG 68 2HH1 ARG 68 21.948 13.926 7.195 489 HH21 ARG 68 1HH2 ARG 68 23.132 10.727 6.428 490 HH22 ARG 68 2HH2 ARG 68 23.360 12.135 7.409 491 H MET 69 H MET 69 16.694 14.090 2.438 492 HA MET 69 HA MET 69 16.151 14.223 5.236 493 HB2 MET 69 2HB MET 69 17.099 16.135 4.079 494 HB3 MET 69 3HB MET 69 15.696 16.232 3.024 495 HG2 MET 69 2HG MET 69 15.642 17.933 4.767 496 HG3 MET 69 3HG MET 69 14.286 16.815 4.901 497 HE1 MET 69 1HE MET 69 17.900 17.046 5.675 498 HE2 MET 69 2HE MET 69 18.018 17.098 7.434 499 HE3 MET 69 3HE MET 69 17.953 15.545 6.600 500 H VAL 70 H VAL 70 14.109 14.537 2.336 501 HA VAL 70 HA VAL 70 11.666 14.971 3.545 502 HB VAL 70 HB VAL 70 12.195 13.319 1.071 503 HG11 VAL 70 1HG1 VAL 70 9.772 13.880 2.484 504 HG12 VAL 70 2HG1 VAL 70 9.734 14.675 0.909 505 HG13 VAL 70 3HG1 VAL 70 10.009 12.936 1.013 506 HG21 VAL 70 1HG2 VAL 70 11.189 16.041 0.757 507 HG22 VAL 70 2HG2 VAL 70 12.792 15.964 1.488 508 HG23 VAL 70 3HG2 VAL 70 12.502 15.214 -0.082 509 H LYS 71 H LYS 71 13.376 11.930 3.041 510 HA LYS 71 HA LYS 71 11.279 10.213 3.836 511 HB2 LYS 71 2HB LYS 71 13.372 9.552 2.592 512 HB3 LYS 71 3HB LYS 71 14.239 9.683 4.116 513 HG2 LYS 71 2HG LYS 71 11.848 8.009 4.255 514 HG3 LYS 71 3HG LYS 71 13.086 7.414 3.146 515 HD2 LYS 71 2HD LYS 71 13.676 8.248 5.979 516 HD3 LYS 71 3HD LYS 71 13.253 6.594 5.530 517 HE2 LYS 71 2HE LYS 71 15.165 6.627 3.924 518 HE3 LYS 71 3HE LYS 71 15.625 8.196 4.582 519 HZ1 LYS 71 1HZ LYS 71 16.919 6.706 5.764 520 HZ2 LYS 71 2HZ LYS 71 15.685 5.557 5.896 521 HZ3 LYS 71 3HZ LYS 71 15.623 6.974 6.817 522 H SER 72 H SER 72 13.689 12.016 5.611 523 HA SER 72 HA SER 72 13.298 10.653 8.095 524 HB2 SER 72 2HB SER 72 14.979 12.782 7.082 525 HB3 SER 72 3HB SER 72 14.316 13.203 8.660 526 HG SER 72 HG SER 72 16.285 12.028 8.813 527 H ARG 73 H ARG 73 12.398 13.922 6.984 528 HA ARG 73 HA ARG 73 10.830 14.600 9.192 529 HB2 ARG 73 2HB ARG 73 9.771 16.268 7.661 530 HB3 ARG 73 3HB ARG 73 11.529 16.303 7.653 531 HG2 ARG 73 2HG ARG 73 11.483 14.923 5.583 532 HG3 ARG 73 3HG ARG 73 9.727 15.099 5.568 533 HD2 ARG 73 2HD ARG 73 10.821 16.724 4.094 534 HD3 ARG 73 3HD ARG 73 9.948 17.512 5.408 535 HE ARG 73 HE ARG 73 12.614 17.149 6.190 536 HH11 ARG 73 1HH1 ARG 73 10.727 18.995 3.921 537 HH12 ARG 73 2HH1 ARG 73 11.836 20.325 3.881 538 HH21 ARG 73 1HH2 ARG 73 14.082 18.894 6.147 539 HH22 ARG 73 2HH2 ARG 73 13.745 20.267 5.147 540 H MET 74 H MET 74 9.916 13.082 6.119 541 HA MET 74 HA MET 74 7.145 12.957 6.660 542 HB2 MET 74 2HB MET 74 8.912 11.372 4.798 543 HB3 MET 74 3HB MET 74 7.166 11.171 4.864 544 HG2 MET 74 2HG MET 74 8.565 13.762 4.248 545 HG3 MET 74 3HG MET 74 7.935 12.646 3.039 546 HE1 MET 74 1HE MET 74 6.584 15.535 5.750 547 HE2 MET 74 2HE MET 74 7.660 15.661 4.358 548 HE3 MET 74 3HE MET 74 5.976 16.171 4.221 549 H ALA 75 H ALA 75 9.822 10.761 7.305 550 HA ALA 75 HA ALA 75 8.475 8.458 8.005 551 HB1 ALA 75 1HB ALA 75 11.090 9.622 8.595 552 HB2 ALA 75 2HB ALA 75 10.509 8.504 9.830 553 HB3 ALA 75 3HB ALA 75 10.654 7.971 8.155 554 H GLN 76 H GLN 76 8.772 11.452 9.771 555 HA GLN 76 HA GLN 76 7.850 10.397 12.270 556 HB2 GLN 76 2HB GLN 76 9.264 12.409 12.145 557 HB3 GLN 76 3HB GLN 76 7.976 13.257 11.300 558 HG2 GLN 76 2HG GLN 76 7.682 14.012 13.438 559 HG3 GLN 76 3HG GLN 76 6.571 12.643 13.404 560 HE21 GLN 76 1HE2 GLN 76 7.381 10.600 14.268 561 HE22 GLN 76 2HE2 GLN 76 8.488 10.638 15.593 562 H LYS 77 H LYS 77 6.378 12.128 9.565 563 HA LYS 77 HA LYS 77 3.781 12.175 10.839 564 HB2 LYS 77 2HB LYS 77 5.029 13.637 8.793 565 HB3 LYS 77 3HB LYS 77 3.726 12.754 8.008 566 HG2 LYS 77 2HG LYS 77 2.858 14.858 8.658 567 HG3 LYS 77 3HG LYS 77 2.180 13.657 9.760 568 HD2 LYS 77 2HD LYS 77 4.686 14.728 10.745 569 HD3 LYS 77 3HD LYS 77 3.497 16.002 10.459 570 HE2 LYS 77 2HE LYS 77 1.872 14.436 11.724 571 HE3 LYS 77 3HE LYS 77 3.338 13.642 12.298 572 HZ1 LYS 77 1HZ LYS 77 3.953 16.160 12.809 573 HZ2 LYS 77 2HZ LYS 77 3.136 15.179 13.918 574 HZ3 LYS 77 3HZ LYS 77 2.271 16.269 12.956 575 H ASP 78 H ASP 78 1.894 11.168 9.946 576 HA ASP 78 HA ASP 78 2.396 8.884 8.176 577 HB2 ASP 78 2HB ASP 78 1.550 8.790 10.994 578 HB3 ASP 78 3HB ASP 78 0.556 7.831 9.900 579 H SER 79 H SER 79 0.151 7.803 7.681 580 HA SER 79 HA SER 79 -1.351 9.618 6.205 581 HB2 SER 79 2HB SER 79 -1.587 6.787 6.963 582 HB3 SER 79 3HB SER 79 -3.130 7.573 6.628 583 HG SER 79 HG SER 79 -2.592 7.793 4.583 584 HA PRO 80 HA PRO 80 -4.222 11.507 8.930 585 HB2 PRO 80 2HB PRO 80 -6.502 11.530 7.457 586 HB3 PRO 80 3HB PRO 80 -5.117 12.569 7.099 587 HG2 PRO 80 2HG PRO 80 -5.922 9.980 5.828 588 HG3 PRO 80 3HG PRO 80 -5.335 11.468 5.062 589 HD2 PRO 80 2HD PRO 80 -3.739 9.324 5.495 590 HD3 PRO 80 3HD PRO 80 -3.131 10.992 5.536 591 H GLU 81 H GLU 81 -5.464 8.561 7.380 592 HA GLU 81 HA GLU 81 -7.434 8.104 9.415 593 HB2 GLU 81 2HB GLU 81 -6.437 6.557 7.047 594 HB3 GLU 81 3HB GLU 81 -7.457 5.771 8.243 595 HG2 GLU 81 2HG GLU 81 -8.678 8.231 7.586 596 HG3 GLU 81 3HG GLU 81 -8.208 7.451 6.077 597 H GLU 82 H GLU 82 -4.256 6.757 8.623 598 HA GLU 82 HA GLU 82 -4.172 4.716 10.514 599 HB2 GLU 82 2HB GLU 82 -2.140 6.311 9.044 600 HB3 GLU 82 3HB GLU 82 -1.585 5.401 10.441 601 HG2 GLU 82 2HG GLU 82 -3.043 3.517 9.172 602 HG3 GLU 82 3HG GLU 82 -2.469 4.467 7.803 603 H VAL 83 H VAL 83 -2.922 8.041 10.810 604 HA VAL 83 HA VAL 83 -2.102 7.865 13.477 605 HB VAL 83 HB VAL 83 -3.101 10.304 11.998 606 HG11 VAL 83 1HG1 VAL 83 -1.773 9.926 14.644 607 HG12 VAL 83 2HG1 VAL 83 -1.438 11.379 13.702 608 HG13 VAL 83 3HG1 VAL 83 -3.091 11.006 14.191 609 HG21 VAL 83 1HG2 VAL 83 -0.923 8.737 11.404 610 HG22 VAL 83 2HG2 VAL 83 -1.128 10.429 10.952 611 HG23 VAL 83 3HG2 VAL 83 -0.231 10.009 12.411 612 H LEU 84 H LEU 84 -5.247 8.526 12.071 613 HA LEU 84 HA LEU 84 -6.534 9.500 14.373 614 HB2 LEU 84 2HB LEU 84 -7.269 8.637 11.722 615 HB3 LEU 84 3HB LEU 84 -8.444 8.078 12.911 616 HG LEU 84 HG LEU 84 -7.597 10.958 12.732 617 HD11 LEU 84 1HD1 LEU 84 -8.828 9.636 10.669 618 HD12 LEU 84 2HD1 LEU 84 -8.926 11.367 10.987 619 HD13 LEU 84 3HD1 LEU 84 -10.189 10.289 11.580 620 HD21 LEU 84 1HD2 LEU 84 -8.681 10.441 14.779 621 HD22 LEU 84 2HD2 LEU 84 -9.922 9.490 13.961 622 HD23 LEU 84 3HD2 LEU 84 -9.875 11.243 13.759 623 H LYS 85 H LYS 85 -6.534 6.215 12.985 624 HA LYS 85 HA LYS 85 -7.966 4.998 15.067 625 HB2 LYS 85 2HB LYS 85 -7.681 3.913 12.913 626 HB3 LYS 85 3HB LYS 85 -5.941 3.822 13.155 627 HG2 LYS 85 2HG LYS 85 -7.362 2.577 15.336 628 HG3 LYS 85 3HG LYS 85 -7.826 1.882 13.781 629 HD2 LYS 85 2HD LYS 85 -4.943 2.309 14.493 630 HD3 LYS 85 3HD LYS 85 -5.812 0.868 15.026 631 HE2 LYS 85 2HE LYS 85 -5.880 1.685 12.150 632 HE3 LYS 85 3HE LYS 85 -4.479 0.827 12.790 633 HZ1 LYS 85 1HZ LYS 85 -6.780 -0.500 13.658 634 HZ2 LYS 85 2HZ LYS 85 -5.595 -1.056 12.586 635 HZ3 LYS 85 3HZ LYS 85 -6.948 -0.230 11.996 636 H ALA 86 H ALA 86 -4.486 5.420 14.570 637 HA ALA 86 HA ALA 86 -3.543 3.898 16.697 638 HB1 ALA 86 1HB ALA 86 -1.558 4.647 16.022 639 HB2 ALA 86 2HB ALA 86 -2.426 5.573 14.797 640 HB3 ALA 86 3HB ALA 86 -2.002 6.326 16.334 641 H PHE 87 H PHE 87 -4.212 7.403 16.654 642 HA PHE 87 HA PHE 87 -3.695 7.872 19.359 643 HB2 PHE 87 2HB PHE 87 -4.146 9.522 17.373 644 HB3 PHE 87 3HB PHE 87 -5.818 9.414 17.913 645 HD1 PHE 87 HD1 PHE 87 -2.460 9.808 19.502 646 HD2 PHE 87 HD2 PHE 87 -6.502 11.120 19.270 647 HE1 PHE 87 HE1 PHE 87 -2.005 11.501 21.228 648 HE2 PHE 87 HE2 PHE 87 -6.054 12.816 20.995 649 HZ PHE 87 HZ PHE 87 -3.803 13.009 21.975 650 H GLN 88 H GLN 88 -6.695 6.975 17.712 651 HA GLN 88 HA GLN 88 -8.464 7.223 19.841 652 HB2 GLN 88 2HB GLN 88 -9.045 6.742 17.439 653 HB3 GLN 88 3HB GLN 88 -8.576 5.071 17.726 654 HG2 GLN 88 2HG GLN 88 -10.365 5.719 19.776 655 HG3 GLN 88 3HG GLN 88 -11.052 6.396 18.300 656 HE21 GLN 88 1HE2 GLN 88 -9.301 3.441 19.210 657 HE22 GLN 88 2HE2 GLN 88 -10.396 2.352 18.437 658 H LEU 89 H LEU 89 -6.459 4.454 18.896 659 HA LEU 89 HA LEU 89 -7.394 2.724 20.935 660 HB2 LEU 89 2HB LEU 89 -6.349 1.780 19.018 661 HB3 LEU 89 3HB LEU 89 -4.890 2.738 19.266 662 HG LEU 89 HG LEU 89 -4.516 1.422 21.380 663 HD11 LEU 89 1HD1 LEU 89 -6.991 0.140 20.396 664 HD12 LEU 89 2HD1 LEU 89 -6.404 0.366 22.043 665 HD13 LEU 89 3HD1 LEU 89 -5.742 -0.925 21.041 666 HD21 LEU 89 1HD2 LEU 89 -4.490 0.139 18.665 667 HD22 LEU 89 2HD2 LEU 89 -3.830 -0.669 20.087 668 HD23 LEU 89 3HD2 LEU 89 -3.154 0.871 19.553 669 H PHE 90 H PHE 90 -4.520 4.794 20.673 670 HA PHE 90 HA PHE 90 -3.288 4.123 23.068 671 HB2 PHE 90 2HB PHE 90 -2.718 5.855 21.066 672 HB3 PHE 90 3HB PHE 90 -3.199 6.985 22.327 673 HD1 PHE 90 HD1 PHE 90 -1.892 7.232 24.344 674 HD2 PHE 90 HD2 PHE 90 -0.733 4.499 21.295 675 HE1 PHE 90 HE1 PHE 90 0.341 7.048 25.362 676 HE2 PHE 90 HE2 PHE 90 1.501 4.310 22.308 677 HZ PHE 90 HZ PHE 90 2.040 5.585 24.345 678 H ASP 91 H ASP 91 -5.982 6.279 22.445 679 HA ASP 91 HA ASP 91 -6.626 6.291 25.273 680 HB2 ASP 91 2HB ASP 91 -6.937 8.822 25.207 681 HB3 ASP 91 3HB ASP 91 -5.278 8.236 25.290 682 H LEU 92 H LEU 92 -8.703 5.791 25.373 683 HA LEU 92 HA LEU 92 -10.442 5.852 23.156 684 HB2 LEU 92 2HB LEU 92 -12.220 5.419 24.894 685 HB3 LEU 92 3HB LEU 92 -10.893 4.261 24.823 686 HG LEU 92 HG LEU 92 -10.391 6.367 26.755 687 HD11 LEU 92 1HD1 LEU 92 -12.111 6.039 28.273 688 HD12 LEU 92 2HD1 LEU 92 -12.660 4.559 27.487 689 HD13 LEU 92 3HD1 LEU 92 -12.961 6.123 26.730 690 HD21 LEU 92 1HD2 LEU 92 -10.458 3.368 26.716 691 HD22 LEU 92 2HD2 LEU 92 -10.202 4.267 28.212 692 HD23 LEU 92 3HD2 LEU 92 -9.069 4.444 26.870 693 H ASP 93 H ASP 93 -9.877 8.093 25.796 694 HA ASP 93 HA ASP 93 -12.037 9.828 24.854 695 HB2 ASP 93 2HB ASP 93 -10.766 9.348 27.407 696 HB3 ASP 93 3HB ASP 93 -10.738 11.064 27.011 697 H LYS 94 H LYS 94 -11.388 12.281 25.107 698 HA LYS 94 HA LYS 94 -8.811 12.677 23.733 699 HB2 LYS 94 2HB LYS 94 -9.970 14.609 22.559 700 HB3 LYS 94 3HB LYS 94 -10.445 12.993 22.052 701 HG2 LYS 94 2HG LYS 94 -12.046 14.240 24.201 702 HG3 LYS 94 3HG LYS 94 -12.201 14.924 22.581 703 HD2 LYS 94 2HD LYS 94 -13.326 13.139 21.813 704 HD3 LYS 94 3HD LYS 94 -12.270 11.998 22.648 705 HE2 LYS 94 2HE LYS 94 -13.461 12.551 24.764 706 HE3 LYS 94 3HE LYS 94 -14.580 13.538 23.826 707 HZ1 LYS 94 1HZ LYS 94 -15.369 11.245 24.309 708 HZ2 LYS 94 2HZ LYS 94 -14.128 10.650 23.326 709 HZ3 LYS 94 3HZ LYS 94 -15.337 11.629 22.661 710 H LYS 95 H LYS 95 -8.063 13.053 25.964 711 HA LYS 95 HA LYS 95 -9.013 15.324 27.419 712 HB2 LYS 95 2HB LYS 95 -7.006 14.940 28.838 713 HB3 LYS 95 3HB LYS 95 -7.996 13.502 28.627 714 HG2 LYS 95 2HG LYS 95 -6.162 13.354 26.562 715 HG3 LYS 95 3HG LYS 95 -5.227 13.967 27.928 716 HD2 LYS 95 2HD LYS 95 -7.074 11.696 28.429 717 HD3 LYS 95 3HD LYS 95 -5.601 11.366 27.516 718 HE2 LYS 95 2HE LYS 95 -4.237 11.814 29.293 719 HE3 LYS 95 3HE LYS 95 -5.364 12.964 30.009 720 HZ1 LYS 95 1HZ LYS 95 -5.967 10.073 29.923 721 HZ2 LYS 95 2HZ LYS 95 -6.633 11.261 30.927 722 HZ3 LYS 95 3HZ LYS 95 -5.043 10.740 31.174 723 H GLY 96 H GLY 96 -6.450 14.736 25.097 724 HA2 GLY 96 2HA GLY 96 -5.227 16.233 23.843 725 HA3 GLY 96 3HA GLY 96 -6.211 17.522 24.520 726 H LYS 97 H LYS 97 -4.734 15.504 26.833 727 HA LYS 97 HA LYS 97 -2.648 17.537 27.285 728 HB2 LYS 97 2HB LYS 97 -3.868 15.786 29.415 729 HB3 LYS 97 3HB LYS 97 -2.863 17.212 29.635 730 HG2 LYS 97 2HG LYS 97 -4.861 18.352 28.310 731 HG3 LYS 97 3HG LYS 97 -5.749 16.998 29.013 732 HD2 LYS 97 2HD LYS 97 -4.711 17.680 31.236 733 HD3 LYS 97 3HD LYS 97 -4.232 19.175 30.430 734 HE2 LYS 97 2HE LYS 97 -7.021 18.508 29.966 735 HE3 LYS 97 3HE LYS 97 -6.650 18.676 31.682 736 HZ1 LYS 97 1HZ LYS 97 -7.291 20.792 30.814 737 HZ2 LYS 97 2HZ LYS 97 -6.166 20.690 29.555 738 HZ3 LYS 97 3HZ LYS 97 -5.635 20.849 31.154 739 H ILE 98 H ILE 98 -0.855 16.652 26.416 740 HA ILE 98 HA ILE 98 -0.005 14.051 27.491 741 HB ILE 98 HB ILE 98 0.345 14.943 24.626 742 HG12 ILE 98 2HG1 ILE 98 -0.940 12.461 24.732 743 HG13 ILE 98 3HG1 ILE 98 -1.719 13.423 25.983 744 HG21 ILE 98 1HG2 ILE 98 2.279 13.731 25.223 745 HG22 ILE 98 2HG2 ILE 98 1.347 12.544 26.134 746 HG23 ILE 98 3HG2 ILE 98 1.240 12.587 24.374 747 HD11 ILE 98 1HD1 ILE 98 -2.992 14.245 24.365 748 HD12 ILE 98 2HD1 ILE 98 -1.570 15.141 23.829 749 HD13 ILE 98 3HD1 ILE 98 -1.952 13.579 23.106 750 H SER 99 H SER 99 1.941 14.108 28.402 751 HA SER 99 HA SER 99 3.460 16.504 28.495 752 HB2 SER 99 2HB SER 99 3.589 13.829 29.703 753 HB3 SER 99 3HB SER 99 5.166 14.573 29.440 754 HG SER 99 HG SER 99 4.300 15.147 31.469 755 H PHE 100 H PHE 100 5.190 17.156 27.356 756 HA PHE 100 HA PHE 100 5.758 16.121 24.842 757 HB2 PHE 100 2HB PHE 100 7.677 17.610 24.811 758 HB3 PHE 100 3HB PHE 100 6.316 18.421 25.579 759 HD1 PHE 100 HD1 PHE 100 6.323 18.876 27.966 760 HD2 PHE 100 HD2 PHE 100 9.641 17.011 26.060 761 HE1 PHE 100 HE1 PHE 100 7.718 19.353 29.936 762 HE2 PHE 100 HE2 PHE 100 11.041 17.484 28.027 763 HZ PHE 100 HZ PHE 100 10.080 18.656 29.969 764 H ALA 101 H ALA 101 7.226 15.429 27.956 765 HA ALA 101 HA ALA 101 9.472 14.005 27.027 766 HB1 ALA 101 1HB ALA 101 9.376 12.946 29.343 767 HB2 ALA 101 2HB ALA 101 9.534 14.701 29.267 768 HB3 ALA 101 3HB ALA 101 7.969 13.972 29.627 769 H ASN 102 H ASN 102 6.298 12.843 28.159 770 HA ASN 102 HA ASN 102 6.762 10.119 27.708 771 HB2 ASN 102 2HB ASN 102 4.312 11.813 27.985 772 HB3 ASN 102 3HB ASN 102 4.137 10.146 27.445 773 HD21 ASN 102 1HD2 ASN 102 4.776 8.462 28.837 774 HD22 ASN 102 2HD2 ASN 102 4.896 8.710 30.542 775 H LEU 103 H LEU 103 5.397 12.617 25.602 776 HA LEU 103 HA LEU 103 4.653 10.979 23.465 777 HB2 LEU 103 2HB LEU 103 4.059 13.382 23.776 778 HB3 LEU 103 3HB LEU 103 5.698 13.799 23.282 779 HG LEU 103 HG LEU 103 5.275 12.840 21.070 780 HD11 LEU 103 1HD1 LEU 103 3.683 11.124 21.633 781 HD12 LEU 103 2HD1 LEU 103 2.964 12.219 20.452 782 HD13 LEU 103 3HD1 LEU 103 2.508 12.332 22.152 783 HD21 LEU 103 1HD2 LEU 103 4.576 14.854 20.457 784 HD22 LEU 103 2HD2 LEU 103 4.185 15.199 22.142 785 HD23 LEU 103 3HD2 LEU 103 2.957 14.521 21.071 786 H LYS 104 H LYS 104 7.696 12.727 24.036 787 HA LYS 104 HA LYS 104 9.011 11.947 21.695 788 HB2 LYS 104 2HB LYS 104 9.649 13.630 23.648 789 HB3 LYS 104 3HB LYS 104 10.572 12.245 24.218 790 HG2 LYS 104 2HG LYS 104 10.974 12.737 21.389 791 HG3 LYS 104 3HG LYS 104 11.401 14.131 22.385 792 HD2 LYS 104 2HD LYS 104 12.371 11.330 22.932 793 HD3 LYS 104 3HD LYS 104 13.269 12.502 21.965 794 HE2 LYS 104 2HE LYS 104 12.430 13.682 24.450 795 HE3 LYS 104 3HE LYS 104 13.309 12.184 24.752 796 HZ1 LYS 104 1HZ LYS 104 15.224 13.092 24.092 797 HZ2 LYS 104 2HZ LYS 104 14.453 14.582 24.306 798 HZ3 LYS 104 3HZ LYS 104 14.528 13.882 22.768 799 H GLU 105 H GLU 105 9.057 10.465 24.930 800 HA GLU 105 HA GLU 105 10.823 8.393 24.436 801 HB2 GLU 105 2HB GLU 105 9.782 9.036 26.649 802 HB3 GLU 105 3HB GLU 105 8.350 8.147 26.149 803 HG2 GLU 105 2HG GLU 105 9.330 6.125 26.431 804 HG3 GLU 105 3HG GLU 105 10.936 6.719 26.013 805 H VAL 106 H VAL 106 7.276 8.340 24.099 806 HA VAL 106 HA VAL 106 7.042 5.728 23.142 807 HB VAL 106 HB VAL 106 5.290 8.095 22.464 808 HG11 VAL 106 1HG1 VAL 106 4.396 6.610 21.031 809 HG12 VAL 106 2HG1 VAL 106 5.147 5.229 21.833 810 HG13 VAL 106 3HG1 VAL 106 3.663 5.928 22.483 811 HG21 VAL 106 1HG2 VAL 106 4.483 8.015 24.533 812 HG22 VAL 106 2HG2 VAL 106 4.216 6.276 24.415 813 HG23 VAL 106 3HG2 VAL 106 5.780 6.894 24.946 814 H ALA 107 H ALA 107 7.573 8.766 21.409 815 HA ALA 107 HA ALA 107 7.301 7.836 18.797 816 HB1 ALA 107 1HB ALA 107 8.783 10.098 20.051 817 HB2 ALA 107 2HB ALA 107 9.060 9.726 18.350 818 HB3 ALA 107 3HB ALA 107 7.437 10.125 18.912 819 H LYS 108 H LYS 108 10.301 8.181 20.699 820 HA LYS 108 HA LYS 108 11.976 6.961 18.792 821 HB2 LYS 108 2HB LYS 108 12.288 7.284 21.780 822 HB3 LYS 108 3HB LYS 108 13.561 6.693 20.720 823 HG2 LYS 108 2HG LYS 108 12.244 9.345 20.255 824 HG3 LYS 108 3HG LYS 108 13.593 9.160 21.378 825 HD2 LYS 108 2HD LYS 108 14.836 8.053 19.451 826 HD3 LYS 108 3HD LYS 108 13.552 8.672 18.410 827 HE2 LYS 108 2HE LYS 108 14.541 10.737 20.161 828 HE3 LYS 108 3HE LYS 108 15.861 10.011 19.245 829 HZ1 LYS 108 1HZ LYS 108 13.971 11.866 18.363 830 HZ2 LYS 108 2HZ LYS 108 13.689 10.427 17.520 831 HZ3 LYS 108 3HZ LYS 108 15.219 11.147 17.475 832 H LEU 109 H LEU 109 10.011 5.669 21.387 833 HA LEU 109 HA LEU 109 11.105 3.117 21.610 834 HB2 LEU 109 2HB LEU 109 9.233 4.293 22.959 835 HB3 LEU 109 3HB LEU 109 8.152 3.589 21.758 836 HG LEU 109 HG LEU 109 9.312 1.352 22.432 837 HD11 LEU 109 1HD1 LEU 109 11.042 2.043 23.834 838 HD12 LEU 109 2HD1 LEU 109 9.801 1.463 24.944 839 HD13 LEU 109 3HD1 LEU 109 10.017 3.195 24.689 840 HD21 LEU 109 1HD2 LEU 109 7.375 2.727 24.291 841 HD22 LEU 109 2HD2 LEU 109 7.610 0.987 24.118 842 HD23 LEU 109 3HD2 LEU 109 6.944 1.925 22.781 843 H LEU 110 H LEU 110 9.020 4.489 19.176 844 HA LEU 110 HA LEU 110 8.186 2.036 18.005 845 HB2 LEU 110 2HB LEU 110 8.331 4.829 16.885 846 HB3 LEU 110 3HB LEU 110 7.584 3.464 16.057 847 HG LEU 110 HG LEU 110 6.660 4.480 18.739 848 HD11 LEU 110 1HD1 LEU 110 6.286 6.308 17.325 849 HD12 LEU 110 2HD1 LEU 110 4.755 5.433 17.339 850 HD13 LEU 110 3HD1 LEU 110 5.846 5.278 15.962 851 HD21 LEU 110 1HD2 LEU 110 5.564 2.534 18.673 852 HD22 LEU 110 2HD2 LEU 110 5.925 2.282 16.965 853 HD23 LEU 110 3HD2 LEU 110 4.559 3.294 17.438 854 H GLY 111 H GLY 111 11.134 3.719 17.989 855 HA2 GLY 111 2HA GLY 111 13.139 2.880 17.098 856 HA3 GLY 111 3HA GLY 111 12.205 1.846 16.027 857 H GLU 112 H GLU 112 11.280 5.153 16.199 858 HA GLU 112 HA GLU 112 12.322 5.549 13.487 859 HB2 GLU 112 2HB GLU 112 9.851 5.848 14.049 860 HB3 GLU 112 3HB GLU 112 10.329 7.299 14.919 861 HG2 GLU 112 2HG GLU 112 9.536 7.826 12.685 862 HG3 GLU 112 3HG GLU 112 11.236 8.250 12.877 863 H ASN 113 H ASN 113 13.798 7.072 13.007 864 HA ASN 113 HA ASN 113 14.712 8.806 15.208 865 HB2 ASN 113 2HB ASN 113 16.289 6.975 14.374 866 HB3 ASN 113 3HB ASN 113 16.419 7.912 12.889 867 HD21 ASN 113 1HD2 ASN 113 17.633 7.435 15.965 868 HD22 ASN 113 2HD2 ASN 113 18.596 8.864 16.091 869 HA PRO 114 HA PRO 114 13.104 11.504 11.772 870 HB2 PRO 114 2HB PRO 114 11.667 13.135 13.399 871 HB3 PRO 114 3HB PRO 114 11.018 11.635 12.726 872 HG2 PRO 114 2HG PRO 114 12.152 12.155 15.448 873 HG3 PRO 114 3HG PRO 114 10.709 11.228 14.995 874 HD2 PRO 114 2HD PRO 114 13.069 10.047 15.603 875 HD3 PRO 114 3HD PRO 114 11.934 9.362 14.421 876 H GLY 115 H GLY 115 13.251 13.959 11.682 877 HA2 GLY 115 2HA GLY 115 15.872 14.729 12.578 878 HA3 GLY 115 3HA GLY 115 14.765 15.706 11.624 879 H ASP 116 H ASP 116 16.459 16.193 14.103 880 HA ASP 116 HA ASP 116 14.858 16.575 16.348 881 HB2 ASP 116 2HB ASP 116 17.500 17.200 15.578 882 HB3 ASP 116 3HB ASP 116 16.776 18.709 16.126 883 H ASP 117 H ASP 117 15.292 18.572 13.494 884 HA ASP 117 HA ASP 117 14.106 20.933 14.397 885 HB2 ASP 117 2HB ASP 117 14.018 19.764 11.607 886 HB3 ASP 117 3HB ASP 117 13.713 21.446 12.031 887 H VAL 118 H VAL 118 12.676 17.976 13.134 888 HA VAL 118 HA VAL 118 10.027 18.980 12.912 889 HB VAL 118 HB VAL 118 10.903 16.111 13.268 890 HG11 VAL 118 1HG1 VAL 118 8.591 16.177 13.636 891 HG12 VAL 118 2HG1 VAL 118 8.337 17.394 12.384 892 HG13 VAL 118 3HG1 VAL 118 8.752 15.740 11.935 893 HG21 VAL 118 1HG2 VAL 118 11.797 16.231 11.239 894 HG22 VAL 118 2HG2 VAL 118 10.217 16.667 10.588 895 HG23 VAL 118 3HG2 VAL 118 11.336 17.928 11.106 896 H LEU 119 H LEU 119 11.888 17.580 15.513 897 HA LEU 119 HA LEU 119 9.685 17.017 17.229 898 HB2 LEU 119 2HB LEU 119 12.375 16.450 17.227 899 HB3 LEU 119 3HB LEU 119 12.220 17.604 18.550 900 HG LEU 119 HG LEU 119 12.098 15.341 19.393 901 HD11 LEU 119 1HD1 LEU 119 10.670 17.188 20.354 902 HD12 LEU 119 2HD1 LEU 119 10.145 15.541 20.706 903 HD13 LEU 119 3HD1 LEU 119 9.318 16.484 19.466 904 HD21 LEU 119 1HD2 LEU 119 9.524 14.779 18.040 905 HD22 LEU 119 2HD2 LEU 119 10.804 13.678 18.551 906 HD23 LEU 119 3HD2 LEU 119 10.992 14.624 17.074 907 H GLN 120 H GLN 120 12.153 19.594 17.307 908 HA GLN 120 HA GLN 120 10.977 21.076 19.374 909 HB2 GLN 120 2HB GLN 120 12.603 22.256 17.127 910 HB3 GLN 120 3HB GLN 120 12.466 22.838 18.780 911 HG2 GLN 120 2HG GLN 120 13.970 20.472 17.741 912 HG3 GLN 120 3HG GLN 120 14.560 21.834 18.692 913 HE21 GLN 120 1HE2 GLN 120 13.350 22.025 20.872 914 HE22 GLN 120 2HE2 GLN 120 13.215 20.554 21.767 915 H GLU 121 H GLU 121 10.639 21.334 15.854 916 HA GLU 121 HA GLU 121 8.983 23.607 15.835 917 HB2 GLU 121 2HB GLU 121 9.389 21.353 13.883 918 HB3 GLU 121 3HB GLU 121 8.244 22.649 13.567 919 HG2 GLU 121 2HG GLU 121 11.039 23.355 14.298 920 HG3 GLU 121 3HG GLU 121 10.705 22.757 12.674 921 H MET 122 H MET 122 8.205 20.144 15.853 922 HA MET 122 HA MET 122 5.436 20.343 15.643 923 HB2 MET 122 2HB MET 122 6.487 18.204 15.425 924 HB3 MET 122 3HB MET 122 7.168 18.306 17.042 925 HG2 MET 122 2HG MET 122 5.340 17.460 17.972 926 HG3 MET 122 3HG MET 122 4.283 18.538 17.063 927 HE1 MET 122 1HE MET 122 5.068 15.273 17.965 928 HE2 MET 122 2HE MET 122 4.635 14.177 16.653 929 HE3 MET 122 3HE MET 122 6.238 14.913 16.695 930 H ILE 123 H ILE 123 7.396 20.067 18.611 931 HA ILE 123 HA ILE 123 5.296 20.338 20.432 932 HB ILE 123 HB ILE 123 8.174 21.187 20.775 933 HG12 ILE 123 2HG1 ILE 123 7.874 18.807 20.161 934 HG13 ILE 123 3HG1 ILE 123 8.497 19.000 21.796 935 HG21 ILE 123 1HG2 ILE 123 7.320 22.148 22.627 936 HG22 ILE 123 2HG2 ILE 123 5.854 21.171 22.588 937 HG23 ILE 123 3HG2 ILE 123 7.346 20.496 23.243 938 HD11 ILE 123 1HD1 ILE 123 6.236 18.631 22.676 939 HD12 ILE 123 2HD1 ILE 123 5.657 18.374 21.030 940 HD13 ILE 123 3HD1 ILE 123 6.830 17.263 21.735 941 H ALA 124 H ALA 124 7.264 22.771 18.808 942 HA ALA 124 HA ALA 124 6.426 25.016 20.264 943 HB1 ALA 124 1HB ALA 124 8.318 25.251 18.871 944 HB2 ALA 124 2HB ALA 124 7.429 24.716 17.445 945 HB3 ALA 124 3HB ALA 124 7.069 26.282 18.172 946 H GLU 125 H GLU 125 5.096 23.519 17.335 947 HA GLU 125 HA GLU 125 3.053 25.442 16.937 948 HB2 GLU 125 2HB GLU 125 3.533 22.654 15.938 949 HB3 GLU 125 3HB GLU 125 2.008 23.462 15.605 950 HG2 GLU 125 2HG GLU 125 3.924 25.339 14.927 951 HG3 GLU 125 3HG GLU 125 4.597 23.808 14.369 952 H ALA 126 H ALA 126 2.916 22.130 18.254 953 HA ALA 126 HA ALA 126 0.226 22.177 19.008 954 HB1 ALA 126 1HB ALA 126 2.364 20.376 19.198 955 HB2 ALA 126 2HB ALA 126 1.764 20.593 20.843 956 HB3 ALA 126 3HB ALA 126 0.665 20.074 19.565 957 H ASP 127 H ASP 127 3.048 23.515 20.536 958 HA ASP 127 HA ASP 127 2.049 23.796 23.154 959 HB2 ASP 127 2HB ASP 127 4.388 24.074 22.833 960 HB3 ASP 127 3HB ASP 127 4.145 25.312 21.604 961 H GLU 128 H GLU 128 1.483 25.579 20.234 962 HA GLU 128 HA GLU 128 0.586 28.006 21.333 963 HB2 GLU 128 2HB GLU 128 -0.257 26.655 18.763 964 HB3 GLU 128 3HB GLU 128 -0.555 28.338 19.172 965 HG2 GLU 128 2HG GLU 128 2.234 27.743 19.454 966 HG3 GLU 128 3HG GLU 128 1.665 27.255 17.858 967 H ASP 129 H ASP 129 -0.911 24.894 21.040 968 HA ASP 129 HA ASP 129 -3.612 25.646 21.240 969 HB2 ASP 129 2HB ASP 129 -2.678 23.352 20.660 970 HB3 ASP 129 3HB ASP 129 -2.430 23.118 22.389 971 H GLY 130 H GLY 130 -1.090 25.296 23.637 972 HA2 GLY 130 2HA GLY 130 -2.816 26.573 25.604 973 HA3 GLY 130 3HA GLY 130 -2.241 24.964 26.017 974 H ASP 131 H ASP 131 -0.825 25.330 27.620 975 HA ASP 131 HA ASP 131 1.487 27.031 26.990 976 HB2 ASP 131 2HB ASP 131 -0.434 27.386 29.142 977 HB3 ASP 131 3HB ASP 131 1.206 27.199 29.757 978 H GLY 132 H GLY 132 2.781 25.266 26.529 979 HA2 GLY 132 2HA GLY 132 4.445 23.785 27.187 980 HA3 GLY 132 3HA GLY 132 3.857 23.905 28.839 981 H GLU 133 H GLU 133 1.538 23.190 26.403 982 HA GLU 133 HA GLU 133 1.624 20.339 27.139 983 HB2 GLU 133 2HB GLU 133 -0.759 22.172 26.928 984 HB3 GLU 133 3HB GLU 133 -0.913 20.421 26.873 985 HG2 GLU 133 2HG GLU 133 -0.208 20.168 29.080 986 HG3 GLU 133 3HG GLU 133 0.490 21.786 29.138 987 H VAL 134 H VAL 134 1.115 18.854 25.543 988 HA VAL 134 HA VAL 134 1.019 19.952 22.811 989 HB VAL 134 HB VAL 134 2.049 17.265 23.732 990 HG11 VAL 134 1HG1 VAL 134 1.145 18.141 21.181 991 HG12 VAL 134 2HG1 VAL 134 2.894 17.922 21.111 992 HG13 VAL 134 3HG1 VAL 134 1.858 16.591 21.627 993 HG21 VAL 134 1HG2 VAL 134 4.247 18.107 23.156 994 HG22 VAL 134 2HG2 VAL 134 3.553 19.650 22.658 995 HG23 VAL 134 3HG2 VAL 134 3.495 19.163 24.352 996 H SER 135 H SER 135 -0.942 19.850 21.948 997 HA SER 135 HA SER 135 -2.668 17.563 22.630 998 HB2 SER 135 2HB SER 135 -3.535 19.818 23.257 999 HB3 SER 135 3HB SER 135 -3.509 20.264 21.551 1000 HG SER 135 HG SER 135 -5.465 19.122 22.801 1001 H PHE 136 H PHE 136 -2.309 16.064 21.097 1002 HA PHE 136 HA PHE 136 -1.561 16.491 18.456 1003 HB2 PHE 136 2HB PHE 136 -2.250 14.269 20.075 1004 HB3 PHE 136 3HB PHE 136 -3.209 14.150 18.604 1005 HD1 PHE 136 HD1 PHE 136 -0.385 12.952 20.002 1006 HD2 PHE 136 HD2 PHE 136 -1.611 14.976 16.464 1007 HE1 PHE 136 HE1 PHE 136 1.567 12.045 18.811 1008 HE2 PHE 136 HE2 PHE 136 0.338 14.071 15.267 1009 HZ PHE 136 HZ PHE 136 1.930 12.603 16.439 1010 H GLU 137 H GLU 137 -4.708 16.602 19.946 1011 HA GLU 137 HA GLU 137 -6.381 16.297 17.763 1012 HB2 GLU 137 2HB GLU 137 -7.079 16.552 20.161 1013 HB3 GLU 137 3HB GLU 137 -6.794 18.279 20.004 1014 HG2 GLU 137 2HG GLU 137 -8.471 18.335 18.177 1015 HG3 GLU 137 3HG GLU 137 -8.817 16.638 18.502 1016 H GLU 138 H GLU 138 -4.475 19.073 18.747 1017 HA GLU 138 HA GLU 138 -5.661 20.977 17.037 1018 HB2 GLU 138 2HB GLU 138 -3.719 21.030 18.983 1019 HB3 GLU 138 3HB GLU 138 -2.794 21.339 17.520 1020 HG2 GLU 138 2HG GLU 138 -5.218 22.891 18.400 1021 HG3 GLU 138 3HG GLU 138 -3.544 23.397 18.621 1022 H PHE 139 H PHE 139 -2.723 19.004 16.650 1023 HA PHE 139 HA PHE 139 -2.029 19.889 14.095 1024 HB2 PHE 139 2HB PHE 139 -1.161 17.871 15.912 1025 HB3 PHE 139 3HB PHE 139 -1.348 17.130 14.326 1026 HD1 PHE 139 HD1 PHE 139 0.734 19.108 16.417 1027 HD2 PHE 139 HD2 PHE 139 -0.210 18.292 12.347 1028 HE1 PHE 139 HE1 PHE 139 2.901 20.049 15.729 1029 HE2 PHE 139 HE2 PHE 139 1.956 19.230 11.653 1030 HZ PHE 139 HZ PHE 139 3.515 20.110 13.345 1031 H LYS 140 H LYS 140 -3.995 17.092 15.069 1032 HA LYS 140 HA LYS 140 -4.531 16.087 12.524 1033 HB2 LYS 140 2HB LYS 140 -5.084 15.158 14.911 1034 HB3 LYS 140 3HB LYS 140 -6.611 15.999 14.678 1035 HG2 LYS 140 2HG LYS 140 -6.865 13.705 14.031 1036 HG3 LYS 140 3HG LYS 140 -6.954 14.721 12.591 1037 HD2 LYS 140 2HD LYS 140 -4.232 13.992 13.037 1038 HD3 LYS 140 3HD LYS 140 -5.227 12.535 13.095 1039 HE2 LYS 140 2HE LYS 140 -5.232 14.583 10.879 1040 HE3 LYS 140 3HE LYS 140 -4.427 13.016 10.825 1041 HZ1 LYS 140 1HZ LYS 140 -6.910 12.294 11.473 1042 HZ2 LYS 140 2HZ LYS 140 -6.346 12.380 9.881 1043 HZ3 LYS 140 3HZ LYS 140 -7.237 13.663 10.533 1044 H SER 141 H SER 141 -6.331 18.467 14.448 1045 HA SER 141 HA SER 141 -8.466 18.846 12.688 1046 HB2 SER 141 2HB SER 141 -8.959 19.922 14.629 1047 HB3 SER 141 3HB SER 141 -7.275 20.339 14.944 1048 HG SER 141 HG SER 141 -8.924 21.607 13.012 1049 H VAL 142 H VAL 142 -5.357 20.545 12.906 1050 HA VAL 142 HA VAL 142 -5.803 22.430 10.890 1051 HB VAL 142 HB VAL 142 -3.182 21.148 11.676 1052 HG11 VAL 142 1HG1 VAL 142 -3.835 23.609 10.077 1053 HG12 VAL 142 2HG1 VAL 142 -2.263 23.356 10.838 1054 HG13 VAL 142 3HG1 VAL 142 -2.840 22.232 9.607 1055 HG21 VAL 142 1HG2 VAL 142 -4.920 22.812 13.147 1056 HG22 VAL 142 2HG2 VAL 142 -3.282 22.310 13.566 1057 HG23 VAL 142 3HG2 VAL 142 -3.543 23.803 12.666 1058 H MET 143 H MET 143 -4.353 19.190 10.707 1059 HA MET 143 HA MET 143 -3.705 19.209 7.994 1060 HB2 MET 143 2HB MET 143 -3.444 17.413 10.035 1061 HB3 MET 143 3HB MET 143 -4.664 16.630 9.039 1062 HG2 MET 143 2HG MET 143 -2.766 15.761 8.131 1063 HG3 MET 143 3HG MET 143 -2.992 17.174 7.103 1064 HE1 MET 143 1HE MET 143 0.349 16.028 7.336 1065 HE2 MET 143 2HE MET 143 0.589 15.869 9.076 1066 HE3 MET 143 3HE MET 143 -0.793 15.092 8.301 1067 H MET 144 H MET 144 -6.652 17.997 9.587 1068 HA MET 144 HA MET 144 -8.008 17.167 7.304 1069 HB2 MET 144 2HB MET 144 -8.618 16.862 9.792 1070 HB3 MET 144 3HB MET 144 -9.413 18.424 9.648 1071 HG2 MET 144 2HG MET 144 -11.188 17.509 8.700 1072 HG3 MET 144 3HG MET 144 -10.194 16.704 7.487 1073 HE1 MET 144 1HE MET 144 -12.027 14.947 11.257 1074 HE2 MET 144 2HE MET 144 -11.586 16.642 11.047 1075 HE3 MET 144 3HE MET 144 -12.845 15.927 10.040 1076 H GLN 145 H GLN 145 -8.036 20.335 8.911 1077 HA GLN 145 HA GLN 145 -9.911 21.597 7.288 1078 HB2 GLN 145 2HB GLN 145 -8.921 22.498 9.413 1079 HB3 GLN 145 3HB GLN 145 -7.473 22.904 8.501 1080 HG2 GLN 145 2HG GLN 145 -8.534 24.576 7.307 1081 HG3 GLN 145 3HG GLN 145 -10.139 23.918 7.619 1082 HE21 GLN 145 1HE2 GLN 145 -7.353 25.051 9.510 1083 HE22 GLN 145 2HE2 GLN 145 -8.274 26.017 10.607 1084 H MET 146 H MET 146 -6.390 21.359 6.900 1085 HA MET 146 HA MET 146 -6.172 22.931 4.593 1086 HB2 MET 146 2HB MET 146 -4.502 20.897 5.950 1087 HB3 MET 146 3HB MET 146 -4.143 21.185 4.253 1088 HG2 MET 146 2HG MET 146 -4.430 23.709 5.472 1089 HG3 MET 146 3HG MET 146 -3.420 22.730 6.533 1090 HE1 MET 146 1HE MET 146 -0.519 22.866 5.903 1091 HE2 MET 146 2HE MET 146 -0.534 24.458 5.144 1092 HE3 MET 146 3HE MET 146 -1.639 24.104 6.473 1093 H ARG 147 H ARG 147 -6.513 19.403 4.928 1094 HA ARG 147 HA ARG 147 -6.467 18.737 2.231 1095 HB2 ARG 147 2HB ARG 147 -7.981 17.443 4.504 1096 HB3 ARG 147 3HB ARG 147 -7.782 16.722 2.912 1097 HG2 ARG 147 2HG ARG 147 -5.399 17.550 4.517 1098 HG3 ARG 147 3HG ARG 147 -6.204 16.009 4.816 1099 HD2 ARG 147 2HD ARG 147 -5.808 15.294 2.565 1100 HD3 ARG 147 3HD ARG 147 -5.208 16.888 2.112 1101 HE ARG 147 HE ARG 147 -3.165 16.280 2.918 1102 HH11 ARG 147 1HH1 ARG 147 -5.578 14.214 4.343 1103 HH12 ARG 147 2HH1 ARG 147 -4.424 13.205 5.150 1104 HH21 ARG 147 1HH2 ARG 147 -1.636 14.959 3.976 1105 HH22 ARG 147 2HH2 ARG 147 -2.182 13.630 4.942 1106 H GLY 148 H GLY 148 -9.204 19.703 4.269 1107 HA2 GLY 148 2HA GLY 148 -11.205 19.332 2.304 1108 HA3 GLY 148 3HA GLY 148 -11.346 20.339 3.738 1109 H LYS 149 H LYS 149 -9.770 22.379 3.484 1110 HA LYS 149 HA LYS 149 -10.945 23.975 1.476 1111 HB2 LYS 149 2HB LYS 149 -9.582 25.749 2.286 1112 HB3 LYS 149 3HB LYS 149 -10.018 24.772 3.682 1113 HG2 LYS 149 2HG LYS 149 -7.843 24.856 4.170 1114 HG3 LYS 149 3HG LYS 149 -7.669 23.623 2.919 1115 HD2 LYS 149 2HD LYS 149 -6.199 25.075 2.026 1116 HD3 LYS 149 3HD LYS 149 -7.646 25.886 1.422 1117 HE2 LYS 149 2HE LYS 149 -6.398 26.525 4.085 1118 HE3 LYS 149 3HE LYS 149 -5.947 27.350 2.595 1119 HZ1 LYS 149 1HZ LYS 149 -8.320 27.637 4.212 1120 HZ2 LYS 149 2HZ LYS 149 -8.627 27.535 2.552 1121 HZ3 LYS 149 3HZ LYS 149 -7.595 28.735 3.149
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