NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
23608 | 2jx2 | 15543 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ALA 35 HN ALA 35 15.547 25.930 24.999 2 HA ALA 35 HA ALA 35 17.523 24.596 25.945 3 HB1 ALA 35 1HB ALA 35 16.928 23.419 24.079 4 HB2 ALA 35 2HB ALA 35 18.411 24.109 23.420 5 HB3 ALA 35 3HB ALA 35 16.855 24.864 23.070 6 HA PRO 36 HA PRO 36 21.020 27.452 26.046 7 HB2 PRO 36 2HB PRO 36 22.581 25.897 27.611 8 HB3 PRO 36 1HB PRO 36 21.261 26.881 28.248 9 HG2 PRO 36 2HG PRO 36 21.313 23.954 27.620 10 HG3 PRO 36 1HG PRO 36 20.624 24.777 29.023 11 HD2 PRO 36 2HD PRO 36 19.096 23.934 26.957 12 HD3 PRO 36 1HD PRO 36 18.703 25.381 27.885 13 H ARG 37 HN ARG 37 20.909 24.195 24.854 14 HA ARG 37 HA ARG 37 23.473 24.705 23.400 15 HE ARG 37 HE ARG 37 24.920 22.459 28.020 16 HB2 ARG 37 2HB ARG 37 22.467 22.083 24.546 17 HB3 ARG 37 1HB ARG 37 23.871 22.238 23.490 18 HG2 ARG 37 2HG ARG 37 24.876 23.827 25.146 19 HG3 ARG 37 1HG ARG 37 23.514 23.511 26.220 20 HD2 ARG 37 2HD ARG 37 24.112 21.047 26.074 21 HD3 ARG 37 1HD ARG 37 25.595 21.534 25.254 22 HH11 ARG 37 1HH1 ARG 37 27.269 23.285 26.036 23 HH12 ARG 37 2HH1 ARG 37 28.583 22.493 26.840 24 HH21 ARG 37 1HH2 ARG 37 26.531 20.581 28.879 25 HH22 ARG 37 2HH2 ARG 37 28.165 20.962 28.449 26 H LYS 38 HN LYS 38 23.511 23.989 21.224 27 HA LYS 38 HA LYS 38 21.100 22.682 20.124 28 HB2 LYS 38 2HB LYS 38 22.047 25.390 19.135 29 HB3 LYS 38 1HB LYS 38 20.728 24.439 18.453 30 HG2 LYS 38 2HG LYS 38 19.547 24.566 20.643 31 HG3 LYS 38 1HG LYS 38 20.842 25.594 21.256 32 HD2 LYS 38 2HD LYS 38 20.369 27.240 19.466 33 HD3 LYS 38 1HD LYS 38 19.056 26.217 18.883 34 HE2 LYS 38 2HE LYS 38 17.933 26.423 21.082 35 HE3 LYS 38 1HE LYS 38 19.237 27.472 21.640 36 HZ1 LYS 38 3HZ LYS 38 18.158 29.168 20.747 37 HZ2 LYS 38 1HZ LYS 38 16.967 28.142 20.110 38 HZ3 LYS 38 2HZ LYS 38 18.365 28.482 19.207 39 H GLY 39 HN GLY 39 21.616 22.956 17.442 40 HA2 GLY 39 1HA GLY 39 24.044 22.951 16.275 41 HA3 GLY 39 2HA GLY 39 24.142 21.449 17.193 42 H ASN 40 HN ASN 40 22.445 23.097 14.573 43 HA ASN 40 HA ASN 40 20.953 20.643 13.888 44 HB2 ASN 40 2HB ASN 40 20.026 23.029 13.669 45 HB3 ASN 40 1HB ASN 40 21.085 23.192 12.268 46 HD21 ASN 40 1HD2 ASN 40 18.655 23.419 11.359 47 HD22 ASN 40 2HD2 ASN 40 17.983 21.976 10.771 48 H THR 41 HN THR 41 22.361 19.118 13.059 49 HA THR 41 HA THR 41 24.621 19.781 11.391 50 HB THR 41 HB THR 41 23.152 17.163 11.821 51 HG1 THR 41 1HG THR 41 25.226 18.537 13.061 52 HG21 THR 41 3HG2 THR 41 25.210 16.134 10.874 53 HG22 THR 41 1HG2 THR 41 25.800 17.745 10.465 54 HG23 THR 41 2HG2 THR 41 24.346 17.114 9.690 55 H LEU 42 HN LEU 42 24.718 20.007 9.188 56 HA LEU 42 HA LEU 42 22.187 19.510 7.670 57 HG LEU 42 HG LEU 42 23.604 22.146 9.060 58 HB2 LEU 42 2HB LEU 42 24.369 21.439 6.860 59 HB3 LEU 42 1HB LEU 42 22.709 21.366 6.273 60 HD11 LEU 42 1HD1 LEU 42 23.619 24.235 8.223 61 HD12 LEU 42 2HD1 LEU 42 21.916 24.059 7.797 62 HD13 LEU 42 3HD1 LEU 42 23.167 23.616 6.634 63 HD21 LEU 42 3HD2 LEU 42 20.786 22.099 7.958 64 HD22 LEU 42 1HD2 LEU 42 21.287 22.377 9.627 65 HD23 LEU 42 2HD2 LEU 42 21.461 20.776 8.908 66 H TYR 43 HN TYR 43 22.379 18.469 5.640 67 HA TYR 43 HA TYR 43 24.926 16.982 5.287 68 HD1 TYR 43 HD1 TYR 43 24.733 14.141 5.153 69 HD2 TYR 43 HD2 TYR 43 23.081 16.149 1.734 70 HE1 TYR 43 HE1 TYR 43 25.923 12.565 3.653 71 HE2 TYR 43 HE2 TYR 43 24.271 14.573 0.234 72 HH TYR 43 HH TYR 43 25.819 11.722 1.421 73 HB2 TYR 43 2HB TYR 43 22.810 15.691 5.355 74 HB3 TYR 43 1HB TYR 43 22.229 16.588 3.953 75 H VAL 44 HN VAL 44 26.336 17.638 3.744 76 HA VAL 44 HA VAL 44 25.265 19.286 1.485 77 HB VAL 44 HB VAL 44 28.000 19.468 2.787 78 HG11 VAL 44 1HG1 VAL 44 26.686 20.790 0.428 79 HG12 VAL 44 2HG1 VAL 44 28.327 20.160 0.578 80 HG13 VAL 44 3HG1 VAL 44 27.889 21.676 1.366 81 HG21 VAL 44 3HG2 VAL 44 27.024 21.820 3.341 82 HG22 VAL 44 1HG2 VAL 44 26.522 20.451 4.333 83 HG23 VAL 44 2HG2 VAL 44 25.457 21.060 3.066 84 H TYR 45 HN TYR 45 25.779 18.564 -0.551 85 HA TYR 45 HA TYR 45 27.787 16.352 -0.742 86 HD1 TYR 45 HD1 TYR 45 27.092 13.652 -1.223 87 HD2 TYR 45 HD2 TYR 45 26.165 16.256 -4.511 88 HE1 TYR 45 HE1 TYR 45 28.103 12.024 -2.797 89 HE2 TYR 45 HE2 TYR 45 27.176 14.628 -6.085 90 HH TYR 45 HH TYR 45 28.859 11.747 -4.919 91 HB2 TYR 45 2HB TYR 45 25.463 15.518 -1.001 92 HB3 TYR 45 1HB TYR 45 25.218 16.651 -2.330 93 H GLY 46 HN GLY 46 29.290 16.570 -2.377 94 HA2 GLY 46 1HA GLY 46 28.917 18.083 -4.768 95 HA3 GLY 46 2HA GLY 46 29.738 19.099 -3.584 96 H GLU 47 HN GLU 47 31.337 18.755 -5.581 97 HA GLU 47 HA GLU 47 33.070 16.407 -4.913 98 HB2 GLU 47 2HB GLU 47 32.793 17.865 -7.560 99 HB3 GLU 47 1HB GLU 47 33.882 16.514 -7.244 100 HG2 GLU 47 2HG GLU 47 31.913 15.104 -6.660 101 HG3 GLU 47 1HG GLU 47 30.853 16.451 -7.077 102 H ASP 48 HN ASP 48 35.386 16.816 -4.994 103 HA ASP 48 HA ASP 48 37.207 18.114 -4.239 104 HB2 ASP 48 2HB ASP 48 36.088 19.975 -6.358 105 HB3 ASP 48 1HB ASP 48 37.746 19.957 -5.757 106 H MET 49 HN MET 49 35.110 18.428 -2.478 107 HA MET 49 HA MET 49 34.709 21.338 -2.097 108 HB2 MET 49 2HB MET 49 33.641 18.940 -0.586 109 HB3 MET 49 1HB MET 49 33.233 20.615 -0.218 110 HG2 MET 49 2HG MET 49 32.449 20.839 -2.621 111 HG3 MET 49 1HG MET 49 32.639 19.092 -2.768 112 HE1 MET 49 3HE MET 49 30.342 17.792 0.107 113 HE2 MET 49 1HE MET 49 32.023 18.318 0.267 114 HE3 MET 49 2HE MET 49 31.520 17.376 -1.135 115 H THR 50 HN THR 50 35.584 22.471 -0.343 116 HA THR 50 HA THR 50 37.594 20.960 1.281 117 HB THR 50 HB THR 50 38.422 23.563 1.428 118 HG1 THR 50 1HG THR 50 37.461 24.582 -0.122 119 HG21 THR 50 3HG2 THR 50 39.740 21.494 0.884 120 HG22 THR 50 1HG2 THR 50 40.191 22.897 -0.085 121 HG23 THR 50 2HG2 THR 50 39.176 21.634 -0.781 122 HA PRO 51 HA PRO 51 35.649 22.368 4.998 123 HB2 PRO 51 2HB PRO 51 37.722 23.141 6.550 124 HB3 PRO 51 1HB PRO 51 37.375 21.449 6.184 125 HG2 PRO 51 2HG PRO 51 39.386 23.286 4.939 126 HG3 PRO 51 1HG PRO 51 39.573 21.597 5.421 127 HD2 PRO 51 1HD PRO 51 39.154 22.323 2.848 128 HD3 PRO 51 2HD PRO 51 38.547 20.804 3.508 129 H THR 52 HN THR 52 38.285 24.653 4.156 130 HA THR 52 HA THR 52 37.155 26.913 5.451 131 HB THR 52 HB THR 52 38.821 26.923 2.917 132 HG1 THR 52 1HG THR 52 39.838 27.205 5.512 133 HG21 THR 52 3HG2 THR 52 38.794 29.157 3.137 134 HG22 THR 52 1HG2 THR 52 39.391 29.018 4.790 135 HG23 THR 52 2HG2 THR 52 37.656 28.994 4.475 136 H LEU 53 HN LEU 53 36.727 25.702 2.130 137 HA LEU 53 HA LEU 53 35.107 27.850 1.187 138 HG LEU 53 HG LEU 53 33.067 26.475 -0.228 139 HB2 LEU 53 2HB LEU 53 36.065 26.162 -0.324 140 HB3 LEU 53 1HB LEU 53 35.049 24.919 0.406 141 HD11 LEU 53 1HD1 LEU 53 35.090 28.169 -0.967 142 HD12 LEU 53 2HD1 LEU 53 33.442 28.262 -1.588 143 HD13 LEU 53 3HD1 LEU 53 34.686 27.417 -2.510 144 HD21 LEU 53 3HD2 LEU 53 34.653 24.587 -1.830 145 HD22 LEU 53 1HD2 LEU 53 33.638 25.654 -2.799 146 HD23 LEU 53 2HD2 LEU 53 32.912 24.639 -1.552 147 H LEU 54 HN LEU 54 34.146 24.696 2.585 148 HA LEU 54 HA LEU 54 31.343 25.189 2.562 149 HG LEU 54 HG LEU 54 32.661 23.177 1.777 150 HB2 LEU 54 2HB LEU 54 33.012 23.513 4.461 151 HB3 LEU 54 1HB LEU 54 31.252 23.457 4.365 152 HD11 LEU 54 1HD1 LEU 54 32.564 20.646 3.288 153 HD12 LEU 54 2HD1 LEU 54 33.784 21.785 3.859 154 HD13 LEU 54 3HD1 LEU 54 33.797 21.247 2.179 155 HD21 LEU 54 3HD2 LEU 54 30.942 21.137 1.902 156 HD22 LEU 54 1HD2 LEU 54 30.394 22.780 1.572 157 HD23 LEU 54 2HD2 LEU 54 30.257 22.116 3.200 158 H ARG 55 HN ARG 55 33.808 25.884 5.039 159 HA ARG 55 HA ARG 55 32.074 26.850 7.061 160 HE ARG 55 HE ARG 55 35.016 30.153 10.331 161 HB2 ARG 55 2HB ARG 55 34.521 26.462 7.358 162 HB3 ARG 55 1HB ARG 55 34.841 27.890 6.373 163 HG2 ARG 55 2HG ARG 55 33.579 29.278 7.985 164 HG3 ARG 55 1HG ARG 55 33.277 27.850 8.974 165 HD2 ARG 55 2HD ARG 55 35.785 27.545 9.130 166 HD3 ARG 55 1HD ARG 55 35.959 29.118 8.352 167 HH11 ARG 55 1HH1 ARG 55 34.080 26.953 10.552 168 HH12 ARG 55 2HH1 ARG 55 34.470 26.763 12.229 169 HH21 ARG 55 1HH2 ARG 55 36.076 29.826 12.476 170 HH22 ARG 55 2HH2 ARG 55 35.600 28.389 13.318 171 H GLY 56 HN GLY 56 33.290 28.398 4.135 172 HA2 GLY 56 2HA GLY 56 32.324 31.046 4.869 173 HA3 GLY 56 1HA GLY 56 32.887 30.557 3.270 174 H ALA 57 HN ALA 57 31.049 28.274 3.099 175 HA ALA 57 HA ALA 57 28.746 29.684 2.040 176 HB1 ALA 57 1HB ALA 57 29.055 27.764 0.815 177 HB2 ALA 57 2HB ALA 57 27.934 27.115 2.012 178 HB3 ALA 57 3HB ALA 57 29.669 26.857 2.198 179 H PHE 58 HN PHE 58 29.556 28.320 5.105 180 HA PHE 58 HA PHE 58 26.710 28.658 5.970 181 HD1 PHE 58 HD1 PHE 58 25.158 26.276 6.645 182 HD2 PHE 58 HD2 PHE 58 28.989 25.586 4.829 183 HE1 PHE 58 HE1 PHE 58 24.116 24.693 5.046 184 HE2 PHE 58 HE2 PHE 58 27.947 24.002 3.230 185 HZ PHE 58 HZ PHE 58 25.510 23.556 3.339 186 HB2 PHE 58 2HB PHE 58 28.806 26.713 6.980 187 HB3 PHE 58 1HB PHE 58 27.241 26.969 7.750 188 H SER 59 HN SER 59 29.616 30.126 6.064 189 HA SER 59 HA SER 59 29.920 30.683 8.888 190 HG SER 59 HG SER 59 31.619 33.565 7.047 191 HB2 SER 59 2HB SER 59 31.903 31.189 7.869 192 HB3 SER 59 1HB SER 59 31.125 31.630 6.349 193 HA PRO 60 HA PRO 60 27.752 34.884 7.762 194 HB2 PRO 60 2HB PRO 60 26.554 35.050 5.345 195 HB3 PRO 60 1HB PRO 60 28.235 35.513 5.619 196 HG2 PRO 60 2HG PRO 60 27.127 32.973 4.483 197 HG3 PRO 60 1HG PRO 60 28.508 33.928 3.932 198 HD2 PRO 60 2HD PRO 60 28.810 31.684 5.408 199 HD3 PRO 60 1HD PRO 60 29.920 33.048 5.539 200 H PHE 61 HN PHE 61 26.324 31.907 6.476 201 HA PHE 61 HA PHE 61 23.582 32.646 6.810 202 HD1 PHE 61 HD1 PHE 61 26.063 30.700 4.677 203 HD2 PHE 61 HD2 PHE 61 21.803 30.808 5.209 204 HE1 PHE 61 HE1 PHE 61 25.764 30.951 2.228 205 HE2 PHE 61 HE2 PHE 61 21.503 31.060 2.760 206 HZ PHE 61 HZ PHE 61 23.484 31.131 1.269 207 HB2 PHE 61 2HB PHE 61 25.012 29.984 6.787 208 HB3 PHE 61 1HB PHE 61 23.266 30.098 7.012 209 H GLY 62 HN GLY 62 25.996 31.392 9.055 210 HA2 GLY 62 1HA GLY 62 24.757 32.397 11.373 211 HA3 GLY 62 2HA GLY 62 24.174 30.744 11.182 212 H ASN 63 HN ASN 63 25.496 30.798 13.372 213 HA ASN 63 HA ASN 63 28.402 30.469 12.917 214 HB2 ASN 63 2HB ASN 63 27.431 31.709 14.923 215 HB3 ASN 63 1HB ASN 63 26.895 30.139 15.520 216 HD21 ASN 63 1HD2 ASN 63 28.381 29.172 16.903 217 HD22 ASN 63 2HD2 ASN 63 30.061 29.411 16.857 218 H ILE 64 HN ILE 64 29.453 28.484 13.084 219 HA ILE 64 HA ILE 64 27.663 26.101 13.169 220 HB ILE 64 HB ILE 64 30.517 26.344 12.168 221 HG12 ILE 64 2HG1 ILE 64 27.977 26.039 10.550 222 HG13 ILE 64 1HG1 ILE 64 28.723 27.605 10.871 223 HG21 ILE 64 1HG2 ILE 64 28.463 24.119 11.996 224 HG22 ILE 64 2HG2 ILE 64 29.973 24.081 12.906 225 HG23 ILE 64 3HG2 ILE 64 30.007 24.124 11.144 226 HD11 ILE 64 3HD1 ILE 64 30.892 26.227 10.011 227 HD12 ILE 64 1HD1 ILE 64 29.845 27.145 8.928 228 HD13 ILE 64 2HD1 ILE 64 29.629 25.403 9.096 229 H ILE 65 HN ILE 65 27.807 24.723 14.883 230 HA ILE 65 HA ILE 65 29.870 25.289 16.937 231 HB ILE 65 HB ILE 65 28.491 23.996 18.437 232 HG12 ILE 65 2HG1 ILE 65 26.896 23.235 15.970 233 HG13 ILE 65 1HG1 ILE 65 27.964 22.160 16.872 234 HG21 ILE 65 1HG2 ILE 65 27.699 26.331 17.362 235 HG22 ILE 65 2HG2 ILE 65 26.732 25.475 18.563 236 HG23 ILE 65 3HG2 ILE 65 26.346 25.322 16.849 237 HD11 ILE 65 3HD1 ILE 65 26.468 22.923 18.921 238 HD12 ILE 65 1HD1 ILE 65 25.918 21.639 17.845 239 HD13 ILE 65 2HD1 ILE 65 25.294 23.277 17.654 240 H ASP 66 HN ASP 66 29.063 22.949 14.509 241 HA ASP 66 HA ASP 66 31.548 21.501 15.058 242 HB2 ASP 66 2HB ASP 66 29.768 20.493 16.598 243 HB3 ASP 66 1HB ASP 66 28.968 19.923 15.134 244 H LEU 67 HN LEU 67 32.313 21.552 12.989 245 HA LEU 67 HA LEU 67 30.419 20.826 10.791 246 HG LEU 67 HG LEU 67 31.274 21.100 8.664 247 HB2 LEU 67 2HB LEU 67 31.538 23.114 10.731 248 HB3 LEU 67 1HB LEU 67 33.067 22.265 10.496 249 HD11 LEU 67 1HD1 LEU 67 29.720 22.924 8.860 250 HD12 LEU 67 2HD1 LEU 67 30.618 23.182 7.364 251 HD13 LEU 67 3HD1 LEU 67 31.020 24.114 8.806 252 HD21 LEU 67 3HD2 LEU 67 33.803 21.784 8.589 253 HD22 LEU 67 1HD2 LEU 67 33.190 23.297 7.921 254 HD23 LEU 67 2HD2 LEU 67 32.873 21.774 7.090 255 H SER 68 HN SER 68 30.747 18.832 9.942 256 HA SER 68 HA SER 68 33.483 17.645 10.200 257 HG SER 68 HG SER 68 31.573 17.478 12.047 258 HB2 SER 68 2HB SER 68 30.820 16.195 10.090 259 HB3 SER 68 1HB SER 68 32.404 15.449 10.300 260 H MET 69 HN MET 69 34.250 16.430 8.385 261 HA MET 69 HA MET 69 32.694 16.869 5.866 262 HB2 MET 69 2HB MET 69 35.693 17.015 6.297 263 HB3 MET 69 1HB MET 69 34.913 17.055 4.716 264 HG2 MET 69 2HG MET 69 33.584 19.047 5.519 265 HG3 MET 69 1HG MET 69 34.589 19.057 6.969 266 HE1 MET 69 3HE MET 69 35.807 18.565 2.923 267 HE2 MET 69 1HE MET 69 35.333 20.260 2.750 268 HE3 MET 69 2HE MET 69 34.192 19.085 3.398 269 H ASP 70 HN ASP 70 32.647 15.118 4.425 270 HA ASP 70 HA ASP 70 33.979 12.618 5.392 271 HB2 ASP 70 2HB ASP 70 31.260 12.957 4.092 272 HB3 ASP 70 1HB ASP 70 32.028 11.398 4.394 273 HA PRO 71 HA PRO 71 35.726 13.205 1.251 274 HB2 PRO 71 2HB PRO 71 37.859 11.598 1.640 275 HB3 PRO 71 1HB PRO 71 37.791 13.276 2.179 276 HG2 PRO 71 2HG PRO 71 37.482 10.768 3.743 277 HG3 PRO 71 1HG PRO 71 38.204 12.303 4.219 278 HD2 PRO 71 2HD PRO 71 35.670 11.475 4.952 279 HD3 PRO 71 1HD PRO 71 36.214 13.150 4.940 280 HA PRO 72 HA PRO 72 35.337 8.427 0.489 281 HB2 PRO 72 2HB PRO 72 33.746 7.050 2.171 282 HB3 PRO 72 1HB PRO 72 35.485 7.219 2.422 283 HG2 PRO 72 2HG PRO 72 33.227 8.645 3.742 284 HG3 PRO 72 1HG PRO 72 34.752 8.089 4.431 285 HD2 PRO 72 1HD PRO 72 34.238 10.687 3.728 286 HD3 PRO 72 2HD PRO 72 35.852 9.995 3.827 287 H ARG 73 HN ARG 73 32.646 10.248 1.877 288 HA ARG 73 HA ARG 73 30.858 9.109 -0.226 289 HE ARG 73 HE ARG 73 29.689 6.940 4.607 290 HB2 ARG 73 2HB ARG 73 30.209 10.565 2.354 291 HB3 ARG 73 1HB ARG 73 29.007 10.034 1.177 292 HG2 ARG 73 2HG ARG 73 29.899 7.691 1.440 293 HG3 ARG 73 1HG ARG 73 30.912 8.283 2.757 294 HD2 ARG 73 2HD ARG 73 28.800 9.145 3.860 295 HD3 ARG 73 1HD ARG 73 27.886 8.276 2.627 296 HH11 ARG 73 1HH1 ARG 73 28.891 5.439 2.090 297 HH12 ARG 73 2HH1 ARG 73 27.511 4.553 2.645 298 HH21 ARG 73 1HH2 ARG 73 27.087 6.482 5.495 299 HH22 ARG 73 2HH2 ARG 73 26.489 5.143 4.573 300 H ASN 74 HN ASN 74 32.770 11.775 0.386 301 HA ASN 74 HA ASN 74 32.892 13.887 -0.628 302 HB2 ASN 74 2HB ASN 74 30.787 12.677 -2.448 303 HB3 ASN 74 1HB ASN 74 31.678 14.165 -2.770 304 HD21 ASN 74 1HD2 ASN 74 31.689 11.349 -4.104 305 HD22 ASN 74 2HD2 ASN 74 33.339 10.961 -4.190 306 H CYS 75 HN CYS 75 31.111 13.487 1.621 307 HA CYS 75 HA CYS 75 29.134 15.645 1.015 308 HG CYS 75 HG CYS 75 28.065 12.695 3.973 309 HB2 CYS 75 2HB CYS 75 27.476 14.554 2.395 310 HB3 CYS 75 1HB CYS 75 28.050 13.373 1.217 311 H ALA 76 HN ALA 76 29.090 17.279 2.533 312 HA ALA 76 HA ALA 76 30.902 16.938 4.887 313 HB1 ALA 76 1HB ALA 76 31.653 19.061 4.559 314 HB2 ALA 76 2HB ALA 76 30.045 19.668 4.162 315 HB3 ALA 76 3HB ALA 76 31.010 18.854 2.930 316 H PHE 77 HN PHE 77 30.149 17.642 6.941 317 HA PHE 77 HA PHE 77 27.189 18.050 7.076 318 HD1 PHE 77 HD1 PHE 77 25.611 15.889 8.177 319 HD2 PHE 77 HD2 PHE 77 29.765 15.014 7.517 320 HE1 PHE 77 HE1 PHE 77 24.985 13.779 7.033 321 HE2 PHE 77 HE2 PHE 77 29.138 12.904 6.373 322 HZ PHE 77 HZ PHE 77 26.749 12.287 6.132 323 HB2 PHE 77 2HB PHE 77 29.088 16.765 9.061 324 HB3 PHE 77 1HB PHE 77 27.386 17.092 9.388 325 H VAL 78 HN VAL 78 26.485 19.918 8.026 326 HA VAL 78 HA VAL 78 28.506 21.540 9.522 327 HB VAL 78 HB VAL 78 26.265 22.591 7.774 328 HG11 VAL 78 1HG1 VAL 78 28.135 23.776 9.707 329 HG12 VAL 78 2HG1 VAL 78 26.643 24.437 9.037 330 HG13 VAL 78 3HG1 VAL 78 28.151 24.574 8.134 331 HG21 VAL 78 3HG2 VAL 78 28.747 23.361 6.732 332 HG22 VAL 78 1HG2 VAL 78 27.656 22.155 6.050 333 HG23 VAL 78 2HG2 VAL 78 28.949 21.658 7.142 334 H THR 79 HN THR 79 27.882 22.066 11.567 335 HA THR 79 HA THR 79 25.061 21.494 12.333 336 HB THR 79 HB THR 79 27.403 22.034 14.176 337 HG1 THR 79 1HG THR 79 27.785 20.225 12.818 338 HG21 THR 79 3HG2 THR 79 24.801 22.040 14.791 339 HG22 THR 79 1HG2 THR 79 26.010 21.369 15.885 340 HG23 THR 79 2HG2 THR 79 25.072 20.298 14.845 341 H TYR 80 HN TYR 80 23.714 23.150 12.910 342 HA TYR 80 HA TYR 80 24.929 25.875 13.114 343 HD1 TYR 80 HD1 TYR 80 24.989 27.539 12.226 344 HD2 TYR 80 HD2 TYR 80 22.466 25.292 9.574 345 HE1 TYR 80 HE1 TYR 80 26.084 28.611 10.275 346 HE2 TYR 80 HE2 TYR 80 23.560 26.363 7.624 347 HH TYR 80 HH TYR 80 26.085 28.841 8.066 348 HB2 TYR 80 2HB TYR 80 22.427 24.834 11.882 349 HB3 TYR 80 1HB TYR 80 22.319 26.402 12.681 350 H GLU 81 HN GLU 81 24.277 27.211 14.847 351 HA GLU 81 HA GLU 81 23.463 25.838 17.260 352 HB2 GLU 81 2HB GLU 81 24.955 27.863 17.198 353 HB3 GLU 81 1HB GLU 81 23.546 28.826 16.753 354 HG2 GLU 81 2HG GLU 81 22.409 28.042 18.837 355 HG3 GLU 81 1HG GLU 81 23.893 27.205 19.293 356 H LYS 82 HN LYS 82 21.798 27.690 14.792 357 HA LYS 82 HA LYS 82 19.247 27.229 16.287 358 HB2 LYS 82 2HB LYS 82 19.950 29.562 14.478 359 HB3 LYS 82 1HB LYS 82 18.381 29.298 15.241 360 HG2 LYS 82 2HG LYS 82 19.496 29.368 17.471 361 HG3 LYS 82 1HG LYS 82 21.022 29.737 16.668 362 HD2 LYS 82 2HD LYS 82 19.897 31.745 15.633 363 HD3 LYS 82 1HD LYS 82 18.498 31.415 16.656 364 HE2 LYS 82 2HE LYS 82 21.198 31.580 17.942 365 HE3 LYS 82 1HE LYS 82 20.404 33.079 17.462 366 HZ1 LYS 82 3HZ LYS 82 18.492 31.480 18.698 367 HZ2 LYS 82 1HZ LYS 82 19.159 32.931 19.268 368 HZ3 LYS 82 2HZ LYS 82 19.872 31.448 19.689 369 H MET 83 HN MET 83 17.489 26.502 15.024 370 HA MET 83 HA MET 83 18.134 24.970 12.688 371 HB2 MET 83 2HB MET 83 15.461 25.904 13.774 372 HB3 MET 83 1HB MET 83 15.644 24.743 12.459 373 HG2 MET 83 2HG MET 83 17.078 23.357 14.037 374 HG3 MET 83 1HG MET 83 16.564 24.441 15.329 375 HE1 MET 83 3HE MET 83 16.067 22.694 16.507 376 HE2 MET 83 1HE MET 83 15.184 21.243 16.014 377 HE3 MET 83 2HE MET 83 14.344 22.551 16.843 378 H GLU 84 HN GLU 84 17.230 28.291 13.141 379 HA GLU 84 HA GLU 84 16.217 28.770 10.479 380 HB2 GLU 84 2HB GLU 84 17.448 30.649 12.517 381 HB3 GLU 84 1HB GLU 84 16.659 31.173 11.029 382 HG2 GLU 84 2HG GLU 84 14.576 30.032 11.758 383 HG3 GLU 84 1HG GLU 84 15.371 29.576 13.265 384 H SER 85 HN SER 85 19.437 28.935 11.957 385 HA SER 85 HA SER 85 20.799 30.171 9.786 386 HG SER 85 HG SER 85 21.584 30.832 11.959 387 HB2 SER 85 2HB SER 85 21.910 28.038 11.632 388 HB3 SER 85 1HB SER 85 22.829 29.258 10.751 389 H ALA 86 HN ALA 86 19.828 26.821 10.334 390 HA ALA 86 HA ALA 86 21.306 25.828 8.015 391 HB1 ALA 86 1HB ALA 86 20.001 23.727 8.452 392 HB2 ALA 86 2HB ALA 86 19.153 24.575 9.745 393 HB3 ALA 86 3HB ALA 86 20.892 24.304 9.860 394 H ASP 87 HN ASP 87 18.085 27.048 8.674 395 HA ASP 87 HA ASP 87 16.819 26.033 6.299 396 HB2 ASP 87 2HB ASP 87 16.215 28.434 8.046 397 HB3 ASP 87 1HB ASP 87 15.180 27.915 6.716 398 H GLN 88 HN GLN 88 18.447 29.125 7.027 399 HA GLN 88 HA GLN 88 18.027 30.195 4.368 400 HB2 GLN 88 2HB GLN 88 18.476 31.603 6.390 401 HB3 GLN 88 1HB GLN 88 20.126 30.981 6.411 402 HG2 GLN 88 2HG GLN 88 20.473 31.862 4.120 403 HG3 GLN 88 1HG GLN 88 18.835 32.515 4.134 404 HE21 GLN 88 1HE2 GLN 88 20.785 34.405 3.785 405 HE22 GLN 88 2HE2 GLN 88 21.045 35.293 5.208 406 H ALA 89 HN ALA 89 20.686 28.465 5.967 407 HA ALA 89 HA ALA 89 22.469 28.675 3.684 408 HB1 ALA 89 1HB ALA 89 22.775 27.945 6.325 409 HB2 ALA 89 2HB ALA 89 23.988 27.711 5.067 410 HB3 ALA 89 3HB ALA 89 22.894 26.395 5.493 411 H VAL 90 HN VAL 90 20.360 26.094 4.967 412 HA VAL 90 HA VAL 90 20.991 24.228 2.857 413 HB VAL 90 HB VAL 90 18.644 24.411 4.765 414 HG11 VAL 90 1HG1 VAL 90 18.039 22.174 4.055 415 HG12 VAL 90 2HG1 VAL 90 19.430 22.095 2.974 416 HG13 VAL 90 3HG1 VAL 90 18.104 23.203 2.624 417 HG21 VAL 90 3HG2 VAL 90 19.983 23.331 6.224 418 HG22 VAL 90 1HG2 VAL 90 21.324 23.658 5.126 419 HG23 VAL 90 2HG2 VAL 90 20.437 22.139 5.006 420 H ALA 91 HN ALA 91 18.498 26.704 3.286 421 HA ALA 91 HA ALA 91 17.079 25.938 0.851 422 HB1 ALA 91 1HB ALA 91 15.919 27.042 2.745 423 HB2 ALA 91 2HB ALA 91 15.759 27.972 1.255 424 HB3 ALA 91 3HB ALA 91 16.904 28.483 2.494 425 H GLU 92 HN GLU 92 19.400 28.469 1.781 426 HA GLU 92 HA GLU 92 19.364 29.696 -0.863 427 HB2 GLU 92 2HB GLU 92 20.004 30.800 1.391 428 HB3 GLU 92 1HB GLU 92 21.569 30.020 1.169 429 HG2 GLU 92 2HG GLU 92 21.761 31.105 -1.059 430 HG3 GLU 92 1HG GLU 92 20.234 31.932 -0.764 431 H LEU 93 HN LEU 93 21.551 27.491 0.884 432 HA LEU 93 HA LEU 93 23.476 27.330 -1.263 433 HG LEU 93 HG LEU 93 23.494 27.776 1.607 434 HB2 LEU 93 2HB LEU 93 22.912 25.369 0.983 435 HB3 LEU 93 1HB LEU 93 24.354 25.382 -0.032 436 HD11 LEU 93 1HD1 LEU 93 25.750 26.007 2.453 437 HD12 LEU 93 2HD1 LEU 93 24.108 25.482 2.824 438 HD13 LEU 93 3HD1 LEU 93 24.699 27.028 3.434 439 HD21 LEU 93 3HD2 LEU 93 26.115 26.946 0.322 440 HD22 LEU 93 1HD2 LEU 93 25.874 28.403 1.286 441 HD23 LEU 93 2HD2 LEU 93 25.036 28.216 -0.255 442 H ASN 94 HN ASN 94 20.671 25.354 -0.320 443 HA ASN 94 HA ASN 94 21.059 23.308 -2.288 444 HB2 ASN 94 2HB ASN 94 19.504 23.145 -0.324 445 HB3 ASN 94 1HB ASN 94 18.429 24.278 -1.141 446 HD21 ASN 94 1HD2 ASN 94 17.266 21.866 -0.681 447 HD22 ASN 94 2HD2 ASN 94 17.211 20.914 -2.085 448 H GLY 95 HN GLY 95 20.696 23.352 -4.462 449 HA2 GLY 95 2HA GLY 95 19.591 23.995 -6.482 450 HA3 GLY 95 1HA GLY 95 18.782 25.290 -5.598 451 H THR 96 HN THR 96 22.237 24.819 -5.306 452 HA THR 96 HA THR 96 22.650 27.240 -7.016 453 HB THR 96 HB THR 96 24.291 28.055 -5.463 454 HG1 THR 96 1HG THR 96 24.756 26.788 -3.578 455 HG21 THR 96 3HG2 THR 96 22.729 27.561 -3.222 456 HG22 THR 96 1HG2 THR 96 21.600 27.362 -4.562 457 HG23 THR 96 2HG2 THR 96 22.490 28.873 -4.377 458 H GLN 97 HN GLN 97 24.493 27.206 -8.337 459 HA GLN 97 HA GLN 97 25.996 24.618 -8.363 460 HB2 GLN 97 2HB GLN 97 24.454 25.001 -10.326 461 HB3 GLN 97 1HB GLN 97 25.434 26.407 -10.744 462 HG2 GLN 97 2HG GLN 97 27.443 24.910 -10.835 463 HG3 GLN 97 1HG GLN 97 26.378 23.530 -10.570 464 HE21 GLN 97 1HE2 GLN 97 27.815 23.564 -12.956 465 HE22 GLN 97 2HE2 GLN 97 26.783 23.912 -14.258 466 H VAL 98 HN VAL 98 28.243 24.761 -8.538 467 HA VAL 98 HA VAL 98 29.396 27.403 -7.951 468 HB VAL 98 HB VAL 98 31.121 25.011 -8.433 469 HG11 VAL 98 1HG1 VAL 98 31.368 26.455 -5.918 470 HG12 VAL 98 2HG1 VAL 98 31.397 27.554 -7.296 471 HG13 VAL 98 3HG1 VAL 98 32.561 26.233 -7.198 472 HG21 VAL 98 3HG2 VAL 98 29.486 23.835 -7.233 473 HG22 VAL 98 1HG2 VAL 98 29.023 25.251 -6.289 474 HG23 VAL 98 2HG2 VAL 98 30.541 24.421 -5.947 475 H GLU 99 HN GLU 99 31.951 26.850 -9.264 476 HA GLU 99 HA GLU 99 31.519 28.152 -11.750 477 HB2 GLU 99 2HB GLU 99 33.836 26.433 -10.816 478 HB3 GLU 99 1HB GLU 99 33.863 27.418 -12.279 479 HG2 GLU 99 2HG GLU 99 33.361 29.428 -10.882 480 HG3 GLU 99 1HG GLU 99 33.471 28.416 -9.441 481 H SER 100 HN SER 100 31.887 24.699 -10.976 482 HA SER 100 HA SER 100 30.471 24.028 -13.469 483 HG SER 100 HG SER 100 31.375 21.807 -14.127 484 HB2 SER 100 2HB SER 100 32.620 23.978 -14.431 485 HB3 SER 100 1HB SER 100 33.364 23.350 -12.960 486 H VAL 101 HN VAL 101 30.223 23.745 -10.459 487 HA VAL 101 HA VAL 101 29.649 20.820 -10.486 488 HB VAL 101 HB VAL 101 30.939 22.316 -8.183 489 HG11 VAL 101 1HG1 VAL 101 29.647 20.623 -7.199 490 HG12 VAL 101 2HG1 VAL 101 31.201 19.823 -7.434 491 HG13 VAL 101 3HG1 VAL 101 29.877 19.525 -8.560 492 HG21 VAL 101 3HG2 VAL 101 32.019 20.329 -10.197 493 HG22 VAL 101 1HG2 VAL 101 32.843 20.713 -8.686 494 HG23 VAL 101 2HG2 VAL 101 32.591 21.970 -9.897 495 H GLN 102 HN GLN 102 28.115 20.265 -8.624 496 HA GLN 102 HA GLN 102 26.297 22.579 -8.076 497 HB2 GLN 102 2HB GLN 102 25.565 19.704 -8.714 498 HB3 GLN 102 1HB GLN 102 24.415 20.937 -8.195 499 HG2 GLN 102 2HG GLN 102 24.979 22.309 -10.156 500 HG3 GLN 102 1HG GLN 102 26.168 21.110 -10.667 501 HE21 GLN 102 1HE2 GLN 102 24.013 21.751 -12.392 502 HE22 GLN 102 2HE2 GLN 102 22.956 20.425 -12.478 503 H LEU 103 HN LEU 103 25.269 22.547 -6.002 504 HA LEU 103 HA LEU 103 26.470 20.579 -4.093 505 HG LEU 103 HG LEU 103 27.667 21.099 -2.681 506 HB2 LEU 103 2HB LEU 103 26.618 23.418 -4.092 507 HB3 LEU 103 1HB LEU 103 25.570 22.952 -2.751 508 HD11 LEU 103 1HD1 LEU 103 28.967 23.794 -2.736 509 HD12 LEU 103 2HD1 LEU 103 28.699 22.961 -4.267 510 HD13 LEU 103 3HD1 LEU 103 29.677 22.203 -3.010 511 HD21 LEU 103 3HD2 LEU 103 26.463 22.204 -0.782 512 HD22 LEU 103 1HD2 LEU 103 27.392 23.670 -1.095 513 HD23 LEU 103 2HD2 LEU 103 28.215 22.199 -0.577 514 H LYS 104 HN LYS 104 24.966 19.258 -3.222 515 HA LYS 104 HA LYS 104 22.128 20.186 -3.178 516 HB2 LYS 104 2HB LYS 104 23.250 17.372 -2.977 517 HB3 LYS 104 1HB LYS 104 21.540 17.800 -3.041 518 HG2 LYS 104 2HG LYS 104 21.906 18.839 -5.268 519 HG3 LYS 104 1HG LYS 104 23.597 18.344 -5.205 520 HD2 LYS 104 2HD LYS 104 22.897 15.980 -5.045 521 HD3 LYS 104 1HD LYS 104 21.206 16.477 -5.112 522 HE2 LYS 104 2HE LYS 104 22.382 17.753 -7.302 523 HE3 LYS 104 1HE LYS 104 23.121 16.152 -7.286 524 HZ1 LYS 104 3HZ LYS 104 20.200 16.594 -7.054 525 HZ2 LYS 104 1HZ LYS 104 21.006 15.128 -7.332 526 HZ3 LYS 104 2HZ LYS 104 20.984 16.325 -8.537 527 H VAL 105 HN VAL 105 21.158 20.497 -1.211 528 HA VAL 105 HA VAL 105 22.711 19.663 1.204 529 HB VAL 105 HB VAL 105 20.606 21.835 1.045 530 HG11 VAL 105 1HG1 VAL 105 22.844 21.621 3.040 531 HG12 VAL 105 2HG1 VAL 105 21.392 20.643 3.253 532 HG13 VAL 105 3HG1 VAL 105 21.272 22.402 3.213 533 HG21 VAL 105 3HG2 VAL 105 22.122 23.148 0.024 534 HG22 VAL 105 1HG2 VAL 105 23.277 21.815 -0.010 535 HG23 VAL 105 2HG2 VAL 105 23.223 22.901 1.379 536 H ASN 106 HN ASN 106 21.679 18.434 2.761 537 HA ASN 106 HA ASN 106 18.764 17.916 2.410 538 HB2 ASN 106 2HB ASN 106 20.934 15.823 2.744 539 HB3 ASN 106 1HB ASN 106 19.206 15.492 2.862 540 HD21 ASN 106 1HD2 ASN 106 20.740 14.225 0.839 541 HD22 ASN 106 2HD2 ASN 106 20.294 14.856 -0.672 542 H ILE 107 HN ILE 107 18.302 16.225 4.476 543 HA ILE 107 HA ILE 107 19.240 17.809 6.827 544 HB ILE 107 HB ILE 107 16.833 15.975 6.638 545 HG12 ILE 107 1HG1 ILE 107 16.443 17.789 5.115 546 HG13 ILE 107 2HG1 ILE 107 15.574 18.186 6.598 547 HG21 ILE 107 1HG2 ILE 107 17.853 17.955 8.684 548 HG22 ILE 107 2HG2 ILE 107 17.479 16.248 8.918 549 HG23 ILE 107 3HG2 ILE 107 16.176 17.409 8.662 550 HD11 ILE 107 3HD1 ILE 107 17.521 19.568 7.323 551 HD12 ILE 107 1HD1 ILE 107 16.802 20.154 5.824 552 HD13 ILE 107 2HD1 ILE 107 18.303 19.230 5.779 553 H ALA 108 HN ALA 108 20.486 16.794 8.339 554 HA ALA 108 HA ALA 108 20.981 13.884 7.969 555 HB1 ALA 108 1HB ALA 108 22.778 15.879 8.221 556 HB2 ALA 108 2HB ALA 108 23.100 14.238 8.783 557 HB3 ALA 108 3HB ALA 108 22.567 15.473 9.924 558 H ARG 109 HN ARG 109 20.888 12.459 9.804 559 HA ARG 109 HA ARG 109 18.999 13.410 11.895 560 HE ARG 109 HE ARG 109 16.511 10.712 8.433 561 HB2 ARG 109 2HB ARG 109 19.875 10.616 11.105 562 HB3 ARG 109 1HB ARG 109 18.721 10.980 12.388 563 HG2 ARG 109 2HG ARG 109 17.316 12.189 10.690 564 HG3 ARG 109 1HG ARG 109 18.424 11.625 9.440 565 HD2 ARG 109 2HD ARG 109 17.971 9.261 10.304 566 HD3 ARG 109 1HD ARG 109 16.644 9.961 11.232 567 HH11 ARG 109 1HH1 ARG 109 16.204 7.980 10.490 568 HH12 ARG 109 2HH1 ARG 109 14.792 7.365 9.696 569 HH21 ARG 109 1HH2 ARG 109 14.541 10.038 7.500 570 HH22 ARG 109 2HH2 ARG 109 13.851 8.531 8.003 571 H LYS 110 HN LYS 110 22.187 13.492 11.585 572 HA LYS 110 HA LYS 110 22.966 12.177 14.097 573 HB2 LYS 110 2HB LYS 110 24.517 13.974 12.206 574 HB3 LYS 110 1HB LYS 110 25.209 13.123 13.587 575 HG2 LYS 110 2HG LYS 110 24.466 10.965 12.591 576 HG3 LYS 110 1HG LYS 110 23.868 11.845 11.185 577 HD2 LYS 110 2HD LYS 110 26.148 12.703 10.759 578 HD3 LYS 110 1HD LYS 110 26.742 11.808 12.158 579 HE2 LYS 110 2HE LYS 110 26.290 9.706 11.134 580 HE3 LYS 110 1HE LYS 110 25.291 10.446 9.883 581 HZ1 LYS 110 3HZ LYS 110 27.491 9.865 9.054 582 HZ2 LYS 110 1HZ LYS 110 28.212 10.861 10.223 583 HZ3 LYS 110 2HZ LYS 110 27.244 11.546 9.006 584 H GLN 111 HN GLN 111 24.307 13.622 15.670 585 HA GLN 111 HA GLN 111 24.452 15.530 17.049 586 HB2 GLN 111 2HB GLN 111 24.216 16.719 14.735 587 HB3 GLN 111 1HB GLN 111 22.542 16.976 15.224 588 HG2 GLN 111 2HG GLN 111 24.066 18.874 15.840 589 HG3 GLN 111 1HG GLN 111 23.251 18.152 17.227 590 HE21 GLN 111 1HE2 GLN 111 26.378 18.511 15.608 591 HE22 GLN 111 2HE2 GLN 111 27.308 17.855 16.867 592 HA PRO 112 HA PRO 112 19.970 14.268 18.158 593 HB2 PRO 112 2HB PRO 112 20.516 12.182 19.780 594 HB3 PRO 112 1HB PRO 112 20.241 11.998 18.047 595 HG2 PRO 112 2HG PRO 112 22.814 12.061 19.567 596 HG3 PRO 112 1HG PRO 112 22.347 11.033 18.210 597 HD2 PRO 112 1HD PRO 112 23.938 13.228 17.933 598 HD3 PRO 112 2HD PRO 112 22.886 12.632 16.649 599 H MET 113 HN MET 113 22.978 14.802 19.825 600 HA MET 113 HA MET 113 22.324 14.875 22.507 601 HB2 MET 113 2HB MET 113 23.738 17.130 22.457 602 HB3 MET 113 1HB MET 113 24.501 15.571 22.144 603 HG2 MET 113 2HG MET 113 24.920 16.096 19.981 604 HG3 MET 113 1HG MET 113 23.305 16.763 19.746 605 HE1 MET 113 3HE MET 113 22.949 18.520 19.036 606 HE2 MET 113 1HE MET 113 24.335 19.379 18.349 607 HE3 MET 113 2HE MET 113 23.381 20.122 19.630 608 H LEU 114 HN LEU 114 21.095 16.970 19.990 609 HA LEU 114 HA LEU 114 19.102 18.019 21.873 610 HG LEU 114 HG LEU 114 20.044 21.372 22.484 611 HB2 LEU 114 2HB LEU 114 21.370 19.495 21.678 612 HB3 LEU 114 1HB LEU 114 20.453 20.164 20.329 613 HD11 LEU 114 1HD1 LEU 114 17.664 21.507 22.208 614 HD12 LEU 114 2HD1 LEU 114 17.584 19.869 21.560 615 HD13 LEU 114 3HD1 LEU 114 18.331 21.156 20.614 616 HD21 LEU 114 3HD2 LEU 114 18.310 19.257 23.548 617 HD22 LEU 114 1HD2 LEU 114 19.469 20.288 24.388 618 HD23 LEU 114 2HD2 LEU 114 20.020 18.828 23.566 619 H ASP 115 HN ASP 115 19.457 16.507 19.224 620 HA ASP 115 HA ASP 115 18.496 16.513 17.057 621 HB2 ASP 115 2HB ASP 115 16.258 17.643 18.767 622 HB3 ASP 115 1HB ASP 115 16.051 16.943 17.161 623 H ALA 116 HN ALA 116 20.131 18.728 17.272 624 HA ALA 116 HA ALA 116 20.488 20.698 16.010 625 HB1 ALA 116 1HB ALA 116 17.742 21.299 15.288 626 HB2 ALA 116 2HB ALA 116 18.161 19.640 14.858 627 HB3 ALA 116 3HB ALA 116 19.124 20.981 14.238 628 H ALA 117 HN ALA 117 17.125 21.209 17.054 629 HA ALA 117 HA ALA 117 17.912 22.741 19.386 630 HB1 ALA 117 1HB ALA 117 17.751 24.896 18.623 631 HB2 ALA 117 2HB ALA 117 16.541 24.482 17.408 632 HB3 ALA 117 3HB ALA 117 18.247 24.146 17.105 633 H THR 118 HN THR 118 15.505 24.496 19.090 634 HA THR 118 HA THR 118 13.384 22.396 19.298 635 HB THR 118 HB THR 118 14.172 23.280 21.540 636 HG1 THR 118 1HG THR 118 12.166 22.502 21.602 637 HG21 THR 118 3HG2 THR 118 14.594 25.602 20.731 638 HG22 THR 118 1HG2 THR 118 13.549 25.555 22.151 639 HG23 THR 118 2HG2 THR 118 12.854 25.823 20.552 640 H GLY 119 HN GLY 119 11.223 23.176 18.780 641 HA2 GLY 119 1HA GLY 119 10.498 25.770 18.015 642 HA3 GLY 119 2HA GLY 119 11.197 25.035 16.572 643 H LYS 120 HN LYS 120 8.745 25.530 16.025 644 HA LYS 120 HA LYS 120 6.656 23.916 17.052 645 HB2 LYS 120 2HB LYS 120 7.048 24.959 14.230 646 HB3 LYS 120 1HB LYS 120 5.531 24.330 14.874 647 HG2 LYS 120 2HG LYS 120 5.684 26.082 16.692 648 HG3 LYS 120 1HG LYS 120 7.050 26.776 15.819 649 HD2 LYS 120 2HD LYS 120 4.285 26.354 14.644 650 HD3 LYS 120 1HD LYS 120 4.892 27.893 15.253 651 HE2 LYS 120 2HE LYS 120 6.136 28.258 13.394 652 HE3 LYS 120 1HE LYS 120 6.726 26.597 13.364 653 HZ1 LYS 120 3HZ LYS 120 5.232 26.059 11.837 654 HZ2 LYS 120 1HZ LYS 120 4.852 27.706 11.690 655 HZ3 LYS 120 2HZ LYS 120 3.955 26.719 12.744 656 H SER 121 HN SER 121 9.113 23.221 14.603 657 HA SER 121 HA SER 121 9.711 21.196 13.580 658 HG SER 121 HG SER 121 8.571 18.289 15.733 659 HB2 SER 121 2HB SER 121 10.161 20.061 15.523 660 HB3 SER 121 1HB SER 121 8.590 20.438 16.229 Start of MODEL 2 1 H ALA 35 HN ALA 35 22.917 25.698 29.796 2 HA ALA 35 HA ALA 35 23.938 23.586 29.891 3 HB1 ALA 35 1HB ALA 35 22.594 22.697 31.544 4 HB2 ALA 35 2HB ALA 35 22.119 21.647 30.208 5 HB3 ALA 35 3HB ALA 35 21.107 23.021 30.654 6 HA PRO 36 HA PRO 36 21.719 21.383 26.177 7 HB2 PRO 36 2HB PRO 36 19.428 22.487 25.263 8 HB3 PRO 36 1HB PRO 36 19.462 21.262 26.534 9 HG2 PRO 36 2HG PRO 36 19.204 24.235 26.772 10 HG3 PRO 36 1HG PRO 36 18.325 22.970 27.636 11 HD2 PRO 36 2HD PRO 36 20.399 24.305 28.752 12 HD3 PRO 36 1HD PRO 36 20.047 22.619 29.136 13 H ARG 37 HN ARG 37 22.279 21.803 24.031 14 HA ARG 37 HA ARG 37 22.514 24.677 23.243 15 HE ARG 37 HE ARG 37 27.176 23.422 26.071 16 HB2 ARG 37 2HB ARG 37 24.540 22.472 22.749 17 HB3 ARG 37 1HB ARG 37 24.648 24.113 22.108 18 HG2 ARG 37 2HG ARG 37 24.638 24.992 24.436 19 HG3 ARG 37 1HG ARG 37 24.613 23.335 25.041 20 HD2 ARG 37 2HD ARG 37 26.742 22.922 23.746 21 HD3 ARG 37 1HD ARG 37 26.792 24.650 23.395 22 HH11 ARG 37 1HH1 ARG 37 28.382 25.658 23.957 23 HH12 ARG 37 2HH1 ARG 37 28.512 26.960 25.092 24 HH21 ARG 37 1HH2 ARG 37 26.731 25.321 27.576 25 HH22 ARG 37 2HH2 ARG 37 27.578 26.768 27.143 26 H LYS 38 HN LYS 38 21.740 25.110 21.205 27 HA LYS 38 HA LYS 38 20.317 23.021 19.780 28 HB2 LYS 38 2HB LYS 38 21.022 25.821 18.848 29 HB3 LYS 38 1HB LYS 38 19.773 24.776 18.171 30 HG2 LYS 38 2HG LYS 38 18.578 24.799 20.329 31 HG3 LYS 38 1HG LYS 38 19.830 25.836 21.014 32 HD2 LYS 38 2HD LYS 38 19.314 27.562 19.311 33 HD3 LYS 38 1HD LYS 38 18.041 26.528 18.662 34 HE2 LYS 38 2HE LYS 38 16.829 26.618 20.774 35 HE3 LYS 38 1HE LYS 38 18.143 27.525 21.525 36 HZ1 LYS 38 3HZ LYS 38 17.140 28.686 19.083 37 HZ2 LYS 38 1HZ LYS 38 17.483 29.420 20.572 38 HZ3 LYS 38 2HZ LYS 38 15.997 28.630 20.340 39 H GLY 39 HN GLY 39 20.826 23.389 17.121 40 HA2 GLY 39 2HA GLY 39 23.261 23.655 15.985 41 HA3 GLY 39 1HA GLY 39 23.487 22.144 16.862 42 H ASN 40 HN ASN 40 21.432 23.703 14.402 43 HA ASN 40 HA ASN 40 20.178 21.210 13.601 44 HB2 ASN 40 2HB ASN 40 19.238 23.542 13.200 45 HB3 ASN 40 1HB ASN 40 20.446 23.720 11.928 46 HD21 ASN 40 1HD2 ASN 40 18.140 23.872 10.732 47 HD22 ASN 40 2HD2 ASN 40 17.576 22.405 10.092 48 H THR 41 HN THR 41 21.182 19.627 12.462 49 HA THR 41 HA THR 41 23.768 20.176 11.179 50 HB THR 41 HB THR 41 22.155 17.611 11.327 51 HG1 THR 41 1HG THR 41 24.484 18.117 12.780 52 HG21 THR 41 3HG2 THR 41 24.145 18.134 9.578 53 HG22 THR 41 1HG2 THR 41 23.894 16.541 10.294 54 HG23 THR 41 2HG2 THR 41 25.102 17.633 10.973 55 H LEU 42 HN LEU 42 24.142 20.170 8.958 56 HA LEU 42 HA LEU 42 21.706 19.970 7.230 57 HG LEU 42 HG LEU 42 21.418 22.151 7.965 58 HB2 LEU 42 2HB LEU 42 24.158 21.719 6.857 59 HB3 LEU 42 1HB LEU 42 22.797 21.618 5.739 60 HD11 LEU 42 1HD1 LEU 42 23.013 24.054 9.009 61 HD12 LEU 42 2HD1 LEU 42 24.246 22.885 8.538 62 HD13 LEU 42 3HD1 LEU 42 22.961 22.411 9.648 63 HD21 LEU 42 3HD2 LEU 42 22.303 23.588 5.704 64 HD22 LEU 42 1HD2 LEU 42 22.580 24.652 7.083 65 HD23 LEU 42 2HD2 LEU 42 20.967 24.011 6.775 66 H TYR 43 HN TYR 43 21.982 18.914 5.203 67 HA TYR 43 HA TYR 43 24.385 17.157 5.100 68 HD1 TYR 43 HD1 TYR 43 24.118 14.316 4.625 69 HD2 TYR 43 HD2 TYR 43 22.339 16.647 1.486 70 HE1 TYR 43 HE1 TYR 43 25.123 12.806 2.933 71 HE2 TYR 43 HE2 TYR 43 23.343 15.136 -0.205 72 HH TYR 43 HH TYR 43 25.254 13.577 -0.370 73 HB2 TYR 43 2HB TYR 43 22.302 15.931 5.078 74 HB3 TYR 43 1HB TYR 43 21.660 16.950 3.790 75 H VAL 44 HN VAL 44 25.969 17.939 3.795 76 HA VAL 44 HA VAL 44 25.158 19.465 1.355 77 HB VAL 44 HB VAL 44 27.882 19.413 2.682 78 HG11 VAL 44 1HG1 VAL 44 27.855 20.109 0.323 79 HG12 VAL 44 2HG1 VAL 44 28.190 21.492 1.365 80 HG13 VAL 44 3HG1 VAL 44 26.582 21.279 0.673 81 HG21 VAL 44 3HG2 VAL 44 25.587 21.369 3.015 82 HG22 VAL 44 1HG2 VAL 44 27.224 21.630 3.615 83 HG23 VAL 44 2HG2 VAL 44 26.247 20.314 4.263 84 H TYR 45 HN TYR 45 25.826 18.718 -0.648 85 HA TYR 45 HA TYR 45 27.651 16.357 -0.691 86 HD1 TYR 45 HD1 TYR 45 26.969 13.626 -1.267 87 HD2 TYR 45 HD2 TYR 45 25.851 16.314 -4.426 88 HE1 TYR 45 HE1 TYR 45 27.885 12.041 -2.939 89 HE2 TYR 45 HE2 TYR 45 26.767 14.729 -6.099 90 HH TYR 45 HH TYR 45 27.281 11.667 -5.640 91 HB2 TYR 45 2HB TYR 45 25.380 15.486 -0.889 92 HB3 TYR 45 1HB TYR 45 25.021 16.637 -2.175 93 H GLY 46 HN GLY 46 29.211 16.528 -2.249 94 HA2 GLY 46 1HA GLY 46 28.848 17.818 -4.781 95 HA3 GLY 46 2HA GLY 46 29.659 18.927 -3.674 96 H GLU 47 HN GLU 47 31.431 18.616 -5.362 97 HA GLU 47 HA GLU 47 33.005 16.144 -4.751 98 HB2 GLU 47 2HB GLU 47 33.135 17.879 -7.237 99 HB3 GLU 47 1HB GLU 47 34.035 16.388 -6.958 100 HG2 GLU 47 2HG GLU 47 31.898 15.146 -6.781 101 HG3 GLU 47 1HG GLU 47 31.014 16.638 -7.101 102 H ASP 48 HN ASP 48 35.359 16.465 -4.634 103 HA ASP 48 HA ASP 48 37.144 17.584 -3.571 104 HB2 ASP 48 2HB ASP 48 37.246 18.400 -5.935 105 HB3 ASP 48 1HB ASP 48 36.250 19.778 -5.466 106 H MET 49 HN MET 49 34.767 17.765 -2.061 107 HA MET 49 HA MET 49 34.231 20.519 -1.319 108 HB2 MET 49 2HB MET 49 33.676 18.060 0.350 109 HB3 MET 49 1HB MET 49 32.829 19.605 0.392 110 HG2 MET 49 2HG MET 49 31.936 19.239 -1.835 111 HG3 MET 49 1HG MET 49 32.903 17.777 -2.026 112 HE1 MET 49 3HE MET 49 30.786 19.695 0.168 113 HE2 MET 49 1HE MET 49 29.950 18.571 1.247 114 HE3 MET 49 2HE MET 49 29.249 18.982 -0.316 115 H THR 50 HN THR 50 35.146 21.706 0.348 116 HA THR 50 HA THR 50 37.300 20.355 1.926 117 HB THR 50 HB THR 50 38.390 22.706 1.872 118 HG1 THR 50 1HG THR 50 37.685 23.494 -0.422 119 HG21 THR 50 3HG2 THR 50 38.221 21.033 -0.651 120 HG22 THR 50 1HG2 THR 50 39.313 20.750 0.705 121 HG23 THR 50 2HG2 THR 50 39.492 22.200 -0.281 122 HA PRO 51 HA PRO 51 35.426 22.033 5.572 123 HB2 PRO 51 2HB PRO 51 37.557 22.777 7.057 124 HB3 PRO 51 1HB PRO 51 37.117 21.088 6.788 125 HG2 PRO 51 2HG PRO 51 39.208 22.745 5.428 126 HG3 PRO 51 1HG PRO 51 39.308 21.075 5.995 127 HD2 PRO 51 1HD PRO 51 38.897 21.695 3.391 128 HD3 PRO 51 2HD PRO 51 38.225 20.243 4.132 129 H THR 52 HN THR 52 38.170 24.124 4.584 130 HA THR 52 HA THR 52 37.133 26.509 5.751 131 HB THR 52 HB THR 52 38.876 26.289 3.278 132 HG1 THR 52 1HG THR 52 39.341 25.907 5.994 133 HG21 THR 52 3HG2 THR 52 38.048 28.538 3.620 134 HG22 THR 52 1HG2 THR 52 39.734 28.488 4.135 135 HG23 THR 52 2HG2 THR 52 38.444 28.467 5.338 136 H LEU 53 HN LEU 53 36.714 25.105 2.511 137 HA LEU 53 HA LEU 53 35.206 27.303 1.437 138 HG LEU 53 HG LEU 53 33.300 26.068 -0.165 139 HB2 LEU 53 2HB LEU 53 36.259 25.521 0.045 140 HB3 LEU 53 1HB LEU 53 35.077 24.371 0.667 141 HD11 LEU 53 1HD1 LEU 53 35.818 27.029 -1.533 142 HD12 LEU 53 2HD1 LEU 53 34.631 27.981 -0.640 143 HD13 LEU 53 3HD1 LEU 53 34.218 27.313 -2.219 144 HD21 LEU 53 3HD2 LEU 53 33.525 23.947 -1.260 145 HD22 LEU 53 1HD2 LEU 53 35.055 24.419 -2.000 146 HD23 LEU 53 2HD2 LEU 53 33.551 25.164 -2.536 147 H LEU 54 HN LEU 54 34.201 24.218 2.938 148 HA LEU 54 HA LEU 54 31.400 24.613 2.716 149 HG LEU 54 HG LEU 54 32.857 22.526 2.250 150 HB2 LEU 54 2HB LEU 54 33.025 23.174 4.833 151 HB3 LEU 54 1HB LEU 54 31.267 23.085 4.720 152 HD11 LEU 54 1HD1 LEU 54 33.859 21.280 4.300 153 HD12 LEU 54 2HD1 LEU 54 33.435 20.328 2.877 154 HD13 LEU 54 3HD1 LEU 54 32.361 20.349 4.275 155 HD21 LEU 54 3HD2 LEU 54 30.699 22.141 1.670 156 HD22 LEU 54 1HD2 LEU 54 30.176 22.055 3.353 157 HD23 LEU 54 2HD2 LEU 54 30.869 20.634 2.572 158 H ARG 55 HN ARG 55 33.641 25.546 5.336 159 HA ARG 55 HA ARG 55 31.733 26.691 7.083 160 HE ARG 55 HE ARG 55 35.102 24.395 9.927 161 HB2 ARG 55 2HB ARG 55 34.615 27.466 6.551 162 HB3 ARG 55 1HB ARG 55 33.657 28.110 7.884 163 HG2 ARG 55 2HG ARG 55 33.274 25.789 8.694 164 HG3 ARG 55 1HG ARG 55 34.305 25.186 7.395 165 HD2 ARG 55 2HD ARG 55 36.153 26.649 8.293 166 HD3 ARG 55 1HD ARG 55 35.116 27.017 9.671 167 HH11 ARG 55 1HH1 ARG 55 37.513 26.446 10.595 168 HH12 ARG 55 2HH1 ARG 55 38.832 25.355 10.329 169 HH21 ARG 55 1HH2 ARG 55 36.871 22.939 8.797 170 HH22 ARG 55 2HH2 ARG 55 38.469 23.370 9.312 171 H GLY 56 HN GLY 56 33.334 28.044 4.227 172 HA2 GLY 56 2HA GLY 56 32.371 30.733 4.594 173 HA3 GLY 56 1HA GLY 56 32.948 30.055 3.072 174 H ALA 57 HN ALA 57 31.010 27.843 3.097 175 HA ALA 57 HA ALA 57 28.801 29.231 1.827 176 HB1 ALA 57 1HB ALA 57 29.669 26.438 2.215 177 HB2 ALA 57 2HB ALA 57 28.918 27.198 0.813 178 HB3 ALA 57 3HB ALA 57 27.921 26.653 2.161 179 H PHE 58 HN PHE 58 29.442 28.034 5.028 180 HA PHE 58 HA PHE 58 26.610 28.656 5.776 181 HD1 PHE 58 HD1 PHE 58 24.932 26.382 6.440 182 HD2 PHE 58 HD2 PHE 58 28.881 25.377 5.080 183 HE1 PHE 58 HE1 PHE 58 23.972 24.691 4.903 184 HE2 PHE 58 HE2 PHE 58 27.920 23.685 3.541 185 HZ PHE 58 HZ PHE 58 25.466 23.342 3.453 186 HB2 PHE 58 2HB PHE 58 28.553 26.722 7.078 187 HB3 PHE 58 1HB PHE 58 26.938 27.091 7.681 188 H SER 59 HN SER 59 29.510 30.044 5.772 189 HA SER 59 HA SER 59 29.848 30.791 8.556 190 HG SER 59 HG SER 59 32.184 33.248 7.189 191 HB2 SER 59 2HB SER 59 31.847 31.075 7.453 192 HB3 SER 59 1HB SER 59 31.066 31.558 5.946 193 HA PRO 60 HA PRO 60 27.859 34.976 7.103 194 HB2 PRO 60 2HB PRO 60 26.689 35.020 4.667 195 HB3 PRO 60 1HB PRO 60 28.388 35.427 4.926 196 HG2 PRO 60 2HG PRO 60 27.175 32.866 3.958 197 HG3 PRO 60 1HG PRO 60 28.605 33.714 3.360 198 HD2 PRO 60 2HD PRO 60 28.781 31.568 4.998 199 HD3 PRO 60 1HD PRO 60 29.959 32.880 5.037 200 H PHE 61 HN PHE 61 26.302 31.993 5.976 201 HA PHE 61 HA PHE 61 23.598 32.885 6.270 202 HD1 PHE 61 HD1 PHE 61 26.007 30.678 4.249 203 HD2 PHE 61 HD2 PHE 61 21.757 31.127 4.693 204 HE1 PHE 61 HE1 PHE 61 25.766 30.845 1.786 205 HE2 PHE 61 HE2 PHE 61 21.518 31.294 2.230 206 HZ PHE 61 HZ PHE 61 23.522 31.152 0.777 207 HB2 PHE 61 2HB PHE 61 24.879 30.149 6.366 208 HB3 PHE 61 1HB PHE 61 23.141 30.374 6.552 209 H GLY 62 HN GLY 62 25.958 31.640 8.574 210 HA2 GLY 62 1HA GLY 62 24.775 32.783 10.843 211 HA3 GLY 62 2HA GLY 62 24.083 31.167 10.714 212 H ASN 63 HN ASN 63 25.406 31.261 12.916 213 HA ASN 63 HA ASN 63 28.283 30.718 12.510 214 HB2 ASN 63 2HB ASN 63 26.579 30.777 15.021 215 HB3 ASN 63 1HB ASN 63 28.327 30.539 14.995 216 HD21 ASN 63 1HD2 ASN 63 27.145 32.797 16.319 217 HD22 ASN 63 2HD2 ASN 63 27.584 34.202 15.473 218 H ILE 64 HN ILE 64 29.229 28.681 12.877 219 HA ILE 64 HA ILE 64 27.293 26.410 12.936 220 HB ILE 64 HB ILE 64 30.177 26.477 11.996 221 HG12 ILE 64 2HG1 ILE 64 27.655 26.206 10.343 222 HG13 ILE 64 1HG1 ILE 64 28.460 27.752 10.613 223 HG21 ILE 64 1HG2 ILE 64 28.053 24.326 11.745 224 HG22 ILE 64 2HG2 ILE 64 29.409 24.278 12.871 225 HG23 ILE 64 3HG2 ILE 64 29.704 24.233 11.134 226 HD11 ILE 64 3HD1 ILE 64 29.236 25.517 8.866 227 HD12 ILE 64 1HD1 ILE 64 30.556 26.126 9.864 228 HD13 ILE 64 2HD1 ILE 64 29.692 27.218 8.783 229 H ILE 65 HN ILE 65 27.326 25.043 14.669 230 HA ILE 65 HA ILE 65 29.301 25.580 16.808 231 HB ILE 65 HB ILE 65 27.850 24.251 18.227 232 HG12 ILE 65 2HG1 ILE 65 26.321 23.599 15.690 233 HG13 ILE 65 1HG1 ILE 65 27.368 22.478 16.558 234 HG21 ILE 65 1HG2 ILE 65 27.026 26.471 17.979 235 HG22 ILE 65 2HG2 ILE 65 25.619 25.431 17.749 236 HG23 ILE 65 3HG2 ILE 65 26.425 26.146 16.353 237 HD11 ILE 65 3HD1 ILE 65 25.865 23.091 18.619 238 HD12 ILE 65 1HD1 ILE 65 25.259 21.944 17.426 239 HD13 ILE 65 2HD1 ILE 65 24.714 23.621 17.393 240 H ASP 66 HN ASP 66 28.597 23.226 14.356 241 HA ASP 66 HA ASP 66 31.011 21.718 15.153 242 HB2 ASP 66 2HB ASP 66 29.012 20.645 16.289 243 HB3 ASP 66 1HB ASP 66 28.383 20.287 14.680 244 H LEU 67 HN LEU 67 32.163 21.698 13.285 245 HA LEU 67 HA LEU 67 30.675 21.550 10.703 246 HG LEU 67 HG LEU 67 33.187 23.403 8.903 247 HB2 LEU 67 2HB LEU 67 32.453 23.386 11.281 248 HB3 LEU 67 1HB LEU 67 33.623 22.112 10.939 249 HD11 LEU 67 1HD1 LEU 67 31.650 20.871 8.449 250 HD12 LEU 67 2HD1 LEU 67 33.318 20.756 9.010 251 HD13 LEU 67 3HD1 LEU 67 32.952 21.575 7.491 252 HD21 LEU 67 3HD2 LEU 67 30.856 24.087 9.667 253 HD22 LEU 67 1HD2 LEU 67 30.307 22.499 9.131 254 HD23 LEU 67 2HD2 LEU 67 30.991 23.634 7.967 255 H SER 68 HN SER 68 30.526 19.507 9.907 256 HA SER 68 HA SER 68 32.862 17.683 10.332 257 HG SER 68 HG SER 68 30.675 15.005 9.775 258 HB2 SER 68 2HB SER 68 30.828 16.941 11.542 259 HB3 SER 68 1HB SER 68 29.936 16.938 10.020 260 H MET 69 HN MET 69 33.466 16.372 8.530 261 HA MET 69 HA MET 69 32.179 17.126 5.938 262 HB2 MET 69 2HB MET 69 35.127 16.912 6.599 263 HB3 MET 69 1HB MET 69 34.515 16.925 4.945 264 HG2 MET 69 2HG MET 69 33.343 19.097 5.489 265 HG3 MET 69 1HG MET 69 34.198 19.101 7.031 266 HE1 MET 69 3HE MET 69 35.809 19.459 2.800 267 HE2 MET 69 1HE MET 69 34.321 18.704 3.388 268 HE3 MET 69 2HE MET 69 35.849 17.829 3.468 269 H ASP 70 HN ASP 70 32.126 15.441 4.367 270 HA ASP 70 HA ASP 70 32.974 12.754 5.369 271 HB2 ASP 70 2HB ASP 70 30.325 13.661 4.911 272 HB3 ASP 70 1HB ASP 70 30.714 12.555 3.594 273 HA PRO 71 HA PRO 71 34.931 13.359 1.279 274 HB2 PRO 71 2HB PRO 71 37.110 11.861 1.817 275 HB3 PRO 71 1HB PRO 71 36.962 13.561 2.263 276 HG2 PRO 71 2HG PRO 71 36.698 11.129 3.949 277 HG3 PRO 71 1HG PRO 71 37.346 12.712 4.365 278 HD2 PRO 71 2HD PRO 71 34.823 11.825 5.066 279 HD3 PRO 71 1HD PRO 71 35.304 13.519 4.979 280 HA PRO 72 HA PRO 72 34.749 8.537 0.765 281 HB2 PRO 72 2HB PRO 72 33.167 7.186 2.476 282 HB3 PRO 72 1HB PRO 72 34.889 7.440 2.764 283 HG2 PRO 72 2HG PRO 72 32.538 8.836 3.947 284 HG3 PRO 72 1HG PRO 72 34.067 8.384 4.704 285 HD2 PRO 72 1HD PRO 72 33.462 10.917 3.846 286 HD3 PRO 72 2HD PRO 72 35.100 10.301 4.028 287 H ARG 73 HN ARG 73 32.040 10.490 1.806 288 HA ARG 73 HA ARG 73 30.327 9.095 -0.211 289 HE ARG 73 HE ARG 73 28.317 6.331 3.726 290 HB2 ARG 73 2HB ARG 73 29.535 10.673 2.256 291 HB3 ARG 73 1HB ARG 73 28.396 10.018 1.077 292 HG2 ARG 73 2HG ARG 73 29.335 7.738 1.516 293 HG3 ARG 73 1HG ARG 73 30.340 8.435 2.786 294 HD2 ARG 73 2HD ARG 73 28.204 9.315 3.840 295 HD3 ARG 73 1HD ARG 73 27.316 8.330 2.679 296 HH11 ARG 73 1HH1 ARG 73 27.503 8.934 5.632 297 HH12 ARG 73 2HH1 ARG 73 28.414 8.445 7.023 298 HH21 ARG 73 1HH2 ARG 73 30.049 5.869 5.374 299 HH22 ARG 73 2HH2 ARG 73 29.854 6.709 6.876 300 H ASN 74 HN ASN 74 32.218 11.741 0.083 301 HA ASN 74 HA ASN 74 32.298 13.790 -1.060 302 HB2 ASN 74 2HB ASN 74 30.068 12.490 -2.657 303 HB3 ASN 74 1HB ASN 74 30.943 13.946 -3.133 304 HD21 ASN 74 1HD2 ASN 74 30.962 11.486 -4.687 305 HD22 ASN 74 2HD2 ASN 74 32.554 10.894 -4.686 306 H CYS 75 HN CYS 75 30.840 13.788 1.329 307 HA CYS 75 HA CYS 75 28.925 15.966 0.761 308 HG CYS 75 HG CYS 75 27.523 12.400 2.891 309 HB2 CYS 75 2HB CYS 75 27.154 14.937 2.134 310 HB3 CYS 75 1HB CYS 75 27.536 13.920 0.746 311 H ALA 76 HN ALA 76 28.533 17.289 2.642 312 HA ALA 76 HA ALA 76 30.336 16.697 4.954 313 HB1 ALA 76 1HB ALA 76 29.797 19.461 3.836 314 HB2 ALA 76 2HB ALA 76 31.213 18.503 3.400 315 HB3 ALA 76 3HB ALA 76 30.974 19.016 5.071 316 H PHE 77 HN PHE 77 29.611 17.738 6.986 317 HA PHE 77 HA PHE 77 26.667 18.271 6.966 318 HD1 PHE 77 HD1 PHE 77 24.859 16.348 7.880 319 HD2 PHE 77 HD2 PHE 77 28.916 14.956 7.650 320 HE1 PHE 77 HE1 PHE 77 24.091 14.302 6.707 321 HE2 PHE 77 HE2 PHE 77 28.149 12.911 6.477 322 HZ PHE 77 HZ PHE 77 25.735 12.583 6.006 323 HB2 PHE 77 2HB PHE 77 28.351 16.834 9.036 324 HB3 PHE 77 1HB PHE 77 26.674 17.316 9.296 325 H VAL 78 HN VAL 78 25.999 20.120 8.020 326 HA VAL 78 HA VAL 78 28.091 21.630 9.538 327 HB VAL 78 HB VAL 78 25.946 22.819 7.760 328 HG11 VAL 78 1HG1 VAL 78 26.460 24.427 9.397 329 HG12 VAL 78 2HG1 VAL 78 27.563 24.837 8.084 330 HG13 VAL 78 3HG1 VAL 78 28.152 23.935 9.481 331 HG21 VAL 78 3HG2 VAL 78 28.562 23.417 6.842 332 HG22 VAL 78 1HG2 VAL 78 27.340 22.434 6.036 333 HG23 VAL 78 2HG2 VAL 78 28.508 21.676 7.118 334 H THR 79 HN THR 79 27.433 22.382 11.524 335 HA THR 79 HA THR 79 24.600 21.838 12.278 336 HB THR 79 HB THR 79 26.920 22.411 14.138 337 HG1 THR 79 1HG THR 79 27.396 20.566 12.961 338 HG21 THR 79 3HG2 THR 79 24.172 21.187 14.478 339 HG22 THR 79 1HG2 THR 79 24.765 22.690 15.185 340 HG23 THR 79 2HG2 THR 79 25.421 21.143 15.723 341 H TYR 80 HN TYR 80 23.265 23.558 12.615 342 HA TYR 80 HA TYR 80 24.525 26.258 12.827 343 HD1 TYR 80 HD1 TYR 80 24.694 27.848 11.883 344 HD2 TYR 80 HD2 TYR 80 22.110 25.673 9.227 345 HE1 TYR 80 HE1 TYR 80 25.862 28.838 9.933 346 HE2 TYR 80 HE2 TYR 80 23.279 26.664 7.279 347 HH TYR 80 HH TYR 80 25.853 29.081 7.716 348 HB2 TYR 80 2HB TYR 80 22.045 25.229 11.543 349 HB3 TYR 80 1HB TYR 80 21.942 26.821 12.293 350 H GLU 81 HN GLU 81 24.009 27.566 14.582 351 HA GLU 81 HA GLU 81 23.077 26.346 16.989 352 HB2 GLU 81 2HB GLU 81 24.490 28.450 16.794 353 HB3 GLU 81 1HB GLU 81 23.010 29.312 16.375 354 HG2 GLU 81 2HG GLU 81 21.993 28.498 18.515 355 HG3 GLU 81 1HG GLU 81 23.549 27.787 18.940 356 H LYS 82 HN LYS 82 21.393 27.857 14.345 357 HA LYS 82 HA LYS 82 18.827 27.351 15.783 358 HB2 LYS 82 2HB LYS 82 19.521 29.795 14.123 359 HB3 LYS 82 1HB LYS 82 17.905 29.415 14.721 360 HG2 LYS 82 2HG LYS 82 18.842 29.396 17.052 361 HG3 LYS 82 1HG LYS 82 20.381 29.950 16.390 362 HD2 LYS 82 2HD LYS 82 19.158 31.918 15.398 363 HD3 LYS 82 1HD LYS 82 17.718 31.396 16.273 364 HE2 LYS 82 2HE LYS 82 20.264 31.685 17.816 365 HE3 LYS 82 1HE LYS 82 19.420 33.157 17.334 366 HZ1 LYS 82 3HZ LYS 82 18.020 32.832 18.997 367 HZ2 LYS 82 1HZ LYS 82 18.785 31.376 19.413 368 HZ3 LYS 82 2HZ LYS 82 17.511 31.373 18.291 369 H MET 83 HN MET 83 17.172 26.546 14.445 370 HA MET 83 HA MET 83 17.987 25.179 12.057 371 HB2 MET 83 2HB MET 83 15.215 25.845 13.095 372 HB3 MET 83 1HB MET 83 15.548 24.726 11.774 373 HG2 MET 83 2HG MET 83 17.005 23.411 13.351 374 HG3 MET 83 1HG MET 83 16.457 24.464 14.655 375 HE1 MET 83 3HE MET 83 14.375 22.307 16.146 376 HE2 MET 83 1HE MET 83 16.077 22.646 15.807 377 HE3 MET 83 2HE MET 83 15.342 21.152 15.232 378 H GLU 84 HN GLU 84 16.973 28.416 12.632 379 HA GLU 84 HA GLU 84 15.843 28.962 10.030 380 HB2 GLU 84 2HB GLU 84 17.121 30.807 12.071 381 HB3 GLU 84 1HB GLU 84 16.241 31.351 10.643 382 HG2 GLU 84 2HG GLU 84 14.230 30.133 11.442 383 HG3 GLU 84 1HG GLU 84 15.114 29.649 12.888 384 H SER 85 HN SER 85 19.117 29.061 11.364 385 HA SER 85 HA SER 85 20.332 30.400 9.128 386 HG SER 85 HG SER 85 20.937 29.867 12.375 387 HB2 SER 85 2HB SER 85 21.620 28.395 11.003 388 HB3 SER 85 1HB SER 85 22.441 29.630 10.049 389 H ALA 86 HN ALA 86 19.460 27.055 9.760 390 HA ALA 86 HA ALA 86 20.984 26.015 7.493 391 HB1 ALA 86 1HB ALA 86 19.231 24.037 8.018 392 HB2 ALA 86 2HB ALA 86 19.129 24.915 9.544 393 HB3 ALA 86 3HB ALA 86 20.682 24.295 8.986 394 H ASP 87 HN ASP 87 17.625 26.954 8.127 395 HA ASP 87 HA ASP 87 16.505 25.980 5.690 396 HB2 ASP 87 2HB ASP 87 15.214 26.843 7.684 397 HB3 ASP 87 1HB ASP 87 15.652 28.476 7.183 398 H GLN 88 HN GLN 88 17.867 29.179 6.512 399 HA GLN 88 HA GLN 88 17.493 30.276 3.875 400 HB2 GLN 88 2HB GLN 88 17.881 31.640 5.946 401 HB3 GLN 88 1HB GLN 88 19.551 31.075 5.954 402 HG2 GLN 88 2HG GLN 88 19.897 32.047 3.715 403 HG3 GLN 88 1HG GLN 88 18.226 32.605 3.700 404 HE21 GLN 88 1HE2 GLN 88 20.056 34.617 3.441 405 HE22 GLN 88 2HE2 GLN 88 20.235 35.483 4.891 406 H ALA 89 HN ALA 89 20.199 28.606 5.463 407 HA ALA 89 HA ALA 89 22.010 28.930 3.228 408 HB1 ALA 89 1HB ALA 89 22.610 26.579 4.778 409 HB2 ALA 89 2HB ALA 89 22.139 27.886 5.863 410 HB3 ALA 89 3HB ALA 89 23.473 28.116 4.734 411 H VAL 90 HN VAL 90 19.748 26.386 4.244 412 HA VAL 90 HA VAL 90 20.527 24.475 2.247 413 HB VAL 90 HB VAL 90 17.905 24.871 3.716 414 HG11 VAL 90 1HG1 VAL 90 18.836 22.797 1.745 415 HG12 VAL 90 2HG1 VAL 90 17.269 23.599 1.851 416 HG13 VAL 90 3HG1 VAL 90 17.704 22.354 3.023 417 HG21 VAL 90 3HG2 VAL 90 20.427 23.943 4.556 418 HG22 VAL 90 1HG2 VAL 90 19.446 22.494 4.328 419 HG23 VAL 90 2HG2 VAL 90 18.896 23.769 5.414 420 H ALA 91 HN ALA 91 17.962 26.959 2.301 421 HA ALA 91 HA ALA 91 17.023 26.339 -0.362 422 HB1 ALA 91 1HB ALA 91 16.554 29.094 0.412 423 HB2 ALA 91 2HB ALA 91 16.201 28.003 1.751 424 HB3 ALA 91 3HB ALA 91 15.389 27.787 0.200 425 H GLU 92 HN GLU 92 19.435 28.564 0.954 426 HA GLU 92 HA GLU 92 19.877 29.841 -1.650 427 HB2 GLU 92 2HB GLU 92 20.319 30.657 0.915 428 HB3 GLU 92 1HB GLU 92 21.936 30.127 0.453 429 HG2 GLU 92 2HG GLU 92 20.228 32.029 -1.172 430 HG3 GLU 92 1HG GLU 92 21.517 32.532 -0.081 431 H LEU 93 HN LEU 93 21.738 27.654 0.486 432 HA LEU 93 HA LEU 93 23.901 27.289 -1.367 433 HG LEU 93 HG LEU 93 23.659 27.840 1.456 434 HB2 LEU 93 2HB LEU 93 22.899 25.496 0.866 435 HB3 LEU 93 1HB LEU 93 24.433 25.285 0.020 436 HD11 LEU 93 1HD1 LEU 93 25.777 26.330 2.714 437 HD12 LEU 93 2HD1 LEU 93 24.320 25.342 2.602 438 HD13 LEU 93 3HD1 LEU 93 24.264 26.907 3.415 439 HD21 LEU 93 3HD2 LEU 93 25.518 27.534 -0.454 440 HD22 LEU 93 1HD2 LEU 93 26.465 26.974 0.925 441 HD23 LEU 93 2HD2 LEU 93 25.772 28.596 0.931 442 H ASN 94 HN ASN 94 20.813 25.628 -0.909 443 HA ASN 94 HA ASN 94 21.418 23.455 -2.722 444 HB2 ASN 94 2HB ASN 94 19.611 23.402 -0.973 445 HB3 ASN 94 1HB ASN 94 18.694 24.537 -1.963 446 HD21 ASN 94 1HD2 ASN 94 17.259 22.347 -1.745 447 HD22 ASN 94 2HD2 ASN 94 17.427 21.280 -3.055 448 H GLY 95 HN GLY 95 21.333 23.463 -4.927 449 HA2 GLY 95 2HA GLY 95 20.554 24.115 -7.087 450 HA3 GLY 95 1HA GLY 95 19.657 25.436 -6.336 451 H THR 96 HN THR 96 23.055 24.830 -5.662 452 HA THR 96 HA THR 96 23.717 27.310 -7.202 453 HB THR 96 HB THR 96 25.268 27.944 -5.477 454 HG1 THR 96 1HG THR 96 25.743 26.596 -3.786 455 HG21 THR 96 3HG2 THR 96 22.804 26.910 -4.055 456 HG22 THR 96 1HG2 THR 96 22.804 28.347 -5.076 457 HG23 THR 96 2HG2 THR 96 23.789 28.304 -3.614 458 H GLN 97 HN GLN 97 25.736 27.298 -8.293 459 HA GLN 97 HA GLN 97 27.041 24.608 -8.445 460 HB2 GLN 97 2HB GLN 97 25.795 25.304 -10.513 461 HB3 GLN 97 1HB GLN 97 26.873 26.693 -10.641 462 HG2 GLN 97 2HG GLN 97 28.816 25.110 -10.690 463 HG3 GLN 97 1HG GLN 97 27.671 23.768 -10.718 464 HE21 GLN 97 1HE2 GLN 97 29.355 23.961 -12.907 465 HE22 GLN 97 2HE2 GLN 97 28.510 24.534 -14.263 466 H VAL 98 HN VAL 98 29.304 24.572 -8.389 467 HA VAL 98 HA VAL 98 30.573 27.074 -7.445 468 HB VAL 98 HB VAL 98 32.096 24.515 -7.716 469 HG11 VAL 98 1HG1 VAL 98 33.483 25.681 -6.383 470 HG12 VAL 98 2HG1 VAL 98 32.222 25.779 -5.153 471 HG13 VAL 98 3HG1 VAL 98 32.347 27.031 -6.389 472 HG21 VAL 98 3HG2 VAL 98 29.591 24.831 -6.210 473 HG22 VAL 98 1HG2 VAL 98 30.948 24.298 -5.216 474 HG23 VAL 98 2HG2 VAL 98 30.470 23.361 -6.632 475 H GLU 99 HN GLU 99 33.239 26.102 -8.387 476 HA GLU 99 HA GLU 99 33.432 27.582 -10.797 477 HB2 GLU 99 2HB GLU 99 35.215 25.364 -9.749 478 HB3 GLU 99 1HB GLU 99 35.644 26.454 -11.067 479 HG2 GLU 99 2HG GLU 99 35.345 28.387 -9.524 480 HG3 GLU 99 1HG GLU 99 35.008 27.259 -8.212 481 H SER 100 HN SER 100 32.883 24.127 -10.246 482 HA SER 100 HA SER 100 31.668 23.842 -12.870 483 HG SER 100 HG SER 100 34.841 24.272 -13.659 484 HB2 SER 100 2HB SER 100 34.422 22.706 -12.351 485 HB3 SER 100 1HB SER 100 33.342 22.022 -13.566 486 H VAL 101 HN VAL 101 31.102 23.321 -10.008 487 HA VAL 101 HA VAL 101 30.368 20.447 -10.300 488 HB VAL 101 HB VAL 101 31.472 21.692 -7.764 489 HG11 VAL 101 1HG1 VAL 101 31.566 19.138 -7.212 490 HG12 VAL 101 2HG1 VAL 101 30.366 18.991 -8.497 491 HG13 VAL 101 3HG1 VAL 101 30.022 19.980 -7.078 492 HG21 VAL 101 3HG2 VAL 101 33.070 19.540 -8.638 493 HG22 VAL 101 1HG2 VAL 101 33.504 21.249 -8.627 494 HG23 VAL 101 2HG2 VAL 101 32.782 20.531 -10.068 495 H GLN 102 HN GLN 102 28.630 19.879 -8.614 496 HA GLN 102 HA GLN 102 26.844 22.249 -8.225 497 HB2 GLN 102 2HB GLN 102 26.101 19.343 -8.694 498 HB3 GLN 102 1HB GLN 102 24.954 20.650 -8.401 499 HG2 GLN 102 2HG GLN 102 25.720 21.806 -10.426 500 HG3 GLN 102 1HG GLN 102 26.925 20.550 -10.706 501 HE21 GLN 102 1HE2 GLN 102 24.965 21.037 -12.686 502 HE22 GLN 102 2HE2 GLN 102 23.887 19.727 -12.741 503 H LEU 103 HN LEU 103 25.807 22.429 -6.196 504 HA LEU 103 HA LEU 103 26.753 20.480 -4.133 505 HG LEU 103 HG LEU 103 27.957 20.954 -2.722 506 HB2 LEU 103 2HB LEU 103 27.217 23.271 -4.291 507 HB3 LEU 103 1HB LEU 103 26.064 23.023 -2.979 508 HD11 LEU 103 1HD1 LEU 103 29.536 22.080 -4.138 509 HD12 LEU 103 2HD1 LEU 103 30.056 22.361 -2.475 510 HD13 LEU 103 3HD1 LEU 103 29.213 23.633 -3.363 511 HD21 LEU 103 3HD2 LEU 103 28.450 22.048 -0.609 512 HD22 LEU 103 1HD2 LEU 103 26.727 22.232 -0.940 513 HD23 LEU 103 2HD2 LEU 103 27.828 23.583 -1.215 514 H LYS 104 HN LYS 104 25.185 19.605 -2.841 515 HA LYS 104 HA LYS 104 22.419 20.715 -3.125 516 HB2 LYS 104 2HB LYS 104 23.312 17.845 -2.706 517 HB3 LYS 104 1HB LYS 104 21.633 18.383 -2.697 518 HG2 LYS 104 2HG LYS 104 21.939 19.259 -5.012 519 HG3 LYS 104 1HG LYS 104 23.578 18.610 -5.014 520 HD2 LYS 104 2HD LYS 104 22.630 16.337 -4.574 521 HD3 LYS 104 1HD LYS 104 21.010 17.023 -4.714 522 HE2 LYS 104 2HE LYS 104 22.036 17.954 -7.011 523 HE3 LYS 104 1HE LYS 104 23.050 16.522 -6.833 524 HZ1 LYS 104 3HZ LYS 104 20.908 15.282 -6.424 525 HZ2 LYS 104 1HZ LYS 104 21.168 15.821 -8.011 526 HZ3 LYS 104 2HZ LYS 104 20.099 16.663 -6.993 527 H VAL 105 HN VAL 105 21.548 21.440 -1.238 528 HA VAL 105 HA VAL 105 22.872 20.584 1.302 529 HB VAL 105 HB VAL 105 21.198 23.063 0.805 530 HG11 VAL 105 1HG1 VAL 105 22.532 23.722 2.942 531 HG12 VAL 105 2HG1 VAL 105 22.805 21.989 3.116 532 HG13 VAL 105 3HG1 VAL 105 21.161 22.627 3.118 533 HG21 VAL 105 3HG2 VAL 105 23.022 23.845 -0.278 534 HG22 VAL 105 1HG2 VAL 105 23.983 22.440 0.185 535 HG23 VAL 105 2HG2 VAL 105 23.841 23.812 1.284 536 H ASN 106 HN ASN 106 21.590 19.796 2.977 537 HA ASN 106 HA ASN 106 18.656 19.858 2.739 538 HB2 ASN 106 2HB ASN 106 20.250 17.287 2.603 539 HB3 ASN 106 1HB ASN 106 18.529 17.343 2.974 540 HD21 ASN 106 1HD2 ASN 106 17.628 19.302 1.187 541 HD22 ASN 106 2HD2 ASN 106 17.908 18.793 -0.405 542 H ILE 107 HN ILE 107 18.014 18.008 4.679 543 HA ILE 107 HA ILE 107 19.420 19.139 7.056 544 HB ILE 107 HB ILE 107 16.729 17.747 6.952 545 HG12 ILE 107 1HG1 ILE 107 16.519 19.749 5.643 546 HG13 ILE 107 2HG1 ILE 107 15.865 20.124 7.237 547 HG21 ILE 107 1HG2 ILE 107 17.517 19.694 9.063 548 HG22 ILE 107 2HG2 ILE 107 18.297 18.112 9.109 549 HG23 ILE 107 3HG2 ILE 107 16.539 18.233 9.192 550 HD11 ILE 107 3HD1 ILE 107 18.126 21.047 7.861 551 HD12 ILE 107 1HD1 ILE 107 17.317 21.949 6.580 552 HD13 ILE 107 2HD1 ILE 107 18.618 20.828 6.182 553 H ALA 108 HN ALA 108 20.535 17.772 8.399 554 HA ALA 108 HA ALA 108 20.220 14.835 7.921 555 HB1 ALA 108 1HB ALA 108 22.446 16.221 7.242 556 HB2 ALA 108 2HB ALA 108 22.489 14.543 7.781 557 HB3 ALA 108 3HB ALA 108 22.830 15.843 8.922 558 H ARG 109 HN ARG 109 20.533 13.499 9.814 559 HA ARG 109 HA ARG 109 19.948 14.967 12.334 560 HE ARG 109 HE ARG 109 15.510 13.304 10.706 561 HB2 ARG 109 2HB ARG 109 19.696 12.022 11.651 562 HB3 ARG 109 1HB ARG 109 19.230 12.753 13.186 563 HG2 ARG 109 2HG ARG 109 17.637 14.230 11.961 564 HG3 ARG 109 1HG ARG 109 18.061 13.400 10.463 565 HD2 ARG 109 2HD ARG 109 17.379 11.234 11.611 566 HD3 ARG 109 1HD ARG 109 16.716 12.225 12.908 567 HH11 ARG 109 1HH1 ARG 109 16.058 10.625 9.384 568 HH12 ARG 109 2HH1 ARG 109 14.591 9.770 9.727 569 HH21 ARG 109 1HH2 ARG 109 13.574 11.972 12.204 570 HH22 ARG 109 2HH2 ARG 109 13.186 10.532 11.323 571 H LYS 110 HN LYS 110 22.660 14.858 11.227 572 HA LYS 110 HA LYS 110 24.184 12.870 12.684 573 HB2 LYS 110 2HB LYS 110 25.008 14.021 10.620 574 HB3 LYS 110 1HB LYS 110 25.124 15.518 11.542 575 HG2 LYS 110 2HG LYS 110 26.666 14.348 13.139 576 HG3 LYS 110 1HG LYS 110 26.628 12.940 12.079 577 HD2 LYS 110 2HD LYS 110 27.426 14.435 10.206 578 HD3 LYS 110 1HD LYS 110 27.651 15.711 11.402 579 HE2 LYS 110 2HE LYS 110 29.704 14.850 11.777 580 HE3 LYS 110 1HE LYS 110 28.897 13.474 12.530 581 HZ1 LYS 110 3HZ LYS 110 30.497 13.016 10.618 582 HZ2 LYS 110 1HZ LYS 110 29.277 13.617 9.605 583 HZ3 LYS 110 2HZ LYS 110 28.980 12.253 10.573 584 H GLN 111 HN GLN 111 22.545 15.644 13.669 585 HA GLN 111 HA GLN 111 24.269 15.836 16.108 586 HB2 GLN 111 2HB GLN 111 24.371 17.885 14.703 587 HB3 GLN 111 1HB GLN 111 22.619 18.042 14.836 588 HG2 GLN 111 2HG GLN 111 23.544 19.470 16.522 589 HG3 GLN 111 1HG GLN 111 22.941 18.042 17.364 590 HE21 GLN 111 1HE2 GLN 111 25.531 20.067 17.394 591 HE22 GLN 111 2HE2 GLN 111 26.751 18.989 17.874 592 HA PRO 112 HA PRO 112 19.945 14.607 17.331 593 HB2 PRO 112 2HB PRO 112 20.570 12.282 18.534 594 HB3 PRO 112 1HB PRO 112 20.250 12.406 16.805 595 HG2 PRO 112 2HG PRO 112 22.821 12.068 18.231 596 HG3 PRO 112 1HG PRO 112 22.358 11.537 16.615 597 HD2 PRO 112 1HD PRO 112 23.923 13.787 17.248 598 HD3 PRO 112 2HD PRO 112 23.217 13.414 15.677 599 H MET 113 HN MET 113 22.995 14.915 18.978 600 HA MET 113 HA MET 113 22.452 14.481 21.646 601 HB2 MET 113 2HB MET 113 23.801 16.717 21.999 602 HB3 MET 113 1HB MET 113 24.592 15.323 21.263 603 HG2 MET 113 2HG MET 113 24.829 16.383 19.278 604 HG3 MET 113 1HG MET 113 23.166 16.971 19.308 605 HE1 MET 113 3HE MET 113 23.106 20.295 19.926 606 HE2 MET 113 1HE MET 113 22.684 18.828 19.032 607 HE3 MET 113 2HE MET 113 23.994 19.864 18.466 608 H LEU 114 HN LEU 114 21.291 17.195 19.682 609 HA LEU 114 HA LEU 114 19.354 17.796 21.870 610 HG LEU 114 HG LEU 114 18.507 19.864 22.085 611 HB2 LEU 114 2HB LEU 114 21.241 19.468 21.843 612 HB3 LEU 114 1HB LEU 114 20.756 19.906 20.206 613 HD11 LEU 114 1HD1 LEU 114 19.304 21.159 23.748 614 HD12 LEU 114 2HD1 LEU 114 19.967 22.311 22.590 615 HD13 LEU 114 3HD1 LEU 114 20.923 20.917 23.091 616 HD21 LEU 114 3HD2 LEU 114 17.836 21.139 20.348 617 HD22 LEU 114 1HD2 LEU 114 19.489 21.310 19.758 618 HD23 LEU 114 2HD2 LEU 114 18.872 22.416 20.987 619 H ASP 115 HN ASP 115 19.233 16.326 19.245 620 HA ASP 115 HA ASP 115 17.864 16.248 17.328 621 HB2 ASP 115 2HB ASP 115 16.105 17.758 19.284 622 HB3 ASP 115 1HB ASP 115 15.534 17.073 17.763 623 H ALA 116 HN ALA 116 19.768 18.270 17.123 624 HA ALA 116 HA ALA 116 20.189 20.131 15.743 625 HB1 ALA 116 1HB ALA 116 17.584 19.175 14.913 626 HB2 ALA 116 2HB ALA 116 18.823 19.984 13.955 627 HB3 ALA 116 3HB ALA 116 17.640 20.937 14.851 628 H ALA 117 HN ALA 117 16.883 21.072 16.554 629 HA ALA 117 HA ALA 117 17.708 22.724 18.806 630 HB1 ALA 117 1HB ALA 117 17.874 24.766 17.816 631 HB2 ALA 117 2HB ALA 117 16.562 24.424 16.686 632 HB3 ALA 117 3HB ALA 117 18.194 23.838 16.350 633 H THR 118 HN THR 118 15.622 20.708 17.888 634 HA THR 118 HA THR 118 13.099 22.118 17.802 635 HB THR 118 HB THR 118 13.642 19.236 18.583 636 HG1 THR 118 1HG THR 118 12.728 19.976 16.067 637 HG21 THR 118 3HG2 THR 118 11.347 18.836 18.120 638 HG22 THR 118 1HG2 THR 118 11.148 20.408 17.347 639 HG23 THR 118 2HG2 THR 118 11.363 20.306 19.095 640 H GLY 119 HN GLY 119 15.087 20.739 20.374 641 HA2 GLY 119 1HA GLY 119 15.018 21.263 22.679 642 HA3 GLY 119 2HA GLY 119 13.648 22.327 22.359 643 H LYS 120 HN LYS 120 12.938 21.171 24.454 644 HA LYS 120 HA LYS 120 11.453 19.669 25.475 645 HB2 LYS 120 2HB LYS 120 10.744 19.071 22.585 646 HB3 LYS 120 1HB LYS 120 9.801 18.567 23.988 647 HG2 LYS 120 2HG LYS 120 9.578 20.979 24.635 648 HG3 LYS 120 1HG LYS 120 10.394 21.417 23.134 649 HD2 LYS 120 2HD LYS 120 8.617 20.204 21.864 650 HD3 LYS 120 1HD LYS 120 7.778 19.900 23.386 651 HE2 LYS 120 2HE LYS 120 8.522 22.717 23.011 652 HE3 LYS 120 1HE LYS 120 7.406 22.120 21.782 653 HZ1 LYS 120 3HZ LYS 120 5.954 21.318 23.531 654 HZ2 LYS 120 1HZ LYS 120 6.228 22.982 23.708 655 HZ3 LYS 120 2HZ LYS 120 7.033 21.877 24.719 656 H SER 121 HN SER 121 14.077 18.779 25.252 657 HA SER 121 HA SER 121 15.360 16.814 25.329 658 HG SER 121 HG SER 121 15.125 14.529 26.294 659 HB2 SER 121 2HB SER 121 13.657 16.104 26.935 660 HB3 SER 121 1HB SER 121 12.593 15.604 25.620 Start of MODEL 3 1 H ALA 35 HN ALA 35 20.789 30.978 28.123 2 HA ALA 35 HA ALA 35 22.902 29.340 28.592 3 HB1 ALA 35 1HB ALA 35 20.905 27.786 29.691 4 HB2 ALA 35 2HB ALA 35 20.119 29.357 29.539 5 HB3 ALA 35 3HB ALA 35 21.617 29.205 30.458 6 HA PRO 36 HA PRO 36 20.877 25.457 26.503 7 HB2 PRO 36 2HB PRO 36 18.583 25.833 25.124 8 HB3 PRO 36 1HB PRO 36 18.616 25.433 26.843 9 HG2 PRO 36 2HG PRO 36 18.254 28.096 25.520 10 HG3 PRO 36 1HG PRO 36 17.388 27.413 26.900 11 HD2 PRO 36 1HD PRO 36 19.378 29.222 27.201 12 HD3 PRO 36 2HD PRO 36 19.073 27.952 28.388 13 H ARG 37 HN ARG 37 21.393 24.717 24.419 14 HA ARG 37 HA ARG 37 21.444 26.700 22.209 15 HE ARG 37 HE ARG 37 26.002 23.175 24.658 16 HB2 ARG 37 2HB ARG 37 23.764 26.205 21.668 17 HB3 ARG 37 1HB ARG 37 23.680 26.747 23.345 18 HG2 ARG 37 2HG ARG 37 23.543 24.293 24.005 19 HG3 ARG 37 1HG ARG 37 23.944 23.906 22.332 20 HD2 ARG 37 2HD ARG 37 26.013 25.280 22.544 21 HD3 ARG 37 1HD ARG 37 25.624 25.559 24.242 22 HH11 ARG 37 1HH1 ARG 37 28.476 24.209 23.185 23 HH12 ARG 37 2HH1 ARG 37 28.731 22.937 22.038 24 HH21 ARG 37 1HH2 ARG 37 25.569 21.573 22.448 25 HH22 ARG 37 2HH2 ARG 37 27.084 21.444 21.620 26 H LYS 38 HN LYS 38 21.648 25.646 20.093 27 HA LYS 38 HA LYS 38 20.956 22.736 20.193 28 HB2 LYS 38 2HB LYS 38 19.927 24.801 18.222 29 HB3 LYS 38 1HB LYS 38 19.481 23.095 18.272 30 HG2 LYS 38 2HG LYS 38 18.571 23.423 20.561 31 HG3 LYS 38 1HG LYS 38 18.972 25.137 20.459 32 HD2 LYS 38 2HD LYS 38 17.486 25.377 18.508 33 HD3 LYS 38 1HD LYS 38 17.091 23.659 18.593 34 HE2 LYS 38 2HE LYS 38 15.643 23.966 20.314 35 HE3 LYS 38 1HE LYS 38 16.734 25.075 21.146 36 HZ1 LYS 38 3HZ LYS 38 15.880 26.873 20.077 37 HZ2 LYS 38 1HZ LYS 38 14.492 25.899 20.097 38 HZ3 LYS 38 2HZ LYS 38 15.438 25.998 18.690 39 H GLY 39 HN GLY 39 20.969 22.480 17.317 40 HA2 GLY 39 2HA GLY 39 23.287 23.468 16.043 41 HA3 GLY 39 1HA GLY 39 23.762 21.996 16.888 42 H ASN 40 HN ASN 40 21.350 23.236 14.566 43 HA ASN 40 HA ASN 40 20.472 20.624 13.724 44 HB2 ASN 40 2HB ASN 40 19.259 22.842 13.365 45 HB3 ASN 40 1HB ASN 40 20.397 23.143 12.051 46 HD21 ASN 40 1HD2 ASN 40 17.983 23.018 11.007 47 HD22 ASN 40 2HD2 ASN 40 17.590 21.496 10.365 48 H THR 41 HN THR 41 21.736 19.181 12.664 49 HA THR 41 HA THR 41 24.167 20.052 11.282 50 HB THR 41 HB THR 41 22.874 17.320 11.555 51 HG1 THR 41 1HG THR 41 24.765 18.800 12.983 52 HG21 THR 41 3HG2 THR 41 24.993 16.435 10.724 53 HG22 THR 41 1HG2 THR 41 25.638 18.069 10.561 54 HG23 THR 41 2HG2 THR 41 24.307 17.538 9.532 55 H LEU 42 HN LEU 42 24.501 20.019 9.041 56 HA LEU 42 HA LEU 42 22.032 19.626 7.395 57 HG LEU 42 HG LEU 42 21.625 21.768 8.034 58 HB2 LEU 42 2HB LEU 42 24.383 21.491 6.953 59 HB3 LEU 42 1HB LEU 42 23.061 21.260 5.810 60 HD11 LEU 42 1HD1 LEU 42 24.376 22.773 8.519 61 HD12 LEU 42 2HD1 LEU 42 23.125 22.314 9.675 62 HD13 LEU 42 3HD1 LEU 42 23.067 23.893 8.891 63 HD21 LEU 42 3HD2 LEU 42 22.260 23.089 5.658 64 HD22 LEU 42 1HD2 LEU 42 22.590 24.282 6.913 65 HD23 LEU 42 2HD2 LEU 42 20.991 23.548 6.793 66 H TYR 43 HN TYR 43 22.262 18.480 5.431 67 HA TYR 43 HA TYR 43 24.795 16.913 5.226 68 HD1 TYR 43 HD1 TYR 43 22.837 16.074 1.854 69 HD2 TYR 43 HD2 TYR 43 24.461 13.823 5.131 70 HE1 TYR 43 HE1 TYR 43 23.865 14.484 0.252 71 HE2 TYR 43 HE2 TYR 43 25.489 12.232 3.530 72 HH TYR 43 HH TYR 43 25.682 11.639 1.398 73 HB2 TYR 43 2HB TYR 43 22.814 15.529 5.522 74 HB3 TYR 43 1HB TYR 43 22.002 16.347 4.187 75 H VAL 44 HN VAL 44 26.147 17.775 3.719 76 HA VAL 44 HA VAL 44 24.926 18.978 1.271 77 HB VAL 44 HB VAL 44 27.712 19.402 2.387 78 HG11 VAL 44 1HG1 VAL 44 26.348 21.277 0.507 79 HG12 VAL 44 2HG1 VAL 44 26.957 19.761 -0.157 80 HG13 VAL 44 3HG1 VAL 44 28.060 20.877 0.648 81 HG21 VAL 44 3HG2 VAL 44 25.483 21.425 2.436 82 HG22 VAL 44 1HG2 VAL 44 26.954 21.377 3.407 83 HG23 VAL 44 2HG2 VAL 44 25.641 20.247 3.738 84 H TYR 45 HN TYR 45 25.828 18.396 -0.781 85 HA TYR 45 HA TYR 45 27.786 16.159 -0.784 86 HD1 TYR 45 HD1 TYR 45 27.193 13.329 -0.931 87 HD2 TYR 45 HD2 TYR 45 26.124 15.577 -4.432 88 HE1 TYR 45 HE1 TYR 45 28.274 11.615 -2.362 89 HE2 TYR 45 HE2 TYR 45 27.204 13.863 -5.862 90 HH TYR 45 HH TYR 45 27.882 11.577 -5.797 91 HB2 TYR 45 2HB TYR 45 25.524 15.138 -0.835 92 HB3 TYR 45 1HB TYR 45 25.141 16.093 -2.269 93 H GLY 46 HN GLY 46 29.172 16.247 -2.542 94 HA2 GLY 46 1HA GLY 46 28.621 17.412 -5.063 95 HA3 GLY 46 2HA GLY 46 29.346 18.665 -4.056 96 H GLU 47 HN GLU 47 31.071 18.430 -5.815 97 HA GLU 47 HA GLU 47 32.925 16.181 -5.132 98 HB2 GLU 47 2HB GLU 47 32.806 17.789 -7.703 99 HB3 GLU 47 1HB GLU 47 33.844 16.398 -7.383 100 HG2 GLU 47 2HG GLU 47 31.864 14.964 -7.115 101 HG3 GLU 47 1HG GLU 47 30.809 16.352 -7.385 102 H ASP 48 HN ASP 48 35.263 16.777 -5.256 103 HA ASP 48 HA ASP 48 36.971 18.118 -4.329 104 HB2 ASP 48 2HB ASP 48 35.664 20.157 -6.156 105 HB3 ASP 48 1HB ASP 48 37.328 20.187 -5.577 106 H MET 49 HN MET 49 34.669 18.029 -2.662 107 HA MET 49 HA MET 49 33.976 20.750 -1.854 108 HB2 MET 49 2HB MET 49 33.560 18.233 -0.234 109 HB3 MET 49 1HB MET 49 32.630 19.729 -0.171 110 HG2 MET 49 2HG MET 49 31.665 19.326 -2.324 111 HG3 MET 49 1HG MET 49 32.800 18.020 -2.663 112 HE1 MET 49 3HE MET 49 30.615 19.483 -0.218 113 HE2 MET 49 1HE MET 49 30.234 18.187 0.924 114 HE3 MET 49 2HE MET 49 29.145 18.533 -0.417 115 H THR 50 HN THR 50 34.893 21.923 -0.179 116 HA THR 50 HA THR 50 37.105 20.593 1.334 117 HB THR 50 HB THR 50 37.918 23.181 1.280 118 HG1 THR 50 1HG THR 50 37.612 23.508 -1.171 119 HG21 THR 50 3HG2 THR 50 39.293 21.235 0.708 120 HG22 THR 50 1HG2 THR 50 39.463 22.480 -0.530 121 HG23 THR 50 2HG2 THR 50 38.446 21.071 -0.830 122 HA PRO 51 HA PRO 51 35.239 22.159 5.031 123 HB2 PRO 51 2HB PRO 51 37.380 22.867 6.519 124 HB3 PRO 51 1HB PRO 51 36.939 21.186 6.210 125 HG2 PRO 51 2HG PRO 51 39.017 22.880 4.876 126 HG3 PRO 51 1HG PRO 51 39.125 21.197 5.400 127 HD2 PRO 51 1HD PRO 51 38.692 21.880 2.817 128 HD3 PRO 51 2HD PRO 51 38.025 20.409 3.527 129 H THR 52 HN THR 52 37.984 24.283 4.116 130 HA THR 52 HA THR 52 36.951 26.631 5.341 131 HB THR 52 HB THR 52 38.644 26.508 2.829 132 HG1 THR 52 1HG THR 52 39.229 26.160 5.558 133 HG21 THR 52 3HG2 THR 52 37.947 28.746 3.211 134 HG22 THR 52 1HG2 THR 52 39.561 28.646 3.914 135 HG23 THR 52 2HG2 THR 52 38.140 28.589 4.957 136 H LEU 53 HN LEU 53 36.496 25.324 2.065 137 HA LEU 53 HA LEU 53 34.976 27.538 1.062 138 HG LEU 53 HG LEU 53 34.049 27.317 -0.964 139 HB2 LEU 53 2HB LEU 53 36.008 25.678 -0.317 140 HB3 LEU 53 1HB LEU 53 34.692 24.638 0.230 141 HD11 LEU 53 1HD1 LEU 53 33.839 25.368 -3.004 142 HD12 LEU 53 2HD1 LEU 53 35.457 25.196 -2.323 143 HD13 LEU 53 3HD1 LEU 53 34.928 26.753 -2.958 144 HD21 LEU 53 3HD2 LEU 53 32.683 24.838 -0.215 145 HD22 LEU 53 1HD2 LEU 53 32.282 25.363 -1.852 146 HD23 LEU 53 2HD2 LEU 53 32.014 26.448 -0.486 147 H LEU 54 HN LEU 54 33.992 24.480 2.615 148 HA LEU 54 HA LEU 54 31.173 24.951 2.431 149 HG LEU 54 HG LEU 54 32.774 22.815 1.887 150 HB2 LEU 54 2HB LEU 54 32.770 23.345 4.449 151 HB3 LEU 54 1HB LEU 54 31.016 23.282 4.284 152 HD11 LEU 54 1HD1 LEU 54 33.606 20.924 2.784 153 HD12 LEU 54 2HD1 LEU 54 31.958 20.312 2.922 154 HD13 LEU 54 3HD1 LEU 54 32.690 21.185 4.268 155 HD21 LEU 54 3HD2 LEU 54 30.041 21.796 2.722 156 HD22 LEU 54 1HD2 LEU 54 30.826 21.488 1.173 157 HD23 LEU 54 2HD2 LEU 54 30.335 23.127 1.603 158 H ARG 55 HN ARG 55 33.527 25.651 5.025 159 HA ARG 55 HA ARG 55 31.783 26.699 6.954 160 HE ARG 55 HE ARG 55 34.617 27.609 9.724 161 HB2 ARG 55 2HB ARG 55 34.573 27.591 6.177 162 HB3 ARG 55 1HB ARG 55 33.729 28.178 7.610 163 HG2 ARG 55 2HG ARG 55 33.535 25.888 8.463 164 HG3 ARG 55 1HG ARG 55 34.308 25.262 7.006 165 HD2 ARG 55 2HD ARG 55 36.039 25.387 8.646 166 HD3 ARG 55 1HD ARG 55 36.292 26.772 7.586 167 HH11 ARG 55 1HH1 ARG 55 37.851 26.863 8.839 168 HH12 ARG 55 2HH1 ARG 55 38.548 27.555 10.265 169 HH21 ARG 55 1HH2 ARG 55 35.492 28.350 11.696 170 HH22 ARG 55 2HH2 ARG 55 37.212 28.397 11.883 171 H GLY 56 HN GLY 56 33.160 28.314 4.099 172 HA2 GLY 56 2HA GLY 56 31.991 30.888 4.682 173 HA3 GLY 56 1HA GLY 56 32.618 30.380 3.115 174 H ALA 57 HN ALA 57 30.875 28.008 2.988 175 HA ALA 57 HA ALA 57 28.562 29.266 1.784 176 HB1 ALA 57 1HB ALA 57 28.059 27.164 0.972 177 HB2 ALA 57 2HB ALA 57 28.530 26.359 2.469 178 HB3 ALA 57 3HB ALA 57 29.765 26.916 1.341 179 H PHE 58 HN PHE 58 29.291 28.006 4.940 180 HA PHE 58 HA PHE 58 26.427 28.410 5.708 181 HD1 PHE 58 HD1 PHE 58 28.718 25.492 4.596 182 HD2 PHE 58 HD2 PHE 58 24.900 25.844 6.533 183 HE1 PHE 58 HE1 PHE 58 27.757 23.854 3.000 184 HE2 PHE 58 HE2 PHE 58 23.939 24.206 4.937 185 HZ PHE 58 HZ PHE 58 25.367 23.212 3.171 186 HB2 PHE 58 2HB PHE 58 28.476 26.495 6.865 187 HB3 PHE 58 1HB PHE 58 26.876 26.770 7.549 188 H SER 59 HN SER 59 29.206 29.983 5.766 189 HA SER 59 HA SER 59 29.522 30.585 8.594 190 HG SER 59 HG SER 59 31.075 33.497 6.992 191 HB2 SER 59 2HB SER 59 31.490 30.911 7.371 192 HB3 SER 59 1HB SER 59 30.645 31.699 6.038 193 HA PRO 60 HA PRO 60 27.350 34.746 7.332 194 HB2 PRO 60 2HB PRO 60 26.058 34.806 4.959 195 HB3 PRO 60 1HB PRO 60 27.750 35.273 5.147 196 HG2 PRO 60 2HG PRO 60 26.589 32.695 4.163 197 HG3 PRO 60 1HG PRO 60 27.960 33.612 3.530 198 HD2 PRO 60 2HD PRO 60 28.275 31.427 5.094 199 HD3 PRO 60 1HD PRO 60 29.417 32.770 5.112 200 H PHE 61 HN PHE 61 25.784 31.785 6.117 201 HA PHE 61 HA PHE 61 23.094 32.568 6.571 202 HD1 PHE 61 HD1 PHE 61 21.320 31.053 5.053 203 HD2 PHE 61 HD2 PHE 61 25.477 30.132 4.493 204 HE1 PHE 61 HE1 PHE 61 21.024 31.212 2.596 205 HE2 PHE 61 HE2 PHE 61 25.182 30.292 2.036 206 HZ PHE 61 HZ PHE 61 22.956 30.832 1.088 207 HB2 PHE 61 2HB PHE 61 24.456 29.872 6.646 208 HB3 PHE 61 1HB PHE 61 22.716 30.052 6.870 209 H GLY 62 HN GLY 62 25.495 31.165 8.783 210 HA2 GLY 62 1HA GLY 62 24.374 32.383 11.093 211 HA3 GLY 62 2HA GLY 62 23.748 30.738 10.992 212 H ASN 63 HN ASN 63 25.251 31.179 13.158 213 HA ASN 63 HA ASN 63 28.089 30.673 12.659 214 HB2 ASN 63 2HB ASN 63 27.137 31.947 14.657 215 HB3 ASN 63 1HB ASN 63 26.619 30.385 15.289 216 HD21 ASN 63 1HD2 ASN 63 28.353 31.405 16.987 217 HD22 ASN 63 2HD2 ASN 63 29.938 30.832 16.778 218 H ILE 64 HN ILE 64 29.135 28.686 12.832 219 HA ILE 64 HA ILE 64 27.342 26.313 12.938 220 HB ILE 64 HB ILE 64 30.217 26.557 12.001 221 HG12 ILE 64 2HG1 ILE 64 27.699 26.167 10.363 222 HG13 ILE 64 1HG1 ILE 64 28.442 27.744 10.628 223 HG21 ILE 64 1HG2 ILE 64 28.452 24.284 11.241 224 HG22 ILE 64 2HG2 ILE 64 29.048 24.299 12.901 225 HG23 ILE 64 3HG2 ILE 64 30.188 24.304 11.554 226 HD11 ILE 64 3HD1 ILE 64 29.707 25.341 9.281 227 HD12 ILE 64 1HD1 ILE 64 30.586 26.813 9.694 228 HD13 ILE 64 2HD1 ILE 64 29.269 26.872 8.524 229 H ILE 65 HN ILE 65 27.438 24.932 14.653 230 HA ILE 65 HA ILE 65 29.382 25.543 16.802 231 HB ILE 65 HB ILE 65 27.967 24.238 18.233 232 HG12 ILE 65 2HG1 ILE 65 26.509 23.324 15.734 233 HG13 ILE 65 1HG1 ILE 65 27.683 22.348 16.616 234 HG21 ILE 65 1HG2 ILE 65 26.633 26.062 18.179 235 HG22 ILE 65 2HG2 ILE 65 25.602 25.147 17.080 236 HG23 ILE 65 3HG2 ILE 65 26.826 26.240 16.436 237 HD11 ILE 65 3HD1 ILE 65 26.196 22.818 18.691 238 HD12 ILE 65 1HD1 ILE 65 25.609 21.653 17.504 239 HD13 ILE 65 2HD1 ILE 65 24.966 23.295 17.522 240 H ASP 66 HN ASP 66 28.745 23.140 14.362 241 HA ASP 66 HA ASP 66 31.227 21.743 15.154 242 HB2 ASP 66 2HB ASP 66 29.279 20.608 16.320 243 HB3 ASP 66 1HB ASP 66 28.661 20.194 14.721 244 H LEU 67 HN LEU 67 32.356 21.794 13.272 245 HA LEU 67 HA LEU 67 30.856 21.477 10.713 246 HG LEU 67 HG LEU 67 33.155 23.504 8.836 247 HB2 LEU 67 2HB LEU 67 32.500 23.462 11.242 248 HB3 LEU 67 1HB LEU 67 33.749 22.274 10.866 249 HD11 LEU 67 1HD1 LEU 67 33.440 20.862 8.973 250 HD12 LEU 67 2HD1 LEU 67 33.003 21.649 7.457 251 HD13 LEU 67 3HD1 LEU 67 31.757 20.886 8.446 252 HD21 LEU 67 3HD2 LEU 67 30.535 23.327 9.956 253 HD22 LEU 67 1HD2 LEU 67 30.502 22.528 8.383 254 HD23 LEU 67 2HD2 LEU 67 31.041 24.203 8.511 255 H SER 68 HN SER 68 30.901 19.437 9.905 256 HA SER 68 HA SER 68 33.410 17.851 10.273 257 HG SER 68 HG SER 68 31.880 14.933 11.189 258 HB2 SER 68 2HB SER 68 31.554 17.038 11.749 259 HB3 SER 68 1HB SER 68 30.588 16.742 10.304 260 H MET 69 HN MET 69 33.970 16.506 8.492 261 HA MET 69 HA MET 69 32.345 16.958 6.020 262 HB2 MET 69 2HB MET 69 35.358 16.932 6.349 263 HB3 MET 69 1HB MET 69 34.550 16.853 4.783 264 HG2 MET 69 2HG MET 69 33.347 18.988 5.393 265 HG3 MET 69 1HG MET 69 34.377 19.091 6.821 266 HE1 MET 69 3HE MET 69 35.471 19.516 2.416 267 HE2 MET 69 1HE MET 69 33.939 19.030 3.158 268 HE3 MET 69 2HE MET 69 35.271 17.883 3.046 269 H ASP 70 HN ASP 70 32.231 15.160 4.583 270 HA ASP 70 HA ASP 70 33.259 12.595 5.735 271 HB2 ASP 70 2HB ASP 70 30.606 13.302 5.389 272 HB3 ASP 70 1HB ASP 70 30.954 12.370 3.931 273 HA PRO 71 HA PRO 71 35.273 12.880 1.662 274 HB2 PRO 71 2HB PRO 71 37.368 11.304 2.304 275 HB3 PRO 71 1HB PRO 71 37.289 13.024 2.685 276 HG2 PRO 71 2HG PRO 71 36.877 10.671 4.452 277 HG3 PRO 71 1HG PRO 71 37.587 12.239 4.824 278 HD2 PRO 71 2HD PRO 71 35.011 11.490 5.495 279 HD3 PRO 71 1HD PRO 71 35.571 13.156 5.364 280 HA PRO 72 HA PRO 72 34.877 8.053 1.319 281 HB2 PRO 72 2HB PRO 72 33.191 6.844 3.036 282 HB3 PRO 72 1HB PRO 72 34.915 7.028 3.361 283 HG2 PRO 72 2HG PRO 72 32.605 8.583 4.423 284 HG3 PRO 72 1HG PRO 72 34.086 8.082 5.241 285 HD2 PRO 72 1HD PRO 72 33.642 10.608 4.279 286 HD3 PRO 72 2HD PRO 72 35.241 9.914 4.521 287 H ARG 73 HN ARG 73 32.140 10.016 2.383 288 HA ARG 73 HA ARG 73 30.457 8.697 0.297 289 HE ARG 73 HE ARG 73 28.508 7.185 5.652 290 HB2 ARG 73 2HB ARG 73 29.644 10.377 2.690 291 HB3 ARG 73 1HB ARG 73 28.529 9.668 1.520 292 HG2 ARG 73 2HG ARG 73 29.429 7.409 2.099 293 HG3 ARG 73 1HG ARG 73 30.430 8.160 3.342 294 HD2 ARG 73 2HD ARG 73 28.303 9.116 4.335 295 HD3 ARG 73 1HD ARG 73 27.404 8.101 3.206 296 HH11 ARG 73 1HH1 ARG 73 26.735 5.847 3.399 297 HH12 ARG 73 2HH1 ARG 73 27.643 4.389 3.168 298 HH21 ARG 73 1HH2 ARG 73 30.427 5.535 4.887 299 HH22 ARG 73 2HH2 ARG 73 29.732 4.213 4.010 300 H ASN 74 HN ASN 74 32.391 11.341 0.683 301 HA ASN 74 HA ASN 74 32.569 13.362 -0.494 302 HB2 ASN 74 2HB ASN 74 30.442 12.030 -2.198 303 HB3 ASN 74 1HB ASN 74 31.305 13.503 -2.640 304 HD21 ASN 74 1HD2 ASN 74 31.520 11.151 -4.249 305 HD22 ASN 74 2HD2 ASN 74 33.103 10.550 -4.121 306 H CYS 75 HN CYS 75 30.896 13.325 1.801 307 HA CYS 75 HA CYS 75 29.007 15.495 1.048 308 HG CYS 75 HG CYS 75 28.062 12.969 4.199 309 HB2 CYS 75 2HB CYS 75 27.246 14.540 2.461 310 HB3 CYS 75 1HB CYS 75 27.700 13.385 1.208 311 H ALA 76 HN ALA 76 29.006 17.158 2.534 312 HA ALA 76 HA ALA 76 30.743 16.779 4.931 313 HB1 ALA 76 1HB ALA 76 31.133 18.626 3.114 314 HB2 ALA 76 2HB ALA 76 31.273 19.058 4.818 315 HB3 ALA 76 3HB ALA 76 29.804 19.454 3.925 316 H PHE 77 HN PHE 77 30.014 17.876 6.940 317 HA PHE 77 HA PHE 77 27.032 18.072 7.082 318 HD1 PHE 77 HD1 PHE 77 25.495 15.960 8.130 319 HD2 PHE 77 HD2 PHE 77 29.671 15.048 7.700 320 HE1 PHE 77 HE1 PHE 77 24.914 13.810 7.038 321 HE2 PHE 77 HE2 PHE 77 29.089 12.899 6.607 322 HZ PHE 77 HZ PHE 77 26.711 12.280 6.277 323 HB2 PHE 77 2HB PHE 77 28.956 16.875 9.097 324 HB3 PHE 77 1HB PHE 77 27.248 17.174 9.417 325 H VAL 78 HN VAL 78 26.304 19.973 7.925 326 HA VAL 78 HA VAL 78 28.272 21.653 9.428 327 HB VAL 78 HB VAL 78 26.035 22.668 7.658 328 HG11 VAL 78 1HG1 VAL 78 28.449 24.243 8.442 329 HG12 VAL 78 2HG1 VAL 78 27.204 23.987 9.664 330 HG13 VAL 78 3HG1 VAL 78 26.800 24.794 8.149 331 HG21 VAL 78 3HG2 VAL 78 27.467 22.760 5.867 332 HG22 VAL 78 1HG2 VAL 78 28.197 21.378 6.686 333 HG23 VAL 78 2HG2 VAL 78 28.889 22.988 6.886 334 H THR 79 HN THR 79 27.576 22.354 11.411 335 HA THR 79 HA THR 79 24.755 21.715 12.146 336 HB THR 79 HB THR 79 27.007 22.335 14.065 337 HG1 THR 79 1HG THR 79 27.726 20.591 12.943 338 HG21 THR 79 3HG2 THR 79 24.551 22.329 14.763 339 HG22 THR 79 1HG2 THR 79 25.615 21.258 15.673 340 HG23 THR 79 2HG2 THR 79 24.561 20.599 14.423 341 H TYR 80 HN TYR 80 23.397 23.363 12.787 342 HA TYR 80 HA TYR 80 24.605 26.097 12.916 343 HD1 TYR 80 HD1 TYR 80 24.751 27.678 11.955 344 HD2 TYR 80 HD2 TYR 80 22.150 25.456 9.356 345 HE1 TYR 80 HE1 TYR 80 25.890 28.650 9.981 346 HE2 TYR 80 HE2 TYR 80 23.290 26.432 7.382 347 HH TYR 80 HH TYR 80 24.746 27.992 6.689 348 HB2 TYR 80 2HB TYR 80 22.108 25.045 11.674 349 HB3 TYR 80 1HB TYR 80 22.021 26.642 12.418 350 H GLU 81 HN GLU 81 24.273 27.245 14.776 351 HA GLU 81 HA GLU 81 23.385 26.055 17.159 352 HB2 GLU 81 2HB GLU 81 24.671 28.233 16.907 353 HB3 GLU 81 1HB GLU 81 23.131 29.009 16.539 354 HG2 GLU 81 2HG GLU 81 22.237 28.155 18.715 355 HG3 GLU 81 1HG GLU 81 23.842 27.525 19.087 356 H LYS 82 HN LYS 82 21.523 27.507 14.586 357 HA LYS 82 HA LYS 82 19.048 26.828 16.110 358 HB2 LYS 82 2HB LYS 82 19.536 29.341 14.482 359 HB3 LYS 82 1HB LYS 82 17.971 28.860 15.139 360 HG2 LYS 82 2HG LYS 82 19.012 28.837 17.427 361 HG3 LYS 82 1HG LYS 82 20.484 29.498 16.712 362 HD2 LYS 82 2HD LYS 82 19.108 31.413 15.831 363 HD3 LYS 82 1HD LYS 82 17.737 30.782 16.743 364 HE2 LYS 82 2HE LYS 82 20.409 31.584 17.939 365 HE3 LYS 82 1HE LYS 82 18.939 32.556 17.999 366 HZ1 LYS 82 3HZ LYS 82 18.407 31.449 19.826 367 HZ2 LYS 82 1HZ LYS 82 19.706 30.375 19.639 368 HZ3 LYS 82 2HZ LYS 82 18.220 30.048 18.884 369 H MET 83 HN MET 83 17.614 25.649 14.911 370 HA MET 83 HA MET 83 18.322 24.542 12.401 371 HB2 MET 83 2HB MET 83 15.877 23.907 12.265 372 HB3 MET 83 1HB MET 83 16.669 23.436 13.768 373 HG2 MET 83 2HG MET 83 15.818 25.904 14.469 374 HG3 MET 83 1HG MET 83 14.572 25.490 13.291 375 HE1 MET 83 3HE MET 83 14.467 25.161 17.301 376 HE2 MET 83 1HE MET 83 15.908 25.580 16.365 377 HE3 MET 83 2HE MET 83 15.815 24.031 17.200 378 H GLU 84 HN GLU 84 16.991 27.627 13.162 379 HA GLU 84 HA GLU 84 15.591 28.145 10.710 380 HB2 GLU 84 2HB GLU 84 16.953 30.005 12.678 381 HB3 GLU 84 1HB GLU 84 15.967 30.564 11.327 382 HG2 GLU 84 2HG GLU 84 14.029 29.359 12.195 383 HG3 GLU 84 1HG GLU 84 15.003 28.676 13.498 384 H SER 85 HN SER 85 18.977 28.591 11.690 385 HA SER 85 HA SER 85 19.824 29.978 9.334 386 HG SER 85 HG SER 85 22.233 29.690 9.077 387 HB2 SER 85 2HB SER 85 21.293 29.975 11.225 388 HB3 SER 85 1HB SER 85 21.299 28.213 11.301 389 H ALA 86 HN ALA 86 19.631 26.513 10.115 390 HA ALA 86 HA ALA 86 20.901 25.545 7.755 391 HB1 ALA 86 1HB ALA 86 18.717 24.310 9.458 392 HB2 ALA 86 2HB ALA 86 20.454 24.054 9.624 393 HB3 ALA 86 3HB ALA 86 19.604 23.445 8.203 394 H ASP 87 HN ASP 87 17.502 26.364 8.416 395 HA ASP 87 HA ASP 87 16.451 25.478 5.913 396 HB2 ASP 87 2HB ASP 87 15.108 26.152 7.948 397 HB3 ASP 87 1HB ASP 87 15.453 27.832 7.539 398 H GLN 88 HN GLN 88 17.704 28.662 6.931 399 HA GLN 88 HA GLN 88 17.221 29.966 4.423 400 HB2 GLN 88 2HB GLN 88 17.718 31.167 6.551 401 HB3 GLN 88 1HB GLN 88 19.377 30.576 6.468 402 HG2 GLN 88 2HG GLN 88 19.713 31.732 4.337 403 HG3 GLN 88 1HG GLN 88 18.030 32.259 4.332 404 HE21 GLN 88 1HE2 GLN 88 19.818 34.318 4.222 405 HE22 GLN 88 2HE2 GLN 88 19.965 35.095 5.724 406 H ALA 89 HN ALA 89 19.969 28.102 5.670 407 HA ALA 89 HA ALA 89 21.646 28.664 3.359 408 HB1 ALA 89 1HB ALA 89 21.928 27.347 5.895 409 HB2 ALA 89 2HB ALA 89 23.194 27.854 4.777 410 HB3 ALA 89 3HB ALA 89 22.470 26.253 4.623 411 H VAL 90 HN VAL 90 19.687 25.871 4.419 412 HA VAL 90 HA VAL 90 20.280 24.149 2.254 413 HB VAL 90 HB VAL 90 17.728 24.467 3.859 414 HG11 VAL 90 1HG1 VAL 90 17.003 22.363 2.968 415 HG12 VAL 90 2HG1 VAL 90 18.549 22.097 2.163 416 HG13 VAL 90 3HG1 VAL 90 17.456 23.354 1.582 417 HG21 VAL 90 3HG2 VAL 90 18.620 22.925 5.328 418 HG22 VAL 90 1HG2 VAL 90 20.110 23.702 4.795 419 HG23 VAL 90 2HG2 VAL 90 19.616 22.163 4.089 420 H ALA 91 HN ALA 91 18.085 26.896 2.458 421 HA ALA 91 HA ALA 91 16.830 26.326 -0.121 422 HB1 ALA 91 1HB ALA 91 16.753 29.059 1.078 423 HB2 ALA 91 2HB ALA 91 15.981 27.753 1.977 424 HB3 ALA 91 3HB ALA 91 15.457 28.123 0.335 425 H GLU 92 HN GLU 92 19.069 28.863 1.061 426 HA GLU 92 HA GLU 92 19.573 29.878 -1.601 427 HB2 GLU 92 2HB GLU 92 21.164 30.206 0.959 428 HB3 GLU 92 1HB GLU 92 21.395 31.152 -0.511 429 HG2 GLU 92 2HG GLU 92 18.814 31.010 1.080 430 HG3 GLU 92 1HG GLU 92 19.971 32.340 1.148 431 H LEU 93 HN LEU 93 21.377 27.713 0.590 432 HA LEU 93 HA LEU 93 23.627 27.363 -1.151 433 HG LEU 93 HG LEU 93 23.016 27.583 1.953 434 HB2 LEU 93 2HB LEU 93 22.493 25.464 0.926 435 HB3 LEU 93 1HB LEU 93 24.100 25.355 0.208 436 HD11 LEU 93 1HD1 LEU 93 25.142 26.943 3.244 437 HD12 LEU 93 2HD1 LEU 93 25.194 25.503 2.227 438 HD13 LEU 93 3HD1 LEU 93 23.815 25.781 3.291 439 HD21 LEU 93 3HD2 LEU 93 25.609 28.237 1.569 440 HD22 LEU 93 1HD2 LEU 93 24.308 28.875 0.563 441 HD23 LEU 93 2HD2 LEU 93 25.262 27.502 0.004 442 H ASN 94 HN ASN 94 20.561 25.597 -0.819 443 HA ASN 94 HA ASN 94 21.227 23.545 -2.728 444 HB2 ASN 94 2HB ASN 94 19.383 23.342 -1.067 445 HB3 ASN 94 1HB ASN 94 18.492 24.586 -1.942 446 HD21 ASN 94 1HD2 ASN 94 17.173 22.204 -1.817 447 HD22 ASN 94 2HD2 ASN 94 17.269 21.358 -3.284 448 H GLY 95 HN GLY 95 21.346 23.734 -4.912 449 HA2 GLY 95 2HA GLY 95 20.540 24.434 -7.071 450 HA3 GLY 95 1HA GLY 95 19.657 25.745 -6.287 451 H THR 96 HN THR 96 22.958 25.193 -5.357 452 HA THR 96 HA THR 96 23.714 27.685 -6.826 453 HB THR 96 HB THR 96 25.304 28.129 -5.076 454 HG1 THR 96 1HG THR 96 26.057 26.081 -4.677 455 HG21 THR 96 3HG2 THR 96 22.656 27.144 -3.988 456 HG22 THR 96 1HG2 THR 96 23.070 28.790 -4.466 457 HG23 THR 96 2HG2 THR 96 23.814 28.075 -3.037 458 H GLN 97 HN GLN 97 25.967 27.751 -7.626 459 HA GLN 97 HA GLN 97 27.166 25.055 -8.059 460 HB2 GLN 97 2HB GLN 97 25.806 25.712 -10.058 461 HB3 GLN 97 1HB GLN 97 26.816 27.147 -10.226 462 HG2 GLN 97 2HG GLN 97 28.819 25.676 -10.416 463 HG3 GLN 97 1HG GLN 97 27.761 24.266 -10.342 464 HE21 GLN 97 1HE2 GLN 97 29.256 24.487 -12.647 465 HE22 GLN 97 2HE2 GLN 97 28.290 24.991 -13.948 466 H VAL 98 HN VAL 98 29.453 25.101 -8.320 467 HA VAL 98 HA VAL 98 30.697 27.650 -7.408 468 HB VAL 98 HB VAL 98 32.243 25.094 -7.596 469 HG11 VAL 98 1HG1 VAL 98 32.447 26.486 -5.109 470 HG12 VAL 98 2HG1 VAL 98 32.501 27.681 -6.404 471 HG13 VAL 98 3HG1 VAL 98 33.660 26.352 -6.381 472 HG21 VAL 98 3HG2 VAL 98 31.341 24.283 -5.492 473 HG22 VAL 98 1HG2 VAL 98 30.005 24.491 -6.624 474 HG23 VAL 98 2HG2 VAL 98 30.283 25.688 -5.359 475 H GLU 99 HN GLU 99 33.350 26.768 -8.379 476 HA GLU 99 HA GLU 99 33.520 28.120 -10.811 477 HB2 GLU 99 2HB GLU 99 35.184 25.759 -9.883 478 HB3 GLU 99 1HB GLU 99 35.625 26.841 -11.204 479 HG2 GLU 99 2HG GLU 99 35.527 28.760 -9.608 480 HG3 GLU 99 1HG GLU 99 35.205 27.620 -8.301 481 H SER 100 HN SER 100 32.866 24.661 -10.287 482 HA SER 100 HA SER 100 31.399 24.500 -12.788 483 HG SER 100 HG SER 100 34.154 24.999 -14.100 484 HB2 SER 100 2HB SER 100 34.220 23.512 -12.621 485 HB3 SER 100 1HB SER 100 33.052 22.551 -13.528 486 H VAL 101 HN VAL 101 31.247 23.840 -9.841 487 HA VAL 101 HA VAL 101 30.407 20.993 -10.186 488 HB VAL 101 HB VAL 101 32.540 21.298 -8.828 489 HG11 VAL 101 1HG1 VAL 101 30.974 22.097 -6.466 490 HG12 VAL 101 2HG1 VAL 101 31.139 23.369 -7.678 491 HG13 VAL 101 3HG1 VAL 101 32.577 22.621 -6.984 492 HG21 VAL 101 3HG2 VAL 101 30.671 19.444 -8.618 493 HG22 VAL 101 1HG2 VAL 101 30.370 20.214 -7.060 494 HG23 VAL 101 2HG2 VAL 101 31.958 19.537 -7.415 495 H GLN 102 HN GLN 102 28.400 20.503 -9.305 496 HA GLN 102 HA GLN 102 26.765 22.798 -8.441 497 HB2 GLN 102 2HB GLN 102 26.078 19.882 -8.923 498 HB3 GLN 102 1HB GLN 102 24.903 21.125 -8.492 499 HG2 GLN 102 2HG GLN 102 25.545 22.409 -10.516 500 HG3 GLN 102 1HG GLN 102 26.676 21.129 -10.954 501 HE21 GLN 102 1HE2 GLN 102 24.562 21.753 -12.723 502 HE22 GLN 102 2HE2 GLN 102 23.440 20.479 -12.728 503 H LEU 103 HN LEU 103 25.924 23.049 -6.360 504 HA LEU 103 HA LEU 103 27.078 21.222 -4.301 505 HG LEU 103 HG LEU 103 28.333 23.775 -5.117 506 HB2 LEU 103 2HB LEU 103 26.094 24.082 -4.126 507 HB3 LEU 103 1HB LEU 103 26.581 23.127 -2.726 508 HD11 LEU 103 1HD1 LEU 103 27.770 25.626 -3.417 509 HD12 LEU 103 2HD1 LEU 103 29.480 25.300 -3.703 510 HD13 LEU 103 3HD1 LEU 103 28.692 24.673 -2.255 511 HD21 LEU 103 3HD2 LEU 103 30.043 22.862 -3.285 512 HD22 LEU 103 1HD2 LEU 103 29.215 21.764 -4.389 513 HD23 LEU 103 2HD2 LEU 103 28.616 21.977 -2.744 514 H LYS 104 HN LYS 104 25.719 20.124 -2.921 515 HA LYS 104 HA LYS 104 22.785 20.612 -3.259 516 HB2 LYS 104 2HB LYS 104 24.248 18.007 -2.730 517 HB3 LYS 104 1HB LYS 104 22.493 18.187 -2.746 518 HG2 LYS 104 2HG LYS 104 22.643 19.029 -5.093 519 HG3 LYS 104 1HG LYS 104 24.379 18.718 -5.063 520 HD2 LYS 104 2HD LYS 104 23.877 16.319 -4.521 521 HD3 LYS 104 1HD LYS 104 22.164 16.673 -4.737 522 HE2 LYS 104 2HE LYS 104 24.026 17.488 -6.925 523 HE3 LYS 104 1HE LYS 104 23.678 15.767 -6.752 524 HZ1 LYS 104 3HZ LYS 104 22.145 17.234 -8.199 525 HZ2 LYS 104 1HZ LYS 104 21.478 17.722 -6.718 526 HZ3 LYS 104 2HZ LYS 104 21.451 16.082 -7.161 527 H VAL 105 HN VAL 105 21.632 20.937 -1.381 528 HA VAL 105 HA VAL 105 23.103 20.508 1.190 529 HB VAL 105 HB VAL 105 21.138 22.729 0.553 530 HG11 VAL 105 1HG1 VAL 105 22.031 23.626 2.742 531 HG12 VAL 105 2HG1 VAL 105 22.828 22.070 2.981 532 HG13 VAL 105 3HG1 VAL 105 21.068 22.156 2.898 533 HG21 VAL 105 3HG2 VAL 105 22.917 23.722 -0.422 534 HG22 VAL 105 1HG2 VAL 105 24.011 22.452 0.125 535 HG23 VAL 105 2HG2 VAL 105 23.634 23.809 1.187 536 H ASN 106 HN ASN 106 21.874 19.681 2.913 537 HA ASN 106 HA ASN 106 18.985 19.207 2.493 538 HB2 ASN 106 2HB ASN 106 21.070 17.037 2.710 539 HB3 ASN 106 1HB ASN 106 19.402 16.753 3.202 540 HD21 ASN 106 1HD2 ASN 106 20.779 15.508 0.888 541 HD22 ASN 106 2HD2 ASN 106 19.908 15.972 -0.493 542 H ILE 107 HN ILE 107 18.437 17.608 4.626 543 HA ILE 107 HA ILE 107 19.522 19.192 6.918 544 HB ILE 107 HB ILE 107 16.907 17.665 6.789 545 HG12 ILE 107 1HG1 ILE 107 16.779 19.458 5.179 546 HG13 ILE 107 2HG1 ILE 107 15.913 19.985 6.622 547 HG21 ILE 107 1HG2 ILE 107 17.876 18.059 9.049 548 HG22 ILE 107 2HG2 ILE 107 16.374 18.951 8.803 549 HG23 ILE 107 3HG2 ILE 107 17.925 19.787 8.702 550 HD11 ILE 107 3HD1 ILE 107 18.404 20.856 7.234 551 HD12 ILE 107 1HD1 ILE 107 17.224 21.847 6.377 552 HD13 ILE 107 2HD1 ILE 107 18.465 20.979 5.476 553 H ALA 108 HN ALA 108 20.746 18.079 8.360 554 HA ALA 108 HA ALA 108 20.643 15.096 8.255 555 HB1 ALA 108 1HB ALA 108 22.884 15.785 9.736 556 HB2 ALA 108 2HB ALA 108 22.808 17.055 8.515 557 HB3 ALA 108 3HB ALA 108 22.880 15.362 8.024 558 H ARG 109 HN ARG 109 20.184 13.956 10.129 559 HA ARG 109 HA ARG 109 19.464 15.610 12.512 560 HE ARG 109 HE ARG 109 14.415 15.210 10.863 561 HB2 ARG 109 2HB ARG 109 18.517 12.850 11.681 562 HB3 ARG 109 1HB ARG 109 18.019 13.690 13.149 563 HG2 ARG 109 2HG ARG 109 17.152 15.558 11.733 564 HG3 ARG 109 1HG ARG 109 17.557 14.617 10.297 565 HD2 ARG 109 2HD ARG 109 16.083 12.776 11.171 566 HD3 ARG 109 1HD ARG 109 15.589 13.854 12.476 567 HH11 ARG 109 1HH1 ARG 109 14.242 12.124 10.013 568 HH12 ARG 109 2HH1 ARG 109 14.217 12.337 8.294 569 HH21 ARG 109 1HH2 ARG 109 15.175 15.667 8.427 570 HH22 ARG 109 2HH2 ARG 109 14.746 14.343 7.397 571 H LYS 110 HN LYS 110 22.126 14.274 11.613 572 HA LYS 110 HA LYS 110 22.725 12.143 13.399 573 HB2 LYS 110 2HB LYS 110 24.161 12.918 11.473 574 HB3 LYS 110 1HB LYS 110 24.654 14.287 12.470 575 HG2 LYS 110 2HG LYS 110 25.503 12.727 14.189 576 HG3 LYS 110 1HG LYS 110 25.014 11.360 13.187 577 HD2 LYS 110 2HD LYS 110 26.516 12.203 11.377 578 HD3 LYS 110 1HD LYS 110 27.060 13.481 12.465 579 HE2 LYS 110 2HE LYS 110 27.781 11.716 14.090 580 HE3 LYS 110 1HE LYS 110 27.356 10.492 12.893 581 HZ1 LYS 110 3HZ LYS 110 29.059 11.111 11.515 582 HZ2 LYS 110 1HZ LYS 110 29.770 11.390 13.029 583 HZ3 LYS 110 2HZ LYS 110 29.149 12.691 12.132 584 H GLN 111 HN GLN 111 23.292 15.658 13.786 585 HA GLN 111 HA GLN 111 24.464 15.761 16.280 586 HB2 GLN 111 2HB GLN 111 23.398 17.645 14.700 587 HB3 GLN 111 1HB GLN 111 22.112 17.560 15.903 588 HG2 GLN 111 2HG GLN 111 23.852 19.249 16.487 589 HG3 GLN 111 1HG GLN 111 23.718 17.975 17.700 590 HE21 GLN 111 1HE2 GLN 111 25.365 17.846 14.503 591 HE22 GLN 111 2HE2 GLN 111 26.902 17.507 15.138 592 HA PRO 112 HA PRO 112 21.140 13.626 18.548 593 HB2 PRO 112 2HB PRO 112 22.783 12.146 20.090 594 HB3 PRO 112 1HB PRO 112 22.349 11.692 18.443 595 HG2 PRO 112 2HG PRO 112 24.906 12.664 19.492 596 HG3 PRO 112 1HG PRO 112 24.569 11.814 17.986 597 HD2 PRO 112 1HD PRO 112 24.993 14.636 18.387 598 HD3 PRO 112 2HD PRO 112 24.746 13.774 16.870 599 H MET 113 HN MET 113 23.906 15.454 19.681 600 HA MET 113 HA MET 113 23.516 15.530 22.443 601 HB2 MET 113 2HB MET 113 24.277 17.991 22.219 602 HB3 MET 113 1HB MET 113 25.365 16.748 21.602 603 HG2 MET 113 2HG MET 113 25.274 17.698 19.564 604 HG3 MET 113 1HG MET 113 23.537 17.398 19.514 605 HE1 MET 113 3HE MET 113 23.261 20.146 18.020 606 HE2 MET 113 1HE MET 113 22.001 20.431 19.227 607 HE3 MET 113 2HE MET 113 22.374 18.789 18.711 608 H LEU 114 HN LEU 114 21.651 17.161 19.921 609 HA LEU 114 HA LEU 114 19.504 17.637 21.893 610 HG LEU 114 HG LEU 114 18.437 19.371 22.303 611 HB2 LEU 114 2HB LEU 114 21.164 19.676 21.668 612 HB3 LEU 114 1HB LEU 114 20.297 19.953 20.158 613 HD11 LEU 114 1HD1 LEU 114 20.669 21.229 22.873 614 HD12 LEU 114 2HD1 LEU 114 19.589 20.392 23.988 615 HD13 LEU 114 3HD1 LEU 114 19.059 21.874 23.191 616 HD21 LEU 114 3HD2 LEU 114 18.912 21.385 20.170 617 HD22 LEU 114 1HD2 LEU 114 17.928 21.917 21.535 618 HD23 LEU 114 2HD2 LEU 114 17.436 20.513 20.586 619 H ASP 115 HN ASP 115 19.998 16.021 19.401 620 HA ASP 115 HA ASP 115 18.834 15.451 17.442 621 HB2 ASP 115 2HB ASP 115 16.663 16.995 18.895 622 HB3 ASP 115 1HB ASP 115 16.396 15.977 17.480 623 H ALA 116 HN ALA 116 20.503 17.678 17.182 624 HA ALA 116 HA ALA 116 20.903 19.345 15.569 625 HB1 ALA 116 1HB ALA 116 19.798 18.859 13.673 626 HB2 ALA 116 2HB ALA 116 18.373 19.673 14.322 627 HB3 ALA 116 3HB ALA 116 18.597 17.943 14.584 628 H ALA 117 HN ALA 117 17.432 19.978 15.890 629 HA ALA 117 HA ALA 117 17.721 21.947 17.975 630 HB1 ALA 117 1HB ALA 117 18.174 23.832 16.823 631 HB2 ALA 117 2HB ALA 117 16.916 23.475 15.639 632 HB3 ALA 117 3HB ALA 117 18.537 22.811 15.433 633 H THR 118 HN THR 118 15.710 22.264 18.849 634 HA THR 118 HA THR 118 13.345 21.712 17.106 635 HB THR 118 HB THR 118 12.296 20.444 18.845 636 HG1 THR 118 1HG THR 118 12.928 20.532 20.879 637 HG21 THR 118 3HG2 THR 118 13.588 18.797 17.965 638 HG22 THR 118 1HG2 THR 118 14.478 18.919 19.482 639 HG23 THR 118 2HG2 THR 118 15.054 19.773 18.052 640 H GLY 119 HN GLY 119 11.294 22.625 18.159 641 HA2 GLY 119 2HA GLY 119 11.635 25.409 18.679 642 HA3 GLY 119 1HA GLY 119 10.144 24.509 18.956 643 H LYS 120 HN LYS 120 11.293 22.629 20.844 644 HA LYS 120 HA LYS 120 11.634 24.483 23.162 645 HB2 LYS 120 2HB LYS 120 9.623 22.962 23.151 646 HB3 LYS 120 1HB LYS 120 10.729 21.590 23.208 647 HG2 LYS 120 2HG LYS 120 11.704 22.492 25.309 648 HG3 LYS 120 1HG LYS 120 10.540 23.816 25.261 649 HD2 LYS 120 2HD LYS 120 8.694 22.121 25.284 650 HD3 LYS 120 1HD LYS 120 9.909 20.858 25.489 651 HE2 LYS 120 2HE LYS 120 9.183 21.356 27.695 652 HE3 LYS 120 1HE LYS 120 10.715 22.212 27.528 653 HZ1 LYS 120 3HZ LYS 120 8.060 23.258 27.863 654 HZ2 LYS 120 1HZ LYS 120 8.908 23.994 26.593 655 HZ3 LYS 120 2HZ LYS 120 9.563 23.994 28.160 656 H SER 121 HN SER 121 13.490 24.328 24.370 657 HA SER 121 HA SER 121 15.821 23.115 23.429 658 HG SER 121 HG SER 121 17.206 24.632 24.610 659 HB2 SER 121 2HB SER 121 14.916 23.996 26.147 660 HB3 SER 121 1HB SER 121 16.422 23.089 26.011 Start of MODEL 4 1 H ALA 35 HN ALA 35 27.197 22.863 30.696 2 HA ALA 35 HA ALA 35 24.600 23.166 30.034 3 HB1 ALA 35 1HB ALA 35 25.069 25.348 29.529 4 HB2 ALA 35 2HB ALA 35 26.326 24.916 28.370 5 HB3 ALA 35 3HB ALA 35 26.679 24.909 30.099 6 HA PRO 36 HA PRO 36 24.072 21.022 26.138 7 HB2 PRO 36 2HB PRO 36 21.498 21.741 25.729 8 HB3 PRO 36 1HB PRO 36 21.975 20.490 26.879 9 HG2 PRO 36 2HG PRO 36 21.286 23.362 27.378 10 HG3 PRO 36 1HG PRO 36 20.795 21.928 28.287 11 HD2 PRO 36 2HD PRO 36 22.794 23.538 29.129 12 HD3 PRO 36 1HD PRO 36 22.809 21.797 29.419 13 H ARG 37 HN ARG 37 24.156 21.617 23.965 14 HA ARG 37 HA ARG 37 23.718 24.505 23.338 15 HE ARG 37 HE ARG 37 28.018 22.463 23.201 16 HB2 ARG 37 2HB ARG 37 26.036 22.770 22.434 17 HB3 ARG 37 1HB ARG 37 25.706 24.396 21.838 18 HG2 ARG 37 2HG ARG 37 25.877 25.248 24.176 19 HG3 ARG 37 1HG ARG 37 26.308 23.623 24.709 20 HD2 ARG 37 2HD ARG 37 27.851 25.350 22.750 21 HD3 ARG 37 1HD ARG 37 28.351 24.911 24.383 22 HH11 ARG 37 1HH1 ARG 37 30.554 24.424 23.581 23 HH12 ARG 37 2HH1 ARG 37 31.375 24.043 22.105 24 HH21 ARG 37 1HH2 ARG 37 28.675 22.363 20.724 25 HH22 ARG 37 2HH2 ARG 37 30.311 22.876 20.487 26 H LYS 38 HN LYS 38 22.847 24.894 21.271 27 HA LYS 38 HA LYS 38 21.348 22.732 20.085 28 HB2 LYS 38 2HB LYS 38 21.969 25.494 18.993 29 HB3 LYS 38 1HB LYS 38 20.733 24.402 18.371 30 HG2 LYS 38 2HG LYS 38 19.641 24.422 20.617 31 HG3 LYS 38 1HG LYS 38 20.834 25.606 21.153 32 HD2 LYS 38 2HD LYS 38 20.095 27.116 19.298 33 HD3 LYS 38 1HD LYS 38 18.829 25.953 18.904 34 HE2 LYS 38 2HE LYS 38 19.168 27.388 21.556 35 HE3 LYS 38 1HE LYS 38 17.929 27.727 20.347 36 HZ1 LYS 38 3HZ LYS 38 18.115 25.546 22.248 37 HZ2 LYS 38 1HZ LYS 38 17.604 25.106 20.692 38 HZ3 LYS 38 2HZ LYS 38 16.745 26.282 21.566 39 H GLY 39 HN GLY 39 21.647 23.003 17.350 40 HA2 GLY 39 1HA GLY 39 23.984 23.145 16.018 41 HA3 GLY 39 2HA GLY 39 24.254 21.674 16.952 42 H ASN 40 HN ASN 40 22.658 23.036 14.207 43 HA ASN 40 HA ASN 40 21.112 20.534 13.756 44 HB2 ASN 40 2HB ASN 40 20.045 22.819 13.447 45 HB3 ASN 40 1HB ASN 40 21.115 23.045 12.063 46 HD21 ASN 40 1HD2 ASN 40 18.730 23.116 11.068 47 HD22 ASN 40 2HD2 ASN 40 18.145 21.629 10.494 48 H THR 41 HN THR 41 22.390 18.983 12.833 49 HA THR 41 HA THR 41 24.676 19.606 11.177 50 HB THR 41 HB THR 41 23.159 17.020 11.621 51 HG1 THR 41 1HG THR 41 24.484 18.202 13.303 52 HG21 THR 41 3HG2 THR 41 25.823 17.505 10.259 53 HG22 THR 41 1HG2 THR 41 24.338 16.996 9.457 54 HG23 THR 41 2HG2 THR 41 25.125 15.925 10.615 55 H LEU 42 HN LEU 42 24.774 19.849 8.981 56 HA LEU 42 HA LEU 42 22.240 19.403 7.456 57 HG LEU 42 HG LEU 42 23.667 22.054 8.822 58 HB2 LEU 42 2HB LEU 42 24.488 21.279 6.685 59 HB3 LEU 42 1HB LEU 42 22.853 21.224 6.027 60 HD11 LEU 42 1HD1 LEU 42 23.731 24.087 7.846 61 HD12 LEU 42 2HD1 LEU 42 21.988 23.946 7.613 62 HD13 LEU 42 3HD1 LEU 42 23.092 23.443 6.334 63 HD21 LEU 42 3HD2 LEU 42 21.573 20.644 8.737 64 HD22 LEU 42 1HD2 LEU 42 20.870 21.863 7.675 65 HD23 LEU 42 2HD2 LEU 42 21.317 22.286 9.328 66 H TYR 43 HN TYR 43 22.402 18.318 5.453 67 HA TYR 43 HA TYR 43 24.947 16.819 5.085 68 HD1 TYR 43 HD1 TYR 43 24.786 13.983 5.110 69 HD2 TYR 43 HD2 TYR 43 22.998 15.786 1.646 70 HE1 TYR 43 HE1 TYR 43 25.950 12.345 3.656 71 HE2 TYR 43 HE2 TYR 43 24.162 14.149 0.192 72 HH TYR 43 HH TYR 43 25.249 11.431 0.990 73 HB2 TYR 43 2HB TYR 43 22.841 15.514 5.291 74 HB3 TYR 43 1HB TYR 43 22.213 16.335 3.864 75 H VAL 44 HN VAL 44 26.293 17.478 3.490 76 HA VAL 44 HA VAL 44 25.096 18.940 1.169 77 HB VAL 44 HB VAL 44 27.801 19.402 2.464 78 HG11 VAL 44 1HG1 VAL 44 28.153 19.969 0.233 79 HG12 VAL 44 2HG1 VAL 44 27.535 21.495 0.868 80 HG13 VAL 44 3HG1 VAL 44 26.467 20.412 -0.026 81 HG21 VAL 44 3HG2 VAL 44 26.905 21.428 3.326 82 HG22 VAL 44 1HG2 VAL 44 25.674 20.212 3.668 83 HG23 VAL 44 2HG2 VAL 44 25.468 21.317 2.309 84 H TYR 45 HN TYR 45 25.712 18.203 -0.843 85 HA TYR 45 HA TYR 45 27.781 16.040 -0.898 86 HD1 TYR 45 HD1 TYR 45 27.100 13.358 -1.260 87 HD2 TYR 45 HD2 TYR 45 26.444 15.766 -4.757 88 HE1 TYR 45 HE1 TYR 45 28.226 11.642 -2.652 89 HE2 TYR 45 HE2 TYR 45 27.570 14.049 -6.149 90 HH TYR 45 HH TYR 45 28.303 10.917 -4.967 91 HB2 TYR 45 2HB TYR 45 25.446 15.230 -1.291 92 HB3 TYR 45 1HB TYR 45 25.347 16.301 -2.689 93 H GLY 46 HN GLY 46 29.310 16.159 -2.556 94 HA2 GLY 46 1HA GLY 46 29.117 17.653 -4.941 95 HA3 GLY 46 2HA GLY 46 29.809 18.730 -3.728 96 H GLU 47 HN GLU 47 31.589 18.421 -5.547 97 HA GLU 47 HA GLU 47 33.338 16.148 -4.689 98 HB2 GLU 47 2HB GLU 47 33.150 17.487 -7.405 99 HB3 GLU 47 1HB GLU 47 34.336 16.256 -6.970 100 HG2 GLU 47 2HG GLU 47 32.445 14.708 -6.417 101 HG3 GLU 47 1HG GLU 47 31.320 15.930 -7.012 102 H ASP 48 HN ASP 48 35.654 16.646 -4.674 103 HA ASP 48 HA ASP 48 37.373 18.035 -3.847 104 HB2 ASP 48 2HB ASP 48 36.284 19.818 -6.047 105 HB3 ASP 48 1HB ASP 48 37.906 19.886 -5.358 106 H MET 49 HN MET 49 35.295 18.266 -2.130 107 HA MET 49 HA MET 49 34.794 21.185 -1.805 108 HB2 MET 49 2HB MET 49 33.498 18.782 -0.491 109 HB3 MET 49 1HB MET 49 33.084 20.459 -0.140 110 HG2 MET 49 2HG MET 49 32.556 20.767 -2.579 111 HG3 MET 49 1HG MET 49 32.810 19.038 -2.804 112 HE1 MET 49 3HE MET 49 30.446 17.144 -1.169 113 HE2 MET 49 1HE MET 49 30.993 17.965 0.299 114 HE3 MET 49 2HE MET 49 32.144 17.570 -0.974 115 H THR 50 HN THR 50 35.499 22.259 0.052 116 HA THR 50 HA THR 50 37.190 20.646 1.924 117 HB THR 50 HB THR 50 38.284 23.098 2.157 118 HG1 THR 50 1HG THR 50 38.424 23.828 -0.099 119 HG21 THR 50 3HG2 THR 50 39.057 20.662 1.171 120 HG22 THR 50 1HG2 THR 50 40.102 22.081 1.253 121 HG23 THR 50 2HG2 THR 50 39.256 21.694 -0.246 122 HA PRO 51 HA PRO 51 34.863 22.312 5.301 123 HB2 PRO 51 2HB PRO 51 36.761 22.869 7.142 124 HB3 PRO 51 1HB PRO 51 36.273 21.223 6.732 125 HG2 PRO 51 2HG PRO 51 38.648 22.788 5.793 126 HG3 PRO 51 1HG PRO 51 38.563 21.100 6.304 127 HD2 PRO 51 1HD PRO 51 38.615 21.809 3.696 128 HD3 PRO 51 2HD PRO 51 37.734 20.390 4.265 129 H THR 52 HN THR 52 37.856 24.261 4.944 130 HA THR 52 HA THR 52 36.906 26.655 6.043 131 HB THR 52 HB THR 52 38.679 26.465 3.591 132 HG1 THR 52 1HG THR 52 40.227 26.655 5.554 133 HG21 THR 52 3HG2 THR 52 37.678 28.690 4.775 134 HG22 THR 52 1HG2 THR 52 39.261 28.634 4.000 135 HG23 THR 52 2HG2 THR 52 39.128 28.446 5.749 136 H LEU 53 HN LEU 53 36.676 25.597 2.633 137 HA LEU 53 HA LEU 53 35.237 27.871 1.697 138 HG LEU 53 HG LEU 53 33.347 26.812 -0.090 139 HB2 LEU 53 2HB LEU 53 36.275 26.126 0.229 140 HB3 LEU 53 1HB LEU 53 34.992 25.014 0.707 141 HD11 LEU 53 1HD1 LEU 53 35.344 28.511 -0.141 142 HD12 LEU 53 2HD1 LEU 53 34.112 28.595 -1.401 143 HD13 LEU 53 3HD1 LEU 53 35.659 27.816 -1.731 144 HD21 LEU 53 3HD2 LEU 53 34.722 26.131 -2.554 145 HD22 LEU 53 1HD2 LEU 53 33.189 25.523 -1.931 146 HD23 LEU 53 2HD2 LEU 53 34.702 24.759 -1.445 147 H LEU 54 HN LEU 54 34.059 24.729 2.926 148 HA LEU 54 HA LEU 54 31.288 25.225 2.636 149 HG LEU 54 HG LEU 54 32.700 23.061 2.151 150 HB2 LEU 54 2HB LEU 54 32.811 23.629 4.712 151 HB3 LEU 54 1HB LEU 54 31.051 23.631 4.599 152 HD11 LEU 54 1HD1 LEU 54 32.275 21.301 4.532 153 HD12 LEU 54 2HD1 LEU 54 33.651 21.386 3.434 154 HD13 LEU 54 3HD1 LEU 54 32.172 20.569 2.931 155 HD21 LEU 54 3HD2 LEU 54 29.901 22.677 3.117 156 HD22 LEU 54 1HD2 LEU 54 30.553 21.468 2.009 157 HD23 LEU 54 2HD2 LEU 54 30.482 23.161 1.523 158 H ARG 55 HN ARG 55 33.437 25.951 5.398 159 HA ARG 55 HA ARG 55 31.544 27.051 7.153 160 HE ARG 55 HE ARG 55 35.453 28.428 10.047 161 HB2 ARG 55 2HB ARG 55 34.393 27.949 6.622 162 HB3 ARG 55 1HB ARG 55 33.428 28.473 8.003 163 HG2 ARG 55 2HG ARG 55 33.180 26.122 8.721 164 HG3 ARG 55 1HG ARG 55 34.147 25.599 7.342 165 HD2 ARG 55 2HD ARG 55 35.622 25.710 9.248 166 HD3 ARG 55 1HD ARG 55 36.009 27.081 8.208 167 HH11 ARG 55 1HH1 ARG 55 35.082 25.713 11.588 168 HH12 ARG 55 2HH1 ARG 55 33.549 26.018 12.335 169 HH21 ARG 55 1HH2 ARG 55 32.822 28.759 10.338 170 HH22 ARG 55 2HH2 ARG 55 32.270 27.743 11.628 171 H GLY 56 HN GLY 56 33.184 28.593 4.397 172 HA2 GLY 56 2HA GLY 56 32.062 31.205 4.830 173 HA3 GLY 56 1HA GLY 56 32.727 30.621 3.303 174 H ALA 57 HN ALA 57 30.928 28.327 3.126 175 HA ALA 57 HA ALA 57 28.688 29.634 1.842 176 HB1 ALA 57 1HB ALA 57 29.765 27.358 1.255 177 HB2 ALA 57 2HB ALA 57 28.006 27.463 1.186 178 HB3 ALA 57 3HB ALA 57 28.792 26.706 2.572 179 H PHE 58 HN PHE 58 29.256 28.282 5.011 180 HA PHE 58 HA PHE 58 26.375 28.750 5.676 181 HD1 PHE 58 HD1 PHE 58 28.825 25.722 4.888 182 HD2 PHE 58 HD2 PHE 58 24.836 26.290 6.375 183 HE1 PHE 58 HE1 PHE 58 27.990 24.010 3.301 184 HE2 PHE 58 HE2 PHE 58 24.000 24.578 4.789 185 HZ PHE 58 HZ PHE 58 25.576 23.438 3.251 186 HB2 PHE 58 2HB PHE 58 28.404 26.917 6.994 187 HB3 PHE 58 1HB PHE 58 26.760 27.178 7.576 188 H SER 59 HN SER 59 29.172 30.332 5.799 189 HA SER 59 HA SER 59 29.381 31.047 8.599 190 HG SER 59 HG SER 59 31.425 33.797 7.096 191 HB2 SER 59 2HB SER 59 31.368 31.552 7.570 192 HB3 SER 59 1HB SER 59 30.592 31.949 6.037 193 HA PRO 60 HA PRO 60 27.082 35.095 7.196 194 HB2 PRO 60 2HB PRO 60 25.945 35.080 4.742 195 HB3 PRO 60 1HB PRO 60 27.597 35.629 5.034 196 HG2 PRO 60 2HG PRO 60 26.628 32.982 4.018 197 HG3 PRO 60 1HG PRO 60 27.977 33.967 3.441 198 HD2 PRO 60 2HD PRO 60 28.356 31.831 5.046 199 HD3 PRO 60 1HD PRO 60 29.386 33.260 5.136 200 H PHE 61 HN PHE 61 25.829 31.975 6.106 201 HA PHE 61 HA PHE 61 23.041 32.678 6.379 202 HD1 PHE 61 HD1 PHE 61 21.291 30.928 4.757 203 HD2 PHE 61 HD2 PHE 61 25.542 30.774 4.164 204 HE1 PHE 61 HE1 PHE 61 20.962 31.250 2.320 205 HE2 PHE 61 HE2 PHE 61 25.214 31.095 1.727 206 HZ PHE 61 HZ PHE 61 22.924 31.333 0.804 207 HB2 PHE 61 2HB PHE 61 24.532 30.053 6.270 208 HB3 PHE 61 1HB PHE 61 22.787 30.116 6.514 209 H GLY 62 HN GLY 62 25.500 31.466 8.589 210 HA2 GLY 62 1HA GLY 62 24.165 32.348 10.922 211 HA3 GLY 62 2HA GLY 62 23.748 30.648 10.700 212 H ASN 63 HN ASN 63 25.018 30.662 12.868 213 HA ASN 63 HA ASN 63 27.958 30.622 12.408 214 HB2 ASN 63 2HB ASN 63 26.318 30.507 14.958 215 HB3 ASN 63 1HB ASN 63 28.080 30.449 14.900 216 HD21 ASN 63 1HD2 ASN 63 26.788 32.583 16.256 217 HD22 ASN 63 2HD2 ASN 63 27.027 34.018 15.382 218 H ILE 64 HN ILE 64 29.106 28.712 12.491 219 HA ILE 64 HA ILE 64 27.491 26.225 12.718 220 HB ILE 64 HB ILE 64 30.324 26.603 11.701 221 HG12 ILE 64 2HG1 ILE 64 27.803 26.165 10.085 222 HG13 ILE 64 1HG1 ILE 64 28.471 27.768 10.394 223 HG21 ILE 64 1HG2 ILE 64 29.733 24.320 12.530 224 HG22 ILE 64 2HG2 ILE 64 30.043 24.354 10.794 225 HG23 ILE 64 3HG2 ILE 64 28.386 24.290 11.392 226 HD11 ILE 64 3HD1 ILE 64 30.686 26.348 9.554 227 HD12 ILE 64 1HD1 ILE 64 29.720 27.413 8.535 228 HD13 ILE 64 2HD1 ILE 64 29.400 25.678 8.550 229 H ILE 65 HN ILE 65 27.764 24.865 14.436 230 HA ILE 65 HA ILE 65 29.792 25.624 16.467 231 HB ILE 65 HB ILE 65 28.501 24.331 18.025 232 HG12 ILE 65 2HG1 ILE 65 26.954 23.321 15.617 233 HG13 ILE 65 1HG1 ILE 65 28.124 22.383 16.544 234 HG21 ILE 65 1HG2 ILE 65 26.305 25.443 16.317 235 HG22 ILE 65 2HG2 ILE 65 27.540 26.546 16.921 236 HG23 ILE 65 3HG2 ILE 65 26.563 25.610 18.053 237 HD11 ILE 65 3HD1 ILE 65 26.091 21.744 17.521 238 HD12 ILE 65 1HD1 ILE 65 25.403 23.362 17.375 239 HD13 ILE 65 2HD1 ILE 65 26.634 23.034 18.596 240 H ASP 66 HN ASP 66 29.085 23.168 14.121 241 HA ASP 66 HA ASP 66 31.587 21.775 14.905 242 HB2 ASP 66 2HB ASP 66 29.616 20.594 15.963 243 HB3 ASP 66 1HB ASP 66 29.020 20.270 14.335 244 H LEU 67 HN LEU 67 32.752 21.136 13.124 245 HA LEU 67 HA LEU 67 31.371 21.296 10.473 246 HG LEU 67 HG LEU 67 33.976 23.111 8.763 247 HB2 LEU 67 2HB LEU 67 32.992 23.178 10.941 248 HB3 LEU 67 1HB LEU 67 34.275 21.972 11.029 249 HD11 LEU 67 1HD1 LEU 67 33.505 20.154 8.515 250 HD12 LEU 67 2HD1 LEU 67 34.967 20.740 9.312 251 HD13 LEU 67 3HD1 LEU 67 34.640 21.177 7.634 252 HD21 LEU 67 3HD2 LEU 67 32.128 22.425 7.380 253 HD22 LEU 67 1HD2 LEU 67 31.449 23.020 8.896 254 HD23 LEU 67 2HD2 LEU 67 31.566 21.285 8.602 255 H SER 68 HN SER 68 31.247 19.258 9.655 256 HA SER 68 HA SER 68 33.634 17.489 9.993 257 HG SER 68 HG SER 68 32.576 14.887 10.980 258 HB2 SER 68 2HB SER 68 31.788 16.748 11.479 259 HB3 SER 68 1HB SER 68 30.726 16.625 10.076 260 H MET 69 HN MET 69 34.156 16.231 8.171 261 HA MET 69 HA MET 69 32.452 16.660 5.752 262 HB2 MET 69 2HB MET 69 35.468 16.871 5.979 263 HB3 MET 69 1HB MET 69 34.612 16.759 4.441 264 HG2 MET 69 2HG MET 69 33.245 18.772 5.193 265 HG3 MET 69 1HG MET 69 34.388 18.943 6.526 266 HE1 MET 69 3HE MET 69 35.306 18.407 2.260 267 HE2 MET 69 1HE MET 69 34.337 19.887 2.320 268 HE3 MET 69 2HE MET 69 33.734 18.404 3.057 269 H ASP 70 HN ASP 70 32.308 14.860 4.376 270 HA ASP 70 HA ASP 70 33.638 12.380 5.391 271 HB2 ASP 70 2HB ASP 70 30.977 12.779 5.355 272 HB3 ASP 70 1HB ASP 70 31.189 12.182 3.710 273 HA PRO 71 HA PRO 71 35.471 12.787 1.270 274 HB2 PRO 71 2HB PRO 71 37.538 11.114 1.740 275 HB3 PRO 71 1HB PRO 71 37.521 12.807 2.235 276 HG2 PRO 71 2HG PRO 71 37.093 10.353 3.855 277 HG3 PRO 71 1HG PRO 71 37.861 11.872 4.307 278 HD2 PRO 71 2HD PRO 71 35.286 11.154 5.011 279 HD3 PRO 71 1HD PRO 71 35.891 12.807 4.969 280 HA PRO 72 HA PRO 72 34.924 8.005 0.626 281 HB2 PRO 72 2HB PRO 72 33.250 6.733 2.310 282 HB3 PRO 72 1HB PRO 72 34.988 6.845 2.593 283 HG2 PRO 72 2HG PRO 72 32.759 8.391 3.826 284 HG3 PRO 72 1HG PRO 72 34.246 7.795 4.563 285 HD2 PRO 72 1HD PRO 72 33.850 10.391 3.783 286 HD3 PRO 72 2HD PRO 72 35.433 9.639 3.930 287 H ARG 73 HN ARG 73 32.266 9.947 1.919 288 HA ARG 73 HA ARG 73 30.482 8.817 -0.192 289 HE ARG 73 HE ARG 73 26.396 8.884 2.955 290 HB2 ARG 73 2HB ARG 73 29.824 10.400 2.310 291 HB3 ARG 73 1HB ARG 73 28.637 9.832 1.136 292 HG2 ARG 73 2HG ARG 73 29.398 7.495 1.547 293 HG3 ARG 73 1HG ARG 73 30.502 8.096 2.784 294 HD2 ARG 73 2HD ARG 73 28.472 7.336 3.879 295 HD3 ARG 73 1HD ARG 73 28.524 9.098 3.968 296 HH11 ARG 73 1HH1 ARG 73 27.124 5.864 2.382 297 HH12 ARG 73 2HH1 ARG 73 26.818 5.825 0.678 298 HH21 ARG 73 1HH2 ARG 73 26.694 9.275 0.353 299 HH22 ARG 73 2HH2 ARG 73 26.574 7.756 -0.470 300 H ASN 74 HN ASN 74 32.550 11.339 0.216 301 HA ASN 74 HA ASN 74 32.760 13.433 -0.823 302 HB2 ASN 74 2HB ASN 74 30.578 12.302 -2.603 303 HB3 ASN 74 1HB ASN 74 31.596 13.692 -2.979 304 HD21 ASN 74 1HD2 ASN 74 31.360 10.814 -4.175 305 HD22 ASN 74 2HD2 ASN 74 32.972 10.289 -4.243 306 H CYS 75 HN CYS 75 31.027 13.272 1.452 307 HA CYS 75 HA CYS 75 29.156 15.495 0.770 308 HG CYS 75 HG CYS 75 28.280 12.832 3.891 309 HB2 CYS 75 2HB CYS 75 27.467 14.523 2.281 310 HB3 CYS 75 1HB CYS 75 27.844 13.409 0.968 311 H ALA 76 HN ALA 76 29.098 17.125 2.315 312 HA ALA 76 HA ALA 76 30.960 16.773 4.625 313 HB1 ALA 76 1HB ALA 76 31.258 18.631 2.796 314 HB2 ALA 76 2HB ALA 76 31.471 19.053 4.494 315 HB3 ALA 76 3HB ALA 76 29.961 19.444 3.670 316 H PHE 77 HN PHE 77 30.274 17.573 6.701 317 HA PHE 77 HA PHE 77 27.305 17.869 6.932 318 HD1 PHE 77 HD1 PHE 77 25.794 15.711 8.042 319 HD2 PHE 77 HD2 PHE 77 29.938 14.850 7.312 320 HE1 PHE 77 HE1 PHE 77 25.155 13.599 6.912 321 HE2 PHE 77 HE2 PHE 77 29.299 12.738 6.181 322 HZ PHE 77 HZ PHE 77 26.908 12.112 5.980 323 HB2 PHE 77 2HB PHE 77 29.291 16.608 8.845 324 HB3 PHE 77 1HB PHE 77 27.598 16.909 9.237 325 H VAL 78 HN VAL 78 26.610 19.747 7.849 326 HA VAL 78 HA VAL 78 28.612 21.367 9.372 327 HB VAL 78 HB VAL 78 26.439 22.407 7.534 328 HG11 VAL 78 1HG1 VAL 78 27.322 24.583 7.995 329 HG12 VAL 78 2HG1 VAL 78 28.722 23.910 8.829 330 HG13 VAL 78 3HG1 VAL 78 27.121 23.800 9.562 331 HG21 VAL 78 3HG2 VAL 78 28.057 21.591 6.058 332 HG22 VAL 78 1HG2 VAL 78 29.380 21.905 7.182 333 HG23 VAL 78 2HG2 VAL 78 28.616 23.242 6.324 334 H THR 79 HN THR 79 27.920 22.010 11.373 335 HA THR 79 HA THR 79 25.101 21.382 12.094 336 HB THR 79 HB THR 79 27.396 22.049 13.955 337 HG1 THR 79 1HG THR 79 27.755 20.164 12.644 338 HG21 THR 79 3HG2 THR 79 24.813 22.098 14.564 339 HG22 THR 79 1HG2 THR 79 25.993 21.407 15.678 340 HG23 THR 79 2HG2 THR 79 25.033 20.350 14.643 341 H TYR 80 HN TYR 80 23.694 23.008 12.637 342 HA TYR 80 HA TYR 80 24.799 25.785 12.665 343 HD1 TYR 80 HD1 TYR 80 24.683 27.470 11.860 344 HD2 TYR 80 HD2 TYR 80 22.242 25.102 9.236 345 HE1 TYR 80 HE1 TYR 80 25.610 28.680 9.903 346 HE2 TYR 80 HE2 TYR 80 23.169 26.311 7.281 347 HH TYR 80 HH TYR 80 25.648 28.842 7.692 348 HB2 TYR 80 2HB TYR 80 22.361 24.559 11.530 349 HB3 TYR 80 1HB TYR 80 22.100 26.095 12.355 350 H GLU 81 HN GLU 81 24.202 27.174 14.367 351 HA GLU 81 HA GLU 81 23.577 25.937 16.888 352 HB2 GLU 81 2HB GLU 81 24.878 28.076 16.597 353 HB3 GLU 81 1HB GLU 81 23.365 28.879 16.181 354 HG2 GLU 81 2HG GLU 81 22.421 28.170 18.375 355 HG3 GLU 81 1HG GLU 81 23.980 27.458 18.790 356 H LYS 82 HN LYS 82 21.638 27.526 14.420 357 HA LYS 82 HA LYS 82 19.211 26.846 16.028 358 HB2 LYS 82 2HB LYS 82 19.643 29.287 14.279 359 HB3 LYS 82 1HB LYS 82 18.120 28.856 15.057 360 HG2 LYS 82 2HG LYS 82 19.285 28.936 17.271 361 HG3 LYS 82 1HG LYS 82 20.739 29.500 16.447 362 HD2 LYS 82 2HD LYS 82 19.367 31.413 15.527 363 HD3 LYS 82 1HD LYS 82 18.051 30.895 16.580 364 HE2 LYS 82 2HE LYS 82 20.771 31.312 17.771 365 HE3 LYS 82 1HE LYS 82 19.783 32.725 17.400 366 HZ1 LYS 82 3HZ LYS 82 18.400 32.283 19.072 367 HZ2 LYS 82 1HZ LYS 82 19.605 31.240 19.653 368 HZ3 LYS 82 2HZ LYS 82 18.331 30.623 18.715 369 H MET 83 HN MET 83 17.374 26.184 14.757 370 HA MET 83 HA MET 83 18.068 24.688 12.385 371 HB2 MET 83 2HB MET 83 15.369 25.415 13.565 372 HB3 MET 83 1HB MET 83 15.608 24.268 12.247 373 HG2 MET 83 2HG MET 83 17.189 23.007 13.795 374 HG3 MET 83 1HG MET 83 16.607 24.045 15.096 375 HE1 MET 83 3HE MET 83 15.906 20.932 15.804 376 HE2 MET 83 1HE MET 83 14.438 21.628 16.505 377 HE3 MET 83 2HE MET 83 15.939 22.550 16.499 378 H GLU 84 HN GLU 84 16.974 27.929 12.949 379 HA GLU 84 HA GLU 84 15.826 28.387 10.334 380 HB2 GLU 84 2HB GLU 84 16.979 30.324 12.362 381 HB3 GLU 84 1HB GLU 84 16.066 30.795 10.929 382 HG2 GLU 84 2HG GLU 84 14.124 29.511 11.736 383 HG3 GLU 84 1HG GLU 84 15.037 29.012 13.160 384 H SER 85 HN SER 85 19.077 28.626 11.687 385 HA SER 85 HA SER 85 20.243 30.056 9.480 386 HG SER 85 HG SER 85 21.851 29.780 12.709 387 HB2 SER 85 2HB SER 85 21.603 28.086 11.341 388 HB3 SER 85 1HB SER 85 22.382 29.358 10.401 389 H ALA 86 HN ALA 86 19.535 26.659 10.062 390 HA ALA 86 HA ALA 86 21.100 25.743 7.766 391 HB1 ALA 86 1HB ALA 86 20.176 23.555 8.262 392 HB2 ALA 86 2HB ALA 86 18.937 24.267 9.296 393 HB3 ALA 86 3HB ALA 86 20.631 24.318 9.786 394 H ASP 87 HN ASP 87 17.739 26.586 8.436 395 HA ASP 87 HA ASP 87 16.626 25.533 6.009 396 HB2 ASP 87 2HB ASP 87 15.299 26.261 8.015 397 HB3 ASP 87 1HB ASP 87 15.660 27.933 7.589 398 H GLN 88 HN GLN 88 18.011 28.702 6.840 399 HA GLN 88 HA GLN 88 17.434 29.856 4.239 400 HB2 GLN 88 2HB GLN 88 17.813 31.189 6.342 401 HB3 GLN 88 1HB GLN 88 19.516 30.741 6.258 402 HG2 GLN 88 2HG GLN 88 19.660 31.768 4.005 403 HG3 GLN 88 1HG GLN 88 17.966 32.246 4.126 404 HE21 GLN 88 1HE2 GLN 88 19.718 34.334 3.799 405 HE22 GLN 88 2HE2 GLN 88 19.947 35.174 5.255 406 H ALA 89 HN ALA 89 20.251 28.276 5.717 407 HA ALA 89 HA ALA 89 21.949 28.735 3.396 408 HB1 ALA 89 1HB ALA 89 22.381 27.950 6.024 409 HB2 ALA 89 2HB ALA 89 23.592 27.956 4.742 410 HB3 ALA 89 3HB ALA 89 22.698 26.479 5.104 411 H VAL 90 HN VAL 90 20.024 26.010 4.634 412 HA VAL 90 HA VAL 90 20.837 24.138 2.616 413 HB VAL 90 HB VAL 90 18.348 24.315 4.333 414 HG11 VAL 90 1HG1 VAL 90 17.421 22.766 2.986 415 HG12 VAL 90 2HG1 VAL 90 18.736 21.675 3.423 416 HG13 VAL 90 3HG1 VAL 90 18.876 22.697 1.992 417 HG21 VAL 90 3HG2 VAL 90 21.053 23.411 4.736 418 HG22 VAL 90 1HG2 VAL 90 19.955 22.037 4.858 419 HG23 VAL 90 2HG2 VAL 90 19.721 23.446 5.892 420 H ALA 91 HN ALA 91 18.137 26.450 2.800 421 HA ALA 91 HA ALA 91 17.014 25.623 0.251 422 HB1 ALA 91 1HB ALA 91 15.396 26.655 1.546 423 HB2 ALA 91 2HB ALA 91 15.911 28.023 0.559 424 HB3 ALA 91 3HB ALA 91 16.527 27.839 2.202 425 H GLU 92 HN GLU 92 19.205 28.205 1.318 426 HA GLU 92 HA GLU 92 19.326 29.410 -1.340 427 HB2 GLU 92 2HB GLU 92 19.829 30.425 1.080 428 HB3 GLU 92 1HB GLU 92 21.464 29.895 0.688 429 HG2 GLU 92 2HG GLU 92 19.828 31.497 -1.276 430 HG3 GLU 92 1HG GLU 92 20.783 32.289 -0.022 431 H LEU 93 HN LEU 93 21.618 27.511 0.656 432 HA LEU 93 HA LEU 93 23.633 27.316 -1.360 433 HG LEU 93 HG LEU 93 23.626 27.911 1.361 434 HB2 LEU 93 2HB LEU 93 22.974 25.451 0.939 435 HB3 LEU 93 1HB LEU 93 24.443 25.359 -0.032 436 HD11 LEU 93 1HD1 LEU 93 24.736 27.288 3.318 437 HD12 LEU 93 2HD1 LEU 93 25.653 26.016 2.512 438 HD13 LEU 93 3HD1 LEU 93 23.943 25.779 2.871 439 HD21 LEU 93 3HD2 LEU 93 26.187 28.159 1.250 440 HD22 LEU 93 1HD2 LEU 93 25.307 28.285 -0.273 441 HD23 LEU 93 2HD2 LEU 93 26.151 26.791 0.137 442 H ASN 94 HN ASN 94 20.764 25.360 -0.678 443 HA ASN 94 HA ASN 94 21.451 23.289 -2.599 444 HB2 ASN 94 2HB ASN 94 19.869 23.013 -0.635 445 HB3 ASN 94 1HB ASN 94 18.697 23.967 -1.544 446 HD21 ASN 94 1HD2 ASN 94 17.861 21.422 -1.015 447 HD22 ASN 94 2HD2 ASN 94 17.982 20.431 -2.386 448 H GLY 95 HN GLY 95 21.145 23.356 -4.778 449 HA2 GLY 95 2HA GLY 95 19.974 23.913 -6.797 450 HA3 GLY 95 1HA GLY 95 19.077 25.145 -5.909 451 H THR 96 HN THR 96 22.535 24.955 -5.535 452 HA THR 96 HA THR 96 22.821 27.344 -7.312 453 HB THR 96 HB THR 96 24.333 28.343 -5.709 454 HG1 THR 96 1HG THR 96 23.869 26.286 -3.876 455 HG21 THR 96 3HG2 THR 96 21.952 27.253 -4.189 456 HG22 THR 96 1HG2 THR 96 21.862 28.589 -5.337 457 HG23 THR 96 2HG2 THR 96 22.820 28.755 -3.866 458 H GLN 97 HN GLN 97 24.930 27.559 -8.308 459 HA GLN 97 HA GLN 97 26.466 24.989 -8.346 460 HB2 GLN 97 2HB GLN 97 25.273 25.483 -10.474 461 HB3 GLN 97 1HB GLN 97 26.146 27.011 -10.586 462 HG2 GLN 97 2HG GLN 97 28.290 25.778 -10.610 463 HG3 GLN 97 1HG GLN 97 27.409 24.253 -10.518 464 HE21 GLN 97 1HE2 GLN 97 28.996 24.503 -12.738 465 HE22 GLN 97 2HE2 GLN 97 28.071 24.836 -14.122 466 H VAL 98 HN VAL 98 28.682 25.135 -8.067 467 HA VAL 98 HA VAL 98 29.725 27.690 -7.084 468 HB VAL 98 HB VAL 98 31.518 25.351 -7.591 469 HG11 VAL 98 1HG1 VAL 98 31.392 26.548 -4.928 470 HG12 VAL 98 2HG1 VAL 98 31.666 27.751 -6.188 471 HG13 VAL 98 3HG1 VAL 98 32.770 26.386 -6.017 472 HG21 VAL 98 3HG2 VAL 98 29.029 25.268 -6.006 473 HG22 VAL 98 1HG2 VAL 98 30.469 24.746 -5.132 474 HG23 VAL 98 2HG2 VAL 98 30.009 23.942 -6.633 475 H GLU 99 HN GLU 99 32.455 27.206 -8.105 476 HA GLU 99 HA GLU 99 32.355 28.815 -10.453 477 HB2 GLU 99 2HB GLU 99 34.542 26.970 -9.444 478 HB3 GLU 99 1HB GLU 99 34.752 28.160 -10.730 479 HG2 GLU 99 2HG GLU 99 34.049 29.950 -9.140 480 HG3 GLU 99 1HG GLU 99 33.957 28.740 -7.860 481 H SER 100 HN SER 100 32.533 25.299 -10.021 482 HA SER 100 HA SER 100 31.500 24.923 -12.738 483 HG SER 100 HG SER 100 33.856 25.834 -13.759 484 HB2 SER 100 2HB SER 100 34.351 24.543 -12.074 485 HB3 SER 100 1HB SER 100 33.601 23.169 -12.887 486 H VAL 101 HN VAL 101 30.959 24.264 -9.801 487 HA VAL 101 HA VAL 101 30.353 21.389 -10.283 488 HB VAL 101 HB VAL 101 31.522 22.479 -7.704 489 HG11 VAL 101 1HG1 VAL 101 30.721 19.690 -8.587 490 HG12 VAL 101 2HG1 VAL 101 29.962 20.645 -7.314 491 HG13 VAL 101 3HG1 VAL 101 31.609 20.050 -7.107 492 HG21 VAL 101 3HG2 VAL 101 33.148 20.452 -8.762 493 HG22 VAL 101 1HG2 VAL 101 33.516 22.176 -8.715 494 HG23 VAL 101 2HG2 VAL 101 32.747 21.476 -10.140 495 H GLN 102 HN GLN 102 28.509 20.638 -9.041 496 HA GLN 102 HA GLN 102 26.724 22.883 -8.229 497 HB2 GLN 102 2HB GLN 102 26.091 20.000 -8.936 498 HB3 GLN 102 1HB GLN 102 24.896 21.219 -8.491 499 HG2 GLN 102 2HG GLN 102 25.546 22.591 -10.417 500 HG3 GLN 102 1HG GLN 102 26.800 21.428 -10.844 501 HE21 GLN 102 1HE2 GLN 102 24.747 22.007 -12.712 502 HE22 GLN 102 2HE2 GLN 102 23.737 20.651 -12.866 503 H LEU 103 HN LEU 103 25.757 22.890 -6.175 504 HA LEU 103 HA LEU 103 26.915 20.924 -4.243 505 HG LEU 103 HG LEU 103 28.056 23.555 -4.941 506 HB2 LEU 103 2HB LEU 103 25.840 23.722 -3.770 507 HB3 LEU 103 1HB LEU 103 26.472 22.652 -2.519 508 HD11 LEU 103 1HD1 LEU 103 29.240 25.039 -3.365 509 HD12 LEU 103 2HD1 LEU 103 28.151 24.537 -2.071 510 HD13 LEU 103 3HD1 LEU 103 27.526 25.452 -3.444 511 HD21 LEU 103 3HD2 LEU 103 28.846 21.446 -4.042 512 HD22 LEU 103 1HD2 LEU 103 28.779 22.074 -2.396 513 HD23 LEU 103 2HD2 LEU 103 29.965 22.711 -3.535 514 H LYS 104 HN LYS 104 25.520 19.734 -2.963 515 HA LYS 104 HA LYS 104 22.596 20.240 -3.361 516 HB2 LYS 104 2HB LYS 104 24.015 17.587 -2.954 517 HB3 LYS 104 1HB LYS 104 22.271 17.800 -3.103 518 HG2 LYS 104 2HG LYS 104 22.602 18.779 -5.361 519 HG3 LYS 104 1HG LYS 104 24.338 18.508 -5.210 520 HD2 LYS 104 2HD LYS 104 23.890 16.070 -4.910 521 HD3 LYS 104 1HD LYS 104 22.176 16.379 -5.187 522 HE2 LYS 104 2HE LYS 104 22.504 16.925 -7.436 523 HE3 LYS 104 1HE LYS 104 24.200 17.343 -7.189 524 HZ1 LYS 104 3HZ LYS 104 23.950 15.227 -8.338 525 HZ2 LYS 104 1HZ LYS 104 23.061 14.605 -7.033 526 HZ3 LYS 104 2HZ LYS 104 24.696 15.017 -6.827 527 H VAL 105 HN VAL 105 21.350 20.312 -1.500 528 HA VAL 105 HA VAL 105 22.785 19.781 1.073 529 HB VAL 105 HB VAL 105 20.632 21.866 0.630 530 HG11 VAL 105 1HG1 VAL 105 22.277 20.910 2.921 531 HG12 VAL 105 2HG1 VAL 105 20.637 21.562 2.907 532 HG13 VAL 105 3HG1 VAL 105 22.021 22.651 2.801 533 HG21 VAL 105 3HG2 VAL 105 22.201 23.379 -0.005 534 HG22 VAL 105 1HG2 VAL 105 23.190 21.974 -0.401 535 HG23 VAL 105 2HG2 VAL 105 23.378 22.774 1.160 536 H ASN 106 HN ASN 106 21.695 18.523 2.550 537 HA ASN 106 HA ASN 106 18.822 17.927 2.028 538 HB2 ASN 106 2HB ASN 106 21.021 15.892 2.501 539 HB3 ASN 106 1HB ASN 106 19.298 15.517 2.536 540 HD21 ASN 106 1HD2 ASN 106 21.065 14.325 0.601 541 HD22 ASN 106 2HD2 ASN 106 20.638 14.907 -0.935 542 H ILE 107 HN ILE 107 18.222 16.296 4.076 543 HA ILE 107 HA ILE 107 19.042 17.890 6.464 544 HB ILE 107 HB ILE 107 16.625 16.087 6.174 545 HG12 ILE 107 2HG1 ILE 107 16.359 17.851 4.562 546 HG13 ILE 107 1HG1 ILE 107 15.394 18.298 5.967 547 HG21 ILE 107 1HG2 ILE 107 16.782 16.391 8.442 548 HG22 ILE 107 2HG2 ILE 107 16.010 17.929 8.055 549 HG23 ILE 107 3HG2 ILE 107 17.758 17.851 8.282 550 HD11 ILE 107 3HD1 ILE 107 17.826 19.568 4.866 551 HD12 ILE 107 1HD1 ILE 107 17.814 19.392 6.621 552 HD13 ILE 107 2HD1 ILE 107 16.518 20.276 5.816 553 H ALA 108 HN ALA 108 20.072 16.866 8.139 554 HA ALA 108 HA ALA 108 20.477 13.917 7.857 555 HB1 ALA 108 1HB ALA 108 22.565 15.164 7.721 556 HB2 ALA 108 2HB ALA 108 22.519 14.299 9.258 557 HB3 ALA 108 3HB ALA 108 22.184 16.030 9.209 558 H ARG 109 HN ARG 109 20.346 12.628 9.791 559 HA ARG 109 HA ARG 109 18.602 13.858 11.867 560 HE ARG 109 HE ARG 109 18.222 9.245 10.779 561 HB2 ARG 109 2HB ARG 109 19.190 10.947 11.245 562 HB3 ARG 109 1HB ARG 109 18.075 11.515 12.489 563 HG2 ARG 109 2HG ARG 109 16.777 12.709 10.718 564 HG3 ARG 109 1HG ARG 109 17.849 12.012 9.504 565 HD2 ARG 109 2HD ARG 109 16.083 10.466 11.428 566 HD3 ARG 109 1HD ARG 109 15.815 10.655 9.694 567 HH11 ARG 109 1HH1 ARG 109 16.765 10.092 7.927 568 HH12 ARG 109 2HH1 ARG 109 16.633 8.488 7.289 569 HH21 ARG 109 1HH2 ARG 109 17.545 6.946 10.256 570 HH22 ARG 109 2HH2 ARG 109 17.075 6.706 8.607 571 H LYS 110 HN LYS 110 21.761 13.664 11.481 572 HA LYS 110 HA LYS 110 22.540 12.347 13.981 573 HB2 LYS 110 2HB LYS 110 24.107 14.063 12.032 574 HB3 LYS 110 1HB LYS 110 24.809 13.217 13.411 575 HG2 LYS 110 2HG LYS 110 23.951 11.067 12.477 576 HG3 LYS 110 1HG LYS 110 23.366 11.946 11.065 577 HD2 LYS 110 2HD LYS 110 25.695 12.726 10.631 578 HD3 LYS 110 1HD LYS 110 26.248 11.745 11.988 579 HE2 LYS 110 2HE LYS 110 25.838 9.740 10.881 580 HE3 LYS 110 1HE LYS 110 24.607 10.450 9.837 581 HZ1 LYS 110 3HZ LYS 110 27.037 11.764 9.374 582 HZ2 LYS 110 1HZ LYS 110 26.144 10.797 8.305 583 HZ3 LYS 110 2HZ LYS 110 27.325 10.091 9.302 584 H GLN 111 HN GLN 111 24.083 13.783 15.444 585 HA GLN 111 HA GLN 111 24.348 15.690 16.806 586 HB2 GLN 111 2HB GLN 111 23.866 16.848 14.477 587 HB3 GLN 111 1HB GLN 111 22.299 17.190 15.207 588 HG2 GLN 111 2HG GLN 111 23.997 19.010 15.560 589 HG3 GLN 111 1HG GLN 111 23.347 18.348 17.059 590 HE21 GLN 111 1HE2 GLN 111 25.889 17.036 14.862 591 HE22 GLN 111 2HE2 GLN 111 27.095 16.966 16.055 592 HA PRO 112 HA PRO 112 19.978 14.417 18.279 593 HB2 PRO 112 2HB PRO 112 20.684 12.385 19.907 594 HB3 PRO 112 1HB PRO 112 20.285 12.153 18.203 595 HG2 PRO 112 2HG PRO 112 22.965 12.311 19.522 596 HG3 PRO 112 1HG PRO 112 22.417 11.227 18.240 597 HD2 PRO 112 1HD PRO 112 23.935 13.436 17.761 598 HD3 PRO 112 2HD PRO 112 22.784 12.790 16.590 599 H MET 113 HN MET 113 23.096 15.000 19.749 600 HA MET 113 HA MET 113 22.579 15.147 22.461 601 HB2 MET 113 2HB MET 113 24.017 17.363 22.310 602 HB3 MET 113 1HB MET 113 24.745 15.802 21.928 603 HG2 MET 113 2HG MET 113 25.060 16.382 19.768 604 HG3 MET 113 1HG MET 113 23.405 16.970 19.616 605 HE1 MET 113 3HE MET 113 23.239 20.280 19.548 606 HE2 MET 113 1HE MET 113 22.973 18.671 18.862 607 HE3 MET 113 2HE MET 113 24.231 19.716 18.206 608 H LEU 114 HN LEU 114 21.394 17.331 19.958 609 HA LEU 114 HA LEU 114 19.443 18.395 21.902 610 HG LEU 114 HG LEU 114 20.425 21.773 22.318 611 HB2 LEU 114 2HB LEU 114 21.698 19.853 21.541 612 HB3 LEU 114 1HB LEU 114 20.729 20.464 20.201 613 HD11 LEU 114 1HD1 LEU 114 17.906 20.278 21.560 614 HD12 LEU 114 2HD1 LEU 114 18.642 21.495 20.516 615 HD13 LEU 114 3HD1 LEU 114 18.045 21.946 22.113 616 HD21 LEU 114 3HD2 LEU 114 20.293 19.195 23.448 617 HD22 LEU 114 1HD2 LEU 114 18.666 19.861 23.598 618 HD23 LEU 114 2HD2 LEU 114 20.041 20.731 24.278 619 H ASP 115 HN ASP 115 19.726 16.806 19.271 620 HA ASP 115 HA ASP 115 18.664 16.726 17.153 621 HB2 ASP 115 2HB ASP 115 16.471 17.813 18.947 622 HB3 ASP 115 1HB ASP 115 16.212 17.071 17.369 623 H ALA 116 HN ALA 116 20.216 19.040 17.298 624 HA ALA 116 HA ALA 116 20.438 21.008 15.998 625 HB1 ALA 116 1HB ALA 116 17.648 21.388 15.284 626 HB2 ALA 116 2HB ALA 116 18.201 19.763 14.874 627 HB3 ALA 116 3HB ALA 116 19.046 21.172 14.231 628 H ALA 117 HN ALA 117 17.106 21.101 17.285 629 HA ALA 117 HA ALA 117 17.852 22.939 19.393 630 HB1 ALA 117 1HB ALA 117 15.999 24.260 17.491 631 HB2 ALA 117 2HB ALA 117 17.689 24.164 16.989 632 HB3 ALA 117 3HB ALA 117 17.262 24.962 18.504 633 H THR 118 HN THR 118 15.975 23.515 20.722 634 HA THR 118 HA THR 118 13.574 21.836 20.119 635 HB THR 118 HB THR 118 13.412 21.199 22.407 636 HG1 THR 118 1HG THR 118 14.496 22.227 24.001 637 HG21 THR 118 3HG2 THR 118 15.046 19.707 21.991 638 HG22 THR 118 1HG2 THR 118 16.172 20.836 22.743 639 HG23 THR 118 2HG2 THR 118 15.926 20.868 20.997 640 H GLY 119 HN GLY 119 11.612 22.647 21.403 641 HA2 GLY 119 2HA GLY 119 10.328 24.447 22.322 642 HA3 GLY 119 1HA GLY 119 11.707 25.521 22.080 643 H LYS 120 HN LYS 120 11.142 23.626 19.337 644 HA LYS 120 HA LYS 120 10.209 25.963 17.842 645 HB2 LYS 120 2HB LYS 120 10.495 24.592 15.883 646 HB3 LYS 120 1HB LYS 120 11.852 24.244 16.955 647 HG2 LYS 120 2HG LYS 120 10.609 22.265 17.827 648 HG3 LYS 120 1HG LYS 120 9.324 22.592 16.664 649 HD2 LYS 120 2HD LYS 120 11.125 22.472 14.853 650 HD3 LYS 120 1HD LYS 120 12.190 21.811 16.093 651 HE2 LYS 120 2HE LYS 120 9.505 20.650 15.285 652 HE3 LYS 120 1HE LYS 120 11.078 20.009 14.811 653 HZ1 LYS 120 3HZ LYS 120 9.726 19.901 17.388 654 HZ2 LYS 120 1HZ LYS 120 11.407 20.121 17.426 655 HZ3 LYS 120 2HZ LYS 120 10.747 18.762 16.646 656 H SER 121 HN SER 121 8.157 26.214 16.909 657 HA SER 121 HA SER 121 5.968 24.856 18.245 658 HG SER 121 HG SER 121 3.848 27.156 17.202 659 HB2 SER 121 2HB SER 121 5.991 27.258 17.317 660 HB3 SER 121 1HB SER 121 5.733 26.523 15.735 Start of MODEL 5 1 H ALA 35 HN ALA 35 29.881 26.095 26.862 2 HA ALA 35 HA ALA 35 28.663 24.083 26.883 3 HB1 ALA 35 1HB ALA 35 26.184 24.311 27.596 4 HB2 ALA 35 2HB ALA 35 26.580 25.997 27.936 5 HB3 ALA 35 3HB ALA 35 27.416 24.703 28.795 6 HA PRO 36 HA PRO 36 27.228 24.476 22.650 7 HB2 PRO 36 2HB PRO 36 26.911 21.831 22.193 8 HB3 PRO 36 1HB PRO 36 28.489 22.623 22.197 9 HG2 PRO 36 2HG PRO 36 27.162 21.026 24.354 10 HG3 PRO 36 1HG PRO 36 28.844 20.984 23.815 11 HD2 PRO 36 2HD PRO 36 28.078 22.315 26.043 12 HD3 PRO 36 1HD PRO 36 29.414 22.865 25.031 13 H ARG 37 HN ARG 37 25.197 24.580 21.730 14 HA ARG 37 HA ARG 37 22.979 23.039 22.951 15 HE ARG 37 HE ARG 37 20.556 26.954 23.115 16 HB2 ARG 37 2HB ARG 37 21.582 25.022 23.218 17 HB3 ARG 37 1HB ARG 37 23.072 25.239 24.137 18 HG2 ARG 37 2HG ARG 37 24.012 26.448 22.108 19 HG3 ARG 37 1HG ARG 37 22.383 26.420 21.434 20 HD2 ARG 37 2HD ARG 37 23.214 27.682 24.065 21 HD3 ARG 37 1HD ARG 37 22.753 28.542 22.596 22 HH11 ARG 37 1HH1 ARG 37 21.976 29.820 24.189 23 HH12 ARG 37 2HH1 ARG 37 20.889 30.059 25.517 24 HH21 ARG 37 1HH2 ARG 37 19.344 26.976 25.151 25 HH22 ARG 37 2HH2 ARG 37 19.400 28.449 26.061 26 H LYS 38 HN LYS 38 21.059 23.021 21.533 27 HA LYS 38 HA LYS 38 20.216 22.597 19.368 28 HB2 LYS 38 2HB LYS 38 21.423 25.326 18.837 29 HB3 LYS 38 1HB LYS 38 20.046 24.594 18.014 30 HG2 LYS 38 2HG LYS 38 18.850 24.537 20.232 31 HG3 LYS 38 1HG LYS 38 20.188 25.460 20.916 32 HD2 LYS 38 2HD LYS 38 19.774 27.293 19.364 33 HD3 LYS 38 1HD LYS 38 18.527 26.357 18.541 34 HE2 LYS 38 2HE LYS 38 17.954 26.407 21.359 35 HE3 LYS 38 1HE LYS 38 18.212 28.057 20.793 36 HZ1 LYS 38 3HZ LYS 38 16.041 26.281 20.268 37 HZ2 LYS 38 1HZ LYS 38 16.716 26.882 18.832 38 HZ3 LYS 38 2HZ LYS 38 16.150 27.958 20.019 39 H GLY 39 HN GLY 39 21.170 23.445 16.846 40 HA2 GLY 39 2HA GLY 39 23.515 23.404 15.782 41 HA3 GLY 39 1HA GLY 39 23.746 21.934 16.726 42 H ASN 40 HN ASN 40 21.521 23.334 14.298 43 HA ASN 40 HA ASN 40 20.450 20.768 13.515 44 HB2 ASN 40 2HB ASN 40 19.362 23.029 13.119 45 HB3 ASN 40 1HB ASN 40 20.542 23.285 11.834 46 HD21 ASN 40 1HD2 ASN 40 18.261 23.306 10.626 47 HD22 ASN 40 2HD2 ASN 40 17.759 21.808 10.004 48 H THR 41 HN THR 41 21.511 19.237 12.362 49 HA THR 41 HA THR 41 24.041 19.907 11.025 50 HB THR 41 HB THR 41 22.559 17.264 11.165 51 HG1 THR 41 1HG THR 41 24.149 16.874 12.818 52 HG21 THR 41 3HG2 THR 41 24.685 18.025 9.552 53 HG22 THR 41 1HG2 THR 41 24.270 16.369 9.994 54 HG23 THR 41 2HG2 THR 41 25.474 17.255 10.929 55 H LEU 42 HN LEU 42 24.357 19.960 8.802 56 HA LEU 42 HA LEU 42 21.893 19.657 7.132 57 HG LEU 42 HG LEU 42 21.549 21.817 7.836 58 HB2 LEU 42 2HB LEU 42 24.291 21.468 6.714 59 HB3 LEU 42 1HB LEU 42 22.935 21.311 5.598 60 HD11 LEU 42 1HD1 LEU 42 23.062 22.217 9.504 61 HD12 LEU 42 2HD1 LEU 42 23.108 23.826 8.782 62 HD13 LEU 42 3HD1 LEU 42 24.347 22.640 8.373 63 HD21 LEU 42 3HD2 LEU 42 22.632 24.332 6.847 64 HD22 LEU 42 1HD2 LEU 42 21.008 23.668 6.663 65 HD23 LEU 42 2HD2 LEU 42 22.280 23.219 5.526 66 H TYR 43 HN TYR 43 22.075 18.453 5.229 67 HA TYR 43 HA TYR 43 24.543 16.812 5.017 68 HD1 TYR 43 HD1 TYR 43 24.281 13.939 4.764 69 HD2 TYR 43 HD2 TYR 43 22.488 16.074 1.496 70 HE1 TYR 43 HE1 TYR 43 25.304 12.346 3.163 71 HE2 TYR 43 HE2 TYR 43 23.513 14.482 -0.106 72 HH TYR 43 HH TYR 43 24.807 12.703 -0.354 73 HB2 TYR 43 2HB TYR 43 22.452 15.562 5.125 74 HB3 TYR 43 1HB TYR 43 21.792 16.490 3.780 75 H VAL 44 HN VAL 44 26.035 17.777 3.708 76 HA VAL 44 HA VAL 44 25.063 19.141 1.238 77 HB VAL 44 HB VAL 44 27.728 19.297 2.679 78 HG11 VAL 44 1HG1 VAL 44 28.555 20.576 0.960 79 HG12 VAL 44 2HG1 VAL 44 26.966 21.206 0.526 80 HG13 VAL 44 3HG1 VAL 44 27.441 19.586 0.016 81 HG21 VAL 44 3HG2 VAL 44 25.392 20.486 3.389 82 HG22 VAL 44 1HG2 VAL 44 26.010 21.674 2.243 83 HG23 VAL 44 2HG2 VAL 44 26.972 21.224 3.650 84 H TYR 45 HN TYR 45 25.634 18.326 -0.759 85 HA TYR 45 HA TYR 45 27.493 15.980 -0.770 86 HD1 TYR 45 HD1 TYR 45 26.597 13.266 -1.347 87 HD2 TYR 45 HD2 TYR 45 26.091 16.023 -4.601 88 HE1 TYR 45 HE1 TYR 45 27.559 11.598 -2.908 89 HE2 TYR 45 HE2 TYR 45 27.054 14.355 -6.164 90 HH TYR 45 HH TYR 45 27.762 12.256 -6.402 91 HB2 TYR 45 2HB TYR 45 25.168 15.256 -1.129 92 HB3 TYR 45 1HB TYR 45 25.006 16.405 -2.457 93 H GLY 46 HN GLY 46 29.171 16.154 -2.191 94 HA2 GLY 46 1HA GLY 46 29.065 17.436 -4.731 95 HA3 GLY 46 2HA GLY 46 29.727 18.582 -3.565 96 H GLU 47 HN GLU 47 31.592 18.147 -5.249 97 HA GLU 47 HA GLU 47 33.246 15.888 -4.190 98 HB2 GLU 47 2HB GLU 47 33.288 17.099 -6.972 99 HB3 GLU 47 1HB GLU 47 34.336 15.801 -6.403 100 HG2 GLU 47 2HG GLU 47 32.330 14.406 -5.954 101 HG3 GLU 47 1HG GLU 47 31.310 15.696 -6.592 102 H ASP 48 HN ASP 48 35.563 16.342 -4.068 103 HA ASP 48 HA ASP 48 37.287 17.731 -3.257 104 HB2 ASP 48 2HB ASP 48 37.346 18.101 -5.742 105 HB3 ASP 48 1HB ASP 48 36.310 19.510 -5.510 106 H MET 49 HN MET 49 35.169 18.041 -1.609 107 HA MET 49 HA MET 49 34.701 20.977 -1.385 108 HB2 MET 49 2HB MET 49 33.309 18.621 -0.086 109 HB3 MET 49 1HB MET 49 32.928 20.307 0.255 110 HG2 MET 49 2HG MET 49 32.463 20.639 -2.184 111 HG3 MET 49 1HG MET 49 32.714 18.910 -2.429 112 HE1 MET 49 3HE MET 49 30.028 17.327 -0.115 113 HE2 MET 49 1HE MET 49 31.611 17.893 0.439 114 HE3 MET 49 2HE MET 49 31.456 17.079 -1.117 115 H THR 50 HN THR 50 35.433 22.097 0.418 116 HA THR 50 HA THR 50 36.967 20.497 2.431 117 HB THR 50 HB THR 50 38.079 23.012 2.536 118 HG1 THR 50 1HG THR 50 38.009 22.477 -0.195 119 HG21 THR 50 3HG2 THR 50 39.049 20.591 2.306 120 HG22 THR 50 1HG2 THR 50 40.010 21.960 1.746 121 HG23 THR 50 2HG2 THR 50 39.117 20.975 0.586 122 HA PRO 51 HA PRO 51 34.651 22.453 5.653 123 HB2 PRO 51 2HB PRO 51 36.525 23.100 7.491 124 HB3 PRO 51 1HB PRO 51 36.010 21.440 7.183 125 HG2 PRO 51 2HG PRO 51 38.443 22.884 6.207 126 HG3 PRO 51 1HG PRO 51 38.296 21.230 6.806 127 HD2 PRO 51 1HD PRO 51 38.426 21.813 4.161 128 HD3 PRO 51 2HD PRO 51 37.527 20.428 4.783 129 H THR 52 HN THR 52 37.691 24.338 5.316 130 HA THR 52 HA THR 52 36.729 26.807 6.200 131 HB THR 52 HB THR 52 38.587 26.453 3.830 132 HG1 THR 52 1HG THR 52 39.733 25.408 5.241 133 HG21 THR 52 3HG2 THR 52 37.611 28.757 4.704 134 HG22 THR 52 1HG2 THR 52 39.309 28.614 4.252 135 HG23 THR 52 2HG2 THR 52 38.841 28.550 5.951 136 H LEU 53 HN LEU 53 36.635 25.554 2.848 137 HA LEU 53 HA LEU 53 35.262 27.759 1.704 138 HG LEU 53 HG LEU 53 33.405 26.614 -0.075 139 HB2 LEU 53 2HB LEU 53 36.295 25.864 0.419 140 HB3 LEU 53 1HB LEU 53 34.950 24.844 0.928 141 HD11 LEU 53 1HD1 LEU 53 35.718 27.474 -1.757 142 HD12 LEU 53 2HD1 LEU 53 35.560 28.197 -0.157 143 HD13 LEU 53 3HD1 LEU 53 34.253 28.356 -1.330 144 HD21 LEU 53 3HD2 LEU 53 33.418 24.819 -1.488 145 HD22 LEU 53 1HD2 LEU 53 35.178 24.710 -1.492 146 HD23 LEU 53 2HD2 LEU 53 34.365 25.892 -2.519 147 H LEU 54 HN LEU 54 33.938 24.715 3.042 148 HA LEU 54 HA LEU 54 31.198 25.326 2.686 149 HG LEU 54 HG LEU 54 32.716 23.152 2.344 150 HB2 LEU 54 2HB LEU 54 32.532 23.766 4.922 151 HB3 LEU 54 1HB LEU 54 30.804 23.745 4.571 152 HD11 LEU 54 1HD1 LEU 54 31.862 21.132 4.440 153 HD12 LEU 54 2HD1 LEU 54 33.494 21.780 4.272 154 HD13 LEU 54 3HD1 LEU 54 32.800 20.790 2.987 155 HD21 LEU 54 3HD2 LEU 54 30.834 21.630 1.714 156 HD22 LEU 54 1HD2 LEU 54 30.330 23.313 1.864 157 HD23 LEU 54 2HD2 LEU 54 29.964 22.166 3.152 158 H ARG 55 HN ARG 55 33.370 26.091 5.412 159 HA ARG 55 HA ARG 55 31.522 27.279 7.156 160 HE ARG 55 HE ARG 55 35.143 24.898 9.469 161 HB2 ARG 55 2HB ARG 55 34.397 27.995 6.541 162 HB3 ARG 55 1HB ARG 55 33.480 28.780 7.826 163 HG2 ARG 55 2HG ARG 55 33.022 26.531 8.813 164 HG3 ARG 55 1HG ARG 55 34.051 25.812 7.575 165 HD2 ARG 55 2HD ARG 55 35.877 27.427 8.389 166 HD3 ARG 55 1HD ARG 55 34.843 27.709 9.791 167 HH11 ARG 55 1HH1 ARG 55 37.950 25.987 8.892 168 HH12 ARG 55 2HH1 ARG 55 38.654 25.925 10.474 169 HH21 ARG 55 1HH2 ARG 55 35.614 25.564 12.103 170 HH22 ARG 55 2HH2 ARG 55 37.332 25.685 12.292 171 H GLY 56 HN GLY 56 33.079 28.654 4.281 172 HA2 GLY 56 2HA GLY 56 32.015 31.313 4.649 173 HA3 GLY 56 1HA GLY 56 32.666 30.670 3.142 174 H ALA 57 HN ALA 57 30.826 28.382 3.079 175 HA ALA 57 HA ALA 57 28.578 29.717 1.798 176 HB1 ALA 57 1HB ALA 57 29.605 27.518 1.048 177 HB2 ALA 57 2HB ALA 57 27.847 27.507 1.189 178 HB3 ALA 57 3HB ALA 57 28.837 26.770 2.449 179 H PHE 58 HN PHE 58 29.223 28.390 4.943 180 HA PHE 58 HA PHE 58 26.339 28.766 5.653 181 HD1 PHE 58 HD1 PHE 58 28.804 25.760 4.779 182 HD2 PHE 58 HD2 PHE 58 24.836 26.305 6.329 183 HE1 PHE 58 HE1 PHE 58 27.948 24.065 3.184 184 HE2 PHE 58 HE2 PHE 58 23.980 24.610 4.734 185 HZ PHE 58 HZ PHE 58 25.536 23.490 3.161 186 HB2 PHE 58 2HB PHE 58 28.418 26.935 6.892 187 HB3 PHE 58 1HB PHE 58 26.787 27.168 7.522 188 H SER 59 HN SER 59 29.115 30.385 5.763 189 HA SER 59 HA SER 59 29.329 31.055 8.581 190 HG SER 59 HG SER 59 31.798 32.286 8.550 191 HB2 SER 59 2HB SER 59 30.673 31.772 6.086 192 HB3 SER 59 1HB SER 59 30.474 33.155 7.163 193 HA PRO 60 HA PRO 60 27.086 35.141 7.202 194 HB2 PRO 60 2HB PRO 60 25.945 35.166 4.752 195 HB3 PRO 60 1HB PRO 60 27.609 35.682 5.045 196 HG2 PRO 60 2HG PRO 60 26.589 33.067 4.002 197 HG3 PRO 60 1HG PRO 60 27.961 34.029 3.440 198 HD2 PRO 60 2HD PRO 60 28.278 31.864 5.026 199 HD3 PRO 60 1HD PRO 60 29.353 33.259 5.119 200 H PHE 61 HN PHE 61 25.809 32.015 6.206 201 HA PHE 61 HA PHE 61 23.020 32.774 6.427 202 HD1 PHE 61 HD1 PHE 61 21.272 31.091 4.795 203 HD2 PHE 61 HD2 PHE 61 25.519 30.734 4.261 204 HE1 PHE 61 HE1 PHE 61 20.988 31.373 2.346 205 HE2 PHE 61 HE2 PHE 61 25.235 31.016 1.814 206 HZ PHE 61 HZ PHE 61 22.970 31.336 0.856 207 HB2 PHE 61 2HB PHE 61 24.466 30.123 6.368 208 HB3 PHE 61 1HB PHE 61 22.719 30.225 6.584 209 H GLY 62 HN GLY 62 25.479 31.702 8.673 210 HA2 GLY 62 1HA GLY 62 24.191 32.585 10.989 211 HA3 GLY 62 2HA GLY 62 23.669 30.913 10.786 212 H ASN 63 HN ASN 63 24.987 31.020 12.983 213 HA ASN 63 HA ASN 63 27.902 30.760 12.510 214 HB2 ASN 63 2HB ASN 63 26.260 30.690 15.061 215 HB3 ASN 63 1HB ASN 63 28.019 30.575 14.995 216 HD21 ASN 63 1HD2 ASN 63 26.775 32.741 16.366 217 HD22 ASN 63 2HD2 ASN 63 27.070 34.175 15.506 218 H ILE 64 HN ILE 64 28.980 28.800 12.667 219 HA ILE 64 HA ILE 64 27.246 26.387 12.820 220 HB ILE 64 HB ILE 64 30.121 26.630 11.886 221 HG12 ILE 64 2HG1 ILE 64 27.631 26.349 10.187 222 HG13 ILE 64 1HG1 ILE 64 28.373 27.910 10.539 223 HG21 ILE 64 1HG2 ILE 64 30.040 24.392 11.411 224 HG22 ILE 64 2HG2 ILE 64 28.326 24.440 10.997 225 HG23 ILE 64 3HG2 ILE 64 28.823 24.385 12.689 226 HD11 ILE 64 3HD1 ILE 64 29.270 25.772 8.721 227 HD12 ILE 64 1HD1 ILE 64 30.546 26.424 9.750 228 HD13 ILE 64 2HD1 ILE 64 29.630 27.497 8.691 229 H ILE 65 HN ILE 65 27.434 24.980 14.518 230 HA ILE 65 HA ILE 65 29.383 25.670 16.643 231 HB ILE 65 HB ILE 65 28.044 24.249 18.082 232 HG12 ILE 65 2HG1 ILE 65 26.527 23.506 15.561 233 HG13 ILE 65 1HG1 ILE 65 27.639 22.448 16.430 234 HG21 ILE 65 1HG2 ILE 65 25.748 25.297 17.672 235 HG22 ILE 65 2HG2 ILE 65 26.452 26.040 16.235 236 HG23 ILE 65 3HG2 ILE 65 27.093 26.427 17.832 237 HD11 ILE 65 3HD1 ILE 65 26.136 22.942 18.496 238 HD12 ILE 65 1HD1 ILE 65 25.532 21.820 17.276 239 HD13 ILE 65 2HD1 ILE 65 24.949 23.485 17.310 240 H ASP 66 HN ASP 66 28.771 23.247 14.222 241 HA ASP 66 HA ASP 66 31.297 21.911 14.989 242 HB2 ASP 66 2HB ASP 66 29.398 20.701 16.141 243 HB3 ASP 66 1HB ASP 66 28.757 20.321 14.543 244 H LEU 67 HN LEU 67 32.416 21.238 13.190 245 HA LEU 67 HA LEU 67 30.958 21.357 10.579 246 HG LEU 67 HG LEU 67 33.562 23.059 8.761 247 HB2 LEU 67 2HB LEU 67 32.626 23.206 10.946 248 HB3 LEU 67 1HB LEU 67 33.886 21.979 11.066 249 HD11 LEU 67 1HD1 LEU 67 34.577 20.715 9.397 250 HD12 LEU 67 2HD1 LEU 67 34.251 21.096 7.706 251 HD13 LEU 67 3HD1 LEU 67 33.124 20.092 8.616 252 HD21 LEU 67 3HD2 LEU 67 31.158 21.214 8.719 253 HD22 LEU 67 1HD2 LEU 67 31.714 22.263 7.415 254 HD23 LEU 67 2HD2 LEU 67 31.049 22.967 8.888 255 H SER 68 HN SER 68 30.747 19.304 9.813 256 HA SER 68 HA SER 68 33.070 17.452 10.186 257 HG SER 68 HG SER 68 30.865 17.722 12.069 258 HB2 SER 68 2HB SER 68 30.121 16.740 10.130 259 HB3 SER 68 1HB SER 68 31.452 15.594 10.289 260 H MET 69 HN MET 69 33.702 16.297 8.358 261 HA MET 69 HA MET 69 32.093 16.731 5.878 262 HB2 MET 69 2HB MET 69 35.104 16.924 6.190 263 HB3 MET 69 1HB MET 69 34.263 16.918 4.640 264 HG2 MET 69 2HG MET 69 32.936 18.910 5.457 265 HG3 MET 69 1HG MET 69 34.008 18.969 6.855 266 HE1 MET 69 3HE MET 69 35.083 18.262 2.848 267 HE2 MET 69 1HE MET 69 34.652 19.947 2.525 268 HE3 MET 69 2HE MET 69 33.483 18.864 3.279 269 H ASP 70 HN ASP 70 32.143 14.976 4.394 270 HA ASP 70 HA ASP 70 33.457 12.497 5.435 271 HB2 ASP 70 2HB ASP 70 30.693 12.993 5.091 272 HB3 ASP 70 1HB ASP 70 31.166 11.913 3.780 273 HA PRO 71 HA PRO 71 35.204 13.067 1.275 274 HB2 PRO 71 2HB PRO 71 37.440 11.629 1.739 275 HB3 PRO 71 1HB PRO 71 37.258 13.322 2.197 276 HG2 PRO 71 2HG PRO 71 37.110 10.876 3.879 277 HG3 PRO 71 1HG PRO 71 37.730 12.474 4.281 278 HD2 PRO 71 2HD PRO 71 35.255 11.521 5.056 279 HD3 PRO 71 1HD PRO 71 35.688 13.226 4.959 280 HA PRO 72 HA PRO 72 35.134 8.243 0.748 281 HB2 PRO 72 2HB PRO 72 33.635 6.847 2.496 282 HB3 PRO 72 1HB PRO 72 35.357 7.144 2.739 283 HG2 PRO 72 2HG PRO 72 33.004 8.479 3.988 284 HG3 PRO 72 1HG PRO 72 34.562 8.060 4.703 285 HD2 PRO 72 1HD PRO 72 33.878 10.580 3.873 286 HD3 PRO 72 2HD PRO 72 35.533 10.003 4.006 287 H ARG 73 HN ARG 73 32.300 9.884 2.103 288 HA ARG 73 HA ARG 73 30.596 8.544 0.056 289 HE ARG 73 HE ARG 73 25.575 9.263 0.936 290 HB2 ARG 73 2HB ARG 73 29.882 8.507 2.476 291 HB3 ARG 73 1HB ARG 73 29.717 10.262 2.393 292 HG2 ARG 73 2HG ARG 73 28.105 10.000 0.520 293 HG3 ARG 73 1HG ARG 73 28.239 8.248 0.670 294 HD2 ARG 73 2HD ARG 73 27.510 8.495 3.082 295 HD3 ARG 73 1HD ARG 73 27.166 10.189 2.733 296 HH11 ARG 73 1HH1 ARG 73 26.789 6.731 2.745 297 HH12 ARG 73 2HH1 ARG 73 25.252 6.099 3.233 298 HH21 ARG 73 1HH2 ARG 73 23.454 8.795 1.995 299 HH22 ARG 73 2HH2 ARG 73 23.364 7.267 2.809 300 H ASN 74 HN ASN 74 32.380 11.323 0.426 301 HA ASN 74 HA ASN 74 32.388 13.356 -0.745 302 HB2 ASN 74 2HB ASN 74 30.268 11.956 -2.404 303 HB3 ASN 74 1HB ASN 74 31.117 13.433 -2.862 304 HD21 ASN 74 1HD2 ASN 74 31.146 10.497 -3.949 305 HD22 ASN 74 2HD2 ASN 74 32.803 10.148 -4.071 306 H CYS 75 HN CYS 75 30.866 13.271 1.600 307 HA CYS 75 HA CYS 75 28.771 15.269 0.931 308 HG CYS 75 HG CYS 75 27.915 12.697 4.132 309 HB2 CYS 75 2HB CYS 75 27.118 14.195 2.338 310 HB3 CYS 75 1HB CYS 75 27.688 13.004 1.169 311 H ALA 76 HN ALA 76 28.784 16.952 2.378 312 HA ALA 76 HA ALA 76 30.565 16.656 4.757 313 HB1 ALA 76 1HB ALA 76 30.130 18.783 2.792 314 HB2 ALA 76 2HB ALA 76 31.485 18.535 3.892 315 HB3 ALA 76 3HB ALA 76 30.034 19.364 4.455 316 H PHE 77 HN PHE 77 29.846 17.806 6.736 317 HA PHE 77 HA PHE 77 26.872 18.065 6.882 318 HD1 PHE 77 HD1 PHE 77 25.232 16.020 7.920 319 HD2 PHE 77 HD2 PHE 77 29.352 14.915 7.416 320 HE1 PHE 77 HE1 PHE 77 24.531 13.929 6.785 321 HE2 PHE 77 HE2 PHE 77 28.652 12.823 6.282 322 HZ PHE 77 HZ PHE 77 26.242 12.330 5.968 323 HB2 PHE 77 2HB PHE 77 28.741 16.740 8.866 324 HB3 PHE 77 1HB PHE 77 27.052 17.118 9.208 325 H VAL 78 HN VAL 78 26.207 19.970 7.783 326 HA VAL 78 HA VAL 78 28.254 21.547 9.295 327 HB VAL 78 HB VAL 78 26.030 22.650 7.560 328 HG11 VAL 78 1HG1 VAL 78 27.285 24.772 7.853 329 HG12 VAL 78 2HG1 VAL 78 28.407 23.943 8.931 330 HG13 VAL 78 3HG1 VAL 78 26.717 24.132 9.395 331 HG21 VAL 78 3HG2 VAL 78 28.855 21.883 6.994 332 HG22 VAL 78 1HG2 VAL 78 28.277 23.395 6.295 333 HG23 VAL 78 2HG2 VAL 78 27.455 21.879 5.922 334 H THR 79 HN THR 79 27.618 22.268 11.293 335 HA THR 79 HA THR 79 24.828 21.628 12.122 336 HB THR 79 HB THR 79 27.103 22.374 13.962 337 HG1 THR 79 1HG THR 79 26.385 19.780 13.073 338 HG21 THR 79 3HG2 THR 79 24.420 21.044 14.199 339 HG22 THR 79 1HG2 THR 79 25.108 22.343 15.175 340 HG23 THR 79 2HG2 THR 79 25.680 20.688 15.379 341 H TYR 80 HN TYR 80 23.430 23.281 12.563 342 HA TYR 80 HA TYR 80 24.575 26.039 12.661 343 HD1 TYR 80 HD1 TYR 80 24.587 27.680 11.791 344 HD2 TYR 80 HD2 TYR 80 22.127 25.382 9.124 345 HE1 TYR 80 HE1 TYR 80 25.644 28.802 9.850 346 HE2 TYR 80 HE2 TYR 80 23.183 26.505 7.183 347 HH TYR 80 HH TYR 80 24.487 28.249 6.555 348 HB2 TYR 80 2HB TYR 80 22.143 24.875 11.429 349 HB3 TYR 80 1HB TYR 80 21.922 26.438 12.215 350 H GLU 81 HN GLU 81 24.148 27.297 14.448 351 HA GLU 81 HA GLU 81 23.376 26.140 16.900 352 HB2 GLU 81 2HB GLU 81 24.561 28.353 16.579 353 HB3 GLU 81 1HB GLU 81 22.998 29.053 16.160 354 HG2 GLU 81 2HG GLU 81 22.105 28.291 18.360 355 HG3 GLU 81 1HG GLU 81 23.713 27.700 18.778 356 H LYS 82 HN LYS 82 21.415 27.500 14.332 357 HA LYS 82 HA LYS 82 18.993 26.661 15.859 358 HB2 LYS 82 2HB LYS 82 19.337 29.258 14.330 359 HB3 LYS 82 1HB LYS 82 17.807 28.674 14.984 360 HG2 LYS 82 2HG LYS 82 18.846 28.633 17.257 361 HG3 LYS 82 1HG LYS 82 20.307 29.341 16.566 362 HD2 LYS 82 2HD LYS 82 18.899 31.257 15.739 363 HD3 LYS 82 1HD LYS 82 17.539 30.576 16.631 364 HE2 LYS 82 2HE LYS 82 20.135 31.666 17.730 365 HE3 LYS 82 1HE LYS 82 18.490 32.183 18.103 366 HZ1 LYS 82 3HZ LYS 82 19.120 30.869 19.903 367 HZ2 LYS 82 1HZ LYS 82 19.869 29.702 18.926 368 HZ3 LYS 82 2HZ LYS 82 18.175 29.824 18.954 369 H MET 83 HN MET 83 17.285 25.889 14.524 370 HA MET 83 HA MET 83 18.110 24.687 12.040 371 HB2 MET 83 2HB MET 83 15.323 25.099 13.168 372 HB3 MET 83 1HB MET 83 15.735 24.022 11.835 373 HG2 MET 83 2HG MET 83 17.163 22.691 13.295 374 HG3 MET 83 1HG MET 83 16.904 23.817 14.627 375 HE1 MET 83 3HE MET 83 16.331 21.752 16.058 376 HE2 MET 83 1HE MET 83 16.433 20.633 14.692 377 HE3 MET 83 2HE MET 83 15.021 20.616 15.744 378 H GLU 84 HN GLU 84 16.771 27.776 12.851 379 HA GLU 84 HA GLU 84 15.542 28.383 10.323 380 HB2 GLU 84 2HB GLU 84 16.744 30.196 12.437 381 HB3 GLU 84 1HB GLU 84 15.796 30.765 11.064 382 HG2 GLU 84 2HG GLU 84 13.897 29.346 11.822 383 HG3 GLU 84 1HG GLU 84 14.846 28.860 13.227 384 H SER 85 HN SER 85 18.828 28.887 11.599 385 HA SER 85 HA SER 85 19.823 30.330 9.335 386 HG SER 85 HG SER 85 20.004 30.269 12.077 387 HB2 SER 85 2HB SER 85 21.376 28.483 11.171 388 HB3 SER 85 1HB SER 85 22.036 29.791 10.189 389 H ALA 86 HN ALA 86 19.381 26.901 9.970 390 HA ALA 86 HA ALA 86 20.975 26.004 7.716 391 HB1 ALA 86 1HB ALA 86 20.541 24.490 9.579 392 HB2 ALA 86 2HB ALA 86 19.821 23.823 8.115 393 HB3 ALA 86 3HB ALA 86 18.802 24.617 9.315 394 H ASP 87 HN ASP 87 17.619 26.938 8.199 395 HA ASP 87 HA ASP 87 16.611 25.861 5.726 396 HB2 ASP 87 2HB ASP 87 15.190 26.602 7.665 397 HB3 ASP 87 1HB ASP 87 15.581 28.271 7.251 398 H GLN 88 HN GLN 88 17.847 29.082 6.640 399 HA GLN 88 HA GLN 88 17.435 30.287 4.073 400 HB2 GLN 88 2HB GLN 88 17.933 31.525 6.211 401 HB3 GLN 88 1HB GLN 88 19.601 30.967 6.083 402 HG2 GLN 88 2HG GLN 88 19.844 32.088 3.922 403 HG3 GLN 88 1HG GLN 88 18.149 32.576 3.959 404 HE21 GLN 88 1HE2 GLN 88 19.980 34.636 3.760 405 HE22 GLN 88 2HE2 GLN 88 20.114 35.465 5.235 406 H ALA 89 HN ALA 89 20.175 28.509 5.474 407 HA ALA 89 HA ALA 89 21.879 28.912 3.156 408 HB1 ALA 89 1HB ALA 89 22.193 27.897 5.765 409 HB2 ALA 89 2HB ALA 89 23.443 28.050 4.531 410 HB3 ALA 89 3HB ALA 89 22.541 26.543 4.689 411 H VAL 90 HN VAL 90 19.811 26.253 4.320 412 HA VAL 90 HA VAL 90 20.449 24.393 2.255 413 HB VAL 90 HB VAL 90 17.884 24.764 3.831 414 HG11 VAL 90 1HG1 VAL 90 17.606 22.293 3.208 415 HG12 VAL 90 2HG1 VAL 90 18.839 22.572 1.978 416 HG13 VAL 90 3HG1 VAL 90 17.316 23.459 1.917 417 HG21 VAL 90 3HG2 VAL 90 18.904 23.638 5.508 418 HG22 VAL 90 1HG2 VAL 90 20.417 24.002 4.678 419 HG23 VAL 90 2HG2 VAL 90 19.604 22.462 4.395 420 H ALA 91 HN ALA 91 18.228 27.127 2.347 421 HA ALA 91 HA ALA 91 16.956 26.414 -0.188 422 HB1 ALA 91 1HB ALA 91 15.514 28.124 0.269 423 HB2 ALA 91 2HB ALA 91 16.810 29.217 0.752 424 HB3 ALA 91 3HB ALA 91 16.204 28.012 1.887 425 H GLU 92 HN GLU 92 19.200 29.005 0.854 426 HA GLU 92 HA GLU 92 19.659 29.924 -1.851 427 HB2 GLU 92 2HB GLU 92 21.336 30.337 0.642 428 HB3 GLU 92 1HB GLU 92 21.465 31.263 -0.852 429 HG2 GLU 92 2HG GLU 92 18.989 31.829 -0.537 430 HG3 GLU 92 1HG GLU 92 19.150 31.180 1.093 431 H LEU 93 HN LEU 93 21.581 27.922 0.405 432 HA LEU 93 HA LEU 93 23.756 27.488 -1.401 433 HG LEU 93 HG LEU 93 23.121 28.002 1.540 434 HB2 LEU 93 2HB LEU 93 22.774 25.638 0.791 435 HB3 LEU 93 1HB LEU 93 24.389 25.663 0.083 436 HD11 LEU 93 1HD1 LEU 93 25.178 25.966 2.448 437 HD12 LEU 93 2HD1 LEU 93 23.556 26.180 3.105 438 HD13 LEU 93 3HD1 LEU 93 24.771 27.438 3.330 439 HD21 LEU 93 3HD2 LEU 93 25.960 28.106 1.437 440 HD22 LEU 93 1HD2 LEU 93 24.812 29.180 0.639 441 HD23 LEU 93 2HD2 LEU 93 25.397 27.740 -0.193 442 H ASN 94 HN ASN 94 20.696 25.762 -0.916 443 HA ASN 94 HA ASN 94 21.397 23.592 -2.715 444 HB2 ASN 94 2HB ASN 94 19.662 23.371 -0.944 445 HB3 ASN 94 1HB ASN 94 18.657 24.525 -1.819 446 HD21 ASN 94 1HD2 ASN 94 17.387 22.183 -1.579 447 HD22 ASN 94 2HD2 ASN 94 17.485 21.234 -2.983 448 H GLY 95 HN GLY 95 21.380 23.670 -4.908 449 HA2 GLY 95 2HA GLY 95 20.381 24.215 -7.038 450 HA3 GLY 95 1HA GLY 95 19.535 25.557 -6.267 451 H THR 96 HN THR 96 22.896 25.113 -5.534 452 HA THR 96 HA THR 96 23.525 27.467 -7.272 453 HB THR 96 HB THR 96 25.094 28.203 -5.619 454 HG1 THR 96 1HG THR 96 24.665 25.630 -4.547 455 HG21 THR 96 3HG2 THR 96 22.409 27.344 -4.639 456 HG22 THR 96 1HG2 THR 96 23.076 28.968 -4.806 457 HG23 THR 96 2HG2 THR 96 23.562 27.950 -3.451 458 H GLN 97 HN GLN 97 25.776 27.504 -8.102 459 HA GLN 97 HA GLN 97 27.004 24.787 -8.266 460 HB2 GLN 97 2HB GLN 97 25.694 25.257 -10.332 461 HB3 GLN 97 1HB GLN 97 26.661 26.709 -10.589 462 HG2 GLN 97 2HG GLN 97 28.706 25.324 -10.691 463 HG3 GLN 97 1HG GLN 97 27.734 23.874 -10.444 464 HE21 GLN 97 1HE2 GLN 97 29.154 23.864 -12.779 465 HE22 GLN 97 2HE2 GLN 97 28.156 24.191 -14.113 466 H VAL 98 HN VAL 98 29.320 24.864 -8.818 467 HA VAL 98 HA VAL 98 30.553 27.433 -7.918 468 HB VAL 98 HB VAL 98 32.119 24.887 -8.022 469 HG11 VAL 98 1HG1 VAL 98 32.330 26.346 -5.582 470 HG12 VAL 98 2HG1 VAL 98 32.335 27.517 -6.901 471 HG13 VAL 98 3HG1 VAL 98 33.525 26.215 -6.871 472 HG21 VAL 98 3HG2 VAL 98 30.359 23.884 -6.902 473 HG22 VAL 98 1HG2 VAL 98 29.754 25.414 -6.267 474 HG23 VAL 98 2HG2 VAL 98 31.170 24.654 -5.539 475 H GLU 99 HN GLU 99 33.200 26.575 -8.866 476 HA GLU 99 HA GLU 99 33.200 27.751 -11.444 477 HB2 GLU 99 2HB GLU 99 35.195 25.853 -10.173 478 HB3 GLU 99 1HB GLU 99 35.495 26.766 -11.653 479 HG2 GLU 99 2HG GLU 99 35.066 28.876 -10.399 480 HG3 GLU 99 1HG GLU 99 34.870 27.932 -8.922 481 H SER 100 HN SER 100 32.955 24.356 -10.460 482 HA SER 100 HA SER 100 31.758 23.672 -13.029 483 HG SER 100 HG SER 100 32.562 22.252 -14.472 484 HB2 SER 100 2HB SER 100 34.532 23.550 -12.930 485 HB3 SER 100 1HB SER 100 34.039 21.889 -12.602 486 H VAL 101 HN VAL 101 31.322 23.490 -10.038 487 HA VAL 101 HA VAL 101 30.555 20.613 -10.029 488 HB VAL 101 HB VAL 101 31.932 22.052 -7.738 489 HG11 VAL 101 1HG1 VAL 101 30.505 19.423 -7.997 490 HG12 VAL 101 2HG1 VAL 101 30.474 20.581 -6.668 491 HG13 VAL 101 3HG1 VAL 101 31.884 19.549 -6.905 492 HG21 VAL 101 3HG2 VAL 101 32.967 19.545 -8.988 493 HG22 VAL 101 1HG2 VAL 101 33.853 20.888 -8.264 494 HG23 VAL 101 2HG2 VAL 101 33.181 21.048 -9.887 495 H GLN 102 HN GLN 102 28.626 20.202 -8.873 496 HA GLN 102 HA GLN 102 27.079 22.654 -8.193 497 HB2 GLN 102 2HB GLN 102 26.144 19.805 -8.661 498 HB3 GLN 102 1HB GLN 102 25.096 21.193 -8.370 499 HG2 GLN 102 2HG GLN 102 25.917 22.277 -10.407 500 HG3 GLN 102 1HG GLN 102 27.045 20.949 -10.682 501 HE21 GLN 102 1HE2 GLN 102 25.088 21.563 -12.645 502 HE22 GLN 102 2HE2 GLN 102 23.945 20.308 -12.697 503 H LEU 103 HN LEU 103 26.034 22.834 -6.161 504 HA LEU 103 HA LEU 103 27.046 20.926 -4.091 505 HG LEU 103 HG LEU 103 28.488 23.333 -4.915 506 HB2 LEU 103 2HB LEU 103 26.278 23.850 -3.840 507 HB3 LEU 103 1HB LEU 103 26.743 22.816 -2.489 508 HD11 LEU 103 1HD1 LEU 103 29.841 24.602 -3.087 509 HD12 LEU 103 2HD1 LEU 103 28.309 24.660 -2.216 510 HD13 LEU 103 3HD1 LEU 103 28.447 25.409 -3.805 511 HD21 LEU 103 3HD2 LEU 103 28.555 21.396 -2.809 512 HD22 LEU 103 1HD2 LEU 103 29.900 22.514 -2.572 513 HD23 LEU 103 2HD2 LEU 103 29.734 21.647 -4.099 514 H LYS 104 HN LYS 104 25.534 19.856 -2.875 515 HA LYS 104 HA LYS 104 22.677 20.661 -3.260 516 HB2 LYS 104 2HB LYS 104 23.863 17.917 -2.741 517 HB3 LYS 104 1HB LYS 104 22.137 18.267 -2.823 518 HG2 LYS 104 2HG LYS 104 22.449 19.122 -5.140 519 HG3 LYS 104 1HG LYS 104 24.155 18.684 -5.051 520 HD2 LYS 104 2HD LYS 104 23.453 16.316 -4.579 521 HD3 LYS 104 1HD LYS 104 21.783 16.803 -4.870 522 HE2 LYS 104 2HE LYS 104 22.135 17.135 -7.143 523 HE3 LYS 104 1HE LYS 104 23.855 17.464 -6.934 524 HZ1 LYS 104 3HZ LYS 104 23.525 15.310 -7.939 525 HZ2 LYS 104 1HZ LYS 104 22.533 14.820 -6.653 526 HZ3 LYS 104 2HZ LYS 104 24.183 15.123 -6.383 527 H VAL 105 HN VAL 105 21.360 20.741 -1.400 528 HA VAL 105 HA VAL 105 22.783 20.331 1.199 529 HB VAL 105 HB VAL 105 20.801 22.542 0.588 530 HG11 VAL 105 1HG1 VAL 105 22.257 23.254 2.803 531 HG12 VAL 105 2HG1 VAL 105 22.128 21.507 3.010 532 HG13 VAL 105 3HG1 VAL 105 20.669 22.488 2.858 533 HG21 VAL 105 3HG2 VAL 105 22.526 23.663 -0.330 534 HG22 VAL 105 1HG2 VAL 105 23.613 22.312 -0.006 535 HG23 VAL 105 2HG2 VAL 105 23.368 23.561 1.216 536 H ASN 106 HN ASN 106 21.497 19.508 2.892 537 HA ASN 106 HA ASN 106 18.622 19.100 2.503 538 HB2 ASN 106 2HB ASN 106 20.602 16.821 2.362 539 HB3 ASN 106 1HB ASN 106 18.928 16.565 2.852 540 HD21 ASN 106 1HD2 ASN 106 20.600 15.949 0.247 541 HD22 ASN 106 2HD2 ASN 106 19.564 16.472 -0.991 542 H ILE 107 HN ILE 107 18.169 17.187 4.442 543 HA ILE 107 HA ILE 107 19.344 18.495 6.858 544 HB ILE 107 HB ILE 107 16.784 16.883 6.682 545 HG12 ILE 107 1HG1 ILE 107 16.481 18.835 5.302 546 HG13 ILE 107 2HG1 ILE 107 15.694 19.164 6.845 547 HG21 ILE 107 1HG2 ILE 107 16.461 17.414 8.898 548 HG22 ILE 107 2HG2 ILE 107 17.328 18.944 8.765 549 HG23 ILE 107 3HG2 ILE 107 18.225 17.431 8.884 550 HD11 ILE 107 3HD1 ILE 107 18.435 20.116 5.963 551 HD12 ILE 107 1HD1 ILE 107 17.795 20.325 7.592 552 HD13 ILE 107 2HD1 ILE 107 17.004 21.113 6.227 553 H ALA 108 HN ALA 108 20.415 17.221 8.346 554 HA ALA 108 HA ALA 108 20.338 14.264 7.926 555 HB1 ALA 108 1HB ALA 108 22.682 14.082 7.993 556 HB2 ALA 108 2HB ALA 108 22.880 15.686 8.697 557 HB3 ALA 108 3HB ALA 108 22.430 15.517 7.000 558 H ARG 109 HN ARG 109 20.619 13.035 9.854 559 HA ARG 109 HA ARG 109 20.180 14.615 12.341 560 HE ARG 109 HE ARG 109 17.244 11.265 13.956 561 HB2 ARG 109 2HB ARG 109 19.747 11.662 11.792 562 HB3 ARG 109 1HB ARG 109 19.343 12.497 13.292 563 HG2 ARG 109 2HG ARG 109 17.769 13.945 12.076 564 HG3 ARG 109 1HG ARG 109 18.190 13.146 10.561 565 HD2 ARG 109 2HD ARG 109 16.146 12.143 11.371 566 HD3 ARG 109 1HD ARG 109 17.442 10.970 11.601 567 HH11 ARG 109 1HH1 ARG 109 14.362 11.943 12.793 568 HH12 ARG 109 2HH1 ARG 109 13.938 13.230 13.872 569 HH21 ARG 109 1HH2 ARG 109 17.160 13.628 15.088 570 HH22 ARG 109 2HH2 ARG 109 15.522 14.183 15.172 571 H LYS 110 HN LYS 110 22.839 14.278 11.122 572 HA LYS 110 HA LYS 110 24.287 12.253 12.600 573 HB2 LYS 110 2HB LYS 110 25.064 13.328 10.447 574 HB3 LYS 110 1HB LYS 110 25.406 14.788 11.375 575 HG2 LYS 110 2HG LYS 110 26.929 13.488 12.836 576 HG3 LYS 110 1HG LYS 110 26.606 12.045 11.875 577 HD2 LYS 110 2HD LYS 110 27.470 13.242 9.861 578 HD3 LYS 110 1HD LYS 110 27.879 14.616 10.887 579 HE2 LYS 110 2HE LYS 110 29.089 12.651 12.287 580 HE3 LYS 110 1HE LYS 110 29.189 11.953 10.670 581 HZ1 LYS 110 3HZ LYS 110 31.093 13.239 10.837 582 HZ2 LYS 110 1HZ LYS 110 30.308 14.500 11.654 583 HZ3 LYS 110 2HZ LYS 110 30.026 14.258 9.996 584 H GLN 111 HN GLN 111 22.814 15.073 13.614 585 HA GLN 111 HA GLN 111 24.752 15.350 15.874 586 HB2 GLN 111 2HB GLN 111 24.705 17.392 14.544 587 HB3 GLN 111 1HB GLN 111 22.943 17.438 14.623 588 HG2 GLN 111 2HG GLN 111 23.449 18.887 16.354 589 HG3 GLN 111 1HG GLN 111 23.415 17.368 17.242 590 HE21 GLN 111 1HE2 GLN 111 25.715 16.192 17.193 591 HE22 GLN 111 2HE2 GLN 111 27.052 17.206 17.445 592 HA PRO 112 HA PRO 112 20.658 13.906 17.561 593 HB2 PRO 112 2HB PRO 112 21.590 11.742 18.861 594 HB3 PRO 112 1HB PRO 112 21.119 11.705 17.162 595 HG2 PRO 112 2HG PRO 112 23.826 11.750 18.380 596 HG3 PRO 112 1HG PRO 112 23.284 10.989 16.884 597 HD2 PRO 112 1HD PRO 112 24.675 13.397 17.065 598 HD3 PRO 112 2HD PRO 112 23.776 12.836 15.657 599 H MET 113 HN MET 113 23.811 14.519 18.953 600 HA MET 113 HA MET 113 23.466 14.263 21.676 601 HB2 MET 113 2HB MET 113 24.679 16.625 21.750 602 HB3 MET 113 1HB MET 113 25.522 15.196 21.154 603 HG2 MET 113 2HG MET 113 25.613 16.000 19.040 604 HG3 MET 113 1HG MET 113 23.941 16.556 19.087 605 HE1 MET 113 3HE MET 113 23.294 18.334 18.824 606 HE2 MET 113 1HE MET 113 24.334 19.656 18.273 607 HE3 MET 113 2HE MET 113 23.573 19.731 19.860 608 H LEU 114 HN LEU 114 21.961 16.681 19.592 609 HA LEU 114 HA LEU 114 20.097 17.312 21.817 610 HG LEU 114 HG LEU 114 19.251 19.314 22.170 611 HB2 LEU 114 2HB LEU 114 21.960 19.045 21.720 612 HB3 LEU 114 1HB LEU 114 21.355 19.485 20.123 613 HD11 LEU 114 1HD1 LEU 114 20.515 20.335 23.782 614 HD12 LEU 114 2HD1 LEU 114 20.168 21.781 22.834 615 HD13 LEU 114 3HD1 LEU 114 21.698 20.932 22.619 616 HD21 LEU 114 3HD2 LEU 114 19.902 20.729 19.736 617 HD22 LEU 114 1HD2 LEU 114 19.432 21.876 20.990 618 HD23 LEU 114 2HD2 LEU 114 18.339 20.568 20.535 619 H ASP 115 HN ASP 115 20.038 15.823 19.198 620 HA ASP 115 HA ASP 115 18.701 15.705 17.257 621 HB2 ASP 115 2HB ASP 115 16.802 17.068 19.193 622 HB3 ASP 115 1HB ASP 115 16.323 16.256 17.703 623 H ALA 116 HN ALA 116 20.410 17.694 16.808 624 HA ALA 116 HA ALA 116 20.690 19.664 15.556 625 HB1 ALA 116 1HB ALA 116 17.710 19.334 15.119 626 HB2 ALA 116 2HB ALA 116 18.979 18.691 14.077 627 HB3 ALA 116 3HB ALA 116 18.755 20.435 14.225 628 H ALA 117 HN ALA 117 17.380 20.274 16.686 629 HA ALA 117 HA ALA 117 18.298 22.013 18.828 630 HB1 ALA 117 1HB ALA 117 18.008 24.077 17.875 631 HB2 ALA 117 2HB ALA 117 16.719 23.513 16.810 632 HB3 ALA 117 3HB ALA 117 18.406 23.189 16.402 633 H THR 118 HN THR 118 16.485 22.799 20.111 634 HA THR 118 HA THR 118 13.861 21.581 19.363 635 HB THR 118 HB THR 118 13.534 20.774 21.585 636 HG1 THR 118 1HG THR 118 14.372 22.493 22.732 637 HG21 THR 118 3HG2 THR 118 16.243 20.249 20.414 638 HG22 THR 118 1HG2 THR 118 14.864 19.160 20.572 639 HG23 THR 118 2HG2 THR 118 15.842 19.557 21.985 640 H GLY 119 HN GLY 119 12.041 22.597 20.674 641 HA2 GLY 119 1HA GLY 119 12.637 25.347 21.609 642 HA3 GLY 119 2HA GLY 119 11.509 25.175 20.264 643 H LYS 120 HN LYS 120 10.393 26.333 22.380 644 HA LYS 120 HA LYS 120 8.613 26.148 23.898 645 HB2 LYS 120 2HB LYS 120 8.367 23.404 22.623 646 HB3 LYS 120 1HB LYS 120 7.149 24.163 23.650 647 HG2 LYS 120 2HG LYS 120 7.034 26.064 22.030 648 HG3 LYS 120 1HG LYS 120 8.156 25.197 20.981 649 HD2 LYS 120 2HD LYS 120 6.543 23.287 20.911 650 HD3 LYS 120 1HD LYS 120 5.407 24.254 21.852 651 HE2 LYS 120 2HE LYS 120 6.539 25.542 19.423 652 HE3 LYS 120 1HE LYS 120 5.405 24.220 19.151 653 HZ1 LYS 120 3HZ LYS 120 3.765 25.316 20.450 654 HZ2 LYS 120 1HZ LYS 120 4.360 26.450 19.337 655 HZ3 LYS 120 2HZ LYS 120 4.864 26.509 20.959 656 H SER 121 HN SER 121 11.184 25.618 24.904 657 HA SER 121 HA SER 121 10.483 23.907 27.189 658 HG SER 121 HG SER 121 12.054 23.262 24.168 659 HB2 SER 121 2HB SER 121 12.801 22.719 26.841 660 HB3 SER 121 1HB SER 121 11.388 22.132 25.965 Start of MODEL 6 1 H ALA 35 HN ALA 35 21.506 23.078 29.210 2 HA ALA 35 HA ALA 35 23.062 22.383 26.880 3 HB1 ALA 35 1HB ALA 35 20.333 21.815 26.090 4 HB2 ALA 35 2HB ALA 35 20.847 20.711 27.366 5 HB3 ALA 35 3HB ALA 35 21.778 20.828 25.873 6 HA PRO 36 HA PRO 36 20.703 26.495 27.104 7 HB2 PRO 36 2HB PRO 36 22.886 28.082 27.250 8 HB3 PRO 36 1HB PRO 36 22.078 27.425 28.677 9 HG2 PRO 36 2HG PRO 36 24.544 26.457 27.278 10 HG3 PRO 36 1HG PRO 36 24.241 26.620 29.010 11 HD2 PRO 36 2HD PRO 36 24.079 24.237 27.744 12 HD3 PRO 36 1HD PRO 36 23.048 24.640 29.118 13 H ARG 37 HN ARG 37 23.036 24.944 25.148 14 HA ARG 37 HA ARG 37 22.542 26.942 22.975 15 HE ARG 37 HE ARG 37 26.718 28.721 25.334 16 HB2 ARG 37 2HB ARG 37 25.002 25.242 23.477 17 HB3 ARG 37 1HB ARG 37 24.748 26.229 22.038 18 HG2 ARG 37 2HG ARG 37 24.497 28.233 23.522 19 HG3 ARG 37 1HG ARG 37 24.909 27.215 24.902 20 HD2 ARG 37 2HD ARG 37 27.055 26.619 23.698 21 HD3 ARG 37 1HD ARG 37 26.654 27.857 22.508 22 HH11 ARG 37 1HH1 ARG 37 29.483 27.970 24.417 23 HH12 ARG 37 2HH1 ARG 37 30.060 29.467 23.764 24 HH21 ARG 37 1HH2 ARG 37 26.908 30.898 23.555 25 HH22 ARG 37 2HH2 ARG 37 28.602 31.125 23.275 26 H LYS 38 HN LYS 38 21.846 26.106 21.012 27 HA LYS 38 HA LYS 38 21.394 23.150 20.948 28 HB2 LYS 38 2HB LYS 38 19.910 25.280 19.383 29 HB3 LYS 38 1HB LYS 38 19.480 23.575 19.534 30 HG2 LYS 38 2HG LYS 38 19.302 23.969 22.043 31 HG3 LYS 38 1HG LYS 38 19.429 25.693 21.698 32 HD2 LYS 38 2HD LYS 38 17.444 25.566 20.254 33 HD3 LYS 38 1HD LYS 38 17.329 23.830 20.545 34 HE2 LYS 38 2HE LYS 38 16.099 24.260 22.381 35 HE3 LYS 38 1HE LYS 38 17.496 25.068 23.091 36 HZ1 LYS 38 3HZ LYS 38 16.088 26.638 21.124 37 HZ2 LYS 38 1HZ LYS 38 16.649 27.076 22.664 38 HZ3 LYS 38 2HZ LYS 38 15.163 26.268 22.501 39 H GLY 39 HN GLY 39 20.819 22.951 18.196 40 HA2 GLY 39 1HA GLY 39 22.762 24.198 16.513 41 HA3 GLY 39 2HA GLY 39 23.398 22.652 17.067 42 H ASN 40 HN ASN 40 23.071 22.691 14.435 43 HA ASN 40 HA ASN 40 20.835 20.834 14.002 44 HB2 ASN 40 2HB ASN 40 19.983 23.243 13.622 45 HB3 ASN 40 1HB ASN 40 21.022 23.249 12.197 46 HD21 ASN 40 1HD2 ASN 40 18.944 23.380 10.916 47 HD22 ASN 40 2HD2 ASN 40 18.065 21.959 10.627 48 H THR 41 HN THR 41 21.994 19.198 13.091 49 HA THR 41 HA THR 41 24.389 19.678 11.524 50 HB THR 41 HB THR 41 22.774 17.126 11.785 51 HG1 THR 41 1HG THR 41 24.648 16.808 13.340 52 HG21 THR 41 3HG2 THR 41 24.399 17.106 9.946 53 HG22 THR 41 1HG2 THR 41 24.943 16.057 11.255 54 HG23 THR 41 2HG2 THR 41 25.665 17.653 11.044 55 H LEU 42 HN LEU 42 24.590 19.767 9.311 56 HA LEU 42 HA LEU 42 22.086 19.387 7.717 57 HG LEU 42 HG LEU 42 23.600 21.931 9.137 58 HB2 LEU 42 2HB LEU 42 24.357 21.206 6.910 59 HB3 LEU 42 1HB LEU 42 22.689 21.212 6.337 60 HD11 LEU 42 1HD1 LEU 42 23.426 23.447 6.709 61 HD12 LEU 42 2HD1 LEU 42 23.865 24.011 8.322 62 HD13 LEU 42 3HD1 LEU 42 22.175 24.013 7.816 63 HD21 LEU 42 3HD2 LEU 42 21.365 20.823 9.018 64 HD22 LEU 42 1HD2 LEU 42 20.846 22.059 7.873 65 HD23 LEU 42 2HD2 LEU 42 21.258 22.508 9.527 66 H TYR 43 HN TYR 43 22.438 18.578 5.515 67 HA TYR 43 HA TYR 43 24.958 16.978 5.315 68 HD1 TYR 43 HD1 TYR 43 24.835 14.138 5.461 69 HD2 TYR 43 HD2 TYR 43 23.118 15.792 1.887 70 HE1 TYR 43 HE1 TYR 43 26.073 12.477 4.096 71 HE2 TYR 43 HE2 TYR 43 24.356 14.132 0.524 72 HH TYR 43 HH TYR 43 26.477 11.706 2.061 73 HB2 TYR 43 2HB TYR 43 22.864 15.638 5.536 74 HB3 TYR 43 1HB TYR 43 22.256 16.395 4.063 75 H VAL 44 HN VAL 44 26.302 17.667 3.729 76 HA VAL 44 HA VAL 44 25.095 19.133 1.418 77 HB VAL 44 HB VAL 44 27.898 19.390 2.551 78 HG11 VAL 44 1HG1 VAL 44 27.905 19.900 0.202 79 HG12 VAL 44 2HG1 VAL 44 27.878 21.443 1.053 80 HG13 VAL 44 3HG1 VAL 44 26.398 20.808 0.334 81 HG21 VAL 44 3HG2 VAL 44 26.235 20.315 4.091 82 HG22 VAL 44 1HG2 VAL 44 25.472 21.200 2.769 83 HG23 VAL 44 2HG2 VAL 44 27.100 21.630 3.295 84 H TYR 45 HN TYR 45 25.552 18.354 -0.619 85 HA TYR 45 HA TYR 45 27.554 16.137 -0.800 86 HD1 TYR 45 HD1 TYR 45 26.824 13.400 -1.049 87 HD2 TYR 45 HD2 TYR 45 25.802 15.797 -4.465 88 HE1 TYR 45 HE1 TYR 45 27.787 11.675 -2.548 89 HE2 TYR 45 HE2 TYR 45 26.765 14.072 -5.963 90 HH TYR 45 HH TYR 45 28.451 11.242 -4.661 91 HB2 TYR 45 2HB TYR 45 25.216 15.282 -0.890 92 HB3 TYR 45 1HB TYR 45 24.913 16.322 -2.282 93 H GLY 46 HN GLY 46 29.061 16.439 -2.382 94 HA2 GLY 46 1HA GLY 46 28.540 17.703 -4.899 95 HA3 GLY 46 2HA GLY 46 29.306 18.863 -3.813 96 H GLU 47 HN GLU 47 30.951 18.544 -5.724 97 HA GLU 47 HA GLU 47 32.779 16.281 -5.018 98 HB2 GLU 47 2HB GLU 47 32.530 17.783 -7.643 99 HB3 GLU 47 1HB GLU 47 33.652 16.462 -7.319 100 HG2 GLU 47 2HG GLU 47 31.717 14.975 -6.834 101 HG3 GLU 47 1HG GLU 47 30.624 16.296 -7.246 102 H ASP 48 HN ASP 48 35.086 16.792 -5.063 103 HA ASP 48 HA ASP 48 36.835 18.144 -4.237 104 HB2 ASP 48 2HB ASP 48 35.663 20.053 -6.283 105 HB3 ASP 48 1HB ASP 48 37.321 20.047 -5.682 106 H MET 49 HN MET 49 34.799 18.281 -2.443 107 HA MET 49 HA MET 49 34.290 21.172 -1.952 108 HB2 MET 49 2HB MET 49 33.134 18.691 -0.651 109 HB3 MET 49 1HB MET 49 32.699 20.345 -0.221 110 HG2 MET 49 2HG MET 49 32.064 20.697 -2.653 111 HG3 MET 49 1HG MET 49 32.269 18.960 -2.882 112 HE1 MET 49 3HE MET 49 30.779 18.071 0.403 113 HE2 MET 49 1HE MET 49 31.653 17.491 -1.022 114 HE3 MET 49 2HE MET 49 29.925 17.186 -0.859 115 H THR 50 HN THR 50 35.226 22.219 -0.219 116 HA THR 50 HA THR 50 36.975 20.558 1.554 117 HB THR 50 HB THR 50 38.092 23.027 1.722 118 HG1 THR 50 1HG THR 50 37.135 24.136 0.197 119 HG21 THR 50 3HG2 THR 50 38.601 20.554 0.242 120 HG22 THR 50 1HG2 THR 50 39.715 21.554 1.173 121 HG23 THR 50 2HG2 THR 50 39.354 21.964 -0.504 122 HA PRO 51 HA PRO 51 34.893 22.236 5.080 123 HB2 PRO 51 2HB PRO 51 36.912 22.703 6.814 124 HB3 PRO 51 1HB PRO 51 36.351 21.080 6.407 125 HG2 PRO 51 2HG PRO 51 38.718 22.585 5.363 126 HG3 PRO 51 1HG PRO 51 38.601 20.889 5.840 127 HD2 PRO 51 1HD PRO 51 38.529 21.671 3.248 128 HD3 PRO 51 2HD PRO 51 37.652 20.256 3.832 129 H THR 52 HN THR 52 37.925 24.105 4.619 130 HA THR 52 HA THR 52 37.038 26.508 5.783 131 HB THR 52 HB THR 52 38.841 26.279 3.354 132 HG1 THR 52 1HG THR 52 39.558 24.939 5.017 133 HG21 THR 52 3HG2 THR 52 38.051 28.568 3.999 134 HG22 THR 52 1HG2 THR 52 39.795 28.361 4.158 135 HG23 THR 52 2HG2 THR 52 38.768 28.321 5.592 136 H LEU 53 HN LEU 53 36.804 25.495 2.361 137 HA LEU 53 HA LEU 53 35.466 27.815 1.412 138 HG LEU 53 HG LEU 53 33.516 26.853 -0.334 139 HB2 LEU 53 2HB LEU 53 36.403 26.015 -0.046 140 HB3 LEU 53 1HB LEU 53 35.084 24.959 0.459 141 HD11 LEU 53 1HD1 LEU 53 35.791 27.623 -2.128 142 HD12 LEU 53 2HD1 LEU 53 35.683 28.363 -0.531 143 HD13 LEU 53 3HD1 LEU 53 34.359 28.550 -1.680 144 HD21 LEU 53 3HD2 LEU 53 34.962 24.791 -1.806 145 HD22 LEU 53 1HD2 LEU 53 34.438 26.104 -2.860 146 HD23 LEU 53 2HD2 LEU 53 33.256 25.231 -1.885 147 H LEU 54 HN LEU 54 34.116 24.739 2.641 148 HA LEU 54 HA LEU 54 31.378 25.429 2.384 149 HG LEU 54 HG LEU 54 32.761 23.220 1.843 150 HB2 LEU 54 2HB LEU 54 32.764 23.685 4.441 151 HB3 LEU 54 1HB LEU 54 31.015 23.761 4.225 152 HD11 LEU 54 1HD1 LEU 54 33.383 21.159 2.525 153 HD12 LEU 54 2HD1 LEU 54 31.760 20.796 3.111 154 HD13 LEU 54 3HD1 LEU 54 32.904 21.644 4.151 155 HD21 LEU 54 3HD2 LEU 54 29.988 23.352 2.407 156 HD22 LEU 54 1HD2 LEU 54 30.354 21.653 2.112 157 HD23 LEU 54 2HD2 LEU 54 30.750 22.864 0.893 158 H ARG 55 HN ARG 55 33.633 25.956 5.100 159 HA ARG 55 HA ARG 55 31.863 27.082 6.959 160 HE ARG 55 HE ARG 55 36.184 24.542 8.721 161 HB2 ARG 55 2HB ARG 55 34.738 27.785 6.315 162 HB3 ARG 55 1HB ARG 55 33.869 28.476 7.687 163 HG2 ARG 55 2HG ARG 55 33.403 26.164 8.506 164 HG3 ARG 55 1HG ARG 55 34.379 25.528 7.182 165 HD2 ARG 55 2HD ARG 55 36.292 26.951 8.036 166 HD3 ARG 55 1HD ARG 55 35.304 27.306 9.454 167 HH11 ARG 55 1HH1 ARG 55 34.385 26.392 10.886 168 HH12 ARG 55 2HH1 ARG 55 35.082 25.706 12.316 169 HH21 ARG 55 1HH2 ARG 55 37.497 23.909 10.597 170 HH22 ARG 55 2HH2 ARG 55 36.843 24.300 12.153 171 H GLY 56 HN GLY 56 33.412 28.614 4.154 172 HA2 GLY 56 2HA GLY 56 32.390 31.257 4.710 173 HA3 GLY 56 1HA GLY 56 33.020 30.707 3.157 174 H ALA 57 HN ALA 57 31.128 28.430 3.043 175 HA ALA 57 HA ALA 57 28.883 29.882 1.858 176 HB1 ALA 57 1HB ALA 57 28.680 27.997 0.640 177 HB2 ALA 57 2HB ALA 57 28.437 27.033 2.097 178 HB3 ALA 57 3HB ALA 57 30.070 27.347 1.508 179 H PHE 58 HN PHE 58 29.579 28.361 4.892 180 HA PHE 58 HA PHE 58 26.700 28.654 5.659 181 HD1 PHE 58 HD1 PHE 58 29.044 25.786 4.419 182 HD2 PHE 58 HD2 PHE 58 25.206 26.104 6.321 183 HE1 PHE 58 HE1 PHE 58 28.085 24.230 2.744 184 HE2 PHE 58 HE2 PHE 58 24.247 24.547 4.647 185 HZ PHE 58 HZ PHE 58 25.687 23.610 2.858 186 HB2 PHE 58 2HB PHE 58 28.799 26.723 6.692 187 HB3 PHE 58 1HB PHE 58 27.204 26.929 7.417 188 H SER 59 HN SER 59 29.485 30.256 5.864 189 HA SER 59 HA SER 59 29.721 30.712 8.723 190 HG SER 59 HG SER 59 32.393 32.047 8.549 191 HB2 SER 59 2HB SER 59 31.066 31.587 6.287 192 HB3 SER 59 1HB SER 59 30.860 32.908 7.438 193 HA PRO 60 HA PRO 60 27.481 34.895 7.662 194 HB2 PRO 60 2HB PRO 60 26.261 35.074 5.257 195 HB3 PRO 60 1HB PRO 60 27.933 35.568 5.528 196 HG2 PRO 60 2HG PRO 60 26.873 33.028 4.353 197 HG3 PRO 60 1HG PRO 60 28.232 34.018 3.815 198 HD2 PRO 60 2HD PRO 60 28.580 31.754 5.250 199 HD3 PRO 60 1HD PRO 60 29.669 33.133 5.395 200 H PHE 61 HN PHE 61 26.104 31.893 6.388 201 HA PHE 61 HA PHE 61 23.350 32.629 6.789 202 HD1 PHE 61 HD1 PHE 61 21.533 31.174 5.206 203 HD2 PHE 61 HD2 PHE 61 25.704 30.557 4.391 204 HE1 PHE 61 HE1 PHE 61 21.124 31.584 2.795 205 HE2 PHE 61 HE2 PHE 61 25.295 30.967 1.980 206 HZ PHE 61 HZ PHE 61 23.005 31.481 1.181 207 HB2 PHE 61 2HB PHE 61 24.787 29.986 6.535 208 HB3 PHE 61 1HB PHE 61 23.054 30.063 6.846 209 H GLY 62 HN GLY 62 25.854 31.379 8.904 210 HA2 GLY 62 1HA GLY 62 24.603 32.167 11.296 211 HA3 GLY 62 2HA GLY 62 24.121 30.493 11.023 212 H ASN 63 HN ASN 63 25.504 30.612 13.212 213 HA ASN 63 HA ASN 63 28.403 30.381 12.635 214 HB2 ASN 63 2HB ASN 63 27.528 31.645 14.652 215 HB3 ASN 63 1HB ASN 63 26.998 30.095 15.304 216 HD21 ASN 63 1HD2 ASN 63 28.712 30.886 17.032 217 HD22 ASN 63 2HD2 ASN 63 30.311 30.377 16.772 218 H ILE 64 HN ILE 64 29.486 28.426 12.691 219 HA ILE 64 HA ILE 64 27.779 25.999 12.933 220 HB ILE 64 HB ILE 64 30.599 26.272 11.847 221 HG12 ILE 64 2HG1 ILE 64 28.035 25.958 10.273 222 HG13 ILE 64 1HG1 ILE 64 28.746 27.535 10.612 223 HG21 ILE 64 1HG2 ILE 64 28.568 24.044 11.953 224 HG22 ILE 64 2HG2 ILE 64 30.263 24.008 12.440 225 HG23 ILE 64 3HG2 ILE 64 29.837 24.065 10.729 226 HD11 ILE 64 3HD1 ILE 64 29.727 25.356 8.827 227 HD12 ILE 64 1HD1 ILE 64 30.942 26.300 9.689 228 HD13 ILE 64 2HD1 ILE 64 29.803 27.105 8.610 229 H ILE 65 HN ILE 65 28.116 24.532 14.566 230 HA ILE 65 HA ILE 65 30.222 25.223 16.556 231 HB ILE 65 HB ILE 65 28.905 23.975 18.160 232 HG12 ILE 65 2HG1 ILE 65 27.131 23.235 15.814 233 HG13 ILE 65 1HG1 ILE 65 28.251 22.139 16.622 234 HG21 ILE 65 1HG2 ILE 65 27.373 25.846 16.357 235 HG22 ILE 65 2HG2 ILE 65 28.047 26.165 17.956 236 HG23 ILE 65 3HG2 ILE 65 26.618 25.144 17.788 237 HD11 ILE 65 3HD1 ILE 65 25.653 22.336 17.324 238 HD12 ILE 65 1HD1 ILE 65 26.324 23.594 18.362 239 HD13 ILE 65 2HD1 ILE 65 26.921 21.940 18.484 240 H ASP 66 HN ASP 66 29.287 22.803 14.252 241 HA ASP 66 HA ASP 66 31.718 21.262 14.968 242 HB2 ASP 66 2HB ASP 66 29.847 20.165 16.170 243 HB3 ASP 66 1HB ASP 66 28.985 19.986 14.643 244 H LEU 67 HN LEU 67 32.823 21.336 13.072 245 HA LEU 67 HA LEU 67 31.279 21.047 10.531 246 HG LEU 67 HG LEU 67 33.717 20.945 8.847 247 HB2 LEU 67 2HB LEU 67 32.600 23.102 10.653 248 HB3 LEU 67 1HB LEU 67 34.047 22.176 11.051 249 HD11 LEU 67 1HD1 LEU 67 31.268 21.842 8.752 250 HD12 LEU 67 2HD1 LEU 67 32.191 21.753 7.252 251 HD13 LEU 67 3HD1 LEU 67 32.001 23.298 8.081 252 HD21 LEU 67 3HD2 LEU 67 35.018 22.510 7.724 253 HD22 LEU 67 1HD2 LEU 67 35.188 23.083 9.383 254 HD23 LEU 67 2HD2 LEU 67 34.051 23.872 8.290 255 H SER 68 HN SER 68 31.459 19.101 9.525 256 HA SER 68 HA SER 68 33.974 17.541 9.916 257 HG SER 68 HG SER 68 32.609 14.819 9.334 258 HB2 SER 68 2HB SER 68 32.130 16.671 11.390 259 HB3 SER 68 1HB SER 68 31.190 16.340 9.935 260 H MET 69 HN MET 69 34.683 16.488 8.062 261 HA MET 69 HA MET 69 33.002 16.892 5.620 262 HB2 MET 69 2HB MET 69 36.019 16.651 5.852 263 HB3 MET 69 1HB MET 69 35.120 16.892 4.354 264 HG2 MET 69 2HG MET 69 35.093 18.786 6.723 265 HG3 MET 69 1HG MET 69 36.026 19.027 5.246 266 HE1 MET 69 3HE MET 69 33.367 19.261 2.491 267 HE2 MET 69 1HE MET 69 33.869 17.690 3.131 268 HE3 MET 69 2HE MET 69 35.050 18.982 2.931 269 H ASP 70 HN ASP 70 32.941 15.144 4.091 270 HA ASP 70 HA ASP 70 33.975 12.536 5.117 271 HB2 ASP 70 2HB ASP 70 31.279 13.281 5.065 272 HB3 ASP 70 1HB ASP 70 31.483 12.275 3.631 273 HA PRO 71 HA PRO 71 35.439 12.951 0.827 274 HB2 PRO 71 2HB PRO 71 37.590 11.352 1.136 275 HB3 PRO 71 1HB PRO 71 37.572 13.059 1.580 276 HG2 PRO 71 2HG PRO 71 37.381 10.648 3.308 277 HG3 PRO 71 1HG PRO 71 38.143 12.203 3.634 278 HD2 PRO 71 2HD PRO 71 35.673 11.437 4.614 279 HD3 PRO 71 1HD PRO 71 36.220 13.105 4.462 280 HA PRO 72 HA PRO 72 34.965 8.145 0.372 281 HB2 PRO 72 2HB PRO 72 33.513 6.878 2.255 282 HB3 PRO 72 1HB PRO 72 35.267 7.044 2.352 283 HG2 PRO 72 2HG PRO 72 33.134 8.562 3.773 284 HG3 PRO 72 1HG PRO 72 34.711 8.033 4.363 285 HD2 PRO 72 1HD PRO 72 34.146 10.592 3.557 286 HD3 PRO 72 2HD PRO 72 35.761 9.894 3.563 287 H ARG 73 HN ARG 73 32.371 9.972 1.956 288 HA ARG 73 HA ARG 73 30.405 8.752 0.081 289 HE ARG 73 HE ARG 73 25.850 8.252 1.018 290 HB2 ARG 73 2HB ARG 73 29.926 8.867 2.571 291 HB3 ARG 73 1HB ARG 73 29.848 10.620 2.399 292 HG2 ARG 73 2HG ARG 73 27.594 9.812 2.206 293 HG3 ARG 73 1HG ARG 73 28.112 10.246 0.578 294 HD2 ARG 73 2HD ARG 73 28.687 7.877 0.141 295 HD3 ARG 73 1HD ARG 73 28.134 7.452 1.760 296 HH11 ARG 73 1HH1 ARG 73 27.076 9.335 -1.617 297 HH12 ARG 73 2HH1 ARG 73 26.502 8.141 -2.735 298 HH21 ARG 73 1HH2 ARG 73 25.624 5.868 -0.266 299 HH22 ARG 73 2HH2 ARG 73 25.681 6.179 -1.969 300 H ASN 74 HN ASN 74 32.413 11.418 0.272 301 HA ASN 74 HA ASN 74 32.492 13.414 -0.956 302 HB2 ASN 74 2HB ASN 74 30.225 12.077 -2.467 303 HB3 ASN 74 1HB ASN 74 31.086 13.520 -3.002 304 HD21 ASN 74 1HD2 ASN 74 31.133 11.141 -4.580 305 HD22 ASN 74 2HD2 ASN 74 32.706 10.502 -4.555 306 H CYS 75 HN CYS 75 31.068 13.469 1.463 307 HA CYS 75 HA CYS 75 29.145 15.641 0.866 308 HG CYS 75 HG CYS 75 28.257 13.115 4.002 309 HB2 CYS 75 2HB CYS 75 27.403 14.687 2.279 310 HB3 CYS 75 1HB CYS 75 27.812 13.527 1.014 311 H ALA 76 HN ALA 76 29.090 17.192 2.508 312 HA ALA 76 HA ALA 76 31.016 16.731 4.744 313 HB1 ALA 76 1HB ALA 76 29.983 19.320 3.546 314 HB2 ALA 76 2HB ALA 76 31.581 18.623 3.283 315 HB3 ALA 76 3HB ALA 76 31.126 19.207 4.883 316 H PHE 77 HN PHE 77 30.399 17.783 6.843 317 HA PHE 77 HA PHE 77 27.427 17.783 7.206 318 HD1 PHE 77 HD1 PHE 77 26.214 15.542 8.021 319 HD2 PHE 77 HD2 PHE 77 30.469 14.962 7.883 320 HE1 PHE 77 HE1 PHE 77 25.880 13.342 6.925 321 HE2 PHE 77 HE2 PHE 77 30.134 12.763 6.786 322 HZ PHE 77 HZ PHE 77 27.839 11.953 6.307 323 HB2 PHE 77 2HB PHE 77 29.559 16.775 9.115 324 HB3 PHE 77 1HB PHE 77 27.835 16.857 9.474 325 H VAL 78 HN VAL 78 26.624 19.614 8.141 326 HA VAL 78 HA VAL 78 28.557 21.410 9.553 327 HB VAL 78 HB VAL 78 26.264 22.268 7.766 328 HG11 VAL 78 1HG1 VAL 78 28.041 23.635 9.686 329 HG12 VAL 78 2HG1 VAL 78 26.470 24.133 9.056 330 HG13 VAL 78 3HG1 VAL 78 27.931 24.417 8.108 331 HG21 VAL 78 3HG2 VAL 78 28.666 21.258 6.931 332 HG22 VAL 78 1HG2 VAL 78 29.048 22.974 7.075 333 HG23 VAL 78 2HG2 VAL 78 27.727 22.449 6.030 334 H THR 79 HN THR 79 27.794 22.297 11.478 335 HA THR 79 HA THR 79 25.029 21.472 12.270 336 HB THR 79 HB THR 79 27.214 22.108 14.240 337 HG1 THR 79 1HG THR 79 26.683 19.512 13.280 338 HG21 THR 79 3HG2 THR 79 25.818 21.118 15.768 339 HG22 THR 79 1HG2 THR 79 25.180 19.965 14.595 340 HG23 THR 79 2HG2 THR 79 24.596 21.628 14.605 341 H TYR 80 HN TYR 80 23.711 23.234 12.197 342 HA TYR 80 HA TYR 80 24.851 25.921 12.706 343 HD1 TYR 80 HD1 TYR 80 24.942 27.556 11.815 344 HD2 TYR 80 HD2 TYR 80 22.449 25.334 9.113 345 HE1 TYR 80 HE1 TYR 80 26.071 28.633 9.888 346 HE2 TYR 80 HE2 TYR 80 23.577 26.412 7.186 347 HH TYR 80 HH TYR 80 25.922 29.009 7.651 348 HB2 TYR 80 2HB TYR 80 22.390 24.849 11.417 349 HB3 TYR 80 1HB TYR 80 22.248 26.417 12.214 350 H GLU 81 HN GLU 81 24.723 26.796 14.704 351 HA GLU 81 HA GLU 81 23.837 25.665 17.030 352 HB2 GLU 81 2HB GLU 81 24.975 27.872 16.880 353 HB3 GLU 81 1HB GLU 81 23.458 28.594 16.345 354 HG2 GLU 81 2HG GLU 81 22.384 27.842 18.458 355 HG3 GLU 81 1HG GLU 81 23.936 27.196 18.995 356 H LYS 82 HN LYS 82 21.773 27.263 14.640 357 HA LYS 82 HA LYS 82 19.418 26.247 16.181 358 HB2 LYS 82 2HB LYS 82 19.636 28.866 14.662 359 HB3 LYS 82 1HB LYS 82 18.161 28.244 15.405 360 HG2 LYS 82 2HG LYS 82 19.307 28.238 17.614 361 HG3 LYS 82 1HG LYS 82 20.739 28.934 16.852 362 HD2 LYS 82 2HD LYS 82 19.368 30.878 16.120 363 HD3 LYS 82 1HD LYS 82 17.979 30.192 16.964 364 HE2 LYS 82 2HE LYS 82 18.891 31.725 18.520 365 HE3 LYS 82 1HE LYS 82 19.514 30.162 19.048 366 HZ1 LYS 82 3HZ LYS 82 21.604 30.647 18.348 367 HZ2 LYS 82 1HZ LYS 82 21.085 32.223 18.700 368 HZ3 LYS 82 2HZ LYS 82 21.082 31.668 17.094 369 H MET 83 HN MET 83 17.546 25.747 14.808 370 HA MET 83 HA MET 83 18.346 24.446 12.335 371 HB2 MET 83 2HB MET 83 15.592 24.922 13.519 372 HB3 MET 83 1HB MET 83 15.947 23.849 12.165 373 HG2 MET 83 2HG MET 83 17.459 22.532 13.626 374 HG3 MET 83 1HG MET 83 17.054 23.588 14.978 375 HE1 MET 83 3HE MET 83 16.249 20.345 15.570 376 HE2 MET 83 1HE MET 83 15.047 21.172 16.569 377 HE3 MET 83 2HE MET 83 16.632 21.896 16.311 378 H GLU 84 HN GLU 84 17.077 27.554 13.187 379 HA GLU 84 HA GLU 84 15.857 28.198 10.654 380 HB2 GLU 84 2HB GLU 84 17.026 29.971 12.819 381 HB3 GLU 84 1HB GLU 84 16.107 30.568 11.438 382 HG2 GLU 84 2HG GLU 84 15.092 28.587 13.500 383 HG3 GLU 84 1HG GLU 84 14.659 30.295 13.426 384 H SER 85 HN SER 85 19.095 28.865 12.014 385 HA SER 85 HA SER 85 20.149 30.304 9.823 386 HG SER 85 HG SER 85 21.565 30.972 12.190 387 HB2 SER 85 2HB SER 85 21.691 28.295 11.487 388 HB3 SER 85 1HB SER 85 22.330 29.718 10.666 389 H ALA 86 HN ALA 86 19.751 26.824 10.291 390 HA ALA 86 HA ALA 86 21.245 26.105 7.903 391 HB1 ALA 86 1HB ALA 86 20.907 24.547 9.825 392 HB2 ALA 86 2HB ALA 86 20.371 23.857 8.294 393 HB3 ALA 86 3HB ALA 86 19.188 24.489 9.438 394 H ASP 87 HN ASP 87 17.914 26.926 8.634 395 HA ASP 87 HA ASP 87 16.733 25.864 6.240 396 HB2 ASP 87 2HB ASP 87 15.460 26.615 8.274 397 HB3 ASP 87 1HB ASP 87 15.824 28.281 7.829 398 H GLN 88 HN GLN 88 18.181 29.017 7.021 399 HA GLN 88 HA GLN 88 17.552 30.160 4.423 400 HB2 GLN 88 2HB GLN 88 17.946 31.541 6.465 401 HB3 GLN 88 1HB GLN 88 19.635 31.036 6.445 402 HG2 GLN 88 2HG GLN 88 19.770 31.954 4.082 403 HG3 GLN 88 1HG GLN 88 18.173 32.654 4.344 404 HE21 GLN 88 1HE2 GLN 88 18.412 34.835 4.853 405 HE22 GLN 88 2HE2 GLN 88 19.605 35.473 5.877 406 H ALA 89 HN ALA 89 20.328 28.490 5.845 407 HA ALA 89 HA ALA 89 22.040 28.972 3.533 408 HB1 ALA 89 1HB ALA 89 22.389 28.002 6.162 409 HB2 ALA 89 2HB ALA 89 23.637 28.235 4.938 410 HB3 ALA 89 3HB ALA 89 22.836 26.672 5.094 411 H VAL 90 HN VAL 90 20.068 26.255 4.721 412 HA VAL 90 HA VAL 90 20.831 24.410 2.664 413 HB VAL 90 HB VAL 90 18.320 24.611 4.348 414 HG11 VAL 90 1HG1 VAL 90 19.256 22.240 2.714 415 HG12 VAL 90 2HG1 VAL 90 18.036 23.377 2.142 416 HG13 VAL 90 3HG1 VAL 90 17.732 22.410 3.585 417 HG21 VAL 90 3HG2 VAL 90 20.984 23.788 4.894 418 HG22 VAL 90 1HG2 VAL 90 19.998 22.326 4.831 419 HG23 VAL 90 2HG2 VAL 90 19.573 23.630 5.939 420 H ALA 91 HN ALA 91 18.040 26.629 2.929 421 HA ALA 91 HA ALA 91 17.031 25.947 0.297 422 HB1 ALA 91 1HB ALA 91 15.459 27.742 0.635 423 HB2 ALA 91 2HB ALA 91 16.471 28.467 1.884 424 HB3 ALA 91 3HB ALA 91 15.661 26.930 2.189 425 H GLU 92 HN GLU 92 19.061 28.562 1.594 426 HA GLU 92 HA GLU 92 19.218 29.967 -0.942 427 HB2 GLU 92 2HB GLU 92 19.605 31.016 1.324 428 HB3 GLU 92 1HB GLU 92 21.135 30.145 1.397 429 HG2 GLU 92 2HG GLU 92 21.474 32.433 0.546 430 HG3 GLU 92 1HG GLU 92 21.850 31.243 -0.699 431 H LEU 93 HN LEU 93 21.504 27.883 0.863 432 HA LEU 93 HA LEU 93 23.504 27.880 -1.193 433 HG LEU 93 HG LEU 93 23.300 28.177 1.700 434 HB2 LEU 93 2HB LEU 93 22.941 25.770 0.914 435 HB3 LEU 93 1HB LEU 93 24.441 25.948 0.001 436 HD11 LEU 93 1HD1 LEU 93 23.835 26.026 2.989 437 HD12 LEU 93 2HD1 LEU 93 24.681 27.482 3.515 438 HD13 LEU 93 3HD1 LEU 93 25.514 26.289 2.520 439 HD21 LEU 93 3HD2 LEU 93 25.531 27.865 -0.109 440 HD22 LEU 93 1HD2 LEU 93 26.119 28.223 1.514 441 HD23 LEU 93 2HD2 LEU 93 24.982 29.317 0.728 442 H ASN 94 HN ASN 94 20.739 25.752 -0.532 443 HA ASN 94 HA ASN 94 21.375 23.823 -2.572 444 HB2 ASN 94 2HB ASN 94 19.761 23.448 -0.681 445 HB3 ASN 94 1HB ASN 94 18.636 24.534 -1.494 446 HD21 ASN 94 1HD2 ASN 94 17.533 22.124 -1.272 447 HD22 ASN 94 2HD2 ASN 94 17.660 21.198 -2.688 448 H GLY 95 HN GLY 95 21.113 23.982 -4.753 449 HA2 GLY 95 2HA GLY 95 19.874 24.639 -6.733 450 HA3 GLY 95 1HA GLY 95 19.183 25.980 -5.818 451 H THR 96 HN THR 96 22.553 25.470 -5.366 452 HA THR 96 HA THR 96 23.114 27.777 -7.188 453 HB THR 96 HB THR 96 24.760 28.547 -5.650 454 HG1 THR 96 1HG THR 96 25.523 27.290 -4.006 455 HG21 THR 96 3HG2 THR 96 23.052 29.352 -4.422 456 HG22 THR 96 1HG2 THR 96 23.250 27.951 -3.368 457 HG23 THR 96 2HG2 THR 96 22.093 27.896 -4.699 458 H GLN 97 HN GLN 97 25.278 27.747 -8.193 459 HA GLN 97 HA GLN 97 26.360 24.970 -8.458 460 HB2 GLN 97 2HB GLN 97 25.141 25.700 -10.495 461 HB3 GLN 97 1HB GLN 97 26.204 27.103 -10.610 462 HG2 GLN 97 2HG GLN 97 28.160 25.572 -10.774 463 HG3 GLN 97 1HG GLN 97 27.060 24.194 -10.736 464 HE21 GLN 97 1HE2 GLN 97 28.608 24.379 -13.004 465 HE22 GLN 97 2HE2 GLN 97 27.691 24.926 -14.324 466 H VAL 98 HN VAL 98 28.593 24.776 -8.346 467 HA VAL 98 HA VAL 98 30.058 27.107 -7.339 468 HB VAL 98 HB VAL 98 31.456 24.560 -8.039 469 HG11 VAL 98 1HG1 VAL 98 31.928 25.299 -5.395 470 HG12 VAL 98 2HG1 VAL 98 31.736 26.839 -6.235 471 HG13 VAL 98 3HG1 VAL 98 32.954 25.684 -6.775 472 HG21 VAL 98 3HG2 VAL 98 29.211 24.840 -6.061 473 HG22 VAL 98 1HG2 VAL 98 30.564 23.771 -5.693 474 HG23 VAL 98 2HG2 VAL 98 29.586 23.491 -7.134 475 H GLU 99 HN GLU 99 32.624 26.454 -8.495 476 HA GLU 99 HA GLU 99 32.548 28.061 -10.845 477 HB2 GLU 99 2HB GLU 99 34.649 26.053 -9.971 478 HB3 GLU 99 1HB GLU 99 34.880 27.303 -11.193 479 HG2 GLU 99 2HG GLU 99 34.093 27.855 -8.316 480 HG3 GLU 99 1HG GLU 99 35.743 27.961 -8.931 481 H SER 100 HN SER 100 32.511 24.537 -10.410 482 HA SER 100 HA SER 100 31.391 24.249 -13.114 483 HG SER 100 HG SER 100 33.500 22.166 -14.610 484 HB2 SER 100 2HB SER 100 33.635 24.097 -13.811 485 HB3 SER 100 1HB SER 100 34.127 23.243 -12.348 486 H VAL 101 HN VAL 101 30.761 23.684 -10.189 487 HA VAL 101 HA VAL 101 29.874 20.881 -10.638 488 HB VAL 101 HB VAL 101 31.187 21.860 -8.083 489 HG11 VAL 101 1HG1 VAL 101 29.601 20.250 -7.428 490 HG12 VAL 101 2HG1 VAL 101 31.062 19.290 -7.662 491 HG13 VAL 101 3HG1 VAL 101 29.811 19.309 -8.904 492 HG21 VAL 101 3HG2 VAL 101 32.652 21.382 -10.163 493 HG22 VAL 101 1HG2 VAL 101 32.189 19.695 -9.933 494 HG23 VAL 101 2HG2 VAL 101 33.069 20.550 -8.664 495 H GLN 102 HN GLN 102 27.990 20.324 -9.331 496 HA GLN 102 HA GLN 102 26.406 22.738 -8.625 497 HB2 GLN 102 2HB GLN 102 25.567 19.852 -9.042 498 HB3 GLN 102 1HB GLN 102 24.467 21.181 -8.677 499 HG2 GLN 102 2HG GLN 102 25.159 22.334 -10.739 500 HG3 GLN 102 1HG GLN 102 26.289 21.029 -11.099 501 HE21 GLN 102 1HE2 GLN 102 24.196 21.639 -12.927 502 HE22 GLN 102 2HE2 GLN 102 23.076 20.363 -12.926 503 H LEU 103 HN LEU 103 25.542 23.014 -6.551 504 HA LEU 103 HA LEU 103 26.717 21.245 -4.461 505 HG LEU 103 HG LEU 103 27.753 23.882 -5.341 506 HB2 LEU 103 2HB LEU 103 25.506 24.021 -4.295 507 HB3 LEU 103 1HB LEU 103 26.110 23.113 -2.910 508 HD11 LEU 103 1HD1 LEU 103 28.065 25.859 -4.310 509 HD12 LEU 103 2HD1 LEU 103 28.743 25.004 -2.925 510 HD13 LEU 103 3HD1 LEU 103 27.015 25.355 -2.985 511 HD21 LEU 103 3HD2 LEU 103 29.590 23.203 -3.578 512 HD22 LEU 103 1HD2 LEU 103 28.777 21.953 -4.520 513 HD23 LEU 103 2HD2 LEU 103 28.276 22.273 -2.860 514 H LYS 104 HN LYS 104 25.389 20.167 -2.993 515 HA LYS 104 HA LYS 104 22.443 20.514 -3.342 516 HB2 LYS 104 2HB LYS 104 23.931 17.881 -3.092 517 HB3 LYS 104 1HB LYS 104 22.178 18.063 -3.156 518 HG2 LYS 104 2HG LYS 104 22.403 19.139 -5.392 519 HG3 LYS 104 1HG LYS 104 24.143 18.855 -5.329 520 HD2 LYS 104 2HD LYS 104 23.129 17.057 -6.603 521 HD3 LYS 104 1HD LYS 104 23.663 16.401 -5.056 522 HE2 LYS 104 2HE LYS 104 20.998 17.431 -4.757 523 HE3 LYS 104 1HE LYS 104 21.039 16.355 -6.153 524 HZ1 LYS 104 3HZ LYS 104 22.534 15.067 -4.276 525 HZ2 LYS 104 1HZ LYS 104 20.927 14.709 -4.685 526 HZ3 LYS 104 2HZ LYS 104 21.261 15.733 -3.370 527 H VAL 105 HN VAL 105 21.345 20.640 -1.417 528 HA VAL 105 HA VAL 105 22.899 20.003 1.060 529 HB VAL 105 HB VAL 105 20.691 22.060 0.795 530 HG11 VAL 105 1HG1 VAL 105 22.800 22.145 2.895 531 HG12 VAL 105 2HG1 VAL 105 21.595 20.864 3.037 532 HG13 VAL 105 3HG1 VAL 105 21.087 22.553 3.003 533 HG21 VAL 105 3HG2 VAL 105 23.418 22.169 -0.113 534 HG22 VAL 105 1HG2 VAL 105 23.218 23.274 1.247 535 HG23 VAL 105 2HG2 VAL 105 22.188 23.431 -0.177 536 H ASN 106 HN ASN 106 21.922 18.646 2.522 537 HA ASN 106 HA ASN 106 19.032 18.018 2.124 538 HB2 ASN 106 2HB ASN 106 21.244 15.986 2.543 539 HB3 ASN 106 1HB ASN 106 19.522 15.621 2.458 540 HD21 ASN 106 1HD2 ASN 106 19.013 17.612 0.304 541 HD22 ASN 106 2HD2 ASN 106 19.695 16.959 -1.103 542 H ILE 107 HN ILE 107 18.453 16.424 4.137 543 HA ILE 107 HA ILE 107 19.459 17.877 6.546 544 HB ILE 107 HB ILE 107 16.880 16.323 6.183 545 HG12 ILE 107 1HG1 ILE 107 17.444 19.299 6.212 546 HG13 ILE 107 2HG1 ILE 107 16.879 18.360 4.832 547 HG21 ILE 107 1HG2 ILE 107 17.489 16.295 8.494 548 HG22 ILE 107 2HG2 ILE 107 16.314 17.598 8.325 549 HG23 ILE 107 3HG2 ILE 107 18.033 17.972 8.441 550 HD11 ILE 107 3HD1 ILE 107 15.350 18.494 7.439 551 HD12 ILE 107 1HD1 ILE 107 14.773 17.922 5.874 552 HD13 ILE 107 2HD1 ILE 107 15.082 19.640 6.126 553 H ALA 108 HN ALA 108 20.481 16.713 8.130 554 HA ALA 108 HA ALA 108 20.588 13.747 7.764 555 HB1 ALA 108 1HB ALA 108 22.609 15.534 9.149 556 HB2 ALA 108 2HB ALA 108 22.755 14.977 7.483 557 HB3 ALA 108 3HB ALA 108 22.786 13.814 8.808 558 H ARG 109 HN ARG 109 20.783 12.499 9.819 559 HA ARG 109 HA ARG 109 18.737 12.946 11.639 560 HE ARG 109 HE ARG 109 19.705 9.435 16.091 561 HB2 ARG 109 2HB ARG 109 20.223 10.888 11.465 562 HB3 ARG 109 1HB ARG 109 21.403 11.758 12.444 563 HG2 ARG 109 2HG ARG 109 19.670 12.062 14.207 564 HG3 ARG 109 1HG ARG 109 18.547 11.107 13.238 565 HD2 ARG 109 2HD ARG 109 20.217 9.223 13.294 566 HD3 ARG 109 1HD ARG 109 21.179 10.177 14.423 567 HH11 ARG 109 1HH1 ARG 109 18.351 8.817 13.026 568 HH12 ARG 109 2HH1 ARG 109 16.737 8.595 13.615 569 HH21 ARG 109 1HH2 ARG 109 17.521 9.482 16.875 570 HH22 ARG 109 2HH2 ARG 109 16.268 8.971 15.794 571 H LYS 110 HN LYS 110 18.540 14.054 13.616 572 HA LYS 110 HA LYS 110 20.055 16.471 13.902 573 HB2 LYS 110 2HB LYS 110 18.303 15.051 15.932 574 HB3 LYS 110 1HB LYS 110 18.844 16.726 16.038 575 HG2 LYS 110 2HG LYS 110 17.703 17.197 13.872 576 HG3 LYS 110 1HG LYS 110 17.098 15.542 13.859 577 HD2 LYS 110 2HD LYS 110 15.995 15.982 16.064 578 HD3 LYS 110 1HD LYS 110 16.506 17.666 15.942 579 HE2 LYS 110 2HE LYS 110 15.329 17.621 13.622 580 HE3 LYS 110 1HE LYS 110 14.532 16.167 14.224 581 HZ1 LYS 110 3HZ LYS 110 13.088 17.758 14.935 582 HZ2 LYS 110 1HZ LYS 110 14.289 18.939 15.140 583 HZ3 LYS 110 2HZ LYS 110 14.116 17.697 16.287 584 H GLN 111 HN GLN 111 21.617 17.022 15.514 585 HA GLN 111 HA GLN 111 23.482 14.906 16.143 586 HB2 GLN 111 2HB GLN 111 24.665 16.701 17.428 587 HB3 GLN 111 1HB GLN 111 24.302 17.158 15.765 588 HG2 GLN 111 2HG GLN 111 22.024 17.952 17.089 589 HG3 GLN 111 1HG GLN 111 23.276 18.292 18.282 590 HE21 GLN 111 1HE2 GLN 111 22.290 18.967 14.912 591 HE22 GLN 111 2HE2 GLN 111 23.196 20.393 14.759 592 HA PRO 112 HA PRO 112 21.863 13.546 20.033 593 HB2 PRO 112 2HB PRO 112 24.113 12.615 21.187 594 HB3 PRO 112 1HB PRO 112 23.308 11.790 19.851 595 HG2 PRO 112 2HG PRO 112 25.727 13.540 19.820 596 HG3 PRO 112 1HG PRO 112 25.411 12.060 18.912 597 HD2 PRO 112 1HD PRO 112 25.180 14.567 17.844 598 HD3 PRO 112 2HD PRO 112 24.269 13.173 17.263 599 H MET 113 HN MET 113 24.496 15.886 20.006 600 HA MET 113 HA MET 113 24.765 16.364 22.774 601 HB2 MET 113 2HB MET 113 24.777 18.492 20.617 602 HB3 MET 113 1HB MET 113 25.560 18.582 22.192 603 HG2 MET 113 2HG MET 113 27.248 17.110 21.596 604 HG3 MET 113 1HG MET 113 26.254 16.290 20.393 605 HE1 MET 113 3HE MET 113 25.953 18.183 17.485 606 HE2 MET 113 1HE MET 113 25.377 19.475 18.548 607 HE3 MET 113 2HE MET 113 24.966 17.796 18.894 608 H LEU 114 HN LEU 114 22.129 17.115 20.632 609 HA LEU 114 HA LEU 114 20.356 17.742 22.797 610 HG LEU 114 HG LEU 114 18.940 19.547 22.823 611 HB2 LEU 114 2HB LEU 114 21.722 19.834 22.801 612 HB3 LEU 114 1HB LEU 114 21.240 20.110 21.128 613 HD11 LEU 114 1HD1 LEU 114 20.831 21.772 23.591 614 HD12 LEU 114 2HD1 LEU 114 20.064 20.579 24.638 615 HD13 LEU 114 3HD1 LEU 114 19.103 21.874 23.925 616 HD21 LEU 114 3HD2 LEU 114 18.849 22.166 21.798 617 HD22 LEU 114 1HD2 LEU 114 18.137 20.724 21.075 618 HD23 LEU 114 2HD2 LEU 114 19.760 21.233 20.610 619 H ASP 115 HN ASP 115 20.540 16.232 20.230 620 HA ASP 115 HA ASP 115 19.222 15.803 18.325 621 HB2 ASP 115 2HB ASP 115 17.155 17.054 20.165 622 HB3 ASP 115 1HB ASP 115 16.785 16.120 18.715 623 H ALA 116 HN ALA 116 20.669 18.292 18.319 624 HA ALA 116 HA ALA 116 20.806 20.119 16.842 625 HB1 ALA 116 1HB ALA 116 19.625 19.793 14.962 626 HB2 ALA 116 2HB ALA 116 18.143 20.252 15.799 627 HB3 ALA 116 3HB ALA 116 18.665 18.567 15.786 628 H ALA 117 HN ALA 117 17.311 20.337 17.442 629 HA ALA 117 HA ALA 117 17.603 22.156 19.673 630 HB1 ALA 117 1HB ALA 117 17.271 24.224 18.669 631 HB2 ALA 117 2HB ALA 117 16.518 23.523 17.238 632 HB3 ALA 117 3HB ALA 117 18.267 23.432 17.448 633 H THR 118 HN THR 118 15.235 23.591 19.431 634 HA THR 118 HA THR 118 13.195 21.431 19.074 635 HB THR 118 HB THR 118 12.036 22.197 21.022 636 HG1 THR 118 1HG THR 118 13.841 24.369 20.866 637 HG21 THR 118 3HG2 THR 118 14.352 22.504 22.547 638 HG22 THR 118 1HG2 THR 118 14.872 21.552 21.155 639 HG23 THR 118 2HG2 THR 118 13.548 20.981 22.169 640 H GLY 119 HN GLY 119 11.049 22.222 18.463 641 HA2 GLY 119 1HA GLY 119 10.483 24.954 17.864 642 HA3 GLY 119 2HA GLY 119 11.088 24.173 16.403 643 H LYS 120 HN LYS 120 8.714 24.830 15.834 644 HA LYS 120 HA LYS 120 6.487 23.441 16.912 645 HB2 LYS 120 2HB LYS 120 6.334 25.355 15.317 646 HB3 LYS 120 1HB LYS 120 6.897 24.290 14.029 647 HG2 LYS 120 2HG LYS 120 4.506 24.303 13.883 648 HG3 LYS 120 1HG LYS 120 4.943 22.760 14.616 649 HD2 LYS 120 2HD LYS 120 4.476 23.656 16.847 650 HD3 LYS 120 1HD LYS 120 4.116 25.239 16.156 651 HE2 LYS 120 2HE LYS 120 1.993 24.605 15.765 652 HE3 LYS 120 1HE LYS 120 2.561 23.257 14.780 653 HZ1 LYS 120 3HZ LYS 120 2.415 23.201 17.743 654 HZ2 LYS 120 1HZ LYS 120 2.758 21.899 16.711 655 HZ3 LYS 120 2HZ LYS 120 1.204 22.587 16.721 656 H SER 121 HN SER 121 8.845 22.486 14.449 657 HA SER 121 HA SER 121 7.685 19.733 14.572 658 HG SER 121 HG SER 121 9.833 20.648 11.660 659 HB2 SER 121 2HB SER 121 8.185 19.435 12.206 660 HB3 SER 121 1HB SER 121 7.169 20.864 12.400 Start of MODEL 7 1 H ALA 35 HN ALA 35 24.355 19.231 25.347 2 HA ALA 35 HA ALA 35 25.589 21.606 26.553 3 HB1 ALA 35 1HB ALA 35 25.351 22.393 23.874 4 HB2 ALA 35 2HB ALA 35 26.149 20.821 23.808 5 HB3 ALA 35 3HB ALA 35 26.855 22.129 24.759 6 HA PRO 36 HA PRO 36 21.231 22.590 26.510 7 HB2 PRO 36 2HB PRO 36 21.444 25.129 27.413 8 HB3 PRO 36 1HB PRO 36 21.618 23.718 28.462 9 HG2 PRO 36 2HG PRO 36 23.737 25.426 27.211 10 HG3 PRO 36 1HG PRO 36 23.655 24.782 28.853 11 HD2 PRO 36 2HD PRO 36 25.184 23.642 26.935 12 HD3 PRO 36 1HD PRO 36 24.418 22.697 28.212 13 H ARG 37 HN ARG 37 23.676 24.539 24.880 14 HA ARG 37 HA ARG 37 21.927 26.319 23.497 15 HE ARG 37 HE ARG 37 25.998 28.563 25.223 16 HB2 ARG 37 2HB ARG 37 24.626 25.193 22.695 17 HB3 ARG 37 1HB ARG 37 23.812 26.514 21.853 18 HG2 ARG 37 2HG ARG 37 23.748 27.774 24.024 19 HG3 ARG 37 1HG ARG 37 24.716 26.491 24.748 20 HD2 ARG 37 2HD ARG 37 26.408 26.896 22.879 21 HD3 ARG 37 1HD ARG 37 25.498 28.360 22.500 22 HH11 ARG 37 1HH1 ARG 37 27.195 30.524 23.388 23 HH12 ARG 37 2HH1 ARG 37 28.894 30.234 23.553 24 HH21 ARG 37 1HH2 ARG 37 28.488 27.112 25.009 25 HH22 ARG 37 2HH2 ARG 37 29.626 28.302 24.471 26 H LYS 38 HN LYS 38 21.006 26.162 21.394 27 HA LYS 38 HA LYS 38 20.198 23.458 20.642 28 HB2 LYS 38 2HB LYS 38 19.687 26.107 19.255 29 HB3 LYS 38 1HB LYS 38 18.864 24.586 18.911 30 HG2 LYS 38 2HG LYS 38 18.126 24.547 21.331 31 HG3 LYS 38 1HG LYS 38 18.768 26.183 21.484 32 HD2 LYS 38 2HD LYS 38 17.281 26.903 19.616 33 HD3 LYS 38 1HD LYS 38 16.594 25.280 19.569 34 HE2 LYS 38 2HE LYS 38 15.189 26.822 20.909 35 HE3 LYS 38 1HE LYS 38 15.844 25.518 21.901 36 HZ1 LYS 38 3HZ LYS 38 16.944 26.968 23.143 37 HZ2 LYS 38 1HZ LYS 38 16.098 28.212 22.358 38 HZ3 LYS 38 2HZ LYS 38 17.625 27.733 21.786 39 H GLY 39 HN GLY 39 20.136 23.560 17.869 40 HA2 GLY 39 1HA GLY 39 22.461 24.376 16.520 41 HA3 GLY 39 2HA GLY 39 22.825 22.793 17.198 42 H ASN 40 HN ASN 40 22.910 22.622 14.593 43 HA ASN 40 HA ASN 40 20.688 20.935 13.869 44 HB2 ASN 40 2HB ASN 40 19.742 23.306 13.596 45 HB3 ASN 40 1HB ASN 40 20.865 23.480 12.246 46 HD21 ASN 40 1HD2 ASN 40 18.989 23.573 10.747 47 HD22 ASN 40 2HD2 ASN 40 18.154 22.154 10.334 48 H THR 41 HN THR 41 21.865 19.389 12.837 49 HA THR 41 HA THR 41 24.301 20.074 11.370 50 HB THR 41 HB THR 41 22.847 17.422 11.595 51 HG1 THR 41 1HG THR 41 25.014 18.527 13.053 52 HG21 THR 41 3HG2 THR 41 25.518 16.909 11.240 53 HG22 THR 41 1HG2 THR 41 25.289 18.332 10.224 54 HG23 THR 41 2HG2 THR 41 24.316 16.888 9.949 55 H LEU 42 HN LEU 42 24.617 19.655 9.094 56 HA LEU 42 HA LEU 42 22.094 19.455 7.505 57 HG LEU 42 HG LEU 42 21.768 21.619 8.292 58 HB2 LEU 42 2HB LEU 42 24.421 21.333 6.977 59 HB3 LEU 42 1HB LEU 42 23.007 21.139 5.940 60 HD11 LEU 42 1HD1 LEU 42 23.277 23.719 9.061 61 HD12 LEU 42 2HD1 LEU 42 24.557 22.630 8.528 62 HD13 LEU 42 3HD1 LEU 42 23.435 22.121 9.790 63 HD21 LEU 42 3HD2 LEU 42 21.054 23.453 7.169 64 HD22 LEU 42 1HD2 LEU 42 22.150 22.942 5.885 65 HD23 LEU 42 2HD2 LEU 42 22.681 24.127 7.078 66 H TYR 43 HN TYR 43 22.421 18.542 5.353 67 HA TYR 43 HA TYR 43 24.934 16.926 5.185 68 HD1 TYR 43 HD1 TYR 43 22.907 16.112 1.797 69 HD2 TYR 43 HD2 TYR 43 24.707 13.868 4.987 70 HE1 TYR 43 HE1 TYR 43 23.939 14.583 0.139 71 HE2 TYR 43 HE2 TYR 43 25.740 12.340 3.330 72 HH TYR 43 HH TYR 43 24.777 12.131 0.174 73 HB2 TYR 43 2HB TYR 43 22.986 15.500 5.447 74 HB3 TYR 43 1HB TYR 43 22.145 16.342 4.147 75 H VAL 44 HN VAL 44 26.269 17.942 3.753 76 HA VAL 44 HA VAL 44 25.054 19.155 1.313 77 HB VAL 44 HB VAL 44 27.854 19.511 2.427 78 HG11 VAL 44 1HG1 VAL 44 26.393 20.459 0.029 79 HG12 VAL 44 2HG1 VAL 44 28.126 20.252 0.283 80 HG13 VAL 44 3HG1 VAL 44 27.312 21.691 0.895 81 HG21 VAL 44 3HG2 VAL 44 27.123 21.503 3.459 82 HG22 VAL 44 1HG2 VAL 44 25.836 20.355 3.824 83 HG23 VAL 44 2HG2 VAL 44 25.623 21.537 2.534 84 H TYR 45 HN TYR 45 25.811 18.526 -0.748 85 HA TYR 45 HA TYR 45 27.763 16.272 -0.813 86 HD1 TYR 45 HD1 TYR 45 27.056 13.445 -1.139 87 HD2 TYR 45 HD2 TYR 45 26.116 15.956 -4.495 88 HE1 TYR 45 HE1 TYR 45 28.072 11.779 -2.670 89 HE2 TYR 45 HE2 TYR 45 27.132 14.290 -6.026 90 HH TYR 45 HH TYR 45 27.989 12.234 -6.196 91 HB2 TYR 45 2HB TYR 45 25.487 15.316 -0.928 92 HB3 TYR 45 1HB TYR 45 25.121 16.358 -2.304 93 H GLY 46 HN GLY 46 29.150 16.341 -2.584 94 HA2 GLY 46 1HA GLY 46 28.691 17.622 -5.055 95 HA3 GLY 46 2HA GLY 46 29.425 18.823 -3.994 96 H GLU 47 HN GLU 47 31.213 18.653 -5.656 97 HA GLU 47 HA GLU 47 32.966 16.294 -5.089 98 HB2 GLU 47 2HB GLU 47 33.003 18.116 -7.514 99 HB3 GLU 47 1HB GLU 47 33.987 16.672 -7.276 100 HG2 GLU 47 2HG GLU 47 31.942 15.292 -7.185 101 HG3 GLU 47 1HG GLU 47 30.956 16.735 -7.422 102 H ASP 48 HN ASP 48 35.284 16.769 -4.931 103 HA ASP 48 HA ASP 48 36.987 17.972 -3.828 104 HB2 ASP 48 2HB ASP 48 36.990 18.884 -6.179 105 HB3 ASP 48 1HB ASP 48 35.964 20.201 -5.608 106 H MET 49 HN MET 49 34.680 17.909 -2.265 107 HA MET 49 HA MET 49 34.007 20.633 -1.422 108 HB2 MET 49 2HB MET 49 33.388 18.090 0.084 109 HB3 MET 49 1HB MET 49 32.500 19.613 0.107 110 HG2 MET 49 2HG MET 49 31.701 19.284 -2.126 111 HG3 MET 49 1HG MET 49 32.815 17.944 -2.398 112 HE1 MET 49 3HE MET 49 29.920 18.035 0.990 113 HE2 MET 49 1HE MET 49 29.093 18.666 -0.441 114 HE3 MET 49 2HE MET 49 30.618 19.375 0.084 115 H THR 50 HN THR 50 34.985 21.748 0.225 116 HA THR 50 HA THR 50 36.943 20.248 1.920 117 HB THR 50 HB THR 50 37.925 22.812 1.877 118 HG1 THR 50 1HG THR 50 37.799 23.535 -0.205 119 HG21 THR 50 3HG2 THR 50 38.569 20.223 0.661 120 HG22 THR 50 1HG2 THR 50 39.622 21.365 1.497 121 HG23 THR 50 2HG2 THR 50 39.256 21.591 -0.213 122 HA PRO 51 HA PRO 51 34.978 22.041 5.459 123 HB2 PRO 51 2HB PRO 51 37.068 22.591 7.081 124 HB3 PRO 51 1HB PRO 51 36.509 20.948 6.762 125 HG2 PRO 51 2HG PRO 51 38.810 22.436 5.559 126 HG3 PRO 51 1HG PRO 51 38.733 20.757 6.102 127 HD2 PRO 51 1HD PRO 51 38.538 21.449 3.488 128 HD3 PRO 51 2HD PRO 51 37.712 20.042 4.159 129 H THR 52 HN THR 52 37.966 23.898 4.752 130 HA THR 52 HA THR 52 37.099 26.350 5.859 131 HB THR 52 HB THR 52 38.855 26.030 3.406 132 HG1 THR 52 1HG THR 52 39.598 26.055 6.139 133 HG21 THR 52 3HG2 THR 52 39.878 28.115 4.238 134 HG22 THR 52 1HG2 THR 52 38.728 28.145 5.574 135 HG23 THR 52 2HG2 THR 52 38.159 28.338 3.916 136 H LEU 53 HN LEU 53 36.799 25.168 2.497 137 HA LEU 53 HA LEU 53 35.467 27.432 1.435 138 HG LEU 53 HG LEU 53 33.520 26.509 -0.241 139 HB2 LEU 53 2HB LEU 53 36.328 25.460 0.117 140 HB3 LEU 53 1HB LEU 53 34.929 24.545 0.681 141 HD11 LEU 53 1HD1 LEU 53 35.973 27.665 -0.610 142 HD12 LEU 53 2HD1 LEU 53 34.517 28.131 -1.491 143 HD13 LEU 53 3HD1 LEU 53 35.662 27.001 -2.214 144 HD21 LEU 53 3HD2 LEU 53 33.730 24.222 -1.263 145 HD22 LEU 53 1HD2 LEU 53 35.073 24.831 -2.231 146 HD23 LEU 53 2HD2 LEU 53 33.455 25.499 -2.447 147 H LEU 54 HN LEU 54 34.013 24.426 2.744 148 HA LEU 54 HA LEU 54 31.315 25.184 2.581 149 HG LEU 54 HG LEU 54 32.726 22.928 2.213 150 HB2 LEU 54 2HB LEU 54 32.685 23.600 4.777 151 HB3 LEU 54 1HB LEU 54 30.943 23.655 4.508 152 HD11 LEU 54 1HD1 LEU 54 33.447 21.570 4.220 153 HD12 LEU 54 2HD1 LEU 54 32.803 20.610 2.887 154 HD13 LEU 54 3HD1 LEU 54 31.803 20.937 4.304 155 HD21 LEU 54 3HD2 LEU 54 30.581 22.876 1.429 156 HD22 LEU 54 1HD2 LEU 54 29.892 22.668 3.040 157 HD23 LEU 54 2HD2 LEU 54 30.560 21.281 2.181 158 H ARG 55 HN ARG 55 33.530 25.694 5.352 159 HA ARG 55 HA ARG 55 31.871 27.072 7.088 160 HE ARG 55 HE ARG 55 35.905 24.464 8.925 161 HB2 ARG 55 2HB ARG 55 34.757 27.625 6.361 162 HB3 ARG 55 1HB ARG 55 33.934 28.453 7.681 163 HG2 ARG 55 2HG ARG 55 33.407 26.243 8.700 164 HG3 ARG 55 1HG ARG 55 34.315 25.456 7.410 165 HD2 ARG 55 2HD ARG 55 36.297 26.911 8.103 166 HD3 ARG 55 1HD ARG 55 35.365 27.330 9.541 167 HH11 ARG 55 1HH1 ARG 55 34.561 25.536 11.461 168 HH12 ARG 55 2HH1 ARG 55 35.871 25.439 12.590 169 HH21 ARG 55 1HH2 ARG 55 38.302 25.074 10.144 170 HH22 ARG 55 2HH2 ARG 55 37.989 25.177 11.844 171 H GLY 56 HN GLY 56 33.441 28.359 4.171 172 HA2 GLY 56 2HA GLY 56 32.481 31.060 4.550 173 HA3 GLY 56 1HA GLY 56 33.110 30.395 3.041 174 H ALA 57 HN ALA 57 31.202 28.172 2.979 175 HA ALA 57 HA ALA 57 28.967 29.606 1.755 176 HB1 ALA 57 1HB ALA 57 28.168 27.048 1.634 177 HB2 ALA 57 2HB ALA 57 29.884 26.773 1.934 178 HB3 ALA 57 3HB ALA 57 29.373 27.700 0.524 179 H PHE 58 HN PHE 58 29.676 28.321 4.852 180 HA PHE 58 HA PHE 58 26.786 28.563 5.596 181 HD1 PHE 58 HD1 PHE 58 29.216 25.670 4.471 182 HD2 PHE 58 HD2 PHE 58 25.299 26.011 6.200 183 HE1 PHE 58 HE1 PHE 58 28.334 24.076 2.788 184 HE2 PHE 58 HE2 PHE 58 24.417 24.417 4.517 185 HZ PHE 58 HZ PHE 58 25.934 23.449 2.811 186 HB2 PHE 58 2HB PHE 58 28.875 26.659 6.704 187 HB3 PHE 58 1HB PHE 58 27.253 26.858 7.366 188 H SER 59 HN SER 59 29.513 30.215 5.744 189 HA SER 59 HA SER 59 29.785 30.706 8.599 190 HG SER 59 HG SER 59 31.813 30.380 8.163 191 HB2 SER 59 2HB SER 59 31.100 31.559 6.134 192 HB3 SER 59 1HB SER 59 30.907 32.885 7.282 193 HA PRO 60 HA PRO 60 27.498 34.843 7.481 194 HB2 PRO 60 2HB PRO 60 26.257 34.978 5.088 195 HB3 PRO 60 1HB PRO 60 27.930 35.483 5.334 196 HG2 PRO 60 2HG PRO 60 26.862 32.931 4.196 197 HG3 PRO 60 1HG PRO 60 28.227 33.908 3.649 198 HD2 PRO 60 2HD PRO 60 28.541 31.651 5.117 199 HD3 PRO 60 1HD PRO 60 29.663 33.007 5.213 200 H PHE 61 HN PHE 61 26.056 31.890 6.110 201 HA PHE 61 HA PHE 61 23.329 32.578 6.543 202 HD1 PHE 61 HD1 PHE 61 21.680 31.186 4.864 203 HD2 PHE 61 HD2 PHE 61 25.839 30.208 4.421 204 HE1 PHE 61 HE1 PHE 61 21.479 31.441 2.405 205 HE2 PHE 61 HE2 PHE 61 25.638 30.463 1.963 206 HZ PHE 61 HZ PHE 61 23.457 31.079 0.955 207 HB2 PHE 61 2HB PHE 61 24.755 29.911 6.524 208 HB3 PHE 61 1HB PHE 61 23.005 30.052 6.685 209 H GLY 62 HN GLY 62 25.788 31.299 8.733 210 HA2 GLY 62 1HA GLY 62 24.564 32.289 11.077 211 HA3 GLY 62 2HA GLY 62 24.023 30.621 10.888 212 H ASN 63 HN ASN 63 25.442 30.914 13.088 213 HA ASN 63 HA ASN 63 28.321 30.569 12.565 214 HB2 ASN 63 2HB ASN 63 27.415 31.828 14.567 215 HB3 ASN 63 1HB ASN 63 26.845 30.283 15.197 216 HD21 ASN 63 1HD2 ASN 63 28.438 30.723 17.021 217 HD22 ASN 63 2HD2 ASN 63 30.072 30.327 16.782 218 H ILE 64 HN ILE 64 29.437 28.613 12.835 219 HA ILE 64 HA ILE 64 27.693 26.192 12.952 220 HB ILE 64 HB ILE 64 30.529 26.469 11.909 221 HG12 ILE 64 2HG1 ILE 64 27.966 26.150 10.328 222 HG13 ILE 64 1HG1 ILE 64 28.719 27.715 10.628 223 HG21 ILE 64 1HG2 ILE 64 28.609 24.238 11.294 224 HG22 ILE 64 2HG2 ILE 64 29.543 24.200 12.789 225 HG23 ILE 64 3HG2 ILE 64 30.371 24.234 11.232 226 HD11 ILE 64 3HD1 ILE 64 29.737 27.195 8.621 227 HD12 ILE 64 1HD1 ILE 64 29.652 25.458 8.908 228 HD13 ILE 64 2HD1 ILE 64 30.879 26.426 9.723 229 H ILE 65 HN ILE 65 27.971 24.745 14.611 230 HA ILE 65 HA ILE 65 30.055 25.415 16.630 231 HB ILE 65 HB ILE 65 28.701 24.160 18.207 232 HG12 ILE 65 2HG1 ILE 65 26.876 23.516 15.873 233 HG13 ILE 65 1HG1 ILE 65 28.043 22.382 16.553 234 HG21 ILE 65 1HG2 ILE 65 27.954 26.429 17.878 235 HG22 ILE 65 2HG2 ILE 65 26.515 25.414 17.965 236 HG23 ILE 65 3HG2 ILE 65 27.096 25.989 16.402 237 HD11 ILE 65 3HD1 ILE 65 26.582 23.457 18.736 238 HD12 ILE 65 1HD1 ILE 65 26.526 21.808 18.114 239 HD13 ILE 65 2HD1 ILE 65 25.401 23.021 17.501 240 H ASP 66 HN ASP 66 29.052 22.930 14.390 241 HA ASP 66 HA ASP 66 31.497 21.402 15.106 242 HB2 ASP 66 2HB ASP 66 29.480 20.405 16.279 243 HB3 ASP 66 1HB ASP 66 28.821 20.049 14.682 244 H LEU 67 HN LEU 67 32.622 21.309 13.229 245 HA LEU 67 HA LEU 67 31.095 21.175 10.668 246 HG LEU 67 HG LEU 67 33.469 20.723 9.041 247 HB2 LEU 67 2HB LEU 67 32.644 23.047 10.780 248 HB3 LEU 67 1HB LEU 67 33.961 21.975 11.253 249 HD11 LEU 67 1HD1 LEU 67 32.535 22.338 7.299 250 HD12 LEU 67 2HD1 LEU 67 31.968 23.320 8.650 251 HD13 LEU 67 3HD1 LEU 67 31.361 21.678 8.437 252 HD21 LEU 67 3HD2 LEU 67 35.167 22.834 9.711 253 HD22 LEU 67 1HD2 LEU 67 34.448 23.333 8.179 254 HD23 LEU 67 2HD2 LEU 67 35.309 21.798 8.291 255 H SER 68 HN SER 68 30.919 19.138 9.871 256 HA SER 68 HA SER 68 33.247 17.294 10.248 257 HG SER 68 HG SER 68 30.620 16.247 12.360 258 HB2 SER 68 2HB SER 68 30.283 16.655 10.277 259 HB3 SER 68 1HB SER 68 31.554 15.434 10.224 260 H MET 69 HN MET 69 33.792 16.011 8.432 261 HA MET 69 HA MET 69 32.253 16.579 5.935 262 HB2 MET 69 2HB MET 69 35.268 16.580 6.270 263 HB3 MET 69 1HB MET 69 34.431 16.678 4.720 264 HG2 MET 69 2HG MET 69 33.211 18.716 5.671 265 HG3 MET 69 1HG MET 69 34.384 18.681 6.988 266 HE1 MET 69 3HE MET 69 34.847 19.621 2.603 267 HE2 MET 69 1HE MET 69 33.634 18.637 3.433 268 HE3 MET 69 2HE MET 69 35.169 17.924 2.947 269 H ASP 70 HN ASP 70 32.301 14.861 4.383 270 HA ASP 70 HA ASP 70 33.426 12.287 5.414 271 HB2 ASP 70 2HB ASP 70 30.712 12.914 5.099 272 HB3 ASP 70 1HB ASP 70 31.112 11.941 3.684 273 HA PRO 71 HA PRO 71 35.308 12.827 1.317 274 HB2 PRO 71 2HB PRO 71 37.406 11.195 1.781 275 HB3 PRO 71 1HB PRO 71 37.347 12.879 2.302 276 HG2 PRO 71 2HG PRO 71 36.958 10.392 3.881 277 HG3 PRO 71 1HG PRO 71 37.689 11.921 4.363 278 HD2 PRO 71 2HD PRO 71 35.124 11.134 5.031 279 HD3 PRO 71 1HD PRO 71 35.693 12.802 5.022 280 HA PRO 72 HA PRO 72 34.881 8.042 0.606 281 HB2 PRO 72 2HB PRO 72 33.205 6.715 2.245 282 HB3 PRO 72 1HB PRO 72 34.935 6.860 2.558 283 HG2 PRO 72 2HG PRO 72 32.655 8.347 3.769 284 HG3 PRO 72 1HG PRO 72 34.139 7.769 4.528 285 HD2 PRO 72 1HD PRO 72 33.715 10.366 3.776 286 HD3 PRO 72 2HD PRO 72 35.309 9.638 3.933 287 H ARG 73 HN ARG 73 32.219 10.025 1.766 288 HA ARG 73 HA ARG 73 30.495 8.847 -0.377 289 HE ARG 73 HE ARG 73 28.621 6.880 4.842 290 HB2 ARG 73 2HB ARG 73 29.698 10.317 2.156 291 HB3 ARG 73 1HB ARG 73 28.576 9.711 0.937 292 HG2 ARG 73 2HG ARG 73 29.462 7.411 1.316 293 HG3 ARG 73 1HG ARG 73 30.491 8.046 2.600 294 HD2 ARG 73 2HD ARG 73 28.396 8.925 3.715 295 HD3 ARG 73 1HD ARG 73 27.462 8.031 2.515 296 HH11 ARG 73 1HH1 ARG 73 27.352 6.214 1.789 297 HH12 ARG 73 2HH1 ARG 73 27.919 4.579 1.723 298 HH21 ARG 73 1HH2 ARG 73 29.807 4.837 4.621 299 HH22 ARG 73 2HH2 ARG 73 29.310 3.800 3.327 300 H ASN 74 HN ASN 74 32.466 11.409 0.147 301 HA ASN 74 HA ASN 74 32.623 13.542 -0.819 302 HB2 ASN 74 2HB ASN 74 30.470 12.409 -2.632 303 HB3 ASN 74 1HB ASN 74 31.421 13.858 -2.955 304 HD21 ASN 74 1HD2 ASN 74 31.300 11.011 -4.256 305 HD22 ASN 74 2HD2 ASN 74 32.936 10.571 -4.366 306 H CYS 75 HN CYS 75 30.893 13.250 1.452 307 HA CYS 75 HA CYS 75 28.980 15.460 0.859 308 HG CYS 75 HG CYS 75 27.838 11.904 3.149 309 HB2 CYS 75 2HB CYS 75 27.286 14.394 2.278 310 HB3 CYS 75 1HB CYS 75 27.729 13.314 0.957 311 H ALA 76 HN ALA 76 29.065 17.081 2.367 312 HA ALA 76 HA ALA 76 30.785 16.595 4.759 313 HB1 ALA 76 1HB ALA 76 31.016 19.078 4.813 314 HB2 ALA 76 2HB ALA 76 30.017 19.178 3.363 315 HB3 ALA 76 3HB ALA 76 31.591 18.385 3.297 316 H PHE 77 HN PHE 77 30.082 17.720 6.776 317 HA PHE 77 HA PHE 77 27.106 18.002 6.896 318 HD1 PHE 77 HD1 PHE 77 29.736 15.034 7.370 319 HD2 PHE 77 HD2 PHE 77 25.543 15.739 7.981 320 HE1 PHE 77 HE1 PHE 77 29.210 12.902 6.217 321 HE2 PHE 77 HE2 PHE 77 25.017 13.607 6.827 322 HZ PHE 77 HZ PHE 77 26.851 12.188 5.946 323 HB2 PHE 77 2HB PHE 77 28.953 16.736 8.944 324 HB3 PHE 77 1HB PHE 77 27.231 17.030 9.188 325 H VAL 78 HN VAL 78 26.454 19.935 7.720 326 HA VAL 78 HA VAL 78 28.463 21.530 9.263 327 HB VAL 78 HB VAL 78 26.186 22.642 7.611 328 HG11 VAL 78 1HG1 VAL 78 28.119 24.547 7.739 329 HG12 VAL 78 2HG1 VAL 78 28.380 23.730 9.280 330 HG13 VAL 78 3HG1 VAL 78 26.803 24.423 8.906 331 HG21 VAL 78 3HG2 VAL 78 29.083 22.165 6.864 332 HG22 VAL 78 1HG2 VAL 78 27.989 23.203 5.949 333 HG23 VAL 78 2HG2 VAL 78 27.660 21.476 6.083 334 H THR 79 HN THR 79 27.762 22.441 11.194 335 HA THR 79 HA THR 79 24.997 21.680 12.035 336 HB THR 79 HB THR 79 27.099 22.407 14.028 337 HG1 THR 79 1HG THR 79 26.935 19.873 12.774 338 HG21 THR 79 3HG2 THR 79 25.868 20.983 15.435 339 HG22 THR 79 1HG2 THR 79 25.183 20.086 14.080 340 HG23 THR 79 2HG2 THR 79 24.620 21.719 14.429 341 H TYR 80 HN TYR 80 23.614 23.340 12.450 342 HA TYR 80 HA TYR 80 24.783 26.077 12.732 343 HD1 TYR 80 HD1 TYR 80 24.895 27.720 11.811 344 HD2 TYR 80 HD2 TYR 80 22.524 25.422 9.067 345 HE1 TYR 80 HE1 TYR 80 26.106 28.746 9.906 346 HE2 TYR 80 HE2 TYR 80 23.734 26.446 7.161 347 HH TYR 80 HH TYR 80 25.157 28.079 6.556 348 HB2 TYR 80 2HB TYR 80 22.348 25.014 11.377 349 HB3 TYR 80 1HB TYR 80 22.212 26.596 12.147 350 H GLU 81 HN GLU 81 24.509 27.046 14.675 351 HA GLU 81 HA GLU 81 23.595 25.907 17.000 352 HB2 GLU 81 2HB GLU 81 24.680 28.138 16.861 353 HB3 GLU 81 1HB GLU 81 23.169 28.814 16.252 354 HG2 GLU 81 2HG GLU 81 22.020 28.148 18.321 355 HG3 GLU 81 1HG GLU 81 23.509 27.424 18.927 356 H LYS 82 HN LYS 82 21.562 27.549 14.586 357 HA LYS 82 HA LYS 82 19.194 26.400 16.011 358 HB2 LYS 82 2HB LYS 82 19.355 29.063 14.563 359 HB3 LYS 82 1HB LYS 82 17.902 28.382 15.297 360 HG2 LYS 82 2HG LYS 82 19.026 28.385 17.502 361 HG3 LYS 82 1HG LYS 82 20.464 29.090 16.763 362 HD2 LYS 82 2HD LYS 82 19.095 31.040 16.035 363 HD3 LYS 82 1HD LYS 82 17.702 30.345 16.864 364 HE2 LYS 82 2HE LYS 82 18.530 31.771 18.509 365 HE3 LYS 82 1HE LYS 82 19.356 30.267 18.923 366 HZ1 LYS 82 3HZ LYS 82 20.422 32.719 17.788 367 HZ2 LYS 82 1HZ LYS 82 21.045 31.279 17.144 368 HZ3 LYS 82 2HZ LYS 82 21.160 31.581 18.812 369 H MET 83 HN MET 83 17.401 25.835 14.591 370 HA MET 83 HA MET 83 18.304 24.677 12.088 371 HB2 MET 83 2HB MET 83 15.522 24.973 13.263 372 HB3 MET 83 1HB MET 83 15.914 24.011 11.838 373 HG2 MET 83 2HG MET 83 17.639 22.821 13.347 374 HG3 MET 83 1HG MET 83 16.780 23.565 14.696 375 HE1 MET 83 3HE MET 83 17.035 20.261 14.192 376 HE2 MET 83 1HE MET 83 15.495 20.017 15.027 377 HE3 MET 83 2HE MET 83 16.602 21.274 15.566 378 H GLU 84 HN GLU 84 16.913 27.703 13.020 379 HA GLU 84 HA GLU 84 15.666 28.405 10.530 380 HB2 GLU 84 2HB GLU 84 16.882 30.116 12.718 381 HB3 GLU 84 1HB GLU 84 15.974 30.769 11.354 382 HG2 GLU 84 2HG GLU 84 14.033 29.350 12.012 383 HG3 GLU 84 1HG GLU 84 14.941 28.802 13.420 384 H SER 85 HN SER 85 18.915 29.166 11.835 385 HA SER 85 HA SER 85 19.867 30.531 9.527 386 HG SER 85 HG SER 85 20.018 30.693 12.148 387 HB2 SER 85 2HB SER 85 21.478 28.809 11.436 388 HB3 SER 85 1HB SER 85 22.106 30.087 10.395 389 H ALA 86 HN ALA 86 19.705 27.087 10.309 390 HA ALA 86 HA ALA 86 21.246 26.262 7.985 391 HB1 ALA 86 1HB ALA 86 21.091 24.193 8.905 392 HB2 ALA 86 2HB ALA 86 19.338 24.303 9.059 393 HB3 ALA 86 3HB ALA 86 20.379 25.012 10.295 394 H ASP 87 HN ASP 87 17.860 26.870 8.693 395 HA ASP 87 HA ASP 87 16.780 25.603 6.345 396 HB2 ASP 87 2HB ASP 87 15.767 27.779 8.183 397 HB3 ASP 87 1HB ASP 87 14.835 27.221 6.794 398 H GLN 88 HN GLN 88 17.994 28.862 7.027 399 HA GLN 88 HA GLN 88 17.206 29.970 4.473 400 HB2 GLN 88 2HB GLN 88 17.730 31.354 6.486 401 HB3 GLN 88 1HB GLN 88 19.420 30.880 6.337 402 HG2 GLN 88 2HG GLN 88 19.497 31.870 4.079 403 HG3 GLN 88 1HG GLN 88 17.806 32.344 4.226 404 HE21 GLN 88 1HE2 GLN 88 19.515 34.441 3.808 405 HE22 GLN 88 2HE2 GLN 88 19.786 35.313 5.239 406 H ALA 89 HN ALA 89 20.218 28.540 5.727 407 HA ALA 89 HA ALA 89 21.728 28.980 3.309 408 HB1 ALA 89 1HB ALA 89 22.448 26.624 4.938 409 HB2 ALA 89 2HB ALA 89 22.354 28.137 5.839 410 HB3 ALA 89 3HB ALA 89 23.436 28.002 4.453 411 H VAL 90 HN VAL 90 19.849 26.217 4.548 412 HA VAL 90 HA VAL 90 20.460 24.380 2.475 413 HB VAL 90 HB VAL 90 17.926 24.731 4.102 414 HG11 VAL 90 1HG1 VAL 90 18.813 22.490 2.261 415 HG12 VAL 90 2HG1 VAL 90 17.376 23.498 2.086 416 HG13 VAL 90 3HG1 VAL 90 17.490 22.350 3.420 417 HG21 VAL 90 3HG2 VAL 90 20.450 23.956 4.891 418 HG22 VAL 90 1HG2 VAL 90 19.684 22.410 4.526 419 HG23 VAL 90 2HG2 VAL 90 18.955 23.499 5.707 420 H ALA 91 HN ALA 91 18.064 26.988 2.624 421 HA ALA 91 HA ALA 91 16.853 26.290 0.070 422 HB1 ALA 91 1HB ALA 91 15.388 28.000 0.504 423 HB2 ALA 91 2HB ALA 91 16.657 29.077 1.087 424 HB3 ALA 91 3HB ALA 91 16.018 27.814 2.139 425 H GLU 92 HN GLU 92 18.989 28.966 1.122 426 HA GLU 92 HA GLU 92 19.425 29.945 -1.546 427 HB2 GLU 92 2HB GLU 92 21.143 30.259 0.934 428 HB3 GLU 92 1HB GLU 92 21.283 31.222 -0.536 429 HG2 GLU 92 2HG GLU 92 18.787 31.041 1.177 430 HG3 GLU 92 1HG GLU 92 19.945 32.371 1.227 431 H LEU 93 HN LEU 93 21.290 27.747 0.550 432 HA LEU 93 HA LEU 93 23.447 27.394 -1.330 433 HG LEU 93 HG LEU 93 23.105 27.848 1.662 434 HB2 LEU 93 2HB LEU 93 22.497 25.576 0.907 435 HB3 LEU 93 1HB LEU 93 24.043 25.442 0.069 436 HD11 LEU 93 1HD1 LEU 93 24.761 25.454 2.285 437 HD12 LEU 93 2HD1 LEU 93 23.744 26.425 3.350 438 HD13 LEU 93 3HD1 LEU 93 25.347 27.001 2.894 439 HD21 LEU 93 3HD2 LEU 93 25.519 27.274 -0.038 440 HD22 LEU 93 1HD2 LEU 93 25.647 28.377 1.330 441 HD23 LEU 93 2HD2 LEU 93 24.524 28.728 0.017 442 H ASN 94 HN ASN 94 20.418 25.635 -0.727 443 HA ASN 94 HA ASN 94 20.978 23.490 -2.564 444 HB2 ASN 94 2HB ASN 94 19.229 23.300 -0.846 445 HB3 ASN 94 1HB ASN 94 18.320 24.595 -1.619 446 HD21 ASN 94 1HD2 ASN 94 19.029 21.189 -1.729 447 HD22 ASN 94 2HD2 ASN 94 18.089 20.834 -3.095 448 H GLY 95 HN GLY 95 20.870 23.486 -4.763 449 HA2 GLY 95 2HA GLY 95 20.078 24.112 -6.921 450 HA3 GLY 95 1HA GLY 95 19.140 25.405 -6.174 451 H THR 96 HN THR 96 22.569 24.889 -5.549 452 HA THR 96 HA THR 96 23.122 27.435 -7.024 453 HB THR 96 HB THR 96 24.748 28.007 -5.349 454 HG1 THR 96 1HG THR 96 25.576 25.940 -4.989 455 HG21 THR 96 3HG2 THR 96 22.868 28.755 -4.315 456 HG22 THR 96 1HG2 THR 96 23.170 27.424 -3.197 457 HG23 THR 96 2HG2 THR 96 22.027 27.220 -4.525 458 H GLN 97 HN GLN 97 25.350 27.577 -7.901 459 HA GLN 97 HA GLN 97 26.635 24.919 -8.320 460 HB2 GLN 97 2HB GLN 97 25.213 25.430 -10.289 461 HB3 GLN 97 1HB GLN 97 26.077 26.953 -10.500 462 HG2 GLN 97 2HG GLN 97 28.199 25.688 -10.766 463 HG3 GLN 97 1HG GLN 97 27.300 24.178 -10.615 464 HE21 GLN 97 1HE2 GLN 97 28.643 24.456 -12.989 465 HE22 GLN 97 2HE2 GLN 97 27.581 24.842 -14.255 466 H VAL 98 HN VAL 98 28.915 25.132 -9.024 467 HA VAL 98 HA VAL 98 30.091 27.715 -8.076 468 HB VAL 98 HB VAL 98 31.739 25.225 -8.234 469 HG11 VAL 98 1HG1 VAL 98 33.119 26.505 -6.997 470 HG12 VAL 98 2HG1 VAL 98 31.858 26.774 -5.794 471 HG13 VAL 98 3HG1 VAL 98 31.982 27.838 -7.195 472 HG21 VAL 98 3HG2 VAL 98 30.139 24.108 -7.035 473 HG22 VAL 98 1HG2 VAL 98 29.349 25.596 -6.510 474 HG23 VAL 98 2HG2 VAL 98 30.809 25.037 -5.694 475 H GLU 99 HN GLU 99 32.712 27.185 -9.071 476 HA GLU 99 HA GLU 99 32.608 28.271 -11.655 477 HB2 GLU 99 2HB GLU 99 34.728 26.458 -10.461 478 HB3 GLU 99 1HB GLU 99 34.942 27.433 -11.915 479 HG2 GLU 99 2HG GLU 99 34.421 29.474 -10.577 480 HG3 GLU 99 1HG GLU 99 34.327 28.469 -9.130 481 H SER 100 HN SER 100 32.506 24.876 -10.659 482 HA SER 100 HA SER 100 31.297 24.125 -13.195 483 HG SER 100 HG SER 100 32.188 21.918 -13.833 484 HB2 SER 100 2HB SER 100 33.480 24.065 -14.099 485 HB3 SER 100 1HB SER 100 34.173 23.424 -12.609 486 H VAL 101 HN VAL 101 30.868 23.917 -10.244 487 HA VAL 101 HA VAL 101 30.342 20.988 -10.196 488 HB VAL 101 HB VAL 101 31.572 22.541 -7.898 489 HG11 VAL 101 1HG1 VAL 101 31.809 19.977 -7.183 490 HG12 VAL 101 2HG1 VAL 101 30.378 19.818 -8.202 491 HG13 VAL 101 3HG1 VAL 101 30.355 20.904 -6.811 492 HG21 VAL 101 3HG2 VAL 101 32.715 20.399 -9.717 493 HG22 VAL 101 1HG2 VAL 101 33.521 21.048 -8.290 494 HG23 VAL 101 2HG2 VAL 101 33.203 22.093 -9.675 495 H GLN 102 HN GLN 102 28.470 20.435 -8.988 496 HA GLN 102 HA GLN 102 26.693 22.747 -8.417 497 HB2 GLN 102 2HB GLN 102 26.082 19.781 -8.637 498 HB3 GLN 102 1HB GLN 102 24.885 21.054 -8.398 499 HG2 GLN 102 2HG GLN 102 25.513 22.080 -10.535 500 HG3 GLN 102 1HG GLN 102 26.771 20.865 -10.768 501 HE21 GLN 102 1HE2 GLN 102 24.686 21.122 -12.682 502 HE22 GLN 102 2HE2 GLN 102 23.689 19.750 -12.600 503 H LEU 103 HN LEU 103 25.699 23.000 -6.374 504 HA LEU 103 HA LEU 103 26.970 21.408 -4.185 505 HG LEU 103 HG LEU 103 28.186 23.866 -5.111 506 HB2 LEU 103 2HB LEU 103 25.888 24.237 -4.235 507 HB3 LEU 103 1HB LEU 103 26.339 23.402 -2.748 508 HD11 LEU 103 1HD1 LEU 103 27.390 25.581 -2.943 509 HD12 LEU 103 2HD1 LEU 103 28.550 25.907 -4.232 510 HD13 LEU 103 3HD1 LEU 103 29.085 25.140 -2.737 511 HD21 LEU 103 3HD2 LEU 103 28.291 22.130 -2.787 512 HD22 LEU 103 1HD2 LEU 103 29.615 23.295 -2.758 513 HD23 LEU 103 2HD2 LEU 103 29.407 22.231 -4.149 514 H LYS 104 HN LYS 104 25.632 20.289 -2.805 515 HA LYS 104 HA LYS 104 22.689 20.718 -3.138 516 HB2 LYS 104 2HB LYS 104 24.179 18.123 -2.634 517 HB3 LYS 104 1HB LYS 104 22.423 18.290 -2.664 518 HG2 LYS 104 2HG LYS 104 22.582 19.149 -5.001 519 HG3 LYS 104 1HG LYS 104 24.322 18.860 -4.960 520 HD2 LYS 104 2HD LYS 104 23.856 16.452 -4.452 521 HD3 LYS 104 1HD LYS 104 22.135 16.780 -4.657 522 HE2 LYS 104 2HE LYS 104 23.054 17.846 -6.957 523 HE3 LYS 104 1HE LYS 104 24.292 16.616 -6.702 524 HZ1 LYS 104 3HZ LYS 104 21.694 15.590 -6.176 525 HZ2 LYS 104 1HZ LYS 104 22.872 15.026 -7.259 526 HZ3 LYS 104 2HZ LYS 104 21.779 16.233 -7.746 527 H VAL 105 HN VAL 105 21.489 20.842 -1.242 528 HA VAL 105 HA VAL 105 23.006 20.499 1.314 529 HB VAL 105 HB VAL 105 20.903 22.609 0.750 530 HG11 VAL 105 1HG1 VAL 105 22.536 21.792 3.125 531 HG12 VAL 105 2HG1 VAL 105 20.853 22.314 3.052 532 HG13 VAL 105 3HG1 VAL 105 22.151 23.500 2.913 533 HG21 VAL 105 3HG2 VAL 105 22.576 23.702 -0.307 534 HG22 VAL 105 1HG2 VAL 105 23.775 22.519 0.215 535 HG23 VAL 105 2HG2 VAL 105 23.335 23.856 1.278 536 H ASN 106 HN ASN 106 21.812 19.598 3.040 537 HA ASN 106 HA ASN 106 18.947 19.046 2.692 538 HB2 ASN 106 2HB ASN 106 21.024 16.841 2.697 539 HB3 ASN 106 1HB ASN 106 19.312 16.564 3.014 540 HD21 ASN 106 1HD2 ASN 106 21.292 15.990 0.598 541 HD22 ASN 106 2HD2 ASN 106 20.368 16.462 -0.746 542 H ILE 107 HN ILE 107 18.630 17.133 4.666 543 HA ILE 107 HA ILE 107 19.746 18.547 7.054 544 HB ILE 107 HB ILE 107 17.199 16.916 6.829 545 HG12 ILE 107 2HG1 ILE 107 17.593 19.912 7.036 546 HG13 ILE 107 1HG1 ILE 107 17.120 19.056 5.570 547 HG21 ILE 107 1HG2 ILE 107 17.915 18.811 9.051 548 HG22 ILE 107 2HG2 ILE 107 18.532 17.158 9.075 549 HG23 ILE 107 3HG2 ILE 107 16.793 17.450 9.073 550 HD11 ILE 107 3HD1 ILE 107 15.509 18.518 8.016 551 HD12 ILE 107 1HD1 ILE 107 14.991 18.645 6.335 552 HD13 ILE 107 2HD1 ILE 107 15.314 20.105 7.272 553 H ALA 108 HN ALA 108 20.849 17.336 8.565 554 HA ALA 108 HA ALA 108 21.123 14.419 7.970 555 HB1 ALA 108 1HB ALA 108 23.149 15.327 9.768 556 HB2 ALA 108 2HB ALA 108 23.062 16.471 8.428 557 HB3 ALA 108 3HB ALA 108 23.342 14.759 8.111 558 H ARG 109 HN ARG 109 21.238 12.976 9.833 559 HA ARG 109 HA ARG 109 19.506 13.916 12.037 560 HE ARG 109 HE ARG 109 20.109 9.406 10.927 561 HB2 ARG 109 2HB ARG 109 20.607 11.154 11.439 562 HB3 ARG 109 1HB ARG 109 19.395 11.538 12.661 563 HG2 ARG 109 2HG ARG 109 17.888 12.387 10.893 564 HG3 ARG 109 1HG ARG 109 19.100 11.987 9.674 565 HD2 ARG 109 2HD ARG 109 17.684 10.042 11.521 566 HD3 ARG 109 1HD ARG 109 17.464 10.186 9.776 567 HH11 ARG 109 1HH1 ARG 109 17.790 7.396 10.328 568 HH12 ARG 109 2HH1 ARG 109 18.333 6.768 8.809 569 HH21 ARG 109 1HH2 ARG 109 20.667 9.282 8.304 570 HH22 ARG 109 2HH2 ARG 109 19.962 7.836 7.662 571 H LYS 110 HN LYS 110 22.571 14.429 11.579 572 HA LYS 110 HA LYS 110 23.849 13.177 13.861 573 HB2 LYS 110 2HB LYS 110 24.607 15.577 12.173 574 HB3 LYS 110 1HB LYS 110 25.637 14.899 13.433 575 HG2 LYS 110 2HG LYS 110 25.512 12.685 12.241 576 HG3 LYS 110 1HG LYS 110 24.657 13.497 10.930 577 HD2 LYS 110 2HD LYS 110 26.595 15.059 10.693 578 HD3 LYS 110 1HD LYS 110 27.453 14.131 11.921 579 HE2 LYS 110 2HE LYS 110 26.425 12.310 9.959 580 HE3 LYS 110 1HE LYS 110 27.292 13.601 9.127 581 HZ1 LYS 110 3HZ LYS 110 29.239 13.144 10.277 582 HZ2 LYS 110 1HZ LYS 110 28.621 11.600 9.943 583 HZ3 LYS 110 2HZ LYS 110 28.443 12.267 11.496 584 H GLN 111 HN GLN 111 25.067 15.134 15.295 585 HA GLN 111 HA GLN 111 24.737 16.737 16.982 586 HB2 GLN 111 2HB GLN 111 23.582 17.938 14.991 587 HB3 GLN 111 1HB GLN 111 22.075 17.412 15.738 588 HG2 GLN 111 2HG GLN 111 22.297 18.858 17.496 589 HG3 GLN 111 1HG GLN 111 24.038 18.645 17.573 590 HE21 GLN 111 1HE2 GLN 111 24.466 20.955 17.610 591 HE22 GLN 111 2HE2 GLN 111 24.220 21.925 16.239 592 HA PRO 112 HA PRO 112 21.532 13.619 18.643 593 HB2 PRO 112 2HB PRO 112 23.239 12.025 19.998 594 HB3 PRO 112 1HB PRO 112 22.791 11.740 18.315 595 HG2 PRO 112 2HG PRO 112 25.260 13.005 19.433 596 HG3 PRO 112 1HG PRO 112 25.103 11.863 18.096 597 HD2 PRO 112 1HD PRO 112 25.432 14.533 17.716 598 HD3 PRO 112 2HD PRO 112 24.543 13.511 16.588 599 H MET 113 HN MET 113 24.314 15.306 19.998 600 HA MET 113 HA MET 113 23.784 15.056 22.752 601 HB2 MET 113 2HB MET 113 25.026 17.112 23.045 602 HB3 MET 113 1HB MET 113 25.768 16.217 21.719 603 HG2 MET 113 2HG MET 113 24.022 17.627 20.276 604 HG3 MET 113 1HG MET 113 24.151 18.731 21.644 605 HE1 MET 113 3HE MET 113 25.794 19.048 18.164 606 HE2 MET 113 1HE MET 113 25.064 17.510 18.644 607 HE3 MET 113 2HE MET 113 26.795 17.608 18.330 608 H LEU 114 HN LEU 114 22.129 16.971 20.320 609 HA LEU 114 HA LEU 114 20.032 17.588 22.318 610 HG LEU 114 HG LEU 114 18.749 19.556 21.720 611 HB2 LEU 114 2HB LEU 114 21.504 19.554 22.392 612 HB3 LEU 114 1HB LEU 114 21.417 19.701 20.638 613 HD11 LEU 114 1HD1 LEU 114 18.827 20.854 23.556 614 HD12 LEU 114 2HD1 LEU 114 19.651 22.122 22.650 615 HD13 LEU 114 3HD1 LEU 114 20.587 20.860 23.451 616 HD21 LEU 114 3HD2 LEU 114 18.967 22.050 20.728 617 HD22 LEU 114 1HD2 LEU 114 18.842 20.633 19.687 618 HD23 LEU 114 2HD2 LEU 114 20.420 21.344 20.021 619 H ASP 115 HN ASP 115 20.366 15.904 19.843 620 HA ASP 115 HA ASP 115 19.214 15.485 17.825 621 HB2 ASP 115 2HB ASP 115 17.051 16.873 19.445 622 HB3 ASP 115 1HB ASP 115 16.769 15.904 17.998 623 H ALA 116 HN ALA 116 20.761 17.914 17.890 624 HA ALA 116 HA ALA 116 21.090 19.740 16.442 625 HB1 ALA 116 1HB ALA 116 18.683 19.928 14.998 626 HB2 ALA 116 2HB ALA 116 18.995 18.203 15.197 627 HB3 ALA 116 3HB ALA 116 20.209 19.236 14.446 628 H ALA 117 HN ALA 117 17.550 19.949 16.603 629 HA ALA 117 HA ALA 117 17.638 21.915 18.751 630 HB1 ALA 117 1HB ALA 117 18.021 22.795 16.065 631 HB2 ALA 117 2HB ALA 117 17.858 23.782 17.517 632 HB3 ALA 117 3HB ALA 117 16.426 23.337 16.588 633 H THR 118 HN THR 118 15.474 22.570 19.397 634 HA THR 118 HA THR 118 13.320 20.909 18.148 635 HB THR 118 HB THR 118 12.426 20.418 20.292 636 HG1 THR 118 1HG THR 118 14.145 22.488 21.157 637 HG21 THR 118 3HG2 THR 118 15.302 20.375 21.082 638 HG22 THR 118 1HG2 THR 118 14.845 19.504 19.619 639 HG23 THR 118 2HG2 THR 118 14.096 19.091 21.161 640 H GLY 119 HN GLY 119 11.105 21.844 18.540 641 HA2 GLY 119 1HA GLY 119 11.116 24.775 19.030 642 HA3 GLY 119 2HA GLY 119 10.472 24.189 17.497 643 H LYS 120 HN LYS 120 8.722 25.561 19.034 644 HA LYS 120 HA LYS 120 7.265 23.868 20.893 645 HB2 LYS 120 2HB LYS 120 7.258 26.399 20.914 646 HB3 LYS 120 1HB LYS 120 6.256 26.342 19.464 647 HG2 LYS 120 2HG LYS 120 4.581 24.987 20.698 648 HG3 LYS 120 1HG LYS 120 5.574 25.108 22.151 649 HD2 LYS 120 2HD LYS 120 5.391 27.601 22.006 650 HD3 LYS 120 1HD LYS 120 4.289 27.407 20.643 651 HE2 LYS 120 2HE LYS 120 2.558 26.770 21.979 652 HE3 LYS 120 1HE LYS 120 3.596 25.799 23.022 653 HZ1 LYS 120 3HZ LYS 120 3.707 28.749 23.075 654 HZ2 LYS 120 1HZ LYS 120 4.215 27.648 24.260 655 HZ3 LYS 120 2HZ LYS 120 2.556 27.900 23.992 656 H SER 121 HN SER 121 5.655 22.427 20.418 657 HA SER 121 HA SER 121 4.863 22.177 17.557 658 HG SER 121 HG SER 121 6.381 19.376 19.096 659 HB2 SER 121 2HB SER 121 3.993 20.107 19.482 660 HB3 SER 121 1HB SER 121 4.732 19.926 17.891 Start of MODEL 8 1 H ALA 35 HN ALA 35 27.069 23.176 29.734 2 HA ALA 35 HA ALA 35 24.996 21.390 29.342 3 HB1 ALA 35 1HB ALA 35 25.223 24.202 29.685 4 HB2 ALA 35 2HB ALA 35 23.788 23.202 29.909 5 HB3 ALA 35 3HB ALA 35 24.115 23.935 28.339 6 HA PRO 36 HA PRO 36 24.710 20.524 25.005 7 HB2 PRO 36 2HB PRO 36 22.050 20.128 24.739 8 HB3 PRO 36 1HB PRO 36 23.119 18.969 25.534 9 HG2 PRO 36 2HG PRO 36 21.318 21.032 26.748 10 HG3 PRO 36 1HG PRO 36 21.579 19.355 27.242 11 HD2 PRO 36 2HD PRO 36 22.762 21.428 28.512 12 HD3 PRO 36 1HD PRO 36 23.542 19.854 28.356 13 H ARG 37 HN ARG 37 24.390 21.650 23.091 14 HA ARG 37 HA ARG 37 22.740 24.141 23.259 15 HE ARG 37 HE ARG 37 27.277 25.499 25.286 16 HB2 ARG 37 2HB ARG 37 25.364 23.737 21.787 17 HB3 ARG 37 1HB ARG 37 24.381 25.200 21.730 18 HG2 ARG 37 2HG ARG 37 24.625 25.442 24.187 19 HG3 ARG 37 1HG ARG 37 25.646 24.004 24.215 20 HD2 ARG 37 2HD ARG 37 27.222 25.137 22.648 21 HD3 ARG 37 1HD ARG 37 26.226 26.590 22.737 22 HH11 ARG 37 1HH1 ARG 37 28.395 27.295 22.679 23 HH12 ARG 37 2HH1 ARG 37 28.841 28.690 23.605 24 HH21 ARG 37 1HH2 ARG 37 27.391 27.535 26.536 25 HH22 ARG 37 2HH2 ARG 37 28.272 28.825 25.789 26 H LYS 38 HN LYS 38 21.830 24.817 21.157 27 HA LYS 38 HA LYS 38 20.578 22.724 19.732 28 HB2 LYS 38 2HB LYS 38 21.224 25.501 18.695 29 HB3 LYS 38 1HB LYS 38 19.973 24.423 18.076 30 HG2 LYS 38 2HG LYS 38 18.776 24.517 20.192 31 HG3 LYS 38 1HG LYS 38 20.075 25.458 20.926 32 HD2 LYS 38 2HD LYS 38 19.652 27.308 19.387 33 HD3 LYS 38 1HD LYS 38 18.425 26.362 18.546 34 HE2 LYS 38 2HE LYS 38 16.947 26.424 20.394 35 HE3 LYS 38 1HE LYS 38 18.226 26.906 21.509 36 HZ1 LYS 38 3HZ LYS 38 17.417 28.948 21.160 37 HZ2 LYS 38 1HZ LYS 38 16.632 28.519 19.719 38 HZ3 LYS 38 2HZ LYS 38 18.291 28.888 19.705 39 H GLY 39 HN GLY 39 20.988 23.001 17.037 40 HA2 GLY 39 1HA GLY 39 23.387 23.234 15.818 41 HA3 GLY 39 2HA GLY 39 23.644 21.753 16.739 42 H ASN 40 HN ASN 40 21.658 23.220 14.196 43 HA ASN 40 HA ASN 40 20.387 20.661 13.531 44 HB2 ASN 40 2HB ASN 40 19.271 22.895 13.180 45 HB3 ASN 40 1HB ASN 40 20.448 23.223 11.908 46 HD21 ASN 40 1HD2 ASN 40 18.297 23.269 10.582 47 HD22 ASN 40 2HD2 ASN 40 17.763 21.787 9.948 48 H THR 41 HN THR 41 21.514 19.122 12.440 49 HA THR 41 HA THR 41 23.989 19.774 11.044 50 HB THR 41 HB THR 41 22.453 17.160 11.057 51 HG1 THR 41 1HG THR 41 24.655 17.754 12.689 52 HG21 THR 41 3HG2 THR 41 25.415 17.311 10.895 53 HG22 THR 41 1HG2 THR 41 24.526 17.836 9.466 54 HG23 THR 41 2HG2 THR 41 24.297 16.205 10.096 55 H LEU 42 HN LEU 42 24.365 19.584 8.789 56 HA LEU 42 HA LEU 42 21.902 19.477 7.094 57 HG LEU 42 HG LEU 42 21.486 21.601 7.748 58 HB2 LEU 42 2HB LEU 42 24.300 21.314 6.813 59 HB3 LEU 42 1HB LEU 42 23.032 21.147 5.600 60 HD11 LEU 42 1HD1 LEU 42 22.750 23.548 8.950 61 HD12 LEU 42 2HD1 LEU 42 24.203 22.735 8.370 62 HD13 LEU 42 3HD1 LEU 42 23.086 21.888 9.439 63 HD21 LEU 42 3HD2 LEU 42 22.291 23.009 5.483 64 HD22 LEU 42 1HD2 LEU 42 22.598 24.134 6.807 65 HD23 LEU 42 2HD2 LEU 42 20.982 23.467 6.573 66 H TYR 43 HN TYR 43 22.262 18.613 4.940 67 HA TYR 43 HA TYR 43 24.675 16.857 4.822 68 HD1 TYR 43 HD1 TYR 43 24.475 14.046 4.420 69 HD2 TYR 43 HD2 TYR 43 22.682 16.254 1.202 70 HE1 TYR 43 HE1 TYR 43 25.553 12.530 2.781 71 HE2 TYR 43 HE2 TYR 43 23.761 14.738 -0.438 72 HH TYR 43 HH TYR 43 25.000 12.920 -0.721 73 HB2 TYR 43 2HB TYR 43 22.580 15.611 4.798 74 HB3 TYR 43 1HB TYR 43 21.968 16.606 3.477 75 H VAL 44 HN VAL 44 26.223 17.675 3.503 76 HA VAL 44 HA VAL 44 25.354 19.285 1.141 77 HB VAL 44 HB VAL 44 28.080 19.176 2.468 78 HG11 VAL 44 1HG1 VAL 44 28.476 21.222 1.122 79 HG12 VAL 44 2HG1 VAL 44 26.885 21.030 0.385 80 HG13 VAL 44 3HG1 VAL 44 28.141 19.825 0.099 81 HG21 VAL 44 3HG2 VAL 44 27.213 21.644 3.009 82 HG22 VAL 44 1HG2 VAL 44 26.857 20.291 4.082 83 HG23 VAL 44 2HG2 VAL 44 25.644 20.846 2.928 84 H TYR 45 HN TYR 45 25.926 18.589 -0.904 85 HA TYR 45 HA TYR 45 27.683 16.174 -1.068 86 HD1 TYR 45 HD1 TYR 45 26.663 13.487 -1.745 87 HD2 TYR 45 HD2 TYR 45 26.213 16.432 -4.839 88 HE1 TYR 45 HE1 TYR 45 27.541 11.872 -3.409 89 HE2 TYR 45 HE2 TYR 45 27.091 14.817 -6.504 90 HH TYR 45 HH TYR 45 28.483 12.806 -6.556 91 HB2 TYR 45 2HB TYR 45 25.333 15.510 -1.385 92 HB3 TYR 45 1HB TYR 45 25.155 16.722 -2.654 93 H GLY 46 HN GLY 46 29.262 16.295 -2.630 94 HA2 GLY 46 1HA GLY 46 29.158 17.643 -5.087 95 HA3 GLY 46 2HA GLY 46 29.764 18.823 -3.924 96 H GLU 47 HN GLU 47 31.610 18.403 -5.683 97 HA GLU 47 HA GLU 47 33.377 16.240 -4.608 98 HB2 GLU 47 2HB GLU 47 33.386 17.516 -7.362 99 HB3 GLU 47 1HB GLU 47 34.491 16.257 -6.812 100 HG2 GLU 47 2HG GLU 47 32.543 14.762 -6.408 101 HG3 GLU 47 1HG GLU 47 31.477 16.014 -7.043 102 H ASP 48 HN ASP 48 35.724 16.807 -4.629 103 HA ASP 48 HA ASP 48 37.379 18.244 -3.755 104 HB2 ASP 48 2HB ASP 48 36.214 20.039 -5.906 105 HB3 ASP 48 1HB ASP 48 37.830 20.161 -5.211 106 H MET 49 HN MET 49 35.211 18.334 -2.085 107 HA MET 49 HA MET 49 34.631 21.223 -1.654 108 HB2 MET 49 2HB MET 49 33.388 18.727 -0.471 109 HB3 MET 49 1HB MET 49 32.928 20.369 -0.029 110 HG2 MET 49 2HG MET 49 32.416 20.806 -2.452 111 HG3 MET 49 1HG MET 49 32.712 19.098 -2.773 112 HE1 MET 49 3HE MET 49 31.720 18.067 0.179 113 HE2 MET 49 1HE MET 49 31.568 17.194 -1.353 114 HE3 MET 49 2HE MET 49 30.161 17.416 -0.318 115 H THR 50 HN THR 50 35.370 22.274 0.177 116 HA THR 50 HA THR 50 36.984 20.634 2.092 117 HB THR 50 HB THR 50 38.197 22.982 2.357 118 HG1 THR 50 1HG THR 50 37.137 24.229 0.962 119 HG21 THR 50 3HG2 THR 50 39.772 22.258 0.514 120 HG22 THR 50 1HG2 THR 50 38.606 21.001 0.105 121 HG23 THR 50 2HG2 THR 50 39.384 20.999 1.687 122 HA PRO 51 HA PRO 51 34.616 22.377 5.401 123 HB2 PRO 51 2HB PRO 51 36.482 22.872 7.292 124 HB3 PRO 51 1HB PRO 51 35.951 21.243 6.870 125 HG2 PRO 51 2HG PRO 51 38.402 22.724 5.995 126 HG3 PRO 51 1HG PRO 51 38.244 21.040 6.503 127 HD2 PRO 51 1HD PRO 51 38.390 21.748 3.896 128 HD3 PRO 51 2HD PRO 51 37.449 20.359 4.441 129 H THR 52 HN THR 52 37.682 24.225 5.145 130 HA THR 52 HA THR 52 36.791 26.650 6.209 131 HB THR 52 HB THR 52 38.597 26.393 3.787 132 HG1 THR 52 1HG THR 52 39.277 26.333 6.536 133 HG21 THR 52 3HG2 THR 52 38.464 28.442 6.016 134 HG22 THR 52 1HG2 THR 52 37.878 28.688 4.371 135 HG23 THR 52 2HG2 THR 52 39.601 28.453 4.668 136 H LEU 53 HN LEU 53 36.590 25.599 2.794 137 HA LEU 53 HA LEU 53 35.232 27.907 1.830 138 HG LEU 53 HG LEU 53 33.263 26.777 0.077 139 HB2 LEU 53 2HB LEU 53 36.216 26.176 0.349 140 HB3 LEU 53 1HB LEU 53 34.969 25.041 0.866 141 HD11 LEU 53 1HD1 LEU 53 35.575 28.328 -0.202 142 HD12 LEU 53 2HD1 LEU 53 33.968 28.731 -0.805 143 HD13 LEU 53 3HD1 LEU 53 35.123 27.912 -1.855 144 HD21 LEU 53 3HD2 LEU 53 34.073 26.247 -2.459 145 HD22 LEU 53 1HD2 LEU 53 33.290 25.052 -1.426 146 HD23 LEU 53 2HD2 LEU 53 35.048 25.074 -1.574 147 H LEU 54 HN LEU 54 33.946 24.819 3.082 148 HA LEU 54 HA LEU 54 31.192 25.410 2.755 149 HG LEU 54 HG LEU 54 32.701 23.252 2.329 150 HB2 LEU 54 2HB LEU 54 32.572 23.794 4.923 151 HB3 LEU 54 1HB LEU 54 30.836 23.779 4.614 152 HD11 LEU 54 1HD1 LEU 54 33.405 21.231 3.072 153 HD12 LEU 54 2HD1 LEU 54 31.818 20.834 3.732 154 HD13 LEU 54 3HD1 LEU 54 32.952 21.800 4.678 155 HD21 LEU 54 3HD2 LEU 54 29.980 22.186 3.147 156 HD22 LEU 54 1HD2 LEU 54 30.815 21.804 1.641 157 HD23 LEU 54 2HD2 LEU 54 30.274 23.453 1.956 158 H ARG 55 HN ARG 55 33.360 26.073 5.516 159 HA ARG 55 HA ARG 55 31.505 27.228 7.275 160 HE ARG 55 HE ARG 55 36.069 24.804 9.076 161 HB2 ARG 55 2HB ARG 55 34.382 28.012 6.725 162 HB3 ARG 55 1HB ARG 55 33.444 28.623 8.087 163 HG2 ARG 55 2HG ARG 55 33.076 26.292 8.856 164 HG3 ARG 55 1HG ARG 55 34.063 25.708 7.517 165 HD2 ARG 55 2HD ARG 55 35.946 27.147 8.396 166 HD3 ARG 55 1HD ARG 55 34.954 27.467 9.818 167 HH11 ARG 55 1HH1 ARG 55 33.388 25.138 10.670 168 HH12 ARG 55 2HH1 ARG 55 33.975 24.877 12.278 169 HH21 ARG 55 1HH2 ARG 55 37.311 25.243 11.405 170 HH22 ARG 55 2HH2 ARG 55 36.196 24.935 12.694 171 H GLY 56 HN GLY 56 33.147 28.692 4.487 172 HA2 GLY 56 2HA GLY 56 32.092 31.342 4.917 173 HA3 GLY 56 1HA GLY 56 32.765 30.741 3.401 174 H ALA 57 HN ALA 57 30.938 28.490 3.172 175 HA ALA 57 HA ALA 57 28.714 29.864 1.911 176 HB1 ALA 57 1HB ALA 57 28.767 26.908 2.500 177 HB2 ALA 57 2HB ALA 57 29.817 27.594 1.262 178 HB3 ALA 57 3HB ALA 57 28.066 27.744 1.114 179 H PHE 58 HN PHE 58 29.257 28.324 5.004 180 HA PHE 58 HA PHE 58 26.372 28.741 5.676 181 HD1 PHE 58 HD1 PHE 58 28.831 25.772 4.782 182 HD2 PHE 58 HD2 PHE 58 24.868 26.264 6.363 183 HE1 PHE 58 HE1 PHE 58 27.979 24.092 3.168 184 HE2 PHE 58 HE2 PHE 58 24.017 24.585 4.749 185 HZ PHE 58 HZ PHE 58 25.572 23.499 3.152 186 HB2 PHE 58 2HB PHE 58 28.444 26.910 6.922 187 HB3 PHE 58 1HB PHE 58 26.812 27.136 7.550 188 H SER 59 HN SER 59 29.129 30.384 5.859 189 HA SER 59 HA SER 59 29.297 31.024 8.683 190 HG SER 59 HG SER 59 30.289 33.989 6.855 191 HB2 SER 59 2HB SER 59 31.295 31.558 7.682 192 HB3 SER 59 1HB SER 59 30.529 32.016 6.160 193 HA PRO 60 HA PRO 60 26.989 35.092 7.343 194 HB2 PRO 60 2HB PRO 60 25.845 35.111 4.894 195 HB3 PRO 60 1HB PRO 60 27.495 35.662 5.189 196 HG2 PRO 60 2HG PRO 60 26.535 33.026 4.137 197 HG3 PRO 60 1HG PRO 60 27.875 34.027 3.568 198 HD2 PRO 60 2HD PRO 60 28.277 31.870 5.136 199 HD3 PRO 60 1HD PRO 60 29.296 33.305 5.249 200 H PHE 61 HN PHE 61 25.753 31.972 6.246 201 HA PHE 61 HA PHE 61 22.960 32.653 6.501 202 HD1 PHE 61 HD1 PHE 61 25.581 30.840 4.426 203 HD2 PHE 61 HD2 PHE 61 21.300 30.765 4.771 204 HE1 PHE 61 HE1 PHE 61 25.379 31.119 1.971 205 HE2 PHE 61 HE2 PHE 61 21.099 31.045 2.317 206 HZ PHE 61 HZ PHE 61 23.137 31.222 0.915 207 HB2 PHE 61 2HB PHE 61 24.455 30.025 6.474 208 HB3 PHE 61 1HB PHE 61 22.700 30.111 6.630 209 H GLY 62 HN GLY 62 25.407 31.430 8.729 210 HA2 GLY 62 1HA GLY 62 24.111 32.361 11.056 211 HA3 GLY 62 2HA GLY 62 23.621 30.680 10.842 212 H ASN 63 HN ASN 63 24.884 30.593 12.992 213 HA ASN 63 HA ASN 63 27.824 30.469 12.547 214 HB2 ASN 63 2HB ASN 63 26.168 30.357 15.087 215 HB3 ASN 63 1HB ASN 63 27.927 30.244 15.036 216 HD21 ASN 63 1HD2 ASN 63 26.750 32.391 16.438 217 HD22 ASN 63 2HD2 ASN 63 27.017 33.835 15.586 218 H ILE 64 HN ILE 64 28.924 28.521 12.649 219 HA ILE 64 HA ILE 64 27.223 26.083 12.809 220 HB ILE 64 HB ILE 64 30.075 26.353 11.814 221 HG12 ILE 64 2HG1 ILE 64 27.571 26.102 10.139 222 HG13 ILE 64 1HG1 ILE 64 28.277 27.667 10.544 223 HG21 ILE 64 1HG2 ILE 64 29.081 24.086 12.608 224 HG22 ILE 64 2HG2 ILE 64 29.841 24.145 11.018 225 HG23 ILE 64 3HG2 ILE 64 28.083 24.186 11.158 226 HD11 ILE 64 3HD1 ILE 64 29.604 27.384 8.734 227 HD12 ILE 64 1HD1 ILE 64 29.165 25.681 8.589 228 HD13 ILE 64 2HD1 ILE 64 30.458 26.168 9.684 229 H ILE 65 HN ILE 65 27.395 24.763 14.557 230 HA ILE 65 HA ILE 65 29.481 25.387 16.572 231 HB ILE 65 HB ILE 65 28.130 24.123 18.118 232 HG12 ILE 65 2HG1 ILE 65 26.486 23.292 15.707 233 HG13 ILE 65 1HG1 ILE 65 27.616 22.250 16.572 234 HG21 ILE 65 1HG2 ILE 65 27.302 26.384 17.564 235 HG22 ILE 65 2HG2 ILE 65 25.963 25.294 17.923 236 HG23 ILE 65 3HG2 ILE 65 26.338 25.709 16.252 237 HD11 ILE 65 3HD1 ILE 65 25.386 21.803 17.412 238 HD12 ILE 65 1HD1 ILE 65 25.096 23.521 17.680 239 HD13 ILE 65 2HD1 ILE 65 26.280 22.663 18.665 240 H ASP 66 HN ASP 66 28.580 22.932 14.265 241 HA ASP 66 HA ASP 66 31.031 21.427 15.018 242 HB2 ASP 66 2HB ASP 66 29.061 20.317 16.090 243 HB3 ASP 66 1HB ASP 66 28.353 20.106 14.489 244 H LEU 67 HN LEU 67 32.207 20.941 13.222 245 HA LEU 67 HA LEU 67 30.805 21.058 10.580 246 HG LEU 67 HG LEU 67 33.434 22.826 8.848 247 HB2 LEU 67 2HB LEU 67 32.395 22.944 10.982 248 HB3 LEU 67 1HB LEU 67 33.693 21.769 11.180 249 HD11 LEU 67 1HD1 LEU 67 34.527 21.005 8.057 250 HD12 LEU 67 2HD1 LEU 67 33.172 19.930 8.403 251 HD13 LEU 67 3HD1 LEU 67 34.313 20.351 9.680 252 HD21 LEU 67 3HD2 LEU 67 30.934 22.605 8.828 253 HD22 LEU 67 1HD2 LEU 67 31.133 20.856 8.717 254 HD23 LEU 67 2HD2 LEU 67 31.711 21.894 7.413 255 H SER 68 HN SER 68 30.698 19.040 9.716 256 HA SER 68 HA SER 68 33.006 17.199 10.210 257 HG SER 68 HG SER 68 31.745 16.104 12.089 258 HB2 SER 68 2HB SER 68 30.080 16.489 9.838 259 HB3 SER 68 1HB SER 68 31.394 15.331 10.044 260 H MET 69 HN MET 69 33.757 16.023 8.410 261 HA MET 69 HA MET 69 32.527 16.781 5.789 262 HB2 MET 69 2HB MET 69 35.463 16.320 6.406 263 HB3 MET 69 1HB MET 69 34.794 16.715 4.823 264 HG2 MET 69 2HG MET 69 34.533 18.461 7.290 265 HG3 MET 69 1HG MET 69 35.706 18.718 5.999 266 HE1 MET 69 3HE MET 69 33.553 19.333 2.883 267 HE2 MET 69 1HE MET 69 33.962 17.716 3.473 268 HE3 MET 69 2HE MET 69 35.145 19.017 3.568 269 H ASP 70 HN ASP 70 32.338 15.110 4.262 270 HA ASP 70 HA ASP 70 33.154 12.391 5.208 271 HB2 ASP 70 2HB ASP 70 30.529 13.387 4.683 272 HB3 ASP 70 1HB ASP 70 30.922 12.218 3.424 273 HA PRO 71 HA PRO 71 35.158 13.019 1.141 274 HB2 PRO 71 2HB PRO 71 37.309 11.478 1.675 275 HB3 PRO 71 1HB PRO 71 37.185 13.174 2.139 276 HG2 PRO 71 2HG PRO 71 36.874 10.728 3.796 277 HG3 PRO 71 1HG PRO 71 37.540 12.300 4.234 278 HD2 PRO 71 2HD PRO 71 35.000 11.436 4.904 279 HD3 PRO 71 1HD PRO 71 35.506 13.122 4.847 280 HA PRO 72 HA PRO 72 34.902 8.207 0.562 281 HB2 PRO 72 2HB PRO 72 33.284 6.862 2.243 282 HB3 PRO 72 1HB PRO 72 35.007 7.084 2.549 283 HG2 PRO 72 2HG PRO 72 32.669 8.509 3.724 284 HG3 PRO 72 1HG PRO 72 34.179 8.017 4.493 285 HD2 PRO 72 1HD PRO 72 33.638 10.571 3.665 286 HD3 PRO 72 2HD PRO 72 35.262 9.918 3.847 287 H ARG 73 HN ARG 73 32.204 10.171 1.628 288 HA ARG 73 HA ARG 73 30.482 8.829 -0.417 289 HE ARG 73 HE ARG 73 27.680 6.358 3.852 290 HB2 ARG 73 2HB ARG 73 29.717 10.429 2.044 291 HB3 ARG 73 1HB ARG 73 28.567 9.820 0.853 292 HG2 ARG 73 2HG ARG 73 29.436 7.505 1.288 293 HG3 ARG 73 1HG ARG 73 30.432 8.170 2.584 294 HD2 ARG 73 2HD ARG 73 28.319 9.089 3.618 295 HD3 ARG 73 1HD ARG 73 27.406 8.189 2.406 296 HH11 ARG 73 1HH1 ARG 73 29.572 8.575 5.325 297 HH12 ARG 73 2HH1 ARG 73 30.856 7.503 5.780 298 HH21 ARG 73 1HH2 ARG 73 29.718 4.882 3.815 299 HH22 ARG 73 2HH2 ARG 73 30.938 5.412 4.924 300 H ASN 74 HN ASN 74 32.438 11.424 -0.126 301 HA ASN 74 HA ASN 74 32.564 13.484 -1.244 302 HB2 ASN 74 2HB ASN 74 30.373 12.211 -2.913 303 HB3 ASN 74 1HB ASN 74 31.291 13.647 -3.362 304 HD21 ASN 74 1HD2 ASN 74 31.368 11.274 -4.970 305 HD22 ASN 74 2HD2 ASN 74 32.930 10.616 -4.879 306 H CYS 75 HN CYS 75 31.100 13.584 1.092 307 HA CYS 75 HA CYS 75 29.195 15.742 0.457 308 HG CYS 75 HG CYS 75 28.868 13.249 3.364 309 HB2 CYS 75 2HB CYS 75 27.353 14.757 1.712 310 HB3 CYS 75 1HB CYS 75 27.835 13.638 0.436 311 H ALA 76 HN ALA 76 28.896 17.158 2.239 312 HA ALA 76 HA ALA 76 30.622 16.554 4.608 313 HB1 ALA 76 1HB ALA 76 31.755 18.338 3.642 314 HB2 ALA 76 2HB ALA 76 30.631 19.204 4.691 315 HB3 ALA 76 3HB ALA 76 30.283 19.041 2.969 316 H PHE 77 HN PHE 77 29.851 17.505 6.646 317 HA PHE 77 HA PHE 77 26.898 17.980 6.613 318 HD1 PHE 77 HD1 PHE 77 25.172 15.855 7.528 319 HD2 PHE 77 HD2 PHE 77 29.332 14.831 7.206 320 HE1 PHE 77 HE1 PHE 77 24.568 13.783 6.307 321 HE2 PHE 77 HE2 PHE 77 28.728 12.760 5.985 322 HZ PHE 77 HZ PHE 77 26.346 12.235 5.536 323 HB2 PHE 77 2HB PHE 77 28.595 16.591 8.707 324 HB3 PHE 77 1HB PHE 77 26.884 16.975 8.903 325 H VAL 78 HN VAL 78 26.150 19.748 7.772 326 HA VAL 78 HA VAL 78 28.192 21.309 9.301 327 HB VAL 78 HB VAL 78 26.035 22.510 7.548 328 HG11 VAL 78 1HG1 VAL 78 28.339 23.588 9.170 329 HG12 VAL 78 2HG1 VAL 78 26.645 24.078 9.209 330 HG13 VAL 78 3HG1 VAL 78 27.657 24.509 7.830 331 HG21 VAL 78 3HG2 VAL 78 28.755 22.962 6.660 332 HG22 VAL 78 1HG2 VAL 78 27.390 22.302 5.759 333 HG23 VAL 78 2HG2 VAL 78 28.408 21.234 6.726 334 H THR 79 HN THR 79 27.460 22.114 11.256 335 HA THR 79 HA THR 79 24.635 21.460 11.962 336 HB THR 79 HB THR 79 26.920 22.072 13.854 337 HG1 THR 79 1HG THR 79 25.895 19.522 13.219 338 HG21 THR 79 3HG2 THR 79 24.321 22.153 14.419 339 HG22 THR 79 1HG2 THR 79 25.481 21.467 15.556 340 HG23 THR 79 2HG2 THR 79 24.531 20.405 14.517 341 H TYR 80 HN TYR 80 23.255 23.113 12.529 342 HA TYR 80 HA TYR 80 24.438 25.858 12.623 343 HD1 TYR 80 HD1 TYR 80 24.488 27.496 11.750 344 HD2 TYR 80 HD2 TYR 80 21.991 25.252 9.070 345 HE1 TYR 80 HE1 TYR 80 25.573 28.600 9.816 346 HE2 TYR 80 HE2 TYR 80 23.077 26.357 7.134 347 HH TYR 80 HH TYR 80 25.535 28.887 7.607 348 HB2 TYR 80 2HB TYR 80 21.990 24.740 11.375 349 HB3 TYR 80 1HB TYR 80 21.798 26.305 12.165 350 H GLU 81 HN GLU 81 23.880 27.194 14.354 351 HA GLU 81 HA GLU 81 23.049 25.953 16.799 352 HB2 GLU 81 2HB GLU 81 24.433 28.054 16.615 353 HB3 GLU 81 1HB GLU 81 22.966 28.911 16.141 354 HG2 GLU 81 2HG GLU 81 21.899 28.125 18.280 355 HG3 GLU 81 1HG GLU 81 23.462 27.461 18.758 356 H LYS 82 HN LYS 82 21.284 27.369 14.169 357 HA LYS 82 HA LYS 82 18.760 26.857 15.672 358 HB2 LYS 82 2HB LYS 82 19.388 29.306 13.995 359 HB3 LYS 82 1HB LYS 82 17.784 28.902 14.609 360 HG2 LYS 82 2HG LYS 82 18.735 28.909 16.930 361 HG3 LYS 82 1HG LYS 82 20.266 29.468 16.258 362 HD2 LYS 82 2HD LYS 82 19.082 31.442 15.296 363 HD3 LYS 82 1HD LYS 82 17.597 30.899 16.079 364 HE2 LYS 82 2HE LYS 82 18.343 32.288 17.749 365 HE3 LYS 82 1HE LYS 82 19.251 30.847 18.208 366 HZ1 LYS 82 3HZ LYS 82 20.522 33.025 17.967 367 HZ2 LYS 82 1HZ LYS 82 20.348 32.811 16.293 368 HZ3 LYS 82 2HZ LYS 82 21.177 31.649 17.215 369 H MET 83 HN MET 83 17.240 25.779 14.451 370 HA MET 83 HA MET 83 17.956 24.518 12.017 371 HB2 MET 83 2HB MET 83 15.162 25.141 13.022 372 HB3 MET 83 1HB MET 83 15.585 23.912 11.831 373 HG2 MET 83 2HG MET 83 16.990 22.773 13.533 374 HG3 MET 83 1HG MET 83 16.507 23.983 14.722 375 HE1 MET 83 3HE MET 83 15.495 20.911 15.794 376 HE2 MET 83 1HE MET 83 14.314 22.020 16.503 377 HE3 MET 83 2HE MET 83 15.968 22.554 16.219 378 H GLU 84 HN GLU 84 16.649 27.683 12.638 379 HA GLU 84 HA GLU 84 15.562 28.198 10.030 380 HB2 GLU 84 2HB GLU 84 16.683 30.066 12.138 381 HB3 GLU 84 1HB GLU 84 15.853 30.612 10.681 382 HG2 GLU 84 2HG GLU 84 13.856 29.300 11.350 383 HG3 GLU 84 1HG GLU 84 14.686 28.811 12.826 384 H SER 85 HN SER 85 18.804 28.572 11.417 385 HA SER 85 HA SER 85 19.969 29.999 9.235 386 HG SER 85 HG SER 85 21.676 29.741 12.389 387 HB2 SER 85 2HB SER 85 21.336 27.981 11.039 388 HB3 SER 85 1HB SER 85 22.110 29.282 10.133 389 H ALA 86 HN ALA 86 19.292 26.578 9.726 390 HA ALA 86 HA ALA 86 20.881 25.695 7.454 391 HB1 ALA 86 1HB ALA 86 19.529 23.563 7.760 392 HB2 ALA 86 2HB ALA 86 18.708 24.372 9.094 393 HB3 ALA 86 3HB ALA 86 20.445 24.079 9.175 394 H ASP 87 HN ASP 87 17.514 26.627 7.982 395 HA ASP 87 HA ASP 87 16.465 25.706 5.491 396 HB2 ASP 87 2HB ASP 87 15.066 26.496 7.393 397 HB3 ASP 87 1HB ASP 87 15.617 28.143 7.086 398 H GLN 88 HN GLN 88 17.888 28.854 6.406 399 HA GLN 88 HA GLN 88 17.571 30.012 3.782 400 HB2 GLN 88 2HB GLN 88 17.944 31.314 5.905 401 HB3 GLN 88 1HB GLN 88 19.615 30.751 5.895 402 HG2 GLN 88 2HG GLN 88 19.787 31.712 3.537 403 HG3 GLN 88 1HG GLN 88 18.236 32.494 3.842 404 HE21 GLN 88 1HE2 GLN 88 18.644 34.649 4.365 405 HE22 GLN 88 2HE2 GLN 88 19.868 35.181 5.415 406 H ALA 89 HN ALA 89 20.291 28.381 5.413 407 HA ALA 89 HA ALA 89 22.080 28.678 3.154 408 HB1 ALA 89 1HB ALA 89 22.775 26.404 4.762 409 HB2 ALA 89 2HB ALA 89 22.246 27.709 5.824 410 HB3 ALA 89 3HB ALA 89 23.569 27.978 4.689 411 H VAL 90 HN VAL 90 19.849 26.151 4.252 412 HA VAL 90 HA VAL 90 20.681 24.189 2.306 413 HB VAL 90 HB VAL 90 18.108 24.529 3.871 414 HG11 VAL 90 1HG1 VAL 90 18.489 21.851 2.987 415 HG12 VAL 90 2HG1 VAL 90 18.649 22.893 1.573 416 HG13 VAL 90 3HG1 VAL 90 17.184 22.956 2.554 417 HG21 VAL 90 3HG2 VAL 90 19.233 23.507 5.530 418 HG22 VAL 90 1HG2 VAL 90 20.702 23.617 4.560 419 HG23 VAL 90 2HG2 VAL 90 19.679 22.184 4.452 420 H ALA 91 HN ALA 91 17.974 26.522 2.385 421 HA ALA 91 HA ALA 91 17.059 25.807 -0.274 422 HB1 ALA 91 1HB ALA 91 16.522 28.379 1.235 423 HB2 ALA 91 2HB ALA 91 15.639 26.880 1.524 424 HB3 ALA 91 3HB ALA 91 15.544 27.671 -0.050 425 H GLU 92 HN GLU 92 19.372 28.102 1.024 426 HA GLU 92 HA GLU 92 19.593 29.530 -1.544 427 HB2 GLU 92 2HB GLU 92 19.859 30.647 0.719 428 HB3 GLU 92 1HB GLU 92 21.384 29.778 0.885 429 HG2 GLU 92 2HG GLU 92 21.741 32.049 -0.026 430 HG3 GLU 92 1HG GLU 92 22.203 30.812 -1.193 431 H LEU 93 HN LEU 93 21.712 27.472 0.483 432 HA LEU 93 HA LEU 93 23.817 27.347 -1.478 433 HG LEU 93 HG LEU 93 23.543 27.882 1.340 434 HB2 LEU 93 2HB LEU 93 23.159 25.411 0.763 435 HB3 LEU 93 1HB LEU 93 24.688 25.492 -0.113 436 HD11 LEU 93 1HD1 LEU 93 23.996 25.766 2.791 437 HD12 LEU 93 2HD1 LEU 93 24.706 27.298 3.301 438 HD13 LEU 93 3HD1 LEU 93 25.697 26.101 2.466 439 HD21 LEU 93 3HD2 LEU 93 25.230 28.585 -0.136 440 HD22 LEU 93 1HD2 LEU 93 26.179 27.119 0.101 441 HD23 LEU 93 2HD2 LEU 93 26.113 28.341 1.371 442 H ASN 94 HN ASN 94 21.034 25.255 -0.760 443 HA ASN 94 HA ASN 94 21.746 23.204 -2.653 444 HB2 ASN 94 2HB ASN 94 20.070 22.986 -0.756 445 HB3 ASN 94 1HB ASN 94 18.950 23.921 -1.746 446 HD21 ASN 94 1HD2 ASN 94 17.584 21.892 -1.772 447 HD22 ASN 94 2HD2 ASN 94 17.974 20.655 -2.867 448 H GLY 95 HN GLY 95 21.566 23.248 -4.845 449 HA2 GLY 95 2HA GLY 95 20.445 23.759 -6.917 450 HA3 GLY 95 1HA GLY 95 19.578 25.058 -6.097 451 H THR 96 HN THR 96 22.966 24.838 -5.478 452 HA THR 96 HA THR 96 23.428 27.118 -7.361 453 HB THR 96 HB THR 96 24.882 28.128 -5.749 454 HG1 THR 96 1HG THR 96 24.643 25.628 -4.468 455 HG21 THR 96 3HG2 THR 96 22.647 27.036 -4.046 456 HG22 THR 96 1HG2 THR 96 22.334 28.180 -5.352 457 HG23 THR 96 2HG2 THR 96 23.373 28.642 -4.004 458 H GLN 97 HN GLN 97 25.457 27.139 -8.444 459 HA GLN 97 HA GLN 97 26.987 24.573 -8.240 460 HB2 GLN 97 2HB GLN 97 25.685 24.863 -10.372 461 HB3 GLN 97 1HB GLN 97 26.647 26.302 -10.708 462 HG2 GLN 97 2HG GLN 97 28.712 24.912 -10.582 463 HG3 GLN 97 1HG GLN 97 27.706 23.483 -10.344 464 HE21 GLN 97 1HE2 GLN 97 29.309 23.429 -12.587 465 HE22 GLN 97 2HE2 GLN 97 28.392 23.687 -13.991 466 H VAL 98 HN VAL 98 29.226 24.748 -8.123 467 HA VAL 98 HA VAL 98 30.285 27.399 -7.456 468 HB VAL 98 HB VAL 98 32.075 25.026 -7.797 469 HG11 VAL 98 1HG1 VAL 98 32.110 26.457 -5.268 470 HG12 VAL 98 2HG1 VAL 98 32.224 27.573 -6.628 471 HG13 VAL 98 3HG1 VAL 98 33.398 26.268 -6.458 472 HG21 VAL 98 3HG2 VAL 98 30.437 23.795 -6.710 473 HG22 VAL 98 1HG2 VAL 98 29.753 25.214 -5.915 474 HG23 VAL 98 2HG2 VAL 98 31.257 24.510 -5.322 475 H GLU 99 HN GLU 99 32.901 27.192 -8.494 476 HA GLU 99 HA GLU 99 32.642 28.364 -11.043 477 HB2 GLU 99 2HB GLU 99 34.989 26.836 -9.878 478 HB3 GLU 99 1HB GLU 99 35.074 27.860 -11.311 479 HG2 GLU 99 2HG GLU 99 34.270 29.783 -9.939 480 HG3 GLU 99 1HG GLU 99 34.308 28.746 -8.513 481 H SER 100 HN SER 100 33.084 24.961 -10.153 482 HA SER 100 HA SER 100 32.067 24.166 -12.794 483 HG SER 100 HG SER 100 33.599 22.198 -13.919 484 HB2 SER 100 2HB SER 100 34.751 24.452 -12.673 485 HB3 SER 100 1HB SER 100 34.607 22.803 -12.064 486 H VAL 101 HN VAL 101 31.441 23.904 -9.839 487 HA VAL 101 HA VAL 101 31.056 20.950 -9.884 488 HB VAL 101 HB VAL 101 31.982 22.546 -7.475 489 HG11 VAL 101 1HG1 VAL 101 30.611 20.805 -6.652 490 HG12 VAL 101 2HG1 VAL 101 32.238 20.125 -6.585 491 HG13 VAL 101 3HG1 VAL 101 31.147 19.677 -7.897 492 HG21 VAL 101 3HG2 VAL 101 34.098 21.564 -7.748 493 HG22 VAL 101 1HG2 VAL 101 33.636 21.953 -9.405 494 HG23 VAL 101 2HG2 VAL 101 33.478 20.301 -8.810 495 H GLN 102 HN GLN 102 29.304 20.294 -8.316 496 HA GLN 102 HA GLN 102 27.303 22.500 -8.013 497 HB2 GLN 102 2HB GLN 102 26.826 19.558 -8.581 498 HB3 GLN 102 1HB GLN 102 25.560 20.758 -8.316 499 HG2 GLN 102 2HG GLN 102 26.321 22.027 -10.271 500 HG3 GLN 102 1HG GLN 102 27.645 20.890 -10.517 501 HE21 GLN 102 1HE2 GLN 102 25.746 21.262 -12.583 502 HE22 GLN 102 2HE2 GLN 102 24.797 19.862 -12.727 503 H LEU 103 HN LEU 103 26.150 22.559 -6.045 504 HA LEU 103 HA LEU 103 27.079 20.618 -3.967 505 HG LEU 103 HG LEU 103 28.210 21.118 -2.470 506 HB2 LEU 103 2HB LEU 103 27.413 23.452 -4.046 507 HB3 LEU 103 1HB LEU 103 26.265 23.080 -2.759 508 HD11 LEU 103 1HD1 LEU 103 29.962 21.942 -3.700 509 HD12 LEU 103 2HD1 LEU 103 30.213 22.918 -2.254 510 HD13 LEU 103 3HD1 LEU 103 29.360 23.598 -3.640 511 HD21 LEU 103 3HD2 LEU 103 28.728 22.265 -0.414 512 HD22 LEU 103 1HD2 LEU 103 27.015 22.533 -0.740 513 HD23 LEU 103 2HD2 LEU 103 28.187 23.808 -1.074 514 H LYS 104 HN LYS 104 25.450 19.596 -2.895 515 HA LYS 104 HA LYS 104 22.688 20.705 -3.213 516 HB2 LYS 104 2HB LYS 104 23.604 17.820 -3.008 517 HB3 LYS 104 1HB LYS 104 21.916 18.332 -3.008 518 HG2 LYS 104 2HG LYS 104 22.288 19.422 -5.223 519 HG3 LYS 104 1HG LYS 104 23.933 18.788 -5.228 520 HD2 LYS 104 2HD LYS 104 23.003 16.479 -5.039 521 HD3 LYS 104 1HD LYS 104 21.378 17.155 -5.151 522 HE2 LYS 104 2HE LYS 104 23.053 18.184 -7.280 523 HE3 LYS 104 1HE LYS 104 23.052 16.420 -7.293 524 HZ1 LYS 104 3HZ LYS 104 20.469 16.948 -6.863 525 HZ2 LYS 104 1HZ LYS 104 21.139 16.695 -8.401 526 HZ3 LYS 104 2HZ LYS 104 20.898 18.278 -7.830 527 H VAL 105 HN VAL 105 21.706 21.244 -1.319 528 HA VAL 105 HA VAL 105 22.969 20.276 1.205 529 HB VAL 105 HB VAL 105 21.046 22.593 0.889 530 HG11 VAL 105 1HG1 VAL 105 21.146 22.104 3.161 531 HG12 VAL 105 2HG1 VAL 105 22.502 23.222 3.010 532 HG13 VAL 105 3HG1 VAL 105 22.793 21.484 3.059 533 HG21 VAL 105 3HG2 VAL 105 22.703 23.737 -0.119 534 HG22 VAL 105 1HG2 VAL 105 23.791 22.356 0.020 535 HG23 VAL 105 2HG2 VAL 105 23.677 23.525 1.335 536 H ASN 106 HN ASN 106 21.665 19.350 2.826 537 HA ASN 106 HA ASN 106 18.767 19.126 2.447 538 HB2 ASN 106 2HB ASN 106 20.571 16.696 2.225 539 HB3 ASN 106 1HB ASN 106 18.822 16.619 2.437 540 HD21 ASN 106 1HD2 ASN 106 20.986 16.223 0.057 541 HD22 ASN 106 2HD2 ASN 106 20.148 16.888 -1.260 542 H ILE 107 HN ILE 107 18.285 17.017 4.196 543 HA ILE 107 HA ILE 107 19.393 18.139 6.724 544 HB ILE 107 HB ILE 107 17.018 16.290 6.348 545 HG12 ILE 107 1HG1 ILE 107 16.489 18.345 5.226 546 HG13 ILE 107 2HG1 ILE 107 15.715 18.427 6.808 547 HG21 ILE 107 1HG2 ILE 107 16.972 16.220 8.598 548 HG22 ILE 107 2HG2 ILE 107 16.955 17.982 8.673 549 HG23 ILE 107 3HG2 ILE 107 18.491 17.116 8.632 550 HD11 ILE 107 3HD1 ILE 107 18.044 19.960 5.750 551 HD12 ILE 107 1HD1 ILE 107 18.089 19.510 7.455 552 HD13 ILE 107 2HD1 ILE 107 16.753 20.481 6.834 553 H ALA 108 HN ALA 108 20.656 16.878 8.048 554 HA ALA 108 HA ALA 108 21.081 14.044 7.185 555 HB1 ALA 108 1HB ALA 108 23.349 14.226 8.011 556 HB2 ALA 108 2HB ALA 108 23.020 15.815 8.700 557 HB3 ALA 108 3HB ALA 108 23.050 15.602 6.949 558 H ARG 109 HN ARG 109 22.664 13.555 9.641 559 HA ARG 109 HA ARG 109 20.785 12.377 11.308 560 HE ARG 109 HE ARG 109 23.287 8.471 11.299 561 HB2 ARG 109 2HB ARG 109 23.375 13.716 12.149 562 HB3 ARG 109 1HB ARG 109 22.469 12.564 13.129 563 HG2 ARG 109 2HG ARG 109 23.584 11.982 10.369 564 HG3 ARG 109 1HG ARG 109 24.337 11.482 11.883 565 HD2 ARG 109 2HD ARG 109 22.257 10.233 12.462 566 HD3 ARG 109 1HD ARG 109 21.586 10.672 10.891 567 HH11 ARG 109 1HH1 ARG 109 22.102 10.354 8.857 568 HH12 ARG 109 2HH1 ARG 109 23.409 10.096 7.749 569 HH21 ARG 109 1HH2 ARG 109 25.438 8.543 10.092 570 HH22 ARG 109 2HH2 ARG 109 25.297 9.070 8.449 571 H LYS 110 HN LYS 110 19.652 13.054 13.203 572 HA LYS 110 HA LYS 110 18.733 15.807 13.127 573 HB2 LYS 110 2HB LYS 110 18.246 13.581 15.129 574 HB3 LYS 110 1HB LYS 110 17.418 15.139 15.149 575 HG2 LYS 110 2HG LYS 110 16.599 14.699 12.839 576 HG3 LYS 110 1HG LYS 110 17.362 13.111 12.894 577 HD2 LYS 110 2HD LYS 110 15.983 12.583 14.923 578 HD3 LYS 110 1HD LYS 110 15.146 14.120 14.701 579 HE2 LYS 110 2HE LYS 110 14.605 13.334 12.335 580 HE3 LYS 110 1HE LYS 110 15.178 11.742 12.830 581 HZ1 LYS 110 3HZ LYS 110 13.291 13.011 14.628 582 HZ2 LYS 110 1HZ LYS 110 13.387 11.397 14.114 583 HZ3 LYS 110 2HZ LYS 110 12.662 12.564 13.114 584 H GLN 111 HN GLN 111 21.532 14.494 14.325 585 HA GLN 111 HA GLN 111 23.157 15.315 15.802 586 HB2 GLN 111 2HB GLN 111 22.676 17.453 14.613 587 HB3 GLN 111 1HB GLN 111 21.410 17.796 15.793 588 HG2 GLN 111 2HG GLN 111 23.650 18.883 16.284 589 HG3 GLN 111 1HG GLN 111 23.004 17.892 17.592 590 HE21 GLN 111 1HE2 GLN 111 24.617 16.789 14.577 591 HE22 GLN 111 2HE2 GLN 111 25.901 16.006 15.365 592 HA PRO 112 HA PRO 112 20.660 14.127 19.455 593 HB2 PRO 112 2HB PRO 112 22.679 12.807 20.674 594 HB3 PRO 112 1HB PRO 112 21.679 12.077 19.415 595 HG2 PRO 112 2HG PRO 112 24.408 13.296 19.205 596 HG3 PRO 112 1HG PRO 112 23.797 11.807 18.477 597 HD2 PRO 112 1HD PRO 112 24.012 14.110 17.075 598 HD3 PRO 112 2HD PRO 112 22.740 12.931 16.754 599 H MET 113 HN MET 113 23.777 15.732 19.222 600 HA MET 113 HA MET 113 24.349 16.444 21.835 601 HB2 MET 113 2HB MET 113 25.821 17.259 20.183 602 HB3 MET 113 1HB MET 113 24.522 17.990 19.250 603 HG2 MET 113 2HG MET 113 24.425 19.248 21.777 604 HG3 MET 113 1HG MET 113 26.131 19.142 21.368 605 HE1 MET 113 3HE MET 113 23.036 19.055 19.535 606 HE2 MET 113 1HE MET 113 23.465 19.851 18.015 607 HE3 MET 113 2HE MET 113 22.608 20.743 19.270 608 H LEU 114 HN LEU 114 21.629 17.460 19.891 609 HA LEU 114 HA LEU 114 20.171 18.390 22.190 610 HG LEU 114 HG LEU 114 19.220 20.292 22.627 611 HB2 LEU 114 2HB LEU 114 21.840 20.291 21.769 612 HB3 LEU 114 1HB LEU 114 20.958 20.588 20.271 613 HD11 LEU 114 1HD1 LEU 114 21.568 21.735 23.054 614 HD12 LEU 114 2HD1 LEU 114 20.075 21.885 23.983 615 HD13 LEU 114 3HD1 LEU 114 20.383 22.971 22.627 616 HD21 LEU 114 3HD2 LEU 114 19.174 21.453 20.061 617 HD22 LEU 114 1HD2 LEU 114 19.102 22.808 21.189 618 HD23 LEU 114 2HD2 LEU 114 17.897 21.522 21.277 619 H ASP 115 HN ASP 115 19.934 16.722 19.725 620 HA ASP 115 HA ASP 115 18.407 16.346 17.969 621 HB2 ASP 115 2HB ASP 115 16.643 17.824 19.950 622 HB3 ASP 115 1HB ASP 115 16.060 16.846 18.602 623 H ALA 116 HN ALA 116 20.023 18.738 17.731 624 HA ALA 116 HA ALA 116 20.119 20.493 16.154 625 HB1 ALA 116 1HB ALA 116 18.676 20.274 14.441 626 HB2 ALA 116 2HB ALA 116 17.325 20.739 15.473 627 HB3 ALA 116 3HB ALA 116 17.821 19.049 15.377 628 H ALA 117 HN ALA 117 16.757 20.896 17.237 629 HA ALA 117 HA ALA 117 17.327 22.735 19.349 630 HB1 ALA 117 1HB ALA 117 17.479 24.756 18.339 631 HB2 ALA 117 2HB ALA 117 16.169 24.374 17.219 632 HB3 ALA 117 3HB ALA 117 17.816 23.852 16.861 633 H THR 118 HN THR 118 15.464 20.560 18.542 634 HA THR 118 HA THR 118 12.867 21.645 18.039 635 HB THR 118 HB THR 118 13.275 19.274 17.708 636 HG1 THR 118 1HG THR 118 11.231 19.307 18.223 637 HG21 THR 118 3HG2 THR 118 14.396 17.982 19.184 638 HG22 THR 118 1HG2 THR 118 13.391 18.516 20.531 639 HG23 THR 118 2HG2 THR 118 14.778 19.482 20.029 640 H GLY 119 HN GLY 119 14.698 21.111 21.009 641 HA2 GLY 119 1HA GLY 119 12.418 21.816 22.714 642 HA3 GLY 119 2HA GLY 119 14.067 21.515 23.262 643 H LYS 120 HN LYS 120 12.959 23.638 24.431 644 HA LYS 120 HA LYS 120 12.976 26.130 23.101 645 HB2 LYS 120 2HB LYS 120 12.181 25.751 25.445 646 HB3 LYS 120 1HB LYS 120 13.864 25.609 25.955 647 HG2 LYS 120 2HG LYS 120 14.297 27.895 25.075 648 HG3 LYS 120 1HG LYS 120 12.593 28.032 24.643 649 HD2 LYS 120 2HD LYS 120 12.004 27.638 27.045 650 HD3 LYS 120 1HD LYS 120 13.726 27.656 27.432 651 HE2 LYS 120 2HE LYS 120 13.779 29.910 27.401 652 HE3 LYS 120 1HE LYS 120 13.004 29.959 25.818 653 HZ1 LYS 120 3HZ LYS 120 10.936 30.109 26.726 654 HZ2 LYS 120 1HZ LYS 120 11.820 30.920 27.925 655 HZ3 LYS 120 2HZ LYS 120 11.366 29.299 28.156 656 H SER 121 HN SER 121 15.650 24.248 24.458 657 HA SER 121 HA SER 121 17.567 25.577 22.753 658 HG SER 121 HG SER 121 19.761 26.159 24.569 659 HB2 SER 121 2HB SER 121 17.173 27.310 24.561 660 HB3 SER 121 1HB SER 121 17.836 26.154 25.715 Start of MODEL 9 1 H ALA 35 HN ALA 35 23.444 22.858 29.068 2 HA ALA 35 HA ALA 35 25.304 24.584 27.601 3 HB1 ALA 35 1HB ALA 35 25.417 21.746 27.246 4 HB2 ALA 35 2HB ALA 35 26.307 22.990 26.369 5 HB3 ALA 35 3HB ALA 35 24.730 22.456 25.785 6 HA PRO 36 HA PRO 36 20.803 25.279 26.700 7 HB2 PRO 36 2HB PRO 36 20.993 27.974 26.700 8 HB3 PRO 36 1HB PRO 36 20.753 27.029 28.172 9 HG2 PRO 36 2HG PRO 36 23.273 28.210 27.063 10 HG3 PRO 36 1HG PRO 36 22.698 28.185 28.734 11 HD2 PRO 36 2HD PRO 36 24.577 26.460 27.828 12 HD3 PRO 36 1HD PRO 36 23.422 26.018 29.085 13 H ARG 37 HN ARG 37 23.788 26.179 25.190 14 HA ARG 37 HA ARG 37 22.845 27.613 22.930 15 HE ARG 37 HE ARG 37 28.252 28.419 24.822 16 HB2 ARG 37 2HB ARG 37 25.167 25.676 23.171 17 HB3 ARG 37 1HB ARG 37 24.905 26.750 21.797 18 HG2 ARG 37 2HG ARG 37 24.970 28.698 23.349 19 HG3 ARG 37 1HG ARG 37 25.325 27.597 24.680 20 HD2 ARG 37 2HD ARG 37 27.340 26.810 23.371 21 HD3 ARG 37 1HD ARG 37 27.026 28.114 22.226 22 HH11 ARG 37 1HH1 ARG 37 26.383 29.872 22.323 23 HH12 ARG 37 2HH1 ARG 37 26.574 31.482 22.930 24 HH21 ARG 37 1HH2 ARG 37 28.390 30.503 25.716 25 HH22 ARG 37 2HH2 ARG 37 27.710 31.839 24.850 26 H LYS 38 HN LYS 38 21.993 26.939 20.953 27 HA LYS 38 HA LYS 38 21.046 24.117 20.882 28 HB2 LYS 38 2HB LYS 38 20.198 26.498 19.202 29 HB3 LYS 38 1HB LYS 38 19.446 24.903 19.192 30 HG2 LYS 38 2HG LYS 38 18.996 25.202 21.663 31 HG3 LYS 38 1HG LYS 38 19.543 26.870 21.495 32 HD2 LYS 38 2HD LYS 38 17.810 27.173 19.689 33 HD3 LYS 38 1HD LYS 38 17.199 25.568 20.084 34 HE2 LYS 38 2HE LYS 38 15.998 27.493 21.230 35 HE3 LYS 38 1HE LYS 38 16.616 26.244 22.312 36 HZ1 LYS 38 3HZ LYS 38 17.081 28.762 22.763 37 HZ2 LYS 38 1HZ LYS 38 18.347 28.517 21.663 38 HZ3 LYS 38 2HZ LYS 38 18.267 27.588 23.083 39 H GLY 39 HN GLY 39 20.708 23.721 18.181 40 HA2 GLY 39 1HA GLY 39 22.932 24.493 16.550 41 HA3 GLY 39 2HA GLY 39 23.281 22.937 17.299 42 H ASN 40 HN ASN 40 23.080 22.976 14.573 43 HA ASN 40 HA ASN 40 20.838 21.168 14.118 44 HB2 ASN 40 2HB ASN 40 19.723 23.366 13.837 45 HB3 ASN 40 1HB ASN 40 20.917 23.807 12.617 46 HD21 ASN 40 1HD2 ASN 40 18.934 23.952 11.145 47 HD22 ASN 40 2HD2 ASN 40 18.362 22.522 10.431 48 H THR 41 HN THR 41 21.977 19.596 13.083 49 HA THR 41 HA THR 41 24.306 20.225 11.447 50 HB THR 41 HB THR 41 22.865 17.576 11.714 51 HG1 THR 41 1HG THR 41 25.037 18.592 13.222 52 HG21 THR 41 3HG2 THR 41 25.780 18.155 11.152 53 HG22 THR 41 1HG2 THR 41 24.589 17.914 9.874 54 HG23 THR 41 2HG2 THR 41 24.941 16.611 11.009 55 H LEU 42 HN LEU 42 24.496 19.848 9.175 56 HA LEU 42 HA LEU 42 21.894 19.627 7.716 57 HG LEU 42 HG LEU 42 21.604 21.826 8.339 58 HB2 LEU 42 2HB LEU 42 24.255 21.414 7.043 59 HB3 LEU 42 1HB LEU 42 22.831 21.197 6.027 60 HD11 LEU 42 1HD1 LEU 42 24.420 22.768 8.552 61 HD12 LEU 42 2HD1 LEU 42 23.284 22.327 9.826 62 HD13 LEU 42 3HD1 LEU 42 23.165 23.903 9.045 63 HD21 LEU 42 3HD2 LEU 42 22.348 23.183 5.907 64 HD22 LEU 42 1HD2 LEU 42 22.370 24.330 7.247 65 HD23 LEU 42 2HD2 LEU 42 20.906 23.410 6.896 66 H TYR 43 HN TYR 43 22.054 18.566 5.636 67 HA TYR 43 HA TYR 43 24.491 16.853 5.415 68 HD1 TYR 43 HD1 TYR 43 22.500 16.095 2.047 69 HD2 TYR 43 HD2 TYR 43 24.019 13.797 5.344 70 HE1 TYR 43 HE1 TYR 43 23.465 14.454 0.458 71 HE2 TYR 43 HE2 TYR 43 24.985 12.157 3.755 72 HH TYR 43 HH TYR 43 24.835 12.688 0.248 73 HB2 TYR 43 2HB TYR 43 22.433 15.573 5.717 74 HB3 TYR 43 1HB TYR 43 21.674 16.425 4.373 75 H VAL 44 HN VAL 44 25.873 17.689 3.923 76 HA VAL 44 HA VAL 44 24.697 18.965 1.490 77 HB VAL 44 HB VAL 44 27.451 19.256 2.730 78 HG11 VAL 44 1HG1 VAL 44 27.884 19.603 0.473 79 HG12 VAL 44 2HG1 VAL 44 27.393 21.225 0.961 80 HG13 VAL 44 3HG1 VAL 44 26.246 20.167 0.141 81 HG21 VAL 44 3HG2 VAL 44 25.159 20.395 3.601 82 HG22 VAL 44 1HG2 VAL 44 25.597 21.548 2.339 83 HG23 VAL 44 2HG2 VAL 44 26.717 21.220 3.662 84 H TYR 45 HN TYR 45 25.313 18.197 -0.544 85 HA TYR 45 HA TYR 45 27.164 15.847 -0.561 86 HD1 TYR 45 HD1 TYR 45 26.252 13.095 -0.935 87 HD2 TYR 45 HD2 TYR 45 25.609 15.680 -4.305 88 HE1 TYR 45 HE1 TYR 45 27.174 11.356 -2.446 89 HE2 TYR 45 HE2 TYR 45 26.531 13.942 -5.814 90 HH TYR 45 HH TYR 45 26.998 11.663 -5.923 91 HB2 TYR 45 2HB TYR 45 24.823 15.084 -0.763 92 HB3 TYR 45 1HB TYR 45 24.592 16.159 -2.143 93 H GLY 46 HN GLY 46 28.763 16.012 -2.071 94 HA2 GLY 46 1HA GLY 46 28.461 17.235 -4.639 95 HA3 GLY 46 2HA GLY 46 29.227 18.383 -3.541 96 H GLU 47 HN GLU 47 31.061 18.059 -5.148 97 HA GLU 47 HA GLU 47 32.743 15.766 -4.235 98 HB2 GLU 47 2HB GLU 47 32.478 16.792 -7.078 99 HB3 GLU 47 1HB GLU 47 33.627 15.564 -6.545 100 HG2 GLU 47 2HG GLU 47 31.706 14.168 -5.766 101 HG3 GLU 47 1HG GLU 47 30.601 15.371 -6.432 102 H ASP 48 HN ASP 48 35.092 16.206 -4.525 103 HA ASP 48 HA ASP 48 36.887 17.626 -3.947 104 HB2 ASP 48 2HB ASP 48 35.623 19.277 -6.157 105 HB3 ASP 48 1HB ASP 48 37.306 19.343 -5.633 106 H MET 49 HN MET 49 34.960 18.009 -2.080 107 HA MET 49 HA MET 49 34.536 20.956 -1.918 108 HB2 MET 49 2HB MET 49 33.298 18.666 -0.369 109 HB3 MET 49 1HB MET 49 32.959 20.369 -0.064 110 HG2 MET 49 2HG MET 49 32.253 20.577 -2.476 111 HG3 MET 49 1HG MET 49 32.413 18.826 -2.616 112 HE1 MET 49 3HE MET 49 29.885 17.374 -0.206 113 HE2 MET 49 1HE MET 49 31.437 17.944 0.425 114 HE3 MET 49 2HE MET 49 31.355 17.176 -1.159 115 H THR 50 HN THR 50 35.346 22.122 -0.139 116 HA THR 50 HA THR 50 37.269 20.612 1.586 117 HB THR 50 HB THR 50 38.048 23.270 1.694 118 HG1 THR 50 1HG THR 50 37.391 22.588 -0.977 119 HG21 THR 50 3HG2 THR 50 39.774 22.379 -0.092 120 HG22 THR 50 1HG2 THR 50 38.961 20.840 0.195 121 HG23 THR 50 2HG2 THR 50 39.741 21.688 1.530 122 HA PRO 51 HA PRO 51 35.137 22.062 5.183 123 HB2 PRO 51 2HB PRO 51 37.162 22.640 6.878 124 HB3 PRO 51 1HB PRO 51 36.705 20.987 6.455 125 HG2 PRO 51 2HG PRO 51 38.935 22.675 5.383 126 HG3 PRO 51 1HG PRO 51 38.949 20.967 5.832 127 HD2 PRO 51 1HD PRO 51 38.759 21.783 3.258 128 HD3 PRO 51 2HD PRO 51 37.995 20.302 3.837 129 H THR 52 HN THR 52 38.017 24.141 4.672 130 HA THR 52 HA THR 52 36.944 26.463 5.888 131 HB THR 52 HB THR 52 38.821 26.416 3.506 132 HG1 THR 52 1HG THR 52 39.197 25.889 6.245 133 HG21 THR 52 3HG2 THR 52 38.842 28.639 3.829 134 HG22 THR 52 1HG2 THR 52 39.510 28.360 5.437 135 HG23 THR 52 2HG2 THR 52 37.765 28.481 5.217 136 H LEU 53 HN LEU 53 36.804 25.397 2.486 137 HA LEU 53 HA LEU 53 35.409 27.658 1.469 138 HG LEU 53 HG LEU 53 34.971 26.035 -1.711 139 HB2 LEU 53 2HB LEU 53 36.468 25.714 0.163 140 HB3 LEU 53 1HB LEU 53 34.985 24.824 0.502 141 HD11 LEU 53 1HD1 LEU 53 32.714 26.355 -1.531 142 HD12 LEU 53 2HD1 LEU 53 32.873 27.397 -0.117 143 HD13 LEU 53 3HD1 LEU 53 32.954 25.645 0.066 144 HD21 LEU 53 3HD2 LEU 53 34.452 28.609 -0.342 145 HD22 LEU 53 1HD2 LEU 53 35.285 28.291 -1.864 146 HD23 LEU 53 2HD2 LEU 53 36.133 28.076 -0.332 147 H LEU 54 HN LEU 54 34.151 24.564 2.747 148 HA LEU 54 HA LEU 54 31.391 25.159 2.410 149 HG LEU 54 HG LEU 54 32.872 22.990 1.925 150 HB2 LEU 54 2HB LEU 54 32.785 23.477 4.514 151 HB3 LEU 54 1HB LEU 54 31.042 23.492 4.251 152 HD11 LEU 54 1HD1 LEU 54 32.789 20.569 2.423 153 HD12 LEU 54 2HD1 LEU 54 31.981 20.914 3.952 154 HD13 LEU 54 3HD1 LEU 54 33.641 21.449 3.692 155 HD21 LEU 54 3HD2 LEU 54 30.627 23.174 1.264 156 HD22 LEU 54 1HD2 LEU 54 30.034 22.376 2.721 157 HD23 LEU 54 2HD2 LEU 54 30.825 21.432 1.459 158 H ARG 55 HN ARG 55 33.455 25.592 5.305 159 HA ARG 55 HA ARG 55 31.640 26.748 7.051 160 HE ARG 55 HE ARG 55 34.248 26.957 10.505 161 HB2 ARG 55 2HB ARG 55 34.517 27.538 6.521 162 HB3 ARG 55 1HB ARG 55 33.582 28.143 7.888 163 HG2 ARG 55 2HG ARG 55 33.207 25.827 8.657 164 HG3 ARG 55 1HG ARG 55 34.141 25.221 7.289 165 HD2 ARG 55 2HD ARG 55 35.673 25.278 9.113 166 HD3 ARG 55 1HD ARG 55 36.056 26.702 8.145 167 HH11 ARG 55 1HH1 ARG 55 37.473 27.146 9.503 168 HH12 ARG 55 2HH1 ARG 55 37.764 28.714 10.180 169 HH21 ARG 55 1HH2 ARG 55 34.451 29.239 11.061 170 HH22 ARG 55 2HH2 ARG 55 36.053 29.899 11.062 171 H GLY 56 HN GLY 56 33.301 28.335 4.337 172 HA2 GLY 56 2HA GLY 56 32.286 30.966 4.837 173 HA3 GLY 56 1HA GLY 56 32.865 30.383 3.277 174 H ALA 57 HN ALA 57 31.028 28.241 2.931 175 HA ALA 57 HA ALA 57 28.773 29.654 1.850 176 HB1 ALA 57 1HB ALA 57 28.633 26.721 2.467 177 HB2 ALA 57 2HB ALA 57 29.793 27.285 1.264 178 HB3 ALA 57 3HB ALA 57 28.071 27.588 1.039 179 H PHE 58 HN PHE 58 29.431 28.270 4.969 180 HA PHE 58 HA PHE 58 26.586 28.766 5.751 181 HD1 PHE 58 HD1 PHE 58 29.017 25.744 4.845 182 HD2 PHE 58 HD2 PHE 58 25.045 26.259 6.397 183 HE1 PHE 58 HE1 PHE 58 28.168 24.061 3.232 184 HE2 PHE 58 HE2 PHE 58 24.197 24.577 4.785 185 HZ PHE 58 HZ PHE 58 25.759 23.478 3.203 186 HB2 PHE 58 2HB PHE 58 28.614 26.880 6.992 187 HB3 PHE 58 1HB PHE 58 26.974 27.140 7.586 188 H SER 59 HN SER 59 29.398 30.300 5.783 189 HA SER 59 HA SER 59 29.705 30.954 8.600 190 HG SER 59 HG SER 59 31.820 33.622 6.970 191 HB2 SER 59 2HB SER 59 31.708 31.343 7.559 192 HB3 SER 59 1HB SER 59 30.947 31.795 6.034 193 HA PRO 60 HA PRO 60 27.637 35.138 7.235 194 HB2 PRO 60 2HB PRO 60 26.379 35.178 4.843 195 HB3 PRO 60 1HB PRO 60 28.077 35.616 5.046 196 HG2 PRO 60 2HG PRO 60 26.882 33.037 4.103 197 HG3 PRO 60 1HG PRO 60 28.271 33.919 3.461 198 HD2 PRO 60 2HD PRO 60 28.554 31.770 5.070 199 HD3 PRO 60 1HD PRO 60 29.701 33.108 5.086 200 H PHE 61 HN PHE 61 26.090 32.122 6.197 201 HA PHE 61 HA PHE 61 23.384 33.006 6.594 202 HD1 PHE 61 HD1 PHE 61 21.583 31.392 4.944 203 HD2 PHE 61 HD2 PHE 61 25.803 30.706 4.527 204 HE1 PHE 61 HE1 PHE 61 21.372 31.589 2.482 205 HE2 PHE 61 HE2 PHE 61 25.591 30.902 2.064 206 HZ PHE 61 HZ PHE 61 23.376 31.344 1.041 207 HB2 PHE 61 2HB PHE 61 24.660 30.262 6.631 208 HB3 PHE 61 1HB PHE 61 22.923 30.511 6.803 209 H GLY 62 HN GLY 62 25.784 31.517 8.742 210 HA2 GLY 62 1HA GLY 62 24.685 32.682 11.096 211 HA3 GLY 62 2HA GLY 62 24.076 31.032 10.963 212 H ASN 63 HN ASN 63 25.504 31.165 13.104 213 HA ASN 63 HA ASN 63 28.377 30.757 12.527 214 HB2 ASN 63 2HB ASN 63 26.817 30.786 15.128 215 HB3 ASN 63 1HB ASN 63 28.564 30.572 15.015 216 HD21 ASN 63 1HD2 ASN 63 27.514 32.814 16.404 217 HD22 ASN 63 2HD2 ASN 63 27.849 34.221 15.516 218 H ILE 64 HN ILE 64 29.391 28.758 12.680 219 HA ILE 64 HA ILE 64 27.569 26.415 12.915 220 HB ILE 64 HB ILE 64 30.406 26.543 11.851 221 HG12 ILE 64 2HG1 ILE 64 27.819 26.355 10.288 222 HG13 ILE 64 1HG1 ILE 64 28.671 27.875 10.560 223 HG21 ILE 64 1HG2 ILE 64 28.761 24.373 12.624 224 HG22 ILE 64 2HG2 ILE 64 30.282 24.298 11.735 225 HG23 ILE 64 3HG2 ILE 64 28.753 24.397 10.860 226 HD11 ILE 64 3HD1 ILE 64 29.416 25.565 8.835 227 HD12 ILE 64 1HD1 ILE 64 30.732 26.388 9.670 228 HD13 ILE 64 2HD1 ILE 64 29.679 27.290 8.580 229 H ILE 65 HN ILE 65 27.785 25.003 14.608 230 HA ILE 65 HA ILE 65 29.869 25.629 16.628 231 HB ILE 65 HB ILE 65 28.516 24.384 18.183 232 HG12 ILE 65 2HG1 ILE 65 26.808 23.561 15.816 233 HG13 ILE 65 1HG1 ILE 65 28.003 22.519 16.590 234 HG21 ILE 65 1HG2 ILE 65 26.865 25.942 18.317 235 HG22 ILE 65 2HG2 ILE 65 26.258 25.568 16.703 236 HG23 ILE 65 3HG2 ILE 65 27.639 26.648 16.897 237 HD11 ILE 65 3HD1 ILE 65 25.389 22.598 17.329 238 HD12 ILE 65 1HD1 ILE 65 26.059 23.815 18.416 239 HD13 ILE 65 2HD1 ILE 65 26.695 22.170 18.433 240 H ASP 66 HN ASP 66 29.076 23.277 14.225 241 HA ASP 66 HA ASP 66 31.514 21.774 14.914 242 HB2 ASP 66 2HB ASP 66 29.692 20.693 16.248 243 HB3 ASP 66 1HB ASP 66 28.831 20.370 14.743 244 H LEU 67 HN LEU 67 32.500 21.848 12.950 245 HA LEU 67 HA LEU 67 30.832 21.501 10.506 246 HG LEU 67 HG LEU 67 33.078 23.405 8.442 247 HB2 LEU 67 2HB LEU 67 32.586 23.435 10.912 248 HB3 LEU 67 1HB LEU 67 33.750 22.201 10.434 249 HD11 LEU 67 1HD1 LEU 67 32.486 21.574 7.097 250 HD12 LEU 67 2HD1 LEU 67 31.426 20.891 8.329 251 HD13 LEU 67 3HD1 LEU 67 33.176 20.793 8.519 252 HD21 LEU 67 3HD2 LEU 67 30.364 22.816 8.096 253 HD22 LEU 67 1HD2 LEU 67 31.050 24.395 8.478 254 HD23 LEU 67 2HD2 LEU 67 30.491 23.338 9.775 255 H SER 68 HN SER 68 30.775 19.462 9.703 256 HA SER 68 HA SER 68 33.237 17.785 9.988 257 HG SER 68 HG SER 68 31.319 14.954 9.838 258 HB2 SER 68 2HB SER 68 31.380 17.041 11.501 259 HB3 SER 68 1HB SER 68 30.372 16.790 10.074 260 H MET 69 HN MET 69 33.771 16.525 8.171 261 HA MET 69 HA MET 69 32.048 16.929 5.760 262 HB2 MET 69 2HB MET 69 35.072 17.035 5.959 263 HB3 MET 69 1HB MET 69 34.189 16.972 4.434 264 HG2 MET 69 2HG MET 69 32.953 19.043 5.135 265 HG3 MET 69 1HG MET 69 33.999 19.134 6.552 266 HE1 MET 69 3HE MET 69 33.587 18.734 3.008 267 HE2 MET 69 1HE MET 69 35.239 18.322 2.530 268 HE3 MET 69 2HE MET 69 34.610 19.941 2.234 269 H ASP 70 HN ASP 70 32.043 15.149 4.270 270 HA ASP 70 HA ASP 70 33.261 12.638 5.352 271 HB2 ASP 70 2HB ASP 70 30.524 13.217 5.110 272 HB3 ASP 70 1HB ASP 70 30.890 12.171 3.739 273 HA PRO 71 HA PRO 71 34.916 13.105 1.130 274 HB2 PRO 71 2HB PRO 71 37.190 11.725 1.598 275 HB3 PRO 71 1HB PRO 71 36.989 13.434 1.983 276 HG2 PRO 71 2HG PRO 71 36.936 11.067 3.779 277 HG3 PRO 71 1HG PRO 71 37.530 12.696 4.091 278 HD2 PRO 71 2HD PRO 71 35.096 11.726 4.972 279 HD3 PRO 71 1HD PRO 71 35.492 13.433 4.793 280 HA PRO 72 HA PRO 72 34.917 8.262 0.810 281 HB2 PRO 72 2HB PRO 72 33.501 6.917 2.664 282 HB3 PRO 72 1HB PRO 72 35.224 7.254 2.837 283 HG2 PRO 72 2HG PRO 72 32.887 8.597 4.106 284 HG3 PRO 72 1HG PRO 72 34.475 8.241 4.785 285 HD2 PRO 72 1HD PRO 72 33.710 10.710 3.869 286 HD3 PRO 72 2HD PRO 72 35.381 10.172 3.976 287 H ARG 73 HN ARG 73 32.146 10.037 2.059 288 HA ARG 73 HA ARG 73 30.392 8.535 0.160 289 HE ARG 73 HE ARG 73 29.588 6.153 4.464 290 HB2 ARG 73 2HB ARG 73 29.666 10.189 2.597 291 HB3 ARG 73 1HB ARG 73 28.508 9.390 1.534 292 HG2 ARG 73 2HG ARG 73 29.608 7.205 2.049 293 HG3 ARG 73 1HG ARG 73 30.656 8.040 3.197 294 HD2 ARG 73 2HD ARG 73 28.561 8.863 4.359 295 HD3 ARG 73 1HD ARG 73 27.641 7.777 3.318 296 HH11 ARG 73 1HH1 ARG 73 29.356 8.055 6.792 297 HH12 ARG 73 2HH1 ARG 73 28.100 7.315 7.728 298 HH21 ARG 73 1HH2 ARG 73 26.999 5.290 5.137 299 HH22 ARG 73 2HH2 ARG 73 26.766 5.749 6.791 300 H ASN 74 HN ASN 74 32.135 11.333 0.343 301 HA ASN 74 HA ASN 74 32.041 13.343 -0.864 302 HB2 ASN 74 2HB ASN 74 29.838 11.903 -2.371 303 HB3 ASN 74 1HB ASN 74 30.693 13.345 -2.918 304 HD21 ASN 74 1HD2 ASN 74 33.226 12.061 -1.574 305 HD22 ASN 74 2HD2 ASN 74 33.754 10.956 -2.746 306 H CYS 75 HN CYS 75 30.664 13.302 1.561 307 HA CYS 75 HA CYS 75 28.502 15.248 0.970 308 HG CYS 75 HG CYS 75 28.869 11.831 3.126 309 HB2 CYS 75 2HB CYS 75 26.943 14.187 2.483 310 HB3 CYS 75 1HB CYS 75 27.474 12.968 1.324 311 H ALA 76 HN ALA 76 28.501 16.940 2.428 312 HA ALA 76 HA ALA 76 30.437 16.717 4.696 313 HB1 ALA 76 1HB ALA 76 30.643 19.169 4.546 314 HB2 ALA 76 2HB ALA 76 29.464 19.193 3.235 315 HB3 ALA 76 3HB ALA 76 31.030 18.416 2.999 316 H PHE 77 HN PHE 77 29.804 17.712 6.723 317 HA PHE 77 HA PHE 77 26.845 18.070 6.981 318 HD1 PHE 77 HD1 PHE 77 29.446 15.087 7.341 319 HD2 PHE 77 HD2 PHE 77 25.313 15.850 8.225 320 HE1 PHE 77 HE1 PHE 77 28.819 12.946 6.257 321 HE2 PHE 77 HE2 PHE 77 24.685 13.710 7.142 322 HZ PHE 77 HZ PHE 77 26.438 12.257 6.158 323 HB2 PHE 77 2HB PHE 77 28.786 16.819 8.948 324 HB3 PHE 77 1HB PHE 77 27.087 17.145 9.287 325 H VAL 78 HN VAL 78 26.241 20.011 7.820 326 HA VAL 78 HA VAL 78 28.337 21.614 9.237 327 HB VAL 78 HB VAL 78 26.048 22.685 7.567 328 HG11 VAL 78 1HG1 VAL 78 28.342 23.895 9.094 329 HG12 VAL 78 2HG1 VAL 78 26.644 24.371 9.086 330 HG13 VAL 78 3HG1 VAL 78 27.668 24.734 7.698 331 HG21 VAL 78 3HG2 VAL 78 28.670 21.650 6.819 332 HG22 VAL 78 1HG2 VAL 78 28.476 23.340 6.354 333 HG23 VAL 78 2HG2 VAL 78 27.324 22.132 5.787 334 H THR 79 HN THR 79 27.730 22.508 11.198 335 HA THR 79 HA THR 79 24.979 21.827 12.136 336 HB THR 79 HB THR 79 27.173 22.670 13.995 337 HG1 THR 79 1HG THR 79 26.854 20.040 12.998 338 HG21 THR 79 3HG2 THR 79 24.789 22.208 14.706 339 HG22 THR 79 1HG2 THR 79 26.005 21.234 15.532 340 HG23 THR 79 2HG2 THR 79 25.047 20.529 14.230 341 H TYR 80 HN TYR 80 23.619 23.460 12.802 342 HA TYR 80 HA TYR 80 24.752 26.231 12.805 343 HD1 TYR 80 HD1 TYR 80 24.809 27.849 11.901 344 HD2 TYR 80 HD2 TYR 80 22.342 25.560 9.234 345 HE1 TYR 80 HE1 TYR 80 25.907 28.930 9.959 346 HE2 TYR 80 HE2 TYR 80 23.440 26.640 7.291 347 HH TYR 80 HH TYR 80 25.842 29.217 7.741 348 HB2 TYR 80 2HB TYR 80 22.323 25.080 11.541 349 HB3 TYR 80 1HB TYR 80 22.121 26.654 12.310 350 H GLU 81 HN GLU 81 24.659 27.143 14.789 351 HA GLU 81 HA GLU 81 23.704 26.091 17.137 352 HB2 GLU 81 2HB GLU 81 24.932 28.289 16.847 353 HB3 GLU 81 1HB GLU 81 23.376 29.022 16.457 354 HG2 GLU 81 2HG GLU 81 22.481 28.323 18.636 355 HG3 GLU 81 1HG GLU 81 24.010 27.536 19.025 356 H LYS 82 HN LYS 82 21.776 27.890 14.755 357 HA LYS 82 HA LYS 82 19.334 26.970 16.222 358 HB2 LYS 82 2HB LYS 82 19.603 29.488 14.552 359 HB3 LYS 82 1HB LYS 82 18.203 29.000 15.506 360 HG2 LYS 82 2HG LYS 82 19.669 29.067 17.554 361 HG3 LYS 82 1HG LYS 82 20.950 29.747 16.550 362 HD2 LYS 82 2HD LYS 82 18.193 30.981 16.741 363 HD3 LYS 82 1HD LYS 82 19.522 31.446 17.803 364 HE2 LYS 82 2HE LYS 82 20.385 31.394 15.032 365 HE3 LYS 82 1HE LYS 82 18.991 32.456 15.234 366 HZ1 LYS 82 3HZ LYS 82 21.460 32.542 16.881 367 HZ2 LYS 82 1HZ LYS 82 20.132 33.587 17.020 368 HZ3 LYS 82 2HZ LYS 82 21.089 33.614 15.616 369 H MET 83 HN MET 83 17.433 26.666 14.747 370 HA MET 83 HA MET 83 18.270 25.221 12.346 371 HB2 MET 83 2HB MET 83 15.432 25.838 13.191 372 HB3 MET 83 1HB MET 83 15.998 24.499 12.195 373 HG2 MET 83 2HG MET 83 17.129 24.766 14.950 374 HG3 MET 83 1HG MET 83 15.477 24.169 14.790 375 HE1 MET 83 3HE MET 83 18.846 21.642 15.058 376 HE2 MET 83 1HE MET 83 17.471 22.036 16.098 377 HE3 MET 83 2HE MET 83 18.568 23.307 15.565 378 H GLU 84 HN GLU 84 17.360 28.428 13.076 379 HA GLU 84 HA GLU 84 16.068 29.108 10.582 380 HB2 GLU 84 2HB GLU 84 17.534 30.809 12.621 381 HB3 GLU 84 1HB GLU 84 16.639 31.466 11.250 382 HG2 GLU 84 2HG GLU 84 14.599 30.271 12.074 383 HG3 GLU 84 1HG GLU 84 15.512 29.766 13.496 384 H SER 85 HN SER 85 19.428 29.069 11.691 385 HA SER 85 HA SER 85 20.490 30.399 9.348 386 HG SER 85 HG SER 85 22.865 30.355 9.415 387 HB2 SER 85 2HB SER 85 21.758 30.306 11.452 388 HB3 SER 85 1HB SER 85 21.835 28.547 11.341 389 H ALA 86 HN ALA 86 19.768 27.060 10.192 390 HA ALA 86 HA ALA 86 21.145 25.961 7.862 391 HB1 ALA 86 1HB ALA 86 20.524 24.813 10.156 392 HB2 ALA 86 2HB ALA 86 20.495 23.869 8.665 393 HB3 ALA 86 3HB ALA 86 18.990 24.487 9.347 394 H ASP 87 HN ASP 87 17.881 27.021 8.647 395 HA ASP 87 HA ASP 87 16.620 25.831 6.333 396 HB2 ASP 87 2HB ASP 87 15.398 26.616 8.386 397 HB3 ASP 87 1HB ASP 87 15.726 28.276 7.888 398 H GLN 88 HN GLN 88 17.847 29.119 7.022 399 HA GLN 88 HA GLN 88 17.204 30.149 4.407 400 HB2 GLN 88 2HB GLN 88 17.604 31.621 6.352 401 HB3 GLN 88 1HB GLN 88 19.286 31.097 6.400 402 HG2 GLN 88 2HG GLN 88 19.648 31.996 4.142 403 HG3 GLN 88 1HG GLN 88 17.958 32.489 4.059 404 HE21 GLN 88 1HE2 GLN 88 19.685 34.568 3.752 405 HE22 GLN 88 2HE2 GLN 88 19.807 35.497 5.167 406 H ALA 89 HN ALA 89 20.156 28.733 5.812 407 HA ALA 89 HA ALA 89 21.784 29.162 3.476 408 HB1 ALA 89 1HB ALA 89 22.268 28.297 6.031 409 HB2 ALA 89 2HB ALA 89 23.424 28.177 4.705 410 HB3 ALA 89 3HB ALA 89 22.412 26.794 5.119 411 H VAL 90 HN VAL 90 19.781 26.429 4.575 412 HA VAL 90 HA VAL 90 20.518 24.599 2.522 413 HB VAL 90 HB VAL 90 17.934 24.931 4.069 414 HG11 VAL 90 1HG1 VAL 90 17.156 23.727 2.243 415 HG12 VAL 90 2HG1 VAL 90 17.765 22.412 3.247 416 HG13 VAL 90 3HG1 VAL 90 18.735 23.019 1.905 417 HG21 VAL 90 3HG2 VAL 90 18.913 23.635 5.647 418 HG22 VAL 90 1HG2 VAL 90 20.437 24.020 4.844 419 HG23 VAL 90 2HG2 VAL 90 19.578 22.532 4.442 420 H ALA 91 HN ALA 91 18.146 27.227 2.573 421 HA ALA 91 HA ALA 91 17.017 26.539 -0.016 422 HB1 ALA 91 1HB ALA 91 16.129 28.085 2.000 423 HB2 ALA 91 2HB ALA 91 15.584 28.301 0.337 424 HB3 ALA 91 3HB ALA 91 16.853 29.337 0.990 425 H GLU 92 HN GLU 92 19.163 29.197 1.069 426 HA GLU 92 HA GLU 92 19.703 30.114 -1.604 427 HB2 GLU 92 2HB GLU 92 21.309 30.480 0.944 428 HB3 GLU 92 1HB GLU 92 21.548 31.388 -0.549 429 HG2 GLU 92 2HG GLU 92 18.953 31.310 1.021 430 HG3 GLU 92 1HG GLU 92 20.135 32.616 1.105 431 H LEU 93 HN LEU 93 21.512 27.984 0.620 432 HA LEU 93 HA LEU 93 23.726 27.573 -1.167 433 HG LEU 93 HG LEU 93 23.253 28.070 1.781 434 HB2 LEU 93 2HB LEU 93 22.663 25.779 1.036 435 HB3 LEU 93 1HB LEU 93 24.245 25.632 0.272 436 HD11 LEU 93 1HD1 LEU 93 23.691 26.495 3.458 437 HD12 LEU 93 2HD1 LEU 93 25.257 27.289 3.282 438 HD13 LEU 93 3HD1 LEU 93 24.974 25.719 2.529 439 HD21 LEU 93 3HD2 LEU 93 24.810 28.931 0.284 440 HD22 LEU 93 1HD2 LEU 93 25.720 27.422 0.203 441 HD23 LEU 93 2HD2 LEU 93 25.866 28.466 1.617 442 H ASN 94 HN ASN 94 20.658 25.849 -0.685 443 HA ASN 94 HA ASN 94 21.306 23.722 -2.545 444 HB2 ASN 94 2HB ASN 94 19.573 23.528 -0.752 445 HB3 ASN 94 1HB ASN 94 18.577 24.676 -1.644 446 HD21 ASN 94 1HD2 ASN 94 17.326 22.310 -1.366 447 HD22 ASN 94 2HD2 ASN 94 17.418 21.361 -2.770 448 H GLY 95 HN GLY 95 21.428 23.970 -4.719 449 HA2 GLY 95 2HA GLY 95 20.301 24.529 -6.826 450 HA3 GLY 95 1HA GLY 95 19.578 25.920 -6.017 451 H THR 96 HN THR 96 22.816 25.500 -5.120 452 HA THR 96 HA THR 96 23.611 27.685 -6.995 453 HB THR 96 HB THR 96 25.224 28.364 -5.347 454 HG1 THR 96 1HG THR 96 24.466 26.123 -3.799 455 HG21 THR 96 3HG2 THR 96 22.689 28.753 -4.941 456 HG22 THR 96 1HG2 THR 96 23.801 29.042 -3.603 457 HG23 THR 96 2HG2 THR 96 22.865 27.549 -3.665 458 H GLN 97 HN GLN 97 25.811 27.572 -7.878 459 HA GLN 97 HA GLN 97 26.913 24.793 -7.947 460 HB2 GLN 97 2HB GLN 97 25.618 25.434 -10.038 461 HB3 GLN 97 1HB GLN 97 26.840 26.675 -10.321 462 HG2 GLN 97 2HG GLN 97 28.597 24.966 -10.374 463 HG3 GLN 97 1HG GLN 97 27.412 23.710 -10.016 464 HE21 GLN 97 1HE2 GLN 97 28.777 23.319 -12.356 465 HE22 GLN 97 2HE2 GLN 97 27.816 23.701 -13.702 466 H VAL 98 HN VAL 98 29.190 24.675 -8.038 467 HA VAL 98 HA VAL 98 30.575 27.133 -7.182 468 HB VAL 98 HB VAL 98 32.030 24.563 -7.662 469 HG11 VAL 98 1HG1 VAL 98 32.682 26.962 -6.525 470 HG12 VAL 98 2HG1 VAL 98 33.487 25.439 -6.145 471 HG13 VAL 98 3HG1 VAL 98 32.193 26.037 -5.105 472 HG21 VAL 98 3HG2 VAL 98 29.978 25.036 -5.484 473 HG22 VAL 98 1HG2 VAL 98 31.234 23.801 -5.378 474 HG23 VAL 98 2HG2 VAL 98 30.016 23.713 -6.650 475 H GLU 99 HN GLU 99 33.141 26.131 -8.380 476 HA GLU 99 HA GLU 99 33.094 27.686 -10.780 477 HB2 GLU 99 2HB GLU 99 35.067 25.592 -9.821 478 HB3 GLU 99 1HB GLU 99 35.345 26.663 -11.194 479 HG2 GLU 99 2HG GLU 99 35.035 28.623 -9.686 480 HG3 GLU 99 1HG GLU 99 34.861 27.516 -8.323 481 H SER 100 HN SER 100 32.936 24.172 -10.226 482 HA SER 100 HA SER 100 31.614 23.858 -12.839 483 HG SER 100 HG SER 100 32.789 23.566 -14.564 484 HB2 SER 100 2HB SER 100 34.415 23.042 -12.309 485 HB3 SER 100 1HB SER 100 33.403 21.826 -13.087 486 H VAL 101 HN VAL 101 31.158 23.410 -9.862 487 HA VAL 101 HA VAL 101 30.146 20.627 -10.155 488 HB VAL 101 HB VAL 101 31.601 21.672 -7.705 489 HG11 VAL 101 1HG1 VAL 101 31.261 19.475 -6.785 490 HG12 VAL 101 2HG1 VAL 101 30.609 18.873 -8.309 491 HG13 VAL 101 3HG1 VAL 101 29.688 20.036 -7.355 492 HG21 VAL 101 3HG2 VAL 101 33.435 20.337 -8.325 493 HG22 VAL 101 1HG2 VAL 101 32.928 21.042 -9.860 494 HG23 VAL 101 2HG2 VAL 101 32.478 19.385 -9.459 495 H GLN 102 HN GLN 102 28.213 20.242 -8.966 496 HA GLN 102 HA GLN 102 26.826 22.729 -8.125 497 HB2 GLN 102 2HB GLN 102 25.789 21.122 -9.795 498 HB3 GLN 102 1HB GLN 102 25.647 19.962 -8.474 499 HG2 GLN 102 2HG GLN 102 24.308 21.596 -7.191 500 HG3 GLN 102 1HG GLN 102 24.441 22.745 -8.522 501 HE21 GLN 102 1HE2 GLN 102 22.741 22.664 -9.999 502 HE22 GLN 102 2HE2 GLN 102 21.725 21.326 -10.244 503 H LEU 103 HN LEU 103 26.073 23.010 -6.025 504 HA LEU 103 HA LEU 103 27.017 20.986 -4.047 505 HG LEU 103 HG LEU 103 28.390 23.450 -4.906 506 HB2 LEU 103 2HB LEU 103 26.244 23.896 -3.670 507 HB3 LEU 103 1HB LEU 103 26.813 22.823 -2.393 508 HD11 LEU 103 1HD1 LEU 103 28.352 24.705 -2.166 509 HD12 LEU 103 2HD1 LEU 103 28.371 25.497 -3.741 510 HD13 LEU 103 3HD1 LEU 103 29.826 24.708 -3.134 511 HD21 LEU 103 3HD2 LEU 103 28.653 21.534 -2.743 512 HD22 LEU 103 1HD2 LEU 103 30.039 22.623 -2.783 513 HD23 LEU 103 2HD2 LEU 103 29.613 21.686 -4.215 514 H LYS 104 HN LYS 104 25.548 19.978 -2.705 515 HA LYS 104 HA LYS 104 22.680 20.760 -3.048 516 HB2 LYS 104 2HB LYS 104 23.863 18.014 -2.525 517 HB3 LYS 104 1HB LYS 104 22.139 18.376 -2.615 518 HG2 LYS 104 2HG LYS 104 22.470 19.214 -4.939 519 HG3 LYS 104 1HG LYS 104 24.169 18.749 -4.839 520 HD2 LYS 104 2HD LYS 104 23.449 16.398 -4.372 521 HD3 LYS 104 1HD LYS 104 21.776 16.898 -4.623 522 HE2 LYS 104 2HE LYS 104 22.158 17.401 -6.914 523 HE3 LYS 104 1HE LYS 104 23.910 17.377 -6.708 524 HZ1 LYS 104 3HZ LYS 104 23.502 15.331 -7.636 525 HZ2 LYS 104 1HZ LYS 104 22.024 15.124 -6.833 526 HZ3 LYS 104 2HZ LYS 104 23.482 14.946 -5.981 527 H VAL 105 HN VAL 105 21.498 21.069 -1.175 528 HA VAL 105 HA VAL 105 22.931 20.549 1.400 529 HB VAL 105 HB VAL 105 21.077 22.857 0.737 530 HG11 VAL 105 1HG1 VAL 105 20.806 22.419 3.041 531 HG12 VAL 105 2HG1 VAL 105 22.066 23.653 2.999 532 HG13 VAL 105 3HG1 VAL 105 22.497 21.960 3.243 533 HG21 VAL 105 3HG2 VAL 105 24.027 22.483 0.686 534 HG22 VAL 105 1HG2 VAL 105 23.441 23.983 1.405 535 HG23 VAL 105 2HG2 VAL 105 23.016 23.577 -0.258 536 H ASN 106 HN ASN 106 21.677 19.677 3.071 537 HA ASN 106 HA ASN 106 18.766 19.367 2.658 538 HB2 ASN 106 2HB ASN 106 20.692 17.040 2.869 539 HB3 ASN 106 1HB ASN 106 18.954 16.886 3.109 540 HD21 ASN 106 1HD2 ASN 106 18.058 18.679 1.068 541 HD22 ASN 106 2HD2 ASN 106 18.492 18.032 -0.437 542 H ILE 107 HN ILE 107 17.940 17.972 4.682 543 HA ILE 107 HA ILE 107 19.350 19.100 7.067 544 HB ILE 107 HB ILE 107 16.439 18.279 6.878 545 HG12 ILE 107 2HG1 ILE 107 16.737 20.096 5.326 546 HG13 ILE 107 1HG1 ILE 107 16.049 20.784 6.797 547 HG21 ILE 107 1HG2 ILE 107 16.775 20.233 8.818 548 HG22 ILE 107 2HG2 ILE 107 18.231 19.251 8.983 549 HG23 ILE 107 3HG2 ILE 107 16.641 18.500 9.123 550 HD11 ILE 107 3HD1 ILE 107 18.841 21.013 5.721 551 HD12 ILE 107 1HD1 ILE 107 18.585 21.106 7.464 552 HD13 ILE 107 2HD1 ILE 107 17.799 22.267 6.394 553 H ALA 108 HN ALA 108 20.366 17.581 8.272 554 HA ALA 108 HA ALA 108 20.134 14.775 7.819 555 HB1 ALA 108 1HB ALA 108 21.763 16.458 9.361 556 HB2 ALA 108 2HB ALA 108 21.909 14.707 9.210 557 HB3 ALA 108 3HB ALA 108 20.971 15.402 10.532 558 H ARG 109 HN ARG 109 19.144 13.145 9.167 559 HA ARG 109 HA ARG 109 16.482 13.537 9.885 560 HE ARG 109 HE ARG 109 14.250 9.615 11.809 561 HB2 ARG 109 2HB ARG 109 17.626 11.315 9.724 562 HB3 ARG 109 1HB ARG 109 18.394 11.638 11.279 563 HG2 ARG 109 2HG ARG 109 16.181 11.828 12.343 564 HG3 ARG 109 1HG ARG 109 15.401 11.536 10.788 565 HD2 ARG 109 2HD ARG 109 16.594 9.329 10.677 566 HD3 ARG 109 1HD ARG 109 17.188 9.618 12.312 567 HH11 ARG 109 1HH1 ARG 109 16.429 7.216 12.243 568 HH12 ARG 109 2HH1 ARG 109 15.878 6.698 13.801 569 HH21 ARG 109 1HH2 ARG 109 13.810 9.442 14.274 570 HH22 ARG 109 2HH2 ARG 109 14.395 7.959 14.951 571 H LYS 110 HN LYS 110 19.322 13.735 12.050 572 HA LYS 110 HA LYS 110 18.256 15.882 13.592 573 HB2 LYS 110 2HB LYS 110 16.610 14.207 14.338 574 HB3 LYS 110 1HB LYS 110 17.919 13.136 14.838 575 HG2 LYS 110 2HG LYS 110 18.723 14.999 16.360 576 HG3 LYS 110 1HG LYS 110 17.227 15.854 15.983 577 HD2 LYS 110 2HD LYS 110 15.975 13.783 16.745 578 HD3 LYS 110 1HD LYS 110 17.516 13.158 17.333 579 HE2 LYS 110 2HE LYS 110 17.476 14.502 19.152 580 HE3 LYS 110 1HE LYS 110 17.025 15.912 18.194 581 HZ1 LYS 110 3HZ LYS 110 14.745 14.717 18.087 582 HZ2 LYS 110 1HZ LYS 110 15.166 15.597 19.475 583 HZ3 LYS 110 2HZ LYS 110 15.299 13.903 19.471 584 H GLN 111 HN GLN 111 19.755 16.544 15.221 585 HA GLN 111 HA GLN 111 22.316 14.997 15.199 586 HB2 GLN 111 2HB GLN 111 22.340 17.298 14.133 587 HB3 GLN 111 1HB GLN 111 21.984 17.963 15.727 588 HG2 GLN 111 2HG GLN 111 24.415 17.987 15.261 589 HG3 GLN 111 1HG GLN 111 24.034 16.938 16.626 590 HE21 GLN 111 1HE2 GLN 111 24.347 14.640 16.358 591 HE22 GLN 111 2HE2 GLN 111 25.096 13.979 14.987 592 HA PRO 112 HA PRO 112 20.905 14.643 19.544 593 HB2 PRO 112 2HB PRO 112 22.404 12.460 20.086 594 HB3 PRO 112 1HB PRO 112 20.835 12.369 19.282 595 HG2 PRO 112 2HG PRO 112 23.582 12.287 18.095 596 HG3 PRO 112 1HG PRO 112 22.170 11.303 17.699 597 HD2 PRO 112 1HD PRO 112 22.932 13.417 16.186 598 HD3 PRO 112 2HD PRO 112 21.242 12.945 16.365 599 H MET 113 HN MET 113 24.172 14.657 18.217 600 HA MET 113 HA MET 113 25.760 14.850 20.481 601 HB2 MET 113 2HB MET 113 26.873 14.960 18.402 602 HB3 MET 113 1HB MET 113 25.864 16.281 17.826 603 HG2 MET 113 2HG MET 113 27.140 17.248 20.160 604 HG3 MET 113 1HG MET 113 28.378 16.395 19.249 605 HE1 MET 113 3HE MET 113 25.450 18.579 16.858 606 HE2 MET 113 1HE MET 113 25.543 19.594 18.302 607 HE3 MET 113 2HE MET 113 25.193 17.876 18.450 608 H LEU 114 HN LEU 114 23.374 17.127 19.333 609 HA LEU 114 HA LEU 114 23.712 18.673 21.831 610 HG LEU 114 HG LEU 114 22.984 20.959 21.667 611 HB2 LEU 114 2HB LEU 114 25.130 19.880 20.240 612 HB3 LEU 114 1HB LEU 114 23.813 19.924 19.069 613 HD11 LEU 114 1HD1 LEU 114 24.397 22.819 21.885 614 HD12 LEU 114 2HD1 LEU 114 24.992 22.682 20.231 615 HD13 LEU 114 3HD1 LEU 114 25.530 21.537 21.459 616 HD21 LEU 114 3HD2 LEU 114 23.169 22.539 19.121 617 HD22 LEU 114 1HD2 LEU 114 21.892 22.533 20.337 618 HD23 LEU 114 2HD2 LEU 114 22.044 21.183 19.211 619 H ASP 115 HN ASP 115 21.702 16.845 20.523 620 HA ASP 115 HA ASP 115 19.378 16.763 20.155 621 HB2 ASP 115 2HB ASP 115 19.585 19.020 22.170 622 HB3 ASP 115 1HB ASP 115 18.078 18.220 21.726 623 H ALA 116 HN ALA 116 20.961 18.467 18.343 624 HA ALA 116 HA ALA 116 20.661 20.203 16.781 625 HB1 ALA 116 1HB ALA 116 19.136 18.995 15.581 626 HB2 ALA 116 2HB ALA 116 18.017 20.221 16.179 627 HB3 ALA 116 3HB ALA 116 18.137 18.662 16.995 628 H ALA 117 HN ALA 117 17.382 20.735 17.857 629 HA ALA 117 HA ALA 117 17.945 22.800 19.772 630 HB1 ALA 117 1HB ALA 117 17.441 24.770 18.409 631 HB2 ALA 117 2HB ALA 117 17.234 23.756 16.983 632 HB3 ALA 117 3HB ALA 117 18.825 23.919 17.726 633 H THR 118 HN THR 118 15.605 22.847 17.083 634 HA THR 118 HA THR 118 13.378 23.150 18.911 635 HB THR 118 HB THR 118 11.990 23.075 16.921 636 HG1 THR 118 1HG THR 118 14.318 21.950 15.785 637 HG21 THR 118 3HG2 THR 118 13.315 24.687 15.436 638 HG22 THR 118 1HG2 THR 118 14.644 24.474 16.576 639 HG23 THR 118 2HG2 THR 118 13.115 25.161 17.122 640 H GLY 119 HN GLY 119 14.961 20.435 17.373 641 HA2 GLY 119 1HA GLY 119 14.735 18.145 17.917 642 HA3 GLY 119 2HA GLY 119 13.460 18.579 19.056 643 H LYS 120 HN LYS 120 12.101 16.869 18.247 644 HA LYS 120 HA LYS 120 11.305 16.940 15.412 645 HB2 LYS 120 2HB LYS 120 10.347 15.232 17.730 646 HB3 LYS 120 1HB LYS 120 9.843 15.027 16.052 647 HG2 LYS 120 2HG LYS 120 12.240 14.700 15.422 648 HG3 LYS 120 1HG LYS 120 12.668 14.782 17.130 649 HD2 LYS 120 2HD LYS 120 11.132 12.858 17.562 650 HD3 LYS 120 1HD LYS 120 10.839 12.742 15.827 651 HE2 LYS 120 2HE LYS 120 12.592 11.275 15.908 652 HE3 LYS 120 1HE LYS 120 13.554 12.753 15.851 653 HZ1 LYS 120 3HZ LYS 120 13.369 10.855 17.922 654 HZ2 LYS 120 1HZ LYS 120 12.817 12.351 18.499 655 HZ3 LYS 120 2HZ LYS 120 14.369 12.224 17.821 656 H SER 121 HN SER 121 9.275 17.619 14.673 657 HA SER 121 HA SER 121 7.215 18.473 16.581 658 HG SER 121 HG SER 121 9.606 20.879 16.724 659 HB2 SER 121 2HB SER 121 7.808 20.686 14.765 660 HB3 SER 121 1HB SER 121 7.545 20.710 16.508 Start of MODEL 10 1 H ALA 35 HN ALA 35 25.206 20.594 30.748 2 HA ALA 35 HA ALA 35 24.465 22.730 30.009 3 HB1 ALA 35 1HB ALA 35 26.980 23.360 30.313 4 HB2 ALA 35 2HB ALA 35 25.989 24.342 29.234 5 HB3 ALA 35 3HB ALA 35 27.080 23.126 28.567 6 HA PRO 36 HA PRO 36 23.415 20.531 26.138 7 HB2 PRO 36 2HB PRO 36 20.891 21.491 26.027 8 HB3 PRO 36 1HB PRO 36 21.349 20.109 27.024 9 HG2 PRO 36 2HG PRO 36 20.965 22.973 27.815 10 HG3 PRO 36 1HG PRO 36 20.424 21.509 28.644 11 HD2 PRO 36 2HD PRO 36 22.624 22.867 29.430 12 HD3 PRO 36 1HD PRO 36 22.505 21.112 29.575 13 H ARG 37 HN ARG 37 23.594 21.325 24.068 14 HA ARG 37 HA ARG 37 23.257 24.275 23.700 15 HE ARG 37 HE ARG 37 28.057 23.695 25.586 16 HB2 ARG 37 2HB ARG 37 25.369 22.470 22.480 17 HB3 ARG 37 1HB ARG 37 25.124 24.164 22.055 18 HG2 ARG 37 2HG ARG 37 25.528 24.790 24.429 19 HG3 ARG 37 1HG ARG 37 25.846 23.096 24.800 20 HD2 ARG 37 2HD ARG 37 27.662 23.149 23.038 21 HD3 ARG 37 1HD ARG 37 27.421 24.894 22.938 22 HH11 ARG 37 1HH1 ARG 37 30.424 23.866 23.717 23 HH12 ARG 37 2HH1 ARG 37 31.069 25.425 24.112 24 HH21 ARG 37 1HH2 ARG 37 28.200 26.490 25.744 25 HH22 ARG 37 2HH2 ARG 37 29.810 26.910 25.260 26 H LYS 38 HN LYS 38 22.553 24.901 21.548 27 HA LYS 38 HA LYS 38 20.798 22.871 20.334 28 HB2 LYS 38 2HB LYS 38 21.225 25.793 19.635 29 HB3 LYS 38 1HB LYS 38 19.956 24.755 18.982 30 HG2 LYS 38 2HG LYS 38 19.164 24.371 21.344 31 HG3 LYS 38 1HG LYS 38 20.327 25.587 21.874 32 HD2 LYS 38 2HD LYS 38 19.251 27.242 20.367 33 HD3 LYS 38 1HD LYS 38 18.064 26.025 19.900 34 HE2 LYS 38 2HE LYS 38 16.838 26.840 21.631 35 HE3 LYS 38 1HE LYS 38 17.945 25.919 22.650 36 HZ1 LYS 38 3HZ LYS 38 17.680 28.338 23.216 37 HZ2 LYS 38 1HZ LYS 38 18.503 28.694 21.776 38 HZ3 LYS 38 2HZ LYS 38 19.279 27.807 23.000 39 H GLY 39 HN GLY 39 20.839 23.736 17.655 40 HA2 GLY 39 1HA GLY 39 22.946 24.124 16.100 41 HA3 GLY 39 2HA GLY 39 23.441 22.586 16.799 42 H ASN 40 HN ASN 40 23.082 22.674 14.069 43 HA ASN 40 HA ASN 40 20.851 20.787 13.738 44 HB2 ASN 40 2HB ASN 40 19.932 23.156 13.390 45 HB3 ASN 40 1HB ASN 40 20.946 23.223 11.949 46 HD21 ASN 40 1HD2 ASN 40 18.700 23.378 10.857 47 HD22 ASN 40 2HD2 ASN 40 17.913 21.920 10.485 48 H THR 41 HN THR 41 22.269 19.208 13.003 49 HA THR 41 HA THR 41 24.495 19.656 11.283 50 HB THR 41 HB THR 41 22.828 17.133 11.503 51 HG1 THR 41 1HG THR 41 24.822 16.796 12.986 52 HG21 THR 41 3HG2 THR 41 24.318 16.836 9.707 53 HG22 THR 41 1HG2 THR 41 25.201 16.165 11.078 54 HG23 THR 41 2HG2 THR 41 25.587 17.781 10.485 55 H LEU 42 HN LEU 42 24.684 19.669 9.049 56 HA LEU 42 HA LEU 42 22.142 19.397 7.496 57 HG LEU 42 HG LEU 42 23.411 22.103 8.906 58 HB2 LEU 42 2HB LEU 42 24.395 21.322 6.865 59 HB3 LEU 42 1HB LEU 42 22.824 21.224 6.072 60 HD11 LEU 42 1HD1 LEU 42 22.724 23.394 6.353 61 HD12 LEU 42 2HD1 LEU 42 23.471 24.082 7.796 62 HD13 LEU 42 3HD1 LEU 42 21.718 23.913 7.704 63 HD21 LEU 42 3HD2 LEU 42 20.696 22.436 8.481 64 HD22 LEU 42 1HD2 LEU 42 21.425 21.154 9.447 65 HD23 LEU 42 2HD2 LEU 42 21.015 20.860 7.757 66 H TYR 43 HN TYR 43 22.322 18.308 5.525 67 HA TYR 43 HA TYR 43 24.863 16.821 5.139 68 HD1 TYR 43 HD1 TYR 43 24.599 13.943 5.007 69 HD2 TYR 43 HD2 TYR 43 23.024 16.034 1.602 70 HE1 TYR 43 HE1 TYR 43 25.758 12.355 3.496 71 HE2 TYR 43 HE2 TYR 43 24.182 14.446 0.090 72 HH TYR 43 HH TYR 43 25.021 11.937 0.356 73 HB2 TYR 43 2HB TYR 43 22.737 15.543 5.226 74 HB3 TYR 43 1HB TYR 43 22.151 16.445 3.830 75 H VAL 44 HN VAL 44 26.278 17.582 3.647 76 HA VAL 44 HA VAL 44 25.177 19.176 1.365 77 HB VAL 44 HB VAL 44 27.896 19.409 2.690 78 HG11 VAL 44 1HG1 VAL 44 28.516 20.782 0.990 79 HG12 VAL 44 2HG1 VAL 44 26.925 21.539 0.905 80 HG13 VAL 44 3HG1 VAL 44 27.216 20.004 0.088 81 HG21 VAL 44 3HG2 VAL 44 25.667 21.449 2.653 82 HG22 VAL 44 1HG2 VAL 44 27.110 21.430 3.667 83 HG23 VAL 44 2HG2 VAL 44 25.820 20.260 3.947 84 H TYR 45 HN TYR 45 25.821 18.559 -0.692 85 HA TYR 45 HA TYR 45 27.831 16.352 -0.868 86 HD1 TYR 45 HD1 TYR 45 27.073 13.557 -1.368 87 HD2 TYR 45 HD2 TYR 45 26.345 16.284 -4.607 88 HE1 TYR 45 HE1 TYR 45 28.132 11.964 -2.948 89 HE2 TYR 45 HE2 TYR 45 27.404 14.691 -6.186 90 HH TYR 45 HH TYR 45 29.049 11.801 -5.053 91 HB2 TYR 45 2HB TYR 45 25.536 15.447 -1.116 92 HB3 TYR 45 1HB TYR 45 25.248 16.571 -2.444 93 H GLY 46 HN GLY 46 29.252 16.511 -2.609 94 HA2 GLY 46 1HA GLY 46 28.875 17.995 -4.981 95 HA3 GLY 46 2HA GLY 46 29.623 19.085 -3.815 96 H GLU 47 HN GLU 47 31.308 18.825 -5.716 97 HA GLU 47 HA GLU 47 33.075 16.494 -5.093 98 HB2 GLU 47 2HB GLU 47 32.988 18.213 -7.594 99 HB3 GLU 47 1HB GLU 47 34.047 16.827 -7.332 100 HG2 GLU 47 2HG GLU 47 32.060 15.369 -7.079 101 HG3 GLU 47 1HG GLU 47 31.014 16.757 -7.378 102 H ASP 48 HN ASP 48 35.420 16.977 -5.090 103 HA ASP 48 HA ASP 48 37.162 18.213 -4.086 104 HB2 ASP 48 2HB ASP 48 36.009 20.340 -5.918 105 HB3 ASP 48 1HB ASP 48 37.648 20.304 -5.267 106 H MET 49 HN MET 49 34.787 18.196 -2.516 107 HA MET 49 HA MET 49 34.149 20.904 -1.667 108 HB2 MET 49 2HB MET 49 33.684 18.363 -0.094 109 HB3 MET 49 1HB MET 49 32.784 19.875 0.005 110 HG2 MET 49 2HG MET 49 31.817 19.549 -2.158 111 HG3 MET 49 1HG MET 49 32.925 18.231 -2.532 112 HE1 MET 49 3HE MET 49 30.388 18.479 1.012 113 HE2 MET 49 1HE MET 49 29.205 18.642 -0.293 114 HE3 MET 49 2HE MET 49 30.607 19.708 -0.232 115 H THR 50 HN THR 50 34.999 22.029 0.087 116 HA THR 50 HA THR 50 37.178 20.676 1.623 117 HB THR 50 HB THR 50 38.118 23.190 1.574 118 HG1 THR 50 1HG THR 50 36.961 22.868 -0.985 119 HG21 THR 50 3HG2 THR 50 38.635 21.594 -0.898 120 HG22 THR 50 1HG2 THR 50 38.996 20.851 0.659 121 HG23 THR 50 2HG2 THR 50 39.780 22.363 0.201 122 HA PRO 51 HA PRO 51 35.275 22.348 5.255 123 HB2 PRO 51 2HB PRO 51 37.399 23.027 6.781 124 HB3 PRO 51 1HB PRO 51 36.926 21.352 6.486 125 HG2 PRO 51 2HG PRO 51 39.074 22.976 5.180 126 HG3 PRO 51 1HG PRO 51 39.125 21.296 5.723 127 HD2 PRO 51 1HD PRO 51 38.769 21.971 3.123 128 HD3 PRO 51 2HD PRO 51 38.061 20.517 3.828 129 H THR 52 HN THR 52 38.106 24.389 4.424 130 HA THR 52 HA THR 52 37.090 26.783 5.564 131 HB THR 52 HB THR 52 38.869 26.567 3.117 132 HG1 THR 52 1HG THR 52 39.670 26.747 5.819 133 HG21 THR 52 3HG2 THR 52 37.775 28.804 4.123 134 HG22 THR 52 1HG2 THR 52 39.410 28.771 3.461 135 HG23 THR 52 2HG2 THR 52 39.163 28.669 5.203 136 H LEU 53 HN LEU 53 36.729 25.444 2.286 137 HA LEU 53 HA LEU 53 35.317 27.666 1.176 138 HG LEU 53 HG LEU 53 34.417 27.418 -0.843 139 HB2 LEU 53 2HB LEU 53 36.293 25.696 -0.097 140 HB3 LEU 53 1HB LEU 53 34.902 24.755 0.444 141 HD11 LEU 53 1HD1 LEU 53 35.120 26.801 -2.898 142 HD12 LEU 53 2HD1 LEU 53 34.364 25.215 -2.749 143 HD13 LEU 53 3HD1 LEU 53 35.986 25.482 -2.111 144 HD21 LEU 53 3HD2 LEU 53 32.982 24.873 -0.300 145 HD22 LEU 53 1HD2 LEU 53 32.577 25.688 -1.810 146 HD23 LEU 53 2HD2 LEU 53 32.381 26.531 -0.273 147 H LEU 54 HN LEU 54 34.138 24.695 2.770 148 HA LEU 54 HA LEU 54 31.355 25.343 2.532 149 HG LEU 54 HG LEU 54 32.903 23.061 2.069 150 HB2 LEU 54 2HB LEU 54 32.805 23.643 4.585 151 HB3 LEU 54 1HB LEU 54 31.055 23.686 4.374 152 HD11 LEU 54 1HD1 LEU 54 31.823 20.646 2.873 153 HD12 LEU 54 2HD1 LEU 54 32.243 21.410 4.406 154 HD13 LEU 54 3HD1 LEU 54 33.481 21.167 3.174 155 HD21 LEU 54 3HD2 LEU 54 30.837 21.909 1.254 156 HD22 LEU 54 1HD2 LEU 54 30.601 23.640 1.502 157 HD23 LEU 54 2HD2 LEU 54 29.989 22.487 2.689 158 H ARG 55 HN ARG 55 33.710 25.875 5.161 159 HA ARG 55 HA ARG 55 32.060 27.018 7.095 160 HE ARG 55 HE ARG 55 34.281 29.625 10.537 161 HB2 ARG 55 2HB ARG 55 34.524 26.653 7.332 162 HB3 ARG 55 1HB ARG 55 34.797 28.057 6.301 163 HG2 ARG 55 2HG ARG 55 33.581 29.479 7.906 164 HG3 ARG 55 1HG ARG 55 33.291 28.075 8.935 165 HD2 ARG 55 2HD ARG 55 35.767 27.766 9.125 166 HD3 ARG 55 1HD ARG 55 35.989 29.257 8.209 167 HH11 ARG 55 1HH1 ARG 55 36.191 31.680 9.505 168 HH12 ARG 55 2HH1 ARG 55 37.445 31.650 10.700 169 HH21 ARG 55 1HH2 ARG 55 36.468 28.600 12.030 170 HH22 ARG 55 2HH2 ARG 55 37.602 29.906 12.129 171 H GLY 56 HN GLY 56 33.406 28.571 4.192 172 HA2 GLY 56 2HA GLY 56 32.272 31.170 4.815 173 HA3 GLY 56 1HA GLY 56 32.947 30.686 3.259 174 H ALA 57 HN ALA 57 31.192 28.317 3.057 175 HA ALA 57 HA ALA 57 28.919 29.627 1.815 176 HB1 ALA 57 1HB ALA 57 28.151 27.100 1.704 177 HB2 ALA 57 2HB ALA 57 29.816 26.787 2.195 178 HB3 ALA 57 3HB ALA 57 29.487 27.662 0.699 179 H PHE 58 HN PHE 58 29.557 28.217 4.934 180 HA PHE 58 HA PHE 58 26.669 28.587 5.631 181 HD1 PHE 58 HD1 PHE 58 29.178 25.656 4.658 182 HD2 PHE 58 HD2 PHE 58 25.162 26.028 6.129 183 HE1 PHE 58 HE1 PHE 58 28.403 24.034 2.950 184 HE2 PHE 58 HE2 PHE 58 24.385 24.405 4.423 185 HZ PHE 58 HZ PHE 58 26.006 23.408 2.833 186 HB2 PHE 58 2HB PHE 58 28.698 26.684 6.847 187 HB3 PHE 58 1HB PHE 58 27.038 26.888 7.404 188 H SER 59 HN SER 59 29.458 30.165 5.836 189 HA SER 59 HA SER 59 29.672 30.688 8.684 190 HG SER 59 HG SER 59 32.754 31.500 7.627 191 HB2 SER 59 2HB SER 59 30.979 31.609 6.209 192 HB3 SER 59 1HB SER 59 30.874 32.835 7.472 193 HA PRO 60 HA PRO 60 27.482 34.871 7.523 194 HB2 PRO 60 2HB PRO 60 26.332 35.028 5.082 195 HB3 PRO 60 1HB PRO 60 28.000 35.514 5.395 196 HG2 PRO 60 2HG PRO 60 26.956 32.957 4.234 197 HG3 PRO 60 1HG PRO 60 28.327 33.938 3.706 198 HD2 PRO 60 2HD PRO 60 28.658 31.705 5.180 199 HD3 PRO 60 1HD PRO 60 29.727 33.098 5.348 200 H PHE 61 HN PHE 61 26.050 31.957 6.054 201 HA PHE 61 HA PHE 61 23.321 32.662 6.397 202 HD1 PHE 61 HD1 PHE 61 21.604 31.043 4.727 203 HD2 PHE 61 HD2 PHE 61 25.851 30.572 4.281 204 HE1 PHE 61 HE1 PHE 61 21.380 31.341 2.275 205 HE2 PHE 61 HE2 PHE 61 25.627 30.869 1.829 206 HZ PHE 61 HZ PHE 61 23.391 31.254 0.826 207 HB2 PHE 61 2HB PHE 61 24.748 30.001 6.364 208 HB3 PHE 61 1HB PHE 61 22.997 30.116 6.540 209 H GLY 62 HN GLY 62 25.672 31.340 8.682 210 HA2 GLY 62 1HA GLY 62 24.323 32.312 10.973 211 HA3 GLY 62 2HA GLY 62 23.819 30.639 10.745 212 H ASN 63 HN ASN 63 25.041 30.689 12.974 213 HA ASN 63 HA ASN 63 27.979 30.477 12.621 214 HB2 ASN 63 2HB ASN 63 26.263 30.307 15.119 215 HB3 ASN 63 1HB ASN 63 28.027 30.309 15.087 216 HD21 ASN 63 1HD2 ASN 63 26.012 32.358 16.188 217 HD22 ASN 63 2HD2 ASN 63 26.481 33.825 15.472 218 H ILE 64 HN ILE 64 29.101 28.529 13.016 219 HA ILE 64 HA ILE 64 27.366 26.094 13.056 220 HB ILE 64 HB ILE 64 30.209 26.388 12.040 221 HG12 ILE 64 2HG1 ILE 64 27.726 25.957 10.378 222 HG13 ILE 64 1HG1 ILE 64 28.300 27.579 10.766 223 HG21 ILE 64 1HG2 ILE 64 29.781 24.150 11.066 224 HG22 ILE 64 2HG2 ILE 64 28.196 24.127 11.839 225 HG23 ILE 64 3HG2 ILE 64 29.659 24.122 12.825 226 HD11 ILE 64 3HD1 ILE 64 30.617 26.377 9.945 227 HD12 ILE 64 1HD1 ILE 64 29.571 27.331 8.894 228 HD13 ILE 64 2HD1 ILE 64 29.430 25.574 8.918 229 H ILE 65 HN ILE 65 27.498 24.843 14.854 230 HA ILE 65 HA ILE 65 29.572 25.476 16.863 231 HB ILE 65 HB ILE 65 28.230 24.209 18.401 232 HG12 ILE 65 2HG1 ILE 65 26.625 23.285 15.999 233 HG13 ILE 65 1HG1 ILE 65 27.814 22.299 16.851 234 HG21 ILE 65 1HG2 ILE 65 26.581 25.757 18.491 235 HG22 ILE 65 2HG2 ILE 65 25.925 25.258 16.931 236 HG23 ILE 65 3HG2 ILE 65 27.267 26.401 16.999 237 HD11 ILE 65 3HD1 ILE 65 26.263 23.182 18.929 238 HD12 ILE 65 1HD1 ILE 65 26.033 21.638 18.106 239 HD13 ILE 65 2HD1 ILE 65 25.066 23.038 17.641 240 H ASP 66 HN ASP 66 28.817 23.044 14.502 241 HA ASP 66 HA ASP 66 31.337 21.668 15.132 242 HB2 ASP 66 2HB ASP 66 29.508 20.625 16.588 243 HB3 ASP 66 1HB ASP 66 28.785 20.045 15.087 244 H LEU 67 HN LEU 67 32.005 22.194 13.022 245 HA LEU 67 HA LEU 67 30.294 21.340 10.757 246 HG LEU 67 HG LEU 67 31.073 21.709 8.708 247 HB2 LEU 67 2HB LEU 67 31.572 23.566 10.821 248 HB3 LEU 67 1HB LEU 67 33.035 22.609 10.589 249 HD11 LEU 67 1HD1 LEU 67 29.908 23.607 8.300 250 HD12 LEU 67 2HD1 LEU 67 31.394 24.223 7.576 251 HD13 LEU 67 3HD1 LEU 67 31.017 24.585 9.260 252 HD21 LEU 67 3HD2 LEU 67 32.920 22.989 7.213 253 HD22 LEU 67 1HD2 LEU 67 33.229 21.425 7.968 254 HD23 LEU 67 2HD2 LEU 67 33.798 22.904 8.741 255 H SER 68 HN SER 68 30.617 19.394 9.780 256 HA SER 68 HA SER 68 33.268 18.068 10.179 257 HG SER 68 HG SER 68 32.264 16.458 12.274 258 HB2 SER 68 2HB SER 68 30.527 16.768 10.163 259 HB3 SER 68 1HB SER 68 32.061 15.903 10.257 260 H MET 69 HN MET 69 33.941 16.690 8.422 261 HA MET 69 HA MET 69 32.444 17.150 5.873 262 HB2 MET 69 2HB MET 69 35.429 17.247 6.376 263 HB3 MET 69 1HB MET 69 34.725 17.142 4.764 264 HG2 MET 69 2HG MET 69 33.384 19.215 5.313 265 HG3 MET 69 1HG MET 69 34.333 19.357 6.792 266 HE1 MET 69 3HE MET 69 34.984 20.091 2.565 267 HE2 MET 69 1HE MET 69 34.259 18.646 3.283 268 HE3 MET 69 2HE MET 69 35.946 18.630 2.776 269 H ASP 70 HN ASP 70 32.536 15.386 4.370 270 HA ASP 70 HA ASP 70 33.679 12.857 5.481 271 HB2 ASP 70 2HB ASP 70 30.971 13.404 5.281 272 HB3 ASP 70 1HB ASP 70 31.303 12.498 3.804 273 HA PRO 71 HA PRO 71 35.429 13.335 1.303 274 HB2 PRO 71 2HB PRO 71 37.668 11.912 1.802 275 HB3 PRO 71 1HB PRO 71 37.488 13.620 2.203 276 HG2 PRO 71 2HG PRO 71 37.355 11.233 3.968 277 HG3 PRO 71 1HG PRO 71 37.972 12.847 4.312 278 HD2 PRO 71 1HD PRO 71 35.504 11.911 5.131 279 HD3 PRO 71 2HD PRO 71 35.931 13.613 4.980 280 HA PRO 72 HA PRO 72 35.357 8.497 0.931 281 HB2 PRO 72 2HB PRO 72 33.874 7.157 2.737 282 HB3 PRO 72 1HB PRO 72 35.598 7.463 2.954 283 HG2 PRO 72 2HG PRO 72 33.256 8.837 4.180 284 HG3 PRO 72 1HG PRO 72 34.819 8.443 4.894 285 HD2 PRO 72 1HD PRO 72 34.126 10.933 3.989 286 HD3 PRO 72 2HD PRO 72 35.784 10.361 4.126 287 H ARG 73 HN ARG 73 32.583 10.299 2.142 288 HA ARG 73 HA ARG 73 30.845 8.845 0.194 289 HE ARG 73 HE ARG 73 30.044 7.492 5.609 290 HB2 ARG 73 2HB ARG 73 30.050 10.578 2.556 291 HB3 ARG 73 1HB ARG 73 28.949 9.674 1.516 292 HG2 ARG 73 2HG ARG 73 30.051 7.564 2.198 293 HG3 ARG 73 1HG ARG 73 31.125 8.476 3.258 294 HD2 ARG 73 2HD ARG 73 29.070 9.363 4.432 295 HD3 ARG 73 1HD ARG 73 28.113 8.230 3.478 296 HH11 ARG 73 1HH1 ARG 73 27.235 6.642 5.837 297 HH12 ARG 73 2HH1 ARG 73 27.263 5.024 5.217 298 HH21 ARG 73 1HH2 ARG 73 30.330 5.398 3.642 299 HH22 ARG 73 2HH2 ARG 73 29.016 4.320 3.975 300 H ASN 74 HN ASN 74 32.646 11.611 0.434 301 HA ASN 74 HA ASN 74 32.646 13.610 -0.794 302 HB2 ASN 74 2HB ASN 74 30.506 12.135 -2.359 303 HB3 ASN 74 1HB ASN 74 31.285 13.630 -2.876 304 HD21 ASN 74 1HD2 ASN 74 31.525 11.254 -4.440 305 HD22 ASN 74 2HD2 ASN 74 33.135 10.719 -4.373 306 H CYS 75 HN CYS 75 31.158 13.605 1.585 307 HA CYS 75 HA CYS 75 29.131 15.658 0.914 308 HG CYS 75 HG CYS 75 27.953 12.453 3.618 309 HB2 CYS 75 2HB CYS 75 27.447 14.613 2.388 310 HB3 CYS 75 1HB CYS 75 27.862 13.543 1.049 311 H ALA 76 HN ALA 76 28.754 17.118 2.676 312 HA ALA 76 HA ALA 76 30.723 16.823 4.911 313 HB1 ALA 76 1HB ALA 76 30.864 18.775 3.125 314 HB2 ALA 76 2HB ALA 76 31.166 19.102 4.831 315 HB3 ALA 76 3HB ALA 76 29.597 19.486 4.123 316 H PHE 77 HN PHE 77 30.010 17.577 7.011 317 HA PHE 77 HA PHE 77 27.033 17.767 7.261 318 HD1 PHE 77 HD1 PHE 77 25.556 15.449 8.094 319 HD2 PHE 77 HD2 PHE 77 29.743 14.766 7.424 320 HE1 PHE 77 HE1 PHE 77 25.012 13.429 6.762 321 HE2 PHE 77 HE2 PHE 77 29.201 12.746 6.092 322 HZ PHE 77 HZ PHE 77 26.834 12.077 5.761 323 HB2 PHE 77 2HB PHE 77 28.998 16.357 9.090 324 HB3 PHE 77 1HB PHE 77 27.286 16.583 9.445 325 H VAL 78 HN VAL 78 26.722 19.917 7.721 326 HA VAL 78 HA VAL 78 28.519 21.165 9.750 327 HB VAL 78 HB VAL 78 28.528 22.348 7.628 328 HG11 VAL 78 1HG1 VAL 78 26.344 23.336 6.826 329 HG12 VAL 78 2HG1 VAL 78 25.532 22.304 8.004 330 HG13 VAL 78 3HG1 VAL 78 26.457 21.582 6.690 331 HG21 VAL 78 3HG2 VAL 78 28.488 23.646 9.801 332 HG22 VAL 78 1HG2 VAL 78 26.753 23.860 9.566 333 HG23 VAL 78 2HG2 VAL 78 27.893 24.546 8.406 334 H THR 79 HN THR 79 27.629 21.898 11.656 335 HA THR 79 HA THR 79 24.716 21.394 12.026 336 HB THR 79 HB THR 79 26.687 21.977 14.232 337 HG1 THR 79 1HG THR 79 27.502 20.261 12.979 338 HG21 THR 79 3HG2 THR 79 23.921 20.962 13.957 339 HG22 THR 79 1HG2 THR 79 24.670 21.848 15.285 340 HG23 THR 79 2HG2 THR 79 24.923 20.110 15.133 341 H TYR 80 HN TYR 80 23.362 23.119 12.206 342 HA TYR 80 HA TYR 80 24.580 25.817 12.532 343 HD1 TYR 80 HD1 TYR 80 24.653 27.504 11.739 344 HD2 TYR 80 HD2 TYR 80 22.373 25.308 8.838 345 HE1 TYR 80 HE1 TYR 80 25.862 28.665 9.911 346 HE2 TYR 80 HE2 TYR 80 23.578 26.470 7.010 347 HH TYR 80 HH TYR 80 25.838 29.100 7.682 348 HB2 TYR 80 2HB TYR 80 22.212 24.743 11.121 349 HB3 TYR 80 1HB TYR 80 21.958 26.286 11.937 350 H GLU 81 HN GLU 81 24.329 26.847 14.450 351 HA GLU 81 HA GLU 81 23.317 25.807 16.791 352 HB2 GLU 81 2HB GLU 81 24.527 27.986 16.588 353 HB3 GLU 81 1HB GLU 81 23.040 28.716 15.982 354 HG2 GLU 81 2HG GLU 81 21.885 28.109 18.076 355 HG3 GLU 81 1HG GLU 81 23.366 27.368 18.682 356 H LYS 82 HN LYS 82 21.446 27.746 14.442 357 HA LYS 82 HA LYS 82 18.968 26.757 15.796 358 HB2 LYS 82 2HB LYS 82 19.380 29.237 14.097 359 HB3 LYS 82 1HB LYS 82 17.848 28.737 14.811 360 HG2 LYS 82 2HG LYS 82 18.874 28.874 17.067 361 HG3 LYS 82 1HG LYS 82 20.381 29.424 16.334 362 HD2 LYS 82 2HD LYS 82 19.142 31.361 15.350 363 HD3 LYS 82 1HD LYS 82 17.698 30.834 16.213 364 HE2 LYS 82 2HE LYS 82 20.179 31.125 17.830 365 HE3 LYS 82 1HE LYS 82 19.438 32.617 17.249 366 HZ1 LYS 82 3HZ LYS 82 17.691 30.592 18.432 367 HZ2 LYS 82 1HZ LYS 82 17.573 32.283 18.476 368 HZ3 LYS 82 2HZ LYS 82 18.686 31.484 19.481 369 H MET 83 HN MET 83 17.187 26.152 14.378 370 HA MET 83 HA MET 83 18.105 24.742 11.997 371 HB2 MET 83 2HB MET 83 15.313 25.159 13.110 372 HB3 MET 83 1HB MET 83 15.727 24.057 11.798 373 HG2 MET 83 2HG MET 83 17.293 22.872 13.341 374 HG3 MET 83 1HG MET 83 16.757 23.926 14.649 375 HE1 MET 83 3HE MET 83 15.935 20.541 15.284 376 HE2 MET 83 1HE MET 83 14.918 21.595 16.278 377 HE3 MET 83 2HE MET 83 16.556 22.087 15.856 378 H GLU 84 HN GLU 84 16.766 27.854 12.676 379 HA GLU 84 HA GLU 84 15.559 28.340 10.097 380 HB2 GLU 84 2HB GLU 84 16.652 30.258 12.180 381 HB3 GLU 84 1HB GLU 84 15.712 30.745 10.768 382 HG2 GLU 84 2HG GLU 84 13.837 29.322 11.537 383 HG3 GLU 84 1HG GLU 84 14.775 28.864 12.959 384 H SER 85 HN SER 85 18.766 29.069 11.478 385 HA SER 85 HA SER 85 19.812 30.420 9.189 386 HG SER 85 HG SER 85 20.421 31.344 11.315 387 HB2 SER 85 2HB SER 85 21.366 28.684 11.130 388 HB3 SER 85 1HB SER 85 21.993 30.014 10.156 389 H ALA 86 HN ALA 86 19.331 27.033 9.905 390 HA ALA 86 HA ALA 86 21.066 26.079 7.762 391 HB1 ALA 86 1HB ALA 86 19.105 24.834 9.660 392 HB2 ALA 86 2HB ALA 86 20.809 24.454 9.410 393 HB3 ALA 86 3HB ALA 86 19.605 23.927 8.234 394 H ASP 87 HN ASP 87 17.634 26.811 8.152 395 HA ASP 87 HA ASP 87 16.768 25.637 5.673 396 HB2 ASP 87 2HB ASP 87 15.239 26.306 7.543 397 HB3 ASP 87 1HB ASP 87 15.554 27.995 7.143 398 H GLN 88 HN GLN 88 18.116 28.785 6.533 399 HA GLN 88 HA GLN 88 17.589 29.958 3.916 400 HB2 GLN 88 2HB GLN 88 17.862 31.318 6.001 401 HB3 GLN 88 1HB GLN 88 19.560 30.845 6.045 402 HG2 GLN 88 2HG GLN 88 19.891 31.853 3.809 403 HG3 GLN 88 1HG GLN 88 18.197 32.339 3.782 404 HE21 GLN 88 1HE2 GLN 88 19.943 34.428 3.571 405 HE22 GLN 88 2HE2 GLN 88 20.070 35.283 5.032 406 H ALA 89 HN ALA 89 20.336 28.365 5.495 407 HA ALA 89 HA ALA 89 22.142 28.847 3.261 408 HB1 ALA 89 1HB ALA 89 23.736 27.649 4.499 409 HB2 ALA 89 2HB ALA 89 22.513 26.645 5.278 410 HB3 ALA 89 3HB ALA 89 22.711 28.329 5.763 411 H VAL 90 HN VAL 90 19.996 26.232 4.286 412 HA VAL 90 HA VAL 90 20.936 24.329 2.321 413 HB VAL 90 HB VAL 90 18.332 24.522 3.863 414 HG11 VAL 90 1HG1 VAL 90 18.703 21.882 3.102 415 HG12 VAL 90 2HG1 VAL 90 19.178 22.781 1.660 416 HG13 VAL 90 3HG1 VAL 90 17.573 23.011 2.354 417 HG21 VAL 90 3HG2 VAL 90 20.987 23.719 4.556 418 HG22 VAL 90 1HG2 VAL 90 19.973 22.277 4.526 419 HG23 VAL 90 2HG2 VAL 90 19.533 23.642 5.551 420 H ALA 91 HN ALA 91 18.305 26.719 2.396 421 HA ALA 91 HA ALA 91 17.307 25.951 -0.232 422 HB1 ALA 91 1HB ALA 91 16.194 28.339 0.068 423 HB2 ALA 91 2HB ALA 91 16.728 28.135 1.737 424 HB3 ALA 91 3HB ALA 91 15.627 26.961 1.015 425 H GLU 92 HN GLU 92 19.538 28.374 1.041 426 HA GLU 92 HA GLU 92 19.802 29.732 -1.535 427 HB2 GLU 92 2HB GLU 92 20.237 30.602 0.948 428 HB3 GLU 92 1HB GLU 92 21.863 30.008 0.612 429 HG2 GLU 92 2HG GLU 92 20.392 31.814 -1.309 430 HG3 GLU 92 1HG GLU 92 21.390 32.455 -0.005 431 H LEU 93 HN LEU 93 21.830 27.520 0.408 432 HA LEU 93 HA LEU 93 23.928 27.379 -1.575 433 HG LEU 93 HG LEU 93 23.949 27.934 1.171 434 HB2 LEU 93 2HB LEU 93 23.203 25.527 0.713 435 HB3 LEU 93 1HB LEU 93 24.661 25.368 -0.264 436 HD11 LEU 93 1HD1 LEU 93 25.120 27.250 3.072 437 HD12 LEU 93 2HD1 LEU 93 25.985 25.981 2.205 438 HD13 LEU 93 3HD1 LEU 93 24.286 25.762 2.624 439 HD21 LEU 93 3HD2 LEU 93 26.264 28.484 0.790 440 HD22 LEU 93 1HD2 LEU 93 25.607 27.915 -0.744 441 HD23 LEU 93 2HD2 LEU 93 26.617 26.848 0.232 442 H ASN 94 HN ASN 94 21.040 25.435 -0.892 443 HA ASN 94 HA ASN 94 21.659 23.368 -2.812 444 HB2 ASN 94 2HB ASN 94 20.001 23.162 -0.915 445 HB3 ASN 94 1HB ASN 94 18.916 24.199 -1.840 446 HD21 ASN 94 1HD2 ASN 94 17.524 22.110 -1.754 447 HD22 ASN 94 2HD2 ASN 94 17.782 20.961 -2.975 448 H GLY 95 HN GLY 95 21.215 23.296 -4.994 449 HA2 GLY 95 2HA GLY 95 20.249 23.955 -7.062 450 HA3 GLY 95 1HA GLY 95 19.363 25.221 -6.211 451 H THR 96 HN THR 96 22.810 24.868 -5.755 452 HA THR 96 HA THR 96 23.233 27.279 -7.476 453 HB THR 96 HB THR 96 24.732 28.197 -5.835 454 HG1 THR 96 1HG THR 96 25.776 26.833 -4.660 455 HG21 THR 96 3HG2 THR 96 22.630 27.191 -3.983 456 HG22 THR 96 1HG2 THR 96 22.080 28.037 -5.430 457 HG23 THR 96 2HG2 THR 96 23.161 28.845 -4.293 458 H GLN 97 HN GLN 97 25.207 27.323 -8.624 459 HA GLN 97 HA GLN 97 26.756 24.763 -8.542 460 HB2 GLN 97 2HB GLN 97 25.399 25.195 -10.638 461 HB3 GLN 97 1HB GLN 97 26.426 26.599 -10.931 462 HG2 GLN 97 2HG GLN 97 28.423 25.070 -10.824 463 HG3 GLN 97 1HG GLN 97 27.308 23.705 -10.739 464 HE21 GLN 97 1HE2 GLN 97 29.030 23.820 -12.939 465 HE22 GLN 97 2HE2 GLN 97 28.157 24.226 -14.337 466 H VAL 98 HN VAL 98 28.976 24.943 -8.350 467 HA VAL 98 HA VAL 98 30.046 27.572 -7.638 468 HB VAL 98 HB VAL 98 31.838 25.214 -8.045 469 HG11 VAL 98 1HG1 VAL 98 31.678 26.804 -5.533 470 HG12 VAL 98 2HG1 VAL 98 32.211 27.661 -6.979 471 HG13 VAL 98 3HG1 VAL 98 33.095 26.242 -6.419 472 HG21 VAL 98 3HG2 VAL 98 29.511 25.332 -6.165 473 HG22 VAL 98 1HG2 VAL 98 31.016 24.617 -5.590 474 HG23 VAL 98 2HG2 VAL 98 30.202 23.943 -7.002 475 H GLU 99 HN GLU 99 32.722 27.077 -8.737 476 HA GLU 99 HA GLU 99 32.509 28.484 -11.190 477 HB2 GLU 99 2HB GLU 99 34.740 26.695 -10.180 478 HB3 GLU 99 1HB GLU 99 34.885 27.805 -11.542 479 HG2 GLU 99 2HG GLU 99 34.279 29.690 -10.031 480 HG3 GLU 99 1HG GLU 99 34.232 28.560 -8.677 481 H SER 100 HN SER 100 32.715 25.004 -10.528 482 HA SER 100 HA SER 100 31.542 24.450 -13.162 483 HG SER 100 HG SER 100 32.986 25.017 -14.509 484 HB2 SER 100 2HB SER 100 34.410 24.174 -12.653 485 HB3 SER 100 1HB SER 100 33.671 22.661 -13.177 486 H VAL 101 HN VAL 101 31.030 24.025 -10.214 487 HA VAL 101 HA VAL 101 30.500 21.099 -10.419 488 HB VAL 101 HB VAL 101 31.559 22.500 -7.945 489 HG11 VAL 101 1HG1 VAL 101 30.825 19.618 -8.536 490 HG12 VAL 101 2HG1 VAL 101 30.059 20.686 -7.360 491 HG13 VAL 101 3HG1 VAL 101 31.714 20.133 -7.103 492 HG21 VAL 101 3HG2 VAL 101 32.875 20.496 -9.805 493 HG22 VAL 101 1HG2 VAL 101 33.580 21.134 -8.320 494 HG23 VAL 101 2HG2 VAL 101 33.286 22.206 -9.690 495 H GLN 102 HN GLN 102 28.813 20.442 -8.740 496 HA GLN 102 HA GLN 102 26.918 22.707 -8.255 497 HB2 GLN 102 2HB GLN 102 26.267 19.839 -9.005 498 HB3 GLN 102 1HB GLN 102 25.078 21.082 -8.617 499 HG2 GLN 102 2HG GLN 102 25.855 22.442 -10.509 500 HG3 GLN 102 1HG GLN 102 27.092 21.240 -10.882 501 HE21 GLN 102 1HE2 GLN 102 25.118 21.894 -12.824 502 HE22 GLN 102 2HE2 GLN 102 24.085 20.564 -13.028 503 H LEU 103 HN LEU 103 25.786 22.634 -6.253 504 HA LEU 103 HA LEU 103 26.794 20.559 -4.347 505 HG LEU 103 HG LEU 103 27.881 20.952 -2.818 506 HB2 LEU 103 2HB LEU 103 27.124 23.359 -4.230 507 HB3 LEU 103 1HB LEU 103 25.910 22.962 -3.014 508 HD11 LEU 103 1HD1 LEU 103 29.079 23.734 -2.976 509 HD12 LEU 103 2HD1 LEU 103 29.404 22.403 -4.088 510 HD13 LEU 103 3HD1 LEU 103 29.922 22.294 -2.406 511 HD21 LEU 103 3HD2 LEU 103 26.615 21.783 -0.933 512 HD22 LEU 103 1HD2 LEU 103 27.262 23.408 -1.152 513 HD23 LEU 103 2HD2 LEU 103 28.319 22.104 -0.612 514 H LYS 104 HN LYS 104 25.253 19.489 -3.171 515 HA LYS 104 HA LYS 104 22.430 20.444 -3.453 516 HB2 LYS 104 2HB LYS 104 23.438 17.596 -3.165 517 HB3 LYS 104 1HB LYS 104 21.750 18.080 -3.316 518 HG2 LYS 104 2HG LYS 104 22.263 19.087 -5.531 519 HG3 LYS 104 1HG LYS 104 23.927 18.522 -5.382 520 HD2 LYS 104 2HD LYS 104 23.060 16.183 -5.171 521 HD3 LYS 104 1HD LYS 104 21.433 16.796 -5.465 522 HE2 LYS 104 2HE LYS 104 21.796 16.921 -7.691 523 HE3 LYS 104 1HE LYS 104 23.323 17.770 -7.457 524 HZ1 LYS 104 3HZ LYS 104 22.843 14.849 -7.439 525 HZ2 LYS 104 1HZ LYS 104 24.273 15.540 -6.841 526 HZ3 LYS 104 2HZ LYS 104 23.854 15.738 -8.476 527 H VAL 105 HN VAL 105 21.381 20.841 -1.542 528 HA VAL 105 HA VAL 105 22.773 19.989 0.962 529 HB VAL 105 HB VAL 105 20.738 22.211 0.631 530 HG11 VAL 105 1HG1 VAL 105 22.149 22.859 2.807 531 HG12 VAL 105 2HG1 VAL 105 22.395 21.113 2.864 532 HG13 VAL 105 3HG1 VAL 105 20.760 21.775 2.901 533 HG21 VAL 105 3HG2 VAL 105 23.720 22.562 0.947 534 HG22 VAL 105 1HG2 VAL 105 22.522 23.755 0.442 535 HG23 VAL 105 2HG2 VAL 105 22.974 22.444 -0.648 536 H ASN 106 HN ASN 106 21.707 18.638 2.340 537 HA ASN 106 HA ASN 106 18.769 18.268 1.956 538 HB2 ASN 106 2HB ASN 106 20.852 16.083 2.266 539 HB3 ASN 106 1HB ASN 106 19.110 15.819 2.322 540 HD21 ASN 106 1HD2 ASN 106 20.696 14.578 0.300 541 HD22 ASN 106 2HD2 ASN 106 20.303 15.268 -1.200 542 H ILE 107 HN ILE 107 18.068 16.692 3.944 543 HA ILE 107 HA ILE 107 19.184 18.026 6.372 544 HB ILE 107 HB ILE 107 16.513 16.636 6.013 545 HG12 ILE 107 1HG1 ILE 107 17.208 19.584 6.101 546 HG13 ILE 107 2HG1 ILE 107 16.686 18.699 4.669 547 HG21 ILE 107 1HG2 ILE 107 17.660 16.811 8.340 548 HG22 ILE 107 2HG2 ILE 107 15.990 17.359 8.194 549 HG23 ILE 107 3HG2 ILE 107 17.306 18.534 8.215 550 HD11 ILE 107 3HD1 ILE 107 14.886 18.308 6.942 551 HD12 ILE 107 1HD1 ILE 107 14.512 18.795 5.289 552 HD13 ILE 107 2HD1 ILE 107 15.017 20.002 6.472 553 H ALA 108 HN ALA 108 20.096 16.770 7.962 554 HA ALA 108 HA ALA 108 20.122 13.822 7.475 555 HB1 ALA 108 1HB ALA 108 22.225 13.781 8.706 556 HB2 ALA 108 2HB ALA 108 22.055 15.489 9.114 557 HB3 ALA 108 3HB ALA 108 22.328 15.004 7.440 558 H ARG 109 HN ARG 109 20.203 12.480 9.511 559 HA ARG 109 HA ARG 109 17.991 12.842 11.161 560 HE ARG 109 HE ARG 109 18.065 10.144 15.360 561 HB2 ARG 109 2HB ARG 109 19.340 10.759 11.084 562 HB3 ARG 109 1HB ARG 109 20.624 11.573 11.980 563 HG2 ARG 109 2HG ARG 109 18.983 12.009 13.824 564 HG3 ARG 109 1HG ARG 109 17.794 11.050 12.942 565 HD2 ARG 109 2HD ARG 109 19.426 9.133 12.975 566 HD3 ARG 109 1HD ARG 109 20.463 10.100 14.023 567 HH11 ARG 109 1HH1 ARG 109 20.673 8.095 15.023 568 HH12 ARG 109 2HH1 ARG 109 19.891 6.689 15.664 569 HH21 ARG 109 1HH2 ARG 109 16.743 8.143 15.729 570 HH22 ARG 109 2HH2 ARG 109 17.667 6.717 16.064 571 H LYS 110 HN LYS 110 17.600 13.916 13.113 572 HA LYS 110 HA LYS 110 19.024 16.316 13.645 573 HB2 LYS 110 2HB LYS 110 17.247 14.692 15.492 574 HB3 LYS 110 1HB LYS 110 17.752 16.357 15.782 575 HG2 LYS 110 2HG LYS 110 16.695 17.008 13.612 576 HG3 LYS 110 1HG LYS 110 16.105 15.355 13.440 577 HD2 LYS 110 2HD LYS 110 14.910 15.599 15.620 578 HD3 LYS 110 1HD LYS 110 15.428 17.284 15.682 579 HE2 LYS 110 2HE LYS 110 13.835 16.098 13.391 580 HE3 LYS 110 1HE LYS 110 13.105 16.955 14.749 581 HZ1 LYS 110 3HZ LYS 110 13.392 18.638 13.245 582 HZ2 LYS 110 1HZ LYS 110 14.824 17.991 12.605 583 HZ3 LYS 110 2HZ LYS 110 14.843 18.759 14.121 584 H GLN 111 HN GLN 111 20.689 16.801 15.076 585 HA GLN 111 HA GLN 111 22.471 14.655 15.812 586 HB2 GLN 111 2HB GLN 111 23.770 16.444 16.933 587 HB3 GLN 111 1HB GLN 111 23.317 16.895 15.292 588 HG2 GLN 111 2HG GLN 111 21.191 17.906 16.514 589 HG3 GLN 111 1HG GLN 111 22.280 17.939 17.901 590 HE21 GLN 111 1HE2 GLN 111 23.527 19.800 18.047 591 HE22 GLN 111 2HE2 GLN 111 23.934 20.807 16.745 592 HA PRO 112 HA PRO 112 20.746 13.533 19.742 593 HB2 PRO 112 2HB PRO 112 22.929 12.438 20.887 594 HB3 PRO 112 1HB PRO 112 22.020 11.645 19.598 595 HG2 PRO 112 2HG PRO 112 24.578 13.184 19.448 596 HG3 PRO 112 1HG PRO 112 24.127 11.690 18.622 597 HD2 PRO 112 1HD PRO 112 24.072 14.125 17.407 598 HD3 PRO 112 2HD PRO 112 22.994 12.804 16.957 599 H MET 113 HN MET 113 23.818 15.340 19.757 600 HA MET 113 HA MET 113 24.114 15.991 22.423 601 HB2 MET 113 2HB MET 113 24.289 17.975 20.135 602 HB3 MET 113 1HB MET 113 25.043 18.155 21.718 603 HG2 MET 113 2HG MET 113 26.618 16.490 21.308 604 HG3 MET 113 1HG MET 113 25.604 15.680 20.115 605 HE1 MET 113 3HE MET 113 24.504 17.171 18.478 606 HE2 MET 113 1HE MET 113 25.587 17.328 17.087 607 HE3 MET 113 2HE MET 113 25.079 18.760 17.978 608 H LEU 114 HN LEU 114 21.539 17.019 20.295 609 HA LEU 114 HA LEU 114 19.874 17.834 22.493 610 HG LEU 114 HG LEU 114 18.614 19.805 22.402 611 HB2 LEU 114 2HB LEU 114 21.418 19.775 22.484 612 HB3 LEU 114 1HB LEU 114 21.021 20.064 20.790 613 HD11 LEU 114 1HD1 LEU 114 19.082 22.175 23.432 614 HD12 LEU 114 2HD1 LEU 114 20.774 21.695 23.294 615 HD13 LEU 114 3HD1 LEU 114 19.662 20.737 24.272 616 HD21 LEU 114 3HD2 LEU 114 19.152 22.425 21.278 617 HD22 LEU 114 1HD2 LEU 114 17.928 21.245 20.807 618 HD23 LEU 114 2HD2 LEU 114 19.550 21.157 20.120 619 H ASP 115 HN ASP 115 19.864 16.291 19.934 620 HA ASP 115 HA ASP 115 18.451 15.958 18.081 621 HB2 ASP 115 2HB ASP 115 16.588 17.549 19.876 622 HB3 ASP 115 1HB ASP 115 16.086 16.601 18.476 623 H ALA 116 HN ALA 116 20.207 18.291 18.058 624 HA ALA 116 HA ALA 116 20.570 20.039 16.522 625 HB1 ALA 116 1HB ALA 116 18.336 18.669 15.448 626 HB2 ALA 116 2HB ALA 116 19.389 19.819 14.625 627 HB3 ALA 116 3HB ALA 116 17.929 20.386 15.438 628 H ALA 117 HN ALA 117 17.103 20.590 17.091 629 HA ALA 117 HA ALA 117 17.585 22.515 19.212 630 HB1 ALA 117 1HB ALA 117 16.396 23.902 16.902 631 HB2 ALA 117 2HB ALA 117 18.100 23.489 16.704 632 HB3 ALA 117 3HB ALA 117 17.586 24.481 18.070 633 H THR 118 HN THR 118 15.794 20.206 18.377 634 HA THR 118 HA THR 118 13.157 21.222 17.923 635 HB THR 118 HB THR 118 12.384 19.006 18.610 636 HG1 THR 118 1HG THR 118 13.856 17.575 19.557 637 HG21 THR 118 3HG2 THR 118 15.051 18.687 17.216 638 HG22 THR 118 1HG2 THR 118 13.617 19.329 16.416 639 HG23 THR 118 2HG2 THR 118 13.616 17.678 17.036 640 H GLY 119 HN GLY 119 15.169 21.414 20.651 641 HA2 GLY 119 2HA GLY 119 13.356 21.177 22.811 642 HA3 GLY 119 1HA GLY 119 14.770 22.230 22.814 643 H LYS 120 HN LYS 120 13.806 23.770 20.475 644 HA LYS 120 HA LYS 120 12.498 25.895 21.768 645 HB2 LYS 120 2HB LYS 120 13.570 26.076 19.539 646 HB3 LYS 120 1HB LYS 120 12.261 25.120 18.844 647 HG2 LYS 120 2HG LYS 120 11.632 27.373 18.438 648 HG3 LYS 120 1HG LYS 120 10.679 26.896 19.842 649 HD2 LYS 120 2HD LYS 120 12.291 27.962 21.341 650 HD3 LYS 120 1HD LYS 120 13.330 28.364 19.973 651 HE2 LYS 120 2HE LYS 120 12.196 30.349 20.050 652 HE3 LYS 120 1HE LYS 120 10.989 29.450 19.129 653 HZ1 LYS 120 3HZ LYS 120 10.358 30.702 21.322 654 HZ2 LYS 120 1HZ LYS 120 10.924 29.279 22.052 655 HZ3 LYS 120 2HZ LYS 120 9.647 29.209 20.934 656 H SER 121 HN SER 121 11.122 23.033 20.218 657 HA SER 121 HA SER 121 8.418 23.974 21.089 658 HG SER 121 HG SER 121 8.788 23.810 17.638 659 HB2 SER 121 2HB SER 121 9.235 22.138 18.822 660 HB3 SER 121 1HB SER 121 7.566 22.336 19.357 Start of MODEL 11 1 H ALA 35 HN ALA 35 19.312 27.891 22.916 2 HA ALA 35 HA ALA 35 21.459 28.783 24.735 3 HB1 ALA 35 1HB ALA 35 19.936 26.311 25.119 4 HB2 ALA 35 2HB ALA 35 21.071 27.109 26.207 5 HB3 ALA 35 3HB ALA 35 21.668 26.021 24.953 6 HA PRO 36 HA PRO 36 23.844 27.926 21.088 7 HB2 PRO 36 2HB PRO 36 26.297 27.716 22.203 8 HB3 PRO 36 1HB PRO 36 25.466 29.259 21.993 9 HG2 PRO 36 2HG PRO 36 25.696 27.545 24.438 10 HG3 PRO 36 1HG PRO 36 25.846 29.299 24.293 11 HD2 PRO 36 2HD PRO 36 23.582 28.121 25.187 12 HD3 PRO 36 1HD PRO 36 23.556 29.622 24.260 13 H ARG 37 HN ARG 37 23.885 25.759 23.846 14 HA ARG 37 HA ARG 37 25.515 23.679 22.840 15 HE ARG 37 HE ARG 37 26.440 23.507 27.814 16 HB2 ARG 37 2HB ARG 37 23.015 23.533 24.549 17 HB3 ARG 37 1HB ARG 37 24.101 22.171 24.271 18 HG2 ARG 37 2HG ARG 37 25.982 23.577 25.171 19 HG3 ARG 37 1HG ARG 37 24.794 24.812 25.590 20 HD2 ARG 37 2HD ARG 37 23.591 23.126 26.984 21 HD3 ARG 37 1HD ARG 37 24.864 21.960 26.624 22 HH11 ARG 37 1HH1 ARG 37 24.541 25.864 27.898 23 HH12 ARG 37 2HH1 ARG 37 23.998 25.811 29.543 24 HH21 ARG 37 1HH2 ARG 37 25.095 22.565 30.079 25 HH22 ARG 37 2HH2 ARG 37 24.311 23.943 30.776 26 H LYS 38 HN LYS 38 22.074 24.366 22.259 27 HA LYS 38 HA LYS 38 21.532 22.023 20.707 28 HB2 LYS 38 2HB LYS 38 20.246 24.735 20.314 29 HB3 LYS 38 1HB LYS 38 19.538 23.151 19.998 30 HG2 LYS 38 2HG LYS 38 19.781 22.651 22.464 31 HG3 LYS 38 1HG LYS 38 20.247 24.337 22.694 32 HD2 LYS 38 2HD LYS 38 18.096 25.050 21.682 33 HD3 LYS 38 1HD LYS 38 17.628 23.359 21.515 34 HE2 LYS 38 2HE LYS 38 16.968 23.268 23.668 35 HE3 LYS 38 1HE LYS 38 18.522 23.899 24.216 36 HZ1 LYS 38 3HZ LYS 38 16.281 25.543 23.171 37 HZ2 LYS 38 1HZ LYS 38 17.762 26.129 23.757 38 HZ3 LYS 38 2HZ LYS 38 16.677 25.358 24.813 39 H GLY 39 HN GLY 39 20.628 22.826 18.241 40 HA2 GLY 39 1HA GLY 39 22.027 24.543 16.626 41 HA3 GLY 39 2HA GLY 39 23.142 23.190 16.794 42 H ASN 40 HN ASN 40 22.865 22.734 14.498 43 HA ASN 40 HA ASN 40 20.721 20.842 13.994 44 HB2 ASN 40 2HB ASN 40 19.655 23.145 13.635 45 HB3 ASN 40 1HB ASN 40 20.727 23.307 12.244 46 HD21 ASN 40 1HD2 ASN 40 18.794 23.249 10.810 47 HD22 ASN 40 2HD2 ASN 40 18.015 21.777 10.487 48 H THR 41 HN THR 41 21.882 19.295 12.958 49 HA THR 41 HA THR 41 24.294 19.950 11.457 50 HB THR 41 HB THR 41 22.807 17.313 11.645 51 HG1 THR 41 1HG THR 41 23.705 17.093 13.525 52 HG21 THR 41 3HG2 THR 41 25.721 17.316 11.356 53 HG22 THR 41 1HG2 THR 41 24.895 18.056 9.985 54 HG23 THR 41 2HG2 THR 41 24.504 16.404 10.460 55 H LEU 42 HN LEU 42 24.588 19.722 9.192 56 HA LEU 42 HA LEU 42 22.058 19.526 7.604 57 HG LEU 42 HG LEU 42 21.780 21.704 8.310 58 HB2 LEU 42 2HB LEU 42 24.465 21.304 7.093 59 HB3 LEU 42 1HB LEU 42 23.081 21.140 6.012 60 HD11 LEU 42 1HD1 LEU 42 23.443 22.149 9.843 61 HD12 LEU 42 2HD1 LEU 42 23.309 23.753 9.123 62 HD13 LEU 42 3HD1 LEU 42 24.592 22.658 8.607 63 HD21 LEU 42 3HD2 LEU 42 22.534 24.232 7.320 64 HD22 LEU 42 1HD2 LEU 42 21.124 23.286 6.845 65 HD23 LEU 42 2HD2 LEU 42 22.631 23.137 5.941 66 H TYR 43 HN TYR 43 22.290 18.515 5.516 67 HA TYR 43 HA TYR 43 24.748 16.823 5.315 68 HD1 TYR 43 HD1 TYR 43 22.650 16.060 1.928 69 HD2 TYR 43 HD2 TYR 43 24.436 13.816 5.127 70 HE1 TYR 43 HE1 TYR 43 23.629 14.487 0.279 71 HE2 TYR 43 HE2 TYR 43 25.416 12.244 3.477 72 HH TYR 43 HH TYR 43 24.863 12.675 -0.023 73 HB2 TYR 43 2HB TYR 43 22.733 15.485 5.578 74 HB3 TYR 43 1HB TYR 43 21.937 16.362 4.271 75 H VAL 44 HN VAL 44 26.126 17.684 3.834 76 HA VAL 44 HA VAL 44 24.950 19.000 1.425 77 HB VAL 44 HB VAL 44 27.753 19.234 2.561 78 HG11 VAL 44 1HG1 VAL 44 26.593 19.921 0.018 79 HG12 VAL 44 2HG1 VAL 44 28.252 20.158 0.570 80 HG13 VAL 44 3HG1 VAL 44 27.036 21.399 0.874 81 HG21 VAL 44 3HG2 VAL 44 27.037 21.478 3.274 82 HG22 VAL 44 1HG2 VAL 44 26.029 20.242 4.026 83 HG23 VAL 44 2HG2 VAL 44 25.416 21.165 2.654 84 H TYR 45 HN TYR 45 25.604 18.301 -0.633 85 HA TYR 45 HA TYR 45 27.446 15.950 -0.705 86 HD1 TYR 45 HD1 TYR 45 26.596 13.205 -1.072 87 HD2 TYR 45 HD2 TYR 45 25.788 15.773 -4.420 88 HE1 TYR 45 HE1 TYR 45 27.515 11.490 -2.610 89 HE2 TYR 45 HE2 TYR 45 26.705 14.057 -5.957 90 HH TYR 45 HH TYR 45 28.472 12.067 -5.645 91 HB2 TYR 45 2HB TYR 45 25.109 15.159 -0.866 92 HB3 TYR 45 1HB TYR 45 24.840 16.240 -2.233 93 H GLY 46 HN GLY 46 28.939 16.041 -2.351 94 HA2 GLY 46 1HA GLY 46 28.599 17.313 -4.861 95 HA3 GLY 46 2HA GLY 46 29.352 18.482 -3.775 96 H GLU 47 HN GLU 47 31.115 18.129 -5.521 97 HA GLU 47 HA GLU 47 32.860 15.863 -4.639 98 HB2 GLU 47 2HB GLU 47 32.630 17.068 -7.415 99 HB3 GLU 47 1HB GLU 47 33.768 15.805 -6.942 100 HG2 GLU 47 2HG GLU 47 31.837 14.364 -6.291 101 HG3 GLU 47 1HG GLU 47 30.740 15.612 -6.884 102 H ASP 48 HN ASP 48 35.180 16.344 -4.742 103 HA ASP 48 HA ASP 48 36.940 17.756 -4.055 104 HB2 ASP 48 2HB ASP 48 35.770 19.474 -6.264 105 HB3 ASP 48 1HB ASP 48 37.429 19.519 -5.668 106 H MET 49 HN MET 49 34.912 18.068 -2.274 107 HA MET 49 HA MET 49 34.454 21.003 -2.041 108 HB2 MET 49 2HB MET 49 33.191 18.670 -0.577 109 HB3 MET 49 1HB MET 49 32.799 20.365 -0.293 110 HG2 MET 49 2HG MET 49 32.193 20.559 -2.727 111 HG3 MET 49 1HG MET 49 32.420 18.817 -2.872 112 HE1 MET 49 3HE MET 49 31.570 17.244 -1.215 113 HE2 MET 49 1HE MET 49 29.904 17.224 -0.620 114 HE3 MET 49 2HE MET 49 31.165 18.031 0.309 115 H THR 50 HN THR 50 35.362 22.155 -0.354 116 HA THR 50 HA THR 50 37.085 20.592 1.530 117 HB THR 50 HB THR 50 38.186 23.038 1.660 118 HG1 THR 50 1HG THR 50 37.494 22.890 -1.055 119 HG21 THR 50 3HG2 THR 50 39.279 20.876 1.030 120 HG22 THR 50 1HG2 THR 50 39.862 22.248 0.087 121 HG23 THR 50 2HG2 THR 50 38.712 21.115 -0.623 122 HA PRO 51 HA PRO 51 34.924 22.332 4.978 123 HB2 PRO 51 2HB PRO 51 36.909 22.939 6.706 124 HB3 PRO 51 1HB PRO 51 36.416 21.281 6.356 125 HG2 PRO 51 2HG PRO 51 38.728 22.843 5.268 126 HG3 PRO 51 1HG PRO 51 38.679 21.164 5.812 127 HD2 PRO 51 1HD PRO 51 38.594 21.836 3.192 128 HD3 PRO 51 2HD PRO 51 37.768 20.413 3.826 129 H THR 52 HN THR 52 37.878 24.282 4.390 130 HA THR 52 HA THR 52 36.943 26.700 5.488 131 HB THR 52 HB THR 52 38.689 26.435 3.024 132 HG1 THR 52 1HG THR 52 40.367 26.506 4.659 133 HG21 THR 52 3HG2 THR 52 37.671 28.698 4.160 134 HG22 THR 52 1HG2 THR 52 39.209 28.632 3.299 135 HG23 THR 52 2HG2 THR 52 39.179 28.517 5.058 136 H LEU 53 HN LEU 53 36.534 25.435 2.182 137 HA LEU 53 HA LEU 53 35.168 27.709 1.129 138 HG LEU 53 HG LEU 53 34.447 25.951 -1.930 139 HB2 LEU 53 2HB LEU 53 36.090 25.760 -0.201 140 HB3 LEU 53 1HB LEU 53 34.703 24.819 0.343 141 HD11 LEU 53 1HD1 LEU 53 32.199 25.950 -1.581 142 HD12 LEU 53 2HD1 LEU 53 32.310 27.125 -0.270 143 HD13 LEU 53 3HD1 LEU 53 32.622 25.419 0.047 144 HD21 LEU 53 3HD2 LEU 53 34.155 28.295 -2.049 145 HD22 LEU 53 1HD2 LEU 53 35.559 28.095 -1.001 146 HD23 LEU 53 2HD2 LEU 53 33.980 28.447 -0.300 147 H LEU 54 HN LEU 54 33.921 24.733 2.660 148 HA LEU 54 HA LEU 54 31.156 25.412 2.436 149 HG LEU 54 HG LEU 54 32.315 23.276 1.807 150 HB2 LEU 54 2HB LEU 54 32.605 23.715 4.490 151 HB3 LEU 54 1HB LEU 54 30.851 23.792 4.323 152 HD11 LEU 54 1HD1 LEU 54 33.497 21.980 3.761 153 HD12 LEU 54 2HD1 LEU 54 33.066 21.113 2.287 154 HD13 LEU 54 3HD1 LEU 54 32.050 20.973 3.722 155 HD21 LEU 54 3HD2 LEU 54 29.752 22.711 3.099 156 HD22 LEU 54 1HD2 LEU 54 30.411 21.303 2.267 157 HD23 LEU 54 2HD2 LEU 54 30.144 22.806 1.383 158 H ARG 55 HN ARG 55 33.520 25.998 5.044 159 HA ARG 55 HA ARG 55 31.816 27.185 6.936 160 HE ARG 55 HE ARG 55 35.317 24.589 9.204 161 HB2 ARG 55 2HB ARG 55 34.689 27.791 6.203 162 HB3 ARG 55 1HB ARG 55 33.876 28.561 7.567 163 HG2 ARG 55 2HG ARG 55 33.362 26.307 8.491 164 HG3 ARG 55 1HG ARG 55 34.262 25.578 7.162 165 HD2 ARG 55 2HD ARG 55 36.231 27.061 7.919 166 HD3 ARG 55 1HD ARG 55 35.311 27.313 9.402 167 HH11 ARG 55 1HH1 ARG 55 37.763 24.746 7.511 168 HH12 ARG 55 2HH1 ARG 55 39.033 24.719 8.688 169 HH21 ARG 55 1HH2 ARG 55 36.952 25.526 11.341 170 HH22 ARG 55 2HH2 ARG 55 38.575 25.160 10.857 171 H GLY 56 HN GLY 56 33.302 28.622 4.052 172 HA2 GLY 56 2HA GLY 56 32.355 31.300 4.592 173 HA3 GLY 56 1HA GLY 56 32.941 30.713 3.035 174 H ALA 57 HN ALA 57 31.045 28.507 2.865 175 HA ALA 57 HA ALA 57 28.788 29.980 1.761 176 HB1 ALA 57 1HB ALA 57 29.410 28.013 0.572 177 HB2 ALA 57 2HB ALA 57 27.899 27.598 1.382 178 HB3 ALA 57 3HB ALA 57 29.437 27.041 2.043 179 H PHE 58 HN PHE 58 29.498 28.391 4.772 180 HA PHE 58 HA PHE 58 26.642 28.752 5.593 181 HD1 PHE 58 HD1 PHE 58 25.107 26.370 6.189 182 HD2 PHE 58 HD2 PHE 58 28.991 25.699 4.482 183 HE1 PHE 58 HE1 PHE 58 24.116 24.791 4.553 184 HE2 PHE 58 HE2 PHE 58 28.000 24.121 2.846 185 HZ PHE 58 HZ PHE 58 25.562 23.666 2.881 186 HB2 PHE 58 2HB PHE 58 28.746 26.824 6.620 187 HB3 PHE 58 1HB PHE 58 27.164 27.047 7.364 188 H SER 59 HN SER 59 29.443 30.339 5.741 189 HA SER 59 HA SER 59 29.743 30.817 8.584 190 HG SER 59 HG SER 59 32.763 31.808 7.531 191 HB2 SER 59 2HB SER 59 30.978 31.749 6.096 192 HB3 SER 59 1HB SER 59 30.831 33.022 7.307 193 HA PRO 60 HA PRO 60 27.425 34.974 7.590 194 HB2 PRO 60 2HB PRO 60 26.203 35.165 5.186 195 HB3 PRO 60 1HB PRO 60 27.869 35.678 5.463 196 HG2 PRO 60 2HG PRO 60 26.843 33.131 4.266 197 HG3 PRO 60 1HG PRO 60 28.183 34.150 3.729 198 HD2 PRO 60 2HD PRO 60 28.584 31.882 5.140 199 HD3 PRO 60 1HD PRO 60 29.639 33.286 5.306 200 H PHE 61 HN PHE 61 26.047 32.020 6.172 201 HA PHE 61 HA PHE 61 23.300 32.674 6.579 202 HD1 PHE 61 HD1 PHE 61 25.717 30.898 4.268 203 HD2 PHE 61 HD2 PHE 61 21.488 30.850 5.021 204 HE1 PHE 61 HE1 PHE 61 25.283 31.255 1.853 205 HE2 PHE 61 HE2 PHE 61 21.053 31.206 2.605 206 HZ PHE 61 HZ PHE 61 22.951 31.408 1.021 207 HB2 PHE 61 2HB PHE 61 24.806 30.068 6.392 208 HB3 PHE 61 1HB PHE 61 23.071 30.094 6.709 209 H GLY 62 HN GLY 62 25.757 31.380 8.757 210 HA2 GLY 62 1HA GLY 62 24.453 32.256 11.111 211 HA3 GLY 62 2HA GLY 62 23.997 30.571 10.863 212 H ASN 63 HN ASN 63 25.292 30.586 13.043 213 HA ASN 63 HA ASN 63 28.222 30.495 12.580 214 HB2 ASN 63 2HB ASN 63 26.570 30.270 15.115 215 HB3 ASN 63 1HB ASN 63 28.331 30.211 15.062 216 HD21 ASN 63 1HD2 ASN 63 27.019 32.285 16.504 217 HD22 ASN 63 2HD2 ASN 63 27.271 33.758 15.697 218 H ILE 64 HN ILE 64 29.428 28.577 12.924 219 HA ILE 64 HA ILE 64 27.772 26.086 12.930 220 HB ILE 64 HB ILE 64 30.590 26.475 11.876 221 HG12 ILE 64 2HG1 ILE 64 28.060 26.116 10.259 222 HG13 ILE 64 1HG1 ILE 64 28.697 27.711 10.661 223 HG21 ILE 64 1HG2 ILE 64 28.639 24.183 11.959 224 HG22 ILE 64 2HG2 ILE 64 30.355 24.190 12.367 225 HG23 ILE 64 3HG2 ILE 64 29.849 24.276 10.679 226 HD11 ILE 64 3HD1 ILE 64 30.944 26.785 9.709 227 HD12 ILE 64 1HD1 ILE 64 29.686 27.273 8.575 228 HD13 ILE 64 2HD1 ILE 64 29.927 25.565 8.944 229 H ILE 65 HN ILE 65 27.959 24.831 14.717 230 HA ILE 65 HA ILE 65 30.129 25.426 16.646 231 HB ILE 65 HB ILE 65 28.827 24.129 18.231 232 HG12 ILE 65 2HG1 ILE 65 27.024 23.454 15.887 233 HG13 ILE 65 1HG1 ILE 65 28.169 22.338 16.631 234 HG21 ILE 65 1HG2 ILE 65 27.675 26.067 18.406 235 HG22 ILE 65 2HG2 ILE 65 26.437 25.301 17.410 236 HG23 ILE 65 3HG2 ILE 65 27.677 26.307 16.659 237 HD11 ILE 65 3HD1 ILE 65 26.763 23.301 18.809 238 HD12 ILE 65 1HD1 ILE 65 26.455 21.765 17.999 239 HD13 ILE 65 2HD1 ILE 65 25.519 23.194 17.563 240 H ASP 66 HN ASP 66 29.083 22.950 14.412 241 HA ASP 66 HA ASP 66 31.568 21.439 15.038 242 HB2 ASP 66 2HB ASP 66 29.626 20.367 16.222 243 HB3 ASP 66 1HB ASP 66 28.867 20.117 14.651 244 H LEU 67 HN LEU 67 32.635 20.913 13.180 245 HA LEU 67 HA LEU 67 31.075 20.999 10.627 246 HG LEU 67 HG LEU 67 33.201 20.688 8.877 247 HB2 LEU 67 2HB LEU 67 32.573 22.925 10.768 248 HB3 LEU 67 1HB LEU 67 33.933 21.868 11.138 249 HD11 LEU 67 1HD1 LEU 67 31.928 23.409 8.810 250 HD12 LEU 67 2HD1 LEU 67 31.294 21.871 8.226 251 HD13 LEU 67 3HD1 LEU 67 32.555 22.706 7.319 252 HD21 LEU 67 3HD2 LEU 67 35.198 22.463 9.641 253 HD22 LEU 67 1HD2 LEU 67 34.519 23.211 8.195 254 HD23 LEU 67 2HD2 LEU 67 35.147 21.565 8.124 255 H SER 68 HN SER 68 31.018 19.028 9.677 256 HA SER 68 HA SER 68 33.389 17.240 10.023 257 HG SER 68 HG SER 68 31.725 14.804 9.148 258 HB2 SER 68 2HB SER 68 31.513 16.450 11.433 259 HB3 SER 68 1HB SER 68 30.472 16.402 10.011 260 H MET 69 HN MET 69 34.040 16.176 8.153 261 HA MET 69 HA MET 69 32.385 16.671 5.709 262 HB2 MET 69 2HB MET 69 35.408 16.694 5.974 263 HB3 MET 69 1HB MET 69 34.530 16.820 4.449 264 HG2 MET 69 2HG MET 69 33.360 18.847 5.371 265 HG3 MET 69 1HG MET 69 34.419 18.758 6.779 266 HE1 MET 69 3HE MET 69 35.062 19.927 2.538 267 HE2 MET 69 1HE MET 69 34.005 18.675 3.205 268 HE3 MET 69 2HE MET 69 35.645 18.273 2.707 269 H ASP 70 HN ASP 70 32.385 14.964 4.155 270 HA ASP 70 HA ASP 70 33.610 12.404 5.101 271 HB2 ASP 70 2HB ASP 70 30.809 13.052 4.628 272 HB3 ASP 70 1HB ASP 70 31.341 11.704 3.622 273 HA PRO 71 HA PRO 71 35.176 13.039 0.878 274 HB2 PRO 71 2HB PRO 71 37.392 11.533 1.199 275 HB3 PRO 71 1HB PRO 71 37.276 13.217 1.707 276 HG2 PRO 71 2HG PRO 71 37.147 10.734 3.334 277 HG3 PRO 71 1HG PRO 71 37.823 12.308 3.746 278 HD2 PRO 71 2HD PRO 71 35.364 11.389 4.611 279 HD3 PRO 71 1HD PRO 71 35.833 13.086 4.542 280 HA PRO 72 HA PRO 72 34.960 8.232 0.233 281 HB2 PRO 72 2HB PRO 72 33.509 6.827 2.016 282 HB3 PRO 72 1HB PRO 72 35.248 7.076 2.183 283 HG2 PRO 72 2HG PRO 72 32.991 8.434 3.576 284 HG3 PRO 72 1HG PRO 72 34.570 7.960 4.205 285 HD2 PRO 72 1HD PRO 72 33.911 10.517 3.472 286 HD3 PRO 72 2HD PRO 72 35.556 9.896 3.509 287 H ARG 73 HN ARG 73 32.305 10.091 1.582 288 HA ARG 73 HA ARG 73 30.454 8.761 -0.352 289 HE ARG 73 HE ARG 73 28.617 6.018 3.846 290 HB2 ARG 73 2HB ARG 73 29.838 10.329 2.170 291 HB3 ARG 73 1HB ARG 73 28.628 9.651 1.081 292 HG2 ARG 73 2HG ARG 73 29.593 7.386 1.473 293 HG3 ARG 73 1HG ARG 73 30.721 8.094 2.629 294 HD2 ARG 73 2HD ARG 73 28.710 8.986 3.888 295 HD3 ARG 73 1HD ARG 73 27.699 8.008 2.824 296 HH11 ARG 73 1HH1 ARG 73 31.323 7.495 4.368 297 HH12 ARG 73 2HH1 ARG 73 31.354 7.446 6.099 298 HH21 ARG 73 1HH2 ARG 73 28.006 6.596 6.398 299 HH22 ARG 73 2HH2 ARG 73 29.476 6.937 7.248 300 H ASN 74 HN ASN 74 32.327 11.471 -0.028 301 HA ASN 74 HA ASN 74 32.325 13.538 -1.138 302 HB2 ASN 74 2HB ASN 74 30.092 12.245 -2.731 303 HB3 ASN 74 1HB ASN 74 30.989 13.688 -3.200 304 HD21 ASN 74 1HD2 ASN 74 33.462 12.224 -1.878 305 HD22 ASN 74 2HD2 ASN 74 33.974 11.186 -3.117 306 H CYS 75 HN CYS 75 30.896 13.427 1.270 307 HA CYS 75 HA CYS 75 28.848 15.509 0.745 308 HG CYS 75 HG CYS 75 29.327 12.783 3.341 309 HB2 CYS 75 2HB CYS 75 27.269 14.400 2.322 310 HB3 CYS 75 1HB CYS 75 27.561 13.428 0.880 311 H ALA 76 HN ALA 76 28.788 17.059 2.374 312 HA ALA 76 HA ALA 76 30.675 16.610 4.652 313 HB1 ALA 76 1HB ALA 76 30.308 18.830 2.792 314 HB2 ALA 76 2HB ALA 76 31.646 18.504 3.894 315 HB3 ALA 76 3HB ALA 76 30.213 19.354 4.473 316 H PHE 77 HN PHE 77 30.036 17.714 6.697 317 HA PHE 77 HA PHE 77 27.066 17.996 6.922 318 HD1 PHE 77 HD1 PHE 77 29.720 15.074 7.232 319 HD2 PHE 77 HD2 PHE 77 25.557 15.674 8.100 320 HE1 PHE 77 HE1 PHE 77 29.174 12.945 6.083 321 HE2 PHE 77 HE2 PHE 77 25.009 13.545 6.952 322 HZ PHE 77 HZ PHE 77 26.818 12.181 5.943 323 HB2 PHE 77 2HB PHE 77 28.978 16.726 8.904 324 HB3 PHE 77 1HB PHE 77 27.263 17.008 9.197 325 H VAL 78 HN VAL 78 26.369 19.788 8.050 326 HA VAL 78 HA VAL 78 28.443 21.399 9.475 327 HB VAL 78 HB VAL 78 26.243 22.534 7.730 328 HG11 VAL 78 1HG1 VAL 78 26.857 24.086 9.449 329 HG12 VAL 78 2HG1 VAL 78 27.702 24.605 7.990 330 HG13 VAL 78 3HG1 VAL 78 28.572 23.727 9.248 331 HG21 VAL 78 3HG2 VAL 78 27.593 21.966 6.007 332 HG22 VAL 78 1HG2 VAL 78 28.914 21.523 7.088 333 HG23 VAL 78 2HG2 VAL 78 28.691 23.207 6.612 334 H THR 79 HN THR 79 27.738 22.290 11.416 335 HA THR 79 HA THR 79 24.923 21.637 12.185 336 HB THR 79 HB THR 79 27.093 22.268 14.170 337 HG1 THR 79 1HG THR 79 26.565 19.642 13.332 338 HG21 THR 79 3HG2 THR 79 25.739 20.762 15.573 339 HG22 THR 79 1HG2 THR 79 24.660 20.457 14.212 340 HG23 THR 79 2HG2 THR 79 24.751 22.071 14.922 341 H TYR 80 HN TYR 80 23.604 23.383 12.340 342 HA TYR 80 HA TYR 80 24.844 26.073 12.620 343 HD1 TYR 80 HD1 TYR 80 24.860 27.763 11.717 344 HD2 TYR 80 HD2 TYR 80 22.399 25.387 9.120 345 HE1 TYR 80 HE1 TYR 80 25.957 28.786 9.743 346 HE2 TYR 80 HE2 TYR 80 23.495 26.410 7.145 347 HH TYR 80 HH TYR 80 25.891 29.007 7.514 348 HB2 TYR 80 2HB TYR 80 22.330 25.017 11.437 349 HB3 TYR 80 1HB TYR 80 22.227 26.602 12.203 350 H GLU 81 HN GLU 81 24.440 27.355 14.404 351 HA GLU 81 HA GLU 81 23.787 26.272 16.890 352 HB2 GLU 81 2HB GLU 81 24.762 28.572 16.416 353 HB3 GLU 81 1HB GLU 81 23.115 29.113 16.091 354 HG2 GLU 81 2HG GLU 81 22.435 28.391 18.356 355 HG3 GLU 81 1HG GLU 81 24.086 27.864 18.681 356 H LYS 82 HN LYS 82 21.617 27.272 14.339 357 HA LYS 82 HA LYS 82 19.354 26.256 15.973 358 HB2 LYS 82 2HB LYS 82 19.326 28.917 14.517 359 HB3 LYS 82 1HB LYS 82 17.946 28.178 15.328 360 HG2 LYS 82 2HG LYS 82 19.161 28.250 17.474 361 HG3 LYS 82 1HG LYS 82 20.548 28.979 16.665 362 HD2 LYS 82 2HD LYS 82 19.138 30.902 15.997 363 HD3 LYS 82 1HD LYS 82 17.767 30.178 16.837 364 HE2 LYS 82 2HE LYS 82 18.593 31.625 18.471 365 HE3 LYS 82 1HE LYS 82 19.423 30.125 18.884 366 HZ1 LYS 82 3HZ LYS 82 21.031 31.847 18.839 367 HZ2 LYS 82 1HZ LYS 82 20.500 32.410 17.329 368 HZ3 LYS 82 2HZ LYS 82 21.282 30.906 17.447 369 H MET 83 HN MET 83 17.471 25.707 14.616 370 HA MET 83 HA MET 83 18.291 24.490 12.116 371 HB2 MET 83 2HB MET 83 15.529 24.869 13.314 372 HB3 MET 83 1HB MET 83 15.905 23.835 11.936 373 HG2 MET 83 2HG MET 83 17.512 22.575 13.397 374 HG3 MET 83 1HG MET 83 16.960 23.541 14.766 375 HE1 MET 83 3HE MET 83 16.473 21.470 16.032 376 HE2 MET 83 1HE MET 83 16.825 20.323 14.732 377 HE3 MET 83 2HE MET 83 15.308 20.215 15.620 378 H GLU 84 HN GLU 84 17.025 27.571 13.007 379 HA GLU 84 HA GLU 84 15.727 28.236 10.523 380 HB2 GLU 84 2HB GLU 84 16.970 29.962 12.682 381 HB3 GLU 84 1HB GLU 84 16.073 30.612 11.310 382 HG2 GLU 84 2HG GLU 84 14.114 29.217 11.984 383 HG3 GLU 84 1HG GLU 84 15.014 28.694 13.407 384 H SER 85 HN SER 85 18.987 29.019 11.791 385 HA SER 85 HA SER 85 19.943 30.354 9.484 386 HG SER 85 HG SER 85 20.773 29.745 12.741 387 HB2 SER 85 2HB SER 85 21.628 28.538 11.223 388 HB3 SER 85 1HB SER 85 22.146 29.976 10.342 389 H ALA 86 HN ALA 86 19.622 26.917 10.179 390 HA ALA 86 HA ALA 86 21.168 26.047 7.879 391 HB1 ALA 86 1HB ALA 86 20.176 23.828 8.363 392 HB2 ALA 86 2HB ALA 86 19.091 24.578 9.534 393 HB3 ALA 86 3HB ALA 86 20.831 24.572 9.821 394 H ASP 87 HN ASP 87 17.839 26.966 8.449 395 HA ASP 87 HA ASP 87 16.737 25.760 6.071 396 HB2 ASP 87 2HB ASP 87 15.350 26.524 7.992 397 HB3 ASP 87 1HB ASP 87 15.764 28.193 7.601 398 H GLN 88 HN GLN 88 18.012 29.008 6.798 399 HA GLN 88 HA GLN 88 17.485 30.061 4.163 400 HB2 GLN 88 2HB GLN 88 17.880 31.486 6.174 401 HB3 GLN 88 1HB GLN 88 19.564 30.962 6.180 402 HG2 GLN 88 2HG GLN 88 19.827 31.867 3.878 403 HG3 GLN 88 1HG GLN 88 18.163 32.448 3.937 404 HE21 GLN 88 1HE2 GLN 88 20.016 34.424 3.566 405 HE22 GLN 88 2HE2 GLN 88 20.273 35.306 4.993 406 H ALA 89 HN ALA 89 20.255 28.428 5.649 407 HA ALA 89 HA ALA 89 22.000 28.832 3.364 408 HB1 ALA 89 1HB ALA 89 22.814 26.529 4.814 409 HB2 ALA 89 2HB ALA 89 22.192 27.682 5.995 410 HB3 ALA 89 3HB ALA 89 23.496 28.153 4.904 411 H VAL 90 HN VAL 90 19.991 26.125 4.529 412 HA VAL 90 HA VAL 90 20.698 24.339 2.387 413 HB VAL 90 HB VAL 90 18.236 24.444 4.157 414 HG11 VAL 90 1HG1 VAL 90 17.821 22.154 3.428 415 HG12 VAL 90 2HG1 VAL 90 19.261 22.185 2.410 416 HG13 VAL 90 3HG1 VAL 90 17.879 23.206 2.014 417 HG21 VAL 90 3HG2 VAL 90 19.543 23.497 5.727 418 HG22 VAL 90 1HG2 VAL 90 20.936 23.756 4.677 419 HG23 VAL 90 2HG2 VAL 90 20.041 22.239 4.596 420 H ALA 91 HN ALA 91 18.115 26.738 2.797 421 HA ALA 91 HA ALA 91 16.860 26.037 0.251 422 HB1 ALA 91 1HB ALA 91 16.463 28.486 1.997 423 HB2 ALA 91 2HB ALA 91 15.561 26.978 2.153 424 HB3 ALA 91 3HB ALA 91 15.402 27.953 0.692 425 H GLU 92 HN GLU 92 19.261 28.345 1.371 426 HA GLU 92 HA GLU 92 19.197 29.775 -1.218 427 HB2 GLU 92 2HB GLU 92 19.586 30.821 1.158 428 HB3 GLU 92 1HB GLU 92 21.243 30.270 0.924 429 HG2 GLU 92 2HG GLU 92 21.270 31.471 -1.273 430 HG3 GLU 92 1HG GLU 92 19.677 32.118 -0.892 431 H LEU 93 HN LEU 93 21.473 27.796 0.695 432 HA LEU 93 HA LEU 93 23.528 27.816 -1.331 433 HG LEU 93 HG LEU 93 23.301 28.308 1.470 434 HB2 LEU 93 2HB LEU 93 23.040 25.795 0.879 435 HB3 LEU 93 1HB LEU 93 24.539 25.999 -0.026 436 HD11 LEU 93 1HD1 LEU 93 24.620 27.753 3.414 437 HD12 LEU 93 2HD1 LEU 93 25.368 26.391 2.580 438 HD13 LEU 93 3HD1 LEU 93 23.658 26.332 3.007 439 HD21 LEU 93 3HD2 LEU 93 25.020 29.255 0.316 440 HD22 LEU 93 1HD2 LEU 93 25.806 27.702 0.026 441 HD23 LEU 93 2HD2 LEU 93 26.029 28.529 1.567 442 H ASN 94 HN ASN 94 20.934 25.512 -0.507 443 HA ASN 94 HA ASN 94 21.644 23.548 -2.463 444 HB2 ASN 94 2HB ASN 94 20.031 23.198 -0.565 445 HB3 ASN 94 1HB ASN 94 18.863 24.183 -1.446 446 HD21 ASN 94 1HD2 ASN 94 17.476 22.986 -2.753 447 HD22 ASN 94 2HD2 ASN 94 17.831 21.466 -3.422 448 H GLY 95 HN GLY 95 21.450 23.624 -4.650 449 HA2 GLY 95 2HA GLY 95 20.219 24.098 -6.685 450 HA3 GLY 95 1HA GLY 95 19.397 25.412 -5.844 451 H THR 96 HN THR 96 22.771 25.225 -5.264 452 HA THR 96 HA THR 96 23.202 27.472 -7.194 453 HB THR 96 HB THR 96 24.717 28.465 -5.639 454 HG1 THR 96 1HG THR 96 24.538 25.964 -4.336 455 HG21 THR 96 3HG2 THR 96 22.298 27.318 -4.232 456 HG22 THR 96 1HG2 THR 96 22.452 28.905 -4.987 457 HG23 THR 96 2HG2 THR 96 23.343 28.541 -3.508 458 H GLN 97 HN GLN 97 25.373 27.572 -8.148 459 HA GLN 97 HA GLN 97 26.681 24.881 -8.239 460 HB2 GLN 97 2HB GLN 97 25.539 25.578 -10.361 461 HB3 GLN 97 1HB GLN 97 26.615 26.973 -10.434 462 HG2 GLN 97 2HG GLN 97 28.568 25.427 -10.429 463 HG3 GLN 97 1HG GLN 97 27.456 24.058 -10.445 464 HE21 GLN 97 1HE2 GLN 97 29.209 24.272 -12.598 465 HE22 GLN 97 2HE2 GLN 97 28.372 24.769 -13.989 466 H VAL 98 HN VAL 98 28.904 24.826 -7.960 467 HA VAL 98 HA VAL 98 30.151 27.275 -6.921 468 HB VAL 98 HB VAL 98 31.724 24.773 -7.375 469 HG11 VAL 98 1HG1 VAL 98 33.063 26.003 -6.037 470 HG12 VAL 98 2HG1 VAL 98 31.915 25.687 -4.736 471 HG13 VAL 98 3HG1 VAL 98 31.770 27.155 -5.702 472 HG21 VAL 98 3HG2 VAL 98 29.856 23.643 -6.560 473 HG22 VAL 98 1HG2 VAL 98 29.302 25.028 -5.620 474 HG23 VAL 98 2HG2 VAL 98 30.672 24.072 -5.057 475 H GLU 99 HN GLU 99 32.845 26.444 -7.890 476 HA GLU 99 HA GLU 99 33.003 28.090 -10.208 477 HB2 GLU 99 2HB GLU 99 34.902 25.935 -9.229 478 HB3 GLU 99 1HB GLU 99 35.290 27.130 -10.467 479 HG2 GLU 99 2HG GLU 99 34.462 27.773 -7.619 480 HG3 GLU 99 1HG GLU 99 36.114 27.827 -8.232 481 H SER 100 HN SER 100 32.814 24.551 -9.863 482 HA SER 100 HA SER 100 31.672 24.354 -12.555 483 HG SER 100 HG SER 100 32.639 23.220 -14.259 484 HB2 SER 100 2HB SER 100 34.169 24.383 -12.924 485 HB3 SER 100 1HB SER 100 34.270 22.908 -11.964 486 H VAL 101 HN VAL 101 30.918 23.706 -9.774 487 HA VAL 101 HA VAL 101 30.172 20.881 -10.257 488 HB VAL 101 HB VAL 101 31.487 21.824 -7.690 489 HG11 VAL 101 1HG1 VAL 101 31.408 19.185 -7.422 490 HG12 VAL 101 2HG1 VAL 101 30.035 19.339 -8.518 491 HG13 VAL 101 3HG1 VAL 101 30.022 20.176 -6.966 492 HG21 VAL 101 3HG2 VAL 101 33.173 20.022 -8.402 493 HG22 VAL 101 1HG2 VAL 101 33.209 21.533 -9.309 494 HG23 VAL 101 2HG2 VAL 101 32.426 20.111 -9.996 495 H GLN 102 HN GLN 102 28.210 20.313 -9.208 496 HA GLN 102 HA GLN 102 26.578 22.625 -8.393 497 HB2 GLN 102 2HB GLN 102 25.866 19.689 -8.679 498 HB3 GLN 102 1HB GLN 102 24.717 20.993 -8.382 499 HG2 GLN 102 2HG GLN 102 25.366 22.060 -10.505 500 HG3 GLN 102 1HG GLN 102 26.539 20.777 -10.799 501 HE21 GLN 102 1HE2 GLN 102 24.426 21.212 -12.651 502 HE22 GLN 102 2HE2 GLN 102 23.349 19.903 -12.574 503 H LEU 103 HN LEU 103 25.657 22.875 -6.325 504 HA LEU 103 HA LEU 103 26.914 21.192 -4.200 505 HG LEU 103 HG LEU 103 28.048 23.699 -5.191 506 HB2 LEU 103 2HB LEU 103 25.817 24.018 -4.100 507 HB3 LEU 103 1HB LEU 103 26.416 23.133 -2.698 508 HD11 LEU 103 1HD1 LEU 103 29.247 25.326 -3.748 509 HD12 LEU 103 2HD1 LEU 103 28.074 25.029 -2.464 510 HD13 LEU 103 3HD1 LEU 103 27.557 25.776 -3.976 511 HD21 LEU 103 3HD2 LEU 103 29.848 23.146 -3.293 512 HD22 LEU 103 1HD2 LEU 103 29.100 21.869 -4.252 513 HD23 LEU 103 2HD2 LEU 103 28.498 22.222 -2.632 514 H LYS 104 HN LYS 104 25.579 20.077 -2.807 515 HA LYS 104 HA LYS 104 22.637 20.544 -3.102 516 HB2 LYS 104 2HB LYS 104 24.105 17.926 -2.662 517 HB3 LYS 104 1HB LYS 104 22.352 18.108 -2.661 518 HG2 LYS 104 2HG LYS 104 22.476 18.997 -4.986 519 HG3 LYS 104 1HG LYS 104 24.217 18.714 -4.977 520 HD2 LYS 104 2HD LYS 104 23.751 16.292 -4.486 521 HD3 LYS 104 1HD LYS 104 22.033 16.629 -4.701 522 HE2 LYS 104 2HE LYS 104 24.242 16.810 -6.756 523 HE3 LYS 104 1HE LYS 104 22.773 15.837 -6.819 524 HZ1 LYS 104 3HZ LYS 104 23.053 18.762 -7.122 525 HZ2 LYS 104 1HZ LYS 104 21.564 18.056 -6.725 526 HZ3 LYS 104 2HZ LYS 104 22.332 17.650 -8.186 527 H VAL 105 HN VAL 105 21.542 20.874 -1.202 528 HA VAL 105 HA VAL 105 23.037 20.344 1.336 529 HB VAL 105 HB VAL 105 21.005 22.551 0.944 530 HG11 VAL 105 1HG1 VAL 105 21.328 22.054 3.248 531 HG12 VAL 105 2HG1 VAL 105 22.356 23.452 2.935 532 HG13 VAL 105 3HG1 VAL 105 23.066 21.841 3.038 533 HG21 VAL 105 3HG2 VAL 105 23.941 23.111 1.036 534 HG22 VAL 105 1HG2 VAL 105 22.648 24.031 0.267 535 HG23 VAL 105 2HG2 VAL 105 23.254 22.559 -0.491 536 H ASN 106 HN ASN 106 21.694 19.741 3.163 537 HA ASN 106 HA ASN 106 18.845 19.219 2.726 538 HB2 ASN 106 2HB ASN 106 20.891 17.005 2.783 539 HB3 ASN 106 1HB ASN 106 19.244 16.725 3.344 540 HD21 ASN 106 1HD2 ASN 106 20.685 15.725 0.838 541 HD22 ASN 106 2HD2 ASN 106 19.674 16.184 -0.445 542 H ILE 107 HN ILE 107 18.261 17.584 4.795 543 HA ILE 107 HA ILE 107 19.442 19.018 7.137 544 HB ILE 107 HB ILE 107 16.775 17.585 6.980 545 HG12 ILE 107 2HG1 ILE 107 16.669 19.447 5.458 546 HG13 ILE 107 1HG1 ILE 107 15.863 19.951 6.944 547 HG21 ILE 107 1HG2 ILE 107 18.012 17.997 9.223 548 HG22 ILE 107 2HG2 ILE 107 16.334 18.527 9.101 549 HG23 ILE 107 3HG2 ILE 107 17.642 19.700 8.948 550 HD11 ILE 107 3HD1 ILE 107 18.554 20.764 5.879 551 HD12 ILE 107 1HD1 ILE 107 18.254 20.812 7.616 552 HD13 ILE 107 2HD1 ILE 107 17.261 21.776 6.523 553 H ALA 108 HN ALA 108 20.664 17.797 8.491 554 HA ALA 108 HA ALA 108 20.512 14.834 8.209 555 HB1 ALA 108 1HB ALA 108 22.717 16.172 7.951 556 HB2 ALA 108 2HB ALA 108 22.744 14.742 8.982 557 HB3 ALA 108 3HB ALA 108 22.652 16.347 9.705 558 H ARG 109 HN ARG 109 20.192 13.527 10.049 559 HA ARG 109 HA ARG 109 18.865 14.889 12.304 560 HE ARG 109 HE ARG 109 20.600 9.245 11.455 561 HB2 ARG 109 2HB ARG 109 18.144 12.681 12.973 562 HB3 ARG 109 1HB ARG 109 17.930 12.804 11.227 563 HG2 ARG 109 2HG ARG 109 20.213 11.734 10.973 564 HG3 ARG 109 1HG ARG 109 20.187 11.429 12.710 565 HD2 ARG 109 2HD ARG 109 18.064 10.164 12.432 566 HD3 ARG 109 1HD ARG 109 18.155 10.427 10.690 567 HH11 ARG 109 1HH1 ARG 109 18.174 8.315 9.636 568 HH12 ARG 109 2HH1 ARG 109 17.970 6.712 10.259 569 HH21 ARG 109 1HH2 ARG 109 19.940 7.264 13.059 570 HH22 ARG 109 2HH2 ARG 109 18.970 6.116 12.197 571 H LYS 110 HN LYS 110 21.926 14.744 11.723 572 HA LYS 110 HA LYS 110 23.073 13.233 13.893 573 HB2 LYS 110 2HB LYS 110 24.170 15.615 12.367 574 HB3 LYS 110 1HB LYS 110 25.112 14.573 13.434 575 HG2 LYS 110 2HG LYS 110 24.429 12.619 11.992 576 HG3 LYS 110 1HG LYS 110 23.707 13.772 10.870 577 HD2 LYS 110 2HD LYS 110 25.880 14.866 10.558 578 HD3 LYS 110 1HD LYS 110 26.615 13.778 11.736 579 HE2 LYS 110 2HE LYS 110 26.858 13.204 9.207 580 HE3 LYS 110 1HE LYS 110 26.413 11.909 10.318 581 HZ1 LYS 110 3HZ LYS 110 24.169 12.065 9.693 582 HZ2 LYS 110 1HZ LYS 110 25.040 12.103 8.239 583 HZ3 LYS 110 2HZ LYS 110 24.401 13.540 8.883 584 H GLN 111 HN GLN 111 24.732 15.103 15.182 585 HA GLN 111 HA GLN 111 24.746 16.678 16.924 586 HB2 GLN 111 2HB GLN 111 23.417 18.054 15.234 587 HB3 GLN 111 1HB GLN 111 21.962 17.466 16.034 588 HG2 GLN 111 2HG GLN 111 22.280 18.803 17.849 589 HG3 GLN 111 1HG GLN 111 24.011 18.490 17.877 590 HE21 GLN 111 1HE2 GLN 111 24.677 20.717 18.022 591 HE22 GLN 111 2HE2 GLN 111 24.419 21.827 16.764 592 HA PRO 112 HA PRO 112 21.898 13.581 19.095 593 HB2 PRO 112 2HB PRO 112 23.850 12.232 20.384 594 HB3 PRO 112 1HB PRO 112 23.287 11.791 18.769 595 HG2 PRO 112 2HG PRO 112 25.712 13.351 19.573 596 HG3 PRO 112 1HG PRO 112 25.557 12.092 18.345 597 HD2 PRO 112 2HD PRO 112 25.601 14.729 17.724 598 HD3 PRO 112 1HD PRO 112 24.692 13.550 16.778 599 H MET 113 HN MET 113 24.254 15.936 19.888 600 HA MET 113 HA MET 113 24.181 15.730 22.760 601 HB2 MET 113 2HB MET 113 24.632 18.250 21.139 602 HB3 MET 113 1HB MET 113 25.206 17.910 22.770 603 HG2 MET 113 2HG MET 113 26.858 16.448 22.030 604 HG3 MET 113 1HG MET 113 25.989 16.055 20.546 605 HE1 MET 113 3HE MET 113 25.407 17.590 18.835 606 HE2 MET 113 1HE MET 113 26.450 18.865 18.190 607 HE3 MET 113 2HE MET 113 25.277 19.235 19.450 608 H LEU 114 HN LEU 114 21.800 16.590 20.535 609 HA LEU 114 HA LEU 114 19.842 17.209 22.504 610 HG LEU 114 HG LEU 114 18.446 19.038 22.466 611 HB2 LEU 114 2HB LEU 114 21.223 19.282 22.746 612 HB3 LEU 114 1HB LEU 114 20.917 19.637 21.047 613 HD11 LEU 114 1HD1 LEU 114 19.312 19.974 24.442 614 HD12 LEU 114 2HD1 LEU 114 18.563 21.361 23.651 615 HD13 LEU 114 3HD1 LEU 114 20.310 21.134 23.567 616 HD21 LEU 114 3HD2 LEU 114 19.535 20.855 20.461 617 HD22 LEU 114 1HD2 LEU 114 18.445 21.686 21.571 618 HD23 LEU 114 2HD2 LEU 114 17.879 20.283 20.666 619 H ASP 115 HN ASP 115 20.244 15.791 19.927 620 HA ASP 115 HA ASP 115 19.139 15.495 17.863 621 HB2 ASP 115 2HB ASP 115 16.918 16.784 19.488 622 HB3 ASP 115 1HB ASP 115 16.691 15.897 17.980 623 H ALA 116 HN ALA 116 20.740 17.786 17.987 624 HA ALA 116 HA ALA 116 21.128 19.731 16.733 625 HB1 ALA 116 1HB ALA 116 20.253 19.207 14.719 626 HB2 ALA 116 2HB ALA 116 18.906 20.233 15.216 627 HB3 ALA 116 3HB ALA 116 18.811 18.486 15.427 628 H ALA 117 HN ALA 117 17.618 20.138 16.812 629 HA ALA 117 HA ALA 117 17.818 21.934 19.128 630 HB1 ALA 117 1HB ALA 117 18.368 23.058 16.723 631 HB2 ALA 117 2HB ALA 117 17.601 23.936 18.047 632 HB3 ALA 117 3HB ALA 117 16.614 23.245 16.759 633 H THR 118 HN THR 118 15.575 22.902 19.588 634 HA THR 118 HA THR 118 13.466 20.989 18.669 635 HB THR 118 HB THR 118 12.534 20.954 20.852 636 HG1 THR 118 1HG THR 118 13.734 22.416 22.438 637 HG21 THR 118 3HG2 THR 118 15.299 21.105 21.849 638 HG22 THR 118 1HG2 THR 118 15.105 20.101 20.414 639 HG23 THR 118 2HG2 THR 118 14.169 19.752 21.867 640 H GLY 119 HN GLY 119 11.234 21.939 18.800 641 HA2 GLY 119 1HA GLY 119 10.753 24.725 19.123 642 HA3 GLY 119 2HA GLY 119 11.076 24.419 17.416 643 H LYS 120 HN LYS 120 8.761 25.120 17.179 644 HA LYS 120 HA LYS 120 6.571 23.683 18.273 645 HB2 LYS 120 2HB LYS 120 6.828 25.073 15.589 646 HB3 LYS 120 1HB LYS 120 5.304 24.530 16.291 647 HG2 LYS 120 2HG LYS 120 5.773 25.960 18.290 648 HG3 LYS 120 1HG LYS 120 7.211 26.571 17.473 649 HD2 LYS 120 2HD LYS 120 5.767 27.354 15.596 650 HD3 LYS 120 1HD LYS 120 4.349 26.824 16.501 651 HE2 LYS 120 2HE LYS 120 5.783 28.362 18.336 652 HE3 LYS 120 1HE LYS 120 5.947 29.246 16.818 653 HZ1 LYS 120 3HZ LYS 120 3.886 29.620 18.330 654 HZ2 LYS 120 1HZ LYS 120 3.314 28.201 17.598 655 HZ3 LYS 120 2HZ LYS 120 3.698 29.552 16.642 656 H SER 121 HN SER 121 8.696 22.955 15.562 657 HA SER 121 HA SER 121 7.032 20.722 14.644 658 HG SER 121 HG SER 121 10.393 20.035 13.370 659 HB2 SER 121 2HB SER 121 8.461 20.610 12.849 660 HB3 SER 121 1HB SER 121 8.847 22.252 13.365 Start of MODEL 12 1 H ALA 35 HN ALA 35 19.638 20.127 25.699 2 HA ALA 35 HA ALA 35 17.780 21.989 24.599 3 HB1 ALA 35 1HB ALA 35 18.295 20.800 27.144 4 HB2 ALA 35 2HB ALA 35 16.843 21.651 26.616 5 HB3 ALA 35 3HB ALA 35 18.159 22.543 27.380 6 HA PRO 36 HA PRO 36 20.529 25.497 26.525 7 HB2 PRO 36 2HB PRO 36 22.954 24.792 27.485 8 HB3 PRO 36 1HB PRO 36 21.495 24.795 28.477 9 HG2 PRO 36 2HG PRO 36 22.865 22.501 27.126 10 HG3 PRO 36 1HG PRO 36 22.181 22.584 28.752 11 HD2 PRO 36 1HD PRO 36 20.873 21.403 26.702 12 HD3 PRO 36 2HD PRO 36 20.022 22.241 28.001 13 H ARG 37 HN ARG 37 21.739 22.950 24.530 14 HA ARG 37 HA ARG 37 23.340 24.967 23.011 15 HE ARG 37 HE ARG 37 27.569 24.194 25.949 16 HB2 ARG 37 2HB ARG 37 24.056 22.072 23.567 17 HB3 ARG 37 1HB ARG 37 24.919 23.111 22.433 18 HG2 ARG 37 2HG ARG 37 25.345 24.714 24.311 19 HG3 ARG 37 1HG ARG 37 24.603 23.558 25.417 20 HD2 ARG 37 2HD ARG 37 26.293 21.852 24.603 21 HD3 ARG 37 1HD ARG 37 27.105 23.167 23.754 22 HH11 ARG 37 1HH1 ARG 37 25.367 22.750 27.455 23 HH12 ARG 37 2HH1 ARG 37 26.278 21.601 28.377 24 HH21 ARG 37 1HH2 ARG 37 29.153 21.955 26.470 25 HH22 ARG 37 2HH2 ARG 37 28.422 21.151 27.819 26 H LYS 38 HN LYS 38 22.750 25.086 20.895 27 HA LYS 38 HA LYS 38 20.912 22.976 19.861 28 HB2 LYS 38 2HB LYS 38 21.432 25.774 18.810 29 HB3 LYS 38 1HB LYS 38 20.202 24.656 18.221 30 HG2 LYS 38 2HG LYS 38 19.072 24.698 20.380 31 HG3 LYS 38 1HG LYS 38 20.351 25.699 21.066 32 HD2 LYS 38 2HD LYS 38 19.796 27.522 19.545 33 HD3 LYS 38 1HD LYS 38 18.601 26.517 18.727 34 HE2 LYS 38 2HE LYS 38 17.040 27.034 20.267 35 HE3 LYS 38 1HE LYS 38 18.105 26.521 21.574 36 HZ1 LYS 38 3HZ LYS 38 18.916 29.006 20.418 37 HZ2 LYS 38 1HZ LYS 38 18.625 28.615 22.043 38 HZ3 LYS 38 2HZ LYS 38 17.336 29.080 21.038 39 H GLY 39 HN GLY 39 21.226 23.361 17.137 40 HA2 GLY 39 1HA GLY 39 23.547 23.634 15.819 41 HA3 GLY 39 2HA GLY 39 23.901 22.166 16.729 42 H ASN 40 HN ASN 40 21.929 23.541 14.163 43 HA ASN 40 HA ASN 40 20.587 20.980 13.626 44 HB2 ASN 40 2HB ASN 40 19.443 23.155 13.204 45 HB3 ASN 40 1HB ASN 40 20.651 23.525 11.974 46 HD21 ASN 40 1HD2 ASN 40 18.224 23.483 10.870 47 HD22 ASN 40 2HD2 ASN 40 17.879 22.021 10.081 48 H THR 41 HN THR 41 21.567 19.395 12.477 49 HA THR 41 HA THR 41 24.066 19.944 11.053 50 HB THR 41 HB THR 41 22.451 17.387 11.288 51 HG1 THR 41 1HG THR 41 24.435 17.041 12.714 52 HG21 THR 41 3HG2 THR 41 25.356 17.289 10.806 53 HG22 THR 41 1HG2 THR 41 24.419 17.948 9.467 54 HG23 THR 41 2HG2 THR 41 24.061 16.335 10.082 55 H LEU 42 HN LEU 42 24.349 19.960 8.831 56 HA LEU 42 HA LEU 42 21.862 19.724 7.182 57 HG LEU 42 HG LEU 42 21.522 21.902 7.820 58 HB2 LEU 42 2HB LEU 42 24.285 21.501 6.754 59 HB3 LEU 42 1HB LEU 42 22.937 21.344 5.626 60 HD11 LEU 42 1HD1 LEU 42 22.967 23.808 8.937 61 HD12 LEU 42 2HD1 LEU 42 24.320 22.828 8.372 62 HD13 LEU 42 3HD1 LEU 42 23.135 22.139 9.480 63 HD21 LEU 42 3HD2 LEU 42 22.416 23.309 5.545 64 HD22 LEU 42 1HD2 LEU 42 22.652 24.405 6.907 65 HD23 LEU 42 2HD2 LEU 42 21.055 23.728 6.585 66 H TYR 43 HN TYR 43 22.023 18.491 5.292 67 HA TYR 43 HA TYR 43 24.497 16.853 5.073 68 HD1 TYR 43 HD1 TYR 43 22.562 16.034 1.613 69 HD2 TYR 43 HD2 TYR 43 24.107 13.890 4.998 70 HE1 TYR 43 HE1 TYR 43 23.596 14.374 0.088 71 HE2 TYR 43 HE2 TYR 43 25.141 12.229 3.474 72 HH TYR 43 HH TYR 43 24.928 12.598 -0.064 73 HB2 TYR 43 2HB TYR 43 22.399 15.605 5.271 74 HB3 TYR 43 1HB TYR 43 21.734 16.465 3.884 75 H VAL 44 HN VAL 44 25.949 17.746 3.679 76 HA VAL 44 HA VAL 44 24.898 19.048 1.206 77 HB VAL 44 HB VAL 44 27.595 19.289 2.574 78 HG11 VAL 44 1HG1 VAL 44 28.211 19.714 0.399 79 HG12 VAL 44 2HG1 VAL 44 27.548 21.302 0.788 80 HG13 VAL 44 3HG1 VAL 44 26.569 20.129 -0.093 81 HG21 VAL 44 3HG2 VAL 44 25.426 20.426 3.503 82 HG22 VAL 44 1HG2 VAL 44 25.603 21.498 2.113 83 HG23 VAL 44 2HG2 VAL 44 26.886 21.398 3.319 84 H TYR 45 HN TYR 45 25.624 18.322 -0.814 85 HA TYR 45 HA TYR 45 27.476 15.978 -0.801 86 HD1 TYR 45 HD1 TYR 45 26.698 13.230 -1.173 87 HD2 TYR 45 HD2 TYR 45 25.867 15.738 -4.560 88 HE1 TYR 45 HE1 TYR 45 27.659 11.512 -2.682 89 HE2 TYR 45 HE2 TYR 45 26.828 14.021 -6.068 90 HH TYR 45 HH TYR 45 27.862 10.866 -4.837 91 HB2 TYR 45 2HB TYR 45 25.159 15.155 -1.010 92 HB3 TYR 45 1HB TYR 45 24.903 16.225 -2.390 93 H GLY 46 HN GLY 46 29.018 16.067 -2.401 94 HA2 GLY 46 1HA GLY 46 28.729 17.295 -4.941 95 HA3 GLY 46 2HA GLY 46 29.440 18.487 -3.854 96 H GLU 47 HN GLU 47 31.186 18.038 -5.662 97 HA GLU 47 HA GLU 47 32.933 15.794 -4.728 98 HB2 GLU 47 2HB GLU 47 32.888 17.177 -7.428 99 HB3 GLU 47 1HB GLU 47 33.953 15.849 -6.970 100 HG2 GLU 47 2HG GLU 47 31.955 14.427 -6.552 101 HG3 GLU 47 1HG GLU 47 30.922 15.751 -7.092 102 H ASP 48 HN ASP 48 35.267 16.279 -4.712 103 HA ASP 48 HA ASP 48 36.986 17.642 -3.838 104 HB2 ASP 48 2HB ASP 48 35.902 19.488 -5.988 105 HB3 ASP 48 1HB ASP 48 37.521 19.540 -5.291 106 H MET 49 HN MET 49 34.853 17.822 -2.150 107 HA MET 49 HA MET 49 34.347 20.724 -1.736 108 HB2 MET 49 2HB MET 49 33.093 18.257 -0.506 109 HB3 MET 49 1HB MET 49 32.685 19.907 -0.036 110 HG2 MET 49 2HG MET 49 32.124 20.363 -2.457 111 HG3 MET 49 1HG MET 49 32.330 18.639 -2.767 112 HE1 MET 49 3HE MET 49 30.724 17.656 0.463 113 HE2 MET 49 1HE MET 49 31.665 17.112 -0.933 114 HE3 MET 49 2HE MET 49 29.935 16.790 -0.852 115 H THR 50 HN THR 50 35.243 21.800 -0.007 116 HA THR 50 HA THR 50 36.803 20.151 1.944 117 HB THR 50 HB THR 50 37.995 22.650 1.960 118 HG1 THR 50 1HG THR 50 37.824 23.486 0.053 119 HG21 THR 50 3HG2 THR 50 39.824 21.499 0.718 120 HG22 THR 50 1HG2 THR 50 38.713 20.176 0.365 121 HG23 THR 50 2HG2 THR 50 39.174 20.517 2.032 122 HA PRO 51 HA PRO 51 34.695 22.218 5.241 123 HB2 PRO 51 2HB PRO 51 36.666 22.775 7.003 124 HB3 PRO 51 1HB PRO 51 36.067 21.140 6.720 125 HG2 PRO 51 2HG PRO 51 38.516 22.477 5.639 126 HG3 PRO 51 1HG PRO 51 38.329 20.834 6.259 127 HD2 PRO 51 1HD PRO 51 38.375 21.382 3.607 128 HD3 PRO 51 2HD PRO 51 37.431 20.052 4.279 129 H THR 52 HN THR 52 37.793 23.932 4.644 130 HA THR 52 HA THR 52 37.071 26.452 5.614 131 HB THR 52 HB THR 52 38.688 25.921 3.102 132 HG1 THR 52 1HG THR 52 39.156 24.975 5.394 133 HG21 THR 52 3HG2 THR 52 38.789 28.172 3.046 134 HG22 THR 52 1HG2 THR 52 39.750 28.071 4.521 135 HG23 THR 52 2HG2 THR 52 38.007 28.313 4.620 136 H LEU 53 HN LEU 53 36.542 25.187 2.310 137 HA LEU 53 HA LEU 53 35.207 27.485 1.293 138 HG LEU 53 HG LEU 53 33.112 26.458 -0.240 139 HB2 LEU 53 2HB LEU 53 35.995 25.572 -0.105 140 HB3 LEU 53 1HB LEU 53 34.696 24.584 0.563 141 HD11 LEU 53 1HD1 LEU 53 35.199 27.962 -0.662 142 HD12 LEU 53 2HD1 LEU 53 33.890 27.994 -1.843 143 HD13 LEU 53 3HD1 LEU 53 35.348 27.056 -2.168 144 HD21 LEU 53 3HD2 LEU 53 32.852 24.537 -1.490 145 HD22 LEU 53 1HD2 LEU 53 34.569 24.435 -1.883 146 HD23 LEU 53 2HD2 LEU 53 33.535 25.581 -2.736 147 H LEU 54 HN LEU 54 33.880 24.547 2.838 148 HA LEU 54 HA LEU 54 31.144 25.253 2.701 149 HG LEU 54 HG LEU 54 32.580 23.003 2.345 150 HB2 LEU 54 2HB LEU 54 32.613 23.745 4.888 151 HB3 LEU 54 1HB LEU 54 30.862 23.771 4.679 152 HD11 LEU 54 1HD1 LEU 54 33.279 21.046 3.232 153 HD12 LEU 54 2HD1 LEU 54 31.686 20.712 3.911 154 HD13 LEU 54 3HD1 LEU 54 32.836 21.704 4.807 155 HD21 LEU 54 3HD2 LEU 54 30.470 21.361 2.301 156 HD22 LEU 54 1HD2 LEU 54 30.365 23.013 1.694 157 HD23 LEU 54 2HD2 LEU 54 29.778 22.628 3.312 158 H ARG 55 HN ARG 55 33.563 26.019 5.212 159 HA ARG 55 HA ARG 55 31.912 27.376 7.031 160 HE ARG 55 HE ARG 55 35.456 27.623 10.456 161 HB2 ARG 55 2HB ARG 55 34.760 27.977 6.187 162 HB3 ARG 55 1HB ARG 55 33.968 28.743 7.565 163 HG2 ARG 55 2HG ARG 55 33.591 26.533 8.586 164 HG3 ARG 55 1HG ARG 55 34.358 25.755 7.202 165 HD2 ARG 55 2HD ARG 55 36.042 25.915 8.901 166 HD3 ARG 55 1HD ARG 55 36.420 27.163 7.713 167 HH11 ARG 55 1HH1 ARG 55 37.486 28.910 8.281 168 HH12 ARG 55 2HH1 ARG 55 36.867 30.527 8.313 169 HH21 ARG 55 1HH2 ARG 55 34.005 29.681 10.077 170 HH22 ARG 55 2HH2 ARG 55 34.897 30.965 9.330 171 H GLY 56 HN GLY 56 33.424 28.611 4.054 172 HA2 GLY 56 2HA GLY 56 32.415 31.301 4.389 173 HA3 GLY 56 1HA GLY 56 33.055 30.623 2.891 174 H ALA 57 HN ALA 57 31.140 28.340 3.007 175 HA ALA 57 HA ALA 57 28.924 29.677 1.646 176 HB1 ALA 57 1HB ALA 57 29.231 26.747 2.366 177 HB2 ALA 57 2HB ALA 57 29.868 27.480 0.893 178 HB3 ALA 57 3HB ALA 57 28.127 27.428 1.171 179 H PHE 58 HN PHE 58 29.568 28.452 4.829 180 HA PHE 58 HA PHE 58 26.694 28.902 5.535 181 HD1 PHE 58 HD1 PHE 58 28.984 25.785 4.669 182 HD2 PHE 58 HD2 PHE 58 25.093 26.539 6.321 183 HE1 PHE 58 HE1 PHE 58 28.005 24.109 3.126 184 HE2 PHE 58 HE2 PHE 58 24.113 24.863 4.778 185 HZ PHE 58 HZ PHE 58 25.569 23.648 3.180 186 HB2 PHE 58 2HB PHE 58 28.715 27.008 6.774 187 HB3 PHE 58 1HB PHE 58 27.114 27.327 7.444 188 H SER 59 HN SER 59 29.538 30.415 5.628 189 HA SER 59 HA SER 59 29.791 31.121 8.426 190 HG SER 59 HG SER 59 31.566 33.593 8.035 191 HB2 SER 59 2HB SER 59 31.779 31.593 7.388 192 HB3 SER 59 1HB SER 59 31.004 31.985 5.854 193 HA PRO 60 HA PRO 60 27.557 35.212 7.049 194 HB2 PRO 60 2HB PRO 60 26.385 35.225 4.614 195 HB3 PRO 60 1HB PRO 60 28.054 35.735 4.880 196 HG2 PRO 60 2HG PRO 60 27.006 33.119 3.868 197 HG3 PRO 60 1HG PRO 60 28.377 34.067 3.284 198 HD2 PRO 60 2HD PRO 60 28.697 31.910 4.882 199 HD3 PRO 60 1HD PRO 60 29.785 33.297 4.949 200 H PHE 61 HN PHE 61 26.206 32.137 5.924 201 HA PHE 61 HA PHE 61 23.445 32.850 6.198 202 HD1 PHE 61 HD1 PHE 61 25.943 30.804 4.135 203 HD2 PHE 61 HD2 PHE 61 21.689 30.964 4.697 204 HE1 PHE 61 HE1 PHE 61 25.624 30.943 1.679 205 HE2 PHE 61 HE2 PHE 61 21.368 31.103 2.242 206 HZ PHE 61 HZ PHE 61 23.337 31.092 0.732 207 HB2 PHE 61 2HB PHE 61 24.923 30.217 6.284 208 HB3 PHE 61 1HB PHE 61 23.176 30.303 6.516 209 H GLY 62 HN GLY 62 25.860 31.685 8.496 210 HA2 GLY 62 1HA GLY 62 24.625 32.787 10.773 211 HA3 GLY 62 2HA GLY 62 24.036 31.130 10.647 212 H ASN 63 HN ASN 63 25.339 31.196 12.823 213 HA ASN 63 HA ASN 63 28.252 30.846 12.371 214 HB2 ASN 63 2HB ASN 63 27.328 32.212 14.310 215 HB3 ASN 63 1HB ASN 63 26.756 30.692 14.999 216 HD21 ASN 63 1HD2 ASN 63 28.347 31.182 16.807 217 HD22 ASN 63 2HD2 ASN 63 29.981 30.781 16.581 218 H ILE 64 HN ILE 64 29.261 28.856 12.573 219 HA ILE 64 HA ILE 64 27.445 26.508 12.838 220 HB ILE 64 HB ILE 64 30.289 26.652 11.790 221 HG12 ILE 64 2HG1 ILE 64 27.766 26.248 10.180 222 HG13 ILE 64 1HG1 ILE 64 28.425 27.856 10.477 223 HG21 ILE 64 1HG2 ILE 64 30.185 24.411 12.076 224 HG22 ILE 64 2HG2 ILE 64 28.995 24.407 10.774 225 HG23 ILE 64 3HG2 ILE 64 28.464 24.468 12.455 226 HD11 ILE 64 3HD1 ILE 64 30.673 26.553 9.679 227 HD12 ILE 64 1HD1 ILE 64 29.612 27.424 8.571 228 HD13 ILE 64 2HD1 ILE 64 29.457 25.677 8.750 229 H ILE 65 HN ILE 65 27.680 25.102 14.544 230 HA ILE 65 HA ILE 65 29.716 25.819 16.586 231 HB ILE 65 HB ILE 65 28.361 24.561 18.143 232 HG12 ILE 65 2HG1 ILE 65 26.736 23.707 15.727 233 HG13 ILE 65 1HG1 ILE 65 27.850 22.671 16.619 234 HG21 ILE 65 1HG2 ILE 65 27.540 26.813 17.576 235 HG22 ILE 65 2HG2 ILE 65 26.191 25.728 17.909 236 HG23 ILE 65 3HG2 ILE 65 26.600 26.141 16.244 237 HD11 ILE 65 3HD1 ILE 65 25.644 22.224 17.472 238 HD12 ILE 65 1HD1 ILE 65 25.299 23.945 17.645 239 HD13 ILE 65 2HD1 ILE 65 26.483 23.171 18.698 240 H ASP 66 HN ASP 66 28.918 23.337 14.287 241 HA ASP 66 HA ASP 66 31.397 21.909 15.033 242 HB2 ASP 66 2HB ASP 66 29.474 20.860 16.312 243 HB3 ASP 66 1HB ASP 66 28.779 20.413 14.753 244 H LEU 67 HN LEU 67 32.468 21.424 13.181 245 HA LEU 67 HA LEU 67 30.879 21.327 10.648 246 HG LEU 67 HG LEU 67 33.051 20.855 8.883 247 HB2 LEU 67 2HB LEU 67 32.511 23.173 10.738 248 HB3 LEU 67 1HB LEU 67 33.803 22.020 11.072 249 HD11 LEU 67 1HD1 LEU 67 31.696 23.553 8.665 250 HD12 LEU 67 2HD1 LEU 67 30.959 21.961 8.495 251 HD13 LEU 67 3HD1 LEU 67 32.069 22.554 7.260 252 HD21 LEU 67 3HD2 LEU 67 34.556 22.214 7.598 253 HD22 LEU 67 1HD2 LEU 67 35.136 22.265 9.262 254 HD23 LEU 67 2HD2 LEU 67 34.234 23.628 8.601 255 H SER 68 HN SER 68 30.659 19.274 9.902 256 HA SER 68 HA SER 68 32.938 17.384 10.339 257 HG SER 68 HG SER 68 31.131 15.915 12.474 258 HB2 SER 68 2HB SER 68 29.964 16.780 10.315 259 HB3 SER 68 1HB SER 68 31.239 15.566 10.417 260 H MET 69 HN MET 69 33.479 16.058 8.564 261 HA MET 69 HA MET 69 31.952 16.557 6.045 262 HB2 MET 69 2HB MET 69 34.967 16.540 6.382 263 HB3 MET 69 1HB MET 69 34.129 16.602 4.831 264 HG2 MET 69 2HG MET 69 32.938 18.682 5.708 265 HG3 MET 69 1HG MET 69 34.091 18.669 7.042 266 HE1 MET 69 3HE MET 69 34.960 19.252 2.573 267 HE2 MET 69 1HE MET 69 33.380 19.097 3.355 268 HE3 MET 69 2HE MET 69 34.446 17.700 3.230 269 H ASP 70 HN ASP 70 31.954 14.779 4.573 270 HA ASP 70 HA ASP 70 33.045 12.235 5.710 271 HB2 ASP 70 2HB ASP 70 30.388 12.802 5.478 272 HB3 ASP 70 1HB ASP 70 30.700 12.051 3.913 273 HA PRO 71 HA PRO 71 35.062 12.580 1.659 274 HB2 PRO 71 2HB PRO 71 37.095 10.903 2.241 275 HB3 PRO 71 1HB PRO 71 37.072 12.604 2.706 276 HG2 PRO 71 2HG PRO 71 36.558 10.181 4.349 277 HG3 PRO 71 1HG PRO 71 37.321 11.702 4.806 278 HD2 PRO 71 2HD PRO 71 34.714 11.017 5.418 279 HD3 PRO 71 1HD PRO 71 35.334 12.666 5.372 280 HA PRO 72 HA PRO 72 34.507 7.791 1.081 281 HB2 PRO 72 2HB PRO 72 32.751 6.564 2.715 282 HB3 PRO 72 1HB PRO 72 34.476 6.669 3.069 283 HG2 PRO 72 2HG PRO 72 32.210 8.254 4.177 284 HG3 PRO 72 1HG PRO 72 33.661 7.661 4.988 285 HD2 PRO 72 1HD PRO 72 33.320 10.244 4.146 286 HD3 PRO 72 2HD PRO 72 34.890 9.483 4.372 287 H ARG 73 HN ARG 73 31.757 9.687 2.290 288 HA ARG 73 HA ARG 73 30.084 8.565 0.092 289 HE ARG 73 HE ARG 73 25.289 8.942 0.535 290 HB2 ARG 73 2HB ARG 73 29.203 8.546 2.458 291 HB3 ARG 73 1HB ARG 73 29.204 10.309 2.408 292 HG2 ARG 73 2HG ARG 73 27.702 10.245 0.440 293 HG3 ARG 73 1HG ARG 73 27.686 8.483 0.519 294 HD2 ARG 73 2HD ARG 73 26.760 8.636 2.834 295 HD3 ARG 73 1HD ARG 73 26.686 10.390 2.657 296 HH11 ARG 73 1HH1 ARG 73 24.995 9.540 3.876 297 HH12 ARG 73 2HH1 ARG 73 23.357 10.095 3.788 298 HH21 ARG 73 1HH2 ARG 73 23.232 9.995 0.324 299 HH22 ARG 73 2HH2 ARG 73 22.358 10.354 1.776 300 H ASN 74 HN ASN 74 32.095 11.147 0.647 301 HA ASN 74 HA ASN 74 32.376 13.194 -0.465 302 HB2 ASN 74 2HB ASN 74 30.242 12.052 -2.296 303 HB3 ASN 74 1HB ASN 74 31.281 13.430 -2.660 304 HD21 ASN 74 1HD2 ASN 74 31.072 10.558 -3.848 305 HD22 ASN 74 2HD2 ASN 74 32.679 10.014 -3.847 306 H CYS 75 HN CYS 75 30.604 13.112 1.762 307 HA CYS 75 HA CYS 75 28.756 15.322 0.991 308 HG CYS 75 HG CYS 75 27.673 11.832 3.347 309 HB2 CYS 75 2HB CYS 75 26.980 14.396 2.358 310 HB3 CYS 75 1HB CYS 75 27.497 13.153 1.219 311 H ALA 76 HN ALA 76 28.760 17.006 2.457 312 HA ALA 76 HA ALA 76 30.495 16.647 4.862 313 HB1 ALA 76 1HB ALA 76 31.385 18.669 4.391 314 HB2 ALA 76 2HB ALA 76 29.789 19.400 4.221 315 HB3 ALA 76 3HB ALA 76 30.538 18.588 2.847 316 H PHE 77 HN PHE 77 29.778 17.711 6.856 317 HA PHE 77 HA PHE 77 26.811 18.091 6.951 318 HD1 PHE 77 HD1 PHE 77 25.168 15.946 8.033 319 HD2 PHE 77 HD2 PHE 77 29.328 15.019 7.499 320 HE1 PHE 77 HE1 PHE 77 24.550 13.827 6.902 321 HE2 PHE 77 HE2 PHE 77 28.710 12.900 6.368 322 HZ PHE 77 HZ PHE 77 26.321 12.304 6.070 323 HB2 PHE 77 2HB PHE 77 28.622 16.794 9.009 324 HB3 PHE 77 1HB PHE 77 26.915 17.154 9.266 325 H VAL 78 HN VAL 78 26.164 20.011 7.832 326 HA VAL 78 HA VAL 78 28.234 21.593 9.312 327 HB VAL 78 HB VAL 78 26.001 22.655 7.561 328 HG11 VAL 78 1HG1 VAL 78 28.295 23.984 9.031 329 HG12 VAL 78 2HG1 VAL 78 26.573 24.209 9.335 330 HG13 VAL 78 3HG1 VAL 78 27.288 24.798 7.833 331 HG21 VAL 78 3HG2 VAL 78 27.484 21.858 5.974 332 HG22 VAL 78 1HG2 VAL 78 28.871 21.985 7.057 333 HG23 VAL 78 2HG2 VAL 78 28.213 23.432 6.292 334 H THR 79 HN THR 79 27.626 22.350 11.309 335 HA THR 79 HA THR 79 24.837 21.749 12.173 336 HB THR 79 HB THR 79 27.174 22.450 13.961 337 HG1 THR 79 1HG THR 79 27.887 20.642 13.047 338 HG21 THR 79 3HG2 THR 79 25.171 22.583 15.184 339 HG22 THR 79 1HG2 THR 79 25.720 20.935 15.494 340 HG23 THR 79 2HG2 THR 79 24.443 21.233 14.315 341 H TYR 80 HN TYR 80 23.467 23.428 12.585 342 HA TYR 80 HA TYR 80 24.662 26.168 12.700 343 HD1 TYR 80 HD1 TYR 80 24.724 27.812 11.832 344 HD2 TYR 80 HD2 TYR 80 22.304 25.550 9.097 345 HE1 TYR 80 HE1 TYR 80 25.855 28.912 9.919 346 HE2 TYR 80 HE2 TYR 80 23.435 26.651 7.185 347 HH TYR 80 HH TYR 80 26.065 28.999 7.712 348 HB2 TYR 80 2HB TYR 80 22.240 25.051 11.404 349 HB3 TYR 80 1HB TYR 80 22.032 26.619 12.185 350 H GLU 81 HN GLU 81 24.198 27.441 14.472 351 HA GLU 81 HA GLU 81 23.305 26.268 16.893 352 HB2 GLU 81 2HB GLU 81 24.636 28.398 16.678 353 HB3 GLU 81 1HB GLU 81 23.152 29.210 16.179 354 HG2 GLU 81 2HG GLU 81 22.085 28.499 18.317 355 HG3 GLU 81 1HG GLU 81 23.617 27.784 18.817 356 H LYS 82 HN LYS 82 21.519 27.756 14.275 357 HA LYS 82 HA LYS 82 19.002 27.120 15.753 358 HB2 LYS 82 2HB LYS 82 19.583 29.601 14.107 359 HB3 LYS 82 1HB LYS 82 17.982 29.150 14.693 360 HG2 LYS 82 2HG LYS 82 18.862 29.176 17.024 361 HG3 LYS 82 1HG LYS 82 20.422 29.717 16.404 362 HD2 LYS 82 2HD LYS 82 19.316 31.717 15.428 363 HD3 LYS 82 1HD LYS 82 17.782 31.185 16.118 364 HE2 LYS 82 2HE LYS 82 18.371 32.385 17.946 365 HE3 LYS 82 1HE LYS 82 19.511 31.082 18.282 366 HZ1 LYS 82 3HZ LYS 82 21.204 32.420 17.846 367 HZ2 LYS 82 1HZ LYS 82 20.113 33.715 17.739 368 HZ3 LYS 82 2HZ LYS 82 20.557 32.862 16.338 369 H MET 83 HN MET 83 17.320 26.317 14.431 370 HA MET 83 HA MET 83 18.120 24.935 12.050 371 HB2 MET 83 2HB MET 83 15.348 25.622 13.076 372 HB3 MET 83 1HB MET 83 15.686 24.476 11.778 373 HG2 MET 83 2HG MET 83 17.179 23.235 13.421 374 HG3 MET 83 1HG MET 83 16.515 24.272 14.684 375 HE1 MET 83 3HE MET 83 15.556 21.171 15.500 376 HE2 MET 83 1HE MET 83 14.207 22.166 16.064 377 HE3 MET 83 2HE MET 83 15.839 22.828 16.026 378 H GLU 84 HN GLU 84 17.027 28.164 12.615 379 HA GLU 84 HA GLU 84 15.944 28.704 10.000 380 HB2 GLU 84 2HB GLU 84 17.165 30.533 12.088 381 HB3 GLU 84 1HB GLU 84 16.366 31.105 10.623 382 HG2 GLU 84 2HG GLU 84 14.299 29.918 11.305 383 HG3 GLU 84 1HG GLU 84 15.102 29.392 12.784 384 H SER 85 HN SER 85 19.199 28.895 11.387 385 HA SER 85 HA SER 85 20.458 30.237 9.208 386 HG SER 85 HG SER 85 22.084 29.772 12.402 387 HB2 SER 85 2HB SER 85 21.688 28.116 10.992 388 HB3 SER 85 1HB SER 85 22.544 29.372 10.100 389 H ALA 86 HN ALA 86 19.626 26.843 9.723 390 HA ALA 86 HA ALA 86 21.090 25.911 7.384 391 HB1 ALA 86 1HB ALA 86 19.566 23.847 7.765 392 HB2 ALA 86 2HB ALA 86 19.040 24.684 9.225 393 HB3 ALA 86 3HB ALA 86 20.737 24.246 9.021 394 H ASP 87 HN ASP 87 17.837 27.064 8.045 395 HA ASP 87 HA ASP 87 16.591 26.126 5.646 396 HB2 ASP 87 2HB ASP 87 15.413 27.102 7.661 397 HB3 ASP 87 1HB ASP 87 15.949 28.692 7.118 398 H GLN 88 HN GLN 88 18.126 29.267 6.404 399 HA GLN 88 HA GLN 88 17.803 30.329 3.752 400 HB2 GLN 88 2HB GLN 88 18.307 31.674 5.834 401 HB3 GLN 88 1HB GLN 88 19.958 31.059 5.755 402 HG2 GLN 88 2HG GLN 88 20.167 31.997 3.460 403 HG3 GLN 88 1HG GLN 88 18.542 32.666 3.604 404 HE21 GLN 88 1HE2 GLN 88 20.518 34.530 3.187 405 HE22 GLN 88 2HE2 GLN 88 20.873 35.374 4.617 406 H ALA 89 HN ALA 89 20.407 28.505 5.332 407 HA ALA 89 HA ALA 89 22.205 28.703 3.060 408 HB1 ALA 89 1HB ALA 89 22.514 27.964 5.677 409 HB2 ALA 89 2HB ALA 89 23.693 27.628 4.409 410 HB3 ALA 89 3HB ALA 89 22.522 26.394 4.874 411 H VAL 90 HN VAL 90 20.126 26.086 4.337 412 HA VAL 90 HA VAL 90 20.681 24.238 2.228 413 HB VAL 90 HB VAL 90 18.247 24.534 4.011 414 HG11 VAL 90 1HG1 VAL 90 18.418 21.890 3.215 415 HG12 VAL 90 2HG1 VAL 90 18.818 22.766 1.737 416 HG13 VAL 90 3HG1 VAL 90 17.289 23.077 2.561 417 HG21 VAL 90 3HG2 VAL 90 20.890 23.703 4.531 418 HG22 VAL 90 1HG2 VAL 90 19.938 22.223 4.435 419 HG23 VAL 90 2HG2 VAL 90 19.485 23.489 5.576 420 H ALA 91 HN ALA 91 18.267 26.814 2.553 421 HA ALA 91 HA ALA 91 16.954 26.104 0.038 422 HB1 ALA 91 1HB ALA 91 15.917 27.321 2.084 423 HB2 ALA 91 2HB ALA 91 15.494 27.904 0.474 424 HB3 ALA 91 3HB ALA 91 16.698 28.763 1.435 425 H GLU 92 HN GLU 92 19.333 28.504 1.117 426 HA GLU 92 HA GLU 92 19.439 29.752 -1.539 427 HB2 GLU 92 2HB GLU 92 19.894 30.841 0.808 428 HB3 GLU 92 1HB GLU 92 21.513 30.179 0.592 429 HG2 GLU 92 2HG GLU 92 21.609 31.311 -1.643 430 HG3 GLU 92 1HG GLU 92 20.066 32.077 -1.271 431 H LEU 93 HN LEU 93 21.652 27.777 0.465 432 HA LEU 93 HA LEU 93 23.701 27.580 -1.527 433 HG LEU 93 HG LEU 93 23.341 27.789 1.651 434 HB2 LEU 93 2HB LEU 93 23.022 25.606 0.674 435 HB3 LEU 93 1HB LEU 93 24.555 25.711 -0.190 436 HD11 LEU 93 1HD1 LEU 93 26.047 26.437 1.755 437 HD12 LEU 93 2HD1 LEU 93 24.630 25.795 2.587 438 HD13 LEU 93 3HD1 LEU 93 25.263 27.383 3.020 439 HD21 LEU 93 3HD2 LEU 93 25.389 27.993 -0.497 440 HD22 LEU 93 1HD2 LEU 93 25.772 28.787 1.030 441 HD23 LEU 93 2HD2 LEU 93 24.310 29.229 0.148 442 H ASN 94 HN ASN 94 20.880 25.536 -0.802 443 HA ASN 94 HA ASN 94 21.500 23.462 -2.673 444 HB2 ASN 94 2HB ASN 94 19.769 23.246 -0.907 445 HB3 ASN 94 1HB ASN 94 18.773 24.421 -1.764 446 HD21 ASN 94 1HD2 ASN 94 17.399 22.185 -1.600 447 HD22 ASN 94 2HD2 ASN 94 17.503 21.210 -2.986 448 H GLY 95 HN GLY 95 21.523 23.560 -4.863 449 HA2 GLY 95 2HA GLY 95 20.605 24.094 -7.017 450 HA3 GLY 95 1HA GLY 95 19.624 25.348 -6.260 451 H THR 96 HN THR 96 23.061 25.020 -5.616 452 HA THR 96 HA THR 96 23.513 27.526 -7.190 453 HB THR 96 HB THR 96 25.032 28.291 -5.495 454 HG1 THR 96 1HG THR 96 26.091 26.826 -4.462 455 HG21 THR 96 3HG2 THR 96 22.501 27.109 -4.340 456 HG22 THR 96 1HG2 THR 96 22.771 28.766 -4.880 457 HG23 THR 96 2HG2 THR 96 23.562 28.174 -3.419 458 H GLN 97 HN GLN 97 25.722 27.743 -8.052 459 HA GLN 97 HA GLN 97 27.067 25.092 -8.400 460 HB2 GLN 97 2HB GLN 97 25.895 25.878 -10.463 461 HB3 GLN 97 1HB GLN 97 26.891 27.334 -10.437 462 HG2 GLN 97 2HG GLN 97 28.928 25.943 -10.594 463 HG3 GLN 97 1HG GLN 97 27.929 24.489 -10.627 464 HE21 GLN 97 1HE2 GLN 97 29.537 24.829 -12.831 465 HE22 GLN 97 2HE2 GLN 97 28.633 25.344 -14.172 466 H VAL 98 HN VAL 98 29.367 25.142 -8.451 467 HA VAL 98 HA VAL 98 30.523 27.601 -7.236 468 HB VAL 98 HB VAL 98 32.098 25.075 -7.531 469 HG11 VAL 98 1HG1 VAL 98 31.867 26.561 -4.978 470 HG12 VAL 98 2HG1 VAL 98 32.554 27.471 -6.322 471 HG13 VAL 98 3HG1 VAL 98 33.305 25.962 -5.805 472 HG21 VAL 98 3HG2 VAL 98 31.039 24.084 -5.572 473 HG22 VAL 98 1HG2 VAL 98 29.809 24.362 -6.805 474 HG23 VAL 98 2HG2 VAL 98 29.942 25.459 -5.431 475 H GLU 99 HN GLU 99 33.248 26.699 -8.086 476 HA GLU 99 HA GLU 99 33.487 28.260 -10.459 477 HB2 GLU 99 2HB GLU 99 35.344 26.158 -9.305 478 HB3 GLU 99 1HB GLU 99 35.779 27.268 -10.604 479 HG2 GLU 99 2HG GLU 99 35.258 29.184 -9.093 480 HG3 GLU 99 1HG GLU 99 34.936 28.036 -7.792 481 H SER 100 HN SER 100 33.243 24.745 -9.972 482 HA SER 100 HA SER 100 32.211 24.438 -12.694 483 HG SER 100 HG SER 100 34.668 22.575 -14.242 484 HB2 SER 100 2HB SER 100 34.686 24.441 -13.034 485 HB3 SER 100 1HB SER 100 34.810 23.071 -11.932 486 H VAL 101 HN VAL 101 31.352 23.904 -9.918 487 HA VAL 101 HA VAL 101 30.585 21.076 -10.322 488 HB VAL 101 HB VAL 101 31.853 22.054 -7.744 489 HG11 VAL 101 1HG1 VAL 101 30.970 19.274 -8.572 490 HG12 VAL 101 2HG1 VAL 101 30.024 20.342 -7.533 491 HG13 VAL 101 3HG1 VAL 101 31.601 19.758 -6.998 492 HG21 VAL 101 3HG2 VAL 101 33.695 21.733 -9.129 493 HG22 VAL 101 1HG2 VAL 101 32.880 20.507 -10.100 494 HG23 VAL 101 2HG2 VAL 101 33.477 20.103 -8.491 495 H GLN 102 HN GLN 102 28.680 20.509 -9.071 496 HA GLN 102 HA GLN 102 27.106 22.915 -8.294 497 HB2 GLN 102 2HB GLN 102 26.197 20.075 -8.863 498 HB3 GLN 102 1HB GLN 102 25.139 21.448 -8.535 499 HG2 GLN 102 2HG GLN 102 25.935 22.591 -10.538 500 HG3 GLN 102 1HG GLN 102 27.107 21.308 -10.839 501 HE21 GLN 102 1HE2 GLN 102 25.142 21.921 -12.802 502 HE22 GLN 102 2HE2 GLN 102 24.043 20.631 -12.901 503 H LEU 103 HN LEU 103 26.328 23.146 -6.205 504 HA LEU 103 HA LEU 103 27.251 21.091 -4.244 505 HG LEU 103 HG LEU 103 28.668 23.567 -5.024 506 HB2 LEU 103 2HB LEU 103 26.503 24.003 -3.835 507 HB3 LEU 103 1HB LEU 103 27.028 22.903 -2.561 508 HD11 LEU 103 1HD1 LEU 103 30.072 24.852 -3.364 509 HD12 LEU 103 2HD1 LEU 103 28.770 24.643 -2.191 510 HD13 LEU 103 3HD1 LEU 103 28.486 25.563 -3.669 511 HD21 LEU 103 3HD2 LEU 103 30.489 22.562 -3.563 512 HD22 LEU 103 1HD2 LEU 103 29.276 21.417 -4.136 513 HD23 LEU 103 2HD2 LEU 103 29.210 22.016 -2.478 514 H LYS 104 HN LYS 104 25.753 20.058 -2.959 515 HA LYS 104 HA LYS 104 22.899 20.902 -3.292 516 HB2 LYS 104 2HB LYS 104 24.027 18.113 -2.888 517 HB3 LYS 104 1HB LYS 104 22.311 18.511 -2.959 518 HG2 LYS 104 2HG LYS 104 22.665 19.455 -5.244 519 HG3 LYS 104 1HG LYS 104 24.347 18.929 -5.169 520 HD2 LYS 104 2HD LYS 104 23.558 16.586 -4.819 521 HD3 LYS 104 1HD LYS 104 21.897 17.146 -5.014 522 HE2 LYS 104 2HE LYS 104 22.235 16.672 -7.216 523 HE3 LYS 104 1HE LYS 104 23.085 18.217 -7.236 524 HZ1 LYS 104 3HZ LYS 104 24.375 15.610 -6.642 525 HZ2 LYS 104 1HZ LYS 104 25.149 17.106 -6.850 526 HZ3 LYS 104 2HZ LYS 104 24.386 16.355 -8.170 527 H VAL 105 HN VAL 105 21.633 20.954 -1.401 528 HA VAL 105 HA VAL 105 23.079 20.364 1.148 529 HB VAL 105 HB VAL 105 21.203 22.704 0.722 530 HG11 VAL 105 1HG1 VAL 105 21.273 22.140 3.024 531 HG12 VAL 105 2HG1 VAL 105 22.463 23.431 2.857 532 HG13 VAL 105 3HG1 VAL 105 22.992 21.752 2.961 533 HG21 VAL 105 3HG2 VAL 105 23.606 23.862 1.088 534 HG22 VAL 105 1HG2 VAL 105 22.982 23.473 -0.516 535 HG23 VAL 105 2HG2 VAL 105 24.132 22.390 0.269 536 H ASN 106 HN ASN 106 21.727 19.653 2.875 537 HA ASN 106 HA ASN 106 18.841 19.359 2.432 538 HB2 ASN 106 2HB ASN 106 20.737 17.004 2.396 539 HB3 ASN 106 1HB ASN 106 19.041 16.824 2.843 540 HD21 ASN 106 1HD2 ASN 106 20.595 15.911 0.347 541 HD22 ASN 106 2HD2 ASN 106 19.684 16.515 -0.951 542 H ILE 107 HN ILE 107 18.283 17.501 4.408 543 HA ILE 107 HA ILE 107 19.476 18.814 6.817 544 HB ILE 107 HB ILE 107 16.796 17.419 6.548 545 HG12 ILE 107 1HG1 ILE 107 17.434 20.373 6.757 546 HG13 ILE 107 2HG1 ILE 107 16.968 19.556 5.266 547 HG21 ILE 107 1HG2 ILE 107 17.903 17.415 8.821 548 HG22 ILE 107 2HG2 ILE 107 16.357 18.264 8.768 549 HG23 ILE 107 3HG2 ILE 107 17.866 19.178 8.771 550 HD11 ILE 107 3HD1 ILE 107 15.264 19.436 7.760 551 HD12 ILE 107 1HD1 ILE 107 14.798 19.048 6.103 552 HD13 ILE 107 2HD1 ILE 107 15.086 20.724 6.569 553 H ALA 108 HN ALA 108 20.416 17.510 8.367 554 HA ALA 108 HA ALA 108 20.142 14.556 8.028 555 HB1 ALA 108 1HB ALA 108 22.782 15.336 8.972 556 HB2 ALA 108 2HB ALA 108 22.439 16.025 7.385 557 HB3 ALA 108 3HB ALA 108 22.345 14.281 7.628 558 H ARG 109 HN ARG 109 20.468 13.360 10.007 559 HA ARG 109 HA ARG 109 19.960 15.019 12.424 560 HE ARG 109 HE ARG 109 17.327 12.325 14.087 561 HB2 ARG 109 2HB ARG 109 19.682 12.022 12.039 562 HB3 ARG 109 1HB ARG 109 19.153 12.946 13.445 563 HG2 ARG 109 2HG ARG 109 17.568 14.199 12.055 564 HG3 ARG 109 1HG ARG 109 18.130 13.347 10.616 565 HD2 ARG 109 2HD ARG 109 16.089 12.279 11.384 566 HD3 ARG 109 1HD ARG 109 17.439 11.190 11.706 567 HH11 ARG 109 1HH1 ARG 109 15.657 9.888 13.742 568 HH12 ARG 109 2HH1 ARG 109 14.085 10.440 14.217 569 HH21 ARG 109 1HH2 ARG 109 14.891 13.802 13.936 570 HH22 ARG 109 2HH2 ARG 109 13.652 12.655 14.327 571 H LYS 110 HN LYS 110 22.645 14.762 11.264 572 HA LYS 110 HA LYS 110 24.181 12.852 12.786 573 HB2 LYS 110 2HB LYS 110 24.964 13.955 10.671 574 HB3 LYS 110 1HB LYS 110 25.123 15.464 11.567 575 HG2 LYS 110 2HG LYS 110 26.660 14.253 13.165 576 HG3 LYS 110 1HG LYS 110 26.615 12.874 12.066 577 HD2 LYS 110 2HD LYS 110 27.435 14.366 10.234 578 HD3 LYS 110 1HD LYS 110 27.586 15.672 11.409 579 HE2 LYS 110 2HE LYS 110 29.670 14.149 10.853 580 HE3 LYS 110 1HE LYS 110 29.363 14.651 12.515 581 HZ1 LYS 110 3HZ LYS 110 28.344 12.117 11.366 582 HZ2 LYS 110 1HZ LYS 110 28.353 12.582 12.997 583 HZ3 LYS 110 2HZ LYS 110 29.816 12.233 12.206 584 H GLN 111 HN GLN 111 22.583 15.686 13.698 585 HA GLN 111 HA GLN 111 24.321 15.914 16.123 586 HB2 GLN 111 2HB GLN 111 24.492 17.914 14.668 587 HB3 GLN 111 1HB GLN 111 22.744 18.122 14.766 588 HG2 GLN 111 2HG GLN 111 23.682 19.582 16.416 589 HG3 GLN 111 1HG GLN 111 23.028 18.203 17.299 590 HE21 GLN 111 1HE2 GLN 111 25.672 20.156 17.300 591 HE22 GLN 111 2HE2 GLN 111 26.856 19.062 17.832 592 HA PRO 112 HA PRO 112 19.971 14.839 17.389 593 HB2 PRO 112 2HB PRO 112 20.547 12.555 18.691 594 HB3 PRO 112 1HB PRO 112 20.233 12.612 16.958 595 HG2 PRO 112 2HG PRO 112 22.793 12.286 18.407 596 HG3 PRO 112 1HG PRO 112 22.325 11.693 16.814 597 HD2 PRO 112 1HD PRO 112 23.933 13.935 17.347 598 HD3 PRO 112 2HD PRO 112 23.216 13.510 15.795 599 H MET 113 HN MET 113 23.020 15.168 19.038 600 HA MET 113 HA MET 113 22.445 14.850 21.719 601 HB2 MET 113 2HB MET 113 23.836 17.080 21.984 602 HB3 MET 113 1HB MET 113 24.605 15.628 21.344 603 HG2 MET 113 2HG MET 113 24.899 16.563 19.305 604 HG3 MET 113 1HG MET 113 23.256 17.202 19.274 605 HE1 MET 113 3HE MET 113 23.248 20.541 19.789 606 HE2 MET 113 1HE MET 113 22.800 19.053 18.943 607 HE3 MET 113 2HE MET 113 24.117 20.053 18.336 608 H LEU 114 HN LEU 114 21.171 17.324 19.578 609 HA LEU 114 HA LEU 114 19.246 18.064 21.690 610 HG LEU 114 HG LEU 114 20.001 21.366 22.512 611 HB2 LEU 114 2HB LEU 114 21.295 19.622 21.774 612 HB3 LEU 114 1HB LEU 114 20.769 20.220 20.206 613 HD11 LEU 114 1HD1 LEU 114 19.214 21.434 19.813 614 HD12 LEU 114 2HD1 LEU 114 18.893 22.654 21.045 615 HD13 LEU 114 3HD1 LEU 114 17.715 21.377 20.740 616 HD21 LEU 114 3HD2 LEU 114 17.776 20.656 23.176 617 HD22 LEU 114 1HD2 LEU 114 18.869 19.276 23.298 618 HD23 LEU 114 2HD2 LEU 114 17.764 19.406 21.930 619 H ASP 115 HN ASP 115 19.360 16.740 18.962 620 HA ASP 115 HA ASP 115 18.201 16.826 16.905 621 HB2 ASP 115 2HB ASP 115 16.160 18.023 18.804 622 HB3 ASP 115 1HB ASP 115 15.798 17.360 17.211 623 H ALA 116 HN ALA 116 19.917 19.104 17.334 624 HA ALA 116 HA ALA 116 20.313 21.105 16.137 625 HB1 ALA 116 1HB ALA 116 18.413 19.962 14.608 626 HB2 ALA 116 2HB ALA 116 18.985 21.608 14.332 627 HB3 ALA 116 3HB ALA 116 17.491 21.334 15.226 628 H ALA 117 HN ALA 117 16.848 21.384 16.955 629 HA ALA 117 HA ALA 117 17.341 22.983 19.302 630 HB1 ALA 117 1HB ALA 117 16.015 24.772 17.436 631 HB2 ALA 117 2HB ALA 117 17.635 24.348 16.878 632 HB3 ALA 117 3HB ALA 117 17.413 25.078 18.469 633 H THR 118 HN THR 118 15.736 21.052 19.564 634 HA THR 118 HA THR 118 12.985 22.104 19.055 635 HB THR 118 HB THR 118 13.824 19.190 19.132 636 HG1 THR 118 1HG THR 118 12.964 20.736 16.925 637 HG21 THR 118 3HG2 THR 118 11.201 20.578 18.527 638 HG22 THR 118 1HG2 THR 118 11.537 19.487 19.870 639 HG23 THR 118 2HG2 THR 118 11.506 18.868 18.219 640 H GLY 119 HN GLY 119 11.651 22.163 20.843 641 HA2 GLY 119 1HA GLY 119 12.872 21.598 23.448 642 HA3 GLY 119 2HA GLY 119 11.282 22.317 23.182 643 H LYS 120 HN LYS 120 11.151 20.522 25.083 644 HA LYS 120 HA LYS 120 11.014 17.770 24.439 645 HB2 LYS 120 2HB LYS 120 10.858 18.717 26.751 646 HB3 LYS 120 1HB LYS 120 9.223 19.264 26.379 647 HG2 LYS 120 2HG LYS 120 8.577 16.914 25.883 648 HG3 LYS 120 1HG LYS 120 10.201 16.391 26.334 649 HD2 LYS 120 2HD LYS 120 9.841 17.416 28.594 650 HD3 LYS 120 1HD LYS 120 8.177 17.765 28.128 651 HE2 LYS 120 2HE LYS 120 8.246 15.156 27.486 652 HE3 LYS 120 1HE LYS 120 9.463 15.152 28.763 653 HZ1 LYS 120 3HZ LYS 120 7.702 16.522 30.033 654 HZ2 LYS 120 1HZ LYS 120 7.523 14.839 29.930 655 HZ3 LYS 120 2HZ LYS 120 6.609 15.853 28.918 656 H SER 121 HN SER 121 8.630 20.352 24.000 657 HA SER 121 HA SER 121 7.255 18.762 21.973 658 HG SER 121 HG SER 121 6.115 17.291 22.517 659 HB2 SER 121 2HB SER 121 6.358 18.566 24.659 660 HB3 SER 121 1HB SER 121 5.191 19.577 23.806 Start of MODEL 13 1 H ALA 35 HN ALA 35 20.741 18.800 27.439 2 HA ALA 35 HA ALA 35 20.905 19.542 24.545 3 HB1 ALA 35 1HB ALA 35 18.564 18.939 25.653 4 HB2 ALA 35 2HB ALA 35 18.708 20.284 24.523 5 HB3 ALA 35 3HB ALA 35 18.684 20.591 26.260 6 HA PRO 36 HA PRO 36 22.666 22.751 27.643 7 HB2 PRO 36 2HB PRO 36 25.285 22.447 27.048 8 HB3 PRO 36 1HB PRO 36 24.480 21.540 28.330 9 HG2 PRO 36 2HG PRO 36 25.140 20.694 25.534 10 HG3 PRO 36 1HG PRO 36 25.315 19.786 27.040 11 HD2 PRO 36 1HD PRO 36 23.240 19.384 25.354 12 HD3 PRO 36 2HD PRO 36 23.078 19.207 27.101 13 H ARG 37 HN ARG 37 23.168 21.899 24.282 14 HA ARG 37 HA ARG 37 23.121 24.764 23.577 15 HE ARG 37 HE ARG 37 26.994 20.872 21.152 16 HB2 ARG 37 2HB ARG 37 25.154 24.682 22.254 17 HB3 ARG 37 1HB ARG 37 25.543 24.171 23.897 18 HG2 ARG 37 2HG ARG 37 25.162 21.773 23.087 19 HG3 ARG 37 1HG ARG 37 25.163 22.431 21.451 20 HD2 ARG 37 2HD ARG 37 27.408 23.445 21.922 21 HD3 ARG 37 1HD ARG 37 27.408 22.620 23.481 22 HH11 ARG 37 1HH1 ARG 37 29.334 22.566 23.004 23 HH12 ARG 37 2HH1 ARG 37 30.495 21.281 22.973 24 HH21 ARG 37 1HH2 ARG 37 28.416 19.086 21.276 25 HH22 ARG 37 2HH2 ARG 37 29.975 19.311 21.995 26 H LYS 38 HN LYS 38 22.740 25.053 21.230 27 HA LYS 38 HA LYS 38 21.146 22.802 20.159 28 HB2 LYS 38 2HB LYS 38 21.498 25.666 19.221 29 HB3 LYS 38 1HB LYS 38 20.443 24.486 18.444 30 HG2 LYS 38 2HG LYS 38 19.146 24.241 20.503 31 HG3 LYS 38 1HG LYS 38 20.237 25.339 21.348 32 HD2 LYS 38 2HD LYS 38 19.633 27.060 19.532 33 HD3 LYS 38 1HD LYS 38 18.307 25.975 19.110 34 HE2 LYS 38 2HE LYS 38 18.565 26.529 21.998 35 HE3 LYS 38 1HE LYS 38 18.145 27.934 21.018 36 HZ1 LYS 38 3HZ LYS 38 16.402 26.475 19.977 37 HZ2 LYS 38 1HZ LYS 38 16.127 26.908 21.593 38 HZ3 LYS 38 2HZ LYS 38 16.705 25.354 21.217 39 H GLY 39 HN GLY 39 21.412 23.269 17.412 40 HA2 GLY 39 1HA GLY 39 23.657 23.601 16.030 41 HA3 GLY 39 2HA GLY 39 24.140 22.189 16.968 42 H ASN 40 HN ASN 40 22.170 23.325 14.327 43 HA ASN 40 HA ASN 40 20.933 20.662 13.950 44 HB2 ASN 40 2HB ASN 40 19.598 22.728 13.561 45 HB3 ASN 40 1HB ASN 40 20.706 23.175 12.264 46 HD21 ASN 40 1HD2 ASN 40 18.687 23.007 10.853 47 HD22 ASN 40 2HD2 ASN 40 18.230 21.474 10.285 48 H THR 41 HN THR 41 22.004 19.137 12.798 49 HA THR 41 HA THR 41 24.367 19.816 11.224 50 HB THR 41 HB THR 41 22.911 17.161 11.356 51 HG1 THR 41 1HG THR 41 23.403 17.563 13.418 52 HG21 THR 41 3HG2 THR 41 25.839 17.775 10.893 53 HG22 THR 41 1HG2 THR 41 24.680 17.540 9.584 54 HG23 THR 41 2HG2 THR 41 25.027 16.221 10.701 55 H LEU 42 HN LEU 42 24.472 20.048 9.007 56 HA LEU 42 HA LEU 42 21.908 19.681 7.510 57 HG LEU 42 HG LEU 42 23.552 22.314 8.783 58 HB2 LEU 42 2HB LEU 42 24.229 21.423 6.660 59 HB3 LEU 42 1HB LEU 42 22.574 21.450 6.057 60 HD11 LEU 42 1HD1 LEU 42 22.866 23.630 6.290 61 HD12 LEU 42 2HD1 LEU 42 23.580 24.318 7.748 62 HD13 LEU 42 3HD1 LEU 42 21.827 24.190 7.601 63 HD21 LEU 42 3HD2 LEU 42 21.434 20.956 8.901 64 HD22 LEU 42 1HD2 LEU 42 20.687 22.124 7.814 65 HD23 LEU 42 2HD2 LEU 42 21.232 22.631 9.412 66 H TYR 43 HN TYR 43 21.967 18.564 5.539 67 HA TYR 43 HA TYR 43 24.379 16.885 5.135 68 HD1 TYR 43 HD1 TYR 43 22.580 16.344 1.608 69 HD2 TYR 43 HD2 TYR 43 23.775 13.964 4.979 70 HE1 TYR 43 HE1 TYR 43 23.612 14.689 0.075 71 HE2 TYR 43 HE2 TYR 43 24.808 12.311 3.446 72 HH TYR 43 HH TYR 43 24.340 11.661 0.861 73 HB2 TYR 43 2HB TYR 43 22.165 15.772 5.232 74 HB3 TYR 43 1HB TYR 43 21.635 16.727 3.846 75 H VAL 44 HN VAL 44 25.857 17.629 3.698 76 HA VAL 44 HA VAL 44 24.862 19.238 1.379 77 HB VAL 44 HB VAL 44 27.605 19.318 2.673 78 HG11 VAL 44 1HG1 VAL 44 26.490 20.341 0.179 79 HG12 VAL 44 2HG1 VAL 44 28.170 20.291 0.714 80 HG13 VAL 44 3HG1 VAL 44 27.133 21.636 1.190 81 HG21 VAL 44 3HG2 VAL 44 25.088 20.602 3.356 82 HG22 VAL 44 1HG2 VAL 44 26.314 21.796 2.930 83 HG23 VAL 44 2HG2 VAL 44 26.625 20.635 4.221 84 H TYR 45 HN TYR 45 25.386 18.480 -0.652 85 HA TYR 45 HA TYR 45 27.269 16.155 -0.775 86 HD1 TYR 45 HD1 TYR 45 26.401 13.532 -1.106 87 HD2 TYR 45 HD2 TYR 45 25.785 15.971 -4.588 88 HE1 TYR 45 HE1 TYR 45 27.362 11.744 -2.528 89 HE2 TYR 45 HE2 TYR 45 26.746 14.181 -6.011 90 HH TYR 45 HH TYR 45 28.395 11.465 -4.683 91 HB2 TYR 45 2HB TYR 45 24.868 15.511 -1.091 92 HB3 TYR 45 1HB TYR 45 24.804 16.585 -2.488 93 H GLY 46 HN GLY 46 28.717 16.149 -2.514 94 HA2 GLY 46 1HA GLY 46 28.631 17.532 -4.912 95 HA3 GLY 46 2HA GLY 46 29.234 18.725 -3.761 96 H GLU 47 HN GLU 47 30.976 18.115 -5.704 97 HA GLU 47 HA GLU 47 32.804 16.047 -4.562 98 HB2 GLU 47 2HB GLU 47 32.772 17.314 -7.319 99 HB3 GLU 47 1HB GLU 47 33.904 16.075 -6.778 100 HG2 GLU 47 2HG GLU 47 31.983 14.552 -6.341 101 HG3 GLU 47 1HG GLU 47 30.890 15.784 -6.970 102 H ASP 48 HN ASP 48 35.150 16.625 -4.605 103 HA ASP 48 HA ASP 48 36.807 18.073 -3.751 104 HB2 ASP 48 2HB ASP 48 35.631 19.940 -5.828 105 HB3 ASP 48 1HB ASP 48 37.286 19.931 -5.220 106 H MET 49 HN MET 49 34.924 18.149 -1.914 107 HA MET 49 HA MET 49 34.238 21.030 -1.509 108 HB2 MET 49 2HB MET 49 33.000 18.537 -0.308 109 HB3 MET 49 1HB MET 49 32.532 20.187 0.098 110 HG2 MET 49 2HG MET 49 32.031 20.563 -2.343 111 HG3 MET 49 1HG MET 49 32.318 18.844 -2.612 112 HE1 MET 49 3HE MET 49 31.159 17.003 -1.036 113 HE2 MET 49 1HE MET 49 29.766 17.327 0.006 114 HE3 MET 49 2HE MET 49 31.346 17.991 0.411 115 H THR 50 HN THR 50 35.061 22.062 0.288 116 HA THR 50 HA THR 50 36.618 20.381 2.214 117 HB THR 50 HB THR 50 37.845 22.812 2.369 118 HG1 THR 50 1HG THR 50 37.678 23.855 0.556 119 HG21 THR 50 3HG2 THR 50 38.632 20.816 0.251 120 HG22 THR 50 1HG2 THR 50 38.741 20.423 1.967 121 HG23 THR 50 2HG2 THR 50 39.676 21.765 1.310 122 HA PRO 51 HA PRO 51 34.410 22.359 5.500 123 HB2 PRO 51 2HB PRO 51 36.317 22.872 7.340 124 HB3 PRO 51 1HB PRO 51 35.733 21.245 6.990 125 HG2 PRO 51 2HG PRO 51 38.225 22.610 6.057 126 HG3 PRO 51 1HG PRO 51 38.002 20.941 6.588 127 HD2 PRO 51 1HD PRO 51 38.155 21.647 3.965 128 HD3 PRO 51 2HD PRO 51 37.232 20.255 4.530 129 H THR 52 HN THR 52 37.528 24.111 5.179 130 HA THR 52 HA THR 52 36.693 26.599 6.135 131 HB THR 52 HB THR 52 38.492 26.247 3.723 132 HG1 THR 52 1HG THR 52 39.110 26.062 6.485 133 HG21 THR 52 3HG2 THR 52 38.320 28.306 5.940 134 HG22 THR 52 1HG2 THR 52 37.961 28.561 4.232 135 HG23 THR 52 2HG2 THR 52 39.616 28.239 4.746 136 H LEU 53 HN LEU 53 36.516 25.442 2.752 137 HA LEU 53 HA LEU 53 35.212 27.738 1.695 138 HG LEU 53 HG LEU 53 33.330 26.765 -0.092 139 HB2 LEU 53 2HB LEU 53 36.184 25.869 0.328 140 HB3 LEU 53 1HB LEU 53 34.821 24.861 0.813 141 HD11 LEU 53 1HD1 LEU 53 36.042 27.707 -0.762 142 HD12 LEU 53 2HD1 LEU 53 34.538 28.616 -0.622 143 HD13 LEU 53 3HD1 LEU 53 34.908 27.749 -2.113 144 HD21 LEU 53 3HD2 LEU 53 34.337 24.477 -1.239 145 HD22 LEU 53 1HD2 LEU 53 34.782 25.703 -2.426 146 HD23 LEU 53 2HD2 LEU 53 33.093 25.496 -1.962 147 H LEU 54 HN LEU 54 33.801 24.678 2.905 148 HA LEU 54 HA LEU 54 31.082 25.380 2.593 149 HG LEU 54 HG LEU 54 32.456 23.164 2.133 150 HB2 LEU 54 2HB LEU 54 32.414 23.688 4.730 151 HB3 LEU 54 1HB LEU 54 30.671 23.760 4.467 152 HD11 LEU 54 1HD1 LEU 54 32.703 21.676 4.445 153 HD12 LEU 54 2HD1 LEU 54 33.037 21.082 2.819 154 HD13 LEU 54 3HD1 LEU 54 31.460 20.794 3.557 155 HD21 LEU 54 3HD2 LEU 54 29.841 21.855 2.823 156 HD22 LEU 54 1HD2 LEU 54 30.524 22.211 1.235 157 HD23 LEU 54 2HD2 LEU 54 29.848 23.512 2.216 158 H ARG 55 HN ARG 55 33.199 25.856 5.441 159 HA ARG 55 HA ARG 55 31.409 27.095 7.176 160 HE ARG 55 HE ARG 55 33.832 27.955 10.152 161 HB2 ARG 55 2HB ARG 55 34.317 27.735 6.626 162 HB3 ARG 55 1HB ARG 55 33.411 28.462 7.953 163 HG2 ARG 55 2HG ARG 55 32.887 26.184 8.806 164 HG3 ARG 55 1HG ARG 55 33.868 25.495 7.513 165 HD2 ARG 55 2HD ARG 55 35.292 25.601 9.433 166 HD3 ARG 55 1HD ARG 55 35.789 26.930 8.386 167 HH11 ARG 55 1HH1 ARG 55 37.118 27.006 9.914 168 HH12 ARG 55 2HH1 ARG 55 37.566 27.661 11.454 169 HH21 ARG 55 1HH2 ARG 55 34.338 28.619 12.283 170 HH22 ARG 55 2HH2 ARG 55 35.992 28.574 12.795 171 H GLY 56 HN GLY 56 33.052 28.505 4.370 172 HA2 GLY 56 2HA GLY 56 32.080 31.191 4.837 173 HA3 GLY 56 1HA GLY 56 32.759 30.592 3.323 174 H ALA 57 HN ALA 57 30.837 28.357 3.159 175 HA ALA 57 HA ALA 57 28.679 29.802 1.837 176 HB1 ALA 57 1HB ALA 57 29.791 27.220 1.670 177 HB2 ALA 57 2HB ALA 57 28.442 27.852 0.727 178 HB3 ALA 57 3HB ALA 57 28.136 26.981 2.230 179 H PHE 58 HN PHE 58 29.184 28.336 4.949 180 HA PHE 58 HA PHE 58 26.302 28.809 5.605 181 HD1 PHE 58 HD1 PHE 58 28.768 25.862 4.675 182 HD2 PHE 58 HD2 PHE 58 24.745 26.248 6.129 183 HE1 PHE 58 HE1 PHE 58 27.994 24.243 2.963 184 HE2 PHE 58 HE2 PHE 58 23.971 24.628 4.418 185 HZ PHE 58 HZ PHE 58 25.596 23.625 2.835 186 HB2 PHE 58 2HB PHE 58 28.274 26.883 6.874 187 HB3 PHE 58 1HB PHE 58 26.610 27.123 7.402 188 H SER 59 HN SER 59 29.152 30.296 5.839 189 HA SER 59 HA SER 59 29.330 30.882 8.673 190 HG SER 59 HG SER 59 31.515 31.775 8.947 191 HB2 SER 59 2HB SER 59 30.750 31.604 6.228 192 HB3 SER 59 1HB SER 59 30.571 32.977 7.321 193 HA PRO 60 HA PRO 60 27.275 35.099 7.367 194 HB2 PRO 60 2HB PRO 60 26.077 35.182 4.944 195 HB3 PRO 60 1HB PRO 60 27.764 35.635 5.202 196 HG2 PRO 60 2HG PRO 60 26.628 33.057 4.181 197 HG3 PRO 60 1HG PRO 60 28.011 33.978 3.578 198 HD2 PRO 60 2HD PRO 60 28.326 31.808 5.140 199 HD3 PRO 60 1HD PRO 60 29.425 33.183 5.233 200 H PHE 61 HN PHE 61 25.784 32.098 6.211 201 HA PHE 61 HA PHE 61 23.061 32.941 6.559 202 HD1 PHE 61 HD1 PHE 61 21.270 31.423 4.933 203 HD2 PHE 61 HD2 PHE 61 25.465 30.669 4.411 204 HE1 PHE 61 HE1 PHE 61 21.012 31.693 2.482 205 HE2 PHE 61 HE2 PHE 61 25.209 30.939 1.959 206 HZ PHE 61 HZ PHE 61 22.982 31.451 0.994 207 HB2 PHE 61 2HB PHE 61 24.389 30.225 6.526 208 HB3 PHE 61 1HB PHE 61 22.648 30.417 6.732 209 H GLY 62 HN GLY 62 25.491 31.691 8.767 210 HA2 GLY 62 1HA GLY 62 24.235 32.681 11.095 211 HA3 GLY 62 2HA GLY 62 23.736 30.998 10.923 212 H ASN 63 HN ASN 63 25.006 30.820 13.014 213 HA ASN 63 HA ASN 63 27.949 30.729 12.540 214 HB2 ASN 63 2HB ASN 63 26.332 30.679 15.106 215 HB3 ASN 63 1HB ASN 63 28.089 30.544 15.033 216 HD21 ASN 63 1HD2 ASN 63 26.949 32.731 16.407 217 HD22 ASN 63 2HD2 ASN 63 27.224 34.155 15.525 218 H ILE 64 HN ILE 64 28.998 28.773 12.517 219 HA ILE 64 HA ILE 64 27.312 26.345 12.784 220 HB ILE 64 HB ILE 64 30.140 26.683 11.741 221 HG12 ILE 64 2HG1 ILE 64 27.620 26.108 10.171 222 HG13 ILE 64 1HG1 ILE 64 28.210 27.749 10.434 223 HG21 ILE 64 1HG2 ILE 64 30.095 24.412 11.154 224 HG22 ILE 64 2HG2 ILE 64 28.338 24.320 11.269 225 HG23 ILE 64 3HG2 ILE 64 29.314 24.408 12.734 226 HD11 ILE 64 3HD1 ILE 64 29.780 27.505 8.835 227 HD12 ILE 64 1HD1 ILE 64 29.034 25.963 8.422 228 HD13 ILE 64 2HD1 ILE 64 30.369 26.016 9.573 229 H ILE 65 HN ILE 65 27.704 24.782 14.350 230 HA ILE 65 HA ILE 65 29.627 25.564 16.486 231 HB ILE 65 HB ILE 65 28.350 24.141 17.958 232 HG12 ILE 65 2HG1 ILE 65 26.660 23.316 15.589 233 HG13 ILE 65 1HG1 ILE 65 28.026 22.357 16.153 234 HG21 ILE 65 1HG2 ILE 65 25.919 25.025 17.246 235 HG22 ILE 65 2HG2 ILE 65 26.890 26.027 16.168 236 HG23 ILE 65 3HG2 ILE 65 27.146 26.103 17.911 237 HD11 ILE 65 3HD1 ILE 65 25.623 23.161 17.821 238 HD12 ILE 65 1HD1 ILE 65 26.996 22.216 18.397 239 HD13 ILE 65 2HD1 ILE 65 25.924 21.554 17.162 240 H ASP 66 HN ASP 66 29.001 23.136 14.071 241 HA ASP 66 HA ASP 66 31.586 21.869 14.739 242 HB2 ASP 66 2HB ASP 66 29.671 20.664 15.966 243 HB3 ASP 66 1HB ASP 66 29.136 20.140 14.369 244 H LEU 67 HN LEU 67 32.603 21.060 12.908 245 HA LEU 67 HA LEU 67 31.049 21.240 10.355 246 HG LEU 67 HG LEU 67 33.684 22.809 8.445 247 HB2 LEU 67 2HB LEU 67 32.918 22.954 10.745 248 HB3 LEU 67 1HB LEU 67 34.041 21.601 10.617 249 HD11 LEU 67 1HD1 LEU 67 32.474 20.131 7.999 250 HD12 LEU 67 2HD1 LEU 67 34.005 20.160 8.876 251 HD13 LEU 67 3HD1 LEU 67 33.901 20.859 7.259 252 HD21 LEU 67 3HD2 LEU 67 31.178 23.164 9.053 253 HD22 LEU 67 1HD2 LEU 67 30.952 21.545 8.392 254 HD23 LEU 67 2HD2 LEU 67 31.594 22.832 7.371 255 H SER 68 HN SER 68 30.573 19.108 9.908 256 HA SER 68 HA SER 68 32.787 17.124 10.207 257 HG SER 68 HG SER 68 31.434 15.052 9.206 258 HB2 SER 68 2HB SER 68 30.744 16.576 11.464 259 HB3 SER 68 1HB SER 68 29.794 16.686 9.984 260 H MET 69 HN MET 69 33.444 15.943 8.412 261 HA MET 69 HA MET 69 32.004 16.459 5.851 262 HB2 MET 69 2HB MET 69 34.964 16.735 6.404 263 HB3 MET 69 1HB MET 69 34.322 16.535 4.773 264 HG2 MET 69 2HG MET 69 32.769 18.511 5.329 265 HG3 MET 69 1HG MET 69 33.824 18.798 6.713 266 HE1 MET 69 3HE MET 69 34.491 19.417 2.298 267 HE2 MET 69 1HE MET 69 33.156 18.647 3.163 268 HE3 MET 69 2HE MET 69 34.616 17.732 2.800 269 H ASP 70 HN ASP 70 31.925 14.677 4.476 270 HA ASP 70 HA ASP 70 33.324 12.213 5.437 271 HB2 ASP 70 2HB ASP 70 30.643 12.206 4.047 272 HB3 ASP 70 1HB ASP 70 31.403 10.901 4.957 273 HA PRO 71 HA PRO 71 34.830 12.719 1.197 274 HB2 PRO 71 2HB PRO 71 36.978 11.112 1.488 275 HB3 PRO 71 1HB PRO 71 36.942 12.797 2.008 276 HG2 PRO 71 2HG PRO 71 36.719 10.311 3.620 277 HG3 PRO 71 1HG PRO 71 37.465 11.852 4.036 278 HD2 PRO 71 2HD PRO 71 34.975 11.028 4.913 279 HD3 PRO 71 1HD PRO 71 35.519 12.703 4.859 280 HA PRO 72 HA PRO 72 34.403 7.929 0.521 281 HB2 PRO 72 2HB PRO 72 32.887 6.583 2.296 282 HB3 PRO 72 1HB PRO 72 34.636 6.746 2.462 283 HG2 PRO 72 2HG PRO 72 32.449 8.209 3.863 284 HG3 PRO 72 1HG PRO 72 33.999 7.646 4.492 285 HD2 PRO 72 1HD PRO 72 33.486 10.238 3.783 286 HD3 PRO 72 2HD PRO 72 35.095 9.528 3.801 287 H ARG 73 HN ARG 73 31.826 9.861 1.930 288 HA ARG 73 HA ARG 73 29.918 8.660 -0.031 289 HE ARG 73 HE ARG 73 26.645 7.993 1.838 290 HB2 ARG 73 2HB ARG 73 29.420 10.181 2.545 291 HB3 ARG 73 1HB ARG 73 28.149 9.672 1.433 292 HG2 ARG 73 2HG ARG 73 28.957 7.309 1.687 293 HG3 ARG 73 1HG ARG 73 30.084 7.874 2.921 294 HD2 ARG 73 2HD ARG 73 28.147 7.092 4.094 295 HD3 ARG 73 1HD ARG 73 28.068 8.853 4.134 296 HH11 ARG 73 1HH1 ARG 73 26.447 6.706 4.942 297 HH12 ARG 73 2HH1 ARG 73 24.769 7.064 5.169 298 HH21 ARG 73 1HH2 ARG 73 24.500 8.930 2.260 299 HH22 ARG 73 2HH2 ARG 73 23.665 8.323 3.651 300 H ASN 74 HN ASN 74 31.937 11.244 0.265 301 HA ASN 74 HA ASN 74 32.013 13.355 -0.757 302 HB2 ASN 74 2HB ASN 74 29.807 12.135 -2.445 303 HB3 ASN 74 1HB ASN 74 30.741 13.573 -2.858 304 HD21 ASN 74 1HD2 ASN 74 30.768 11.244 -4.535 305 HD22 ASN 74 2HD2 ASN 74 32.322 10.565 -4.480 306 H CYS 75 HN CYS 75 30.589 13.373 1.597 307 HA CYS 75 HA CYS 75 28.578 15.463 1.018 308 HG CYS 75 HG CYS 75 27.441 11.848 3.214 309 HB2 CYS 75 2HB CYS 75 26.908 14.401 2.511 310 HB3 CYS 75 1HB CYS 75 27.264 13.380 1.118 311 H ALA 76 HN ALA 76 28.655 17.070 2.565 312 HA ALA 76 HA ALA 76 30.395 16.533 4.933 313 HB1 ALA 76 1HB ALA 76 31.406 18.266 3.687 314 HB2 ALA 76 2HB ALA 76 30.527 19.113 4.959 315 HB3 ALA 76 3HB ALA 76 29.857 19.029 3.330 316 H PHE 77 HN PHE 77 29.526 16.776 6.945 317 HA PHE 77 HA PHE 77 26.684 17.670 7.095 318 HD1 PHE 77 HD1 PHE 77 26.785 16.107 5.894 319 HD2 PHE 77 HD2 PHE 77 26.896 13.783 9.504 320 HE1 PHE 77 HE1 PHE 77 25.949 14.136 4.649 321 HE2 PHE 77 HE2 PHE 77 26.054 11.812 8.259 322 HZ PHE 77 HZ PHE 77 25.580 11.988 5.831 323 HB2 PHE 77 2HB PHE 77 28.371 16.015 8.999 324 HB3 PHE 77 1HB PHE 77 26.719 16.523 9.333 325 H VAL 78 HN VAL 78 26.621 19.835 7.570 326 HA VAL 78 HA VAL 78 28.587 20.890 9.540 327 HB VAL 78 HB VAL 78 28.674 22.152 7.538 328 HG11 VAL 78 1HG1 VAL 78 25.663 22.055 7.667 329 HG12 VAL 78 2HG1 VAL 78 26.709 21.325 6.450 330 HG13 VAL 78 3HG1 VAL 78 26.551 23.081 6.541 331 HG21 VAL 78 3HG2 VAL 78 28.547 23.561 9.561 332 HG22 VAL 78 1HG2 VAL 78 26.788 23.576 9.443 333 HG23 VAL 78 2HG2 VAL 78 27.762 24.361 8.200 334 H THR 79 HN THR 79 27.847 21.851 11.448 335 HA THR 79 HA THR 79 24.983 21.372 12.060 336 HB THR 79 HB THR 79 27.150 22.229 13.989 337 HG1 THR 79 1HG THR 79 26.296 19.596 13.391 338 HG21 THR 79 3HG2 THR 79 24.367 21.123 14.184 339 HG22 THR 79 1HG2 THR 79 25.092 22.467 15.062 340 HG23 THR 79 2HG2 THR 79 25.522 20.808 15.479 341 H TYR 80 HN TYR 80 23.721 23.067 13.098 342 HA TYR 80 HA TYR 80 24.784 25.821 12.650 343 HD1 TYR 80 HD1 TYR 80 24.605 27.533 11.924 344 HD2 TYR 80 HD2 TYR 80 22.345 25.142 9.164 345 HE1 TYR 80 HE1 TYR 80 25.540 28.833 10.032 346 HE2 TYR 80 HE2 TYR 80 23.279 26.441 7.273 347 HH TYR 80 HH TYR 80 25.428 29.220 7.838 348 HB2 TYR 80 2HB TYR 80 22.456 24.520 11.445 349 HB3 TYR 80 1HB TYR 80 22.036 26.021 12.271 350 H GLU 81 HN GLU 81 24.564 27.095 14.431 351 HA GLU 81 HA GLU 81 23.804 26.240 16.951 352 HB2 GLU 81 2HB GLU 81 24.830 28.498 16.246 353 HB3 GLU 81 1HB GLU 81 23.170 29.040 16.009 354 HG2 GLU 81 2HG GLU 81 22.650 28.412 18.355 355 HG3 GLU 81 1HG GLU 81 24.332 27.931 18.584 356 H LYS 82 HN LYS 82 21.693 27.424 14.375 357 HA LYS 82 HA LYS 82 19.375 26.394 15.926 358 HB2 LYS 82 2HB LYS 82 19.512 29.130 14.626 359 HB3 LYS 82 1HB LYS 82 18.055 28.410 15.310 360 HG2 LYS 82 2HG LYS 82 19.225 28.237 17.510 361 HG3 LYS 82 1HG LYS 82 20.612 29.069 16.807 362 HD2 LYS 82 2HD LYS 82 19.091 30.985 16.234 363 HD3 LYS 82 1HD LYS 82 17.799 30.163 17.110 364 HE2 LYS 82 2HE LYS 82 20.363 30.446 18.575 365 HE3 LYS 82 1HE LYS 82 19.489 31.946 18.272 366 HZ1 LYS 82 3HZ LYS 82 18.554 31.234 20.228 367 HZ2 LYS 82 1HZ LYS 82 18.653 29.591 19.820 368 HZ3 LYS 82 2HZ LYS 82 17.472 30.575 19.096 369 H MET 83 HN MET 83 17.594 25.760 14.573 370 HA MET 83 HA MET 83 18.343 24.690 12.025 371 HB2 MET 83 2HB MET 83 15.551 25.235 13.080 372 HB3 MET 83 1HB MET 83 15.974 24.123 11.780 373 HG2 MET 83 2HG MET 83 17.426 22.879 13.434 374 HG3 MET 83 1HG MET 83 16.751 23.903 14.701 375 HE1 MET 83 3HE MET 83 16.599 21.343 15.401 376 HE2 MET 83 1HE MET 83 14.975 20.646 15.479 377 HE3 MET 83 2HE MET 83 15.303 22.213 16.216 378 H GLU 84 HN GLU 84 16.997 27.766 12.999 379 HA GLU 84 HA GLU 84 15.854 28.629 10.559 380 HB2 GLU 84 2HB GLU 84 17.356 30.207 12.667 381 HB3 GLU 84 1HB GLU 84 16.434 30.942 11.356 382 HG2 GLU 84 2HG GLU 84 14.411 29.700 12.146 383 HG3 GLU 84 1HG GLU 84 15.352 29.103 13.512 384 H SER 85 HN SER 85 19.229 28.978 11.697 385 HA SER 85 HA SER 85 20.209 30.254 9.343 386 HG SER 85 HG SER 85 22.509 30.146 9.226 387 HB2 SER 85 2HB SER 85 21.522 30.165 11.416 388 HB3 SER 85 1HB SER 85 21.648 28.412 11.279 389 H ALA 86 HN ALA 86 19.618 26.873 10.118 390 HA ALA 86 HA ALA 86 21.022 25.849 7.785 391 HB1 ALA 86 1HB ALA 86 18.962 24.571 9.609 392 HB2 ALA 86 2HB ALA 86 20.715 24.420 9.742 393 HB3 ALA 86 3HB ALA 86 19.871 23.710 8.366 394 H ASP 87 HN ASP 87 17.706 26.803 8.522 395 HA ASP 87 HA ASP 87 16.543 25.680 6.130 396 HB2 ASP 87 2HB ASP 87 15.241 26.346 8.169 397 HB3 ASP 87 1HB ASP 87 15.550 28.034 7.763 398 H GLN 88 HN GLN 88 17.752 28.931 6.965 399 HA GLN 88 HA GLN 88 17.104 30.067 4.387 400 HB2 GLN 88 2HB GLN 88 17.447 31.433 6.438 401 HB3 GLN 88 1HB GLN 88 19.154 30.992 6.421 402 HG2 GLN 88 2HG GLN 88 19.377 32.006 4.168 403 HG3 GLN 88 1HG GLN 88 17.680 32.482 4.227 404 HE21 GLN 88 1HE2 GLN 88 19.390 34.589 3.951 405 HE22 GLN 88 2HE2 GLN 88 19.588 35.428 5.412 406 H ALA 89 HN ALA 89 20.033 28.597 5.768 407 HA ALA 89 HA ALA 89 21.668 29.182 3.443 408 HB1 ALA 89 1HB ALA 89 23.275 28.564 4.890 409 HB2 ALA 89 2HB ALA 89 22.678 26.906 4.835 410 HB3 ALA 89 3HB ALA 89 22.047 28.031 6.037 411 H VAL 90 HN VAL 90 19.892 26.303 4.575 412 HA VAL 90 HA VAL 90 20.713 24.559 2.477 413 HB VAL 90 HB VAL 90 18.157 24.638 4.102 414 HG11 VAL 90 1HG1 VAL 90 19.195 22.651 2.079 415 HG12 VAL 90 2HG1 VAL 90 17.594 23.384 2.169 416 HG13 VAL 90 3HG1 VAL 90 18.077 22.171 3.355 417 HG21 VAL 90 3HG2 VAL 90 19.307 23.489 5.680 418 HG22 VAL 90 1HG2 VAL 90 20.758 24.040 4.842 419 HG23 VAL 90 2HG2 VAL 90 20.078 22.454 4.477 420 H ALA 91 HN ALA 91 18.220 27.045 2.615 421 HA ALA 91 HA ALA 91 17.007 26.247 0.081 422 HB1 ALA 91 1HB ALA 91 15.435 27.842 0.542 423 HB2 ALA 91 2HB ALA 91 16.639 29.023 1.061 424 HB3 ALA 91 3HB ALA 91 16.122 27.747 2.164 425 H GLU 92 HN GLU 92 18.989 29.051 1.111 426 HA GLU 92 HA GLU 92 19.350 30.016 -1.582 427 HB2 GLU 92 2HB GLU 92 20.941 30.539 0.946 428 HB3 GLU 92 1HB GLU 92 21.135 31.431 -0.562 429 HG2 GLU 92 2HG GLU 92 18.564 31.226 1.035 430 HG3 GLU 92 1HG GLU 92 19.635 32.627 1.002 431 H LEU 93 HN LEU 93 21.345 27.997 0.573 432 HA LEU 93 HA LEU 93 23.562 27.814 -1.265 433 HG LEU 93 HG LEU 93 23.114 28.322 1.634 434 HB2 LEU 93 2HB LEU 93 22.739 25.929 0.964 435 HB3 LEU 93 1HB LEU 93 24.312 25.954 0.167 436 HD11 LEU 93 1HD1 LEU 93 23.595 26.504 3.210 437 HD12 LEU 93 2HD1 LEU 93 24.791 27.788 3.390 438 HD13 LEU 93 3HD1 LEU 93 25.207 26.311 2.519 439 HD21 LEU 93 3HD2 LEU 93 25.704 27.757 0.217 440 HD22 LEU 93 1HD2 LEU 93 25.673 28.904 1.557 441 HD23 LEU 93 2HD2 LEU 93 24.679 29.189 0.128 442 H ASN 94 HN ASN 94 20.708 25.775 -0.661 443 HA ASN 94 HA ASN 94 21.494 23.726 -2.548 444 HB2 ASN 94 2HB ASN 94 19.833 23.398 -0.689 445 HB3 ASN 94 1HB ASN 94 18.703 24.407 -1.591 446 HD21 ASN 94 1HD2 ASN 94 17.186 22.946 -2.439 447 HD22 ASN 94 2HD2 ASN 94 17.584 21.546 -3.312 448 H GLY 95 HN GLY 95 21.373 23.829 -4.739 449 HA2 GLY 95 2HA GLY 95 20.196 24.322 -6.804 450 HA3 GLY 95 1HA GLY 95 19.364 25.638 -5.977 451 H THR 96 HN THR 96 22.757 25.335 -5.403 452 HA THR 96 HA THR 96 23.251 27.603 -7.294 453 HB THR 96 HB THR 96 24.717 28.607 -5.692 454 HG1 THR 96 1HG THR 96 24.298 26.544 -3.850 455 HG21 THR 96 3HG2 THR 96 22.430 29.101 -5.167 456 HG22 THR 96 1HG2 THR 96 23.233 28.753 -3.637 457 HG23 THR 96 2HG2 THR 96 22.206 27.534 -4.391 458 H GLN 97 HN GLN 97 25.508 27.710 -8.086 459 HA GLN 97 HA GLN 97 26.852 25.038 -8.038 460 HB2 GLN 97 2HB GLN 97 25.721 25.454 -10.211 461 HB3 GLN 97 1HB GLN 97 26.651 26.942 -10.392 462 HG2 GLN 97 2HG GLN 97 28.749 25.633 -10.311 463 HG3 GLN 97 1HG GLN 97 27.811 24.148 -10.150 464 HE21 GLN 97 1HE2 GLN 97 29.433 24.202 -12.351 465 HE22 GLN 97 2HE2 GLN 97 28.544 24.496 -13.768 466 H VAL 98 HN VAL 98 29.156 25.102 -8.071 467 HA VAL 98 HA VAL 98 30.272 27.679 -7.125 468 HB VAL 98 HB VAL 98 31.926 25.194 -7.342 469 HG11 VAL 98 1HG1 VAL 98 31.807 26.720 -4.837 470 HG12 VAL 98 2HG1 VAL 98 32.252 27.706 -6.229 471 HG13 VAL 98 3HG1 VAL 98 33.206 26.280 -5.817 472 HG21 VAL 98 3HG2 VAL 98 30.979 24.429 -5.150 473 HG22 VAL 98 1HG2 VAL 98 29.828 24.312 -6.481 474 HG23 VAL 98 2HG2 VAL 98 29.706 25.637 -5.324 475 H GLU 99 HN GLU 99 33.000 26.836 -8.028 476 HA GLU 99 HA GLU 99 33.151 28.307 -10.441 477 HB2 GLU 99 2HB GLU 99 35.010 26.170 -9.355 478 HB3 GLU 99 1HB GLU 99 35.407 27.243 -10.698 479 HG2 GLU 99 2HG GLU 99 35.005 29.199 -9.191 480 HG3 GLU 99 1HG GLU 99 34.751 28.075 -7.855 481 H SER 100 HN SER 100 32.980 24.778 -9.936 482 HA SER 100 HA SER 100 31.718 24.475 -12.569 483 HG SER 100 HG SER 100 35.107 22.779 -11.637 484 HB2 SER 100 2HB SER 100 33.397 23.332 -13.671 485 HB3 SER 100 1HB SER 100 34.387 24.421 -12.700 486 H VAL 101 HN VAL 101 31.378 23.883 -9.571 487 HA VAL 101 HA VAL 101 30.613 21.017 -9.938 488 HB VAL 101 HB VAL 101 32.638 21.401 -8.426 489 HG11 VAL 101 1HG1 VAL 101 32.455 22.615 -6.487 490 HG12 VAL 101 2HG1 VAL 101 30.753 22.209 -6.271 491 HG13 VAL 101 3HG1 VAL 101 31.221 23.463 -7.419 492 HG21 VAL 101 3HG2 VAL 101 30.171 20.178 -7.152 493 HG22 VAL 101 1HG2 VAL 101 31.847 19.795 -6.759 494 HG23 VAL 101 2HG2 VAL 101 31.193 19.372 -8.341 495 H GLN 102 HN GLN 102 28.548 20.505 -9.215 496 HA GLN 102 HA GLN 102 26.826 22.786 -8.494 497 HB2 GLN 102 2HB GLN 102 26.214 19.865 -9.036 498 HB3 GLN 102 1HB GLN 102 24.991 21.085 -8.679 499 HG2 GLN 102 2HG GLN 102 25.720 22.391 -10.643 500 HG3 GLN 102 1HG GLN 102 26.945 21.174 -11.000 501 HE21 GLN 102 1HE2 GLN 102 24.910 21.749 -12.906 502 HE22 GLN 102 2HE2 GLN 102 23.872 20.410 -13.022 503 H LEU 103 HN LEU 103 25.968 23.119 -6.463 504 HA LEU 103 HA LEU 103 26.920 21.286 -4.319 505 HG LEU 103 HG LEU 103 28.067 23.895 -5.174 506 HB2 LEU 103 2HB LEU 103 25.789 24.097 -4.174 507 HB3 LEU 103 1HB LEU 103 26.343 23.157 -2.790 508 HD11 LEU 103 1HD1 LEU 103 27.666 25.918 -3.983 509 HD12 LEU 103 2HD1 LEU 103 29.215 25.331 -3.378 510 HD13 LEU 103 3HD1 LEU 103 27.751 25.105 -2.420 511 HD21 LEU 103 3HD2 LEU 103 29.884 23.167 -3.530 512 HD22 LEU 103 1HD2 LEU 103 28.880 21.874 -4.186 513 HD23 LEU 103 2HD2 LEU 103 28.590 22.475 -2.553 514 H LYS 104 HN LYS 104 25.460 20.322 -2.885 515 HA LYS 104 HA LYS 104 22.557 20.775 -3.409 516 HB2 LYS 104 2HB LYS 104 23.960 18.095 -3.194 517 HB3 LYS 104 1HB LYS 104 22.209 18.304 -3.199 518 HG2 LYS 104 2HG LYS 104 22.397 19.440 -5.418 519 HG3 LYS 104 1HG LYS 104 24.126 19.089 -5.417 520 HD2 LYS 104 2HD LYS 104 23.559 16.650 -5.175 521 HD3 LYS 104 1HD LYS 104 21.859 17.075 -5.378 522 HE2 LYS 104 2HE LYS 104 22.971 18.366 -7.512 523 HE3 LYS 104 1HE LYS 104 24.028 16.960 -7.385 524 HZ1 LYS 104 3HZ LYS 104 21.195 16.417 -7.112 525 HZ2 LYS 104 1HZ LYS 104 22.387 15.564 -7.965 526 HZ3 LYS 104 2HZ LYS 104 21.681 16.948 -8.650 527 H VAL 105 HN VAL 105 21.279 20.670 -1.543 528 HA VAL 105 HA VAL 105 22.723 20.018 0.995 529 HB VAL 105 HB VAL 105 20.650 22.200 0.636 530 HG11 VAL 105 1HG1 VAL 105 22.582 21.803 2.922 531 HG12 VAL 105 2HG1 VAL 105 21.008 21.009 2.903 532 HG13 VAL 105 3HG1 VAL 105 21.106 22.769 2.889 533 HG21 VAL 105 3HG2 VAL 105 22.364 23.347 -0.312 534 HG22 VAL 105 1HG2 VAL 105 23.555 22.147 0.191 535 HG23 VAL 105 2HG2 VAL 105 23.040 23.404 1.316 536 H ASN 106 HN ASN 106 21.589 18.742 2.429 537 HA ASN 106 HA ASN 106 18.701 18.254 1.897 538 HB2 ASN 106 2HB ASN 106 20.805 16.094 2.249 539 HB3 ASN 106 1HB ASN 106 19.066 15.812 2.167 540 HD21 ASN 106 1HD2 ASN 106 20.993 14.759 0.233 541 HD22 ASN 106 2HD2 ASN 106 20.626 15.457 -1.271 542 H ILE 107 HN ILE 107 18.428 16.220 3.868 543 HA ILE 107 HA ILE 107 19.008 17.824 6.319 544 HB ILE 107 HB ILE 107 16.945 15.633 5.947 545 HG12 ILE 107 2HG1 ILE 107 16.311 17.451 4.510 546 HG13 ILE 107 1HG1 ILE 107 15.343 17.610 5.976 547 HG21 ILE 107 1HG2 ILE 107 17.419 15.845 8.257 548 HG22 ILE 107 2HG2 ILE 107 16.007 16.874 8.013 549 HG23 ILE 107 3HG2 ILE 107 17.611 17.595 8.143 550 HD11 ILE 107 3HD1 ILE 107 17.222 19.159 6.829 551 HD12 ILE 107 1HD1 ILE 107 16.164 19.799 5.571 552 HD13 ILE 107 2HD1 ILE 107 17.772 19.206 5.154 553 H ALA 108 HN ALA 108 20.274 16.931 7.904 554 HA ALA 108 HA ALA 108 20.911 14.020 7.693 555 HB1 ALA 108 1HB ALA 108 23.127 14.407 7.453 556 HB2 ALA 108 2HB ALA 108 23.120 15.647 8.707 557 HB3 ALA 108 3HB ALA 108 22.685 16.065 7.051 558 H ARG 109 HN ARG 109 21.606 13.077 9.755 559 HA ARG 109 HA ARG 109 20.885 14.738 12.131 560 HE ARG 109 HE ARG 109 18.365 10.912 11.512 561 HB2 ARG 109 2HB ARG 109 20.013 11.900 11.518 562 HB3 ARG 109 1HB ARG 109 19.852 12.650 13.105 563 HG2 ARG 109 2HG ARG 109 18.566 14.523 11.965 564 HG3 ARG 109 1HG ARG 109 18.548 13.520 10.514 565 HD2 ARG 109 2HD ARG 109 17.406 12.778 13.226 566 HD3 ARG 109 1HD ARG 109 16.483 13.161 11.774 567 HH11 ARG 109 1HH1 ARG 109 15.736 11.564 9.994 568 HH12 ARG 109 2HH1 ARG 109 14.729 10.274 10.562 569 HH21 ARG 109 1HH2 ARG 109 16.831 9.438 13.191 570 HH22 ARG 109 2HH2 ARG 109 15.350 9.070 12.372 571 H LYS 110 HN LYS 110 22.586 14.789 13.507 572 HA LYS 110 HA LYS 110 24.005 12.429 14.336 573 HB2 LYS 110 2HB LYS 110 24.954 12.843 11.999 574 HB3 LYS 110 1HB LYS 110 25.656 14.324 12.650 575 HG2 LYS 110 2HG LYS 110 26.802 12.974 14.402 576 HG3 LYS 110 1HG LYS 110 26.153 11.508 13.667 577 HD2 LYS 110 2HD LYS 110 27.296 12.126 11.532 578 HD3 LYS 110 1HD LYS 110 28.020 13.507 12.357 579 HE2 LYS 110 2HE LYS 110 28.403 10.580 13.053 580 HE3 LYS 110 1HE LYS 110 29.612 11.663 12.366 581 HZ1 LYS 110 3HZ LYS 110 29.345 13.061 14.379 582 HZ2 LYS 110 1HZ LYS 110 29.981 11.522 14.698 583 HZ3 LYS 110 2HZ LYS 110 28.351 11.854 15.045 584 H GLN 111 HN GLN 111 22.697 14.783 15.467 585 HA GLN 111 HA GLN 111 25.009 15.839 17.036 586 HB2 GLN 111 2HB GLN 111 23.848 17.448 15.309 587 HB3 GLN 111 1HB GLN 111 22.575 17.528 16.527 588 HG2 GLN 111 2HG GLN 111 24.290 19.327 16.800 589 HG3 GLN 111 1HG GLN 111 24.174 18.271 18.206 590 HE21 GLN 111 1HE2 GLN 111 25.961 18.211 15.058 591 HE22 GLN 111 2HE2 GLN 111 27.444 17.760 15.747 592 HA PRO 112 HA PRO 112 21.910 13.854 19.854 593 HB2 PRO 112 2HB PRO 112 23.754 12.784 21.511 594 HB3 PRO 112 1HB PRO 112 23.218 11.990 20.029 595 HG2 PRO 112 2HG PRO 112 25.700 13.578 20.544 596 HG3 PRO 112 1HG PRO 112 25.504 12.085 19.622 597 HD2 PRO 112 1HD PRO 112 25.708 14.531 18.446 598 HD3 PRO 112 2HD PRO 112 24.805 13.196 17.731 599 H MET 113 HN MET 113 24.747 15.865 20.532 600 HA MET 113 HA MET 113 24.466 16.486 23.210 601 HB2 MET 113 2HB MET 113 25.168 18.835 22.593 602 HB3 MET 113 1HB MET 113 26.182 17.569 21.899 603 HG2 MET 113 2HG MET 113 25.785 18.549 19.898 604 HG3 MET 113 1HG MET 113 24.161 17.872 20.020 605 HE1 MET 113 3HE MET 113 22.276 20.781 19.279 606 HE2 MET 113 1HE MET 113 22.710 19.076 19.083 607 HE3 MET 113 2HE MET 113 23.645 20.329 18.265 608 H LEU 114 HN LEU 114 22.267 17.295 20.617 609 HA LEU 114 HA LEU 114 20.215 18.060 22.549 610 HG LEU 114 HG LEU 114 18.971 19.801 22.629 611 HB2 LEU 114 2HB LEU 114 21.662 20.155 22.117 612 HB3 LEU 114 1HB LEU 114 20.965 20.143 20.498 613 HD11 LEU 114 1HD1 LEU 114 19.060 22.035 23.505 614 HD12 LEU 114 2HD1 LEU 114 20.331 22.494 22.372 615 HD13 LEU 114 3HD1 LEU 114 20.681 21.364 23.679 616 HD21 LEU 114 3HD2 LEU 114 19.128 20.690 19.965 617 HD22 LEU 114 1HD2 LEU 114 18.701 22.119 20.906 618 HD23 LEU 114 2HD2 LEU 114 17.693 20.675 20.990 619 H ASP 115 HN ASP 115 20.729 16.136 20.302 620 HA ASP 115 HA ASP 115 19.572 15.257 18.453 621 HB2 ASP 115 2HB ASP 115 17.338 16.841 19.766 622 HB3 ASP 115 1HB ASP 115 17.105 15.630 18.505 623 H ALA 116 HN ALA 116 21.106 17.447 17.795 624 HA ALA 116 HA ALA 116 21.344 18.871 15.927 625 HB1 ALA 116 1HB ALA 116 19.118 17.337 15.258 626 HB2 ALA 116 2HB ALA 116 19.935 18.489 14.201 627 HB3 ALA 116 3HB ALA 116 18.534 18.998 15.147 628 H ALA 117 HN ALA 117 17.966 19.520 16.848 629 HA ALA 117 HA ALA 117 18.630 21.799 18.481 630 HB1 ALA 117 1HB ALA 117 18.720 22.235 15.693 631 HB2 ALA 117 2HB ALA 117 18.746 23.457 16.964 632 HB3 ALA 117 3HB ALA 117 17.212 22.959 16.251 633 H THR 118 HN THR 118 16.562 23.084 18.968 634 HA THR 118 HA THR 118 14.217 21.238 18.771 635 HB THR 118 HB THR 118 15.193 21.621 21.081 636 HG1 THR 118 1HG THR 118 12.613 22.725 20.891 637 HG21 THR 118 3HG2 THR 118 15.354 24.232 20.279 638 HG22 THR 118 1HG2 THR 118 15.393 23.706 21.962 639 HG23 THR 118 2HG2 THR 118 13.879 24.255 21.245 640 H GLY 119 HN GLY 119 12.084 22.388 18.768 641 HA2 GLY 119 1HA GLY 119 11.857 25.192 18.266 642 HA3 GLY 119 2HA GLY 119 11.932 24.342 16.722 643 H LYS 120 HN LYS 120 9.620 25.543 16.978 644 HA LYS 120 HA LYS 120 7.728 23.499 18.073 645 HB2 LYS 120 2HB LYS 120 7.393 26.493 17.728 646 HB3 LYS 120 1HB LYS 120 6.086 25.400 18.187 647 HG2 LYS 120 2HG LYS 120 7.514 24.648 20.130 648 HG3 LYS 120 1HG LYS 120 8.648 25.935 19.717 649 HD2 LYS 120 2HD LYS 120 6.748 27.574 19.917 650 HD3 LYS 120 1HD LYS 120 5.741 26.255 20.515 651 HE2 LYS 120 2HE LYS 120 7.282 25.896 22.388 652 HE3 LYS 120 1HE LYS 120 8.348 27.161 21.774 653 HZ1 LYS 120 3HZ LYS 120 5.778 28.224 21.938 654 HZ2 LYS 120 1HZ LYS 120 7.138 28.638 22.862 655 HZ3 LYS 120 2HZ LYS 120 6.079 27.426 23.407 656 H SER 121 HN SER 121 6.072 22.785 16.709 657 HA SER 121 HA SER 121 5.406 24.055 14.209 658 HG SER 121 HG SER 121 7.550 24.171 12.964 659 HB2 SER 121 2HB SER 121 7.713 22.331 14.202 660 HB3 SER 121 1HB SER 121 6.428 21.589 13.247 Start of MODEL 14 1 H ALA 35 HN ALA 35 28.461 25.154 29.339 2 HA ALA 35 HA ALA 35 26.243 23.346 29.709 3 HB1 ALA 35 1HB ALA 35 25.174 25.568 28.466 4 HB2 ALA 35 2HB ALA 35 26.632 26.217 29.219 5 HB3 ALA 35 3HB ALA 35 25.419 25.401 30.205 6 HA PRO 36 HA PRO 36 25.880 21.742 25.579 7 HB2 PRO 36 2HB PRO 36 23.279 21.006 25.645 8 HB3 PRO 36 1HB PRO 36 24.553 20.109 26.475 9 HG2 PRO 36 2HG PRO 36 22.610 22.105 27.575 10 HG3 PRO 36 1HG PRO 36 23.130 20.565 28.265 11 HD2 PRO 36 2HD PRO 36 24.135 22.929 29.108 12 HD3 PRO 36 1HD PRO 36 25.098 21.450 29.092 13 H ARG 37 HN ARG 37 25.381 22.626 23.601 14 HA ARG 37 HA ARG 37 23.438 24.903 23.587 15 HE ARG 37 HE ARG 37 23.285 27.880 20.124 16 HB2 ARG 37 2HB ARG 37 25.708 25.687 23.160 17 HB3 ARG 37 1HB ARG 37 25.928 24.465 21.910 18 HG2 ARG 37 2HG ARG 37 25.376 26.422 20.702 19 HG3 ARG 37 1HG ARG 37 23.858 25.529 20.782 20 HD2 ARG 37 2HD ARG 37 23.259 26.872 22.825 21 HD3 ARG 37 1HD ARG 37 24.704 27.845 22.545 22 HH11 ARG 37 1HH1 ARG 37 22.484 28.484 23.415 23 HH12 ARG 37 2HH1 ARG 37 21.530 29.888 23.067 24 HH21 ARG 37 1HH2 ARG 37 22.180 29.813 19.661 25 HH22 ARG 37 2HH2 ARG 37 21.358 30.639 20.942 26 H LYS 38 HN LYS 38 22.027 25.037 21.765 27 HA LYS 38 HA LYS 38 21.333 22.452 20.609 28 HB2 LYS 38 2HB LYS 38 20.230 25.158 19.820 29 HB3 LYS 38 1HB LYS 38 19.448 23.585 19.656 30 HG2 LYS 38 2HG LYS 38 19.532 23.377 22.171 31 HG3 LYS 38 1HG LYS 38 20.095 25.047 22.231 32 HD2 LYS 38 2HD LYS 38 18.053 25.786 21.068 33 HD3 LYS 38 1HD LYS 38 17.492 24.117 20.980 34 HE2 LYS 38 2HE LYS 38 18.113 24.469 23.674 35 HE3 LYS 38 1HE LYS 38 17.366 25.998 23.211 36 HZ1 LYS 38 3HZ LYS 38 16.219 23.322 23.304 37 HZ2 LYS 38 1HZ LYS 38 15.715 24.318 22.026 38 HZ3 LYS 38 2HZ LYS 38 15.501 24.825 23.633 39 H GLY 39 HN GLY 39 20.566 23.115 18.013 40 HA2 GLY 39 1HA GLY 39 22.144 24.487 16.270 41 HA3 GLY 39 2HA GLY 39 23.181 23.120 16.676 42 H ASN 40 HN ASN 40 22.845 22.728 14.255 43 HA ASN 40 HA ASN 40 20.782 20.676 13.938 44 HB2 ASN 40 2HB ASN 40 19.563 22.804 13.422 45 HB3 ASN 40 1HB ASN 40 20.721 23.110 12.128 46 HD21 ASN 40 1HD2 ASN 40 18.499 22.963 10.872 47 HD22 ASN 40 2HD2 ASN 40 18.071 21.420 10.306 48 H THR 41 HN THR 41 21.795 19.080 12.825 49 HA THR 41 HA THR 41 24.272 19.645 11.368 50 HB THR 41 HB THR 41 22.731 17.040 11.569 51 HG1 THR 41 1HG THR 41 23.865 16.666 13.384 52 HG21 THR 41 3HG2 THR 41 24.750 15.990 10.888 53 HG22 THR 41 1HG2 THR 41 25.690 17.461 11.140 54 HG23 THR 41 2HG2 THR 41 24.556 17.358 9.793 55 H LEU 42 HN LEU 42 24.517 19.680 9.138 56 HA LEU 42 HA LEU 42 22.018 19.296 7.533 57 HG LEU 42 HG LEU 42 23.625 21.875 8.919 58 HB2 LEU 42 2HB LEU 42 24.279 21.106 6.698 59 HB3 LEU 42 1HB LEU 42 22.597 21.126 6.170 60 HD11 LEU 42 1HD1 LEU 42 22.067 23.910 7.718 61 HD12 LEU 42 2HD1 LEU 42 23.190 23.350 6.479 62 HD13 LEU 42 3HD1 LEU 42 23.803 23.935 8.026 63 HD21 LEU 42 3HD2 LEU 42 21.419 22.089 9.641 64 HD22 LEU 42 1HD2 LEU 42 21.305 20.657 8.616 65 HD23 LEU 42 2HD2 LEU 42 20.791 22.227 7.998 66 H TYR 43 HN TYR 43 22.295 18.327 5.449 67 HA TYR 43 HA TYR 43 24.827 16.763 5.211 68 HD1 TYR 43 HD1 TYR 43 24.647 13.844 5.082 69 HD2 TYR 43 HD2 TYR 43 22.904 15.885 1.729 70 HE1 TYR 43 HE1 TYR 43 25.792 12.280 3.535 71 HE2 TYR 43 HE2 TYR 43 24.049 14.321 0.182 72 HH TYR 43 HH TYR 43 24.972 11.966 0.301 73 HB2 TYR 43 2HB TYR 43 22.778 15.409 5.372 74 HB3 TYR 43 1HB TYR 43 22.091 16.269 3.994 75 H VAL 44 HN VAL 44 26.195 17.348 3.596 76 HA VAL 44 HA VAL 44 25.045 18.868 1.288 77 HB VAL 44 HB VAL 44 27.733 19.209 2.649 78 HG11 VAL 44 1HG1 VAL 44 26.583 20.531 0.173 79 HG12 VAL 44 2HG1 VAL 44 27.967 19.441 0.222 80 HG13 VAL 44 3HG1 VAL 44 28.067 21.028 0.983 81 HG21 VAL 44 3HG2 VAL 44 25.180 20.367 3.104 82 HG22 VAL 44 1HG2 VAL 44 26.168 21.600 2.319 83 HG23 VAL 44 2HG2 VAL 44 26.721 20.847 3.814 84 H TYR 45 HN TYR 45 25.625 18.140 -0.740 85 HA TYR 45 HA TYR 45 27.584 15.880 -0.835 86 HD1 TYR 45 HD1 TYR 45 26.774 13.224 -1.261 87 HD2 TYR 45 HD2 TYR 45 26.220 15.758 -4.686 88 HE1 TYR 45 HE1 TYR 45 27.820 11.500 -2.705 89 HE2 TYR 45 HE2 TYR 45 27.265 14.034 -6.130 90 HH TYR 45 HH TYR 45 29.138 11.856 -5.329 91 HB2 TYR 45 2HB TYR 45 25.220 15.171 -1.224 92 HB3 TYR 45 1HB TYR 45 25.146 16.275 -2.596 93 H GLY 46 HN GLY 46 29.233 16.117 -2.297 94 HA2 GLY 46 1HA GLY 46 29.043 17.603 -4.739 95 HA3 GLY 46 2HA GLY 46 29.808 18.605 -3.507 96 H GLU 47 HN GLU 47 31.560 18.249 -5.335 97 HA GLU 47 HA GLU 47 33.174 15.851 -4.558 98 HB2 GLU 47 2HB GLU 47 33.059 17.272 -7.237 99 HB3 GLU 47 1HB GLU 47 34.149 15.942 -6.843 100 HG2 GLU 47 2HG GLU 47 32.145 14.530 -6.316 101 HG3 GLU 47 1HG GLU 47 31.117 15.850 -6.877 102 H ASP 48 HN ASP 48 35.405 16.215 -4.212 103 HA ASP 48 HA ASP 48 37.200 17.499 -3.392 104 HB2 ASP 48 2HB ASP 48 37.363 17.798 -5.890 105 HB3 ASP 48 1HB ASP 48 36.446 19.295 -5.716 106 H MET 49 HN MET 49 35.065 18.003 -1.826 107 HA MET 49 HA MET 49 34.649 20.939 -1.748 108 HB2 MET 49 2HB MET 49 33.414 18.680 -0.152 109 HB3 MET 49 1HB MET 49 33.011 20.382 0.062 110 HG2 MET 49 2HG MET 49 32.381 20.474 -2.367 111 HG3 MET 49 1HG MET 49 32.639 18.731 -2.455 112 HE1 MET 49 3HE MET 49 31.411 16.991 -0.986 113 HE2 MET 49 1HE MET 49 30.141 17.367 0.185 114 HE3 MET 49 2HE MET 49 31.795 17.905 0.471 115 H THR 50 HN THR 50 35.527 22.224 -0.144 116 HA THR 50 HA THR 50 37.345 20.843 1.787 117 HB THR 50 HB THR 50 37.884 23.638 1.679 118 HG1 THR 50 1HG THR 50 37.370 24.067 -0.298 119 HG21 THR 50 3HG2 THR 50 39.211 21.081 1.358 120 HG22 THR 50 1HG2 THR 50 39.869 22.610 1.939 121 HG23 THR 50 2HG2 THR 50 39.839 22.263 0.210 122 HA PRO 51 HA PRO 51 35.024 22.379 5.228 123 HB2 PRO 51 2HB PRO 51 36.959 23.084 6.977 124 HB3 PRO 51 1HB PRO 51 36.569 21.403 6.604 125 HG2 PRO 51 2HG PRO 51 38.788 23.114 5.548 126 HG3 PRO 51 1HG PRO 51 38.839 21.430 6.075 127 HD2 PRO 51 1HD PRO 51 38.728 22.120 3.461 128 HD3 PRO 51 2HD PRO 51 37.980 20.646 4.077 129 H THR 52 HN THR 52 37.861 24.510 4.702 130 HA THR 52 HA THR 52 36.723 26.853 5.804 131 HB THR 52 HB THR 52 38.629 26.725 3.449 132 HG1 THR 52 1HG THR 52 38.990 26.458 6.234 133 HG21 THR 52 3HG2 THR 52 39.438 28.864 4.695 134 HG22 THR 52 1HG2 THR 52 37.845 28.829 5.450 135 HG23 THR 52 2HG2 THR 52 37.987 28.967 3.698 136 H LEU 53 HN LEU 53 36.621 25.641 2.450 137 HA LEU 53 HA LEU 53 35.177 27.832 1.343 138 HG LEU 53 HG LEU 53 34.762 26.077 -1.773 139 HB2 LEU 53 2HB LEU 53 36.291 25.931 0.072 140 HB3 LEU 53 1HB LEU 53 34.898 24.937 0.497 141 HD11 LEU 53 1HD1 LEU 53 32.499 26.027 -1.574 142 HD12 LEU 53 2HD1 LEU 53 32.495 27.212 -0.268 143 HD13 LEU 53 3HD1 LEU 53 32.818 25.515 0.083 144 HD21 LEU 53 3HD2 LEU 53 33.919 28.587 -0.444 145 HD22 LEU 53 1HD2 LEU 53 34.780 28.352 -1.966 146 HD23 LEU 53 2HD2 LEU 53 35.656 28.276 -0.438 147 H LEU 54 HN LEU 54 34.010 24.767 2.760 148 HA LEU 54 HA LEU 54 31.229 25.304 2.377 149 HG LEU 54 HG LEU 54 32.718 23.093 1.903 150 HB2 LEU 54 2HB LEU 54 32.679 23.624 4.442 151 HB3 LEU 54 1HB LEU 54 30.924 23.648 4.264 152 HD11 LEU 54 1HD1 LEU 54 32.904 20.846 2.425 153 HD12 LEU 54 2HD1 LEU 54 31.463 20.855 3.441 154 HD13 LEU 54 3HD1 LEU 54 32.973 21.535 4.047 155 HD21 LEU 54 3HD2 LEU 54 30.322 21.624 1.834 156 HD22 LEU 54 1HD2 LEU 54 30.697 23.074 0.902 157 HD23 LEU 54 2HD2 LEU 54 29.871 23.212 2.454 158 H ARG 55 HN ARG 55 33.352 25.878 5.197 159 HA ARG 55 HA ARG 55 31.497 26.956 6.980 160 HE ARG 55 HE ARG 55 35.805 24.511 8.636 161 HB2 ARG 55 2HB ARG 55 34.348 27.821 6.426 162 HB3 ARG 55 1HB ARG 55 33.406 28.399 7.801 163 HG2 ARG 55 2HG ARG 55 33.081 26.045 8.535 164 HG3 ARG 55 1HG ARG 55 34.090 25.506 7.192 165 HD2 ARG 55 2HD ARG 55 35.911 27.032 8.114 166 HD3 ARG 55 1HD ARG 55 34.910 27.211 9.555 167 HH11 ARG 55 1HH1 ARG 55 34.374 26.209 11.126 168 HH12 ARG 55 2HH1 ARG 55 35.388 25.586 12.384 169 HH21 ARG 55 1HH2 ARG 55 37.588 24.030 10.201 170 HH22 ARG 55 2HH2 ARG 55 37.209 24.352 11.860 171 H GLY 56 HN GLY 56 33.067 28.558 4.224 172 HA2 GLY 56 2HA GLY 56 31.929 31.157 4.750 173 HA3 GLY 56 1HA GLY 56 32.614 30.631 3.212 174 H ALA 57 HN ALA 57 30.858 28.324 2.930 175 HA ALA 57 HA ALA 57 28.604 29.643 1.684 176 HB1 ALA 57 1HB ALA 57 27.805 27.278 1.307 177 HB2 ALA 57 2HB ALA 57 29.202 26.721 2.228 178 HB3 ALA 57 3HB ALA 57 29.436 27.590 0.712 179 H PHE 58 HN PHE 58 29.186 28.219 4.811 180 HA PHE 58 HA PHE 58 26.290 28.599 5.473 181 HD1 PHE 58 HD1 PHE 58 28.691 25.865 4.360 182 HD2 PHE 58 HD2 PHE 58 24.842 25.874 6.265 183 HE1 PHE 58 HE1 PHE 58 27.865 24.218 2.700 184 HE2 PHE 58 HE2 PHE 58 24.015 24.228 4.605 185 HZ PHE 58 HZ PHE 58 25.527 23.400 2.823 186 HB2 PHE 58 2HB PHE 58 28.336 26.730 6.710 187 HB3 PHE 58 1HB PHE 58 26.692 26.952 7.309 188 H SER 59 HN SER 59 29.018 30.245 5.660 189 HA SER 59 HA SER 59 29.209 30.826 8.502 190 HG SER 59 HG SER 59 31.448 33.453 7.569 191 HB2 SER 59 2HB SER 59 31.218 31.298 7.468 192 HB3 SER 59 1HB SER 59 30.443 31.883 5.996 193 HA PRO 60 HA PRO 60 26.964 34.938 7.188 194 HB2 PRO 60 2HB PRO 60 25.700 34.946 4.799 195 HB3 PRO 60 1HB PRO 60 27.373 35.468 5.008 196 HG2 PRO 60 2HG PRO 60 26.311 32.846 4.029 197 HG3 PRO 60 1HG PRO 60 27.652 33.807 3.398 198 HD2 PRO 60 2HD PRO 60 28.048 31.652 4.974 199 HD3 PRO 60 1HD PRO 60 29.124 33.048 5.013 200 H PHE 61 HN PHE 61 25.513 31.903 6.022 201 HA PHE 61 HA PHE 61 22.791 32.660 6.484 202 HD1 PHE 61 HD1 PHE 61 21.150 31.312 4.751 203 HD2 PHE 61 HD2 PHE 61 25.282 30.197 4.403 204 HE1 PHE 61 HE1 PHE 61 21.006 31.548 2.286 205 HE2 PHE 61 HE2 PHE 61 25.140 30.431 1.938 206 HZ PHE 61 HZ PHE 61 23.001 31.107 0.880 207 HB2 PHE 61 2HB PHE 61 24.147 29.951 6.485 208 HB3 PHE 61 1HB PHE 61 22.400 30.164 6.612 209 H GLY 62 HN GLY 62 25.267 31.258 8.600 210 HA2 GLY 62 1HA GLY 62 24.084 32.308 10.973 211 HA3 GLY 62 2HA GLY 62 23.599 30.622 10.810 212 H ASN 63 HN ASN 63 24.968 30.678 12.931 213 HA ASN 63 HA ASN 63 27.880 30.536 12.364 214 HB2 ASN 63 2HB ASN 63 26.982 31.806 14.364 215 HB3 ASN 63 1HB ASN 63 26.475 30.256 15.034 216 HD21 ASN 63 1HD2 ASN 63 28.224 31.291 16.695 217 HD22 ASN 63 2HD2 ASN 63 29.809 30.725 16.472 218 H ILE 64 HN ILE 64 28.989 28.604 12.398 219 HA ILE 64 HA ILE 64 27.341 26.146 12.683 220 HB ILE 64 HB ILE 64 30.147 26.491 11.582 221 HG12 ILE 64 2HG1 ILE 64 27.624 25.971 10.007 222 HG13 ILE 64 1HG1 ILE 64 28.170 27.613 10.351 223 HG21 ILE 64 1HG2 ILE 64 29.379 24.215 12.522 224 HG22 ILE 64 2HG2 ILE 64 29.988 24.234 10.867 225 HG23 ILE 64 3HG2 ILE 64 28.251 24.178 11.167 226 HD11 ILE 64 3HD1 ILE 64 30.451 26.199 9.460 227 HD12 ILE 64 1HD1 ILE 64 29.571 27.459 8.595 228 HD13 ILE 64 2HD1 ILE 64 29.144 25.764 8.359 229 H ILE 65 HN ILE 65 27.624 24.794 14.402 230 HA ILE 65 HA ILE 65 29.704 25.524 16.389 231 HB ILE 65 HB ILE 65 28.428 24.240 17.966 232 HG12 ILE 65 2HG1 ILE 65 26.827 23.241 15.590 233 HG13 ILE 65 1HG1 ILE 65 28.020 22.296 16.480 234 HG21 ILE 65 1HG2 ILE 65 26.197 25.351 16.311 235 HG22 ILE 65 2HG2 ILE 65 27.458 26.457 16.854 236 HG23 ILE 65 3HG2 ILE 65 26.517 25.545 18.035 237 HD11 ILE 65 3HD1 ILE 65 25.387 23.389 17.497 238 HD12 ILE 65 1HD1 ILE 65 26.642 22.778 18.575 239 HD13 ILE 65 2HD1 ILE 65 25.889 21.701 17.398 240 H ASP 66 HN ASP 66 29.014 23.133 13.997 241 HA ASP 66 HA ASP 66 31.524 21.749 14.684 242 HB2 ASP 66 2HB ASP 66 29.762 20.567 15.998 243 HB3 ASP 66 1HB ASP 66 28.904 20.232 14.494 244 H LEU 67 HN LEU 67 32.479 22.040 12.704 245 HA LEU 67 HA LEU 67 30.858 21.545 10.258 246 HG LEU 67 HG LEU 67 32.975 23.628 8.217 247 HB2 LEU 67 2HB LEU 67 32.412 23.616 10.643 248 HB3 LEU 67 1HB LEU 67 33.715 22.492 10.256 249 HD11 LEU 67 1HD1 LEU 67 32.827 21.723 6.874 250 HD12 LEU 67 2HD1 LEU 67 31.773 20.883 8.011 251 HD13 LEU 67 3HD1 LEU 67 33.492 21.054 8.365 252 HD21 LEU 67 3HD2 LEU 67 30.706 23.532 7.437 253 HD22 LEU 67 1HD2 LEU 67 30.635 24.045 9.122 254 HD23 LEU 67 2HD2 LEU 67 30.259 22.377 8.692 255 H SER 68 HN SER 68 30.987 19.542 9.374 256 HA SER 68 HA SER 68 33.570 18.064 9.635 257 HG SER 68 HG SER 68 32.984 17.109 11.744 258 HB2 SER 68 2HB SER 68 30.777 16.927 9.973 259 HB3 SER 68 1HB SER 68 32.256 15.967 9.915 260 H MET 69 HN MET 69 34.040 16.658 7.857 261 HA MET 69 HA MET 69 32.239 16.959 5.491 262 HB2 MET 69 2HB MET 69 35.258 17.239 5.573 263 HB3 MET 69 1HB MET 69 34.324 17.093 4.084 264 HG2 MET 69 2HG MET 69 32.937 19.087 5.118 265 HG3 MET 69 1HG MET 69 34.405 19.352 6.058 266 HE1 MET 69 3HE MET 69 37.050 19.305 3.098 267 HE2 MET 69 1HE MET 69 36.197 17.813 3.521 268 HE3 MET 69 2HE MET 69 36.755 18.903 4.789 269 H ASP 70 HN ASP 70 32.114 15.107 4.172 270 HA ASP 70 HA ASP 70 33.571 12.709 5.215 271 HB2 ASP 70 2HB ASP 70 30.824 13.114 5.126 272 HB3 ASP 70 1HB ASP 70 31.141 12.150 3.683 273 HA PRO 71 HA PRO 71 35.102 13.082 0.952 274 HB2 PRO 71 2HB PRO 71 37.362 11.669 1.366 275 HB3 PRO 71 1HB PRO 71 37.197 13.380 1.760 276 HG2 PRO 71 2HG PRO 71 37.145 11.009 3.551 277 HG3 PRO 71 1HG PRO 71 37.775 12.627 3.853 278 HD2 PRO 71 2HD PRO 71 35.345 11.696 4.787 279 HD3 PRO 71 1HD PRO 71 35.765 13.397 4.603 280 HA PRO 72 HA PRO 72 35.037 8.235 0.646 281 HB2 PRO 72 2HB PRO 72 33.617 6.918 2.518 282 HB3 PRO 72 1HB PRO 72 35.346 7.229 2.675 283 HG2 PRO 72 2HG PRO 72 33.042 8.622 3.952 284 HG3 PRO 72 1HG PRO 72 34.625 8.230 4.627 285 HD2 PRO 72 1HD PRO 72 33.920 10.712 3.718 286 HD3 PRO 72 2HD PRO 72 35.579 10.132 3.797 287 H ARG 73 HN ARG 73 32.315 10.080 1.889 288 HA ARG 73 HA ARG 73 30.520 8.596 0.014 289 HE ARG 73 HE ARG 73 28.249 5.977 4.339 290 HB2 ARG 73 2HB ARG 73 29.882 10.217 2.496 291 HB3 ARG 73 1HB ARG 73 28.662 9.548 1.411 292 HG2 ARG 73 2HG ARG 73 29.714 7.274 1.794 293 HG3 ARG 73 1HG ARG 73 30.699 8.018 3.053 294 HD2 ARG 73 2HD ARG 73 28.535 8.826 4.112 295 HD3 ARG 73 1HD ARG 73 27.680 7.794 2.965 296 HH11 ARG 73 1HH1 ARG 73 28.957 8.003 6.519 297 HH12 ARG 73 2HH1 ARG 73 30.544 7.469 6.962 298 HH21 ARG 73 1HH2 ARG 73 30.968 5.519 4.126 299 HH22 ARG 73 2HH2 ARG 73 31.682 6.063 5.607 300 H ASN 74 HN ASN 74 32.393 11.183 -0.100 301 HA ASN 74 HA ASN 74 32.318 13.240 -1.231 302 HB2 ASN 74 2HB ASN 74 30.051 11.793 -2.636 303 HB3 ASN 74 1HB ASN 74 30.804 13.281 -3.210 304 HD21 ASN 74 1HD2 ASN 74 30.895 10.873 -4.765 305 HD22 ASN 74 2HD2 ASN 74 32.504 10.337 -4.826 306 H CYS 75 HN CYS 75 30.837 13.071 1.252 307 HA CYS 75 HA CYS 75 28.901 15.263 0.730 308 HG CYS 75 HG CYS 75 29.040 12.804 3.609 309 HB2 CYS 75 2HB CYS 75 27.192 14.240 2.119 310 HB3 CYS 75 1HB CYS 75 27.634 13.098 0.849 311 H ALA 76 HN ALA 76 28.727 16.723 2.481 312 HA ALA 76 HA ALA 76 30.698 16.250 4.679 313 HB1 ALA 76 1HB ALA 76 31.523 18.143 3.610 314 HB2 ALA 76 2HB ALA 76 30.460 18.881 4.808 315 HB3 ALA 76 3HB ALA 76 29.918 18.703 3.140 316 H PHE 77 HN PHE 77 30.087 17.277 6.779 317 HA PHE 77 HA PHE 77 27.121 17.443 7.120 318 HD1 PHE 77 HD1 PHE 77 25.612 15.298 8.086 319 HD2 PHE 77 HD2 PHE 77 29.733 14.332 7.359 320 HE1 PHE 77 HE1 PHE 77 24.918 13.248 6.876 321 HE2 PHE 77 HE2 PHE 77 29.039 12.282 6.148 322 HZ PHE 77 HZ PHE 77 26.631 11.740 5.907 323 HB2 PHE 77 2HB PHE 77 29.147 16.068 8.909 324 HB3 PHE 77 1HB PHE 77 27.470 16.367 9.366 325 H VAL 78 HN VAL 78 26.785 19.578 7.566 326 HA VAL 78 HA VAL 78 28.701 20.934 9.405 327 HB VAL 78 HB VAL 78 28.516 22.032 7.244 328 HG11 VAL 78 1HG1 VAL 78 26.236 22.953 6.608 329 HG12 VAL 78 2HG1 VAL 78 25.564 21.911 7.863 330 HG13 VAL 78 3HG1 VAL 78 26.405 21.202 6.487 331 HG21 VAL 78 3HG2 VAL 78 28.051 24.224 8.011 332 HG22 VAL 78 1HG2 VAL 78 28.515 23.356 9.475 333 HG23 VAL 78 2HG2 VAL 78 26.811 23.660 9.132 334 H THR 79 HN THR 79 27.945 21.701 11.352 335 HA THR 79 HA THR 79 25.046 21.257 11.906 336 HB THR 79 HB THR 79 27.351 21.547 13.858 337 HG1 THR 79 1HG THR 79 25.884 19.204 13.398 338 HG21 THR 79 3HG2 THR 79 24.570 21.837 14.212 339 HG22 THR 79 1HG2 THR 79 25.790 21.659 15.473 340 HG23 THR 79 2HG2 THR 79 24.969 20.234 14.837 341 H TYR 80 HN TYR 80 23.790 23.026 12.258 342 HA TYR 80 HA TYR 80 25.124 25.671 12.361 343 HD1 TYR 80 HD1 TYR 80 24.884 27.532 11.600 344 HD2 TYR 80 HD2 TYR 80 22.351 25.031 9.197 345 HE1 TYR 80 HE1 TYR 80 25.710 28.663 9.553 346 HE2 TYR 80 HE2 TYR 80 23.177 26.161 7.150 347 HH TYR 80 HH TYR 80 25.446 28.893 7.348 348 HB2 TYR 80 2HB TYR 80 22.491 24.647 11.497 349 HB3 TYR 80 1HB TYR 80 22.439 26.198 12.335 350 H GLU 81 HN GLU 81 23.869 27.299 13.846 351 HA GLU 81 HA GLU 81 23.914 26.151 16.557 352 HB2 GLU 81 2HB GLU 81 24.990 28.358 16.026 353 HB3 GLU 81 1HB GLU 81 23.385 29.011 15.696 354 HG2 GLU 81 2HG GLU 81 22.704 28.334 18.019 355 HG3 GLU 81 1HG GLU 81 24.380 27.877 18.326 356 H LYS 82 HN LYS 82 21.616 26.753 14.138 357 HA LYS 82 HA LYS 82 19.429 26.067 15.964 358 HB2 LYS 82 2HB LYS 82 19.447 28.725 14.497 359 HB3 LYS 82 1HB LYS 82 18.066 28.054 15.365 360 HG2 LYS 82 2HG LYS 82 19.428 28.028 17.449 361 HG3 LYS 82 1HG LYS 82 20.756 28.780 16.566 362 HD2 LYS 82 2HD LYS 82 19.303 30.712 16.038 363 HD3 LYS 82 1HD LYS 82 17.987 29.963 16.943 364 HE2 LYS 82 2HE LYS 82 18.872 31.305 18.605 365 HE3 LYS 82 1HE LYS 82 19.851 29.859 18.851 366 HZ1 LYS 82 3HZ LYS 82 21.684 30.859 18.067 367 HZ2 LYS 82 1HZ LYS 82 20.867 32.292 18.457 368 HZ3 LYS 82 2HZ LYS 82 20.847 31.714 16.860 369 H MET 83 HN MET 83 17.443 25.568 14.734 370 HA MET 83 HA MET 83 18.050 24.309 12.199 371 HB2 MET 83 2HB MET 83 15.332 24.850 13.430 372 HB3 MET 83 1HB MET 83 15.707 23.654 12.190 373 HG2 MET 83 2HG MET 83 16.992 22.337 13.701 374 HG3 MET 83 1HG MET 83 17.066 23.637 14.890 375 HE1 MET 83 3HE MET 83 14.912 20.534 16.237 376 HE2 MET 83 1HE MET 83 16.330 21.531 16.591 377 HE3 MET 83 2HE MET 83 16.276 20.559 15.123 378 H GLU 84 HN GLU 84 17.223 27.485 13.071 379 HA GLU 84 HA GLU 84 15.738 28.177 10.664 380 HB2 GLU 84 2HB GLU 84 17.137 29.872 12.753 381 HB3 GLU 84 1HB GLU 84 16.177 30.535 11.430 382 HG2 GLU 84 2HG GLU 84 15.186 28.630 13.574 383 HG3 GLU 84 1HG GLU 84 14.800 30.347 13.452 384 H SER 85 HN SER 85 19.120 28.456 11.730 385 HA SER 85 HA SER 85 20.039 29.917 9.436 386 HG SER 85 HG SER 85 22.505 29.862 9.406 387 HB2 SER 85 2HB SER 85 21.426 29.800 11.421 388 HB3 SER 85 1HB SER 85 21.488 28.040 11.325 389 H ALA 86 HN ALA 86 19.620 26.472 10.093 390 HA ALA 86 HA ALA 86 20.961 25.582 7.687 391 HB1 ALA 86 1HB ALA 86 20.813 23.867 9.240 392 HB2 ALA 86 2HB ALA 86 19.423 23.484 8.223 393 HB3 ALA 86 3HB ALA 86 19.190 24.330 9.752 394 H ASP 87 HN ASP 87 17.614 26.399 8.510 395 HA ASP 87 HA ASP 87 16.430 25.404 6.094 396 HB2 ASP 87 2HB ASP 87 15.151 26.051 8.146 397 HB3 ASP 87 1HB ASP 87 15.501 27.742 7.787 398 H GLN 88 HN GLN 88 17.714 28.618 6.967 399 HA GLN 88 HA GLN 88 17.067 29.786 4.396 400 HB2 GLN 88 2HB GLN 88 17.402 31.142 6.451 401 HB3 GLN 88 1HB GLN 88 19.106 30.686 6.453 402 HG2 GLN 88 2HG GLN 88 19.378 31.713 4.221 403 HG3 GLN 88 1HG GLN 88 17.678 32.179 4.229 404 HE21 GLN 88 1HE2 GLN 88 19.324 34.314 3.992 405 HE22 GLN 88 2HE2 GLN 88 19.497 35.151 5.459 406 H ALA 89 HN ALA 89 19.975 28.287 5.781 407 HA ALA 89 HA ALA 89 21.628 28.884 3.472 408 HB1 ALA 89 1HB ALA 89 21.998 27.755 6.062 409 HB2 ALA 89 2HB ALA 89 23.237 28.220 4.895 410 HB3 ALA 89 3HB ALA 89 22.586 26.580 4.885 411 H VAL 90 HN VAL 90 19.797 26.027 4.557 412 HA VAL 90 HA VAL 90 20.635 24.280 2.461 413 HB VAL 90 HB VAL 90 18.097 24.386 4.109 414 HG11 VAL 90 1HG1 VAL 90 17.602 23.277 1.979 415 HG12 VAL 90 2HG1 VAL 90 17.689 22.079 3.271 416 HG13 VAL 90 3HG1 VAL 90 19.038 22.268 2.151 417 HG21 VAL 90 3HG2 VAL 90 19.749 22.068 4.473 418 HG22 VAL 90 1HG2 VAL 90 19.355 23.327 5.644 419 HG23 VAL 90 2HG2 VAL 90 20.761 23.508 4.595 420 H ALA 91 HN ALA 91 18.102 26.743 2.604 421 HA ALA 91 HA ALA 91 16.921 25.980 0.055 422 HB1 ALA 91 1HB ALA 91 15.981 27.436 2.098 423 HB2 ALA 91 2HB ALA 91 15.400 27.666 0.449 424 HB3 ALA 91 3HB ALA 91 16.618 28.754 1.113 425 H GLU 92 HN GLU 92 18.928 28.769 1.080 426 HA GLU 92 HA GLU 92 19.316 29.714 -1.616 427 HB2 GLU 92 2HB GLU 92 20.943 30.228 0.892 428 HB3 GLU 92 1HB GLU 92 21.076 31.141 -0.611 429 HG2 GLU 92 2HG GLU 92 18.590 30.899 1.112 430 HG3 GLU 92 1HG GLU 92 19.616 32.326 0.969 431 H LEU 93 HN LEU 93 21.339 27.756 0.580 432 HA LEU 93 HA LEU 93 23.548 27.515 -1.236 433 HG LEU 93 HG LEU 93 23.039 28.004 1.646 434 HB2 LEU 93 2HB LEU 93 22.663 25.606 0.949 435 HB3 LEU 93 1HB LEU 93 24.254 25.639 0.190 436 HD11 LEU 93 1HD1 LEU 93 25.233 26.205 2.681 437 HD12 LEU 93 2HD1 LEU 93 23.536 25.902 3.055 438 HD13 LEU 93 3HD1 LEU 93 24.296 27.408 3.568 439 HD21 LEU 93 3HD2 LEU 93 25.391 27.572 -0.004 440 HD22 LEU 93 1HD2 LEU 93 25.843 28.103 1.615 441 HD23 LEU 93 2HD2 LEU 93 24.746 29.081 0.640 442 H ASN 94 HN ASN 94 20.598 25.604 -0.780 443 HA ASN 94 HA ASN 94 21.397 23.508 -2.617 444 HB2 ASN 94 2HB ASN 94 19.651 23.215 -0.851 445 HB3 ASN 94 1HB ASN 94 18.604 24.308 -1.755 446 HD21 ASN 94 1HD2 ASN 94 17.515 21.845 -1.470 447 HD22 ASN 94 2HD2 ASN 94 17.664 20.916 -2.883 448 H GLY 95 HN GLY 95 21.409 23.637 -4.808 449 HA2 GLY 95 2HA GLY 95 20.422 24.172 -6.943 450 HA3 GLY 95 1HA GLY 95 19.479 25.439 -6.159 451 H THR 96 HN THR 96 22.894 25.107 -5.494 452 HA THR 96 HA THR 96 23.386 27.558 -7.142 453 HB THR 96 HB THR 96 24.833 28.403 -5.445 454 HG1 THR 96 1HG THR 96 24.469 26.072 -3.914 455 HG21 THR 96 3HG2 THR 96 22.144 27.550 -4.775 456 HG22 THR 96 1HG2 THR 96 22.974 29.049 -4.355 457 HG23 THR 96 2HG2 THR 96 23.158 27.624 -3.334 458 H GLN 97 HN GLN 97 25.551 27.716 -8.049 459 HA GLN 97 HA GLN 97 27.012 25.109 -8.132 460 HB2 GLN 97 2HB GLN 97 25.704 25.467 -10.220 461 HB3 GLN 97 1HB GLN 97 26.559 26.990 -10.469 462 HG2 GLN 97 2HG GLN 97 28.707 25.769 -10.537 463 HG3 GLN 97 1HG GLN 97 27.849 24.248 -10.296 464 HE21 GLN 97 1HE2 GLN 97 29.305 24.354 -12.613 465 HE22 GLN 97 2HE2 GLN 97 28.301 24.590 -13.961 466 H VAL 98 HN VAL 98 29.314 25.315 -8.462 467 HA VAL 98 HA VAL 98 30.349 27.950 -7.553 468 HB VAL 98 HB VAL 98 32.127 25.565 -7.862 469 HG11 VAL 98 1HG1 VAL 98 31.956 27.232 -5.402 470 HG12 VAL 98 2HG1 VAL 98 32.504 28.045 -6.869 471 HG13 VAL 98 3HG1 VAL 98 33.377 26.637 -6.261 472 HG21 VAL 98 3HG2 VAL 98 29.741 25.731 -6.082 473 HG22 VAL 98 1HG2 VAL 98 31.233 25.125 -5.364 474 HG23 VAL 98 2HG2 VAL 98 30.537 24.313 -6.766 475 H GLU 99 HN GLU 99 33.041 27.366 -8.605 476 HA GLU 99 HA GLU 99 32.864 28.704 -11.109 477 HB2 GLU 99 2HB GLU 99 35.080 26.953 -10.003 478 HB3 GLU 99 1HB GLU 99 35.244 28.017 -11.399 479 HG2 GLU 99 2HG GLU 99 34.464 28.920 -8.610 480 HG3 GLU 99 1HG GLU 99 36.073 29.085 -9.311 481 H SER 100 HN SER 100 33.080 25.249 -10.317 482 HA SER 100 HA SER 100 31.923 24.592 -12.931 483 HG SER 100 HG SER 100 34.325 24.145 -14.809 484 HB2 SER 100 2HB SER 100 34.669 24.715 -12.830 485 HB3 SER 100 1HB SER 100 34.368 23.017 -12.460 486 H VAL 101 HN VAL 101 31.450 24.253 -9.954 487 HA VAL 101 HA VAL 101 30.924 21.322 -10.076 488 HB VAL 101 HB VAL 101 32.020 22.777 -7.650 489 HG11 VAL 101 1HG1 VAL 101 30.961 20.025 -8.174 490 HG12 VAL 101 2HG1 VAL 101 30.776 21.041 -6.745 491 HG13 VAL 101 3HG1 VAL 101 32.300 20.206 -7.042 492 HG21 VAL 101 3HG2 VAL 101 33.890 20.959 -8.171 493 HG22 VAL 101 1HG2 VAL 101 33.916 22.535 -8.962 494 HG23 VAL 101 2HG2 VAL 101 33.274 21.131 -9.814 495 H GLN 102 HN GLN 102 29.067 20.678 -8.825 496 HA GLN 102 HA GLN 102 27.263 22.970 -8.176 497 HB2 GLN 102 2HB GLN 102 26.595 20.092 -8.872 498 HB3 GLN 102 1HB GLN 102 25.415 21.350 -8.506 499 HG2 GLN 102 2HG GLN 102 26.191 22.668 -10.423 500 HG3 GLN 102 1HG GLN 102 27.430 21.463 -10.772 501 HE21 GLN 102 1HE2 GLN 102 25.472 22.072 -12.735 502 HE22 GLN 102 2HE2 GLN 102 24.436 20.738 -12.915 503 H LEU 103 HN LEU 103 26.192 22.989 -6.167 504 HA LEU 103 HA LEU 103 27.241 21.015 -4.181 505 HG LEU 103 HG LEU 103 28.483 23.622 -4.852 506 HB2 LEU 103 2HB LEU 103 26.238 23.847 -3.760 507 HB3 LEU 103 1HB LEU 103 26.793 22.766 -2.481 508 HD11 LEU 103 1HD1 LEU 103 29.602 25.141 -3.356 509 HD12 LEU 103 2HD1 LEU 103 28.694 24.534 -1.971 510 HD13 LEU 103 3HD1 LEU 103 27.874 25.468 -3.221 511 HD21 LEU 103 3HD2 LEU 103 28.730 21.548 -2.880 512 HD22 LEU 103 1HD2 LEU 103 29.989 22.751 -2.601 513 HD23 LEU 103 2HD2 LEU 103 29.851 21.969 -4.176 514 H LYS 104 HN LYS 104 25.754 20.018 -2.776 515 HA LYS 104 HA LYS 104 22.868 20.564 -3.345 516 HB2 LYS 104 2HB LYS 104 24.207 17.871 -2.939 517 HB3 LYS 104 1HB LYS 104 22.466 18.120 -3.063 518 HG2 LYS 104 2HG LYS 104 22.809 19.138 -5.315 519 HG3 LYS 104 1HG LYS 104 24.530 18.770 -5.190 520 HD2 LYS 104 2HD LYS 104 23.942 16.354 -4.902 521 HD3 LYS 104 1HD LYS 104 22.250 16.770 -5.175 522 HE2 LYS 104 2HE LYS 104 23.451 17.983 -7.316 523 HE3 LYS 104 1HE LYS 104 24.476 16.564 -7.106 524 HZ1 LYS 104 3HZ LYS 104 21.632 16.723 -7.782 525 HZ2 LYS 104 1HZ LYS 104 22.160 15.393 -6.870 526 HZ3 LYS 104 2HZ LYS 104 22.836 15.696 -8.399 527 H VAL 105 HN VAL 105 21.639 20.850 -1.524 528 HA VAL 105 HA VAL 105 22.932 20.197 1.094 529 HB VAL 105 HB VAL 105 20.885 22.366 0.555 530 HG11 VAL 105 1HG1 VAL 105 22.430 21.400 2.933 531 HG12 VAL 105 2HG1 VAL 105 20.756 21.947 2.835 532 HG13 VAL 105 3HG1 VAL 105 22.070 23.122 2.806 533 HG21 VAL 105 3HG2 VAL 105 23.876 22.333 0.431 534 HG22 VAL 105 1HG2 VAL 105 23.083 23.765 1.089 535 HG23 VAL 105 2HG2 VAL 105 22.726 23.236 -0.556 536 H ASN 106 HN ASN 106 21.788 18.881 2.456 537 HA ASN 106 HA ASN 106 18.886 18.474 1.917 538 HB2 ASN 106 2HB ASN 106 20.914 16.254 2.313 539 HB3 ASN 106 1HB ASN 106 19.173 16.033 2.163 540 HD21 ASN 106 1HD2 ASN 106 18.880 18.131 0.080 541 HD22 ASN 106 2HD2 ASN 106 19.558 17.486 -1.332 542 H ILE 107 HN ILE 107 18.242 16.703 3.845 543 HA ILE 107 HA ILE 107 19.089 18.112 6.335 544 HB ILE 107 HB ILE 107 16.676 16.328 5.892 545 HG12 ILE 107 2HG1 ILE 107 16.396 18.258 4.491 546 HG13 ILE 107 1HG1 ILE 107 15.449 18.554 5.949 547 HG21 ILE 107 1HG2 ILE 107 17.670 16.724 8.248 548 HG22 ILE 107 2HG2 ILE 107 15.952 17.055 8.026 549 HG23 ILE 107 3HG2 ILE 107 17.110 18.385 8.058 550 HD11 ILE 107 3HD1 ILE 107 18.253 19.588 5.428 551 HD12 ILE 107 1HD1 ILE 107 17.307 19.884 6.887 552 HD13 ILE 107 2HD1 ILE 107 16.775 20.546 5.341 553 H ALA 108 HN ALA 108 20.355 17.008 7.750 554 HA ALA 108 HA ALA 108 20.635 14.062 7.350 555 HB1 ALA 108 1HB ALA 108 22.505 15.785 8.974 556 HB2 ALA 108 2HB ALA 108 22.655 15.685 7.220 557 HB3 ALA 108 3HB ALA 108 22.831 14.232 8.203 558 H ARG 109 HN ARG 109 21.059 12.827 9.437 559 HA ARG 109 HA ARG 109 18.902 13.019 11.218 560 HE ARG 109 HE ARG 109 22.556 9.900 12.359 561 HB2 ARG 109 2HB ARG 109 21.688 11.924 11.711 562 HB3 ARG 109 1HB ARG 109 20.314 11.654 12.783 563 HG2 ARG 109 2HG ARG 109 19.071 10.654 10.853 564 HG3 ARG 109 1HG ARG 109 20.531 10.816 9.876 565 HD2 ARG 109 2HD ARG 109 20.235 9.185 12.416 566 HD3 ARG 109 1HD ARG 109 20.423 8.552 10.781 567 HH11 ARG 109 1HH1 ARG 109 21.615 9.140 9.197 568 HH12 ARG 109 2HH1 ARG 109 23.111 8.385 8.759 569 HH21 ARG 109 1HH2 ARG 109 24.429 8.534 11.963 570 HH22 ARG 109 2HH2 ARG 109 24.705 8.043 10.324 571 H LYS 110 HN LYS 110 18.661 13.959 13.304 572 HA LYS 110 HA LYS 110 20.012 16.494 13.665 573 HB2 LYS 110 2HB LYS 110 18.114 14.907 15.410 574 HB3 LYS 110 1HB LYS 110 18.751 16.483 15.876 575 HG2 LYS 110 2HG LYS 110 17.838 17.438 13.760 576 HG3 LYS 110 1HG LYS 110 17.132 15.866 13.385 577 HD2 LYS 110 2HD LYS 110 15.964 16.019 15.662 578 HD3 LYS 110 1HD LYS 110 16.450 17.715 15.679 579 HE2 LYS 110 2HE LYS 110 15.105 18.251 13.836 580 HE3 LYS 110 1HE LYS 110 15.036 16.580 13.277 581 HZ1 LYS 110 3HZ LYS 110 13.957 17.041 15.922 582 HZ2 LYS 110 1HZ LYS 110 13.348 16.100 14.650 583 HZ3 LYS 110 2HZ LYS 110 13.091 17.779 14.660 584 H GLN 111 HN GLN 111 21.625 17.028 15.157 585 HA GLN 111 HA GLN 111 23.491 14.989 15.883 586 HB2 GLN 111 2HB GLN 111 24.527 16.797 17.288 587 HB3 GLN 111 1HB GLN 111 24.245 17.269 15.614 588 HG2 GLN 111 2HG GLN 111 21.865 17.961 16.791 589 HG3 GLN 111 1HG GLN 111 23.011 18.304 18.086 590 HE21 GLN 111 1HE2 GLN 111 22.240 19.061 14.680 591 HE22 GLN 111 2HE2 GLN 111 23.127 20.507 14.629 592 HA PRO 112 HA PRO 112 21.705 13.428 19.623 593 HB2 PRO 112 2HB PRO 112 23.903 12.352 20.750 594 HB3 PRO 112 1HB PRO 112 23.092 11.639 19.355 595 HG2 PRO 112 2HG PRO 112 25.574 13.291 19.468 596 HG3 PRO 112 1HG PRO 112 25.210 11.893 18.455 597 HD2 PRO 112 1HD PRO 112 25.092 14.484 17.571 598 HD3 PRO 112 2HD PRO 112 24.156 13.166 16.869 599 H MET 113 HN MET 113 24.184 15.865 19.710 600 HA MET 113 HA MET 113 24.501 16.074 22.545 601 HB2 MET 113 2HB MET 113 24.557 18.388 20.594 602 HB3 MET 113 1HB MET 113 25.379 18.281 22.148 603 HG2 MET 113 2HG MET 113 27.009 16.843 21.348 604 HG3 MET 113 1HG MET 113 25.962 16.183 20.092 605 HE1 MET 113 3HE MET 113 24.679 17.866 18.800 606 HE2 MET 113 1HE MET 113 25.642 18.402 17.415 607 HE3 MET 113 2HE MET 113 25.119 19.565 18.631 608 H LEU 114 HN LEU 114 21.836 16.765 20.512 609 HA LEU 114 HA LEU 114 20.076 17.377 22.662 610 HG LEU 114 HG LEU 114 18.642 19.175 22.710 611 HB2 LEU 114 2HB LEU 114 21.457 19.474 22.719 612 HB3 LEU 114 1HB LEU 114 20.929 19.807 21.071 613 HD11 LEU 114 1HD1 LEU 114 19.428 20.024 24.684 614 HD12 LEU 114 2HD1 LEU 114 19.053 21.567 23.918 615 HD13 LEU 114 3HD1 LEU 114 20.704 20.950 23.894 616 HD21 LEU 114 3HD2 LEU 114 18.427 21.816 22.034 617 HD22 LEU 114 1HD2 LEU 114 18.033 20.486 20.946 618 HD23 LEU 114 2HD2 LEU 114 19.614 21.261 20.853 619 H ASP 115 HN ASP 115 20.243 15.931 20.082 620 HA ASP 115 HA ASP 115 18.919 15.533 18.178 621 HB2 ASP 115 2HB ASP 115 16.880 16.914 19.955 622 HB3 ASP 115 1HB ASP 115 16.496 15.972 18.514 623 H ALA 116 HN ALA 116 20.518 17.875 18.080 624 HA ALA 116 HA ALA 116 20.754 19.658 16.547 625 HB1 ALA 116 1HB ALA 116 18.458 18.312 15.606 626 HB2 ALA 116 2HB ALA 116 19.397 19.540 14.756 627 HB3 ALA 116 3HB ALA 116 18.005 20.012 15.732 628 H ALA 117 HN ALA 117 17.352 20.159 17.470 629 HA ALA 117 HA ALA 117 18.039 22.036 19.576 630 HB1 ALA 117 1HB ALA 117 16.640 23.394 17.324 631 HB2 ALA 117 2HB ALA 117 18.376 23.129 17.148 632 HB3 ALA 117 3HB ALA 117 17.760 24.057 18.516 633 H THR 118 HN THR 118 16.134 22.803 20.680 634 HA THR 118 HA THR 118 13.560 21.637 19.719 635 HB THR 118 HB THR 118 13.053 20.730 21.863 636 HG1 THR 118 1HG THR 118 15.432 21.600 23.014 637 HG21 THR 118 3HG2 THR 118 15.847 19.946 22.107 638 HG22 THR 118 1HG2 THR 118 15.298 19.899 20.432 639 HG23 THR 118 2HG2 THR 118 14.447 18.970 21.666 640 H GLY 119 HN GLY 119 11.682 22.635 21.019 641 HA2 GLY 119 2HA GLY 119 10.728 24.515 22.173 642 HA3 GLY 119 1HA GLY 119 12.290 25.330 22.084 643 H LYS 120 HN LYS 120 11.514 23.924 19.116 644 HA LYS 120 HA LYS 120 11.171 26.516 17.859 645 HB2 LYS 120 2HB LYS 120 12.274 24.526 16.772 646 HB3 LYS 120 1HB LYS 120 10.680 23.779 16.651 647 HG2 LYS 120 2HG LYS 120 9.888 25.747 15.350 648 HG3 LYS 120 1HG LYS 120 11.515 26.423 15.419 649 HD2 LYS 120 2HD LYS 120 12.363 24.339 14.306 650 HD3 LYS 120 1HD LYS 120 10.690 23.810 14.119 651 HE2 LYS 120 2HE LYS 120 11.223 26.562 13.186 652 HE3 LYS 120 1HE LYS 120 12.045 25.302 12.266 653 HZ1 LYS 120 3HZ LYS 120 9.240 25.935 12.414 654 HZ2 LYS 120 1HZ LYS 120 9.571 24.281 12.591 655 HZ3 LYS 120 2HZ LYS 120 10.106 25.110 11.209 656 H SER 121 HN SER 121 9.275 27.537 17.341 657 HA SER 121 HA SER 121 6.743 26.013 17.814 658 HG SER 121 HG SER 121 7.218 26.992 20.075 659 HB2 SER 121 2HB SER 121 7.618 28.737 18.630 660 HB3 SER 121 1HB SER 121 5.944 28.576 18.097 Start of MODEL 15 1 H ALA 35 HN ALA 35 28.728 28.903 26.397 2 HA ALA 35 HA ALA 35 28.473 27.525 24.369 3 HB1 ALA 35 1HB ALA 35 29.244 25.466 25.135 4 HB2 ALA 35 2HB ALA 35 28.163 25.466 26.529 5 HB3 ALA 35 3HB ALA 35 29.598 26.492 26.526 6 HA PRO 36 HA PRO 36 23.977 26.919 24.030 7 HB2 PRO 36 2HB PRO 36 23.985 26.687 21.337 8 HB3 PRO 36 1HB PRO 36 24.038 28.245 22.167 9 HG2 PRO 36 2HG PRO 36 26.276 26.662 20.957 10 HG3 PRO 36 1HG PRO 36 25.964 28.399 20.861 11 HD2 PRO 36 2HD PRO 36 27.792 27.363 22.561 12 HD3 PRO 36 1HD PRO 36 26.857 28.805 22.956 13 H ARG 37 HN ARG 37 22.725 25.055 23.637 14 HA ARG 37 HA ARG 37 24.312 22.575 23.183 15 HE ARG 37 HE ARG 37 20.824 23.159 26.288 16 HB2 ARG 37 2HB ARG 37 21.554 23.003 24.371 17 HB3 ARG 37 1HB ARG 37 22.308 21.425 24.143 18 HG2 ARG 37 2HG ARG 37 24.245 22.239 25.541 19 HG3 ARG 37 1HG ARG 37 23.305 23.690 25.891 20 HD2 ARG 37 2HD ARG 37 22.472 20.839 26.513 21 HD3 ARG 37 1HD ARG 37 23.021 22.035 27.688 22 HH11 ARG 37 1HH1 ARG 37 21.190 22.721 29.315 23 HH12 ARG 37 2HH1 ARG 37 19.806 21.739 29.663 24 HH21 ARG 37 1HH2 ARG 37 19.195 20.956 26.340 25 HH22 ARG 37 2HH2 ARG 37 18.676 20.740 27.979 26 H LYS 38 HN LYS 38 22.264 24.687 21.542 27 HA LYS 38 HA LYS 38 20.740 22.794 19.980 28 HB2 LYS 38 2HB LYS 38 21.573 25.589 19.158 29 HB3 LYS 38 1HB LYS 38 20.183 24.673 18.576 30 HG2 LYS 38 2HG LYS 38 19.217 24.699 20.850 31 HG3 LYS 38 1HG LYS 38 20.604 25.623 21.427 32 HD2 LYS 38 2HD LYS 38 20.046 27.461 19.906 33 HD3 LYS 38 1HD LYS 38 18.700 26.531 19.246 34 HE2 LYS 38 2HE LYS 38 17.623 27.872 20.831 35 HE3 LYS 38 1HE LYS 38 17.925 26.398 21.751 36 HZ1 LYS 38 3HZ LYS 38 19.182 27.535 23.151 37 HZ2 LYS 38 1HZ LYS 38 18.806 28.968 22.326 38 HZ3 LYS 38 2HZ LYS 38 20.184 28.074 21.889 39 H GLY 39 HN GLY 39 21.172 23.217 17.362 40 HA2 GLY 39 1HA GLY 39 23.509 23.497 16.081 41 HA3 GLY 39 2HA GLY 39 23.840 22.003 16.954 42 H ASN 40 HN ASN 40 22.203 23.403 14.247 43 HA ASN 40 HA ASN 40 20.739 20.881 13.692 44 HB2 ASN 40 2HB ASN 40 19.683 23.183 13.375 45 HB3 ASN 40 1HB ASN 40 20.773 23.393 12.004 46 HD21 ASN 40 1HD2 ASN 40 18.497 23.458 10.873 47 HD22 ASN 40 2HD2 ASN 40 17.879 21.967 10.347 48 H THR 41 HN THR 41 22.206 19.384 12.922 49 HA THR 41 HA THR 41 24.424 20.104 11.200 50 HB THR 41 HB THR 41 23.157 17.429 11.857 51 HG1 THR 41 1HG THR 41 24.352 18.776 13.456 52 HG21 THR 41 3HG2 THR 41 25.410 18.205 10.052 53 HG22 THR 41 1HG2 THR 41 24.234 16.903 9.880 54 HG23 THR 41 2HG2 THR 41 25.578 16.734 11.010 55 H LEU 42 HN LEU 42 24.372 20.385 9.020 56 HA LEU 42 HA LEU 42 21.884 19.574 7.584 57 HG LEU 42 HG LEU 42 23.247 22.421 8.683 58 HB2 LEU 42 2HB LEU 42 23.992 21.501 6.590 59 HB3 LEU 42 1HB LEU 42 22.336 21.318 6.018 60 HD11 LEU 42 1HD1 LEU 42 23.012 24.393 7.625 61 HD12 LEU 42 2HD1 LEU 42 21.312 24.019 7.348 62 HD13 LEU 42 3HD1 LEU 42 22.522 23.563 6.149 63 HD21 LEU 42 3HD2 LEU 42 21.341 21.025 9.149 64 HD22 LEU 42 1HD2 LEU 42 20.491 21.614 7.721 65 HD23 LEU 42 2HD2 LEU 42 20.760 22.689 9.093 66 H TYR 43 HN TYR 43 22.057 18.358 5.659 67 HA TYR 43 HA TYR 43 24.644 16.931 5.353 68 HD1 TYR 43 HD1 TYR 43 24.661 14.128 5.278 69 HD2 TYR 43 HD2 TYR 43 22.538 15.805 1.941 70 HE1 TYR 43 HE1 TYR 43 25.805 12.541 3.753 71 HE2 TYR 43 HE2 TYR 43 23.683 14.218 0.416 72 HH TYR 43 HH TYR 43 24.783 11.953 0.612 73 HB2 TYR 43 2HB TYR 43 22.626 15.547 5.577 74 HB3 TYR 43 1HB TYR 43 21.901 16.357 4.189 75 H VAL 44 HN VAL 44 26.011 17.702 3.825 76 HA VAL 44 HA VAL 44 24.820 19.064 1.443 77 HB VAL 44 HB VAL 44 27.572 19.408 2.676 78 HG11 VAL 44 1HG1 VAL 44 26.289 20.333 0.150 79 HG12 VAL 44 2HG1 VAL 44 27.986 19.992 0.490 80 HG13 VAL 44 3HG1 VAL 44 27.268 21.511 1.025 81 HG21 VAL 44 3HG2 VAL 44 26.765 21.594 3.375 82 HG22 VAL 44 1HG2 VAL 44 25.661 20.365 3.991 83 HG23 VAL 44 2HG2 VAL 44 25.218 21.319 2.575 84 H TYR 45 HN TYR 45 25.405 18.314 -0.586 85 HA TYR 45 HA TYR 45 27.374 16.061 -0.657 86 HD1 TYR 45 HD1 TYR 45 26.590 13.359 -0.962 87 HD2 TYR 45 HD2 TYR 45 25.887 15.777 -4.442 88 HE1 TYR 45 HE1 TYR 45 27.616 11.607 -2.387 89 HE2 TYR 45 HE2 TYR 45 26.912 14.025 -5.867 90 HH TYR 45 HH TYR 45 28.848 11.883 -5.034 91 HB2 TYR 45 2HB TYR 45 25.017 15.282 -0.926 92 HB3 TYR 45 1HB TYR 45 24.860 16.334 -2.333 93 H GLY 46 HN GLY 46 28.936 16.235 -2.228 94 HA2 GLY 46 1HA GLY 46 28.631 17.629 -4.702 95 HA3 GLY 46 2HA GLY 46 29.418 18.700 -3.542 96 H GLU 47 HN GLU 47 31.114 18.315 -5.409 97 HA GLU 47 HA GLU 47 32.824 16.002 -4.581 98 HB2 GLU 47 2HB GLU 47 32.571 17.239 -7.341 99 HB3 GLU 47 1HB GLU 47 33.670 15.932 -6.903 100 HG2 GLU 47 2HG GLU 47 31.712 14.547 -6.236 101 HG3 GLU 47 1HG GLU 47 30.640 15.844 -6.763 102 H ASP 48 HN ASP 48 35.153 16.422 -4.742 103 HA ASP 48 HA ASP 48 36.976 17.777 -4.111 104 HB2 ASP 48 2HB ASP 48 36.748 18.193 -6.579 105 HB3 ASP 48 1HB ASP 48 35.769 19.611 -6.202 106 H MET 49 HN MET 49 34.892 18.090 -2.310 107 HA MET 49 HA MET 49 34.500 21.008 -1.963 108 HB2 MET 49 2HB MET 49 33.420 18.638 -0.415 109 HB3 MET 49 1HB MET 49 33.015 20.321 -0.085 110 HG2 MET 49 2HG MET 49 32.174 20.527 -2.434 111 HG3 MET 49 1HG MET 49 32.470 18.802 -2.653 112 HE1 MET 49 3HE MET 49 30.193 16.956 -0.456 113 HE2 MET 49 1HE MET 49 31.456 17.722 0.518 114 HE3 MET 49 2HE MET 49 31.824 17.127 -1.099 115 H THR 50 HN THR 50 35.376 22.147 -0.209 116 HA THR 50 HA THR 50 37.360 20.629 1.441 117 HB THR 50 HB THR 50 38.500 22.975 1.549 118 HG1 THR 50 1HG THR 50 37.224 24.327 0.525 119 HG21 THR 50 3HG2 THR 50 39.473 21.024 0.422 120 HG22 THR 50 1HG2 THR 50 39.737 22.480 -0.538 121 HG23 THR 50 2HG2 THR 50 38.477 21.335 -1.000 122 HA PRO 51 HA PRO 51 35.421 22.193 5.099 123 HB2 PRO 51 2HB PRO 51 37.516 22.875 6.666 124 HB3 PRO 51 1HB PRO 51 37.075 21.200 6.328 125 HG2 PRO 51 2HG PRO 51 39.202 22.892 5.070 126 HG3 PRO 51 1HG PRO 51 39.288 21.207 5.594 127 HD2 PRO 51 1HD PRO 51 38.944 21.883 3.001 128 HD3 PRO 51 2HD PRO 51 38.229 20.426 3.692 129 H THR 52 HN THR 52 38.217 24.309 4.327 130 HA THR 52 HA THR 52 37.167 26.652 5.528 131 HB THR 52 HB THR 52 38.929 26.503 3.063 132 HG1 THR 52 1HG THR 52 39.437 25.432 5.281 133 HG21 THR 52 3HG2 THR 52 39.769 28.662 4.415 134 HG22 THR 52 1HG2 THR 52 38.085 28.656 4.938 135 HG23 THR 52 2HG2 THR 52 38.474 28.749 3.221 136 H LEU 53 HN LEU 53 36.889 25.501 2.157 137 HA LEU 53 HA LEU 53 35.365 27.684 1.167 138 HG LEU 53 HG LEU 53 33.453 26.577 -0.493 139 HB2 LEU 53 2HB LEU 53 36.374 25.857 -0.231 140 HB3 LEU 53 1HB LEU 53 35.104 24.776 0.343 141 HD11 LEU 53 1HD1 LEU 53 34.891 27.597 -2.620 142 HD12 LEU 53 2HD1 LEU 53 36.051 27.687 -1.294 143 HD13 LEU 53 3HD1 LEU 53 34.484 28.485 -1.151 144 HD21 LEU 53 3HD2 LEU 53 33.743 25.757 -2.894 145 HD22 LEU 53 1HD2 LEU 53 33.604 24.497 -1.668 146 HD23 LEU 53 2HD2 LEU 53 35.185 24.911 -2.332 147 H LEU 54 HN LEU 54 34.184 24.515 2.363 148 HA LEU 54 HA LEU 54 31.428 25.101 2.275 149 HG LEU 54 HG LEU 54 32.818 22.998 1.622 150 HB2 LEU 54 2HB LEU 54 32.971 23.406 4.263 151 HB3 LEU 54 1HB LEU 54 31.215 23.402 4.108 152 HD11 LEU 54 1HD1 LEU 54 33.396 21.469 3.879 153 HD12 LEU 54 2HD1 LEU 54 33.721 21.010 2.208 154 HD13 LEU 54 3HD1 LEU 54 32.231 20.487 2.992 155 HD21 LEU 54 3HD2 LEU 54 30.854 22.137 0.851 156 HD22 LEU 54 1HD2 LEU 54 30.153 22.977 2.234 157 HD23 LEU 54 2HD2 LEU 54 30.541 21.260 2.350 158 H ARG 55 HN ARG 55 33.793 25.758 4.857 159 HA ARG 55 HA ARG 55 32.070 26.761 6.832 160 HE ARG 55 HE ARG 55 34.769 30.355 9.806 161 HB2 ARG 55 2HB ARG 55 34.531 26.484 7.106 162 HB3 ARG 55 1HB ARG 55 34.783 27.888 6.069 163 HG2 ARG 55 2HG ARG 55 33.480 29.277 7.656 164 HG3 ARG 55 1HG ARG 55 33.277 27.872 8.703 165 HD2 ARG 55 2HD ARG 55 35.767 27.696 8.870 166 HD3 ARG 55 1HD ARG 55 35.903 29.182 7.931 167 HH11 ARG 55 1HH1 ARG 55 37.206 28.335 10.527 168 HH12 ARG 55 2HH1 ARG 55 36.716 27.949 12.143 169 HH21 ARG 55 1HH2 ARG 55 33.562 29.350 11.805 170 HH22 ARG 55 2HH2 ARG 55 34.653 28.523 12.866 171 H GLY 56 HN GLY 56 33.345 28.390 3.945 172 HA2 GLY 56 2HA GLY 56 32.207 30.967 4.589 173 HA3 GLY 56 1HA GLY 56 32.784 30.469 2.999 174 H ALA 57 HN ALA 57 31.028 28.090 2.939 175 HA ALA 57 HA ALA 57 28.681 29.367 1.812 176 HB1 ALA 57 1HB ALA 57 29.079 26.431 2.457 177 HB2 ALA 57 2HB ALA 57 29.670 27.203 0.985 178 HB3 ALA 57 3HB ALA 57 27.938 27.118 1.301 179 H PHE 58 HN PHE 58 29.542 28.290 4.954 180 HA PHE 58 HA PHE 58 26.690 28.592 5.808 181 HD1 PHE 58 HD1 PHE 58 25.166 26.190 6.372 182 HD2 PHE 58 HD2 PHE 58 29.127 25.495 4.862 183 HE1 PHE 58 HE1 PHE 58 24.262 24.535 4.761 184 HE2 PHE 58 HE2 PHE 58 28.223 23.841 3.251 185 HZ PHE 58 HZ PHE 58 25.790 23.361 3.201 186 HB2 PHE 58 2HB PHE 58 28.779 26.705 6.940 187 HB3 PHE 58 1HB PHE 58 27.163 26.943 7.604 188 H SER 59 HN SER 59 29.578 30.073 5.826 189 HA SER 59 HA SER 59 29.899 30.726 8.632 190 HG SER 59 HG SER 59 32.589 31.743 8.353 191 HB2 SER 59 2HB SER 59 31.156 31.473 6.075 192 HB3 SER 59 1HB SER 59 31.133 32.767 7.273 193 HA PRO 60 HA PRO 60 27.787 34.903 7.330 194 HB2 PRO 60 2HB PRO 60 26.552 34.978 4.928 195 HB3 PRO 60 1HB PRO 60 28.246 35.421 5.152 196 HG2 PRO 60 2HG PRO 60 27.072 32.856 4.149 197 HG3 PRO 60 1HG PRO 60 28.466 33.754 3.540 198 HD2 PRO 60 2HD PRO 60 28.728 31.571 5.115 199 HD3 PRO 60 1HD PRO 60 29.880 32.903 5.157 200 H PHE 61 HN PHE 61 26.247 31.939 6.113 201 HA PHE 61 HA PHE 61 23.542 32.727 6.476 202 HD1 PHE 61 HD1 PHE 61 21.805 31.090 4.908 203 HD2 PHE 61 HD2 PHE 61 26.019 30.354 4.514 204 HE1 PHE 61 HE1 PHE 61 21.594 31.205 2.440 205 HE2 PHE 61 HE2 PHE 61 25.809 30.470 2.046 206 HZ PHE 61 HZ PHE 61 23.596 30.895 1.008 207 HB2 PHE 61 2HB PHE 61 24.900 30.030 6.634 208 HB3 PHE 61 1HB PHE 61 23.154 30.218 6.792 209 H GLY 62 HN GLY 62 25.841 31.246 8.761 210 HA2 GLY 62 1HA GLY 62 24.707 32.537 11.035 211 HA3 GLY 62 2HA GLY 62 24.040 30.908 10.931 212 H ASN 63 HN ASN 63 25.432 31.158 13.126 213 HA ASN 63 HA ASN 63 28.295 30.638 12.699 214 HB2 ASN 63 2HB ASN 63 27.357 31.947 14.668 215 HB3 ASN 63 1HB ASN 63 26.738 30.416 15.286 216 HD21 ASN 63 1HD2 ASN 63 28.154 29.401 16.707 217 HD22 ASN 63 2HD2 ASN 63 29.843 29.567 16.693 218 H ILE 64 HN ILE 64 29.281 28.624 12.901 219 HA ILE 64 HA ILE 64 27.417 26.299 13.026 220 HB ILE 64 HB ILE 64 30.266 26.475 11.997 221 HG12 ILE 64 2HG1 ILE 64 27.745 26.028 10.394 222 HG13 ILE 64 1HG1 ILE 64 28.370 27.648 10.702 223 HG21 ILE 64 1HG2 ILE 64 28.706 24.213 11.094 224 HG22 ILE 64 2HG2 ILE 64 28.759 24.247 12.856 225 HG23 ILE 64 3HG2 ILE 64 30.260 24.223 11.929 226 HD11 ILE 64 3HD1 ILE 64 29.615 27.297 8.832 227 HD12 ILE 64 1HD1 ILE 64 29.394 25.548 8.904 228 HD13 ILE 64 2HD1 ILE 64 30.635 26.322 9.891 229 H ILE 65 HN ILE 65 27.586 24.848 14.694 230 HA ILE 65 HA ILE 65 29.621 25.436 16.779 231 HB ILE 65 HB ILE 65 28.216 24.149 18.276 232 HG12 ILE 65 2HG1 ILE 65 26.599 23.467 15.799 233 HG13 ILE 65 1HG1 ILE 65 27.633 22.348 16.687 234 HG21 ILE 65 1HG2 ILE 65 27.458 26.422 17.922 235 HG22 ILE 65 2HG2 ILE 65 26.036 25.381 17.989 236 HG23 ILE 65 3HG2 ILE 65 26.630 25.961 16.433 237 HD11 ILE 65 3HD1 ILE 65 24.999 23.538 17.485 238 HD12 ILE 65 1HD1 ILE 65 26.162 23.130 18.747 239 HD13 ILE 65 2HD1 ILE 65 25.572 21.878 17.653 240 H ASP 66 HN ASP 66 28.832 23.104 14.347 241 HA ASP 66 HA ASP 66 31.282 21.622 14.938 242 HB2 ASP 66 2HB ASP 66 29.549 20.627 16.493 243 HB3 ASP 66 1HB ASP 66 28.650 20.125 15.061 244 H LEU 67 HN LEU 67 32.029 21.749 12.855 245 HA LEU 67 HA LEU 67 30.161 20.927 10.669 246 HG LEU 67 HG LEU 67 30.981 21.223 8.542 247 HB2 LEU 67 2HB LEU 67 31.178 23.255 10.578 248 HB3 LEU 67 1HB LEU 67 32.746 22.476 10.367 249 HD11 LEU 67 1HD1 LEU 67 29.476 23.157 8.817 250 HD12 LEU 67 2HD1 LEU 67 30.205 23.159 7.212 251 HD13 LEU 67 3HD1 LEU 67 30.811 24.251 8.456 252 HD21 LEU 67 3HD2 LEU 67 33.066 23.366 8.034 253 HD22 LEU 67 1HD2 LEU 67 32.516 22.142 6.889 254 HD23 LEU 67 2HD2 LEU 67 33.436 21.665 8.317 255 H SER 68 HN SER 68 30.551 18.912 9.900 256 HA SER 68 HA SER 68 33.350 17.867 10.089 257 HG SER 68 HG SER 68 30.789 17.112 12.062 258 HB2 SER 68 2HB SER 68 30.780 16.257 10.110 259 HB3 SER 68 1HB SER 68 32.413 15.637 10.347 260 H MET 69 HN MET 69 34.078 16.577 8.295 261 HA MET 69 HA MET 69 32.441 16.940 5.816 262 HB2 MET 69 2HB MET 69 35.449 17.051 6.175 263 HB3 MET 69 1HB MET 69 34.648 17.009 4.605 264 HG2 MET 69 2HG MET 69 33.375 19.066 5.259 265 HG3 MET 69 1HG MET 69 34.320 19.132 6.747 266 HE1 MET 69 3HE MET 69 35.549 19.918 2.449 267 HE2 MET 69 1HE MET 69 34.073 19.190 3.096 268 HE3 MET 69 2HE MET 69 35.534 18.222 2.926 269 H ASP 70 HN ASP 70 32.237 15.134 4.488 270 HA ASP 70 HA ASP 70 33.560 12.637 5.473 271 HB2 ASP 70 2HB ASP 70 30.807 13.213 5.235 272 HB3 ASP 70 1HB ASP 70 31.189 12.128 3.897 273 HA PRO 71 HA PRO 71 35.213 13.054 1.272 274 HB2 PRO 71 2HB PRO 71 37.315 11.406 1.657 275 HB3 PRO 71 1HB PRO 71 37.303 13.102 2.145 276 HG2 PRO 71 2HG PRO 71 36.971 10.652 3.794 277 HG3 PRO 71 1HG PRO 71 37.745 12.180 4.204 278 HD2 PRO 71 2HD PRO 71 35.211 11.444 5.027 279 HD3 PRO 71 1HD PRO 71 35.796 13.104 4.946 280 HA PRO 72 HA PRO 72 34.687 8.267 0.673 281 HB2 PRO 72 2HB PRO 72 33.110 6.983 2.440 282 HB3 PRO 72 1HB PRO 72 34.858 7.118 2.641 283 HG2 PRO 72 2HG PRO 72 32.670 8.639 3.972 284 HG3 PRO 72 1HG PRO 72 34.200 8.068 4.639 285 HD2 PRO 72 1HD PRO 72 33.728 10.654 3.865 286 HD3 PRO 72 2HD PRO 72 35.326 9.926 3.946 287 H ARG 73 HN ARG 73 31.960 9.918 2.278 288 HA ARG 73 HA ARG 73 30.110 8.832 0.233 289 HE ARG 73 HE ARG 73 24.989 10.498 1.832 290 HB2 ARG 73 2HB ARG 73 29.477 8.909 2.673 291 HB3 ARG 73 1HB ARG 73 29.493 10.669 2.564 292 HG2 ARG 73 2HG ARG 73 27.799 10.548 0.747 293 HG3 ARG 73 1HG ARG 73 27.751 8.794 0.934 294 HD2 ARG 73 2HD ARG 73 27.103 9.130 3.336 295 HD3 ARG 73 1HD ARG 73 27.008 10.863 3.025 296 HH11 ARG 73 1HH1 ARG 73 26.022 8.193 0.164 297 HH12 ARG 73 2HH1 ARG 73 25.009 6.895 0.702 298 HH21 ARG 73 1HH2 ARG 73 23.944 8.554 3.555 299 HH22 ARG 73 2HH2 ARG 73 23.833 7.099 2.622 300 H ASN 74 HN ASN 74 32.158 11.448 0.520 301 HA ASN 74 HA ASN 74 32.318 13.467 -0.663 302 HB2 ASN 74 2HB ASN 74 30.137 12.174 -2.331 303 HB3 ASN 74 1HB ASN 74 31.073 13.593 -2.800 304 HD21 ASN 74 1HD2 ASN 74 31.162 11.215 -4.377 305 HD22 ASN 74 2HD2 ASN 74 32.711 10.533 -4.243 306 H CYS 75 HN CYS 75 30.801 13.590 1.657 307 HA CYS 75 HA CYS 75 28.864 15.709 0.923 308 HG CYS 75 HG CYS 75 29.238 12.858 3.368 309 HB2 CYS 75 2HB CYS 75 27.093 14.785 2.294 310 HB3 CYS 75 1HB CYS 75 27.592 13.546 1.142 311 H ALA 76 HN ALA 76 28.724 17.320 2.511 312 HA ALA 76 HA ALA 76 30.579 16.965 4.828 313 HB1 ALA 76 1HB ALA 76 31.291 19.119 4.548 314 HB2 ALA 76 2HB ALA 76 29.689 19.694 4.084 315 HB3 ALA 76 3HB ALA 76 30.711 18.878 2.900 316 H PHE 77 HN PHE 77 29.894 17.930 6.873 317 HA PHE 77 HA PHE 77 26.917 18.182 7.079 318 HD1 PHE 77 HD1 PHE 77 25.515 15.894 8.136 319 HD2 PHE 77 HD2 PHE 77 29.747 15.321 7.671 320 HE1 PHE 77 HE1 PHE 77 25.099 13.703 7.052 321 HE2 PHE 77 HE2 PHE 77 29.330 13.129 6.586 322 HZ PHE 77 HZ PHE 77 27.006 12.321 6.277 323 HB2 PHE 77 2HB PHE 77 28.880 17.070 9.110 324 HB3 PHE 77 1HB PHE 77 27.148 17.268 9.376 325 H VAL 78 HN VAL 78 26.188 20.067 7.979 326 HA VAL 78 HA VAL 78 28.190 21.772 9.404 327 HB VAL 78 HB VAL 78 25.975 22.717 7.564 328 HG11 VAL 78 1HG1 VAL 78 26.269 24.526 8.962 329 HG12 VAL 78 2HG1 VAL 78 27.604 24.830 7.850 330 HG13 VAL 78 3HG1 VAL 78 27.910 24.051 9.402 331 HG21 VAL 78 3HG2 VAL 78 28.411 23.539 6.532 332 HG22 VAL 78 1HG2 VAL 78 27.455 22.182 5.934 333 HG23 VAL 78 2HG2 VAL 78 28.752 21.903 7.096 334 H THR 79 HN THR 79 27.567 22.102 11.477 335 HA THR 79 HA THR 79 24.720 21.681 12.202 336 HB THR 79 HB THR 79 27.054 22.200 14.061 337 HG1 THR 79 1HG THR 79 26.011 19.665 13.429 338 HG21 THR 79 3HG2 THR 79 24.263 21.089 14.364 339 HG22 THR 79 1HG2 THR 79 24.992 22.453 15.210 340 HG23 THR 79 2HG2 THR 79 25.513 20.808 15.575 341 H TYR 80 HN TYR 80 23.399 23.373 12.758 342 HA TYR 80 HA TYR 80 24.676 26.070 12.960 343 HD1 TYR 80 HD1 TYR 80 24.742 27.807 12.065 344 HD2 TYR 80 HD2 TYR 80 22.420 25.440 9.335 345 HE1 TYR 80 HE1 TYR 80 25.950 28.827 10.154 346 HE2 TYR 80 HE2 TYR 80 23.628 26.459 7.423 347 HH TYR 80 HH TYR 80 25.967 29.076 7.915 348 HB2 TYR 80 2HB TYR 80 22.196 25.090 11.640 349 HB3 TYR 80 1HB TYR 80 22.103 26.668 12.422 350 H GLU 81 HN GLU 81 24.147 27.355 14.725 351 HA GLU 81 HA GLU 81 23.249 26.108 17.119 352 HB2 GLU 81 2HB GLU 81 24.616 28.235 16.941 353 HB3 GLU 81 1HB GLU 81 23.124 29.074 16.517 354 HG2 GLU 81 2HG GLU 81 22.108 28.287 18.647 355 HG3 GLU 81 1HG GLU 81 23.640 27.527 19.076 356 H LYS 82 HN LYS 82 21.501 27.785 14.572 357 HA LYS 82 HA LYS 82 18.967 27.092 15.996 358 HB2 LYS 82 2HB LYS 82 19.578 29.657 14.495 359 HB3 LYS 82 1HB LYS 82 17.981 29.200 15.089 360 HG2 LYS 82 2HG LYS 82 18.979 29.027 17.399 361 HG3 LYS 82 1HG LYS 82 20.472 29.700 16.744 362 HD2 LYS 82 2HD LYS 82 19.045 31.647 15.888 363 HD3 LYS 82 1HD LYS 82 17.753 31.017 16.910 364 HE2 LYS 82 2HE LYS 82 20.412 32.170 17.721 365 HE3 LYS 82 1HE LYS 82 18.803 32.556 18.332 366 HZ1 LYS 82 3HZ LYS 82 18.827 30.101 19.088 367 HZ2 LYS 82 1HZ LYS 82 19.666 31.257 20.003 368 HZ3 LYS 82 2HZ LYS 82 20.514 30.240 18.940 369 H MET 83 HN MET 83 17.220 26.523 14.592 370 HA MET 83 HA MET 83 17.997 25.198 12.163 371 HB2 MET 83 2HB MET 83 15.280 25.946 13.278 372 HB3 MET 83 1HB MET 83 15.498 24.974 11.824 373 HG2 MET 83 2HG MET 83 16.899 23.383 13.192 374 HG3 MET 83 1HG MET 83 16.443 24.302 14.626 375 HE1 MET 83 3HE MET 83 14.125 21.632 15.580 376 HE2 MET 83 1HE MET 83 15.563 22.622 15.865 377 HE3 MET 83 2HE MET 83 15.646 21.223 14.796 378 H GLU 84 HN GLU 84 17.101 28.453 12.865 379 HA GLU 84 HA GLU 84 16.007 29.206 10.327 380 HB2 GLU 84 2HB GLU 84 17.539 30.827 12.381 381 HB3 GLU 84 1HB GLU 84 16.700 31.521 10.994 382 HG2 GLU 84 2HG GLU 84 14.577 30.530 11.794 383 HG3 GLU 84 1HG GLU 84 15.421 29.864 13.191 384 H SER 85 HN SER 85 19.352 29.250 11.573 385 HA SER 85 HA SER 85 20.548 30.395 9.250 386 HG SER 85 HG SER 85 22.735 29.105 9.026 387 HB2 SER 85 2HB SER 85 21.735 30.150 11.409 388 HB3 SER 85 1HB SER 85 21.740 28.399 11.201 389 H ALA 86 HN ALA 86 19.545 27.106 9.998 390 HA ALA 86 HA ALA 86 20.938 25.899 7.752 391 HB1 ALA 86 1HB ALA 86 18.637 24.937 9.474 392 HB2 ALA 86 2HB ALA 86 20.338 24.502 9.636 393 HB3 ALA 86 3HB ALA 86 19.416 23.951 8.237 394 H ASP 87 HN ASP 87 17.775 27.360 8.250 395 HA ASP 87 HA ASP 87 16.567 26.367 5.831 396 HB2 ASP 87 2HB ASP 87 15.298 27.374 7.744 397 HB3 ASP 87 1HB ASP 87 15.955 28.949 7.300 398 H GLN 88 HN GLN 88 18.164 29.476 6.602 399 HA GLN 88 HA GLN 88 17.972 30.493 3.915 400 HB2 GLN 88 2HB GLN 88 18.381 31.903 5.947 401 HB3 GLN 88 1HB GLN 88 20.005 31.222 6.046 402 HG2 GLN 88 2HG GLN 88 20.490 32.071 3.772 403 HG3 GLN 88 1HG GLN 88 18.872 32.769 3.693 404 HE21 GLN 88 1HE2 GLN 88 20.922 34.583 3.427 405 HE22 GLN 88 2HE2 GLN 88 21.122 35.489 4.848 406 H ALA 89 HN ALA 89 20.429 28.609 5.639 407 HA ALA 89 HA ALA 89 22.357 28.756 3.464 408 HB1 ALA 89 1HB ALA 89 22.487 26.487 5.375 409 HB2 ALA 89 2HB ALA 89 22.572 28.100 6.084 410 HB3 ALA 89 3HB ALA 89 23.752 27.607 4.870 411 H VAL 90 HN VAL 90 20.204 26.169 4.689 412 HA VAL 90 HA VAL 90 20.811 24.324 2.579 413 HB VAL 90 HB VAL 90 18.340 24.578 4.321 414 HG11 VAL 90 1HG1 VAL 90 18.210 22.061 3.688 415 HG12 VAL 90 2HG1 VAL 90 19.246 22.502 2.330 416 HG13 VAL 90 3HG1 VAL 90 17.654 23.242 2.502 417 HG21 VAL 90 3HG2 VAL 90 20.064 22.322 4.841 418 HG22 VAL 90 1HG2 VAL 90 19.581 23.618 5.936 419 HG23 VAL 90 2HG2 VAL 90 21.000 23.815 4.907 420 H ALA 91 HN ALA 91 18.456 26.937 2.881 421 HA ALA 91 HA ALA 91 17.080 26.219 0.402 422 HB1 ALA 91 1HB ALA 91 15.743 28.162 0.784 423 HB2 ALA 91 2HB ALA 91 16.965 28.881 1.834 424 HB3 ALA 91 3HB ALA 91 16.051 27.476 2.380 425 H GLU 92 HN GLU 92 19.394 28.747 1.406 426 HA GLU 92 HA GLU 92 19.572 29.865 -1.274 427 HB2 GLU 92 2HB GLU 92 20.106 31.002 1.010 428 HB3 GLU 92 1HB GLU 92 21.675 30.217 0.853 429 HG2 GLU 92 2HG GLU 92 21.898 31.258 -1.417 430 HG3 GLU 92 1HG GLU 92 20.407 32.144 -1.107 431 H LEU 93 HN LEU 93 21.693 27.775 0.705 432 HA LEU 93 HA LEU 93 23.723 27.476 -1.293 433 HG LEU 93 HG LEU 93 23.423 27.921 1.609 434 HB2 LEU 93 2HB LEU 93 22.936 25.525 0.892 435 HB3 LEU 93 1HB LEU 93 24.475 25.560 0.032 436 HD11 LEU 93 1HD1 LEU 93 25.282 27.105 3.246 437 HD12 LEU 93 2HD1 LEU 93 25.061 25.542 2.461 438 HD13 LEU 93 3HD1 LEU 93 23.710 26.307 3.295 439 HD21 LEU 93 3HD2 LEU 93 25.950 28.408 1.586 440 HD22 LEU 93 1HD2 LEU 93 25.093 28.604 0.057 441 HD23 LEU 93 2HD2 LEU 93 26.061 27.159 0.347 442 H ASN 94 HN ASN 94 20.817 25.557 -0.545 443 HA ASN 94 HA ASN 94 21.313 23.492 -2.465 444 HB2 ASN 94 2HB ASN 94 19.624 23.326 -0.642 445 HB3 ASN 94 1HB ASN 94 18.640 24.525 -1.479 446 HD21 ASN 94 1HD2 ASN 94 17.070 22.536 -1.450 447 HD22 ASN 94 2HD2 ASN 94 17.182 21.466 -2.765 448 H GLY 95 HN GLY 95 21.209 23.581 -4.656 449 HA2 GLY 95 2HA GLY 95 20.239 24.199 -6.763 450 HA3 GLY 95 1HA GLY 95 19.378 25.510 -5.955 451 H THR 96 HN THR 96 22.784 25.023 -5.358 452 HA THR 96 HA THR 96 23.355 27.442 -7.026 453 HB THR 96 HB THR 96 24.876 28.223 -5.366 454 HG1 THR 96 1HG THR 96 25.591 26.953 -3.724 455 HG21 THR 96 3HG2 THR 96 23.447 28.055 -3.217 456 HG22 THR 96 1HG2 THR 96 22.327 27.111 -4.202 457 HG23 THR 96 2HG2 THR 96 22.699 28.779 -4.642 458 H GLN 97 HN GLN 97 25.616 27.529 -7.839 459 HA GLN 97 HA GLN 97 26.864 24.822 -8.049 460 HB2 GLN 97 2HB GLN 97 25.613 25.371 -10.131 461 HB3 GLN 97 1HB GLN 97 26.581 26.836 -10.301 462 HG2 GLN 97 2HG GLN 97 28.635 25.460 -10.399 463 HG3 GLN 97 1HG GLN 97 27.659 23.999 -10.246 464 HE21 GLN 97 1HE2 GLN 97 29.148 24.089 -12.534 465 HE22 GLN 97 2HE2 GLN 97 28.193 24.478 -13.882 466 H VAL 98 HN VAL 98 29.166 24.851 -8.243 467 HA VAL 98 HA VAL 98 30.385 27.387 -7.283 468 HB VAL 98 HB VAL 98 31.972 24.869 -7.557 469 HG11 VAL 98 1HG1 VAL 98 31.922 26.392 -5.040 470 HG12 VAL 98 2HG1 VAL 98 32.389 27.353 -6.443 471 HG13 VAL 98 3HG1 VAL 98 33.297 25.899 -6.028 472 HG21 VAL 98 3HG2 VAL 98 30.069 23.851 -6.611 473 HG22 VAL 98 1HG2 VAL 98 29.658 25.285 -5.672 474 HG23 VAL 98 2HG2 VAL 98 31.033 24.288 -5.201 475 H GLU 99 HN GLU 99 33.052 26.546 -8.256 476 HA GLU 99 HA GLU 99 33.176 27.978 -10.676 477 HB2 GLU 99 2HB GLU 99 34.993 25.770 -9.669 478 HB3 GLU 99 1HB GLU 99 35.384 26.849 -11.007 479 HG2 GLU 99 2HG GLU 99 35.103 28.795 -9.468 480 HG3 GLU 99 1HG GLU 99 34.837 27.667 -8.138 481 H SER 100 HN SER 100 32.696 24.503 -10.136 482 HA SER 100 HA SER 100 31.414 24.237 -12.737 483 HG SER 100 HG SER 100 33.268 24.129 -14.685 484 HB2 SER 100 2HB SER 100 34.178 23.110 -12.269 485 HB3 SER 100 1HB SER 100 33.078 22.411 -13.458 486 H VAL 101 HN VAL 101 30.898 23.693 -9.863 487 HA VAL 101 HA VAL 101 30.037 20.874 -10.201 488 HB VAL 101 HB VAL 101 31.523 21.880 -7.754 489 HG11 VAL 101 1HG1 VAL 101 29.661 20.179 -7.416 490 HG12 VAL 101 2HG1 VAL 101 31.260 19.655 -6.890 491 HG13 VAL 101 3HG1 VAL 101 30.600 19.074 -8.418 492 HG21 VAL 101 3HG2 VAL 101 33.333 20.464 -8.442 493 HG22 VAL 101 1HG2 VAL 101 32.897 21.431 -9.851 494 HG23 VAL 101 2HG2 VAL 101 32.368 19.753 -9.735 495 H GLN 102 HN GLN 102 28.092 20.431 -9.120 496 HA GLN 102 HA GLN 102 26.682 22.821 -8.076 497 HB2 GLN 102 2HB GLN 102 25.640 20.038 -8.695 498 HB3 GLN 102 1HB GLN 102 24.655 21.438 -8.272 499 HG2 GLN 102 2HG GLN 102 25.412 22.617 -10.277 500 HG3 GLN 102 1HG GLN 102 26.493 21.284 -10.681 501 HE21 GLN 102 1HE2 GLN 102 24.480 22.049 -12.524 502 HE22 GLN 102 2HE2 GLN 102 23.299 20.832 -12.594 503 H LEU 103 HN LEU 103 25.666 22.799 -5.993 504 HA LEU 103 HA LEU 103 26.770 20.721 -4.144 505 HG LEU 103 HG LEU 103 28.225 23.136 -4.870 506 HB2 LEU 103 2HB LEU 103 26.102 23.628 -3.588 507 HB3 LEU 103 1HB LEU 103 26.640 22.467 -2.375 508 HD11 LEU 103 1HD1 LEU 103 29.083 24.949 -3.833 509 HD12 LEU 103 2HD1 LEU 103 29.343 24.044 -2.342 510 HD13 LEU 103 3HD1 LEU 103 27.778 24.794 -2.655 511 HD21 LEU 103 3HD2 LEU 103 28.404 21.081 -2.902 512 HD22 LEU 103 1HD2 LEU 103 29.753 22.186 -2.637 513 HD23 LEU 103 2HD2 LEU 103 29.532 21.426 -4.213 514 H LYS 104 HN LYS 104 25.295 19.618 -2.900 515 HA LYS 104 HA LYS 104 22.444 20.500 -3.110 516 HB2 LYS 104 2HB LYS 104 23.579 17.716 -2.693 517 HB3 LYS 104 1HB LYS 104 21.862 18.116 -2.755 518 HG2 LYS 104 2HG LYS 104 22.176 19.006 -5.055 519 HG3 LYS 104 1HG LYS 104 23.875 18.534 -4.988 520 HD2 LYS 104 2HD LYS 104 23.150 16.173 -4.581 521 HD3 LYS 104 1HD LYS 104 21.478 16.685 -4.803 522 HE2 LYS 104 2HE LYS 104 23.130 17.653 -6.977 523 HE3 LYS 104 1HE LYS 104 23.287 15.903 -6.814 524 HZ1 LYS 104 3HZ LYS 104 20.796 17.471 -7.164 525 HZ2 LYS 104 1HZ LYS 104 20.804 15.835 -6.717 526 HZ3 LYS 104 2HZ LYS 104 21.448 16.307 -8.216 527 H VAL 105 HN VAL 105 21.348 20.863 -1.208 528 HA VAL 105 HA VAL 105 22.801 20.196 1.322 529 HB VAL 105 HB VAL 105 20.879 22.500 0.893 530 HG11 VAL 105 1HG1 VAL 105 22.536 21.457 3.155 531 HG12 VAL 105 2HG1 VAL 105 20.924 22.173 3.183 532 HG13 VAL 105 3HG1 VAL 105 22.344 23.204 3.005 533 HG21 VAL 105 3HG2 VAL 105 23.728 23.094 1.324 534 HG22 VAL 105 1HG2 VAL 105 22.591 23.812 0.183 535 HG23 VAL 105 2HG2 VAL 105 23.398 22.294 -0.213 536 H ASN 106 HN ASN 106 21.621 19.161 2.915 537 HA ASN 106 HA ASN 106 18.683 18.906 2.563 538 HB2 ASN 106 2HB ASN 106 20.639 16.597 2.702 539 HB3 ASN 106 1HB ASN 106 18.912 16.415 3.008 540 HD21 ASN 106 1HD2 ASN 106 20.392 15.217 0.748 541 HD22 ASN 106 2HD2 ASN 106 19.714 15.860 -0.669 542 H ILE 107 HN ILE 107 17.995 17.320 4.586 543 HA ILE 107 HA ILE 107 19.137 18.711 6.955 544 HB ILE 107 HB ILE 107 16.609 17.055 6.710 545 HG12 ILE 107 2HG1 ILE 107 17.032 20.054 6.725 546 HG13 ILE 107 1HG1 ILE 107 16.493 19.093 5.348 547 HG21 ILE 107 1HG2 ILE 107 16.072 18.270 8.871 548 HG22 ILE 107 2HG2 ILE 107 17.754 18.802 8.901 549 HG23 ILE 107 3HG2 ILE 107 17.371 17.083 8.993 550 HD11 ILE 107 3HD1 ILE 107 14.429 18.553 6.403 551 HD12 ILE 107 1HD1 ILE 107 14.661 20.275 6.707 552 HD13 ILE 107 2HD1 ILE 107 15.003 19.101 7.978 553 H ALA 108 HN ALA 108 20.228 17.580 8.528 554 HA ALA 108 HA ALA 108 20.423 14.618 8.152 555 HB1 ALA 108 1HB ALA 108 22.496 16.233 7.842 556 HB2 ALA 108 2HB ALA 108 22.686 14.695 8.685 557 HB3 ALA 108 3HB ALA 108 22.522 16.190 9.605 558 H ARG 109 HN ARG 109 20.252 13.323 10.014 559 HA ARG 109 HA ARG 109 19.284 14.766 12.446 560 HE ARG 109 HE ARG 109 15.302 13.657 9.524 561 HB2 ARG 109 2HB ARG 109 18.773 11.893 11.617 562 HB3 ARG 109 1HB ARG 109 18.051 12.730 12.991 563 HG2 ARG 109 2HG ARG 109 16.975 14.333 11.463 564 HG3 ARG 109 1HG ARG 109 17.720 13.528 10.082 565 HD2 ARG 109 2HD ARG 109 16.555 11.400 10.836 566 HD3 ARG 109 1HD ARG 109 15.657 12.392 11.985 567 HH11 ARG 109 1HH1 ARG 109 15.463 10.340 9.645 568 HH12 ARG 109 2HH1 ARG 109 13.824 10.049 9.170 569 HH21 ARG 109 1HH2 ARG 109 12.881 13.376 9.429 570 HH22 ARG 109 2HH2 ARG 109 12.361 11.770 9.047 571 H LYS 110 HN LYS 110 22.119 14.100 11.658 572 HA LYS 110 HA LYS 110 22.884 12.022 13.604 573 HB2 LYS 110 2HB LYS 110 24.563 13.826 11.833 574 HB3 LYS 110 1HB LYS 110 25.193 12.513 12.827 575 HG2 LYS 110 2HG LYS 110 23.754 10.912 11.589 576 HG3 LYS 110 1HG LYS 110 23.188 12.235 10.567 577 HD2 LYS 110 2HD LYS 110 25.537 12.656 9.860 578 HD3 LYS 110 1HD LYS 110 26.056 11.277 10.828 579 HE2 LYS 110 2HE LYS 110 23.884 10.404 9.206 580 HE3 LYS 110 1HE LYS 110 25.001 11.282 8.161 581 HZ1 LYS 110 3HZ LYS 110 25.718 9.043 8.235 582 HZ2 LYS 110 1HZ LYS 110 25.611 8.981 9.927 583 HZ3 LYS 110 2HZ LYS 110 26.811 9.930 9.187 584 H GLN 111 HN GLN 111 21.760 14.920 14.164 585 HA GLN 111 HA GLN 111 23.858 15.596 16.189 586 HB2 GLN 111 2HB GLN 111 23.577 17.313 14.384 587 HB3 GLN 111 1HB GLN 111 21.897 17.508 14.886 588 HG2 GLN 111 2HG GLN 111 23.518 19.187 15.890 589 HG3 GLN 111 1HG GLN 111 22.556 18.291 17.067 590 HE21 GLN 111 1HE2 GLN 111 25.797 18.943 15.974 591 HE22 GLN 111 2HE2 GLN 111 26.590 17.895 17.047 592 HA PRO 112 HA PRO 112 19.854 14.464 18.350 593 HB2 PRO 112 2HB PRO 112 20.967 12.722 20.087 594 HB3 PRO 112 1HB PRO 112 20.407 12.241 18.483 595 HG2 PRO 112 2HG PRO 112 23.182 12.821 19.431 596 HG3 PRO 112 1HG PRO 112 22.619 11.547 18.347 597 HD2 PRO 112 1HD PRO 112 23.815 13.831 17.462 598 HD3 PRO 112 2HD PRO 112 22.633 12.933 16.509 599 H MET 113 HN MET 113 23.006 15.572 19.217 600 HA MET 113 HA MET 113 22.953 16.029 21.935 601 HB2 MET 113 2HB MET 113 24.864 16.800 20.821 602 HB3 MET 113 1HB MET 113 23.933 17.682 19.621 603 HG2 MET 113 2HG MET 113 23.229 18.926 22.016 604 HG3 MET 113 1HG MET 113 24.938 18.569 22.221 605 HE1 MET 113 3HE MET 113 22.637 20.739 19.138 606 HE2 MET 113 1HE MET 113 22.621 19.007 19.500 607 HE3 MET 113 2HE MET 113 23.664 19.635 18.225 608 H LEU 114 HN LEU 114 20.904 17.531 19.507 609 HA LEU 114 HA LEU 114 19.071 18.456 21.541 610 HG LEU 114 HG LEU 114 18.469 20.317 22.286 611 HB2 LEU 114 2HB LEU 114 21.062 20.152 21.501 612 HB3 LEU 114 1HB LEU 114 20.323 20.715 20.003 613 HD11 LEU 114 1HD1 LEU 114 19.317 21.881 23.695 614 HD12 LEU 114 2HD1 LEU 114 19.801 22.936 22.368 615 HD13 LEU 114 3HD1 LEU 114 20.843 21.600 22.856 616 HD21 LEU 114 3HD2 LEU 114 17.234 21.483 20.804 617 HD22 LEU 114 1HD2 LEU 114 18.650 21.768 19.791 618 HD23 LEU 114 2HD2 LEU 114 18.271 22.877 21.110 619 H ASP 115 HN ASP 115 19.236 17.041 18.863 620 HA ASP 115 HA ASP 115 18.089 17.041 16.793 621 HB2 ASP 115 2HB ASP 115 16.094 18.046 18.828 622 HB3 ASP 115 1HB ASP 115 15.635 17.739 17.153 623 H ALA 116 HN ALA 116 19.752 19.308 17.038 624 HA ALA 116 HA ALA 116 20.076 21.267 15.756 625 HB1 ALA 116 1HB ALA 116 18.731 21.478 13.972 626 HB2 ALA 116 2HB ALA 116 17.358 21.867 15.009 627 HB3 ALA 116 3HB ALA 116 17.733 20.183 14.633 628 H ALA 117 HN ALA 117 16.718 21.658 16.930 629 HA ALA 117 HA ALA 117 17.556 23.332 19.135 630 HB1 ALA 117 1HB ALA 117 16.013 25.112 17.484 631 HB2 ALA 117 2HB ALA 117 17.433 24.560 16.595 632 HB3 ALA 117 3HB ALA 117 17.624 25.351 18.160 633 H THR 118 HN THR 118 14.726 23.835 17.040 634 HA THR 118 HA THR 118 12.850 23.821 19.141 635 HB THR 118 HB THR 118 11.136 23.505 17.438 636 HG1 THR 118 1HG THR 118 11.802 21.937 16.143 637 HG21 THR 118 3HG2 THR 118 11.864 25.246 15.807 638 HG22 THR 118 1HG2 THR 118 13.505 25.110 16.439 639 HG23 THR 118 2HG2 THR 118 12.204 25.693 17.478 640 H GLY 119 HN GLY 119 14.539 21.168 17.740 641 HA2 GLY 119 1HA GLY 119 12.759 19.022 18.064 642 HA3 GLY 119 2HA GLY 119 14.500 18.890 18.316 643 H LYS 120 HN LYS 120 12.031 17.846 19.841 644 HA LYS 120 HA LYS 120 11.520 17.414 22.091 645 HB2 LYS 120 2HB LYS 120 14.306 18.562 22.433 646 HB3 LYS 120 1HB LYS 120 13.378 17.823 23.738 647 HG2 LYS 120 2HG LYS 120 13.201 15.739 22.356 648 HG3 LYS 120 1HG LYS 120 14.265 16.485 21.165 649 HD2 LYS 120 2HD LYS 120 15.978 16.785 22.979 650 HD3 LYS 120 1HD LYS 120 14.929 15.866 24.058 651 HE2 LYS 120 2HE LYS 120 16.539 14.326 23.125 652 HE3 LYS 120 1HE LYS 120 14.983 13.989 22.364 653 HZ1 LYS 120 3HZ LYS 120 16.459 15.996 20.968 654 HZ2 LYS 120 1HZ LYS 120 15.773 14.559 20.384 655 HZ3 LYS 120 2HZ LYS 120 17.325 14.539 21.075 656 H SER 121 HN SER 121 10.440 19.752 21.022 657 HA SER 121 HA SER 121 9.739 21.218 23.360 658 HG SER 121 HG SER 121 12.738 23.006 21.350 659 HB2 SER 121 2HB SER 121 10.883 23.346 22.948 660 HB3 SER 121 1HB SER 121 12.073 22.062 23.161 Start of MODEL 16 1 H ALA 35 HN ALA 35 18.807 24.841 28.731 2 HA ALA 35 HA ALA 35 20.220 23.683 26.397 3 HB1 ALA 35 1HB ALA 35 18.431 22.617 25.522 4 HB2 ALA 35 2HB ALA 35 17.380 23.999 25.824 5 HB3 ALA 35 3HB ALA 35 17.658 22.808 27.095 6 HA PRO 36 HA PRO 36 19.134 28.343 26.425 7 HB2 PRO 36 2HB PRO 36 21.640 29.289 26.789 8 HB3 PRO 36 1HB PRO 36 20.540 28.945 28.126 9 HG2 PRO 36 2HG PRO 36 22.780 27.282 27.036 10 HG3 PRO 36 1HG PRO 36 22.354 27.603 28.719 11 HD2 PRO 36 2HD PRO 36 21.681 25.294 27.487 12 HD3 PRO 36 1HD PRO 36 20.662 26.025 28.727 13 H ARG 37 HN ARG 37 21.345 26.193 24.853 14 HA ARG 37 HA ARG 37 21.440 28.065 22.520 15 HE ARG 37 HE ARG 37 26.312 26.281 23.489 16 HB2 ARG 37 2HB ARG 37 23.557 26.127 23.497 17 HB3 ARG 37 1HB ARG 37 23.624 26.955 21.942 18 HG2 ARG 37 2HG ARG 37 23.469 29.140 23.162 19 HG3 ARG 37 1HG ARG 37 23.568 28.252 24.682 20 HD2 ARG 37 2HD ARG 37 25.659 28.300 22.484 21 HD3 ARG 37 1HD ARG 37 25.794 29.047 24.075 22 HH11 ARG 37 1HH1 ARG 37 26.815 28.312 25.914 23 HH12 ARG 37 2HH1 ARG 37 26.233 27.315 27.205 24 HH21 ARG 37 1HH2 ARG 37 24.715 25.016 25.098 25 HH22 ARG 37 2HH2 ARG 37 25.043 25.448 26.742 26 H LYS 38 HN LYS 38 20.849 27.175 20.551 27 HA LYS 38 HA LYS 38 19.980 24.317 20.623 28 HB2 LYS 38 2HB LYS 38 19.091 26.585 18.814 29 HB3 LYS 38 1HB LYS 38 18.487 24.930 18.743 30 HG2 LYS 38 2HG LYS 38 17.782 25.168 21.152 31 HG3 LYS 38 1HG LYS 38 18.215 26.876 21.051 32 HD2 LYS 38 2HD LYS 38 16.622 27.139 19.158 33 HD3 LYS 38 1HD LYS 38 16.154 25.448 19.342 34 HE2 LYS 38 2HE LYS 38 15.897 26.389 21.913 35 HE3 LYS 38 1HE LYS 38 15.407 27.793 20.963 36 HZ1 LYS 38 3HZ LYS 38 13.455 26.793 20.737 37 HZ2 LYS 38 1HZ LYS 38 14.029 25.339 21.394 38 HZ3 LYS 38 2HZ LYS 38 14.217 25.652 19.734 39 H GLY 39 HN GLY 39 19.825 23.826 17.892 40 HA2 GLY 39 1HA GLY 39 22.163 24.631 16.437 41 HA3 GLY 39 2HA GLY 39 22.457 23.081 17.215 42 H ASN 40 HN ASN 40 22.580 22.760 14.639 43 HA ASN 40 HA ASN 40 20.216 21.202 13.970 44 HB2 ASN 40 2HB ASN 40 19.799 23.718 13.300 45 HB3 ASN 40 1HB ASN 40 20.868 23.327 11.953 46 HD21 ASN 40 1HD2 ASN 40 18.919 23.572 10.519 47 HD22 ASN 40 2HD2 ASN 40 17.801 22.299 10.409 48 H THR 41 HN THR 41 20.575 20.508 11.452 49 HA THR 41 HA THR 41 23.492 20.122 11.004 50 HB THR 41 HB THR 41 21.529 17.832 10.792 51 HG1 THR 41 1HG THR 41 22.741 17.230 12.809 52 HG21 THR 41 3HG2 THR 41 23.471 17.365 9.540 53 HG22 THR 41 1HG2 THR 41 23.787 16.600 11.097 54 HG23 THR 41 2HG2 THR 41 24.524 18.155 10.713 55 H LEU 42 HN LEU 42 23.966 19.433 8.772 56 HA LEU 42 HA LEU 42 21.730 19.733 6.846 57 HG LEU 42 HG LEU 42 21.580 21.930 7.793 58 HB2 LEU 42 2HB LEU 42 24.283 21.360 6.654 59 HB3 LEU 42 1HB LEU 42 22.919 21.411 5.538 60 HD11 LEU 42 1HD1 LEU 42 23.343 23.686 8.881 61 HD12 LEU 42 2HD1 LEU 42 24.444 22.392 8.412 62 HD13 LEU 42 3HD1 LEU 42 23.098 22.053 9.501 63 HD21 LEU 42 3HD2 LEU 42 22.687 23.449 5.632 64 HD22 LEU 42 1HD2 LEU 42 22.802 24.414 7.104 65 HD23 LEU 42 2HD2 LEU 42 21.238 23.792 6.576 66 H TYR 43 HN TYR 43 22.095 18.590 4.919 67 HA TYR 43 HA TYR 43 24.549 16.893 4.932 68 HD1 TYR 43 HD1 TYR 43 24.321 13.964 4.567 69 HD2 TYR 43 HD2 TYR 43 22.641 16.229 1.326 70 HE1 TYR 43 HE1 TYR 43 25.403 12.438 2.939 71 HE2 TYR 43 HE2 TYR 43 23.723 14.702 -0.301 72 HH TYR 43 HH TYR 43 24.546 12.122 -0.133 73 HB2 TYR 43 2HB TYR 43 22.518 15.583 4.945 74 HB3 TYR 43 1HB TYR 43 21.845 16.523 3.613 75 H VAL 44 HN VAL 44 26.104 17.800 3.662 76 HA VAL 44 HA VAL 44 25.266 19.211 1.177 77 HB VAL 44 HB VAL 44 27.942 19.139 2.607 78 HG11 VAL 44 1HG1 VAL 44 28.237 21.198 1.011 79 HG12 VAL 44 2HG1 VAL 44 26.973 20.414 0.062 80 HG13 VAL 44 3HG1 VAL 44 28.492 19.573 0.374 81 HG21 VAL 44 3HG2 VAL 44 27.408 21.272 3.461 82 HG22 VAL 44 1HG2 VAL 44 25.899 20.375 3.639 83 HG23 VAL 44 2HG2 VAL 44 26.100 21.506 2.300 84 H TYR 45 HN TYR 45 26.027 18.524 -0.849 85 HA TYR 45 HA TYR 45 27.682 16.043 -0.892 86 HD1 TYR 45 HD1 TYR 45 26.165 16.109 -4.648 87 HD2 TYR 45 HD2 TYR 45 26.645 13.316 -1.419 88 HE1 TYR 45 HE1 TYR 45 27.018 14.412 -6.243 89 HE2 TYR 45 HE2 TYR 45 27.498 11.620 -3.014 90 HH TYR 45 HH TYR 45 27.579 11.093 -5.267 91 HB2 TYR 45 2HB TYR 45 25.332 15.360 -1.140 92 HB3 TYR 45 1HB TYR 45 25.130 16.504 -2.466 93 H GLY 46 HN GLY 46 29.248 16.094 -2.466 94 HA2 GLY 46 1HA GLY 46 29.071 17.370 -4.983 95 HA3 GLY 46 2HA GLY 46 29.791 18.531 -3.867 96 H GLU 47 HN GLU 47 31.685 18.214 -5.399 97 HA GLU 47 HA GLU 47 33.302 15.862 -4.502 98 HB2 GLU 47 2HB GLU 47 33.273 17.168 -7.241 99 HB3 GLU 47 1HB GLU 47 34.383 15.892 -6.741 100 HG2 GLU 47 2HG GLU 47 32.398 14.441 -6.244 101 HG3 GLU 47 1HG GLU 47 31.362 15.701 -6.916 102 H ASP 48 HN ASP 48 35.642 16.292 -4.441 103 HA ASP 48 HA ASP 48 37.378 17.638 -3.576 104 HB2 ASP 48 2HB ASP 48 36.376 19.443 -5.800 105 HB3 ASP 48 1HB ASP 48 37.981 19.484 -5.070 106 H MET 49 HN MET 49 35.172 17.922 -1.964 107 HA MET 49 HA MET 49 34.791 20.854 -1.616 108 HB2 MET 49 2HB MET 49 33.356 18.494 -0.371 109 HB3 MET 49 1HB MET 49 32.988 20.184 -0.031 110 HG2 MET 49 2HG MET 49 32.566 20.521 -2.483 111 HG3 MET 49 1HG MET 49 32.781 18.785 -2.714 112 HE1 MET 49 3HE MET 49 31.247 17.805 0.287 113 HE2 MET 49 1HE MET 49 31.780 17.130 -1.258 114 HE3 MET 49 2HE MET 49 30.075 17.091 -0.818 115 H THR 50 HN THR 50 35.500 21.892 0.252 116 HA THR 50 HA THR 50 37.021 20.198 2.194 117 HB THR 50 HB THR 50 38.239 22.590 2.460 118 HG1 THR 50 1HG THR 50 37.522 23.789 0.888 119 HG21 THR 50 3HG2 THR 50 40.060 21.574 1.458 120 HG22 THR 50 1HG2 THR 50 39.100 20.931 0.126 121 HG23 THR 50 2HG2 THR 50 39.028 20.167 1.713 122 HA PRO 51 HA PRO 51 34.723 22.045 5.493 123 HB2 PRO 51 2HB PRO 51 36.600 22.617 7.351 124 HB3 PRO 51 1HB PRO 51 36.086 20.970 6.980 125 HG2 PRO 51 2HG PRO 51 38.515 22.452 6.054 126 HG3 PRO 51 1HG PRO 51 38.372 20.777 6.591 127 HD2 PRO 51 1HD PRO 51 38.496 21.457 3.970 128 HD3 PRO 51 2HD PRO 51 37.599 20.050 4.543 129 H THR 52 HN THR 52 37.767 23.927 5.199 130 HA THR 52 HA THR 52 36.783 26.370 6.172 131 HB THR 52 HB THR 52 38.738 26.058 3.873 132 HG1 THR 52 1HG THR 52 40.282 25.849 5.459 133 HG21 THR 52 3HG2 THR 52 38.454 28.193 6.005 134 HG22 THR 52 1HG2 THR 52 37.929 28.362 4.330 135 HG23 THR 52 2HG2 THR 52 39.643 28.175 4.702 136 H LEU 53 HN LEU 53 36.744 25.160 2.809 137 HA LEU 53 HA LEU 53 35.462 27.422 1.655 138 HG LEU 53 HG LEU 53 33.595 26.297 -0.145 139 HB2 LEU 53 2HB LEU 53 36.487 25.561 0.345 140 HB3 LEU 53 1HB LEU 53 35.157 24.515 0.839 141 HD11 LEU 53 1HD1 LEU 53 34.444 28.018 -1.435 142 HD12 LEU 53 2HD1 LEU 53 35.916 27.132 -1.835 143 HD13 LEU 53 3HD1 LEU 53 35.740 27.878 -0.247 144 HD21 LEU 53 3HD2 LEU 53 35.385 25.132 -2.262 145 HD22 LEU 53 1HD2 LEU 53 33.624 25.230 -2.227 146 HD23 LEU 53 2HD2 LEU 53 34.462 24.060 -1.209 147 H LEU 54 HN LEU 54 34.044 24.388 2.918 148 HA LEU 54 HA LEU 54 31.329 25.046 2.486 149 HG LEU 54 HG LEU 54 32.728 22.865 2.136 150 HB2 LEU 54 2HB LEU 54 32.584 23.456 4.746 151 HB3 LEU 54 1HB LEU 54 30.859 23.481 4.380 152 HD11 LEU 54 1HD1 LEU 54 33.125 21.522 4.490 153 HD12 LEU 54 2HD1 LEU 54 33.420 20.832 2.894 154 HD13 LEU 54 3HD1 LEU 54 31.895 20.518 3.722 155 HD21 LEU 54 3HD2 LEU 54 30.879 21.495 1.411 156 HD22 LEU 54 1HD2 LEU 54 30.210 23.033 1.955 157 HD23 LEU 54 2HD2 LEU 54 30.106 21.610 2.992 158 H ARG 55 HN ARG 55 33.362 25.676 5.362 159 HA ARG 55 HA ARG 55 31.485 26.949 6.993 160 HE ARG 55 HE ARG 55 36.094 24.566 9.096 161 HB2 ARG 55 2HB ARG 55 34.403 27.641 6.545 162 HB3 ARG 55 1HB ARG 55 33.425 28.313 7.849 163 HG2 ARG 55 2HG ARG 55 32.954 26.007 8.651 164 HG3 ARG 55 1HG ARG 55 33.999 25.371 7.382 165 HD2 ARG 55 2HD ARG 55 35.854 26.822 8.331 166 HD3 ARG 55 1HD ARG 55 34.794 27.149 9.702 167 HH11 ARG 55 1HH1 ARG 55 33.446 26.116 10.631 168 HH12 ARG 55 2HH1 ARG 55 33.489 25.108 12.038 169 HH21 ARG 55 1HH2 ARG 55 36.318 23.373 11.035 170 HH22 ARG 55 2HH2 ARG 55 35.114 23.556 12.266 171 H GLY 56 HN GLY 56 33.215 28.252 4.189 172 HA2 GLY 56 2HA GLY 56 32.282 30.963 4.527 173 HA3 GLY 56 1HA GLY 56 32.943 30.285 3.039 174 H ALA 57 HN ALA 57 31.009 28.109 2.871 175 HA ALA 57 HA ALA 57 28.850 29.567 1.570 176 HB1 ALA 57 1HB ALA 57 28.634 26.637 2.115 177 HB2 ALA 57 2HB ALA 57 29.934 27.180 1.055 178 HB3 ALA 57 3HB ALA 57 28.257 27.535 0.645 179 H PHE 58 HN PHE 58 29.371 28.155 4.696 180 HA PHE 58 HA PHE 58 26.483 28.603 5.348 181 HD1 PHE 58 HD1 PHE 58 24.942 26.236 5.723 182 HD2 PHE 58 HD2 PHE 58 29.041 25.453 4.711 183 HE1 PHE 58 HE1 PHE 58 24.207 24.548 4.063 184 HE2 PHE 58 HE2 PHE 58 28.307 23.766 3.047 185 HZ PHE 58 HZ PHE 58 25.890 23.313 2.724 186 HB2 PHE 58 2HB PHE 58 28.481 26.743 6.676 187 HB3 PHE 58 1HB PHE 58 26.808 26.969 7.182 188 H SER 59 HN SER 59 29.264 30.180 5.511 189 HA SER 59 HA SER 59 29.445 30.819 8.342 190 HG SER 59 HG SER 59 30.472 33.290 8.139 191 HB2 SER 59 2HB SER 59 31.483 31.249 7.393 192 HB3 SER 59 1HB SER 59 30.782 31.687 5.836 193 HA PRO 60 HA PRO 60 27.352 34.962 6.910 194 HB2 PRO 60 2HB PRO 60 26.130 34.975 4.500 195 HB3 PRO 60 1HB PRO 60 27.820 35.433 4.728 196 HG2 PRO 60 2HG PRO 60 26.666 32.848 3.760 197 HG3 PRO 60 1HG PRO 60 28.071 33.734 3.160 198 HD2 PRO 60 2HD PRO 60 28.290 31.576 4.782 199 HD3 PRO 60 1HD PRO 60 29.461 32.895 4.798 200 H PHE 61 HN PHE 61 25.807 31.956 5.794 201 HA PHE 61 HA PHE 61 23.107 32.829 6.168 202 HD1 PHE 61 HD1 PHE 61 21.371 31.431 4.528 203 HD2 PHE 61 HD2 PHE 61 25.497 30.303 4.135 204 HE1 PHE 61 HE1 PHE 61 21.188 31.622 2.062 205 HE2 PHE 61 HE2 PHE 61 25.314 30.493 1.668 206 HZ PHE 61 HZ PHE 61 23.160 31.153 0.633 207 HB2 PHE 61 2HB PHE 61 24.382 30.087 6.241 208 HB3 PHE 61 1HB PHE 61 22.643 30.333 6.393 209 H GLY 62 HN GLY 62 25.477 31.417 8.391 210 HA2 GLY 62 1HA GLY 62 24.305 32.583 10.702 211 HA3 GLY 62 2HA GLY 62 23.711 30.927 10.573 212 H ASN 63 HN ASN 63 25.084 31.094 12.747 213 HA ASN 63 HA ASN 63 27.971 30.681 12.231 214 HB2 ASN 63 2HB ASN 63 26.411 30.736 14.833 215 HB3 ASN 63 1HB ASN 63 28.167 30.650 14.693 216 HD21 ASN 63 1HD2 ASN 63 26.463 32.855 15.869 217 HD22 ASN 63 2HD2 ASN 63 26.892 34.253 15.008 218 H ILE 64 HN ILE 64 28.963 28.685 12.410 219 HA ILE 64 HA ILE 64 27.141 26.353 12.721 220 HB ILE 64 HB ILE 64 30.006 26.435 11.724 221 HG12 ILE 64 2HG1 ILE 64 27.525 26.126 10.033 222 HG13 ILE 64 1HG1 ILE 64 28.194 27.718 10.388 223 HG21 ILE 64 1HG2 ILE 64 29.847 24.187 11.454 224 HG22 ILE 64 2HG2 ILE 64 28.183 24.287 10.878 225 HG23 ILE 64 3HG2 ILE 64 28.518 24.290 12.609 226 HD11 ILE 64 3HD1 ILE 64 29.331 25.505 8.730 227 HD12 ILE 64 1HD1 ILE 64 30.458 26.526 9.623 228 HD13 ILE 64 2HD1 ILE 64 29.358 27.246 8.448 229 H ILE 65 HN ILE 65 27.447 24.849 14.363 230 HA ILE 65 HA ILE 65 29.434 25.615 16.449 231 HB ILE 65 HB ILE 65 28.044 24.430 18.020 232 HG12 ILE 65 2HG1 ILE 65 26.432 23.514 15.617 233 HG13 ILE 65 1HG1 ILE 65 27.535 22.498 16.546 234 HG21 ILE 65 1HG2 ILE 65 26.900 26.414 16.184 235 HG22 ILE 65 2HG2 ILE 65 26.868 26.368 17.946 236 HG23 ILE 65 3HG2 ILE 65 25.678 25.454 17.018 237 HD11 ILE 65 3HD1 ILE 65 24.825 23.488 17.246 238 HD12 ILE 65 1HD1 ILE 65 26.007 23.492 18.555 239 HD13 ILE 65 2HD1 ILE 65 25.630 21.989 17.712 240 H ASP 66 HN ASP 66 28.696 23.181 14.119 241 HA ASP 66 HA ASP 66 31.104 21.687 14.938 242 HB2 ASP 66 2HB ASP 66 29.205 20.653 16.214 243 HB3 ASP 66 1HB ASP 66 28.425 20.287 14.675 244 H LEU 67 HN LEU 67 32.189 21.185 13.093 245 HA LEU 67 HA LEU 67 30.621 21.107 10.550 246 HG LEU 67 HG LEU 67 32.667 20.575 8.794 247 HB2 LEU 67 2HB LEU 67 32.291 22.913 10.634 248 HB3 LEU 67 1HB LEU 67 33.555 21.739 10.999 249 HD11 LEU 67 1HD1 LEU 67 32.245 22.876 7.335 250 HD12 LEU 67 2HD1 LEU 67 31.359 23.209 8.824 251 HD13 LEU 67 3HD1 LEU 67 30.976 21.775 7.873 252 HD21 LEU 67 3HD2 LEU 67 34.880 21.207 8.658 253 HD22 LEU 67 1HD2 LEU 67 34.553 22.851 9.206 254 HD23 LEU 67 2HD2 LEU 67 34.192 22.388 7.543 255 H SER 68 HN SER 68 30.443 19.119 9.655 256 HA SER 68 HA SER 68 32.610 17.134 10.216 257 HG SER 68 HG SER 68 30.772 14.494 10.762 258 HB2 SER 68 2HB SER 68 30.680 16.455 11.498 259 HB3 SER 68 1HB SER 68 29.613 16.704 10.116 260 H MET 69 HN MET 69 33.330 15.988 8.432 261 HA MET 69 HA MET 69 31.878 16.462 5.861 262 HB2 MET 69 2HB MET 69 34.877 16.469 6.327 263 HB3 MET 69 1HB MET 69 34.103 16.553 4.745 264 HG2 MET 69 2HG MET 69 32.895 18.619 5.522 265 HG3 MET 69 1HG MET 69 33.858 18.566 6.999 266 HE1 MET 69 3HE MET 69 33.603 18.623 3.382 267 HE2 MET 69 1HE MET 69 35.167 17.854 3.081 268 HE3 MET 69 2HE MET 69 34.947 19.570 2.748 269 H ASP 70 HN ASP 70 32.008 14.712 4.346 270 HA ASP 70 HA ASP 70 33.120 12.172 5.461 271 HB2 ASP 70 2HB ASP 70 30.644 12.237 5.701 272 HB3 ASP 70 1HB ASP 70 30.506 12.475 3.960 273 HA PRO 71 HA PRO 71 34.982 12.657 1.340 274 HB2 PRO 71 2HB PRO 71 37.152 11.141 1.861 275 HB3 PRO 71 1HB PRO 71 37.020 12.841 2.311 276 HG2 PRO 71 2HG PRO 71 36.749 10.407 3.995 277 HG3 PRO 71 1HG PRO 71 37.412 11.986 4.409 278 HD2 PRO 71 2HD PRO 71 34.887 11.113 5.122 279 HD3 PRO 71 1HD PRO 71 35.381 12.803 5.042 280 HA PRO 72 HA PRO 72 34.770 7.835 0.824 281 HB2 PRO 72 2HB PRO 72 33.177 6.494 2.532 282 HB3 PRO 72 1HB PRO 72 34.900 6.737 2.823 283 HG2 PRO 72 2HG PRO 72 32.558 8.157 3.996 284 HG3 PRO 72 1HG PRO 72 34.075 7.685 4.761 285 HD2 PRO 72 1HD PRO 72 33.513 10.226 3.909 286 HD3 PRO 72 2HD PRO 72 35.143 9.586 4.084 287 H ARG 73 HN ARG 73 32.087 9.824 1.839 288 HA ARG 73 HA ARG 73 30.345 8.413 -0.141 289 HE ARG 73 HE ARG 73 29.166 6.216 4.188 290 HB2 ARG 73 2HB ARG 73 29.613 10.084 2.280 291 HB3 ARG 73 1HB ARG 73 28.444 9.468 1.110 292 HG2 ARG 73 2HG ARG 73 29.275 7.151 1.585 293 HG3 ARG 73 1HG ARG 73 30.306 7.821 2.849 294 HD2 ARG 73 2HD ARG 73 28.212 8.815 3.882 295 HD3 ARG 73 1HD ARG 73 27.279 7.860 2.729 296 HH11 ARG 73 1HH1 ARG 73 26.050 6.172 3.387 297 HH12 ARG 73 2HH1 ARG 73 25.399 5.819 4.953 298 HH21 ARG 73 1HH2 ARG 73 28.366 6.469 6.625 299 HH22 ARG 73 2HH2 ARG 73 26.711 5.988 6.786 300 H ASN 74 HN ASN 74 32.272 11.071 0.140 301 HA ASN 74 HA ASN 74 32.409 13.069 -1.081 302 HB2 ASN 74 2HB ASN 74 30.235 11.707 -2.702 303 HB3 ASN 74 1HB ASN 74 31.099 13.162 -3.196 304 HD21 ASN 74 1HD2 ASN 74 31.249 10.764 -4.753 305 HD22 ASN 74 2HD2 ASN 74 32.832 10.156 -4.655 306 H CYS 75 HN CYS 75 30.814 13.088 1.258 307 HA CYS 75 HA CYS 75 28.929 15.262 0.533 308 HG CYS 75 HG CYS 75 28.117 12.528 3.547 309 HB2 CYS 75 2HB CYS 75 27.197 14.292 2.051 310 HB3 CYS 75 1HB CYS 75 27.510 13.277 0.643 311 H ALA 76 HN ALA 76 28.649 16.783 2.229 312 HA ALA 76 HA ALA 76 30.421 16.342 4.601 313 HB1 ALA 76 1HB ALA 76 31.522 18.028 3.379 314 HB2 ALA 76 2HB ALA 76 30.555 18.943 4.536 315 HB3 ALA 76 3HB ALA 76 30.007 18.773 2.868 316 H PHE 77 HN PHE 77 29.631 17.159 6.604 317 HA PHE 77 HA PHE 77 26.712 17.817 6.572 318 HD1 PHE 77 HD1 PHE 77 29.169 14.777 7.121 319 HD2 PHE 77 HD2 PHE 77 24.982 15.558 7.680 320 HE1 PHE 77 HE1 PHE 77 28.619 12.651 5.968 321 HE2 PHE 77 HE2 PHE 77 24.432 13.431 6.526 322 HZ PHE 77 HZ PHE 77 26.250 11.979 5.671 323 HB2 PHE 77 2HB PHE 77 28.364 16.477 8.736 324 HB3 PHE 77 1HB PHE 77 26.646 16.857 8.856 325 H VAL 78 HN VAL 78 26.061 19.681 7.631 326 HA VAL 78 HA VAL 78 28.202 21.211 9.052 327 HB VAL 78 HB VAL 78 25.979 22.324 7.319 328 HG11 VAL 78 1HG1 VAL 78 28.161 23.569 8.992 329 HG12 VAL 78 2HG1 VAL 78 26.436 23.936 8.991 330 HG13 VAL 78 3HG1 VAL 78 27.443 24.431 7.631 331 HG21 VAL 78 3HG2 VAL 78 27.414 21.785 5.646 332 HG22 VAL 78 1HG2 VAL 78 28.732 21.455 6.771 333 HG23 VAL 78 2HG2 VAL 78 28.404 23.110 6.258 334 H THR 79 HN THR 79 27.555 22.302 10.940 335 HA THR 79 HA THR 79 24.798 21.631 11.895 336 HB THR 79 HB THR 79 27.024 22.355 13.773 337 HG1 THR 79 1HG THR 79 26.624 19.844 12.522 338 HG21 THR 79 3HG2 THR 79 25.774 21.081 15.324 339 HG22 THR 79 1HG2 THR 79 24.896 20.236 14.049 340 HG23 THR 79 2HG2 THR 79 24.553 21.934 14.382 341 H TYR 80 HN TYR 80 23.489 23.353 12.375 342 HA TYR 80 HA TYR 80 24.773 26.055 12.400 343 HD1 TYR 80 HD1 TYR 80 24.611 27.917 11.622 344 HD2 TYR 80 HD2 TYR 80 22.508 25.370 8.880 345 HE1 TYR 80 HE1 TYR 80 25.718 29.055 9.718 346 HE2 TYR 80 HE2 TYR 80 23.609 26.509 6.975 347 HH TYR 80 HH TYR 80 24.868 28.271 6.365 348 HB2 TYR 80 2HB TYR 80 22.306 24.994 11.176 349 HB3 TYR 80 1HB TYR 80 22.113 26.545 11.996 350 H GLU 81 HN GLU 81 24.545 27.278 14.220 351 HA GLU 81 HA GLU 81 23.809 26.322 16.702 352 HB2 GLU 81 2HB GLU 81 24.849 28.568 16.220 353 HB3 GLU 81 1HB GLU 81 23.242 29.157 15.791 354 HG2 GLU 81 2HG GLU 81 22.426 28.545 18.047 355 HG3 GLU 81 1HG GLU 81 24.042 27.981 18.474 356 H LYS 82 HN LYS 82 21.663 27.306 14.127 357 HA LYS 82 HA LYS 82 19.371 26.393 15.787 358 HB2 LYS 82 2HB LYS 82 19.334 28.965 14.175 359 HB3 LYS 82 1HB LYS 82 18.018 28.317 15.154 360 HG2 LYS 82 2HG LYS 82 19.594 28.449 17.148 361 HG3 LYS 82 1HG LYS 82 20.689 29.368 16.114 362 HD2 LYS 82 2HD LYS 82 17.792 30.149 16.492 363 HD3 LYS 82 1HD LYS 82 19.070 30.741 17.553 364 HE2 LYS 82 2HE LYS 82 19.086 31.037 14.534 365 HE3 LYS 82 1HE LYS 82 18.561 32.297 15.651 366 HZ1 LYS 82 3HZ LYS 82 20.671 32.891 15.837 367 HZ2 LYS 82 1HZ LYS 82 21.187 31.581 14.891 368 HZ3 LYS 82 2HZ LYS 82 21.011 31.397 16.570 369 H MET 83 HN MET 83 17.432 25.983 14.384 370 HA MET 83 HA MET 83 18.274 24.653 11.921 371 HB2 MET 83 2HB MET 83 15.430 25.008 12.873 372 HB3 MET 83 1HB MET 83 16.100 23.700 11.896 373 HG2 MET 83 2HG MET 83 17.539 23.058 13.848 374 HG3 MET 83 1HG MET 83 16.710 24.279 14.812 375 HE1 MET 83 3HE MET 83 15.677 21.186 16.334 376 HE2 MET 83 1HE MET 83 17.189 21.765 15.620 377 HE3 MET 83 2HE MET 83 16.357 20.371 14.931 378 H GLU 84 HN GLU 84 17.175 27.768 12.746 379 HA GLU 84 HA GLU 84 15.746 28.357 10.284 380 HB2 GLU 84 2HB GLU 84 17.009 30.145 12.383 381 HB3 GLU 84 1HB GLU 84 16.069 30.748 11.017 382 HG2 GLU 84 2HG GLU 84 14.162 29.294 11.777 383 HG3 GLU 84 1HG GLU 84 15.104 28.894 13.214 384 H SER 85 HN SER 85 19.073 28.827 11.444 385 HA SER 85 HA SER 85 19.992 30.254 9.120 386 HG SER 85 HG SER 85 22.407 29.918 8.947 387 HB2 SER 85 2HB SER 85 21.368 30.381 11.061 388 HB3 SER 85 1HB SER 85 21.400 28.628 11.245 389 H ALA 86 HN ALA 86 19.878 26.814 9.977 390 HA ALA 86 HA ALA 86 21.275 25.931 7.599 391 HB1 ALA 86 1HB ALA 86 20.326 24.740 9.974 392 HB2 ALA 86 2HB ALA 86 21.216 23.948 8.673 393 HB3 ALA 86 3HB ALA 86 19.453 23.945 8.663 394 H ASP 87 HN ASP 87 17.994 26.815 8.331 395 HA ASP 87 HA ASP 87 16.770 25.427 6.097 396 HB2 ASP 87 2HB ASP 87 15.921 27.610 7.982 397 HB3 ASP 87 1HB ASP 87 14.951 27.264 6.551 398 H GLN 88 HN GLN 88 17.775 28.817 6.642 399 HA GLN 88 HA GLN 88 17.093 29.680 3.979 400 HB2 GLN 88 2HB GLN 88 17.353 31.281 5.826 401 HB3 GLN 88 1HB GLN 88 19.057 30.852 5.972 402 HG2 GLN 88 2HG GLN 88 19.398 31.591 3.607 403 HG3 GLN 88 1HG GLN 88 17.721 32.133 3.574 404 HE21 GLN 88 1HE2 GLN 88 19.458 34.161 3.136 405 HE22 GLN 88 2HE2 GLN 88 19.678 35.121 4.518 406 H ALA 89 HN ALA 89 20.070 28.436 5.457 407 HA ALA 89 HA ALA 89 21.734 28.925 3.153 408 HB1 ALA 89 1HB ALA 89 21.952 27.274 5.642 409 HB2 ALA 89 2HB ALA 89 23.019 28.546 5.047 410 HB3 ALA 89 3HB ALA 89 23.066 26.942 4.316 411 H VAL 90 HN VAL 90 19.847 26.116 4.255 412 HA VAL 90 HA VAL 90 20.705 24.309 2.218 413 HB VAL 90 HB VAL 90 18.112 24.489 3.774 414 HG11 VAL 90 1HG1 VAL 90 19.121 22.184 2.083 415 HG12 VAL 90 2HG1 VAL 90 17.859 23.303 1.569 416 HG13 VAL 90 3HG1 VAL 90 17.597 22.261 2.968 417 HG21 VAL 90 3HG2 VAL 90 19.170 23.270 5.367 418 HG22 VAL 90 1HG2 VAL 90 20.659 23.797 4.583 419 HG23 VAL 90 2HG2 VAL 90 19.952 22.233 4.174 420 H ALA 91 HN ALA 91 18.245 26.836 2.250 421 HA ALA 91 HA ALA 91 17.126 26.042 -0.329 422 HB1 ALA 91 1HB ALA 91 16.743 28.813 0.683 423 HB2 ALA 91 2HB ALA 91 16.135 27.509 1.705 424 HB3 ALA 91 3HB ALA 91 15.557 27.673 0.046 425 H GLU 92 HN GLU 92 19.203 28.723 0.807 426 HA GLU 92 HA GLU 92 19.610 29.754 -1.872 427 HB2 GLU 92 2HB GLU 92 21.201 30.228 0.666 428 HB3 GLU 92 1HB GLU 92 21.319 31.180 -0.813 429 HG2 GLU 92 2HG GLU 92 18.764 30.819 0.778 430 HG3 GLU 92 1HG GLU 92 19.827 32.220 0.915 431 H LEU 93 HN LEU 93 21.556 27.725 0.326 432 HA LEU 93 HA LEU 93 23.797 27.527 -1.482 433 HG LEU 93 HG LEU 93 23.370 27.881 1.659 434 HB2 LEU 93 2HB LEU 93 22.933 25.700 0.779 435 HB3 LEU 93 1HB LEU 93 24.498 25.638 -0.031 436 HD11 LEU 93 1HD1 LEU 93 25.283 25.726 2.021 437 HD12 LEU 93 2HD1 LEU 93 24.617 26.835 3.221 438 HD13 LEU 93 3HD1 LEU 93 26.042 27.296 2.289 439 HD21 LEU 93 3HD2 LEU 93 25.390 27.925 -0.520 440 HD22 LEU 93 1HD2 LEU 93 25.833 28.764 0.967 441 HD23 LEU 93 2HD2 LEU 93 24.371 29.225 0.096 442 H ASN 94 HN ASN 94 20.917 25.519 -0.927 443 HA ASN 94 HA ASN 94 21.742 23.446 -2.776 444 HB2 ASN 94 2HB ASN 94 20.036 23.174 -0.924 445 HB3 ASN 94 1HB ASN 94 18.919 24.111 -1.916 446 HD21 ASN 94 1HD2 ASN 94 17.877 21.714 -1.576 447 HD22 ASN 94 2HD2 ASN 94 18.177 20.648 -2.861 448 H GLY 95 HN GLY 95 21.814 23.682 -4.952 449 HA2 GLY 95 2HA GLY 95 20.669 24.108 -7.063 450 HA3 GLY 95 1HA GLY 95 19.737 25.372 -6.259 451 H THR 96 HN THR 96 23.180 25.094 -5.717 452 HA THR 96 HA THR 96 23.598 27.488 -7.462 453 HB THR 96 HB THR 96 24.957 28.507 -5.808 454 HG1 THR 96 1HG THR 96 24.776 26.187 -4.212 455 HG21 THR 96 3HG2 THR 96 23.197 29.078 -4.534 456 HG22 THR 96 1HG2 THR 96 23.260 27.524 -3.701 457 HG23 THR 96 2HG2 THR 96 22.318 27.692 -5.183 458 H GLN 97 HN GLN 97 25.753 27.650 -8.377 459 HA GLN 97 HA GLN 97 27.307 25.098 -8.265 460 HB2 GLN 97 2HB GLN 97 25.962 25.335 -10.384 461 HB3 GLN 97 1HB GLN 97 26.890 26.791 -10.744 462 HG2 GLN 97 2HG GLN 97 28.974 25.495 -10.711 463 HG3 GLN 97 1HG GLN 97 28.076 24.036 -10.291 464 HE21 GLN 97 1HE2 GLN 97 29.517 23.838 -12.614 465 HE22 GLN 97 2HE2 GLN 97 28.508 23.945 -13.974 466 H VAL 98 HN VAL 98 29.521 25.365 -8.098 467 HA VAL 98 HA VAL 98 30.492 28.059 -7.501 468 HB VAL 98 HB VAL 98 32.364 25.748 -7.814 469 HG11 VAL 98 1HG1 VAL 98 32.575 28.284 -6.810 470 HG12 VAL 98 2HG1 VAL 98 33.625 26.945 -6.343 471 HG13 VAL 98 3HG1 VAL 98 32.232 27.364 -5.345 472 HG21 VAL 98 3HG2 VAL 98 30.156 25.957 -5.761 473 HG22 VAL 98 1HG2 VAL 98 31.646 25.072 -5.434 474 HG23 VAL 98 2HG2 VAL 98 30.594 24.567 -6.757 475 H GLU 99 HN GLU 99 33.203 27.446 -8.613 476 HA GLU 99 HA GLU 99 32.938 28.804 -11.117 477 HB2 GLU 99 2HB GLU 99 35.223 27.138 -10.018 478 HB3 GLU 99 1HB GLU 99 35.336 28.175 -11.440 479 HG2 GLU 99 2HG GLU 99 34.668 30.121 -10.033 480 HG3 GLU 99 1HG GLU 99 34.658 29.067 -8.620 481 H SER 100 HN SER 100 33.281 25.365 -10.299 482 HA SER 100 HA SER 100 32.117 24.653 -12.899 483 HG SER 100 HG SER 100 33.881 24.110 -14.794 484 HB2 SER 100 2HB SER 100 35.001 24.283 -12.254 485 HB3 SER 100 1HB SER 100 34.184 22.936 -13.047 486 H VAL 101 HN VAL 101 31.626 24.351 -9.931 487 HA VAL 101 HA VAL 101 31.130 21.417 -10.010 488 HB VAL 101 HB VAL 101 32.295 22.905 -7.635 489 HG11 VAL 101 1HG1 VAL 101 30.734 21.135 -6.966 490 HG12 VAL 101 2HG1 VAL 101 32.391 20.634 -6.627 491 HG13 VAL 101 3HG1 VAL 101 31.547 19.993 -8.036 492 HG21 VAL 101 3HG2 VAL 101 33.457 21.300 -9.838 493 HG22 VAL 101 1HG2 VAL 101 34.026 20.889 -8.221 494 HG23 VAL 101 2HG2 VAL 101 34.209 22.535 -8.828 495 H GLN 102 HN GLN 102 29.199 20.814 -8.964 496 HA GLN 102 HA GLN 102 27.454 23.101 -8.194 497 HB2 GLN 102 2HB GLN 102 26.732 21.514 -10.028 498 HB3 GLN 102 1HB GLN 102 26.637 20.249 -8.803 499 HG2 GLN 102 2HG GLN 102 25.057 21.698 -7.507 500 HG3 GLN 102 1HG GLN 102 25.079 22.848 -8.844 501 HE21 GLN 102 1HE2 GLN 102 23.423 22.533 -10.337 502 HE22 GLN 102 2HE2 GLN 102 22.639 21.057 -10.628 503 H LEU 103 HN LEU 103 26.562 23.203 -6.144 504 HA LEU 103 HA LEU 103 27.436 21.080 -4.229 505 HG LEU 103 HG LEU 103 28.873 23.548 -4.899 506 HB2 LEU 103 2HB LEU 103 26.680 23.971 -3.696 507 HB3 LEU 103 1HB LEU 103 27.208 22.808 -2.480 508 HD11 LEU 103 1HD1 LEU 103 28.969 24.636 -2.067 509 HD12 LEU 103 2HD1 LEU 103 28.552 25.546 -3.519 510 HD13 LEU 103 3HD1 LEU 103 30.193 24.934 -3.301 511 HD21 LEU 103 3HD2 LEU 103 30.128 21.820 -4.185 512 HD22 LEU 103 1HD2 LEU 103 29.056 21.569 -2.807 513 HD23 LEU 103 2HD2 LEU 103 30.408 22.693 -2.678 514 H LYS 104 HN LYS 104 25.878 20.136 -2.883 515 HA LYS 104 HA LYS 104 23.051 20.993 -3.359 516 HB2 LYS 104 2HB LYS 104 24.132 18.171 -3.086 517 HB3 LYS 104 1HB LYS 104 22.420 18.588 -3.160 518 HG2 LYS 104 2HG LYS 104 22.811 19.658 -5.377 519 HG3 LYS 104 1HG LYS 104 24.493 19.135 -5.306 520 HD2 LYS 104 2HD LYS 104 23.677 16.768 -5.079 521 HD3 LYS 104 1HD LYS 104 22.036 17.358 -5.344 522 HE2 LYS 104 2HE LYS 104 22.636 16.805 -7.518 523 HE3 LYS 104 1HE LYS 104 23.145 18.493 -7.470 524 HZ1 LYS 104 3HZ LYS 104 25.342 17.925 -7.308 525 HZ2 LYS 104 1HZ LYS 104 24.774 16.658 -8.282 526 HZ3 LYS 104 2HZ LYS 104 25.027 16.404 -6.621 527 H VAL 105 HN VAL 105 22.061 21.569 -1.490 528 HA VAL 105 HA VAL 105 23.255 20.604 1.073 529 HB VAL 105 HB VAL 105 21.390 22.959 0.685 530 HG11 VAL 105 1HG1 VAL 105 21.402 22.387 2.963 531 HG12 VAL 105 2HG1 VAL 105 22.686 23.592 2.862 532 HG13 VAL 105 3HG1 VAL 105 23.090 21.876 2.921 533 HG21 VAL 105 3HG2 VAL 105 23.917 23.965 1.206 534 HG22 VAL 105 1HG2 VAL 105 23.134 23.945 -0.374 535 HG23 VAL 105 2HG2 VAL 105 24.243 22.650 0.075 536 H ASN 106 HN ASN 106 21.839 19.810 2.711 537 HA ASN 106 HA ASN 106 18.970 19.561 2.147 538 HB2 ASN 106 2HB ASN 106 20.803 17.146 2.172 539 HB3 ASN 106 1HB ASN 106 19.049 17.046 2.335 540 HD21 ASN 106 1HD2 ASN 106 21.256 16.494 0.053 541 HD22 ASN 106 2HD2 ASN 106 20.463 17.080 -1.329 542 H ILE 107 HN ILE 107 18.355 17.572 3.989 543 HA ILE 107 HA ILE 107 19.369 18.804 6.514 544 HB ILE 107 HB ILE 107 16.843 17.182 6.096 545 HG12 ILE 107 2HG1 ILE 107 16.620 19.207 4.811 546 HG13 ILE 107 1HG1 ILE 107 15.732 19.450 6.316 547 HG21 ILE 107 1HG2 ILE 107 17.764 17.232 8.407 548 HG22 ILE 107 2HG2 ILE 107 16.225 18.086 8.289 549 HG23 ILE 107 3HG2 ILE 107 17.734 18.994 8.359 550 HD11 ILE 107 3HD1 ILE 107 16.954 21.392 6.363 551 HD12 ILE 107 1HD1 ILE 107 18.250 20.722 5.373 552 HD13 ILE 107 2HD1 ILE 107 18.163 20.334 7.092 553 H ALA 108 HN ALA 108 20.651 17.550 7.781 554 HA ALA 108 HA ALA 108 20.803 14.641 7.158 555 HB1 ALA 108 1HB ALA 108 22.786 16.549 7.569 556 HB2 ALA 108 2HB ALA 108 23.019 14.800 7.592 557 HB3 ALA 108 3HB ALA 108 22.733 15.673 9.099 558 H ARG 109 HN ARG 109 21.219 13.232 9.171 559 HA ARG 109 HA ARG 109 19.022 13.185 10.873 560 HE ARG 109 HE ARG 109 20.680 9.065 13.055 561 HB2 ARG 109 2HB ARG 109 21.864 12.310 11.470 562 HB3 ARG 109 1HB ARG 109 20.466 11.873 12.453 563 HG2 ARG 109 2HG ARG 109 19.416 10.860 10.420 564 HG3 ARG 109 1HG ARG 109 20.897 11.199 9.527 565 HD2 ARG 109 2HD ARG 109 21.135 8.949 10.250 566 HD3 ARG 109 1HD ARG 109 22.108 9.885 11.385 567 HH11 ARG 109 1HH1 ARG 109 18.384 10.760 12.155 568 HH12 ARG 109 2HH1 ARG 109 17.157 9.577 11.846 569 HH21 ARG 109 1HH2 ARG 109 19.374 6.913 11.749 570 HH22 ARG 109 2HH2 ARG 109 17.717 7.400 11.616 571 H LYS 110 HN LYS 110 18.649 13.937 13.039 572 HA LYS 110 HA LYS 110 19.756 16.579 13.560 573 HB2 LYS 110 2HB LYS 110 17.902 14.804 15.175 574 HB3 LYS 110 1HB LYS 110 18.324 16.458 15.619 575 HG2 LYS 110 2HG LYS 110 17.465 17.205 13.375 576 HG3 LYS 110 1HG LYS 110 16.902 15.557 13.096 577 HD2 LYS 110 2HD LYS 110 15.564 15.727 15.217 578 HD3 LYS 110 1HD LYS 110 16.028 17.425 15.319 579 HE2 LYS 110 2HE LYS 110 14.119 17.757 14.112 580 HE3 LYS 110 1HE LYS 110 15.136 17.301 12.746 581 HZ1 LYS 110 3HZ LYS 110 14.460 14.939 13.283 582 HZ2 LYS 110 1HZ LYS 110 13.263 15.932 12.607 583 HZ3 LYS 110 2HZ LYS 110 13.254 15.607 14.276 584 H GLN 111 HN GLN 111 21.767 16.779 14.413 585 HA GLN 111 HA GLN 111 23.252 14.740 15.677 586 HB2 GLN 111 2HB GLN 111 24.811 16.433 16.297 587 HB3 GLN 111 1HB GLN 111 24.087 16.995 14.792 588 HG2 GLN 111 2HG GLN 111 23.260 17.853 17.583 589 HG3 GLN 111 1HG GLN 111 24.190 18.820 16.442 590 HE21 GLN 111 1HE2 GLN 111 23.039 19.933 14.792 591 HE22 GLN 111 2HE2 GLN 111 21.353 19.850 14.609 592 HA PRO 112 HA PRO 112 21.054 14.503 19.575 593 HB2 PRO 112 2HB PRO 112 22.686 12.698 20.745 594 HB3 PRO 112 1HB PRO 112 21.493 12.258 19.521 595 HG2 PRO 112 2HG PRO 112 24.441 12.677 19.238 596 HG3 PRO 112 1HG PRO 112 23.416 11.437 18.508 597 HD2 PRO 112 1HD PRO 112 24.261 13.642 17.155 598 HD3 PRO 112 2HD PRO 112 22.741 12.822 16.800 599 H MET 113 HN MET 113 24.525 15.102 19.295 600 HA MET 113 HA MET 113 25.248 15.702 21.905 601 HB2 MET 113 2HB MET 113 26.560 17.693 20.709 602 HB3 MET 113 1HB MET 113 27.021 16.011 20.455 603 HG2 MET 113 2HG MET 113 26.473 16.113 18.267 604 HG3 MET 113 1HG MET 113 24.896 16.814 18.631 605 HE1 MET 113 3HE MET 113 24.248 18.733 18.905 606 HE2 MET 113 1HE MET 113 24.734 20.012 17.784 607 HE3 MET 113 2HE MET 113 25.220 20.087 19.476 608 H LEU 114 HN LEU 114 22.999 17.442 19.880 609 HA LEU 114 HA LEU 114 22.399 19.209 22.181 610 HG LEU 114 HG LEU 114 21.404 21.290 21.595 611 HB2 LEU 114 2HB LEU 114 23.979 20.510 20.822 612 HB3 LEU 114 1HB LEU 114 22.984 20.239 19.390 613 HD11 LEU 114 1HD1 LEU 114 22.604 23.648 21.042 614 HD12 LEU 114 2HD1 LEU 114 24.004 22.579 20.941 615 HD13 LEU 114 3HD1 LEU 114 23.054 22.652 22.426 616 HD21 LEU 114 3HD2 LEU 114 20.507 22.638 19.884 617 HD22 LEU 114 1HD2 LEU 114 21.022 21.192 19.016 618 HD23 LEU 114 2HD2 LEU 114 22.017 22.647 18.975 619 H ASP 115 HN ASP 115 21.116 16.950 20.613 620 HA ASP 115 HA ASP 115 19.032 16.454 19.616 621 HB2 ASP 115 2HB ASP 115 18.258 18.628 21.586 622 HB3 ASP 115 1HB ASP 115 17.145 17.470 20.858 623 H ALA 116 HN ALA 116 20.605 18.550 18.228 624 HA ALA 116 HA ALA 116 20.290 20.095 16.493 625 HB1 ALA 116 1HB ALA 116 18.113 19.935 15.294 626 HB2 ALA 116 2HB ALA 116 17.512 18.889 16.579 627 HB3 ALA 116 3HB ALA 116 18.852 18.357 15.563 628 H ALA 117 HN ALA 117 16.920 20.384 17.480 629 HA ALA 117 HA ALA 117 17.239 22.573 19.280 630 HB1 ALA 117 1HB ALA 117 16.438 23.487 16.519 631 HB2 ALA 117 2HB ALA 117 18.117 23.552 17.062 632 HB3 ALA 117 3HB ALA 117 16.878 24.478 17.910 633 H THR 118 HN THR 118 15.535 20.201 18.728 634 HA THR 118 HA THR 118 12.896 21.582 18.507 635 HB THR 118 HB THR 118 11.962 19.522 17.714 636 HG1 THR 118 1HG THR 118 13.029 18.104 19.083 637 HG21 THR 118 3HG2 THR 118 14.619 19.388 16.356 638 HG22 THR 118 1HG2 THR 118 13.720 20.903 16.266 639 HG23 THR 118 2HG2 THR 118 13.001 19.413 15.655 640 H GLY 119 HN GLY 119 11.173 20.687 19.940 641 HA2 GLY 119 1HA GLY 119 10.491 19.487 21.929 642 HA3 GLY 119 2HA GLY 119 12.191 19.292 22.359 643 H LYS 120 HN LYS 120 10.453 20.232 24.285 644 HA LYS 120 HA LYS 120 10.110 23.047 24.426 645 HB2 LYS 120 2HB LYS 120 9.074 21.409 26.000 646 HB3 LYS 120 1HB LYS 120 10.659 21.151 26.729 647 HG2 LYS 120 2HG LYS 120 10.776 23.575 27.273 648 HG3 LYS 120 1HG LYS 120 9.159 23.785 26.602 649 HD2 LYS 120 2HD LYS 120 8.329 22.077 28.254 650 HD3 LYS 120 1HD LYS 120 9.933 22.082 28.988 651 HE2 LYS 120 2HE LYS 120 8.094 24.478 28.708 652 HE3 LYS 120 1HE LYS 120 8.446 23.612 30.204 653 HZ1 LYS 120 3HZ LYS 120 10.045 25.147 30.411 654 HZ2 LYS 120 1HZ LYS 120 10.052 25.535 28.760 655 HZ3 LYS 120 2HZ LYS 120 10.905 24.176 29.315 656 H SER 121 HN SER 121 12.871 20.996 25.300 657 HA SER 121 HA SER 121 14.814 22.996 24.816 658 HG SER 121 HG SER 121 14.242 22.824 28.783 659 HB2 SER 121 2HB SER 121 15.167 24.088 26.800 660 HB3 SER 121 1HB SER 121 13.457 23.731 27.038 Start of MODEL 17 1 H ALA 35 HN ALA 35 21.849 20.166 24.687 2 HA ALA 35 HA ALA 35 23.716 21.687 26.387 3 HB1 ALA 35 1HB ALA 35 24.079 20.840 23.919 4 HB2 ALA 35 2HB ALA 35 24.711 22.414 24.405 5 HB3 ALA 35 3HB ALA 35 23.205 22.310 23.493 6 HA PRO 36 HA PRO 36 21.013 25.138 27.062 7 HB2 PRO 36 2HB PRO 36 22.826 27.133 27.258 8 HB3 PRO 36 1HB PRO 36 22.584 25.927 28.525 9 HG2 PRO 36 2HG PRO 36 24.689 26.048 26.396 10 HG3 PRO 36 1HG PRO 36 24.863 25.650 28.108 11 HD2 PRO 36 2HD PRO 36 24.783 23.743 26.197 12 HD3 PRO 36 1HD PRO 36 24.123 23.478 27.811 13 H ARG 37 HN ARG 37 22.809 24.750 24.221 14 HA ARG 37 HA ARG 37 21.434 27.116 23.010 15 HE ARG 37 HE ARG 37 26.041 26.430 22.787 16 HB2 ARG 37 2HB ARG 37 24.171 25.995 22.333 17 HB3 ARG 37 1HB ARG 37 23.359 27.279 21.437 18 HG2 ARG 37 2HG ARG 37 23.264 28.626 23.538 19 HG3 ARG 37 1HG ARG 37 24.182 27.363 24.357 20 HD2 ARG 37 2HD ARG 37 25.100 29.009 21.981 21 HD3 ARG 37 1HD ARG 37 25.718 29.110 23.630 22 HH11 ARG 37 1HH1 ARG 37 28.153 28.494 23.719 23 HH12 ARG 37 2HH1 ARG 37 29.230 28.469 22.362 24 HH21 ARG 37 1HH2 ARG 37 26.977 26.867 20.269 25 HH22 ARG 37 2HH2 ARG 37 28.563 27.548 20.409 26 H LYS 38 HN LYS 38 20.500 26.758 20.962 27 HA LYS 38 HA LYS 38 19.874 23.967 20.360 28 HB2 LYS 38 2HB LYS 38 19.184 26.387 18.681 29 HB3 LYS 38 1HB LYS 38 18.341 24.838 18.745 30 HG2 LYS 38 2HG LYS 38 17.814 25.298 21.158 31 HG3 LYS 38 1HG LYS 38 18.516 26.903 20.958 32 HD2 LYS 38 2HD LYS 38 16.878 27.441 19.224 33 HD3 LYS 38 1HD LYS 38 16.212 25.810 19.316 34 HE2 LYS 38 2HE LYS 38 16.344 27.140 21.926 35 HE3 LYS 38 1HE LYS 38 15.316 27.989 20.771 36 HZ1 LYS 38 3HZ LYS 38 14.660 25.393 20.387 37 HZ2 LYS 38 1HZ LYS 38 13.783 26.495 21.331 38 HZ3 LYS 38 2HZ LYS 38 14.911 25.459 22.067 39 H GLY 39 HN GLY 39 19.767 24.018 17.550 40 HA2 GLY 39 1HA GLY 39 22.145 24.870 16.254 41 HA3 GLY 39 2HA GLY 39 22.420 23.240 16.859 42 H ASN 40 HN ASN 40 22.563 22.645 14.542 43 HA ASN 40 HA ASN 40 20.204 21.401 13.582 44 HB2 ASN 40 2HB ASN 40 19.678 23.912 13.190 45 HB3 ASN 40 1HB ASN 40 20.863 23.809 11.889 46 HD21 ASN 40 1HD2 ASN 40 18.610 24.319 10.709 47 HD22 ASN 40 2HD2 ASN 40 17.765 22.952 10.164 48 H THR 41 HN THR 41 21.217 19.689 12.669 49 HA THR 41 HA THR 41 23.849 19.978 11.415 50 HB THR 41 HB THR 41 22.020 17.559 11.486 51 HG1 THR 41 1HG THR 41 22.543 18.350 13.567 52 HG21 THR 41 3HG2 THR 41 24.148 16.327 11.182 53 HG22 THR 41 1HG2 THR 41 25.004 17.864 11.056 54 HG23 THR 41 2HG2 THR 41 23.820 17.411 9.830 55 H LEU 42 HN LEU 42 24.250 20.055 9.217 56 HA LEU 42 HA LEU 42 21.861 19.878 7.423 57 HG LEU 42 HG LEU 42 23.576 22.295 8.978 58 HB2 LEU 42 2HB LEU 42 24.298 21.522 6.773 59 HB3 LEU 42 1HB LEU 42 22.654 21.688 6.156 60 HD11 LEU 42 1HD1 LEU 42 23.965 24.362 8.178 61 HD12 LEU 42 2HD1 LEU 42 22.272 24.473 7.696 62 HD13 LEU 42 3HD1 LEU 42 23.472 23.847 6.565 63 HD21 LEU 42 3HD2 LEU 42 21.142 21.324 8.369 64 HD22 LEU 42 1HD2 LEU 42 20.865 23.023 7.984 65 HD23 LEU 42 2HD2 LEU 42 21.380 22.558 9.606 66 H TYR 43 HN TYR 43 22.325 19.091 5.240 67 HA TYR 43 HA TYR 43 24.751 17.337 5.166 68 HD1 TYR 43 HD1 TYR 43 24.532 14.470 5.117 69 HD2 TYR 43 HD2 TYR 43 22.873 16.388 1.650 70 HE1 TYR 43 HE1 TYR 43 25.684 12.828 3.659 71 HE2 TYR 43 HE2 TYR 43 24.025 14.746 0.191 72 HH TYR 43 HH TYR 43 24.900 12.240 0.579 73 HB2 TYR 43 2HB TYR 43 22.643 16.056 5.292 74 HB3 TYR 43 1HB TYR 43 22.042 16.901 3.865 75 H VAL 44 HN VAL 44 26.190 17.958 3.632 76 HA VAL 44 HA VAL 44 25.144 19.496 1.287 77 HB VAL 44 HB VAL 44 27.886 19.624 2.579 78 HG11 VAL 44 1HG1 VAL 44 26.771 20.579 0.021 79 HG12 VAL 44 2HG1 VAL 44 28.453 20.339 0.495 80 HG13 VAL 44 3HG1 VAL 44 27.609 21.818 0.955 81 HG21 VAL 44 3HG2 VAL 44 26.265 20.714 3.994 82 HG22 VAL 44 1HG2 VAL 44 25.500 21.493 2.609 83 HG23 VAL 44 2HG2 VAL 44 27.120 21.978 3.110 84 H TYR 45 HN TYR 45 25.588 18.671 -0.721 85 HA TYR 45 HA TYR 45 27.475 16.350 -0.851 86 HD1 TYR 45 HD1 TYR 45 26.051 16.446 -4.603 87 HD2 TYR 45 HD2 TYR 45 26.434 13.605 -1.405 88 HE1 TYR 45 HE1 TYR 45 26.960 14.775 -6.196 89 HE2 TYR 45 HE2 TYR 45 27.342 11.934 -2.997 90 HH TYR 45 HH TYR 45 28.465 11.889 -5.168 91 HB2 TYR 45 2HB TYR 45 25.125 15.641 -1.125 92 HB3 TYR 45 1HB TYR 45 24.932 16.794 -2.446 93 H GLY 46 HN GLY 46 28.919 16.340 -2.591 94 HA2 GLY 46 1HA GLY 46 28.719 17.820 -4.980 95 HA3 GLY 46 2HA GLY 46 29.537 18.862 -3.817 96 H GLU 47 HN GLU 47 31.155 18.353 -5.784 97 HA GLU 47 HA GLU 47 32.759 15.945 -5.027 98 HB2 GLU 47 2HB GLU 47 32.783 17.522 -7.620 99 HB3 GLU 47 1HB GLU 47 33.724 16.069 -7.284 100 HG2 GLU 47 2HG GLU 47 31.612 14.809 -6.929 101 HG3 GLU 47 1HG GLU 47 30.696 16.262 -7.328 102 H ASP 48 HN ASP 48 35.089 16.228 -4.921 103 HA ASP 48 HA ASP 48 36.916 17.393 -3.988 104 HB2 ASP 48 2HB ASP 48 36.060 19.402 -6.094 105 HB3 ASP 48 1HB ASP 48 37.670 19.248 -5.387 106 H MET 49 HN MET 49 34.818 17.736 -2.304 107 HA MET 49 HA MET 49 34.540 20.660 -1.843 108 HB2 MET 49 2HB MET 49 33.132 18.264 -0.644 109 HB3 MET 49 1HB MET 49 32.866 19.921 -0.105 110 HG2 MET 49 2HG MET 49 32.298 20.503 -2.503 111 HG3 MET 49 1HG MET 49 32.337 18.777 -2.860 112 HE1 MET 49 3HE MET 49 31.450 17.854 0.125 113 HE2 MET 49 1HE MET 49 30.990 17.011 -1.360 114 HE3 MET 49 2HE MET 49 29.761 17.458 -0.180 115 H THR 50 HN THR 50 35.353 21.636 0.025 116 HA THR 50 HA THR 50 36.955 19.870 1.833 117 HB THR 50 HB THR 50 38.278 22.219 2.030 118 HG1 THR 50 1HG THR 50 38.461 22.825 -0.297 119 HG21 THR 50 3HG2 THR 50 39.717 21.207 0.064 120 HG22 THR 50 1HG2 THR 50 38.590 19.858 0.210 121 HG23 THR 50 2HG2 THR 50 39.573 20.339 1.592 122 HA PRO 51 HA PRO 51 34.943 21.775 5.284 123 HB2 PRO 51 2HB PRO 51 36.959 22.249 7.020 124 HB3 PRO 51 1HB PRO 51 36.351 20.628 6.673 125 HG2 PRO 51 2HG PRO 51 38.772 22.021 5.590 126 HG3 PRO 51 1HG PRO 51 38.604 20.350 6.141 127 HD2 PRO 51 1HD PRO 51 38.577 21.012 3.517 128 HD3 PRO 51 2HD PRO 51 37.645 19.658 4.156 129 H THR 52 HN THR 52 37.994 23.519 4.578 130 HA THR 52 HA THR 52 37.231 25.998 5.721 131 HB THR 52 HB THR 52 38.970 25.606 3.266 132 HG1 THR 52 1HG THR 52 39.483 25.371 6.035 133 HG21 THR 52 3HG2 THR 52 38.806 27.893 3.441 134 HG22 THR 52 1HG2 THR 52 40.090 27.627 4.621 135 HG23 THR 52 2HG2 THR 52 38.424 27.840 5.161 136 H LEU 53 HN LEU 53 36.819 24.804 2.380 137 HA LEU 53 HA LEU 53 35.587 27.143 1.330 138 HG LEU 53 HG LEU 53 33.435 26.059 -0.182 139 HB2 LEU 53 2HB LEU 53 36.354 25.300 -0.107 140 HB3 LEU 53 1HB LEU 53 35.123 24.239 0.580 141 HD11 LEU 53 1HD1 LEU 53 34.973 26.817 -2.467 142 HD12 LEU 53 2HD1 LEU 53 35.911 27.215 -1.027 143 HD13 LEU 53 3HD1 LEU 53 34.283 27.863 -1.226 144 HD21 LEU 53 3HD2 LEU 53 33.654 25.144 -2.622 145 HD22 LEU 53 1HD2 LEU 53 33.309 24.009 -1.316 146 HD23 LEU 53 2HD2 LEU 53 34.949 24.152 -1.950 147 H LEU 54 HN LEU 54 34.086 24.206 2.723 148 HA LEU 54 HA LEU 54 31.394 25.056 2.520 149 HG LEU 54 HG LEU 54 32.277 22.859 1.914 150 HB2 LEU 54 2HB LEU 54 32.764 23.301 4.573 151 HB3 LEU 54 1HB LEU 54 31.016 23.521 4.500 152 HD11 LEU 54 1HD1 LEU 54 33.033 20.734 2.386 153 HD12 LEU 54 2HD1 LEU 54 31.934 20.534 3.751 154 HD13 LEU 54 3HD1 LEU 54 33.401 21.496 3.934 155 HD21 LEU 54 3HD2 LEU 54 30.206 21.078 2.850 156 HD22 LEU 54 1HD2 LEU 54 30.145 22.244 1.528 157 HD23 LEU 54 2HD2 LEU 54 29.743 22.750 3.169 158 H ARG 55 HN ARG 55 33.670 25.456 5.255 159 HA ARG 55 HA ARG 55 32.053 26.816 7.057 160 HE ARG 55 HE ARG 55 34.856 27.832 9.682 161 HB2 ARG 55 2HB ARG 55 34.945 27.335 6.322 162 HB3 ARG 55 1HB ARG 55 34.148 28.100 7.697 163 HG2 ARG 55 2HG ARG 55 33.599 25.843 8.594 164 HG3 ARG 55 1HG ARG 55 34.479 25.117 7.251 165 HD2 ARG 55 2HD ARG 55 36.013 25.188 9.091 166 HD3 ARG 55 1HD ARG 55 36.496 26.486 7.999 167 HH11 ARG 55 1HH1 ARG 55 35.076 25.784 11.785 168 HH12 ARG 55 2HH1 ARG 55 36.491 26.267 12.658 169 HH21 ARG 55 1HH2 ARG 55 37.660 28.342 10.137 170 HH22 ARG 55 2HH2 ARG 55 37.955 27.716 11.725 171 H GLY 56 HN GLY 56 33.660 28.149 4.175 172 HA2 GLY 56 2HA GLY 56 32.789 30.863 4.635 173 HA3 GLY 56 1HA GLY 56 33.373 30.220 3.100 174 H ALA 57 HN ALA 57 31.431 28.107 2.864 175 HA ALA 57 HA ALA 57 29.235 29.619 1.725 176 HB1 ALA 57 1HB ALA 57 30.232 27.268 1.054 177 HB2 ALA 57 2HB ALA 57 28.512 27.589 0.837 178 HB3 ALA 57 3HB ALA 57 29.068 26.665 2.233 179 H PHE 58 HN PHE 58 29.865 28.190 4.809 180 HA PHE 58 HA PHE 58 27.006 28.638 5.578 181 HD1 PHE 58 HD1 PHE 58 29.205 25.646 4.450 182 HD2 PHE 58 HD2 PHE 58 25.436 26.167 6.445 183 HE1 PHE 58 HE1 PHE 58 28.153 24.036 2.884 184 HE2 PHE 58 HE2 PHE 58 24.385 24.557 4.878 185 HZ PHE 58 HZ PHE 58 25.744 23.491 3.098 186 HB2 PHE 58 2HB PHE 58 29.050 26.694 6.692 187 HB3 PHE 58 1HB PHE 58 27.480 26.999 7.433 188 H SER 59 HN SER 59 29.842 30.156 5.676 189 HA SER 59 HA SER 59 30.118 30.767 8.500 190 HG SER 59 HG SER 59 31.336 33.153 8.395 191 HB2 SER 59 2HB SER 59 32.119 31.169 7.442 192 HB3 SER 59 1HB SER 59 31.344 31.714 5.954 193 HA PRO 60 HA PRO 60 28.011 34.955 7.201 194 HB2 PRO 60 2HB PRO 60 26.717 35.003 4.828 195 HB3 PRO 60 1HB PRO 60 28.413 35.458 5.012 196 HG2 PRO 60 2HG PRO 60 27.236 32.873 4.065 197 HG3 PRO 60 1HG PRO 60 28.602 33.779 3.408 198 HD2 PRO 60 2HD PRO 60 28.943 31.621 4.989 199 HD3 PRO 60 1HD PRO 60 30.068 32.978 5.008 200 H PHE 61 HN PHE 61 26.474 31.931 6.172 201 HA PHE 61 HA PHE 61 23.769 32.801 6.618 202 HD1 PHE 61 HD1 PHE 61 21.888 31.387 5.157 203 HD2 PHE 61 HD2 PHE 61 25.984 30.391 4.339 204 HE1 PHE 61 HE1 PHE 61 21.464 31.642 2.727 205 HE2 PHE 61 HE2 PHE 61 25.562 30.645 1.909 206 HZ PHE 61 HZ PHE 61 23.301 31.269 1.102 207 HB2 PHE 61 2HB PHE 61 25.084 30.084 6.534 208 HB3 PHE 61 1HB PHE 61 23.360 30.272 6.856 209 H GLY 62 HN GLY 62 26.279 31.533 8.734 210 HA2 GLY 62 1HA GLY 62 25.257 32.590 11.105 211 HA3 GLY 62 2HA GLY 62 24.517 30.996 10.967 212 H ASN 63 HN ASN 63 26.033 31.117 13.094 213 HA ASN 63 HA ASN 63 28.836 30.445 12.474 214 HB2 ASN 63 2HB ASN 63 28.098 31.816 14.496 215 HB3 ASN 63 1HB ASN 63 27.463 30.314 15.168 216 HD21 ASN 63 1HD2 ASN 63 28.943 29.229 16.473 217 HD22 ASN 63 2HD2 ASN 63 30.631 29.329 16.329 218 H ILE 64 HN ILE 64 29.634 28.373 12.427 219 HA ILE 64 HA ILE 64 27.666 26.176 12.713 220 HB ILE 64 HB ILE 64 30.525 26.116 11.702 221 HG12 ILE 64 2HG1 ILE 64 28.055 25.904 9.998 222 HG13 ILE 64 1HG1 ILE 64 28.687 27.490 10.439 223 HG21 ILE 64 1HG2 ILE 64 30.043 23.908 10.943 224 HG22 ILE 64 2HG2 ILE 64 28.317 24.100 11.252 225 HG23 ILE 64 3HG2 ILE 64 29.445 23.969 12.602 226 HD11 ILE 64 3HD1 ILE 64 30.968 26.153 9.661 227 HD12 ILE 64 1HD1 ILE 64 30.038 27.240 8.629 228 HD13 ILE 64 2HD1 ILE 64 29.760 25.500 8.554 229 H ILE 65 HN ILE 65 27.747 24.730 14.394 230 HA ILE 65 HA ILE 65 29.833 25.193 16.456 231 HB ILE 65 HB ILE 65 28.362 24.012 17.976 232 HG12 ILE 65 2HG1 ILE 65 26.654 23.427 15.536 233 HG13 ILE 65 1HG1 ILE 65 27.651 22.247 16.387 234 HG21 ILE 65 1HG2 ILE 65 26.368 25.563 16.379 235 HG22 ILE 65 2HG2 ILE 65 27.797 26.418 16.959 236 HG23 ILE 65 3HG2 ILE 65 26.716 25.628 18.107 237 HD11 ILE 65 3HD1 ILE 65 26.085 21.967 17.990 238 HD12 ILE 65 1HD1 ILE 65 24.990 22.899 16.969 239 HD13 ILE 65 2HD1 ILE 65 25.929 23.708 18.225 240 H ASP 66 HN ASP 66 28.875 22.913 14.041 241 HA ASP 66 HA ASP 66 31.088 21.130 14.927 242 HB2 ASP 66 2HB ASP 66 28.882 20.185 15.687 243 HB3 ASP 66 1HB ASP 66 28.389 20.112 13.996 244 H LEU 67 HN LEU 67 32.441 20.768 13.235 245 HA LEU 67 HA LEU 67 31.320 21.048 10.475 246 HG LEU 67 HG LEU 67 34.077 22.912 9.100 247 HB2 LEU 67 2HB LEU 67 32.872 22.902 11.155 248 HB3 LEU 67 1HB LEU 67 34.142 21.698 11.360 249 HD11 LEU 67 1HD1 LEU 67 35.134 21.107 8.201 250 HD12 LEU 67 2HD1 LEU 67 33.758 20.040 8.480 251 HD13 LEU 67 3HD1 LEU 67 34.879 20.395 9.793 252 HD21 LEU 67 3HD2 LEU 67 31.498 22.608 9.032 253 HD22 LEU 67 1HD2 LEU 67 31.856 20.974 8.471 254 HD23 LEU 67 2HD2 LEU 67 32.401 22.368 7.536 255 H SER 68 HN SER 68 31.164 18.974 9.726 256 HA SER 68 HA SER 68 33.542 17.202 10.131 257 HG SER 68 HG SER 68 31.142 15.616 12.088 258 HB2 SER 68 2HB SER 68 30.597 16.493 10.047 259 HB3 SER 68 1HB SER 68 31.888 15.295 9.941 260 H MET 69 HN MET 69 34.152 15.923 8.317 261 HA MET 69 HA MET 69 32.827 16.699 5.747 262 HB2 MET 69 2HB MET 69 35.776 16.215 6.275 263 HB3 MET 69 1HB MET 69 35.071 16.516 4.688 264 HG2 MET 69 2HG MET 69 34.853 18.416 7.041 265 HG3 MET 69 1HG MET 69 36.035 18.576 5.741 266 HE1 MET 69 3HE MET 69 33.915 17.456 3.199 267 HE2 MET 69 1HE MET 69 35.446 18.321 3.386 268 HE3 MET 69 2HE MET 69 34.079 19.103 2.597 269 H ASP 70 HN ASP 70 32.632 15.024 4.191 270 HA ASP 70 HA ASP 70 33.442 12.301 5.114 271 HB2 ASP 70 2HB ASP 70 30.863 13.121 5.232 272 HB3 ASP 70 1HB ASP 70 30.916 12.533 3.570 273 HA PRO 71 HA PRO 71 35.001 12.893 0.853 274 HB2 PRO 71 2HB PRO 71 37.193 11.350 1.165 275 HB3 PRO 71 1HB PRO 71 37.124 13.049 1.629 276 HG2 PRO 71 2HG PRO 71 36.984 10.615 3.325 277 HG3 PRO 71 1HG PRO 71 37.700 12.184 3.679 278 HD2 PRO 71 1HD PRO 71 35.243 11.338 4.625 279 HD3 PRO 71 2HD PRO 71 35.746 13.022 4.501 280 HA PRO 72 HA PRO 72 34.675 8.073 0.352 281 HB2 PRO 72 2HB PRO 72 33.233 6.752 2.203 282 HB3 PRO 72 1HB PRO 72 34.980 6.968 2.326 283 HG2 PRO 72 2HG PRO 72 32.784 8.415 3.725 284 HG3 PRO 72 1HG PRO 72 34.364 7.922 4.336 285 HD2 PRO 72 1HD PRO 72 33.748 10.472 3.545 286 HD3 PRO 72 2HD PRO 72 35.379 9.813 3.563 287 H ARG 73 HN ARG 73 32.111 10.064 1.661 288 HA ARG 73 HA ARG 73 30.176 8.696 -0.164 289 HE ARG 73 HE ARG 73 28.834 6.204 4.049 290 HB2 ARG 73 2HB ARG 73 29.656 10.410 2.287 291 HB3 ARG 73 1HB ARG 73 28.408 9.698 1.263 292 HG2 ARG 73 2HG ARG 73 29.350 7.437 1.761 293 HG3 ARG 73 1HG ARG 73 30.498 8.191 2.866 294 HD2 ARG 73 2HD ARG 73 28.526 9.175 4.104 295 HD3 ARG 73 1HD ARG 73 27.476 8.184 3.092 296 HH11 ARG 73 1HH1 ARG 73 27.351 8.727 5.713 297 HH12 ARG 73 2HH1 ARG 73 27.967 8.291 7.271 298 HH21 ARG 73 1HH2 ARG 73 30.085 5.837 6.038 299 HH22 ARG 73 2HH2 ARG 73 29.515 6.654 7.456 300 H ASN 74 HN ASN 74 32.146 11.346 -0.030 301 HA ASN 74 HA ASN 74 32.186 13.357 -1.237 302 HB2 ASN 74 2HB ASN 74 29.850 12.085 -2.695 303 HB3 ASN 74 1HB ASN 74 30.795 13.460 -3.263 304 HD21 ASN 74 1HD2 ASN 74 33.244 11.962 -1.947 305 HD22 ASN 74 2HD2 ASN 74 33.670 10.836 -3.138 306 H CYS 75 HN CYS 75 30.864 13.447 1.214 307 HA CYS 75 HA CYS 75 28.956 15.634 0.697 308 HG CYS 75 HG CYS 75 27.720 12.951 3.676 309 HB2 CYS 75 2HB CYS 75 27.157 14.674 2.000 310 HB3 CYS 75 1HB CYS 75 27.595 13.513 0.747 311 H ALA 76 HN ALA 76 28.915 17.110 2.408 312 HA ALA 76 HA ALA 76 30.750 16.467 4.682 313 HB1 ALA 76 1HB ALA 76 29.966 19.234 3.745 314 HB2 ALA 76 2HB ALA 76 31.356 18.372 3.084 315 HB3 ALA 76 3HB ALA 76 31.308 18.785 4.797 316 H PHE 77 HN PHE 77 30.119 17.332 6.792 317 HA PHE 77 HA PHE 77 27.160 17.720 7.019 318 HD1 PHE 77 HD1 PHE 77 25.584 15.657 7.902 319 HD2 PHE 77 HD2 PHE 77 29.713 14.532 7.525 320 HE1 PHE 77 HE1 PHE 77 24.912 13.581 6.723 321 HE2 PHE 77 HE2 PHE 77 29.040 12.456 6.345 322 HZ PHE 77 HZ PHE 77 26.640 11.981 5.945 323 HB2 PHE 77 2HB PHE 77 29.088 16.364 8.928 324 HB3 PHE 77 1HB PHE 77 27.396 16.701 9.298 325 H VAL 78 HN VAL 78 26.585 19.673 7.839 326 HA VAL 78 HA VAL 78 28.583 21.115 9.534 327 HB VAL 78 HB VAL 78 26.726 22.329 7.469 328 HG11 VAL 78 1HG1 VAL 78 27.812 24.430 8.021 329 HG12 VAL 78 2HG1 VAL 78 28.903 23.614 9.141 330 HG13 VAL 78 3HG1 VAL 78 27.180 23.722 9.508 331 HG21 VAL 78 3HG2 VAL 78 29.597 21.502 7.454 332 HG22 VAL 78 1HG2 VAL 78 29.171 23.002 6.628 333 HG23 VAL 78 2HG2 VAL 78 28.418 21.483 6.143 334 H THR 79 HN THR 79 27.767 21.660 11.497 335 HA THR 79 HA THR 79 24.807 21.535 11.848 336 HB THR 79 HB THR 79 27.018 21.391 13.921 337 HG1 THR 79 1HG THR 79 26.944 19.531 12.694 338 HG21 THR 79 3HG2 THR 79 24.635 20.351 14.945 339 HG22 THR 79 1HG2 THR 79 24.144 21.810 14.085 340 HG23 THR 79 2HG2 THR 79 25.358 21.907 15.358 341 H TYR 80 HN TYR 80 23.748 23.431 12.194 342 HA TYR 80 HA TYR 80 25.365 25.872 12.623 343 HD1 TYR 80 HD1 TYR 80 25.460 27.735 11.829 344 HD2 TYR 80 HD2 TYR 80 22.696 25.649 9.288 345 HE1 TYR 80 HE1 TYR 80 26.546 28.727 9.832 346 HE2 TYR 80 HE2 TYR 80 23.781 26.640 7.291 347 HH TYR 80 HH TYR 80 25.236 28.212 6.581 348 HB2 TYR 80 2HB TYR 80 22.641 25.266 11.593 349 HB3 TYR 80 1HB TYR 80 22.830 26.793 12.455 350 H GLU 81 HN GLU 81 24.211 27.521 14.175 351 HA GLU 81 HA GLU 81 23.925 26.133 16.766 352 HB2 GLU 81 2HB GLU 81 25.411 28.113 16.574 353 HB3 GLU 81 1HB GLU 81 24.018 29.098 16.130 354 HG2 GLU 81 2HG GLU 81 22.954 28.362 18.326 355 HG3 GLU 81 1HG GLU 81 24.526 27.694 18.764 356 H LYS 82 HN LYS 82 21.901 27.429 14.337 357 HA LYS 82 HA LYS 82 19.563 27.029 16.103 358 HB2 LYS 82 2HB LYS 82 20.204 29.655 14.736 359 HB3 LYS 82 1HB LYS 82 18.595 29.244 15.331 360 HG2 LYS 82 2HG LYS 82 19.723 28.756 17.583 361 HG3 LYS 82 1HG LYS 82 21.145 29.566 16.924 362 HD2 LYS 82 2HD LYS 82 19.504 31.494 16.340 363 HD3 LYS 82 1HD LYS 82 18.414 30.714 17.487 364 HE2 LYS 82 2HE LYS 82 20.878 30.758 18.804 365 HE3 LYS 82 1HE LYS 82 20.789 32.326 18.001 366 HZ1 LYS 82 3HZ LYS 82 19.745 32.112 20.297 367 HZ2 LYS 82 1HZ LYS 82 18.504 31.246 19.530 368 HZ3 LYS 82 2HZ LYS 82 18.816 32.854 19.084 369 H MET 83 HN MET 83 18.032 25.961 14.986 370 HA MET 83 HA MET 83 18.267 24.995 12.401 371 HB2 MET 83 2HB MET 83 15.967 24.413 12.493 372 HB3 MET 83 1HB MET 83 16.497 24.421 14.172 373 HG2 MET 83 2HG MET 83 15.110 26.731 12.779 374 HG3 MET 83 1HG MET 83 14.328 25.595 13.877 375 HE1 MET 83 3HE MET 83 14.202 26.885 16.830 376 HE2 MET 83 1HE MET 83 15.558 25.768 17.040 377 HE3 MET 83 2HE MET 83 14.288 25.410 15.872 378 H GLU 84 HN GLU 84 17.331 28.205 13.374 379 HA GLU 84 HA GLU 84 16.049 28.989 10.920 380 HB2 GLU 84 2HB GLU 84 17.528 30.672 12.967 381 HB3 GLU 84 1HB GLU 84 16.470 31.302 11.705 382 HG2 GLU 84 2HG GLU 84 14.562 30.126 12.647 383 HG3 GLU 84 1HG GLU 84 15.595 29.320 13.827 384 H SER 85 HN SER 85 19.313 29.872 12.118 385 HA SER 85 HA SER 85 20.335 31.000 9.791 386 HG SER 85 HG SER 85 22.189 30.858 12.900 387 HB2 SER 85 2HB SER 85 21.911 29.104 11.550 388 HB3 SER 85 1HB SER 85 22.536 30.454 10.602 389 H ALA 86 HN ALA 86 20.028 27.544 10.548 390 HA ALA 86 HA ALA 86 21.435 26.633 8.199 391 HB1 ALA 86 1HB ALA 86 21.142 24.626 9.179 392 HB2 ALA 86 2HB ALA 86 19.389 24.781 9.079 393 HB3 ALA 86 3HB ALA 86 20.256 25.446 10.464 394 H ASP 87 HN ASP 87 18.010 27.283 8.898 395 HA ASP 87 HA ASP 87 16.893 26.233 6.521 396 HB2 ASP 87 2HB ASP 87 15.634 27.157 8.521 397 HB3 ASP 87 1HB ASP 87 15.974 28.771 7.896 398 H GLN 88 HN GLN 88 18.430 29.373 7.135 399 HA GLN 88 HA GLN 88 17.825 30.419 4.493 400 HB2 GLN 88 2HB GLN 88 18.342 31.824 6.534 401 HB3 GLN 88 1HB GLN 88 20.023 31.312 6.379 402 HG2 GLN 88 2HG GLN 88 20.151 32.281 4.143 403 HG3 GLN 88 1HG GLN 88 18.439 32.700 4.196 404 HE21 GLN 88 1HE2 GLN 88 20.191 34.811 3.790 405 HE22 GLN 88 2HE2 GLN 88 20.324 35.755 5.194 406 H ALA 89 HN ALA 89 20.602 28.778 5.974 407 HA ALA 89 HA ALA 89 22.272 29.049 3.610 408 HB1 ALA 89 1HB ALA 89 23.900 28.120 4.904 409 HB2 ALA 89 2HB ALA 89 22.845 26.823 5.466 410 HB3 ALA 89 3HB ALA 89 22.767 28.414 6.224 411 H VAL 90 HN VAL 90 20.240 26.464 4.975 412 HA VAL 90 HA VAL 90 20.904 24.486 3.011 413 HB VAL 90 HB VAL 90 18.455 24.876 4.749 414 HG11 VAL 90 1HG1 VAL 90 17.401 23.302 3.536 415 HG12 VAL 90 2HG1 VAL 90 18.723 22.182 3.866 416 HG13 VAL 90 3HG1 VAL 90 18.775 23.210 2.434 417 HG21 VAL 90 3HG2 VAL 90 20.437 22.641 4.973 418 HG22 VAL 90 1HG2 VAL 90 19.478 23.415 6.235 419 HG23 VAL 90 2HG2 VAL 90 20.893 24.235 5.574 420 H ALA 91 HN ALA 91 18.164 26.782 3.196 421 HA ALA 91 HA ALA 91 17.113 25.999 0.613 422 HB1 ALA 91 1HB ALA 91 16.569 28.706 1.772 423 HB2 ALA 91 2HB ALA 91 15.993 27.289 2.649 424 HB3 ALA 91 3HB ALA 91 15.459 27.578 0.994 425 H GLU 92 HN GLU 92 19.245 28.604 1.745 426 HA GLU 92 HA GLU 92 19.391 29.887 -0.858 427 HB2 GLU 92 2HB GLU 92 19.864 31.030 1.343 428 HB3 GLU 92 1HB GLU 92 21.363 30.106 1.433 429 HG2 GLU 92 2HG GLU 92 21.775 32.332 0.463 430 HG3 GLU 92 1HG GLU 92 22.072 31.071 -0.732 431 H LEU 93 HN LEU 93 21.549 27.698 0.965 432 HA LEU 93 HA LEU 93 23.535 27.572 -1.129 433 HG LEU 93 HG LEU 93 23.505 28.036 1.738 434 HB2 LEU 93 2HB LEU 93 22.950 25.631 1.129 435 HB3 LEU 93 1HB LEU 93 24.407 25.631 0.135 436 HD11 LEU 93 1HD1 LEU 93 24.972 27.381 3.494 437 HD12 LEU 93 2HD1 LEU 93 25.694 26.103 2.516 438 HD13 LEU 93 3HD1 LEU 93 24.042 25.931 3.111 439 HD21 LEU 93 3HD2 LEU 93 26.074 27.245 0.337 440 HD22 LEU 93 1HD2 LEU 93 25.949 28.617 1.438 441 HD23 LEU 93 2HD2 LEU 93 25.015 28.600 -0.058 442 H ASN 94 HN ASN 94 20.698 25.611 -0.302 443 HA ASN 94 HA ASN 94 21.191 23.508 -2.183 444 HB2 ASN 94 2HB ASN 94 19.516 23.405 -0.321 445 HB3 ASN 94 1HB ASN 94 18.505 24.531 -1.225 446 HD21 ASN 94 1HD2 ASN 94 17.225 22.206 -0.831 447 HD22 ASN 94 2HD2 ASN 94 17.269 21.197 -2.195 448 H GLY 95 HN GLY 95 20.969 23.493 -4.376 449 HA2 GLY 95 2HA GLY 95 20.070 24.095 -6.495 450 HA3 GLY 95 1HA GLY 95 19.112 25.346 -5.703 451 H THR 96 HN THR 96 22.571 25.015 -5.179 452 HA THR 96 HA THR 96 22.964 27.533 -6.749 453 HB THR 96 HB THR 96 24.517 28.305 -5.104 454 HG1 THR 96 1HG THR 96 25.331 27.002 -3.549 455 HG21 THR 96 3HG2 THR 96 23.144 28.022 -2.935 456 HG22 THR 96 1HG2 THR 96 22.036 27.067 -3.920 457 HG23 THR 96 2HG2 THR 96 22.336 28.759 -4.319 458 H GLN 97 HN GLN 97 24.991 27.707 -7.866 459 HA GLN 97 HA GLN 97 26.390 25.084 -8.210 460 HB2 GLN 97 2HB GLN 97 25.131 25.815 -10.219 461 HB3 GLN 97 1HB GLN 97 26.048 27.321 -10.232 462 HG2 GLN 97 2HG GLN 97 28.150 26.007 -10.457 463 HG3 GLN 97 1HG GLN 97 27.193 24.527 -10.524 464 HE21 GLN 97 1HE2 GLN 97 28.702 24.937 -12.756 465 HE22 GLN 97 2HE2 GLN 97 27.762 25.506 -14.051 466 H VAL 98 HN VAL 98 28.656 25.112 -8.203 467 HA VAL 98 HA VAL 98 29.866 27.556 -7.059 468 HB VAL 98 HB VAL 98 31.478 25.104 -7.637 469 HG11 VAL 98 1HG1 VAL 98 32.851 26.232 -6.255 470 HG12 VAL 98 2HG1 VAL 98 31.666 26.043 -4.962 471 HG13 VAL 98 3HG1 VAL 98 31.618 27.467 -6.002 472 HG21 VAL 98 3HG2 VAL 98 30.514 24.383 -5.254 473 HG22 VAL 98 1HG2 VAL 98 29.734 23.871 -6.750 474 HG23 VAL 98 2HG2 VAL 98 29.089 25.240 -5.844 475 H GLU 99 HN GLU 99 32.516 27.141 -8.072 476 HA GLU 99 HA GLU 99 32.474 28.689 -10.429 477 HB2 GLU 99 2HB GLU 99 34.585 26.718 -9.496 478 HB3 GLU 99 1HB GLU 99 34.829 27.948 -10.738 479 HG2 GLU 99 2HG GLU 99 34.233 29.702 -9.070 480 HG3 GLU 99 1HG GLU 99 34.093 28.449 -7.837 481 H SER 100 HN SER 100 32.472 25.164 -10.030 482 HA SER 100 HA SER 100 31.371 24.858 -12.723 483 HG SER 100 HG SER 100 33.873 22.265 -13.160 484 HB2 SER 100 2HB SER 100 33.620 24.896 -13.457 485 HB3 SER 100 1HB SER 100 34.185 23.995 -12.050 486 H VAL 101 HN VAL 101 30.802 24.189 -9.832 487 HA VAL 101 HA VAL 101 30.206 21.306 -10.301 488 HB VAL 101 HB VAL 101 31.281 22.443 -7.701 489 HG11 VAL 101 1HG1 VAL 101 30.352 19.703 -8.573 490 HG12 VAL 101 2HG1 VAL 101 29.811 20.644 -7.183 491 HG13 VAL 101 3HG1 VAL 101 31.423 19.928 -7.191 492 HG21 VAL 101 3HG2 VAL 101 32.827 22.051 -9.814 493 HG22 VAL 101 1HG2 VAL 101 32.668 20.357 -9.348 494 HG23 VAL 101 2HG2 VAL 101 33.353 21.522 -8.215 495 H GLN 102 HN GLN 102 28.497 20.551 -8.666 496 HA GLN 102 HA GLN 102 26.608 22.807 -8.120 497 HB2 GLN 102 2HB GLN 102 26.022 19.910 -8.807 498 HB3 GLN 102 1HB GLN 102 24.800 21.106 -8.375 499 HG2 GLN 102 2HG GLN 102 25.478 22.499 -10.295 500 HG3 GLN 102 1HG GLN 102 26.706 21.309 -10.727 501 HE21 GLN 102 1HE2 GLN 102 24.709 21.886 -12.615 502 HE22 GLN 102 2HE2 GLN 102 23.649 20.567 -12.746 503 H LEU 103 HN LEU 103 25.522 22.779 -6.098 504 HA LEU 103 HA LEU 103 26.582 20.767 -4.153 505 HG LEU 103 HG LEU 103 27.779 21.235 -2.728 506 HB2 LEU 103 2HB LEU 103 26.816 23.611 -4.119 507 HB3 LEU 103 1HB LEU 103 25.742 23.140 -2.802 508 HD11 LEU 103 1HD1 LEU 103 29.547 23.407 -2.441 509 HD12 LEU 103 2HD1 LEU 103 28.738 23.656 -3.988 510 HD13 LEU 103 3HD1 LEU 103 29.601 22.151 -3.678 511 HD21 LEU 103 3HD2 LEU 103 26.652 22.295 -0.802 512 HD22 LEU 103 1HD2 LEU 103 27.493 23.808 -1.143 513 HD23 LEU 103 2HD2 LEU 103 28.406 22.387 -0.635 514 H LYS 104 HN LYS 104 25.039 19.643 -3.057 515 HA LYS 104 HA LYS 104 22.223 20.638 -3.247 516 HB2 LYS 104 2HB LYS 104 23.221 17.781 -3.017 517 HB3 LYS 104 1HB LYS 104 21.531 18.274 -3.122 518 HG2 LYS 104 2HG LYS 104 22.012 19.324 -5.332 519 HG3 LYS 104 1HG LYS 104 23.665 18.719 -5.231 520 HD2 LYS 104 2HD LYS 104 22.777 16.400 -5.066 521 HD3 LYS 104 1HD LYS 104 21.142 17.035 -5.252 522 HE2 LYS 104 2HE LYS 104 21.415 16.922 -7.485 523 HE3 LYS 104 1HE LYS 104 22.657 18.166 -7.351 524 HZ1 LYS 104 3HZ LYS 104 23.264 15.911 -8.390 525 HZ2 LYS 104 1HZ LYS 104 23.305 15.348 -6.791 526 HZ3 LYS 104 2HZ LYS 104 24.337 16.608 -7.272 527 H VAL 105 HN VAL 105 21.261 21.094 -1.319 528 HA VAL 105 HA VAL 105 22.672 20.220 1.158 529 HB VAL 105 HB VAL 105 20.546 22.361 0.854 530 HG11 VAL 105 1HG1 VAL 105 22.478 22.577 3.030 531 HG12 VAL 105 2HG1 VAL 105 21.563 21.072 3.109 532 HG13 VAL 105 3HG1 VAL 105 20.717 22.618 3.091 533 HG21 VAL 105 3HG2 VAL 105 22.129 23.759 0.073 534 HG22 VAL 105 1HG2 VAL 105 23.225 22.384 -0.063 535 HG23 VAL 105 2HG2 VAL 105 23.197 23.348 1.414 536 H ASN 106 HN ASN 106 21.636 18.901 2.620 537 HA ASN 106 HA ASN 106 18.728 18.378 2.213 538 HB2 ASN 106 2HB ASN 106 20.914 16.294 2.498 539 HB3 ASN 106 1HB ASN 106 19.190 15.941 2.607 540 HD21 ASN 106 1HD2 ASN 106 20.738 14.749 0.548 541 HD22 ASN 106 2HD2 ASN 106 20.285 15.418 -0.944 542 H ILE 107 HN ILE 107 18.359 16.527 4.225 543 HA ILE 107 HA ILE 107 19.167 18.100 6.633 544 HB ILE 107 HB ILE 107 16.874 16.135 6.370 545 HG12 ILE 107 1HG1 ILE 107 16.393 17.952 4.879 546 HG13 ILE 107 2HG1 ILE 107 15.487 18.267 6.359 547 HG21 ILE 107 1HG2 ILE 107 16.857 18.311 8.372 548 HG22 ILE 107 2HG2 ILE 107 18.091 17.078 8.628 549 HG23 ILE 107 3HG2 ILE 107 16.390 16.619 8.545 550 HD11 ILE 107 3HD1 ILE 107 16.606 20.319 5.632 551 HD12 ILE 107 1HD1 ILE 107 18.161 19.485 5.601 552 HD13 ILE 107 2HD1 ILE 107 17.332 19.750 7.135 553 H ALA 108 HN ALA 108 20.632 17.141 7.953 554 HA ALA 108 HA ALA 108 21.089 14.213 7.646 555 HB1 ALA 108 1HB ALA 108 22.848 16.404 7.831 556 HB2 ALA 108 2HB ALA 108 23.280 14.695 7.867 557 HB3 ALA 108 3HB ALA 108 22.984 15.562 9.374 558 H ARG 109 HN ARG 109 21.682 13.076 9.763 559 HA ARG 109 HA ARG 109 19.545 13.126 11.582 560 HE ARG 109 HE ARG 109 20.113 8.792 13.118 561 HB2 ARG 109 2HB ARG 109 22.421 12.276 12.039 562 HB3 ARG 109 1HB ARG 109 21.095 11.920 13.145 563 HG2 ARG 109 2HG ARG 109 19.902 10.771 11.271 564 HG3 ARG 109 1HG ARG 109 21.315 11.039 10.251 565 HD2 ARG 109 2HD ARG 109 21.530 8.820 11.145 566 HD3 ARG 109 1HD ARG 109 22.679 9.829 12.026 567 HH11 ARG 109 1HH1 ARG 109 23.298 8.810 13.803 568 HH12 ARG 109 2HH1 ARG 109 23.188 9.547 15.367 569 HH21 ARG 109 1HH2 ARG 109 19.868 10.473 14.991 570 HH22 ARG 109 2HH2 ARG 109 21.247 10.489 16.040 571 H LYS 110 HN LYS 110 19.118 14.270 13.460 572 HA LYS 110 HA LYS 110 20.462 16.809 13.825 573 HB2 LYS 110 2HB LYS 110 18.511 15.393 15.668 574 HB3 LYS 110 1HB LYS 110 18.933 17.105 15.713 575 HG2 LYS 110 2HG LYS 110 18.012 17.411 13.456 576 HG3 LYS 110 1HG LYS 110 17.641 15.689 13.358 577 HD2 LYS 110 2HD LYS 110 16.123 15.916 15.302 578 HD3 LYS 110 1HD LYS 110 16.478 17.642 15.370 579 HE2 LYS 110 2HE LYS 110 14.486 17.568 14.122 580 HE3 LYS 110 1HE LYS 110 15.727 17.651 12.871 581 HZ1 LYS 110 3HZ LYS 110 15.497 14.993 13.382 582 HZ2 LYS 110 1HZ LYS 110 14.799 15.811 12.071 583 HZ3 LYS 110 2HZ LYS 110 13.892 15.538 13.481 584 H GLN 111 HN GLN 111 21.842 17.428 15.549 585 HA GLN 111 HA GLN 111 23.411 15.220 16.681 586 HB2 GLN 111 2HB GLN 111 24.931 16.940 17.451 587 HB3 GLN 111 1HB GLN 111 24.461 17.327 15.799 588 HG2 GLN 111 2HG GLN 111 22.915 19.005 16.541 589 HG3 GLN 111 1HG GLN 111 23.059 18.485 18.223 590 HE21 GLN 111 1HE2 GLN 111 25.838 18.243 18.515 591 HE22 GLN 111 2HE2 GLN 111 26.576 19.752 18.273 592 HA PRO 112 HA PRO 112 21.481 15.037 20.650 593 HB2 PRO 112 2HB PRO 112 23.592 14.539 22.261 594 HB3 PRO 112 1HB PRO 112 22.921 13.335 21.159 595 HG2 PRO 112 2HG PRO 112 25.325 15.088 20.822 596 HG3 PRO 112 1HG PRO 112 25.134 13.377 20.430 597 HD2 PRO 112 1HD PRO 112 24.997 15.314 18.543 598 HD3 PRO 112 2HD PRO 112 24.063 13.821 18.430 599 H MET 113 HN MET 113 24.171 17.262 20.230 600 HA MET 113 HA MET 113 24.264 18.636 22.632 601 HB2 MET 113 2HB MET 113 25.692 19.412 20.920 602 HB3 MET 113 1HB MET 113 24.372 19.594 19.773 603 HG2 MET 113 2HG MET 113 23.725 21.287 21.939 604 HG3 MET 113 1HG MET 113 25.442 21.523 21.646 605 HE1 MET 113 3HE MET 113 22.962 20.911 18.082 606 HE2 MET 113 1HE MET 113 21.846 21.733 19.179 607 HE3 MET 113 2HE MET 113 22.676 20.270 19.697 608 H LEU 114 HN LEU 114 21.626 18.511 20.343 609 HA LEU 114 HA LEU 114 19.700 19.450 22.227 610 HG LEU 114 HG LEU 114 18.338 21.107 22.236 611 HB2 LEU 114 2HB LEU 114 21.047 21.589 21.640 612 HB3 LEU 114 1HB LEU 114 20.235 21.491 20.079 613 HD11 LEU 114 1HD1 LEU 114 20.401 22.949 22.840 614 HD12 LEU 114 2HD1 LEU 114 18.869 22.742 23.689 615 HD13 LEU 114 3HD1 LEU 114 18.998 23.911 22.376 616 HD21 LEU 114 3HD2 LEU 114 17.257 21.834 20.367 617 HD22 LEU 114 1HD2 LEU 114 18.689 22.654 19.745 618 HD23 LEU 114 2HD2 LEU 114 17.679 23.442 20.957 619 H ASP 115 HN ASP 115 20.128 17.438 20.089 620 HA ASP 115 HA ASP 115 18.975 16.513 18.248 621 HB2 ASP 115 2HB ASP 115 16.725 17.936 19.708 622 HB3 ASP 115 1HB ASP 115 16.491 16.730 18.442 623 H ALA 116 HN ALA 116 20.332 18.743 17.493 624 HA ALA 116 HA ALA 116 20.397 20.281 15.718 625 HB1 ALA 116 1HB ALA 116 19.187 19.360 14.043 626 HB2 ALA 116 2HB ALA 116 17.823 20.309 14.633 627 HB3 ALA 116 3HB ALA 116 18.042 18.647 15.178 628 H ALA 117 HN ALA 117 16.932 20.651 16.240 629 HA ALA 117 HA ALA 117 17.122 22.745 18.195 630 HB1 ALA 117 1HB ALA 117 17.733 24.480 16.886 631 HB2 ALA 117 2HB ALA 117 16.188 24.302 16.054 632 HB3 ALA 117 3HB ALA 117 17.620 23.484 15.435 633 H THR 118 HN THR 118 15.329 21.305 15.510 634 HA THR 118 HA THR 118 12.796 21.967 16.958 635 HB THR 118 HB THR 118 13.124 21.195 14.044 636 HG1 THR 118 1HG THR 118 12.564 23.751 15.114 637 HG21 THR 118 3HG2 THR 118 10.802 22.317 15.637 638 HG22 THR 118 1HG2 THR 118 10.917 20.690 14.967 639 HG23 THR 118 2HG2 THR 118 10.806 22.082 13.889 640 H GLY 119 HN GLY 119 11.450 20.277 17.551 641 HA2 GLY 119 2HA GLY 119 11.003 17.792 16.626 642 HA3 GLY 119 1HA GLY 119 12.601 17.563 17.336 643 H LYS 120 HN LYS 120 9.301 18.663 18.120 644 HA LYS 120 HA LYS 120 9.602 18.840 20.930 645 HB2 LYS 120 2HB LYS 120 7.577 19.541 19.586 646 HB3 LYS 120 1HB LYS 120 7.134 17.836 19.487 647 HG2 LYS 120 2HG LYS 120 7.283 17.792 22.038 648 HG3 LYS 120 1HG LYS 120 7.367 19.552 21.969 649 HD2 LYS 120 2HD LYS 120 5.152 17.932 20.683 650 HD3 LYS 120 1HD LYS 120 5.034 18.631 22.298 651 HE2 LYS 120 2HE LYS 120 5.977 20.593 20.370 652 HE3 LYS 120 1HE LYS 120 4.427 19.911 19.877 653 HZ1 LYS 120 3HZ LYS 120 3.487 21.232 21.366 654 HZ2 LYS 120 1HZ LYS 120 4.990 21.728 21.977 655 HZ3 LYS 120 2HZ LYS 120 4.242 20.333 22.596 656 H SER 121 HN SER 121 8.928 16.031 18.864 657 HA SER 121 HA SER 121 9.207 13.743 19.330 658 HG SER 121 HG SER 121 10.243 12.233 21.300 659 HB2 SER 121 2HB SER 121 11.213 14.827 20.702 660 HB3 SER 121 1HB SER 121 10.228 14.337 22.081 Start of MODEL 18 1 H ALA 35 HN ALA 35 30.082 24.682 19.639 2 HA ALA 35 HA ALA 35 30.462 24.406 22.398 3 HB1 ALA 35 1HB ALA 35 31.179 26.498 21.898 4 HB2 ALA 35 2HB ALA 35 29.509 26.996 22.165 5 HB3 ALA 35 3HB ALA 35 30.072 26.637 20.533 6 HA PRO 36 HA PRO 36 25.909 25.841 23.239 7 HB2 PRO 36 2HB PRO 36 24.264 26.119 21.113 8 HB3 PRO 36 1HB PRO 36 25.269 27.434 21.728 9 HG2 PRO 36 2HG PRO 36 25.749 25.607 19.403 10 HG3 PRO 36 1HG PRO 36 25.996 27.352 19.514 11 HD2 PRO 36 2HD PRO 36 28.040 25.596 19.730 12 HD3 PRO 36 1HD PRO 36 28.020 27.126 20.608 13 H ARG 37 HN ARG 37 24.152 24.456 23.697 14 HA ARG 37 HA ARG 37 24.464 21.690 23.079 15 HE ARG 37 HE ARG 37 23.555 21.695 28.378 16 HB2 ARG 37 2HB ARG 37 21.998 23.175 24.038 17 HB3 ARG 37 1HB ARG 37 22.211 21.425 24.082 18 HG2 ARG 37 2HG ARG 37 24.241 21.757 25.507 19 HG3 ARG 37 1HG ARG 37 23.890 23.485 25.543 20 HD2 ARG 37 2HD ARG 37 21.660 22.983 26.530 21 HD3 ARG 37 1HD ARG 37 22.080 21.270 26.555 22 HH11 ARG 37 1HH1 ARG 37 21.318 23.853 28.771 23 HH12 ARG 37 2HH1 ARG 37 22.297 25.203 29.237 24 HH21 ARG 37 1HH2 ARG 37 25.267 23.747 28.198 25 HH22 ARG 37 2HH2 ARG 37 24.533 25.144 28.912 26 H LYS 38 HN LYS 38 22.477 24.223 21.601 27 HA LYS 38 HA LYS 38 20.935 22.502 19.907 28 HB2 LYS 38 2HB LYS 38 21.806 25.338 19.287 29 HB3 LYS 38 1HB LYS 38 20.389 24.497 18.659 30 HG2 LYS 38 2HG LYS 38 19.450 24.365 20.933 31 HG3 LYS 38 1HG LYS 38 20.873 25.183 21.575 32 HD2 LYS 38 2HD LYS 38 20.365 27.161 20.186 33 HD3 LYS 38 1HD LYS 38 18.940 26.343 19.545 34 HE2 LYS 38 2HE LYS 38 19.380 26.845 22.501 35 HE3 LYS 38 1HE LYS 38 18.473 27.940 21.458 36 HZ1 LYS 38 3HZ LYS 38 16.761 26.503 21.276 37 HZ2 LYS 38 1HZ LYS 38 17.343 25.946 22.768 38 HZ3 LYS 38 2HZ LYS 38 17.749 25.123 21.339 39 H GLY 39 HN GLY 39 21.311 23.132 17.313 40 HA2 GLY 39 1HA GLY 39 23.566 23.463 15.949 41 HA3 GLY 39 2HA GLY 39 23.975 21.949 16.755 42 H ASN 40 HN ASN 40 22.142 23.408 14.201 43 HA ASN 40 HA ASN 40 20.645 20.937 13.617 44 HB2 ASN 40 2HB ASN 40 19.767 23.321 13.235 45 HB3 ASN 40 1HB ASN 40 20.859 23.381 11.851 46 HD21 ASN 40 1HD2 ASN 40 18.606 23.576 10.707 47 HD22 ASN 40 2HD2 ASN 40 17.857 22.120 10.261 48 H THR 41 HN THR 41 22.058 19.344 12.924 49 HA THR 41 HA THR 41 24.379 19.830 11.309 50 HB THR 41 HB THR 41 22.765 17.275 11.571 51 HG1 THR 41 1HG THR 41 24.979 18.264 13.042 52 HG21 THR 41 3HG2 THR 41 24.514 16.171 10.568 53 HG22 THR 41 1HG2 THR 41 25.712 17.333 11.138 54 HG23 THR 41 2HG2 THR 41 24.687 17.728 9.757 55 H LEU 42 HN LEU 42 24.550 20.115 9.129 56 HA LEU 42 HA LEU 42 22.076 19.702 7.502 57 HG LEU 42 HG LEU 42 23.518 22.354 8.864 58 HB2 LEU 42 2HB LEU 42 24.429 21.482 6.817 59 HB3 LEU 42 1HB LEU 42 22.839 21.462 6.055 60 HD11 LEU 42 1HD1 LEU 42 22.067 24.338 7.798 61 HD12 LEU 42 2HD1 LEU 42 22.713 23.659 6.303 62 HD13 LEU 42 3HD1 LEU 42 23.811 24.234 7.560 63 HD21 LEU 42 3HD2 LEU 42 20.794 22.004 7.575 64 HD22 LEU 42 1HD2 LEU 42 21.097 22.701 9.166 65 HD23 LEU 42 2HD2 LEU 42 21.447 20.999 8.869 66 H TYR 43 HN TYR 43 22.271 18.588 5.517 67 HA TYR 43 HA TYR 43 24.803 17.036 5.236 68 HD1 TYR 43 HD1 TYR 43 24.629 14.132 5.271 69 HD2 TYR 43 HD2 TYR 43 22.791 15.978 1.855 70 HE1 TYR 43 HE1 TYR 43 25.742 12.488 3.784 71 HE2 TYR 43 HE2 TYR 43 23.904 14.334 0.369 72 HH TYR 43 HH TYR 43 25.846 11.675 1.700 73 HB2 TYR 43 2HB TYR 43 22.748 15.699 5.517 74 HB3 TYR 43 1HB TYR 43 22.038 16.491 4.110 75 H VAL 44 HN VAL 44 26.128 17.621 3.593 76 HA VAL 44 HA VAL 44 24.903 19.008 1.241 77 HB VAL 44 HB VAL 44 27.670 19.439 2.407 78 HG11 VAL 44 1HG1 VAL 44 27.873 21.205 0.775 79 HG12 VAL 44 2HG1 VAL 44 26.195 21.005 0.274 80 HG13 VAL 44 3HG1 VAL 44 27.377 19.748 -0.089 81 HG21 VAL 44 3HG2 VAL 44 26.750 20.978 3.768 82 HG22 VAL 44 1HG2 VAL 44 25.153 20.439 3.247 83 HG23 VAL 44 2HG2 VAL 44 25.959 21.757 2.397 84 H TYR 45 HN TYR 45 25.476 18.213 -0.769 85 HA TYR 45 HA TYR 45 27.445 15.957 -0.785 86 HD1 TYR 45 HD1 TYR 45 26.625 13.290 -1.184 87 HD2 TYR 45 HD2 TYR 45 26.132 15.778 -4.652 88 HE1 TYR 45 HE1 TYR 45 27.676 11.539 -2.590 89 HE2 TYR 45 HE2 TYR 45 27.183 14.025 -6.058 90 HH TYR 45 HH TYR 45 28.876 11.391 -4.750 91 HB2 TYR 45 2HB TYR 45 25.088 15.249 -1.191 92 HB3 TYR 45 1HB TYR 45 25.031 16.330 -2.583 93 H GLY 46 HN GLY 46 29.041 16.032 -2.353 94 HA2 GLY 46 1HA GLY 46 28.949 17.454 -4.795 95 HA3 GLY 46 2HA GLY 46 29.647 18.539 -3.593 96 H GLU 47 HN GLU 47 31.427 18.066 -5.419 97 HA GLU 47 HA GLU 47 33.131 15.853 -4.346 98 HB2 GLU 47 2HB GLU 47 32.964 16.837 -7.212 99 HB3 GLU 47 1HB GLU 47 34.053 15.582 -6.620 100 HG2 GLU 47 2HG GLU 47 32.065 14.259 -5.888 101 HG3 GLU 47 1HG GLU 47 31.021 15.487 -6.606 102 H ASP 48 HN ASP 48 35.447 16.300 -4.417 103 HA ASP 48 HA ASP 48 37.231 17.733 -3.867 104 HB2 ASP 48 2HB ASP 48 37.086 17.929 -6.369 105 HB3 ASP 48 1HB ASP 48 36.074 19.357 -6.151 106 H MET 49 HN MET 49 35.188 18.165 -2.112 107 HA MET 49 HA MET 49 34.825 21.125 -2.026 108 HB2 MET 49 2HB MET 49 33.386 18.881 -0.591 109 HB3 MET 49 1HB MET 49 33.099 20.591 -0.275 110 HG2 MET 49 2HG MET 49 32.579 20.876 -2.727 111 HG3 MET 49 1HG MET 49 32.676 19.123 -2.893 112 HE1 MET 49 3HE MET 49 30.801 18.325 0.267 113 HE2 MET 49 1HE MET 49 31.916 17.790 -0.998 114 HE3 MET 49 2HE MET 49 30.185 17.502 -1.164 115 H THR 50 HN THR 50 35.518 22.288 -0.197 116 HA THR 50 HA THR 50 37.223 20.740 1.715 117 HB THR 50 HB THR 50 38.430 23.030 1.934 118 HG1 THR 50 1HG THR 50 38.256 24.076 -0.234 119 HG21 THR 50 3HG2 THR 50 40.038 22.151 0.588 120 HG22 THR 50 1HG2 THR 50 38.946 22.025 -0.791 121 HG23 THR 50 2HG2 THR 50 38.932 20.784 0.461 122 HA PRO 51 HA PRO 51 34.864 22.405 5.068 123 HB2 PRO 51 2HB PRO 51 36.759 22.929 6.923 124 HB3 PRO 51 1HB PRO 51 36.252 21.291 6.502 125 HG2 PRO 51 2HG PRO 51 38.658 22.825 5.597 126 HG3 PRO 51 1HG PRO 51 38.536 21.132 6.081 127 HD2 PRO 51 1HD PRO 51 38.622 21.891 3.483 128 HD3 PRO 51 2HD PRO 51 37.735 20.465 4.022 129 H THR 52 HN THR 52 37.888 24.327 4.819 130 HA THR 52 HA THR 52 36.902 26.722 5.889 131 HB THR 52 HB THR 52 38.797 26.536 3.528 132 HG1 THR 52 1HG THR 52 40.390 26.408 5.184 133 HG21 THR 52 3HG2 THR 52 38.017 28.805 4.122 134 HG22 THR 52 1HG2 THR 52 39.729 28.598 4.489 135 HG23 THR 52 2HG2 THR 52 38.535 28.542 5.786 136 H LEU 53 HN LEU 53 36.801 25.639 2.485 137 HA LEU 53 HA LEU 53 35.486 27.925 1.430 138 HG LEU 53 HG LEU 53 33.644 26.980 -0.398 139 HB2 LEU 53 2HB LEU 53 36.473 26.035 0.085 140 HB3 LEU 53 1HB LEU 53 35.076 25.058 0.534 141 HD11 LEU 53 1HD1 LEU 53 35.659 28.551 -0.430 142 HD12 LEU 53 2HD1 LEU 53 34.681 28.528 -1.897 143 HD13 LEU 53 3HD1 LEU 53 36.214 27.657 -1.845 144 HD21 LEU 53 3HD2 LEU 53 34.177 24.742 -1.519 145 HD22 LEU 53 1HD2 LEU 53 35.406 25.612 -2.440 146 HD23 LEU 53 2HD2 LEU 53 33.706 26.055 -2.598 147 H LEU 54 HN LEU 54 34.022 24.819 2.472 148 HA LEU 54 HA LEU 54 31.323 25.598 2.224 149 HG LEU 54 HG LEU 54 32.603 23.453 1.599 150 HB2 LEU 54 2HB LEU 54 32.591 23.774 4.291 151 HB3 LEU 54 1HB LEU 54 30.860 23.873 3.965 152 HD11 LEU 54 1HD1 LEU 54 31.975 20.949 3.020 153 HD12 LEU 54 2HD1 LEU 54 33.201 21.938 3.813 154 HD13 LEU 54 3HD1 LEU 54 33.436 21.410 2.147 155 HD21 LEU 54 3HD2 LEU 54 29.962 23.475 1.938 156 HD22 LEU 54 1HD2 LEU 54 30.238 21.783 2.355 157 HD23 LEU 54 2HD2 LEU 54 30.719 22.391 0.771 158 H ARG 55 HN ARG 55 33.558 26.032 4.964 159 HA ARG 55 HA ARG 55 31.822 27.107 6.871 160 HE ARG 55 HE ARG 55 33.888 29.774 10.386 161 HB2 ARG 55 2HB ARG 55 34.309 26.729 7.141 162 HB3 ARG 55 1HB ARG 55 34.569 28.228 6.250 163 HG2 ARG 55 2HG ARG 55 33.161 29.420 7.944 164 HG3 ARG 55 1HG ARG 55 33.062 27.919 8.863 165 HD2 ARG 55 2HD ARG 55 35.545 27.881 9.018 166 HD3 ARG 55 1HD ARG 55 35.602 29.424 8.167 167 HH11 ARG 55 1HH1 ARG 55 36.806 28.126 10.474 168 HH12 ARG 55 2HH1 ARG 55 37.590 29.211 11.574 169 HH21 ARG 55 1HH2 ARG 55 35.052 31.570 11.475 170 HH22 ARG 55 2HH2 ARG 55 36.597 31.160 12.141 171 H GLY 56 HN GLY 56 33.321 28.754 4.094 172 HA2 GLY 56 2HA GLY 56 32.233 31.349 4.707 173 HA3 GLY 56 1HA GLY 56 32.841 30.844 3.131 174 H ALA 57 HN ALA 57 31.046 28.572 2.869 175 HA ALA 57 HA ALA 57 28.754 29.944 1.757 176 HB1 ALA 57 1HB ALA 57 29.168 26.982 2.268 177 HB2 ALA 57 2HB ALA 57 29.648 27.836 0.802 178 HB3 ALA 57 3HB ALA 57 27.940 27.687 1.218 179 H PHE 58 HN PHE 58 29.471 28.543 4.845 180 HA PHE 58 HA PHE 58 26.601 28.877 5.627 181 HD1 PHE 58 HD1 PHE 58 29.013 25.886 4.602 182 HD2 PHE 58 HD2 PHE 58 25.111 26.423 6.314 183 HE1 PHE 58 HE1 PHE 58 28.084 24.236 3.000 184 HE2 PHE 58 HE2 PHE 58 24.181 24.775 4.711 185 HZ PHE 58 HZ PHE 58 25.668 23.682 3.055 186 HB2 PHE 58 2HB PHE 58 28.718 27.018 6.751 187 HB3 PHE 58 1HB PHE 58 27.117 27.238 7.454 188 H SER 59 HN SER 59 29.457 30.432 5.771 189 HA SER 59 HA SER 59 29.651 31.055 8.595 190 HG SER 59 HG SER 59 31.919 33.689 7.426 191 HB2 SER 59 2HB SER 59 31.659 31.422 7.464 192 HB3 SER 59 1HB SER 59 30.858 32.156 6.076 193 HA PRO 60 HA PRO 60 27.504 35.214 7.275 194 HB2 PRO 60 2HB PRO 60 26.349 35.286 4.832 195 HB3 PRO 60 1HB PRO 60 28.022 35.769 5.121 196 HG2 PRO 60 2HG PRO 60 26.952 33.177 4.066 197 HG3 PRO 60 1HG PRO 60 28.328 34.125 3.493 198 HD2 PRO 60 2HD PRO 60 28.649 31.949 5.054 199 HD3 PRO 60 1HD PRO 60 29.727 33.341 5.165 200 H PHE 61 HN PHE 61 26.170 32.120 6.267 201 HA PHE 61 HA PHE 61 23.393 32.921 6.508 202 HD1 PHE 61 HD1 PHE 61 25.878 30.936 4.345 203 HD2 PHE 61 HD2 PHE 61 21.619 31.200 4.840 204 HE1 PHE 61 HE1 PHE 61 25.612 31.245 1.898 205 HE2 PHE 61 HE2 PHE 61 21.354 31.508 2.393 206 HZ PHE 61 HZ PHE 61 23.350 31.530 0.923 207 HB2 PHE 61 2HB PHE 61 24.793 30.243 6.432 208 HB3 PHE 61 1HB PHE 61 23.046 30.381 6.640 209 H GLY 62 HN GLY 62 25.857 31.868 8.739 210 HA2 GLY 62 1HA GLY 62 24.613 32.731 11.067 211 HA3 GLY 62 2HA GLY 62 24.035 31.078 10.855 212 H ASN 63 HN ASN 63 25.395 31.191 13.055 213 HA ASN 63 HA ASN 63 28.287 30.808 12.548 214 HB2 ASN 63 2HB ASN 63 26.665 30.809 15.112 215 HB3 ASN 63 1HB ASN 63 28.417 30.613 15.036 216 HD21 ASN 63 1HD2 ASN 63 27.275 32.836 16.408 217 HD22 ASN 63 2HD2 ASN 63 27.632 34.253 15.543 218 H ILE 64 HN ILE 64 29.296 28.809 12.686 219 HA ILE 64 HA ILE 64 27.479 26.460 12.860 220 HB ILE 64 HB ILE 64 30.356 26.597 11.913 221 HG12 ILE 64 2HG1 ILE 64 27.878 26.366 10.199 222 HG13 ILE 64 1HG1 ILE 64 28.599 27.928 10.588 223 HG21 ILE 64 1HG2 ILE 64 28.304 24.475 11.291 224 HG22 ILE 64 2HG2 ILE 64 29.290 24.383 12.751 225 HG23 ILE 64 3HG2 ILE 64 30.061 24.377 11.165 226 HD11 ILE 64 3HD1 ILE 64 29.613 25.756 8.827 227 HD12 ILE 64 1HD1 ILE 64 30.816 26.601 9.801 228 HD13 ILE 64 2HD1 ILE 64 29.796 27.503 8.678 229 H ILE 65 HN ILE 65 27.643 25.024 14.540 230 HA ILE 65 HA ILE 65 29.623 25.658 16.659 231 HB ILE 65 HB ILE 65 28.223 24.358 18.131 232 HG12 ILE 65 2HG1 ILE 65 26.721 23.532 15.626 233 HG13 ILE 65 1HG1 ILE 65 27.785 22.492 16.573 234 HG21 ILE 65 1HG2 ILE 65 27.243 26.475 17.909 235 HG22 ILE 65 2HG2 ILE 65 25.901 25.401 17.513 236 HG23 ILE 65 3HG2 ILE 65 26.800 26.201 16.224 237 HD11 ILE 65 3HD1 ILE 65 25.707 21.940 17.471 238 HD12 ILE 65 1HD1 ILE 65 25.075 23.575 17.276 239 HD13 ILE 65 2HD1 ILE 65 26.220 23.221 18.570 240 H ASP 66 HN ASP 66 28.874 23.240 14.267 241 HA ASP 66 HA ASP 66 31.331 21.782 15.055 242 HB2 ASP 66 2HB ASP 66 29.319 20.693 16.166 243 HB3 ASP 66 1HB ASP 66 28.734 20.312 14.546 244 H LEU 67 HN LEU 67 32.509 21.580 13.219 245 HA LEU 67 HA LEU 67 31.040 21.479 10.617 246 HG LEU 67 HG LEU 67 33.195 21.195 8.926 247 HB2 LEU 67 2HB LEU 67 32.545 23.411 10.840 248 HB3 LEU 67 1HB LEU 67 33.890 22.334 11.213 249 HD11 LEU 67 1HD1 LEU 67 32.036 23.985 8.777 250 HD12 LEU 67 2HD1 LEU 67 31.235 22.456 8.411 251 HD13 LEU 67 3HD1 LEU 67 32.489 23.074 7.336 252 HD21 LEU 67 3HD2 LEU 67 34.634 23.864 9.013 253 HD22 LEU 67 1HD2 LEU 67 34.830 22.613 7.786 254 HD23 LEU 67 2HD2 LEU 67 35.360 22.315 9.441 255 H SER 68 HN SER 68 31.045 19.511 9.654 256 HA SER 68 HA SER 68 33.426 17.756 10.043 257 HG SER 68 HG SER 68 33.011 15.498 10.511 258 HB2 SER 68 2HB SER 68 31.590 16.999 11.546 259 HB3 SER 68 1HB SER 68 30.537 16.832 10.141 260 H MET 69 HN MET 69 33.968 16.528 8.209 261 HA MET 69 HA MET 69 32.226 16.922 5.812 262 HB2 MET 69 2HB MET 69 35.249 17.130 5.963 263 HB3 MET 69 1HB MET 69 34.325 17.110 4.460 264 HG2 MET 69 2HG MET 69 33.034 19.102 5.339 265 HG3 MET 69 1HG MET 69 34.188 19.178 6.671 266 HE1 MET 69 3HE MET 69 34.728 18.324 2.749 267 HE2 MET 69 1HE MET 69 34.819 20.014 2.233 268 HE3 MET 69 2HE MET 69 33.387 19.419 3.069 269 H ASP 70 HN ASP 70 32.300 15.177 4.282 270 HA ASP 70 HA ASP 70 33.642 12.702 5.291 271 HB2 ASP 70 2HB ASP 70 30.851 13.188 5.032 272 HB3 ASP 70 1HB ASP 70 31.301 12.056 3.757 273 HA PRO 71 HA PRO 71 35.159 13.319 1.041 274 HB2 PRO 71 2HB PRO 71 37.485 12.001 1.408 275 HB3 PRO 71 1HB PRO 71 37.242 13.690 1.850 276 HG2 PRO 71 2HG PRO 71 37.310 11.270 3.572 277 HG3 PRO 71 1HG PRO 71 37.863 12.907 3.918 278 HD2 PRO 71 2HD PRO 71 35.484 11.834 4.832 279 HD3 PRO 71 1HD PRO 71 35.822 13.558 4.697 280 HA PRO 72 HA PRO 72 35.312 8.489 0.583 281 HB2 PRO 72 2HB PRO 72 33.968 7.051 2.422 282 HB3 PRO 72 1HB PRO 72 35.684 7.432 2.574 283 HG2 PRO 72 2HG PRO 72 33.335 8.676 3.919 284 HG3 PRO 72 1HG PRO 72 34.944 8.342 4.563 285 HD2 PRO 72 1HD PRO 72 34.103 10.814 3.737 286 HD3 PRO 72 2HD PRO 72 35.790 10.316 3.788 287 H ARG 73 HN ARG 73 32.512 10.154 1.915 288 HA ARG 73 HA ARG 73 30.770 8.639 0.016 289 HE ARG 73 HE ARG 73 30.239 6.303 4.397 290 HB2 ARG 73 2HB ARG 73 30.030 10.253 2.478 291 HB3 ARG 73 1HB ARG 73 28.885 9.418 1.428 292 HG2 ARG 73 2HG ARG 73 30.057 7.272 1.916 293 HG3 ARG 73 1HG ARG 73 31.112 8.133 3.037 294 HD2 ARG 73 2HD ARG 73 29.046 8.875 4.281 295 HD3 ARG 73 1HD ARG 73 28.105 7.805 3.242 296 HH11 ARG 73 1HH1 ARG 73 29.367 7.883 6.795 297 HH12 ARG 73 2HH1 ARG 73 28.111 6.884 7.448 298 HH21 ARG 73 1HH2 ARG 73 27.726 5.020 4.549 299 HH22 ARG 73 2HH2 ARG 73 27.182 5.263 6.174 300 H ASN 74 HN ASN 74 32.453 11.469 0.206 301 HA ASN 74 HA ASN 74 32.306 13.486 -0.981 302 HB2 ASN 74 2HB ASN 74 30.159 11.944 -2.469 303 HB3 ASN 74 1HB ASN 74 30.852 13.477 -2.998 304 HD21 ASN 74 1HD2 ASN 74 31.115 11.144 -4.617 305 HD22 ASN 74 2HD2 ASN 74 32.745 10.671 -4.630 306 H CYS 75 HN CYS 75 30.974 13.452 1.457 307 HA CYS 75 HA CYS 75 28.783 15.365 0.894 308 HG CYS 75 HG CYS 75 27.935 12.453 3.952 309 HB2 CYS 75 2HB CYS 75 27.218 14.259 2.376 310 HB3 CYS 75 1HB CYS 75 27.753 13.083 1.177 311 H ALA 76 HN ALA 76 28.856 17.058 2.322 312 HA ALA 76 HA ALA 76 30.745 16.793 4.620 313 HB1 ALA 76 1HB ALA 76 31.348 18.985 4.301 314 HB2 ALA 76 2HB ALA 76 29.729 19.464 3.792 315 HB3 ALA 76 3HB ALA 76 30.804 18.646 2.658 316 H PHE 77 HN PHE 77 30.098 17.950 6.633 317 HA PHE 77 HA PHE 77 27.124 18.097 6.930 318 HD1 PHE 77 HD1 PHE 77 25.723 15.823 8.054 319 HD2 PHE 77 HD2 PHE 77 29.925 15.218 7.398 320 HE1 PHE 77 HE1 PHE 77 25.241 13.645 6.972 321 HE2 PHE 77 HE2 PHE 77 29.443 13.040 6.316 322 HZ PHE 77 HZ PHE 77 27.101 12.253 6.102 323 HB2 PHE 77 2HB PHE 77 29.133 16.959 8.898 324 HB3 PHE 77 1HB PHE 77 27.414 17.178 9.224 325 H VAL 78 HN VAL 78 26.412 19.962 7.883 326 HA VAL 78 HA VAL 78 28.429 21.646 9.307 327 HB VAL 78 HB VAL 78 26.254 22.655 7.455 328 HG11 VAL 78 1HG1 VAL 78 26.859 24.190 9.299 329 HG12 VAL 78 2HG1 VAL 78 27.398 24.819 7.742 330 HG13 VAL 78 3HG1 VAL 78 28.556 24.066 8.838 331 HG21 VAL 78 3HG2 VAL 78 29.234 22.762 6.977 332 HG22 VAL 78 1HG2 VAL 78 27.931 23.035 5.820 333 HG23 VAL 78 2HG2 VAL 78 28.257 21.406 6.413 334 H THR 79 HN THR 79 27.739 22.349 11.287 335 HA THR 79 HA THR 79 24.896 21.799 12.000 336 HB THR 79 HB THR 79 27.143 22.406 13.927 337 HG1 THR 79 1HG THR 79 27.540 20.568 12.485 338 HG21 THR 79 3HG2 THR 79 24.345 21.380 14.065 339 HG22 THR 79 1HG2 THR 79 25.197 22.467 15.161 340 HG23 THR 79 2HG2 THR 79 25.513 20.732 15.217 341 H TYR 80 HN TYR 80 23.582 23.464 12.726 342 HA TYR 80 HA TYR 80 24.820 26.189 12.770 343 HD1 TYR 80 HD1 TYR 80 24.878 27.862 11.927 344 HD2 TYR 80 HD2 TYR 80 22.418 25.639 9.197 345 HE1 TYR 80 HE1 TYR 80 26.004 28.967 10.013 346 HE2 TYR 80 HE2 TYR 80 23.544 26.743 7.283 347 HH TYR 80 HH TYR 80 24.985 28.321 6.662 348 HB2 TYR 80 2HB TYR 80 22.354 25.137 11.501 349 HB3 TYR 80 1HB TYR 80 22.193 26.698 12.305 350 H GLU 81 HN GLU 81 24.474 27.393 14.603 351 HA GLU 81 HA GLU 81 23.617 26.239 17.017 352 HB2 GLU 81 2HB GLU 81 24.879 28.426 16.723 353 HB3 GLU 81 1HB GLU 81 23.331 29.178 16.341 354 HG2 GLU 81 2HG GLU 81 22.441 28.404 18.531 355 HG3 GLU 81 1HG GLU 81 24.025 27.728 18.913 356 H LYS 82 HN LYS 82 21.738 27.901 14.532 357 HA LYS 82 HA LYS 82 19.266 27.074 15.999 358 HB2 LYS 82 2HB LYS 82 19.698 29.633 14.427 359 HB3 LYS 82 1HB LYS 82 18.167 29.123 15.138 360 HG2 LYS 82 2HG LYS 82 19.379 29.025 17.375 361 HG3 LYS 82 1HG LYS 82 20.730 29.837 16.584 362 HD2 LYS 82 2HD LYS 82 17.894 30.911 16.625 363 HD3 LYS 82 1HD LYS 82 19.154 31.413 17.751 364 HE2 LYS 82 2HE LYS 82 20.542 31.863 15.567 365 HE3 LYS 82 1HE LYS 82 18.958 31.899 14.792 366 HZ1 LYS 82 3HZ LYS 82 20.092 33.715 16.792 367 HZ2 LYS 82 1HZ LYS 82 18.416 33.457 16.802 368 HZ3 LYS 82 2HZ LYS 82 19.171 34.066 15.408 369 H MET 83 HN MET 83 17.656 26.169 14.702 370 HA MET 83 HA MET 83 18.428 25.006 12.209 371 HB2 MET 83 2HB MET 83 15.720 25.422 13.498 372 HB3 MET 83 1HB MET 83 15.936 24.536 11.988 373 HG2 MET 83 2HG MET 83 17.455 22.965 13.104 374 HG3 MET 83 1HG MET 83 17.309 23.869 14.611 375 HE1 MET 83 3HE MET 83 16.204 23.447 16.195 376 HE2 MET 83 1HE MET 83 14.924 22.256 16.458 377 HE3 MET 83 2HE MET 83 14.515 23.906 15.995 378 H GLU 84 HN GLU 84 16.996 28.086 13.009 379 HA GLU 84 HA GLU 84 15.841 28.712 10.472 380 HB2 GLU 84 2HB GLU 84 17.073 30.527 12.565 381 HB3 GLU 84 1HB GLU 84 16.113 31.089 11.196 382 HG2 GLU 84 2HG GLU 84 14.214 29.688 11.990 383 HG3 GLU 84 1HG GLU 84 15.175 29.218 13.393 384 H SER 85 HN SER 85 19.140 29.121 11.735 385 HA SER 85 HA SER 85 20.165 30.576 9.492 386 HG SER 85 HG SER 85 20.611 30.099 12.553 387 HB2 SER 85 2HB SER 85 21.693 28.643 11.258 388 HB3 SER 85 1HB SER 85 22.359 29.987 10.330 389 H ALA 86 HN ALA 86 19.730 27.122 10.101 390 HA ALA 86 HA ALA 86 21.243 26.261 7.784 391 HB1 ALA 86 1HB ALA 86 20.102 24.076 8.175 392 HB2 ALA 86 2HB ALA 86 19.104 24.849 9.406 393 HB3 ALA 86 3HB ALA 86 20.848 24.720 9.638 394 H ASP 87 HN ASP 87 17.877 27.133 8.378 395 HA ASP 87 HA ASP 87 16.809 26.113 5.920 396 HB2 ASP 87 2HB ASP 87 15.420 26.835 7.865 397 HB3 ASP 87 1HB ASP 87 15.860 28.508 7.523 398 H GLN 88 HN GLN 88 18.166 29.287 6.804 399 HA GLN 88 HA GLN 88 17.679 30.497 4.236 400 HB2 GLN 88 2HB GLN 88 18.170 31.778 6.328 401 HB3 GLN 88 1HB GLN 88 19.831 31.189 6.259 402 HG2 GLN 88 2HG GLN 88 20.115 32.240 4.045 403 HG3 GLN 88 1HG GLN 88 18.451 32.820 4.103 404 HE21 GLN 88 1HE2 GLN 88 20.262 34.829 3.851 405 HE22 GLN 88 2HE2 GLN 88 20.518 35.636 5.323 406 H ALA 89 HN ALA 89 20.388 28.655 5.589 407 HA ALA 89 HA ALA 89 22.095 29.098 3.270 408 HB1 ALA 89 1HB ALA 89 22.265 27.692 5.839 409 HB2 ALA 89 2HB ALA 89 23.538 28.476 4.902 410 HB3 ALA 89 3HB ALA 89 23.052 26.823 4.522 411 H VAL 90 HN VAL 90 20.183 26.325 4.476 412 HA VAL 90 HA VAL 90 20.751 24.567 2.319 413 HB VAL 90 HB VAL 90 18.285 24.817 4.065 414 HG11 VAL 90 1HG1 VAL 90 19.095 22.708 2.048 415 HG12 VAL 90 2HG1 VAL 90 17.607 23.655 2.070 416 HG13 VAL 90 3HG1 VAL 90 17.891 22.427 3.305 417 HG21 VAL 90 3HG2 VAL 90 19.792 24.015 5.566 418 HG22 VAL 90 1HG2 VAL 90 20.941 23.562 4.306 419 HG23 VAL 90 2HG2 VAL 90 19.598 22.489 4.701 420 H ALA 91 HN ALA 91 18.541 27.280 2.566 421 HA ALA 91 HA ALA 91 17.106 26.602 0.110 422 HB1 ALA 91 1HB ALA 91 16.365 28.088 2.182 423 HB2 ALA 91 2HB ALA 91 15.786 28.455 0.557 424 HB3 ALA 91 3HB ALA 91 17.125 29.373 1.244 425 H GLU 92 HN GLU 92 19.390 29.213 1.019 426 HA GLU 92 HA GLU 92 19.712 30.095 -1.716 427 HB2 GLU 92 2HB GLU 92 21.448 30.570 0.725 428 HB3 GLU 92 1HB GLU 92 21.600 31.428 -0.807 429 HG2 GLU 92 2HG GLU 92 19.190 32.128 -0.552 430 HG3 GLU 92 1HG GLU 92 19.226 31.440 1.070 431 H LEU 93 HN LEU 93 21.609 27.978 0.428 432 HA LEU 93 HA LEU 93 23.767 27.595 -1.443 433 HG LEU 93 HG LEU 93 23.446 27.987 1.685 434 HB2 LEU 93 2HB LEU 93 22.814 25.832 0.834 435 HB3 LEU 93 1HB LEU 93 24.349 25.650 -0.015 436 HD11 LEU 93 1HD1 LEU 93 25.983 27.258 2.436 437 HD12 LEU 93 2HD1 LEU 93 25.290 25.704 1.970 438 HD13 LEU 93 3HD1 LEU 93 24.509 26.680 3.212 439 HD21 LEU 93 3HD2 LEU 93 25.476 27.803 -0.486 440 HD22 LEU 93 1HD2 LEU 93 25.961 28.647 0.984 441 HD23 LEU 93 2HD2 LEU 93 24.553 29.198 0.076 442 H ASN 94 HN ASN 94 20.789 25.767 -0.755 443 HA ASN 94 HA ASN 94 21.323 23.614 -2.563 444 HB2 ASN 94 2HB ASN 94 19.550 23.528 -0.839 445 HB3 ASN 94 1HB ASN 94 18.649 24.763 -1.716 446 HD21 ASN 94 1HD2 ASN 94 17.248 22.459 -1.435 447 HD22 ASN 94 2HD2 ASN 94 17.247 21.540 -2.862 448 H GLY 95 HN GLY 95 21.195 23.533 -4.767 449 HA2 GLY 95 2HA GLY 95 20.407 24.119 -6.939 450 HA3 GLY 95 1HA GLY 95 19.527 25.472 -6.229 451 H THR 96 HN THR 96 22.956 24.779 -5.695 452 HA THR 96 HA THR 96 23.599 27.256 -7.246 453 HB THR 96 HB THR 96 25.209 27.884 -5.589 454 HG1 THR 96 1HG THR 96 24.816 25.242 -4.757 455 HG21 THR 96 3HG2 THR 96 23.740 27.670 -3.420 456 HG22 THR 96 1HG2 THR 96 22.547 26.995 -4.528 457 HG23 THR 96 2HG2 THR 96 23.156 28.630 -4.778 458 H GLN 97 HN GLN 97 25.841 27.270 -8.105 459 HA GLN 97 HA GLN 97 26.941 24.511 -8.458 460 HB2 GLN 97 2HB GLN 97 25.726 25.257 -10.497 461 HB3 GLN 97 1HB GLN 97 26.775 26.673 -10.581 462 HG2 GLN 97 2HG GLN 97 28.749 25.175 -10.750 463 HG3 GLN 97 1HG GLN 97 27.673 23.778 -10.728 464 HE21 GLN 97 1HE2 GLN 97 29.201 23.953 -12.985 465 HE22 GLN 97 2HE2 GLN 97 28.295 24.513 -14.307 466 H VAL 98 HN VAL 98 29.261 24.452 -8.822 467 HA VAL 98 HA VAL 98 30.627 26.863 -7.709 468 HB VAL 98 HB VAL 98 32.026 24.231 -7.958 469 HG11 VAL 98 1HG1 VAL 98 32.238 25.464 -5.403 470 HG12 VAL 98 2HG1 VAL 98 32.351 26.746 -6.608 471 HG13 VAL 98 3HG1 VAL 98 33.466 25.381 -6.666 472 HG21 VAL 98 3HG2 VAL 98 30.994 23.753 -5.604 473 HG22 VAL 98 1HG2 VAL 98 30.056 23.344 -7.040 474 HG23 VAL 98 2HG2 VAL 98 29.697 24.820 -6.143 475 H GLU 99 HN GLU 99 33.249 25.959 -8.615 476 HA GLU 99 HA GLU 99 33.421 27.296 -11.102 477 HB2 GLU 99 2HB GLU 99 35.260 25.198 -9.914 478 HB3 GLU 99 1HB GLU 99 35.669 26.222 -11.290 479 HG2 GLU 99 2HG GLU 99 35.283 28.232 -9.863 480 HG3 GLU 99 1HG GLU 99 34.985 27.167 -8.489 481 H SER 100 HN SER 100 32.960 23.857 -10.371 482 HA SER 100 HA SER 100 31.863 23.427 -13.046 483 HG SER 100 HG SER 100 33.509 22.049 -14.867 484 HB2 SER 100 2HB SER 100 34.359 23.260 -13.378 485 HB3 SER 100 1HB SER 100 34.357 21.894 -12.260 486 H VAL 101 HN VAL 101 31.279 23.078 -10.068 487 HA VAL 101 HA VAL 101 30.275 20.284 -10.318 488 HB VAL 101 HB VAL 101 31.594 21.419 -7.831 489 HG11 VAL 101 1HG1 VAL 101 31.415 18.820 -7.327 490 HG12 VAL 101 2HG1 VAL 101 30.076 18.915 -8.471 491 HG13 VAL 101 3HG1 VAL 101 30.053 19.893 -7.003 492 HG21 VAL 101 3HG2 VAL 101 32.578 19.089 -9.469 493 HG22 VAL 101 1HG2 VAL 101 33.465 20.073 -8.305 494 HG23 VAL 101 2HG2 VAL 101 33.047 20.737 -9.884 495 H GLN 102 HN GLN 102 28.352 19.896 -9.037 496 HA GLN 102 HA GLN 102 26.867 22.410 -8.464 497 HB2 GLN 102 2HB GLN 102 25.891 19.556 -8.796 498 HB3 GLN 102 1HB GLN 102 24.856 20.956 -8.517 499 HG2 GLN 102 2HG GLN 102 25.662 21.982 -10.605 500 HG3 GLN 102 1HG GLN 102 26.729 20.603 -10.880 501 HE21 GLN 102 1HE2 GLN 102 24.733 21.232 -12.797 502 HE22 GLN 102 2HE2 GLN 102 23.540 20.026 -12.771 503 H LEU 103 HN LEU 103 25.825 22.704 -6.434 504 HA LEU 103 HA LEU 103 26.911 20.960 -4.266 505 HG LEU 103 HG LEU 103 28.200 23.448 -5.183 506 HB2 LEU 103 2HB LEU 103 25.947 23.833 -4.210 507 HB3 LEU 103 1HB LEU 103 26.426 22.921 -2.779 508 HD11 LEU 103 1HD1 LEU 103 29.397 24.993 -3.725 509 HD12 LEU 103 2HD1 LEU 103 28.318 24.611 -2.384 510 HD13 LEU 103 3HD1 LEU 103 27.700 25.470 -3.796 511 HD21 LEU 103 3HD2 LEU 103 28.320 21.482 -3.143 512 HD22 LEU 103 1HD2 LEU 103 29.551 22.683 -2.756 513 HD23 LEU 103 2HD2 LEU 103 29.568 21.878 -4.325 514 H LYS 104 HN LYS 104 25.486 19.925 -2.905 515 HA LYS 104 HA LYS 104 22.577 20.501 -3.308 516 HB2 LYS 104 2HB LYS 104 23.912 17.823 -2.806 517 HB3 LYS 104 1HB LYS 104 22.170 18.086 -2.890 518 HG2 LYS 104 2HG LYS 104 22.399 18.901 -5.205 519 HG3 LYS 104 1HG LYS 104 24.144 18.661 -5.122 520 HD2 LYS 104 2HD LYS 104 23.258 16.720 -6.212 521 HD3 LYS 104 1HD LYS 104 23.651 16.220 -4.567 522 HE2 LYS 104 2HE LYS 104 20.959 17.302 -4.709 523 HE3 LYS 104 1HE LYS 104 21.163 15.967 -5.843 524 HZ1 LYS 104 3HZ LYS 104 20.707 14.779 -3.993 525 HZ2 LYS 104 1HZ LYS 104 21.286 15.968 -2.932 526 HZ3 LYS 104 2HZ LYS 104 22.379 14.948 -3.739 527 H VAL 105 HN VAL 105 21.362 20.697 -1.432 528 HA VAL 105 HA VAL 105 22.830 20.268 1.141 529 HB VAL 105 HB VAL 105 20.730 22.385 0.583 530 HG11 VAL 105 1HG1 VAL 105 22.342 21.527 2.954 531 HG12 VAL 105 2HG1 VAL 105 20.679 22.110 2.880 532 HG13 VAL 105 3HG1 VAL 105 22.018 23.249 2.752 533 HG21 VAL 105 3HG2 VAL 105 23.360 23.408 1.165 534 HG22 VAL 105 1HG2 VAL 105 22.358 23.694 -0.258 535 HG23 VAL 105 2HG2 VAL 105 23.452 22.311 -0.213 536 H ASN 106 HN ASN 106 21.742 19.095 2.689 537 HA ASN 106 HA ASN 106 18.836 18.603 2.316 538 HB2 ASN 106 2HB ASN 106 20.982 16.473 2.487 539 HB3 ASN 106 1HB ASN 106 19.276 16.143 2.787 540 HD21 ASN 106 1HD2 ASN 106 20.752 14.985 0.568 541 HD22 ASN 106 2HD2 ASN 106 20.075 15.586 -0.867 542 H ILE 107 HN ILE 107 18.200 17.044 4.339 543 HA ILE 107 HA ILE 107 19.284 18.474 6.717 544 HB ILE 107 HB ILE 107 16.768 16.800 6.461 545 HG12 ILE 107 2HG1 ILE 107 17.180 19.801 6.397 546 HG13 ILE 107 1HG1 ILE 107 16.631 18.798 5.056 547 HG21 ILE 107 1HG2 ILE 107 16.911 18.822 8.562 548 HG22 ILE 107 2HG2 ILE 107 18.176 17.603 8.726 549 HG23 ILE 107 3HG2 ILE 107 16.481 17.116 8.680 550 HD11 ILE 107 3HD1 ILE 107 14.609 18.199 6.274 551 HD12 ILE 107 1HD1 ILE 107 14.756 19.956 6.252 552 HD13 ILE 107 2HD1 ILE 107 15.178 19.054 7.707 553 H ALA 108 HN ALA 108 20.303 17.347 8.351 554 HA ALA 108 HA ALA 108 20.439 14.372 8.054 555 HB1 ALA 108 1HB ALA 108 22.559 15.538 7.374 556 HB2 ALA 108 2HB ALA 108 22.768 14.444 8.742 557 HB3 ALA 108 3HB ALA 108 22.675 16.184 9.011 558 H ARG 109 HN ARG 109 20.261 13.200 9.973 559 HA ARG 109 HA ARG 109 19.682 14.826 12.415 560 HE ARG 109 HE ARG 109 15.621 13.409 9.319 561 HB2 ARG 109 2HB ARG 109 18.790 11.984 11.864 562 HB3 ARG 109 1HB ARG 109 18.213 13.062 13.134 563 HG2 ARG 109 2HG ARG 109 17.232 14.558 11.468 564 HG3 ARG 109 1HG ARG 109 17.885 13.570 10.162 565 HD2 ARG 109 2HD ARG 109 16.557 11.628 11.068 566 HD3 ARG 109 1HD ARG 109 15.801 12.746 12.203 567 HH11 ARG 109 1HH1 ARG 109 13.875 14.789 11.242 568 HH12 ARG 109 2HH1 ARG 109 12.395 13.896 11.143 569 HH21 ARG 109 1HH2 ARG 109 13.847 11.147 9.608 570 HH22 ARG 109 2HH2 ARG 109 12.378 11.835 10.218 571 H LYS 110 HN LYS 110 22.365 14.166 11.708 572 HA LYS 110 HA LYS 110 23.145 11.798 13.246 573 HB2 LYS 110 2HB LYS 110 24.753 14.001 11.925 574 HB3 LYS 110 1HB LYS 110 25.475 12.621 12.753 575 HG2 LYS 110 2HG LYS 110 24.202 11.100 11.229 576 HG3 LYS 110 1HG LYS 110 23.619 12.517 10.356 577 HD2 LYS 110 2HD LYS 110 25.998 13.161 9.915 578 HD3 LYS 110 1HD LYS 110 26.509 11.654 10.675 579 HE2 LYS 110 2HE LYS 110 24.561 11.726 8.360 580 HE3 LYS 110 1HE LYS 110 26.305 11.604 8.125 581 HZ1 LYS 110 3HZ LYS 110 26.385 9.543 9.125 582 HZ2 LYS 110 1HZ LYS 110 24.914 9.462 8.284 583 HZ3 LYS 110 2HZ LYS 110 24.920 9.759 9.958 584 H GLN 111 HN GLN 111 22.388 15.024 13.980 585 HA GLN 111 HA GLN 111 23.932 14.826 16.529 586 HB2 GLN 111 2HB GLN 111 24.214 17.146 16.564 587 HB3 GLN 111 1HB GLN 111 24.357 16.783 14.850 588 HG2 GLN 111 2HG GLN 111 22.098 18.114 16.322 589 HG3 GLN 111 1HG GLN 111 22.898 18.598 14.828 590 HE21 GLN 111 1HE2 GLN 111 19.985 17.493 15.849 591 HE22 GLN 111 2HE2 GLN 111 19.509 16.594 14.490 592 HA PRO 112 HA PRO 112 19.254 14.511 17.280 593 HB2 PRO 112 2HB PRO 112 19.357 12.137 18.578 594 HB3 PRO 112 1HB PRO 112 19.141 12.274 16.831 595 HG2 PRO 112 2HG PRO 112 21.643 11.731 18.394 596 HG3 PRO 112 1HG PRO 112 21.050 10.929 16.934 597 HD2 PRO 112 1HD PRO 112 22.964 12.812 16.814 598 HD3 PRO 112 2HD PRO 112 21.744 12.661 15.548 599 H MET 113 HN MET 113 22.136 14.828 18.997 600 HA MET 113 HA MET 113 21.352 14.428 21.689 601 HB2 MET 113 2HB MET 113 23.227 15.742 22.288 602 HB3 MET 113 1HB MET 113 23.676 15.060 20.726 603 HG2 MET 113 2HG MET 113 22.284 17.435 20.128 604 HG3 MET 113 1HG MET 113 23.346 17.842 21.473 605 HE1 MET 113 3HE MET 113 23.767 19.379 19.033 606 HE2 MET 113 1HE MET 113 23.051 18.158 17.971 607 HE3 MET 113 2HE MET 113 24.699 18.716 17.694 608 H LEU 114 HN LEU 114 20.439 16.866 19.397 609 HA LEU 114 HA LEU 114 18.553 17.993 21.354 610 HG LEU 114 HG LEU 114 18.685 19.641 22.505 611 HB2 LEU 114 2HB LEU 114 20.982 19.232 21.133 612 HB3 LEU 114 1HB LEU 114 20.052 20.082 19.903 613 HD11 LEU 114 1HD1 LEU 114 19.974 21.035 23.785 614 HD12 LEU 114 2HD1 LEU 114 20.462 22.018 22.404 615 HD13 LEU 114 3HD1 LEU 114 21.255 20.473 22.711 616 HD21 LEU 114 3HD2 LEU 114 18.509 21.323 20.164 617 HD22 LEU 114 1HD2 LEU 114 18.614 22.326 21.610 618 HD23 LEU 114 2HD2 LEU 114 17.338 21.118 21.466 619 H ASP 115 HN ASP 115 18.792 16.629 18.577 620 HA ASP 115 HA ASP 115 17.826 16.880 16.426 621 HB2 ASP 115 2HB ASP 115 15.690 18.058 18.231 622 HB3 ASP 115 1HB ASP 115 15.426 17.505 16.578 623 H ALA 116 HN ALA 116 19.628 18.968 16.947 624 HA ALA 116 HA ALA 116 20.187 20.991 15.848 625 HB1 ALA 116 1HB ALA 116 18.909 21.597 14.083 626 HB2 ALA 116 2HB ALA 116 17.481 21.803 15.099 627 HB3 ALA 116 3HB ALA 116 17.900 20.205 14.480 628 H ALA 117 HN ALA 117 16.824 21.631 16.844 629 HA ALA 117 HA ALA 117 17.605 22.899 19.320 630 HB1 ALA 117 1HB ALA 117 17.898 25.047 18.696 631 HB2 ALA 117 2HB ALA 117 16.451 25.013 17.688 632 HB3 ALA 117 3HB ALA 117 17.994 24.456 17.036 633 H THR 118 HN THR 118 15.738 21.054 19.186 634 HA THR 118 HA THR 118 13.149 22.545 19.074 635 HB THR 118 HB THR 118 13.574 19.563 18.712 636 HG1 THR 118 1HG THR 118 14.353 20.521 16.913 637 HG21 THR 118 3HG2 THR 118 11.139 20.399 17.611 638 HG22 THR 118 1HG2 THR 118 11.252 21.251 19.150 639 HG23 THR 118 2HG2 THR 118 11.359 19.491 19.107 640 H GLY 119 HN GLY 119 11.677 22.181 20.806 641 HA2 GLY 119 1HA GLY 119 12.571 20.450 23.036 642 HA3 GLY 119 2HA GLY 119 12.395 22.171 23.381 643 H LYS 120 HN LYS 120 10.772 20.779 24.893 644 HA LYS 120 HA LYS 120 8.229 20.162 23.568 645 HB2 LYS 120 2HB LYS 120 8.879 20.356 26.525 646 HB3 LYS 120 1HB LYS 120 7.436 19.626 25.820 647 HG2 LYS 120 2HG LYS 120 10.274 18.695 25.290 648 HG3 LYS 120 1HG LYS 120 9.164 17.930 26.428 649 HD2 LYS 120 2HD LYS 120 7.550 17.602 24.528 650 HD3 LYS 120 1HD LYS 120 8.791 18.206 23.431 651 HE2 LYS 120 2HE LYS 120 9.016 15.837 23.369 652 HE3 LYS 120 1HE LYS 120 10.317 16.391 24.424 653 HZ1 LYS 120 3HZ LYS 120 8.399 16.087 26.206 654 HZ2 LYS 120 1HZ LYS 120 9.438 14.821 25.766 655 HZ3 LYS 120 2HZ LYS 120 7.888 14.922 25.080 656 H SER 121 HN SER 121 6.336 21.414 23.715 657 HA SER 121 HA SER 121 6.795 24.267 24.362 658 HG SER 121 HG SER 121 6.637 23.948 21.914 659 HB2 SER 121 2HB SER 121 4.291 23.021 23.205 660 HB3 SER 121 1HB SER 121 4.795 24.709 23.121 Start of MODEL 19 1 H ALA 35 HN ALA 35 17.981 25.124 28.074 2 HA ALA 35 HA ALA 35 20.193 25.447 27.274 3 HB1 ALA 35 1HB ALA 35 18.940 24.175 24.825 4 HB2 ALA 35 2HB ALA 35 19.353 23.280 26.287 5 HB3 ALA 35 3HB ALA 35 20.622 24.058 25.343 6 HA PRO 36 HA PRO 36 19.705 29.350 25.003 7 HB2 PRO 36 2HB PRO 36 22.168 30.281 25.621 8 HB3 PRO 36 1HB PRO 36 20.799 30.372 26.733 9 HG2 PRO 36 2HG PRO 36 23.046 28.392 26.647 10 HG3 PRO 36 1HG PRO 36 22.333 29.203 28.046 11 HD2 PRO 36 2HD PRO 36 21.700 26.660 27.391 12 HD3 PRO 36 1HD PRO 36 20.529 27.756 28.126 13 H ARG 37 HN ARG 37 21.669 26.652 24.432 14 HA ARG 37 HA ARG 37 22.600 27.863 21.860 15 HE ARG 37 HE ARG 37 26.627 28.958 25.397 16 HB2 ARG 37 2HB ARG 37 24.096 25.950 23.678 17 HB3 ARG 37 1HB ARG 37 24.612 26.371 22.045 18 HG2 ARG 37 2HG ARG 37 24.621 28.785 22.741 19 HG3 ARG 37 1HG ARG 37 24.282 28.263 24.392 20 HD2 ARG 37 2HD ARG 37 26.357 26.804 24.236 21 HD3 ARG 37 1HD ARG 37 26.729 27.631 22.724 22 HH11 ARG 37 1HH1 ARG 37 26.184 30.445 22.669 23 HH12 ARG 37 2HH1 ARG 37 27.758 31.137 22.461 24 HH21 ARG 37 1HH2 ARG 37 29.243 29.148 24.882 25 HH22 ARG 37 2HH2 ARG 37 29.490 30.403 23.714 26 H LYS 38 HN LYS 38 22.131 26.645 20.063 27 HA LYS 38 HA LYS 38 21.258 23.822 20.484 28 HB2 LYS 38 2HB LYS 38 19.855 25.744 18.612 29 HB3 LYS 38 1HB LYS 38 19.336 24.124 19.078 30 HG2 LYS 38 2HG LYS 38 19.186 24.956 21.459 31 HG3 LYS 38 1HG LYS 38 19.480 26.582 20.845 32 HD2 LYS 38 2HD LYS 38 17.484 26.420 19.417 33 HD3 LYS 38 1HD LYS 38 17.199 24.774 19.985 34 HE2 LYS 38 2HE LYS 38 15.775 26.090 21.337 35 HE3 LYS 38 1HE LYS 38 17.186 25.814 22.359 36 HZ1 LYS 38 3HZ LYS 38 16.973 28.057 22.552 37 HZ2 LYS 38 1HZ LYS 38 16.322 28.258 20.999 38 HZ3 LYS 38 2HZ LYS 38 17.990 28.000 21.191 39 H GLY 39 HN GLY 39 20.632 23.373 17.727 40 HA2 GLY 39 1HA GLY 39 22.757 24.268 16.000 41 HA3 GLY 39 2HA GLY 39 23.137 22.679 16.661 42 H ASN 40 HN ASN 40 22.796 22.884 13.945 43 HA ASN 40 HA ASN 40 20.406 21.203 13.539 44 HB2 ASN 40 2HB ASN 40 19.834 23.708 13.145 45 HB3 ASN 40 1HB ASN 40 20.821 23.552 11.692 46 HD21 ASN 40 1HD2 ASN 40 18.627 23.960 10.587 47 HD22 ASN 40 2HD2 ASN 40 17.620 22.621 10.318 48 H THR 41 HN THR 41 21.727 19.491 12.908 49 HA THR 41 HA THR 41 24.029 19.733 11.230 50 HB THR 41 HB THR 41 22.264 17.285 11.407 51 HG1 THR 41 1HG THR 41 24.012 16.999 13.204 52 HG21 THR 41 3HG2 THR 41 24.358 17.523 9.874 53 HG22 THR 41 1HG2 THR 41 24.209 16.085 10.885 54 HG23 THR 41 2HG2 THR 41 25.270 17.405 11.379 55 H LEU 42 HN LEU 42 24.223 19.834 9.033 56 HA LEU 42 HA LEU 42 21.722 19.518 7.419 57 HG LEU 42 HG LEU 42 23.177 22.082 8.828 58 HB2 LEU 42 2HB LEU 42 24.054 21.297 6.679 59 HB3 LEU 42 1HB LEU 42 22.429 21.298 5.998 60 HD11 LEU 42 1HD1 LEU 42 22.986 23.531 6.325 61 HD12 LEU 42 2HD1 LEU 42 23.515 24.111 7.904 62 HD13 LEU 42 3HD1 LEU 42 21.803 24.138 7.483 63 HD21 LEU 42 3HD2 LEU 42 20.826 22.586 9.135 64 HD22 LEU 42 1HD2 LEU 42 20.957 20.917 8.582 65 HD23 LEU 42 2HD2 LEU 42 20.477 22.184 7.454 66 H TYR 43 HN TYR 43 22.054 18.649 5.252 67 HA TYR 43 HA TYR 43 24.519 16.966 5.092 68 HD1 TYR 43 HD1 TYR 43 24.268 14.181 5.217 69 HD2 TYR 43 HD2 TYR 43 22.738 15.872 1.576 70 HE1 TYR 43 HE1 TYR 43 25.474 12.454 3.908 71 HE2 TYR 43 HE2 TYR 43 23.944 14.144 0.268 72 HH TYR 43 HH TYR 43 24.824 11.552 1.021 73 HB2 TYR 43 2HB TYR 43 22.330 15.756 5.200 74 HB3 TYR 43 1HB TYR 43 21.853 16.557 3.702 75 H VAL 44 HN VAL 44 25.932 17.443 3.472 76 HA VAL 44 HA VAL 44 24.888 19.001 1.140 77 HB VAL 44 HB VAL 44 27.594 19.336 2.472 78 HG11 VAL 44 1HG1 VAL 44 28.126 20.208 0.453 79 HG12 VAL 44 2HG1 VAL 44 27.032 21.530 0.859 80 HG13 VAL 44 3HG1 VAL 44 26.449 20.163 -0.091 81 HG21 VAL 44 3HG2 VAL 44 25.127 20.281 3.342 82 HG22 VAL 44 1HG2 VAL 44 25.775 21.628 2.406 83 HG23 VAL 44 2HG2 VAL 44 26.697 20.969 3.757 84 H TYR 45 HN TYR 45 25.514 18.220 -0.849 85 HA TYR 45 HA TYR 45 27.581 16.058 -0.866 86 HD1 TYR 45 HD1 TYR 45 26.856 13.228 -1.166 87 HD2 TYR 45 HD2 TYR 45 26.149 15.702 -4.606 88 HE1 TYR 45 HE1 TYR 45 27.952 11.536 -2.608 89 HE2 TYR 45 HE2 TYR 45 27.245 14.009 -6.049 90 HH TYR 45 HH TYR 45 28.543 10.983 -4.670 91 HB2 TYR 45 2HB TYR 45 25.294 15.112 -1.076 92 HB3 TYR 45 1HB TYR 45 25.017 16.134 -2.487 93 H GLY 46 HN GLY 46 29.096 16.245 -2.486 94 HA2 GLY 46 1HA GLY 46 28.648 17.619 -4.970 95 HA3 GLY 46 2HA GLY 46 29.508 18.672 -3.847 96 H GLU 47 HN GLU 47 31.273 18.457 -5.513 97 HA GLU 47 HA GLU 47 32.820 15.932 -5.072 98 HB2 GLU 47 2HB GLU 47 32.682 17.708 -7.524 99 HB3 GLU 47 1HB GLU 47 33.855 16.409 -7.317 100 HG2 GLU 47 2HG GLU 47 31.894 14.844 -6.933 101 HG3 GLU 47 1HG GLU 47 30.840 16.164 -7.441 102 H ASP 48 HN ASP 48 35.064 16.182 -4.687 103 HA ASP 48 HA ASP 48 36.851 17.295 -3.617 104 HB2 ASP 48 2HB ASP 48 36.258 19.284 -5.831 105 HB3 ASP 48 1HB ASP 48 37.792 19.092 -4.983 106 H MET 49 HN MET 49 34.708 17.750 -2.074 107 HA MET 49 HA MET 49 34.411 20.687 -1.746 108 HB2 MET 49 2HB MET 49 32.988 18.347 -0.455 109 HB3 MET 49 1HB MET 49 32.670 20.035 -0.058 110 HG2 MET 49 2HG MET 49 32.181 20.432 -2.500 111 HG3 MET 49 1HG MET 49 32.305 18.690 -2.750 112 HE1 MET 49 3HE MET 49 31.061 17.901 0.351 113 HE2 MET 49 1HE MET 49 31.192 17.039 -1.189 114 HE3 MET 49 2HE MET 49 29.620 17.244 -0.421 115 H THR 50 HN THR 50 35.323 21.770 -0.029 116 HA THR 50 HA THR 50 36.815 20.106 1.964 117 HB THR 50 HB THR 50 37.909 22.708 1.935 118 HG1 THR 50 1HG THR 50 37.148 23.190 -0.038 119 HG21 THR 50 3HG2 THR 50 39.510 21.126 2.287 120 HG22 THR 50 1HG2 THR 50 39.696 21.205 0.535 121 HG23 THR 50 2HG2 THR 50 38.703 19.940 1.260 122 HA PRO 51 HA PRO 51 34.586 22.100 5.227 123 HB2 PRO 51 2HB PRO 51 36.497 22.496 7.097 124 HB3 PRO 51 1HB PRO 51 35.840 20.902 6.717 125 HG2 PRO 51 2HG PRO 51 38.393 22.171 5.800 126 HG3 PRO 51 1HG PRO 51 38.107 20.515 6.343 127 HD2 PRO 51 1HD PRO 51 38.295 21.162 3.722 128 HD3 PRO 51 2HD PRO 51 37.261 19.853 4.298 129 H THR 52 HN THR 52 37.767 23.703 4.791 130 HA THR 52 HA THR 52 37.070 26.215 5.847 131 HB THR 52 HB THR 52 38.857 25.726 3.445 132 HG1 THR 52 1HG THR 52 40.476 25.500 5.008 133 HG21 THR 52 3HG2 THR 52 38.049 28.101 4.685 134 HG22 THR 52 1HG2 THR 52 39.424 27.899 3.600 135 HG23 THR 52 2HG2 THR 52 39.652 27.776 5.344 136 H LEU 53 HN LEU 53 36.735 25.061 2.482 137 HA LEU 53 HA LEU 53 35.570 27.457 1.454 138 HG LEU 53 HG LEU 53 33.654 26.676 -0.283 139 HB2 LEU 53 2HB LEU 53 36.435 25.584 0.043 140 HB3 LEU 53 1HB LEU 53 35.053 24.608 0.544 141 HD11 LEU 53 1HD1 LEU 53 34.676 28.184 -1.682 142 HD12 LEU 53 2HD1 LEU 53 35.841 27.001 -2.276 143 HD13 LEU 53 3HD1 LEU 53 36.084 27.767 -0.706 144 HD21 LEU 53 3HD2 LEU 53 34.115 25.679 -2.744 145 HD22 LEU 53 1HD2 LEU 53 33.205 24.793 -1.520 146 HD23 LEU 53 2HD2 LEU 53 34.911 24.432 -1.782 147 H LEU 54 HN LEU 54 33.945 24.413 2.440 148 HA LEU 54 HA LEU 54 31.295 25.346 2.244 149 HG LEU 54 HG LEU 54 32.285 23.179 1.491 150 HB2 LEU 54 2HB LEU 54 32.513 23.377 4.201 151 HB3 LEU 54 1HB LEU 54 30.778 23.618 4.000 152 HD11 LEU 54 1HD1 LEU 54 33.113 21.588 3.514 153 HD12 LEU 54 2HD1 LEU 54 32.974 21.021 1.850 154 HD13 LEU 54 3HD1 LEU 54 31.683 20.692 3.005 155 HD21 LEU 54 3HD2 LEU 54 29.796 23.370 1.684 156 HD22 LEU 54 1HD2 LEU 54 29.794 21.898 2.655 157 HD23 LEU 54 2HD2 LEU 54 30.314 21.843 0.970 158 H ARG 55 HN ARG 55 33.463 25.429 5.092 159 HA ARG 55 HA ARG 55 31.822 26.606 6.982 160 HE ARG 55 HE ARG 55 33.973 28.918 10.652 161 HB2 ARG 55 2HB ARG 55 34.257 26.054 7.292 162 HB3 ARG 55 1HB ARG 55 34.653 27.532 6.414 163 HG2 ARG 55 2HG ARG 55 33.466 28.875 8.081 164 HG3 ARG 55 1HG ARG 55 32.971 27.415 8.937 165 HD2 ARG 55 2HD ARG 55 35.390 26.860 9.280 166 HD3 ARG 55 1HD ARG 55 35.811 28.409 8.549 167 HH11 ARG 55 1HH1 ARG 55 37.001 29.704 10.028 168 HH12 ARG 55 2HH1 ARG 55 37.682 29.367 11.585 169 HH21 ARG 55 1HH2 ARG 55 34.908 27.622 12.716 170 HH22 ARG 55 2HH2 ARG 55 36.497 28.189 13.107 171 H GLY 56 HN GLY 56 33.524 28.284 4.337 172 HA2 GLY 56 2HA GLY 56 32.510 30.895 5.025 173 HA3 GLY 56 1HA GLY 56 33.210 30.446 3.469 174 H ALA 57 HN ALA 57 31.327 28.245 3.021 175 HA ALA 57 HA ALA 57 29.186 29.769 1.799 176 HB1 ALA 57 1HB ALA 57 28.778 26.863 2.118 177 HB2 ALA 57 2HB ALA 57 30.293 27.305 1.331 178 HB3 ALA 57 3HB ALA 57 28.758 27.847 0.655 179 H PHE 58 HN PHE 58 29.647 28.269 4.875 180 HA PHE 58 HA PHE 58 26.736 28.637 5.473 181 HD1 PHE 58 HD1 PHE 58 29.115 25.693 4.468 182 HD2 PHE 58 HD2 PHE 58 25.171 26.125 6.112 183 HE1 PHE 58 HE1 PHE 58 28.242 24.090 2.791 184 HE2 PHE 58 HE2 PHE 58 24.297 24.521 4.434 185 HZ PHE 58 HZ PHE 58 25.833 23.503 2.774 186 HB2 PHE 58 2HB PHE 58 28.746 26.715 6.683 187 HB3 PHE 58 1HB PHE 58 27.116 26.958 7.306 188 H SER 59 HN SER 59 29.528 30.207 5.782 189 HA SER 59 HA SER 59 29.597 30.753 8.637 190 HG SER 59 HG SER 59 32.158 31.579 8.758 191 HB2 SER 59 2HB SER 59 31.054 31.658 6.223 192 HB3 SER 59 1HB SER 59 30.964 32.826 7.541 193 HA PRO 60 HA PRO 60 27.535 34.926 7.234 194 HB2 PRO 60 2HB PRO 60 26.329 34.966 4.819 195 HB3 PRO 60 1HB PRO 60 28.016 35.425 5.063 196 HG2 PRO 60 2HG PRO 60 26.875 32.855 4.047 197 HG3 PRO 60 1HG PRO 60 28.286 33.749 3.476 198 HD2 PRO 60 2HD PRO 60 28.478 31.565 5.070 199 HD3 PRO 60 1HD PRO 60 29.658 32.873 5.106 200 H PHE 61 HN PHE 61 26.005 31.933 6.061 201 HA PHE 61 HA PHE 61 23.299 32.770 6.419 202 HD1 PHE 61 HD1 PHE 61 21.644 31.432 4.754 203 HD2 PHE 61 HD2 PHE 61 25.727 30.131 4.463 204 HE1 PHE 61 HE1 PHE 61 21.513 31.576 2.281 205 HE2 PHE 61 HE2 PHE 61 25.597 30.277 1.989 206 HZ PHE 61 HZ PHE 61 23.490 30.999 0.899 207 HB2 PHE 61 2HB PHE 61 24.595 30.039 6.549 208 HB3 PHE 61 1HB PHE 61 22.852 30.278 6.659 209 H GLY 62 HN GLY 62 25.571 31.169 8.655 210 HA2 GLY 62 1HA GLY 62 24.420 32.432 10.961 211 HA3 GLY 62 2HA GLY 62 23.819 30.779 10.829 212 H ASN 63 HN ASN 63 25.089 30.660 12.957 213 HA ASN 63 HA ASN 63 28.017 30.388 12.526 214 HB2 ASN 63 2HB ASN 63 26.351 30.317 15.061 215 HB3 ASN 63 1HB ASN 63 28.109 30.177 15.006 216 HD21 ASN 63 1HD2 ASN 63 26.449 32.373 16.229 217 HD22 ASN 63 2HD2 ASN 63 26.954 33.800 15.461 218 H ILE 64 HN ILE 64 29.069 28.397 12.792 219 HA ILE 64 HA ILE 64 27.254 26.031 12.854 220 HB ILE 64 HB ILE 64 30.134 26.202 11.920 221 HG12 ILE 64 2HG1 ILE 64 27.705 25.928 10.155 222 HG13 ILE 64 1HG1 ILE 64 28.303 27.519 10.626 223 HG21 ILE 64 1HG2 ILE 64 29.615 23.951 12.528 224 HG22 ILE 64 2HG2 ILE 64 29.424 24.026 10.777 225 HG23 ILE 64 3HG2 ILE 64 28.003 24.057 11.822 226 HD11 ILE 64 3HD1 ILE 64 29.602 25.437 8.905 227 HD12 ILE 64 1HD1 ILE 64 30.629 26.515 9.850 228 HD13 ILE 64 2HD1 ILE 64 29.504 27.181 8.666 229 H ILE 65 HN ILE 65 27.345 24.677 14.588 230 HA ILE 65 HA ILE 65 29.404 25.222 16.657 231 HB ILE 65 HB ILE 65 27.957 24.037 18.179 232 HG12 ILE 65 2HG1 ILE 65 26.339 23.279 15.726 233 HG13 ILE 65 1HG1 ILE 65 27.366 22.184 16.650 234 HG21 ILE 65 1HG2 ILE 65 25.683 25.243 16.937 235 HG22 ILE 65 2HG2 ILE 65 27.086 26.256 16.600 236 HG23 ILE 65 3HG2 ILE 65 26.655 25.870 18.267 237 HD11 ILE 65 3HD1 ILE 65 25.110 23.740 17.927 238 HD12 ILE 65 1HD1 ILE 65 25.975 22.350 18.582 239 HD13 ILE 65 2HD1 ILE 65 24.870 22.141 17.223 240 H ASP 66 HN ASP 66 28.515 22.859 14.279 241 HA ASP 66 HA ASP 66 30.839 21.216 15.118 242 HB2 ASP 66 2HB ASP 66 28.774 20.223 16.155 243 HB3 ASP 66 1HB ASP 66 28.121 20.004 14.531 244 H LEU 67 HN LEU 67 32.058 21.347 13.286 245 HA LEU 67 HA LEU 67 30.662 21.103 10.657 246 HG LEU 67 HG LEU 67 33.051 20.987 9.076 247 HB2 LEU 67 2HB LEU 67 31.984 23.148 10.888 248 HB3 LEU 67 1HB LEU 67 33.404 22.206 11.343 249 HD11 LEU 67 1HD1 LEU 67 31.620 23.580 8.446 250 HD12 LEU 67 2HD1 LEU 67 30.765 22.074 8.781 251 HD13 LEU 67 3HD1 LEU 67 31.842 22.186 7.388 252 HD21 LEU 67 3HD2 LEU 67 34.639 22.387 8.136 253 HD22 LEU 67 1HD2 LEU 67 34.733 22.915 9.816 254 HD23 LEU 67 2HD2 LEU 67 33.801 23.852 8.649 255 H SER 68 HN SER 68 30.850 19.147 9.687 256 HA SER 68 HA SER 68 33.335 17.564 10.184 257 HG SER 68 HG SER 68 31.547 14.526 10.315 258 HB2 SER 68 2HB SER 68 31.372 16.686 11.500 259 HB3 SER 68 1HB SER 68 30.546 16.396 9.970 260 H MET 69 HN MET 69 34.184 16.598 8.348 261 HA MET 69 HA MET 69 32.651 17.032 5.815 262 HB2 MET 69 2HB MET 69 35.645 16.947 6.295 263 HB3 MET 69 1HB MET 69 34.893 17.065 4.705 264 HG2 MET 69 2HG MET 69 34.437 19.044 6.958 265 HG3 MET 69 1HG MET 69 35.580 19.289 5.637 266 HE1 MET 69 3HE MET 69 34.262 19.923 2.734 267 HE2 MET 69 1HE MET 69 33.383 18.388 2.719 268 HE3 MET 69 2HE MET 69 34.985 18.483 3.447 269 H ASP 70 HN ASP 70 32.717 15.324 4.248 270 HA ASP 70 HA ASP 70 33.799 12.725 5.248 271 HB2 ASP 70 2HB ASP 70 31.136 13.271 5.290 272 HB3 ASP 70 1HB ASP 70 31.298 12.622 3.658 273 HA PRO 71 HA PRO 71 35.377 13.376 1.011 274 HB2 PRO 71 2HB PRO 71 37.681 12.022 1.384 275 HB3 PRO 71 1HB PRO 71 37.461 13.715 1.829 276 HG2 PRO 71 2HG PRO 71 37.486 11.291 3.547 277 HG3 PRO 71 1HG PRO 71 38.063 12.918 3.899 278 HD2 PRO 71 2HD PRO 71 35.664 11.878 4.801 279 HD3 PRO 71 1HD PRO 71 36.029 13.597 4.671 280 HA PRO 72 HA PRO 72 35.457 8.545 0.548 281 HB2 PRO 72 2HB PRO 72 34.086 7.123 2.380 282 HB3 PRO 72 1HB PRO 72 35.806 7.480 2.537 283 HG2 PRO 72 2HG PRO 72 33.471 8.756 3.878 284 HG3 PRO 72 1HG PRO 72 35.073 8.396 4.526 285 HD2 PRO 72 1HD PRO 72 34.273 10.883 3.700 286 HD3 PRO 72 2HD PRO 72 35.950 10.358 3.758 287 H ARG 73 HN ARG 73 32.669 10.232 1.886 288 HA ARG 73 HA ARG 73 30.914 8.748 -0.022 289 HE ARG 73 HE ARG 73 29.200 6.066 4.303 290 HB2 ARG 73 2HB ARG 73 30.192 10.379 2.431 291 HB3 ARG 73 1HB ARG 73 29.037 9.557 1.382 292 HG2 ARG 73 2HG ARG 73 30.177 7.396 1.882 293 HG3 ARG 73 1HG ARG 73 31.242 8.245 3.001 294 HD2 ARG 73 2HD ARG 73 29.189 9.025 4.240 295 HD3 ARG 73 1HD ARG 73 28.230 7.968 3.203 296 HH11 ARG 73 1HH1 ARG 73 29.135 8.662 6.283 297 HH12 ARG 73 2HH1 ARG 73 30.480 8.215 7.278 298 HH21 ARG 73 1HH2 ARG 73 31.523 5.658 5.181 299 HH22 ARG 73 2HH2 ARG 73 31.833 6.514 6.654 300 H ASN 74 HN ASN 74 32.614 11.585 0.219 301 HA ASN 74 HA ASN 74 32.500 13.598 -0.978 302 HB2 ASN 74 2HB ASN 74 30.371 12.069 -2.507 303 HB3 ASN 74 1HB ASN 74 31.086 13.596 -3.022 304 HD21 ASN 74 1HD2 ASN 74 31.358 11.251 -4.628 305 HD22 ASN 74 2HD2 ASN 74 32.986 10.770 -4.614 306 H CYS 75 HN CYS 75 31.063 13.471 1.442 307 HA CYS 75 HA CYS 75 28.949 15.466 0.864 308 HG CYS 75 HG CYS 75 29.160 12.935 3.764 309 HB2 CYS 75 2HB CYS 75 27.334 14.331 2.335 310 HB3 CYS 75 1HB CYS 75 27.774 13.289 0.983 311 H ALA 76 HN ALA 76 28.774 17.003 2.509 312 HA ALA 76 HA ALA 76 30.648 16.632 4.812 313 HB1 ALA 76 1HB ALA 76 31.361 18.456 3.367 314 HB2 ALA 76 2HB ALA 76 30.735 19.135 4.869 315 HB3 ALA 76 3HB ALA 76 29.746 19.165 3.408 316 H PHE 77 HN PHE 77 29.941 17.726 6.843 317 HA PHE 77 HA PHE 77 26.957 17.843 7.045 318 HD1 PHE 77 HD1 PHE 77 25.553 15.683 7.959 319 HD2 PHE 77 HD2 PHE 77 29.772 14.895 7.773 320 HE1 PHE 77 HE1 PHE 77 25.097 13.501 6.871 321 HE2 PHE 77 HE2 PHE 77 29.316 12.712 6.687 322 HZ PHE 77 HZ PHE 77 26.979 12.015 6.236 323 HB2 PHE 77 2HB PHE 77 28.950 16.738 9.048 324 HB3 PHE 77 1HB PHE 77 27.226 16.942 9.361 325 H VAL 78 HN VAL 78 26.187 19.722 7.924 326 HA VAL 78 HA VAL 78 28.118 21.427 9.446 327 HB VAL 78 HB VAL 78 26.033 22.423 7.488 328 HG11 VAL 78 1HG1 VAL 78 26.345 24.359 8.606 329 HG12 VAL 78 2HG1 VAL 78 27.993 24.362 7.976 330 HG13 VAL 78 3HG1 VAL 78 27.656 23.665 9.560 331 HG21 VAL 78 3HG2 VAL 78 27.745 22.738 5.908 332 HG22 VAL 78 1HG2 VAL 78 28.132 21.160 6.593 333 HG23 VAL 78 2HG2 VAL 78 29.017 22.591 7.120 334 H THR 79 HN THR 79 27.325 22.145 11.382 335 HA THR 79 HA THR 79 24.441 21.617 11.941 336 HB THR 79 HB THR 79 26.594 22.136 13.996 337 HG1 THR 79 1HG THR 79 25.724 19.639 12.972 338 HG21 THR 79 3HG2 THR 79 23.782 21.098 13.973 339 HG22 THR 79 1HG2 THR 79 24.535 22.258 15.067 340 HG23 THR 79 2HG2 THR 79 24.893 20.537 15.223 341 H TYR 80 HN TYR 80 23.146 23.382 12.074 342 HA TYR 80 HA TYR 80 24.429 26.045 12.448 343 HD1 TYR 80 HD1 TYR 80 24.561 27.739 11.531 344 HD2 TYR 80 HD2 TYR 80 22.229 25.418 8.773 345 HE1 TYR 80 HE1 TYR 80 25.818 28.729 9.635 346 HE2 TYR 80 HE2 TYR 80 23.483 26.407 6.877 347 HH TYR 80 HH TYR 80 25.871 28.974 7.398 348 HB2 TYR 80 2HB TYR 80 21.980 25.062 11.072 349 HB3 TYR 80 1HB TYR 80 21.872 26.650 11.833 350 H GLU 81 HN GLU 81 24.188 27.055 14.389 351 HA GLU 81 HA GLU 81 23.136 25.962 16.694 352 HB2 GLU 81 2HB GLU 81 24.409 28.123 16.547 353 HB3 GLU 81 1HB GLU 81 22.925 28.905 16.004 354 HG2 GLU 81 2HG GLU 81 21.799 28.192 18.093 355 HG3 GLU 81 1HG GLU 81 23.302 27.447 18.639 356 H LYS 82 HN LYS 82 21.335 28.046 14.410 357 HA LYS 82 HA LYS 82 18.824 27.092 15.727 358 HB2 LYS 82 2HB LYS 82 19.303 29.556 14.021 359 HB3 LYS 82 1HB LYS 82 17.758 29.096 14.738 360 HG2 LYS 82 2HG LYS 82 18.825 29.191 16.994 361 HG3 LYS 82 1HG LYS 82 20.310 29.766 16.236 362 HD2 LYS 82 2HD LYS 82 18.937 31.659 15.243 363 HD3 LYS 82 1HD LYS 82 17.613 31.142 16.286 364 HE2 LYS 82 2HE LYS 82 19.808 31.250 18.000 365 HE3 LYS 82 1HE LYS 82 20.015 32.659 16.960 366 HZ1 LYS 82 3HZ LYS 82 17.686 33.248 17.434 367 HZ2 LYS 82 1HZ LYS 82 18.657 33.249 18.825 368 HZ3 LYS 82 2HZ LYS 82 17.597 31.954 18.531 369 H MET 83 HN MET 83 17.061 26.469 14.323 370 HA MET 83 HA MET 83 17.940 25.019 11.970 371 HB2 MET 83 2HB MET 83 15.143 25.619 12.983 372 HB3 MET 83 1HB MET 83 15.542 24.450 11.724 373 HG2 MET 83 2HG MET 83 16.894 23.162 13.310 374 HG3 MET 83 1HG MET 83 16.594 24.360 14.569 375 HE1 MET 83 3HE MET 83 15.307 21.190 15.515 376 HE2 MET 83 1HE MET 83 14.558 22.482 16.462 377 HE3 MET 83 2HE MET 83 16.219 22.647 15.900 378 H GLU 84 HN GLU 84 16.874 28.230 12.540 379 HA GLU 84 HA GLU 84 15.711 28.736 9.936 380 HB2 GLU 84 2HB GLU 84 16.900 30.606 12.005 381 HB3 GLU 84 1HB GLU 84 16.044 31.142 10.559 382 HG2 GLU 84 2HG GLU 84 14.887 29.357 12.723 383 HG3 GLU 84 1HG GLU 84 14.538 31.074 12.523 384 H SER 85 HN SER 85 18.957 29.152 11.333 385 HA SER 85 HA SER 85 20.157 30.474 9.123 386 HG SER 85 HG SER 85 22.721 30.212 9.381 387 HB2 SER 85 2HB SER 85 21.394 30.328 11.172 388 HB3 SER 85 1HB SER 85 21.288 28.567 11.185 389 H ALA 86 HN ALA 86 19.640 27.020 9.768 390 HA ALA 86 HA ALA 86 21.089 26.084 7.461 391 HB1 ALA 86 1HB ALA 86 19.974 23.954 7.874 392 HB2 ALA 86 2HB ALA 86 18.780 24.744 8.902 393 HB3 ALA 86 3HB ALA 86 20.464 24.650 9.419 394 H ASP 87 HN ASP 87 17.709 26.998 8.019 395 HA ASP 87 HA ASP 87 16.648 26.092 5.540 396 HB2 ASP 87 2HB ASP 87 15.317 26.945 7.507 397 HB3 ASP 87 1HB ASP 87 15.797 28.578 7.048 398 H GLN 88 HN GLN 88 18.216 29.164 6.419 399 HA GLN 88 HA GLN 88 17.855 30.316 3.775 400 HB2 GLN 88 2HB GLN 88 18.185 31.669 5.866 401 HB3 GLN 88 1HB GLN 88 19.854 31.103 5.914 402 HG2 GLN 88 2HG GLN 88 20.214 32.058 3.644 403 HG3 GLN 88 1HG GLN 88 18.564 32.683 3.667 404 HE21 GLN 88 1HE2 GLN 88 20.503 34.607 3.409 405 HE22 GLN 88 2HE2 GLN 88 20.729 35.450 4.867 406 H ALA 89 HN ALA 89 20.532 28.683 5.463 407 HA ALA 89 HA ALA 89 22.401 28.980 3.282 408 HB1 ALA 89 1HB ALA 89 23.853 27.999 4.718 409 HB2 ALA 89 2HB ALA 89 22.788 26.616 4.975 410 HB3 ALA 89 3HB ALA 89 22.551 28.097 5.903 411 H VAL 90 HN VAL 90 20.295 26.291 4.333 412 HA VAL 90 HA VAL 90 21.060 24.512 2.219 413 HB VAL 90 HB VAL 90 18.566 24.699 3.924 414 HG11 VAL 90 1HG1 VAL 90 18.375 22.223 3.040 415 HG12 VAL 90 2HG1 VAL 90 19.289 22.854 1.669 416 HG13 VAL 90 3HG1 VAL 90 17.721 23.550 2.079 417 HG21 VAL 90 3HG2 VAL 90 20.042 23.807 5.398 418 HG22 VAL 90 1HG2 VAL 90 21.217 23.446 4.131 419 HG23 VAL 90 2HG2 VAL 90 19.885 22.332 4.445 420 H ALA 91 HN ALA 91 18.144 26.573 2.549 421 HA ALA 91 HA ALA 91 17.153 26.069 -0.074 422 HB1 ALA 91 1HB ALA 91 15.723 27.981 0.270 423 HB2 ALA 91 2HB ALA 91 16.805 28.632 1.502 424 HB3 ALA 91 3HB ALA 91 15.888 27.161 1.822 425 H GLU 92 HN GLU 92 19.369 28.571 1.144 426 HA GLU 92 HA GLU 92 19.570 29.874 -1.456 427 HB2 GLU 92 2HB GLU 92 19.939 31.068 0.709 428 HB3 GLU 92 1HB GLU 92 21.403 30.117 0.947 429 HG2 GLU 92 2HG GLU 92 22.023 32.250 -0.035 430 HG3 GLU 92 1HG GLU 92 22.248 30.990 -1.248 431 H LEU 93 HN LEU 93 21.692 27.726 0.454 432 HA LEU 93 HA LEU 93 23.775 27.624 -1.529 433 HG LEU 93 HG LEU 93 23.629 28.072 1.275 434 HB2 LEU 93 2HB LEU 93 23.059 25.643 0.654 435 HB3 LEU 93 1HB LEU 93 24.566 25.643 -0.263 436 HD11 LEU 93 1HD1 LEU 93 24.759 27.356 3.198 437 HD12 LEU 93 2HD1 LEU 93 25.696 26.151 2.316 438 HD13 LEU 93 3HD1 LEU 93 23.987 25.868 2.647 439 HD21 LEU 93 3HD2 LEU 93 26.416 27.904 1.191 440 HD22 LEU 93 1HD2 LEU 93 25.404 28.938 0.181 441 HD23 LEU 93 2HD2 LEU 93 25.902 27.349 -0.403 442 H ASN 94 HN ASN 94 20.906 25.642 -0.912 443 HA ASN 94 HA ASN 94 21.489 23.555 -2.762 444 HB2 ASN 94 2HB ASN 94 19.633 23.615 -1.025 445 HB3 ASN 94 1HB ASN 94 18.732 24.630 -2.148 446 HD21 ASN 94 1HD2 ASN 94 17.434 22.325 -1.696 447 HD22 ASN 94 2HD2 ASN 94 17.657 21.194 -2.942 448 H GLY 95 HN GLY 95 21.180 23.397 -4.973 449 HA2 GLY 95 2HA GLY 95 20.630 24.069 -7.164 450 HA3 GLY 95 1HA GLY 95 19.607 25.325 -6.469 451 H THR 96 HN THR 96 22.999 24.978 -5.622 452 HA THR 96 HA THR 96 23.552 27.497 -7.142 453 HB THR 96 HB THR 96 24.976 28.236 -5.359 454 HG1 THR 96 1HG THR 96 25.480 26.902 -3.643 455 HG21 THR 96 3HG2 THR 96 22.358 27.070 -4.414 456 HG22 THR 96 1HG2 THR 96 22.730 28.748 -4.810 457 HG23 THR 96 2HG2 THR 96 23.387 28.022 -3.343 458 H GLN 97 HN GLN 97 25.573 27.608 -8.202 459 HA GLN 97 HA GLN 97 27.065 25.016 -8.305 460 HB2 GLN 97 2HB GLN 97 25.877 25.622 -10.417 461 HB3 GLN 97 1HB GLN 97 26.819 27.112 -10.484 462 HG2 GLN 97 2HG GLN 97 28.905 25.783 -10.536 463 HG3 GLN 97 1HG GLN 97 27.955 24.299 -10.491 464 HE21 GLN 97 1HE2 GLN 97 29.557 24.530 -12.700 465 HE22 GLN 97 2HE2 GLN 97 28.655 24.950 -14.075 466 H VAL 98 HN VAL 98 29.266 25.105 -7.958 467 HA VAL 98 HA VAL 98 30.363 27.643 -6.972 468 HB VAL 98 HB VAL 98 32.079 25.226 -7.367 469 HG11 VAL 98 1HG1 VAL 98 32.423 27.618 -6.117 470 HG12 VAL 98 2HG1 VAL 98 33.276 26.147 -5.651 471 HG13 VAL 98 3HG1 VAL 98 31.828 26.642 -4.775 472 HG21 VAL 98 3HG2 VAL 98 30.158 24.087 -6.577 473 HG22 VAL 98 1HG2 VAL 98 29.708 25.415 -5.508 474 HG23 VAL 98 2HG2 VAL 98 31.100 24.405 -5.119 475 H GLU 99 HN GLU 99 33.109 26.918 -7.920 476 HA GLU 99 HA GLU 99 33.211 28.552 -10.243 477 HB2 GLU 99 2HB GLU 99 35.172 26.463 -9.249 478 HB3 GLU 99 1HB GLU 99 35.524 27.640 -10.515 479 HG2 GLU 99 2HG GLU 99 34.992 29.470 -8.897 480 HG3 GLU 99 1HG GLU 99 34.779 28.253 -7.639 481 H SER 100 HN SER 100 32.940 25.041 -9.873 482 HA SER 100 HA SER 100 31.905 24.821 -12.595 483 HG SER 100 HG SER 100 32.957 24.047 -14.314 484 HB2 SER 100 2HB SER 100 34.708 24.417 -12.122 485 HB3 SER 100 1HB SER 100 33.973 22.869 -12.539 486 H VAL 101 HN VAL 101 31.303 24.150 -9.681 487 HA VAL 101 HA VAL 101 30.519 21.317 -10.202 488 HB VAL 101 HB VAL 101 31.636 22.412 -7.602 489 HG11 VAL 101 1HG1 VAL 101 30.468 19.724 -8.364 490 HG12 VAL 101 2HG1 VAL 101 29.915 20.813 -7.091 491 HG13 VAL 101 3HG1 VAL 101 31.456 19.973 -6.923 492 HG21 VAL 101 3HG2 VAL 101 33.428 21.997 -9.151 493 HG22 VAL 101 1HG2 VAL 101 32.701 20.478 -9.674 494 HG23 VAL 101 2HG2 VAL 101 33.377 20.618 -8.051 495 H GLN 102 HN GLN 102 28.596 20.668 -8.962 496 HA GLN 102 HA GLN 102 26.843 23.014 -8.411 497 HB2 GLN 102 2HB GLN 102 26.226 20.113 -9.031 498 HB3 GLN 102 1HB GLN 102 24.997 21.291 -8.569 499 HG2 GLN 102 2HG GLN 102 25.720 22.727 -10.487 500 HG3 GLN 102 1HG GLN 102 26.834 21.451 -10.978 501 HE21 GLN 102 1HE2 GLN 102 24.776 22.213 -12.753 502 HE22 GLN 102 2HE2 GLN 102 23.625 20.970 -12.848 503 H LEU 103 HN LEU 103 25.349 22.814 -6.530 504 HA LEU 103 HA LEU 103 26.651 21.290 -4.309 505 HG LEU 103 HG LEU 103 27.543 24.035 -4.902 506 HB2 LEU 103 2HB LEU 103 25.162 23.925 -4.304 507 HB3 LEU 103 1HB LEU 103 25.560 23.043 -2.830 508 HD11 LEU 103 1HD1 LEU 103 28.251 25.187 -2.557 509 HD12 LEU 103 2HD1 LEU 103 26.508 25.079 -2.319 510 HD13 LEU 103 3HD1 LEU 103 27.155 25.952 -3.708 511 HD21 LEU 103 3HD2 LEU 103 28.359 21.970 -3.965 512 HD22 LEU 103 1HD2 LEU 103 27.880 22.455 -2.339 513 HD23 LEU 103 2HD2 LEU 103 29.210 23.281 -3.148 514 H LYS 104 HN LYS 104 25.396 19.863 -3.194 515 HA LYS 104 HA LYS 104 22.451 19.910 -3.700 516 HB2 LYS 104 2HB LYS 104 24.283 17.497 -3.539 517 HB3 LYS 104 1HB LYS 104 22.523 17.413 -3.601 518 HG2 LYS 104 2HG LYS 104 22.624 18.716 -5.763 519 HG3 LYS 104 1HG LYS 104 24.378 18.535 -5.719 520 HD2 LYS 104 2HD LYS 104 24.075 16.055 -5.623 521 HD3 LYS 104 1HD LYS 104 22.336 16.293 -5.802 522 HE2 LYS 104 2HE LYS 104 24.310 17.441 -7.781 523 HE3 LYS 104 1HE LYS 104 23.670 15.807 -7.951 524 HZ1 LYS 104 3HZ LYS 104 22.053 18.292 -7.774 525 HZ2 LYS 104 1HZ LYS 104 21.432 16.721 -7.926 526 HZ3 LYS 104 2HZ LYS 104 22.346 17.397 -9.188 527 H VAL 105 HN VAL 105 21.989 20.887 -1.704 528 HA VAL 105 HA VAL 105 23.062 19.621 0.746 529 HB VAL 105 HB VAL 105 23.105 22.083 0.569 530 HG11 VAL 105 1HG1 VAL 105 20.948 23.290 0.600 531 HG12 VAL 105 2HG1 VAL 105 20.112 21.747 0.402 532 HG13 VAL 105 3HG1 VAL 105 21.174 22.345 -0.872 533 HG21 VAL 105 3HG2 VAL 105 21.689 20.575 2.664 534 HG22 VAL 105 1HG2 VAL 105 21.302 22.296 2.644 535 HG23 VAL 105 2HG2 VAL 105 22.977 21.769 2.819 536 H ASN 106 HN ASN 106 21.768 18.515 2.198 537 HA ASN 106 HA ASN 106 18.843 18.401 1.687 538 HB2 ASN 106 2HB ASN 106 20.704 16.010 1.848 539 HB3 ASN 106 1HB ASN 106 18.948 15.897 1.966 540 HD21 ASN 106 1HD2 ASN 106 20.507 14.697 -0.187 541 HD22 ASN 106 2HD2 ASN 106 20.050 15.465 -1.631 542 H ILE 107 HN ILE 107 18.226 16.464 3.600 543 HA ILE 107 HA ILE 107 19.014 17.899 6.080 544 HB ILE 107 HB ILE 107 16.889 15.765 5.736 545 HG12 ILE 107 1HG1 ILE 107 16.315 17.604 4.274 546 HG13 ILE 107 2HG1 ILE 107 15.315 17.737 5.721 547 HG21 ILE 107 1HG2 ILE 107 17.819 17.557 7.930 548 HG22 ILE 107 2HG2 ILE 107 17.144 15.930 8.018 549 HG23 ILE 107 3HG2 ILE 107 16.078 17.314 7.781 550 HD11 ILE 107 3HD1 ILE 107 16.090 19.921 5.535 551 HD12 ILE 107 1HD1 ILE 107 17.641 19.422 4.858 552 HD13 ILE 107 2HD1 ILE 107 17.328 19.226 6.583 553 H ALA 108 HN ALA 108 20.335 16.945 7.576 554 HA ALA 108 HA ALA 108 21.093 14.095 7.086 555 HB1 ALA 108 1HB ALA 108 22.778 16.185 7.068 556 HB2 ALA 108 2HB ALA 108 23.265 14.600 7.668 557 HB3 ALA 108 3HB ALA 108 22.778 15.860 8.801 558 H ARG 109 HN ARG 109 21.843 12.990 9.207 559 HA ARG 109 HA ARG 109 19.742 12.634 10.976 560 HE ARG 109 HE ARG 109 21.734 8.509 12.317 561 HB2 ARG 109 2HB ARG 109 21.961 11.346 10.856 562 HB3 ARG 109 1HB ARG 109 22.613 12.590 11.923 563 HG2 ARG 109 2HG ARG 109 20.854 12.098 13.580 564 HG3 ARG 109 1HG ARG 109 20.187 10.863 12.511 565 HD2 ARG 109 2HD ARG 109 23.012 10.844 13.618 566 HD3 ARG 109 1HD ARG 109 21.673 9.905 14.276 567 HH11 ARG 109 1HH1 ARG 109 24.705 9.544 12.999 568 HH12 ARG 109 2HH1 ARG 109 25.321 9.601 11.382 569 HH21 ARG 109 1HH2 ARG 109 22.206 9.259 9.898 570 HH22 ARG 109 2HH2 ARG 109 23.906 9.440 9.627 571 H LYS 110 HN LYS 110 19.144 13.543 13.000 572 HA LYS 110 HA LYS 110 19.902 16.374 13.305 573 HB2 LYS 110 2HB LYS 110 17.897 14.637 14.775 574 HB3 LYS 110 1HB LYS 110 18.132 16.359 15.077 575 HG2 LYS 110 2HG LYS 110 17.644 16.781 12.646 576 HG3 LYS 110 1HG LYS 110 17.241 15.072 12.480 577 HD2 LYS 110 2HD LYS 110 15.566 15.404 14.365 578 HD3 LYS 110 1HD LYS 110 15.852 17.137 14.204 579 HE2 LYS 110 2HE LYS 110 14.487 17.241 12.416 580 HE3 LYS 110 1HE LYS 110 15.402 15.973 11.599 581 HZ1 LYS 110 3HZ LYS 110 13.811 14.937 13.727 582 HZ2 LYS 110 1HZ LYS 110 13.860 14.477 12.096 583 HZ3 LYS 110 2HZ LYS 110 12.861 15.761 12.585 584 H GLN 111 HN GLN 111 21.796 16.703 14.376 585 HA GLN 111 HA GLN 111 23.227 15.026 16.029 586 HB2 GLN 111 2HB GLN 111 24.270 16.985 17.000 587 HB3 GLN 111 1HB GLN 111 23.924 17.332 15.307 588 HG2 GLN 111 2HG GLN 111 22.106 18.121 17.604 589 HG3 GLN 111 1HG GLN 111 23.291 19.197 16.867 590 HE21 GLN 111 1HE2 GLN 111 20.186 17.586 16.350 591 HE22 GLN 111 2HE2 GLN 111 19.799 18.402 14.914 592 HA PRO 112 HA PRO 112 20.556 14.421 19.554 593 HB2 PRO 112 2HB PRO 112 22.280 12.982 21.044 594 HB3 PRO 112 1HB PRO 112 21.444 12.315 19.641 595 HG2 PRO 112 2HG PRO 112 24.260 13.233 19.914 596 HG3 PRO 112 1HG PRO 112 23.604 11.909 18.951 597 HD2 PRO 112 1HD PRO 112 24.322 14.391 17.952 598 HD3 PRO 112 2HD PRO 112 23.229 13.261 17.156 599 H MET 113 HN MET 113 23.750 15.860 19.746 600 HA MET 113 HA MET 113 24.058 16.512 22.410 601 HB2 MET 113 2HB MET 113 24.827 18.853 21.427 602 HB3 MET 113 1HB MET 113 25.751 17.390 21.091 603 HG2 MET 113 2HG MET 113 25.276 17.496 18.884 604 HG3 MET 113 1HG MET 113 23.559 17.749 19.197 605 HE1 MET 113 3HE MET 113 22.397 19.317 19.119 606 HE2 MET 113 1HE MET 113 22.733 20.617 17.967 607 HE3 MET 113 2HE MET 113 22.730 20.948 19.698 608 H LEU 114 HN LEU 114 21.582 17.698 20.238 609 HA LEU 114 HA LEU 114 20.084 18.786 22.485 610 HG LEU 114 HG LEU 114 19.040 20.751 22.542 611 HB2 LEU 114 2HB LEU 114 21.751 20.615 21.945 612 HB3 LEU 114 1HB LEU 114 20.991 20.744 20.360 613 HD11 LEU 114 1HD1 LEU 114 20.123 23.387 22.594 614 HD12 LEU 114 2HD1 LEU 114 21.442 22.267 22.932 615 HD13 LEU 114 3HD1 LEU 114 19.989 22.245 23.932 616 HD21 LEU 114 3HD2 LEU 114 18.021 21.651 20.732 617 HD22 LEU 114 1HD2 LEU 114 19.561 21.993 19.945 618 HD23 LEU 114 2HD2 LEU 114 18.895 23.134 21.115 619 H ASP 115 HN ASP 115 19.838 16.913 20.136 620 HA ASP 115 HA ASP 115 18.294 16.426 18.418 621 HB2 ASP 115 2HB ASP 115 16.543 17.988 20.344 622 HB3 ASP 115 1HB ASP 115 15.952 16.927 19.066 623 H ALA 116 HN ALA 116 19.872 18.676 17.821 624 HA ALA 116 HA ALA 116 19.895 20.345 16.165 625 HB1 ALA 116 1HB ALA 116 17.411 18.972 15.722 626 HB2 ALA 116 2HB ALA 116 18.376 19.893 14.571 627 HB3 ALA 116 3HB ALA 116 17.149 20.706 15.541 628 H ALA 117 HN ALA 117 16.599 21.004 17.282 629 HA ALA 117 HA ALA 117 17.363 22.929 19.282 630 HB1 ALA 117 1HB ALA 117 16.135 24.606 17.316 631 HB2 ALA 117 2HB ALA 117 17.534 23.823 16.579 632 HB3 ALA 117 3HB ALA 117 17.730 24.776 18.050 633 H THR 118 HN THR 118 15.364 20.771 18.666 634 HA THR 118 HA THR 118 12.898 22.397 19.138 635 HB THR 118 HB THR 118 12.815 21.172 16.993 636 HG1 THR 118 1HG THR 118 10.946 21.381 18.407 637 HG21 THR 118 3HG2 THR 118 13.841 19.175 16.870 638 HG22 THR 118 1HG2 THR 118 12.536 18.501 17.845 639 HG23 THR 118 2HG2 THR 118 13.998 19.103 18.625 640 H GLY 119 HN GLY 119 15.110 20.614 20.725 641 HA2 GLY 119 2HA GLY 119 13.799 18.601 22.151 642 HA3 GLY 119 1HA GLY 119 15.056 19.618 22.856 643 H LYS 120 HN LYS 120 13.606 22.109 22.623 644 HA LYS 120 HA LYS 120 12.224 22.167 25.082 645 HB2 LYS 120 2HB LYS 120 11.893 23.976 22.669 646 HB3 LYS 120 1HB LYS 120 11.285 24.336 24.285 647 HG2 LYS 120 2HG LYS 120 13.631 24.123 25.150 648 HG3 LYS 120 1HG LYS 120 14.183 23.937 23.485 649 HD2 LYS 120 2HD LYS 120 13.142 26.146 22.942 650 HD3 LYS 120 1HD LYS 120 12.734 26.335 24.647 651 HE2 LYS 120 2HE LYS 120 15.559 25.859 23.665 652 HE3 LYS 120 1HE LYS 120 14.890 27.468 23.935 653 HZ1 LYS 120 3HZ LYS 120 15.661 27.150 26.001 654 HZ2 LYS 120 1HZ LYS 120 15.709 25.462 25.852 655 HZ3 LYS 120 2HZ LYS 120 14.243 26.240 26.216 656 H SER 121 HN SER 121 11.050 21.449 21.834 657 HA SER 121 HA SER 121 8.241 21.488 22.622 658 HG SER 121 HG SER 121 8.818 22.843 20.555 659 HB2 SER 121 2HB SER 121 9.380 20.086 20.201 660 HB3 SER 121 1HB SER 121 7.778 20.795 20.398 Start of MODEL 20 1 H ALA 35 HN ALA 35 30.416 24.730 25.324 2 HA ALA 35 HA ALA 35 28.193 23.639 26.870 3 HB1 ALA 35 1HB ALA 35 27.926 25.328 28.334 4 HB2 ALA 35 2HB ALA 35 27.756 26.455 26.989 5 HB3 ALA 35 3HB ALA 35 29.349 26.135 27.676 6 HA PRO 36 HA PRO 36 27.520 25.040 22.388 7 HB2 PRO 36 2HB PRO 36 27.009 22.586 21.381 8 HB3 PRO 36 1HB PRO 36 28.634 23.272 21.462 9 HG2 PRO 36 2HG PRO 36 27.310 21.305 23.292 10 HG3 PRO 36 1HG PRO 36 28.957 21.294 22.653 11 HD2 PRO 36 2HD PRO 36 28.393 22.132 25.162 12 HD3 PRO 36 1HD PRO 36 29.712 22.821 24.215 13 H ARG 37 HN ARG 37 25.453 25.441 21.633 14 HA ARG 37 HA ARG 37 23.219 23.986 22.991 15 HE ARG 37 HE ARG 37 23.579 27.359 26.780 16 HB2 ARG 37 2HB ARG 37 23.344 26.901 22.154 17 HB3 ARG 37 1HB ARG 37 21.914 26.099 22.805 18 HG2 ARG 37 2HG ARG 37 23.203 25.547 24.866 19 HG3 ARG 37 1HG ARG 37 24.575 26.446 24.220 20 HD2 ARG 37 2HD ARG 37 23.067 28.463 24.048 21 HD3 ARG 37 1HD ARG 37 21.835 27.542 24.909 22 HH11 ARG 37 1HH1 ARG 37 25.677 28.837 25.124 23 HH12 ARG 37 2HH1 ARG 37 25.587 30.422 25.815 24 HH21 ARG 37 1HH2 ARG 37 22.549 29.857 27.384 25 HH22 ARG 37 2HH2 ARG 37 23.816 30.999 27.094 26 H LYS 38 HN LYS 38 21.325 23.637 21.665 27 HA LYS 38 HA LYS 38 20.409 22.855 19.638 28 HB2 LYS 38 2HB LYS 38 21.452 25.567 18.768 29 HB3 LYS 38 1HB LYS 38 20.225 24.624 17.923 30 HG2 LYS 38 2HG LYS 38 18.777 24.720 19.922 31 HG3 LYS 38 1HG LYS 38 20.003 25.669 20.764 32 HD2 LYS 38 2HD LYS 38 19.819 27.424 19.021 33 HD3 LYS 38 1HD LYS 38 18.563 26.481 18.219 34 HE2 LYS 38 2HE LYS 38 17.175 26.610 20.268 35 HE3 LYS 38 1HE LYS 38 18.425 27.584 21.042 36 HZ1 LYS 38 3HZ LYS 38 16.778 29.036 20.149 37 HZ2 LYS 38 1HZ LYS 38 16.850 28.289 18.628 38 HZ3 LYS 38 2HZ LYS 38 18.175 29.190 19.194 39 H GLY 39 HN GLY 39 21.129 23.156 16.997 40 HA2 GLY 39 2HA GLY 39 23.565 23.105 15.937 41 HA3 GLY 39 1HA GLY 39 23.695 21.668 16.950 42 H ASN 40 HN ASN 40 21.712 23.103 14.355 43 HA ASN 40 HA ASN 40 20.514 20.514 13.691 44 HB2 ASN 40 2HB ASN 40 19.449 22.837 13.349 45 HB3 ASN 40 1HB ASN 40 20.507 22.979 11.945 46 HD21 ASN 40 1HD2 ASN 40 18.250 22.999 10.818 47 HD22 ASN 40 2HD2 ASN 40 17.596 21.491 10.393 48 H THR 41 HN THR 41 21.676 18.997 12.604 49 HA THR 41 HA THR 41 24.132 19.677 11.205 50 HB THR 41 HB THR 41 22.582 17.071 11.187 51 HG1 THR 41 1HG THR 41 24.676 18.000 12.860 52 HG21 THR 41 3HG2 THR 41 24.531 17.663 9.495 53 HG22 THR 41 1HG2 THR 41 24.466 16.080 10.269 54 HG23 THR 41 2HG2 THR 41 25.551 17.322 10.892 55 H LEU 42 HN LEU 42 24.508 19.493 8.933 56 HA LEU 42 HA LEU 42 22.034 19.476 7.250 57 HG LEU 42 HG LEU 42 21.739 21.586 8.056 58 HB2 LEU 42 2HB LEU 42 24.478 21.252 6.973 59 HB3 LEU 42 1HB LEU 42 23.174 21.154 5.789 60 HD11 LEU 42 1HD1 LEU 42 24.510 22.631 8.478 61 HD12 LEU 42 2HD1 LEU 42 23.365 21.985 9.653 62 HD13 LEU 42 3HD1 LEU 42 23.157 23.619 9.028 63 HD21 LEU 42 3HD2 LEU 42 22.121 22.875 5.718 64 HD22 LEU 42 1HD2 LEU 42 22.904 24.023 6.804 65 HD23 LEU 42 2HD2 LEU 42 21.213 23.586 7.052 66 H TYR 43 HN TYR 43 22.263 18.455 5.210 67 HA TYR 43 HA TYR 43 24.696 16.747 4.988 68 HD1 TYR 43 HD1 TYR 43 24.535 13.969 4.526 69 HD2 TYR 43 HD2 TYR 43 22.539 16.170 1.425 70 HE1 TYR 43 HE1 TYR 43 25.554 12.486 2.819 71 HE2 TYR 43 HE2 TYR 43 23.559 14.689 -0.283 72 HH TYR 43 HH TYR 43 24.662 12.729 -0.592 73 HB2 TYR 43 2HB TYR 43 22.616 15.493 5.008 74 HB3 TYR 43 1HB TYR 43 21.948 16.507 3.729 75 H VAL 44 HN VAL 44 26.213 17.541 3.621 76 HA VAL 44 HA VAL 44 25.277 19.091 1.240 77 HB VAL 44 HB VAL 44 27.990 19.185 2.594 78 HG11 VAL 44 1HG1 VAL 44 27.750 19.743 0.095 79 HG12 VAL 44 2HG1 VAL 44 28.484 20.980 1.116 80 HG13 VAL 44 3HG1 VAL 44 26.800 21.134 0.615 81 HG21 VAL 44 3HG2 VAL 44 25.914 20.095 3.864 82 HG22 VAL 44 1HG2 VAL 44 25.899 21.359 2.634 83 HG23 VAL 44 2HG2 VAL 44 27.305 21.164 3.681 84 H TYR 45 HN TYR 45 26.097 18.496 -0.794 85 HA TYR 45 HA TYR 45 27.952 16.162 -0.863 86 HD1 TYR 45 HD1 TYR 45 27.182 13.416 -1.259 87 HD2 TYR 45 HD2 TYR 45 26.457 15.971 -4.635 88 HE1 TYR 45 HE1 TYR 45 28.214 11.731 -2.757 89 HE2 TYR 45 HE2 TYR 45 27.490 14.286 -6.132 90 HH TYR 45 HH TYR 45 27.839 11.282 -5.553 91 HB2 TYR 45 2HB TYR 45 25.628 15.329 -1.120 92 HB3 TYR 45 1HB TYR 45 25.407 16.413 -2.494 93 H GLY 46 HN GLY 46 29.374 16.188 -2.624 94 HA2 GLY 46 1HA GLY 46 29.146 17.528 -5.052 95 HA3 GLY 46 2HA GLY 46 29.760 18.745 -3.935 96 H GLU 47 HN GLU 47 31.574 18.426 -5.701 97 HA GLU 47 HA GLU 47 33.387 16.206 -4.854 98 HB2 GLU 47 2HB GLU 47 33.495 17.924 -7.353 99 HB3 GLU 47 1HB GLU 47 34.538 16.549 -6.991 100 HG2 GLU 47 2HG GLU 47 32.551 15.071 -6.932 101 HG3 GLU 47 1HG GLU 47 31.525 16.449 -7.331 102 H ASP 48 HN ASP 48 35.689 16.764 -4.609 103 HA ASP 48 HA ASP 48 37.283 18.060 -3.448 104 HB2 ASP 48 2HB ASP 48 36.281 20.139 -5.418 105 HB3 ASP 48 1HB ASP 48 37.852 20.130 -4.617 106 H MET 49 HN MET 49 34.910 17.977 -2.002 107 HA MET 49 HA MET 49 34.143 20.729 -1.302 108 HB2 MET 49 2HB MET 49 33.379 18.240 0.221 109 HB3 MET 49 1HB MET 49 32.489 19.756 0.082 110 HG2 MET 49 2HG MET 49 31.849 19.304 -2.154 111 HG3 MET 49 1HG MET 49 33.069 18.043 -2.336 112 HE1 MET 49 3HE MET 49 30.343 19.394 -0.391 113 HE2 MET 49 1HE MET 49 30.340 18.218 0.930 114 HE3 MET 49 2HE MET 49 29.091 18.158 -0.311 115 H THR 50 HN THR 50 35.008 21.874 0.378 116 HA THR 50 HA THR 50 36.830 20.402 2.241 117 HB THR 50 HB THR 50 37.817 22.901 2.367 118 HG1 THR 50 1HG THR 50 37.282 22.717 -0.364 119 HG21 THR 50 3HG2 THR 50 38.500 20.439 1.070 120 HG22 THR 50 1HG2 THR 50 39.580 21.690 1.686 121 HG23 THR 50 2HG2 THR 50 38.983 21.779 0.029 122 HA PRO 51 HA PRO 51 34.472 22.031 5.615 123 HB2 PRO 51 2HB PRO 51 36.379 22.546 7.457 124 HB3 PRO 51 1HB PRO 51 35.880 20.909 7.027 125 HG2 PRO 51 2HG PRO 51 38.266 22.466 6.108 126 HG3 PRO 51 1HG PRO 51 38.164 20.770 6.591 127 HD2 PRO 51 1HD PRO 51 38.217 21.530 3.992 128 HD3 PRO 51 2HD PRO 51 37.340 20.100 4.539 129 H THR 52 HN THR 52 37.409 23.947 4.918 130 HA THR 52 HA THR 52 36.455 26.359 6.145 131 HB THR 52 HB THR 52 38.410 26.079 3.841 132 HG1 THR 52 1HG THR 52 39.880 25.606 5.306 133 HG21 THR 52 3HG2 THR 52 39.327 28.197 4.910 134 HG22 THR 52 1HG2 THR 52 37.841 28.259 5.857 135 HG23 THR 52 2HG2 THR 52 37.770 28.370 4.098 136 H LEU 53 HN LEU 53 36.414 25.239 2.751 137 HA LEU 53 HA LEU 53 35.137 27.506 1.630 138 HG LEU 53 HG LEU 53 33.305 26.564 -0.166 139 HB2 LEU 53 2HB LEU 53 36.116 25.594 0.331 140 HB3 LEU 53 1HB LEU 53 34.728 24.616 0.806 141 HD11 LEU 53 1HD1 LEU 53 34.405 27.880 -1.894 142 HD12 LEU 53 2HD1 LEU 53 35.928 27.034 -1.617 143 HD13 LEU 53 3HD1 LEU 53 35.273 28.102 -0.376 144 HD21 LEU 53 3HD2 LEU 53 34.975 24.841 -2.024 145 HD22 LEU 53 1HD2 LEU 53 33.408 25.558 -2.401 146 HD23 LEU 53 2HD2 LEU 53 33.529 24.299 -1.171 147 H LEU 54 HN LEU 54 33.656 24.479 2.846 148 HA LEU 54 HA LEU 54 30.954 25.266 2.487 149 HG LEU 54 HG LEU 54 32.275 23.084 1.958 150 HB2 LEU 54 2HB LEU 54 32.162 23.483 4.625 151 HB3 LEU 54 1HB LEU 54 30.442 23.582 4.247 152 HD11 LEU 54 1HD1 LEU 54 31.511 20.620 3.371 153 HD12 LEU 54 2HD1 LEU 54 32.697 21.594 4.241 154 HD13 LEU 54 3HD1 LEU 54 33.039 21.046 2.600 155 HD21 LEU 54 3HD2 LEU 54 30.402 22.076 1.054 156 HD22 LEU 54 1HD2 LEU 54 29.615 23.178 2.185 157 HD23 LEU 54 2HD2 LEU 54 29.840 21.482 2.617 158 H ARG 55 HN ARG 55 33.109 25.677 5.304 159 HA ARG 55 HA ARG 55 31.337 26.856 7.113 160 HE ARG 55 HE ARG 55 34.565 28.843 11.341 161 HB2 ARG 55 2HB ARG 55 33.770 26.374 7.532 162 HB3 ARG 55 1HB ARG 55 34.168 27.812 6.591 163 HG2 ARG 55 2HG ARG 55 32.868 29.204 8.153 164 HG3 ARG 55 1HG ARG 55 32.440 27.770 9.085 165 HD2 ARG 55 2HD ARG 55 34.839 27.359 9.538 166 HD3 ARG 55 1HD ARG 55 35.254 28.809 8.626 167 HH11 ARG 55 1HH1 ARG 55 35.390 31.298 9.866 168 HH12 ARG 55 2HH1 ARG 55 33.967 32.282 9.957 169 HH21 ARG 55 1HH2 ARG 55 31.884 29.652 10.831 170 HH22 ARG 55 2HH2 ARG 55 31.982 31.350 10.504 171 H GLY 56 HN GLY 56 32.889 28.311 4.285 172 HA2 GLY 56 2HA GLY 56 31.954 30.997 4.855 173 HA3 GLY 56 1HA GLY 56 32.602 30.437 3.313 174 H ALA 57 HN ALA 57 30.724 28.254 2.987 175 HA ALA 57 HA ALA 57 28.532 29.723 1.792 176 HB1 ALA 57 1HB ALA 57 28.414 27.814 0.605 177 HB2 ALA 57 2HB ALA 57 27.861 26.962 2.047 178 HB3 ALA 57 3HB ALA 57 29.585 27.059 1.685 179 H PHE 58 HN PHE 58 29.048 28.107 4.847 180 HA PHE 58 HA PHE 58 26.185 28.612 5.553 181 HD1 PHE 58 HD1 PHE 58 28.470 25.910 4.315 182 HD2 PHE 58 HD2 PHE 58 24.694 25.814 6.358 183 HE1 PHE 58 HE1 PHE 58 27.601 24.310 2.632 184 HE2 PHE 58 HE2 PHE 58 23.824 24.214 4.676 185 HZ PHE 58 HZ PHE 58 25.278 23.461 2.812 186 HB2 PHE 58 2HB PHE 58 28.175 26.658 6.748 187 HB3 PHE 58 1HB PHE 58 26.539 26.916 7.349 188 H SER 59 HN SER 59 29.002 30.135 5.764 189 HA SER 59 HA SER 59 29.222 30.656 8.613 190 HG SER 59 HG SER 59 31.026 33.120 8.412 191 HB2 SER 59 2HB SER 59 31.236 31.161 7.644 192 HB3 SER 59 1HB SER 59 30.496 31.656 6.121 193 HA PRO 60 HA PRO 60 27.095 34.870 7.457 194 HB2 PRO 60 2HB PRO 60 26.007 35.075 4.991 195 HB3 PRO 60 1HB PRO 60 27.674 35.534 5.349 196 HG2 PRO 60 2HG PRO 60 26.621 33.007 4.131 197 HG3 PRO 60 1HG PRO 60 28.018 33.974 3.648 198 HD2 PRO 60 2HD PRO 60 28.282 31.716 5.102 199 HD3 PRO 60 1HD PRO 60 29.366 33.092 5.311 200 H PHE 61 HN PHE 61 25.749 31.873 6.165 201 HA PHE 61 HA PHE 61 22.984 32.645 6.361 202 HD1 PHE 61 HD1 PHE 61 25.417 30.822 4.156 203 HD2 PHE 61 HD2 PHE 61 21.165 30.809 4.772 204 HE1 PHE 61 HE1 PHE 61 25.064 31.161 1.725 205 HE2 PHE 61 HE2 PHE 61 20.813 31.148 2.341 206 HZ PHE 61 HZ PHE 61 22.762 31.324 0.818 207 HB2 PHE 61 2HB PHE 61 24.423 30.000 6.256 208 HB3 PHE 61 1HB PHE 61 22.680 30.067 6.520 209 H GLY 62 HN GLY 62 25.294 31.286 8.659 210 HA2 GLY 62 1HA GLY 62 23.883 32.222 10.940 211 HA3 GLY 62 2HA GLY 62 23.442 30.533 10.691 212 H ASN 63 HN ASN 63 24.638 30.628 12.944 213 HA ASN 63 HA ASN 63 27.584 30.512 12.620 214 HB2 ASN 63 2HB ASN 63 25.820 30.318 15.081 215 HB3 ASN 63 1HB ASN 63 27.582 30.281 15.104 216 HD21 ASN 63 1HD2 ASN 63 26.214 32.360 16.462 217 HD22 ASN 63 2HD2 ASN 63 26.470 33.824 15.642 218 H ILE 64 HN ILE 64 28.737 28.596 12.782 219 HA ILE 64 HA ILE 64 27.099 26.108 12.841 220 HB ILE 64 HB ILE 64 29.974 26.491 11.954 221 HG12 ILE 64 2HG1 ILE 64 27.498 26.168 10.238 222 HG13 ILE 64 1HG1 ILE 64 28.235 27.731 10.593 223 HG21 ILE 64 1HG2 ILE 64 29.888 24.272 11.181 224 HG22 ILE 64 2HG2 ILE 64 28.126 24.229 11.219 225 HG23 ILE 64 3HG2 ILE 64 29.041 24.181 12.726 226 HD11 ILE 64 3HD1 ILE 64 29.451 27.308 8.710 227 HD12 ILE 64 1HD1 ILE 64 29.163 25.570 8.798 228 HD13 ILE 64 2HD1 ILE 64 30.420 26.306 9.792 229 H ILE 65 HN ILE 65 27.274 24.734 14.559 230 HA ILE 65 HA ILE 65 29.240 25.428 16.672 231 HB ILE 65 HB ILE 65 27.876 24.135 18.160 232 HG12 ILE 65 2HG1 ILE 65 26.380 23.163 15.707 233 HG13 ILE 65 1HG1 ILE 65 27.560 22.211 16.608 234 HG21 ILE 65 1HG2 ILE 65 26.151 25.634 16.166 235 HG22 ILE 65 2HG2 ILE 65 26.908 26.301 17.612 236 HG23 ILE 65 3HG2 ILE 65 25.606 25.121 17.763 237 HD11 ILE 65 3HD1 ILE 65 25.474 21.547 17.513 238 HD12 ILE 65 1HD1 ILE 65 24.857 23.198 17.520 239 HD13 ILE 65 2HD1 ILE 65 26.095 22.716 18.680 240 H ASP 66 HN ASP 66 28.685 23.091 14.199 241 HA ASP 66 HA ASP 66 31.097 21.623 15.101 242 HB2 ASP 66 2HB ASP 66 29.018 20.446 15.976 243 HB3 ASP 66 1HB ASP 66 28.579 20.149 14.293 244 H LEU 67 HN LEU 67 32.274 20.755 13.370 245 HA LEU 67 HA LEU 67 31.124 21.214 10.645 246 HG LEU 67 HG LEU 67 33.995 22.879 9.225 247 HB2 LEU 67 2HB LEU 67 32.919 22.882 11.392 248 HB3 LEU 67 1HB LEU 67 34.049 21.530 11.353 249 HD11 LEU 67 1HD1 LEU 67 34.197 20.984 7.837 250 HD12 LEU 67 2HD1 LEU 67 32.948 20.098 8.711 251 HD13 LEU 67 3HD1 LEU 67 34.532 20.349 9.447 252 HD21 LEU 67 3HD2 LEU 67 31.390 21.565 8.562 253 HD22 LEU 67 1HD2 LEU 67 32.088 23.056 7.928 254 HD23 LEU 67 2HD2 LEU 67 31.357 23.038 9.533 255 H SER 68 HN SER 68 30.792 19.185 9.841 256 HA SER 68 HA SER 68 32.939 17.153 10.311 257 HG SER 68 HG SER 68 30.588 16.651 12.223 258 HB2 SER 68 2HB SER 68 29.949 16.939 10.235 259 HB3 SER 68 1HB SER 68 30.913 15.560 9.708 260 H MET 69 HN MET 69 33.851 16.246 8.502 261 HA MET 69 HA MET 69 32.598 16.926 5.870 262 HB2 MET 69 2HB MET 69 35.542 16.677 6.569 263 HB3 MET 69 1HB MET 69 34.909 16.942 4.944 264 HG2 MET 69 2HG MET 69 34.385 18.783 7.296 265 HG3 MET 69 1HG MET 69 35.635 19.058 6.083 266 HE1 MET 69 3HE MET 69 33.643 19.255 2.788 267 HE2 MET 69 1HE MET 69 33.873 17.672 3.540 268 HE3 MET 69 2HE MET 69 35.164 18.868 3.587 269 H ASP 70 HN ASP 70 32.599 15.262 4.297 270 HA ASP 70 HA ASP 70 33.571 12.597 5.240 271 HB2 ASP 70 2HB ASP 70 30.861 13.428 4.689 272 HB3 ASP 70 1HB ASP 70 31.344 12.173 3.547 273 HA PRO 71 HA PRO 71 35.407 13.373 1.118 274 HB2 PRO 71 2HB PRO 71 37.687 12.010 1.595 275 HB3 PRO 71 1HB PRO 71 37.441 13.693 2.063 276 HG2 PRO 71 2HG PRO 71 37.369 11.231 3.726 277 HG3 PRO 71 1HG PRO 71 37.922 12.850 4.146 278 HD2 PRO 71 2HD PRO 71 35.476 11.791 4.884 279 HD3 PRO 71 1HD PRO 71 35.847 13.512 4.817 280 HA PRO 72 HA PRO 72 35.529 8.551 0.562 281 HB2 PRO 72 2HB PRO 72 34.050 7.091 2.276 282 HB3 PRO 72 1HB PRO 72 35.756 7.447 2.548 283 HG2 PRO 72 2HG PRO 72 33.338 8.697 3.761 284 HG3 PRO 72 1HG PRO 72 34.892 8.322 4.505 285 HD2 PRO 72 1HD PRO 72 34.152 10.825 3.683 286 HD3 PRO 72 2HD PRO 72 35.823 10.294 3.829 287 H ARG 73 HN ARG 73 32.718 10.327 1.639 288 HA ARG 73 HA ARG 73 31.075 8.850 -0.380 289 HE ARG 73 HE ARG 73 29.660 6.935 4.813 290 HB2 ARG 73 2HB ARG 73 30.199 10.358 2.102 291 HB3 ARG 73 1HB ARG 73 29.101 9.635 0.927 292 HG2 ARG 73 2HG ARG 73 30.202 7.420 1.353 293 HG3 ARG 73 1HG ARG 73 31.143 8.183 2.635 294 HD2 ARG 73 2HD ARG 73 28.953 8.897 3.685 295 HD3 ARG 73 1HD ARG 73 28.132 7.882 2.499 296 HH11 ARG 73 1HH1 ARG 73 27.233 6.137 2.736 297 HH12 ARG 73 2HH1 ARG 73 27.698 4.486 2.497 298 HH21 ARG 73 1HH2 ARG 73 30.772 4.849 4.057 299 HH22 ARG 73 2HH2 ARG 73 29.702 3.756 3.244 300 H ASN 74 HN ASN 74 32.817 11.587 -0.087 301 HA ASN 74 HA ASN 74 32.766 13.655 -1.196 302 HB2 ASN 74 2HB ASN 74 30.616 12.239 -2.801 303 HB3 ASN 74 1HB ASN 74 31.394 13.754 -3.262 304 HD21 ASN 74 1HD2 ASN 74 31.581 11.359 -4.874 305 HD22 ASN 74 2HD2 ASN 74 33.202 10.855 -4.871 306 H CYS 75 HN CYS 75 31.388 13.642 1.190 307 HA CYS 75 HA CYS 75 29.300 15.652 0.637 308 HG CYS 75 HG CYS 75 28.612 11.862 2.537 309 HB2 CYS 75 2HB CYS 75 27.592 14.539 1.956 310 HB3 CYS 75 1HB CYS 75 28.122 13.434 0.688 311 H ALA 76 HN ALA 76 28.833 16.950 2.525 312 HA ALA 76 HA ALA 76 30.739 16.523 4.792 313 HB1 ALA 76 1HB ALA 76 30.731 19.111 4.903 314 HB2 ALA 76 2HB ALA 76 30.104 19.044 3.255 315 HB3 ALA 76 3HB ALA 76 31.684 18.353 3.626 316 H PHE 77 HN PHE 77 29.976 17.515 6.835 317 HA PHE 77 HA PHE 77 27.005 17.847 6.885 318 HD1 PHE 77 HD1 PHE 77 25.300 15.770 7.760 319 HD2 PHE 77 HD2 PHE 77 29.422 14.644 7.323 320 HE1 PHE 77 HE1 PHE 77 24.614 13.755 6.488 321 HE2 PHE 77 HE2 PHE 77 28.736 12.629 6.051 322 HZ PHE 77 HZ PHE 77 26.333 12.184 5.633 323 HB2 PHE 77 2HB PHE 77 28.784 16.390 8.859 324 HB3 PHE 77 1HB PHE 77 27.090 16.775 9.162 325 H VAL 78 HN VAL 78 26.387 19.771 7.733 326 HA VAL 78 HA VAL 78 28.354 21.218 9.465 327 HB VAL 78 HB VAL 78 26.271 22.385 7.599 328 HG11 VAL 78 1HG1 VAL 78 27.242 24.532 8.176 329 HG12 VAL 78 2HG1 VAL 78 28.478 23.753 9.161 330 HG13 VAL 78 3HG1 VAL 78 26.790 23.713 9.671 331 HG21 VAL 78 3HG2 VAL 78 28.109 23.007 6.177 332 HG22 VAL 78 1HG2 VAL 78 28.285 21.286 6.520 333 HG23 VAL 78 2HG2 VAL 78 29.289 22.462 7.369 334 H THR 79 HN THR 79 27.559 22.100 11.386 335 HA THR 79 HA THR 79 24.735 21.378 12.041 336 HB THR 79 HB THR 79 26.991 21.972 13.975 337 HG1 THR 79 1HG THR 79 25.999 19.406 13.575 338 HG21 THR 79 3HG2 THR 79 25.529 21.293 15.658 339 HG22 THR 79 1HG2 THR 79 24.524 20.362 14.547 340 HG23 THR 79 2HG2 THR 79 24.431 22.123 14.555 341 H TYR 80 HN TYR 80 23.329 23.043 12.363 342 HA TYR 80 HA TYR 80 24.474 25.789 12.564 343 HD1 TYR 80 HD1 TYR 80 24.421 27.478 11.754 344 HD2 TYR 80 HD2 TYR 80 22.034 25.158 9.039 345 HE1 TYR 80 HE1 TYR 80 25.455 28.659 9.835 346 HE2 TYR 80 HE2 TYR 80 23.068 26.339 7.120 347 HH TYR 80 HH TYR 80 25.326 29.028 7.618 348 HB2 TYR 80 2HB TYR 80 22.044 24.624 11.340 349 HB3 TYR 80 1HB TYR 80 21.804 26.168 12.159 350 H GLU 81 HN GLU 81 23.717 27.212 14.207 351 HA GLU 81 HA GLU 81 22.977 25.899 16.696 352 HB2 GLU 81 2HB GLU 81 24.454 27.933 16.555 353 HB3 GLU 81 1HB GLU 81 23.037 28.869 16.082 354 HG2 GLU 81 2HG GLU 81 21.915 28.122 18.203 355 HG3 GLU 81 1HG GLU 81 23.431 27.361 18.683 356 H LYS 82 HN LYS 82 21.268 27.443 14.102 357 HA LYS 82 HA LYS 82 18.733 27.081 15.641 358 HB2 LYS 82 2HB LYS 82 19.435 29.388 13.800 359 HB3 LYS 82 1HB LYS 82 17.843 29.111 14.507 360 HG2 LYS 82 2HG LYS 82 18.874 29.233 16.776 361 HG3 LYS 82 1HG LYS 82 20.422 29.619 16.024 362 HD2 LYS 82 2HD LYS 82 19.369 31.611 14.959 363 HD3 LYS 82 1HD LYS 82 17.867 31.242 15.808 364 HE2 LYS 82 2HE LYS 82 18.719 32.610 17.420 365 HE3 LYS 82 1HE LYS 82 19.662 31.189 17.870 366 HZ1 LYS 82 3HZ LYS 82 21.050 33.160 17.569 367 HZ2 LYS 82 1HZ LYS 82 20.537 33.285 15.958 368 HZ3 LYS 82 2HZ LYS 82 21.448 31.940 16.456 369 H MET 83 HN MET 83 17.144 26.020 14.492 370 HA MET 83 HA MET 83 17.803 24.623 12.099 371 HB2 MET 83 2HB MET 83 15.068 25.286 13.236 372 HB3 MET 83 1HB MET 83 15.389 24.069 12.001 373 HG2 MET 83 2HG MET 83 16.972 22.962 13.637 374 HG3 MET 83 1HG MET 83 16.383 24.084 14.864 375 HE1 MET 83 3HE MET 83 15.491 20.779 15.721 376 HE2 MET 83 1HE MET 83 14.441 21.929 16.559 377 HE3 MET 83 2HE MET 83 16.106 22.363 16.181 378 H GLU 84 HN GLU 84 16.769 27.861 12.599 379 HA GLU 84 HA GLU 84 15.477 28.272 10.044 380 HB2 GLU 84 2HB GLU 84 16.780 30.202 11.985 381 HB3 GLU 84 1HB GLU 84 15.887 30.704 10.549 382 HG2 GLU 84 2HG GLU 84 13.892 29.482 11.397 383 HG3 GLU 84 1HG GLU 84 14.791 29.070 12.858 384 H SER 85 HN SER 85 18.797 28.754 11.241 385 HA SER 85 HA SER 85 19.857 29.941 8.881 386 HG SER 85 HG SER 85 22.243 28.574 8.773 387 HB2 SER 85 2HB SER 85 21.103 29.882 10.999 388 HB3 SER 85 1HB SER 85 21.224 28.126 10.892 389 H ALA 86 HN ALA 86 19.433 26.536 9.802 390 HA ALA 86 HA ALA 86 20.813 25.419 7.554 391 HB1 ALA 86 1HB ALA 86 19.244 23.416 8.051 392 HB2 ALA 86 2HB ALA 86 18.667 24.386 9.406 393 HB3 ALA 86 3HB ALA 86 20.364 23.913 9.319 394 H ASP 87 HN ASP 87 17.401 26.310 8.055 395 HA ASP 87 HA ASP 87 16.478 25.347 5.513 396 HB2 ASP 87 2HB ASP 87 14.998 25.949 7.453 397 HB3 ASP 87 1HB ASP 87 15.349 27.648 7.133 398 H GLN 88 HN GLN 88 17.747 28.493 6.577 399 HA GLN 88 HA GLN 88 17.273 29.824 4.061 400 HB2 GLN 88 2HB GLN 88 17.675 31.028 6.207 401 HB3 GLN 88 1HB GLN 88 19.345 30.463 6.184 402 HG2 GLN 88 2HG GLN 88 19.647 31.581 3.970 403 HG3 GLN 88 1HG GLN 88 18.009 32.221 4.103 404 HE21 GLN 88 1HE2 GLN 88 18.050 34.350 4.824 405 HE22 GLN 88 2HE2 GLN 88 19.143 34.978 5.960 406 H ALA 89 HN ALA 89 20.079 28.119 5.437 407 HA ALA 89 HA ALA 89 21.772 28.664 3.141 408 HB1 ALA 89 1HB ALA 89 22.748 26.366 4.424 409 HB2 ALA 89 2HB ALA 89 22.011 27.323 5.708 410 HB3 ALA 89 3HB ALA 89 23.275 28.026 4.699 411 H VAL 90 HN VAL 90 19.830 25.878 4.216 412 HA VAL 90 HA VAL 90 20.572 24.098 2.124 413 HB VAL 90 HB VAL 90 18.007 24.354 3.715 414 HG11 VAL 90 1HG1 VAL 90 18.902 22.120 1.866 415 HG12 VAL 90 2HG1 VAL 90 17.573 23.237 1.552 416 HG13 VAL 90 3HG1 VAL 90 17.468 22.094 2.892 417 HG21 VAL 90 3HG2 VAL 90 19.123 23.203 5.297 418 HG22 VAL 90 1HG2 VAL 90 20.593 23.412 4.345 419 HG23 VAL 90 2HG2 VAL 90 19.597 21.974 4.125 420 H ALA 91 HN ALA 91 18.218 26.726 2.222 421 HA ALA 91 HA ALA 91 17.058 26.017 -0.366 422 HB1 ALA 91 1HB ALA 91 16.067 27.421 1.679 423 HB2 ALA 91 2HB ALA 91 15.557 27.726 0.019 424 HB3 ALA 91 3HB ALA 91 16.769 28.762 0.773 425 H GLU 92 HN GLU 92 19.142 28.686 0.802 426 HA GLU 92 HA GLU 92 19.586 29.715 -1.868 427 HB2 GLU 92 2HB GLU 92 21.159 30.163 0.685 428 HB3 GLU 92 1HB GLU 92 21.304 31.121 -0.788 429 HG2 GLU 92 2HG GLU 92 18.742 30.787 0.800 430 HG3 GLU 92 1HG GLU 92 19.810 32.185 0.909 431 H LEU 93 HN LEU 93 21.522 27.680 0.336 432 HA LEU 93 HA LEU 93 23.772 27.482 -1.452 433 HG LEU 93 HG LEU 93 23.151 27.751 1.704 434 HB2 LEU 93 2HB LEU 93 22.906 25.568 0.735 435 HB3 LEU 93 1HB LEU 93 24.506 25.647 -0.002 436 HD11 LEU 93 1HD1 LEU 93 25.582 27.458 2.752 437 HD12 LEU 93 2HD1 LEU 93 25.471 25.880 1.972 438 HD13 LEU 93 3HD1 LEU 93 24.271 26.357 3.175 439 HD21 LEU 93 3HD2 LEU 93 24.201 28.873 -0.201 440 HD22 LEU 93 1HD2 LEU 93 25.686 27.953 0.047 441 HD23 LEU 93 2HD2 LEU 93 25.171 29.138 1.247 442 H ASN 94 HN ASN 94 20.833 25.552 -1.016 443 HA ASN 94 HA ASN 94 21.705 23.474 -2.863 444 HB2 ASN 94 2HB ASN 94 19.999 23.141 -1.030 445 HB3 ASN 94 1HB ASN 94 18.880 24.111 -1.985 446 HD21 ASN 94 1HD2 ASN 94 17.817 21.721 -1.734 447 HD22 ASN 94 2HD2 ASN 94 18.117 20.690 -3.049 448 H GLY 95 HN GLY 95 21.511 23.499 -5.059 449 HA2 GLY 95 2HA GLY 95 20.414 24.037 -7.137 450 HA3 GLY 95 1HA GLY 95 19.554 25.338 -6.316 451 H THR 96 HN THR 96 22.947 25.059 -5.703 452 HA THR 96 HA THR 96 23.421 27.390 -7.520 453 HB THR 96 HB THR 96 24.933 28.303 -5.910 454 HG1 THR 96 1HG THR 96 25.820 27.134 -4.360 455 HG21 THR 96 3HG2 THR 96 23.169 27.495 -3.785 456 HG22 THR 96 1HG2 THR 96 22.237 27.733 -5.263 457 HG23 THR 96 2HG2 THR 96 23.239 29.039 -4.631 458 H GLN 97 HN GLN 97 25.585 27.495 -8.463 459 HA GLN 97 HA GLN 97 26.976 24.846 -8.504 460 HB2 GLN 97 2HB GLN 97 25.694 25.232 -10.599 461 HB3 GLN 97 1HB GLN 97 26.583 26.734 -10.848 462 HG2 GLN 97 2HG GLN 97 28.704 25.466 -10.908 463 HG3 GLN 97 1HG GLN 97 27.810 23.964 -10.666 464 HE21 GLN 97 1HE2 GLN 97 29.276 24.033 -12.978 465 HE22 GLN 97 2HE2 GLN 97 28.281 24.289 -14.331 466 H VAL 98 HN VAL 98 29.283 24.969 -8.800 467 HA VAL 98 HA VAL 98 30.402 27.593 -7.950 468 HB VAL 98 HB VAL 98 32.089 25.132 -8.107 469 HG11 VAL 98 1HG1 VAL 98 32.102 27.731 -6.843 470 HG12 VAL 98 2HG1 VAL 98 33.408 26.553 -6.961 471 HG13 VAL 98 3HG1 VAL 98 32.260 26.466 -5.625 472 HG21 VAL 98 3HG2 VAL 98 29.616 25.388 -6.512 473 HG22 VAL 98 1HG2 VAL 98 31.044 24.932 -5.584 474 HG23 VAL 98 2HG2 VAL 98 30.527 23.942 -6.950 475 H GLU 99 HN GLU 99 33.071 27.047 -8.877 476 HA GLU 99 HA GLU 99 33.009 28.197 -11.455 477 HB2 GLU 99 2HB GLU 99 35.152 26.456 -10.198 478 HB3 GLU 99 1HB GLU 99 35.382 27.455 -11.633 479 HG2 GLU 99 2HG GLU 99 34.549 28.481 -8.900 480 HG3 GLU 99 1HG GLU 99 36.169 28.612 -9.586 481 H SER 100 HN SER 100 33.142 24.779 -10.493 482 HA SER 100 HA SER 100 32.015 24.006 -13.080 483 HG SER 100 HG SER 100 34.678 21.882 -14.172 484 HB2 SER 100 2HB SER 100 34.354 24.116 -13.723 485 HB3 SER 100 1HB SER 100 34.828 23.183 -12.303 486 H VAL 101 HN VAL 101 31.446 23.788 -10.150 487 HA VAL 101 HA VAL 101 30.991 20.847 -10.127 488 HB VAL 101 HB VAL 101 32.062 22.433 -7.771 489 HG11 VAL 101 1HG1 VAL 101 31.322 19.513 -8.128 490 HG12 VAL 101 2HG1 VAL 101 30.563 20.672 -7.035 491 HG13 VAL 101 3HG1 VAL 101 32.220 20.141 -6.746 492 HG21 VAL 101 3HG2 VAL 101 33.706 21.920 -9.628 493 HG22 VAL 101 1HG2 VAL 101 33.390 20.208 -9.344 494 HG23 VAL 101 2HG2 VAL 101 34.110 21.194 -8.072 495 H GLN 102 HN GLN 102 29.077 20.246 -9.005 496 HA GLN 102 HA GLN 102 27.198 22.503 -8.573 497 HB2 GLN 102 2HB GLN 102 26.705 19.512 -8.699 498 HB3 GLN 102 1HB GLN 102 25.456 20.750 -8.580 499 HG2 GLN 102 2HG GLN 102 26.164 21.703 -10.727 500 HG3 GLN 102 1HG GLN 102 27.469 20.521 -10.839 501 HE21 GLN 102 1HE2 GLN 102 25.485 20.621 -12.869 502 HE22 GLN 102 2HE2 GLN 102 24.525 19.224 -12.772 503 H LEU 103 HN LEU 103 26.191 22.864 -6.578 504 HA LEU 103 HA LEU 103 27.365 21.352 -4.282 505 HG LEU 103 HG LEU 103 28.571 23.808 -5.267 506 HB2 LEU 103 2HB LEU 103 26.240 24.161 -4.471 507 HB3 LEU 103 1HB LEU 103 26.664 23.384 -2.945 508 HD11 LEU 103 1HD1 LEU 103 28.109 25.948 -4.289 509 HD12 LEU 103 2HD1 LEU 103 29.643 25.413 -3.604 510 HD13 LEU 103 3HD1 LEU 103 28.161 25.284 -2.657 511 HD21 LEU 103 3HD2 LEU 103 28.872 22.651 -2.488 512 HD22 LEU 103 1HD2 LEU 103 30.251 23.209 -3.435 513 HD23 LEU 103 2HD2 LEU 103 29.254 21.880 -4.027 514 H LYS 104 HN LYS 104 25.977 20.297 -2.891 515 HA LYS 104 HA LYS 104 23.048 20.703 -3.342 516 HB2 LYS 104 2HB LYS 104 24.543 18.106 -2.874 517 HB3 LYS 104 1HB LYS 104 22.786 18.255 -2.843 518 HG2 LYS 104 2HG LYS 104 22.871 19.165 -5.173 519 HG3 LYS 104 1HG LYS 104 24.607 18.859 -5.192 520 HD2 LYS 104 2HD LYS 104 24.136 16.448 -4.706 521 HD3 LYS 104 1HD LYS 104 22.413 16.795 -4.844 522 HE2 LYS 104 2HE LYS 104 23.378 17.909 -7.155 523 HE3 LYS 104 1HE LYS 104 24.454 16.527 -6.959 524 HZ1 LYS 104 3HZ LYS 104 21.880 15.664 -6.358 525 HZ2 LYS 104 1HZ LYS 104 22.832 15.237 -7.695 526 HZ3 LYS 104 2HZ LYS 104 21.768 16.558 -7.799 527 H VAL 105 HN VAL 105 21.952 21.186 -1.497 528 HA VAL 105 HA VAL 105 23.290 20.561 1.106 529 HB VAL 105 HB VAL 105 21.459 22.910 0.542 530 HG11 VAL 105 1HG1 VAL 105 22.432 23.714 2.705 531 HG12 VAL 105 2HG1 VAL 105 23.264 22.168 2.864 532 HG13 VAL 105 3HG1 VAL 105 21.500 22.227 2.881 533 HG21 VAL 105 3HG2 VAL 105 23.221 23.976 -0.364 534 HG22 VAL 105 1HG2 VAL 105 24.198 22.518 -0.194 535 HG23 VAL 105 2HG2 VAL 105 24.142 23.700 1.114 536 H ASN 106 HN ASN 106 21.942 19.758 2.756 537 HA ASN 106 HA ASN 106 19.042 19.610 2.358 538 HB2 ASN 106 2HB ASN 106 20.769 17.119 2.245 539 HB3 ASN 106 1HB ASN 106 19.020 17.099 2.473 540 HD21 ASN 106 1HD2 ASN 106 21.148 16.534 0.096 541 HD22 ASN 106 2HD2 ASN 106 20.317 17.165 -1.243 542 H ILE 107 HN ILE 107 18.474 17.593 4.189 543 HA ILE 107 HA ILE 107 19.644 18.755 6.678 544 HB ILE 107 HB ILE 107 17.105 17.125 6.378 545 HG12 ILE 107 1HG1 ILE 107 16.803 19.159 5.120 546 HG13 ILE 107 2HG1 ILE 107 15.992 19.380 6.670 547 HG21 ILE 107 1HG2 ILE 107 18.153 17.167 8.634 548 HG22 ILE 107 2HG2 ILE 107 16.603 18.010 8.608 549 HG23 ILE 107 3HG2 ILE 107 18.108 18.931 8.600 550 HD11 ILE 107 3HD1 ILE 107 17.199 21.343 6.627 551 HD12 ILE 107 1HD1 ILE 107 18.479 20.655 5.629 552 HD13 ILE 107 2HD1 ILE 107 18.419 20.297 7.354 553 H ALA 108 HN ALA 108 21.050 17.482 7.779 554 HA ALA 108 HA ALA 108 21.253 14.620 7.049 555 HB1 ALA 108 1HB ALA 108 23.007 16.062 9.036 556 HB2 ALA 108 2HB ALA 108 23.252 16.252 7.299 557 HB3 ALA 108 3HB ALA 108 23.398 14.659 8.041 558 H ARG 109 HN ARG 109 22.349 13.778 9.589 559 HA ARG 109 HA ARG 109 20.123 12.751 10.905 560 HE ARG 109 HE ARG 109 25.319 12.347 11.701 561 HB2 ARG 109 2HB ARG 109 22.751 13.589 12.172 562 HB3 ARG 109 1HB ARG 109 21.583 12.477 12.887 563 HG2 ARG 109 2HG ARG 109 21.837 10.987 10.906 564 HG3 ARG 109 1HG ARG 109 23.067 12.078 10.270 565 HD2 ARG 109 2HD ARG 109 23.210 10.614 12.924 566 HD3 ARG 109 1HD ARG 109 24.107 10.187 11.467 567 HH11 ARG 109 1HH1 ARG 109 25.510 10.551 14.253 568 HH12 ARG 109 2HH1 ARG 109 25.412 11.771 15.478 569 HH21 ARG 109 1HH2 ARG 109 24.280 14.231 13.311 570 HH22 ARG 109 2HH2 ARG 109 24.716 13.854 14.944 571 H LYS 110 HN LYS 110 19.260 13.370 13.109 572 HA LYS 110 HA LYS 110 18.508 16.201 13.075 573 HB2 LYS 110 2HB LYS 110 17.788 13.908 14.923 574 HB3 LYS 110 1HB LYS 110 17.149 15.543 15.100 575 HG2 LYS 110 2HG LYS 110 16.281 15.406 12.757 576 HG3 LYS 110 1HG LYS 110 16.821 13.728 12.692 577 HD2 LYS 110 2HD LYS 110 15.411 13.355 14.801 578 HD3 LYS 110 1HD LYS 110 14.695 14.934 14.472 579 HE2 LYS 110 2HE LYS 110 13.460 14.134 12.746 580 HE3 LYS 110 1HE LYS 110 14.803 13.181 12.115 581 HZ1 LYS 110 3HZ LYS 110 13.973 11.372 13.052 582 HZ2 LYS 110 1HZ LYS 110 12.603 12.258 13.513 583 HZ3 LYS 110 2HZ LYS 110 13.919 12.115 14.579 584 H GLN 111 HN GLN 111 21.257 14.812 14.033 585 HA GLN 111 HA GLN 111 22.918 15.368 15.595 586 HB2 GLN 111 2HB GLN 111 22.508 17.619 14.588 587 HB3 GLN 111 1HB GLN 111 21.303 17.925 15.839 588 HG2 GLN 111 2HG GLN 111 23.618 18.850 16.329 589 HG3 GLN 111 1HG GLN 111 22.960 17.792 17.578 590 HE21 GLN 111 1HE2 GLN 111 24.513 16.983 14.424 591 HE22 GLN 111 2HE2 GLN 111 25.731 16.016 15.103 592 HA PRO 112 HA PRO 112 20.454 14.028 19.205 593 HB2 PRO 112 2HB PRO 112 22.435 12.553 20.297 594 HB3 PRO 112 1HB PRO 112 21.397 11.953 19.002 595 HG2 PRO 112 2HG PRO 112 24.170 13.066 18.851 596 HG3 PRO 112 1HG PRO 112 23.483 11.676 18.007 597 HD2 PRO 112 1HD PRO 112 23.799 14.098 16.820 598 HD3 PRO 112 2HD PRO 112 22.501 12.986 16.384 599 H MET 113 HN MET 113 23.641 15.512 19.054 600 HA MET 113 HA MET 113 24.249 16.026 21.705 601 HB2 MET 113 2HB MET 113 25.757 16.884 20.109 602 HB3 MET 113 1HB MET 113 24.494 17.722 19.221 603 HG2 MET 113 2HG MET 113 24.442 18.828 21.822 604 HG3 MET 113 1HG MET 113 26.143 18.680 21.403 605 HE1 MET 113 3HE MET 113 23.519 19.703 18.096 606 HE2 MET 113 1HE MET 113 22.689 20.545 19.410 607 HE3 MET 113 2HE MET 113 23.051 18.828 19.551 608 H LEU 114 HN LEU 114 21.582 17.295 19.838 609 HA LEU 114 HA LEU 114 20.208 18.174 22.223 610 HG LEU 114 HG LEU 114 20.443 21.596 22.650 611 HB2 LEU 114 2HB LEU 114 21.892 20.038 21.829 612 HB3 LEU 114 1HB LEU 114 21.068 20.363 20.310 613 HD11 LEU 114 1HD1 LEU 114 19.271 21.241 20.043 614 HD12 LEU 114 2HD1 LEU 114 19.217 22.653 21.098 615 HD13 LEU 114 3HD1 LEU 114 17.995 21.390 21.250 616 HD21 LEU 114 3HD2 LEU 114 18.337 20.663 23.506 617 HD22 LEU 114 1HD2 LEU 114 19.651 19.501 23.701 618 HD23 LEU 114 2HD2 LEU 114 18.480 19.298 22.398 619 H ASP 115 HN ASP 115 19.880 16.576 19.699 620 HA ASP 115 HA ASP 115 18.230 16.204 18.064 621 HB2 ASP 115 2HB ASP 115 16.666 17.854 20.075 622 HB3 ASP 115 1HB ASP 115 15.939 16.970 18.733 623 H ALA 116 HN ALA 116 20.002 18.433 17.631 624 HA ALA 116 HA ALA 116 20.158 20.105 15.965 625 HB1 ALA 116 1HB ALA 116 17.715 18.833 15.370 626 HB2 ALA 116 2HB ALA 116 18.596 19.969 14.347 627 HB3 ALA 116 3HB ALA 116 17.347 20.557 15.446 628 H ALA 117 HN ALA 117 16.918 20.844 17.237 629 HA ALA 117 HA ALA 117 17.897 22.796 19.133 630 HB1 ALA 117 1HB ALA 117 16.369 24.291 17.153 631 HB2 ALA 117 2HB ALA 117 17.875 23.658 16.483 632 HB3 ALA 117 3HB ALA 117 17.910 24.694 17.910 633 H THR 118 HN THR 118 16.244 21.046 19.970 634 HA THR 118 HA THR 118 13.513 22.236 19.720 635 HB THR 118 HB THR 118 12.544 20.063 19.915 636 HG1 THR 118 1HG THR 118 13.592 18.864 21.288 637 HG21 THR 118 3HG2 THR 118 13.426 20.507 17.682 638 HG22 THR 118 1HG2 THR 118 13.632 18.798 18.067 639 HG23 THR 118 2HG2 THR 118 15.009 19.894 18.161 640 H GLY 119 HN GLY 119 12.181 21.954 21.724 641 HA2 GLY 119 2HA GLY 119 11.918 21.865 24.078 642 HA3 GLY 119 1HA GLY 119 13.587 21.310 24.210 643 H LYS 120 HN LYS 120 13.076 24.113 22.277 644 HA LYS 120 HA LYS 120 14.832 25.764 23.726 645 HB2 LYS 120 2HB LYS 120 12.463 26.591 22.018 646 HB3 LYS 120 1HB LYS 120 13.778 27.658 22.512 647 HG2 LYS 120 2HG LYS 120 15.384 26.075 21.393 648 HG3 LYS 120 1HG LYS 120 13.995 25.185 20.772 649 HD2 LYS 120 2HD LYS 120 14.531 28.129 20.275 650 HD3 LYS 120 1HD LYS 120 14.864 26.835 19.124 651 HE2 LYS 120 2HE LYS 120 12.259 26.308 19.784 652 HE3 LYS 120 1HE LYS 120 12.289 28.069 19.876 653 HZ1 LYS 120 3HZ LYS 120 13.287 26.486 17.570 654 HZ2 LYS 120 1HZ LYS 120 13.169 28.175 17.662 655 HZ3 LYS 120 2HZ LYS 120 11.759 27.226 17.641 656 H SER 121 HN SER 121 11.374 25.223 24.168 657 HA SER 121 HA SER 121 11.513 26.970 26.594 658 HG SER 121 HG SER 121 10.173 28.372 26.816 659 HB2 SER 121 2HB SER 121 9.761 27.140 24.359 660 HB3 SER 121 1HB SER 121 8.804 26.565 25.726
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