![]() |
NMR Restraints Grid |
![]() |
Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
![]() |
12777 |
1tle ![]() ![]() |
cing | recoord | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ARG 1 HT3 ARG 1 15.421 66.351 87.807 2 2H ARG 1 HT2 ARG 1 13.953 67.196 87.946 3 3H ARG 1 HT1 ARG 1 14.684 66.522 89.324 4 HA ARG 1 HA ARG 1 14.192 64.341 88.685 5 1HB ARG 1 HB2 ARG 1 12.231 66.113 89.228 6 2HB ARG 1 HB1 ARG 1 11.716 65.599 87.621 7 1HG ARG 1 HG2 ARG 1 10.677 64.118 89.219 8 2HG ARG 1 HG1 ARG 1 11.951 63.208 88.406 9 1HD ARG 1 HD2 ARG 1 12.479 62.688 90.588 10 2HD ARG 1 HD1 ARG 1 13.406 64.179 90.429 11 HE ARG 1 HE ARG 1 10.848 63.885 91.900 12 1HH1 ARG 1 HH11 ARG 1 10.659 66.509 90.711 13 2HH1 ARG 1 HH12 ARG 1 11.566 67.527 91.779 14 1HH2 ARG 1 HH21 ARG 1 13.231 64.894 93.303 15 2HH2 ARG 1 HH22 ARG 1 13.023 66.613 93.246 16 HA PRO 2 HA PRO 2 14.924 64.212 84.209 17 1HB PRO 2 HB2 PRO 2 16.304 61.836 84.310 18 2HB PRO 2 HB1 PRO 2 17.055 63.417 84.587 19 1HG PRO 2 HG2 PRO 2 16.354 61.302 86.566 20 2HG PRO 2 HG1 PRO 2 17.602 62.555 86.658 21 1HD PRO 2 HD2 PRO 2 15.088 62.615 87.961 22 2HD PRO 2 HD1 PRO 2 16.207 63.984 87.782 23 H CYS 3 HN CYS 3 13.952 61.483 86.296 24 HA CYS 3 HA CYS 3 12.253 60.476 84.056 25 1HB CYS 3 HB2 CYS 3 12.083 58.410 85.597 26 2HB CYS 3 HB1 CYS 3 13.628 58.698 84.800 27 H GLN 4 HN GLN 4 10.050 60.534 84.267 28 HA GLN 4 HA GLN 4 8.849 62.115 86.335 29 1HB GLN 4 HB2 GLN 4 7.731 60.267 84.223 30 2HB GLN 4 HB1 GLN 4 6.682 61.086 85.381 31 1HG GLN 4 HG2 GLN 4 8.711 62.773 84.006 32 2HG GLN 4 HG1 GLN 4 7.371 62.190 83.019 33 1HE2 GLN 4 HE22 GLN 4 6.558 65.410 84.984 34 2HE2 GLN 4 HE21 GLN 4 7.987 64.975 84.178 35 H CYS 5 HN CYS 5 7.941 61.525 88.274 36 HA CYS 5 HA CYS 5 6.943 58.953 88.944 37 1HB CYS 5 HB2 CYS 5 9.418 58.408 88.668 38 2HB CYS 5 HB1 CYS 5 9.709 59.418 90.083 39 H ASN 6 HN ASN 6 6.326 58.845 91.239 40 HA ASN 6 HA ASN 6 5.433 61.291 92.321 41 1HB ASN 6 HB2 ASN 6 5.868 58.548 93.449 42 2HB ASN 6 HB1 ASN 6 5.494 59.871 94.555 43 1HD2 ASN 6 HD22 ASN 6 2.071 59.504 93.841 44 2HD2 ASN 6 HD21 ASN 6 3.285 59.724 95.006 45 H ASP 7 HN ASP 7 6.171 62.153 94.558 46 HA ASP 7 HA ASP 7 9.021 62.811 94.314 47 1HB ASP 7 HB2 ASP 7 7.217 64.460 94.971 48 2HB ASP 7 HB1 ASP 7 7.116 63.622 96.519 49 H ASN 8 HN ASN 8 9.485 60.335 94.745 50 HA ASN 8 HA ASN 8 10.179 60.133 97.639 51 1HB ASN 8 HB2 ASN 8 9.201 57.634 96.331 52 2HB ASN 8 HB1 ASN 8 9.079 58.142 98.015 53 1HD2 ASN 8 HD22 ASN 8 5.904 59.644 97.596 54 2HD2 ASN 8 HD21 ASN 8 7.180 59.293 98.659 55 H ILE 9 HN ILE 9 12.156 60.812 96.126 56 HA ILE 9 HA ILE 9 13.771 58.373 95.816 57 HB ILE 9 HB ILE 9 14.444 58.953 93.503 58 1HG1 ILE 9 HG12 ILE 9 12.293 60.591 92.692 59 2HG1 ILE 9 HG11 ILE 9 12.944 61.339 94.152 60 1HG2 ILE 9 HG23 ILE 9 12.464 57.407 94.100 61 2HG2 ILE 9 HG22 ILE 9 11.432 58.750 93.608 62 3HG2 ILE 9 HG21 ILE 9 12.538 58.016 92.446 63 1HD1 ILE 9 HD11 ILE 9 15.197 60.541 92.679 64 2HD1 ILE 9 HD13 ILE 9 14.092 61.229 91.489 65 3HD1 ILE 9 HD12 ILE 9 14.599 62.188 92.879 66 H ASP 10 HN ASP 10 16.029 58.870 95.802 67 HA ASP 10 HA ASP 10 16.610 61.651 96.711 68 1HB ASP 10 HB2 ASP 10 17.733 58.973 97.386 69 2HB ASP 10 HB1 ASP 10 18.842 60.344 97.408 70 HA PRO 11 HA PRO 11 18.774 62.070 92.834 71 1HB PRO 11 HB2 PRO 11 19.768 64.576 93.346 72 2HB PRO 11 HB1 PRO 11 18.101 64.266 92.832 73 1HG PRO 11 HG2 PRO 11 19.134 64.979 95.543 74 2HG PRO 11 HG1 PRO 11 17.552 65.316 94.822 75 1HD PRO 11 HD2 PRO 11 18.083 63.281 96.688 76 2HD PRO 11 HD1 PRO 11 16.648 63.378 95.642 77 H ASN 12 HN ASN 12 20.141 61.823 95.912 78 HA ASN 12 HA ASN 12 22.902 62.410 95.175 79 1HB ASN 12 HB2 ASN 12 21.569 61.180 97.584 80 2HB ASN 12 HB1 ASN 12 23.324 61.152 97.411 81 1HD2 ASN 12 HD22 ASN 12 23.590 64.774 97.615 82 2HD2 ASN 12 HD21 ASN 12 24.254 63.463 96.767 83 H ALA 13 HN ALA 13 21.514 59.323 96.368 84 HA ALA 13 HA ALA 13 23.594 57.718 95.282 85 1HB ALA 13 HB2 ALA 13 21.909 57.003 97.020 86 2HB ALA 13 HB1 ALA 13 20.723 56.857 95.723 87 3HB ALA 13 HB3 ALA 13 22.156 55.829 95.728 88 H VAL 14 HN VAL 14 23.175 56.017 93.514 89 HA VAL 14 HA VAL 14 21.722 57.307 91.235 90 HB VAL 14 HB VAL 14 24.314 55.745 91.303 91 1HG1 VAL 14 HG11 VAL 14 22.422 56.302 89.026 92 2HG1 VAL 14 HG13 VAL 14 24.156 56.168 88.735 93 3HG1 VAL 14 HG12 VAL 14 23.269 54.805 89.419 94 1HG2 VAL 14 HG21 VAL 14 23.453 58.543 90.615 95 2HG2 VAL 14 HG23 VAL 14 24.813 58.009 91.602 96 3HG2 VAL 14 HG22 VAL 14 24.887 57.863 89.846 97 H GLY 15 HN GLY 15 20.634 55.831 89.771 98 1HA GLY 15 HA2 GLY 15 19.882 53.607 89.122 99 2HA GLY 15 HA1 GLY 15 20.420 53.015 90.698 100 H ASN 16 HN ASN 16 19.025 55.710 91.697 101 HA ASN 16 HA ASN 16 16.754 54.536 92.839 102 1HB ASN 16 HB2 ASN 16 17.477 57.377 92.184 103 2HB ASN 16 HB1 ASN 16 15.900 57.002 92.882 104 1HD2 ASN 16 HD22 ASN 16 18.814 55.504 95.289 105 2HD2 ASN 16 HD21 ASN 16 18.621 54.945 93.698 106 H CYS 17 HN CYS 17 17.160 55.424 89.528 107 HA CYS 17 HA CYS 17 14.204 55.145 89.162 108 1HB CYS 17 HB2 CYS 17 15.864 57.291 88.393 109 2HB CYS 17 HB1 CYS 17 15.498 56.412 86.908 110 H ASN 18 HN ASN 18 13.551 53.860 87.335 111 HA ASN 18 HA ASN 18 15.511 51.812 86.551 112 1HB ASN 18 HB2 ASN 18 12.704 51.982 85.461 113 2HB ASN 18 HB1 ASN 18 13.671 50.550 85.755 114 1HD2 ASN 18 HD22 ASN 18 11.397 50.368 88.542 115 2HD2 ASN 18 HD21 ASN 18 11.530 49.927 86.909 116 H ARG 19 HN ARG 19 16.739 52.049 84.742 117 HA ARG 19 HA ARG 19 16.228 54.260 82.915 118 1HB ARG 19 HB2 ARG 19 18.509 53.279 83.684 119 2HB ARG 19 HB1 ARG 19 18.234 52.072 82.427 120 1HG ARG 19 HG2 ARG 19 19.369 53.693 81.214 121 2HG ARG 19 HG1 ARG 19 17.701 54.200 80.947 122 1HD ARG 19 HD2 ARG 19 17.911 56.059 82.265 123 2HD ARG 19 HD1 ARG 19 19.010 55.261 83.392 124 HE ARG 19 HE ARG 19 19.808 56.529 80.821 125 1HH1 ARG 19 HH11 ARG 19 21.226 53.985 82.071 126 2HH1 ARG 19 HH12 ARG 19 22.610 54.760 82.766 127 1HH2 ARG 19 HH21 ARG 19 21.302 57.957 82.458 128 2HH2 ARG 19 HH22 ARG 19 22.653 57.010 82.986 129 H LEU 20 HN LEU 20 15.023 51.108 83.052 130 HA LEU 20 HA LEU 20 14.718 51.048 80.086 131 1HB LEU 20 HB2 LEU 20 14.325 48.668 80.238 132 2HB LEU 20 HB1 LEU 20 15.792 49.053 81.129 133 HG LEU 20 HG LEU 20 13.119 48.869 82.520 134 1HD1 LEU 20 HD13 LEU 20 14.824 46.715 81.440 135 2HD1 LEU 20 HD12 LEU 20 14.352 46.525 83.129 136 3HD1 LEU 20 HD11 LEU 20 13.117 46.688 81.882 137 1HD2 LEU 20 HD23 LEU 20 15.842 49.441 83.267 138 2HD2 LEU 20 HD22 LEU 20 14.401 49.450 84.283 139 3HD2 LEU 20 HD21 LEU 20 15.316 47.959 84.064 140 H THR 21 HN THR 21 12.780 50.595 83.078 141 HA THR 21 HA THR 21 10.319 50.679 81.438 142 HB THR 21 HB THR 21 9.393 50.608 83.964 143 HG1 THR 21 HG1 THR 21 10.865 49.441 85.220 144 1HG2 THR 21 HG21 THR 21 9.056 48.927 82.162 145 2HG2 THR 21 HG23 THR 21 10.637 48.241 82.536 146 3HG2 THR 21 HG22 THR 21 9.342 48.175 83.732 147 H GLY 22 HN GLY 22 12.336 52.886 83.195 148 1HA GLY 22 HA2 GLY 22 12.054 55.192 83.584 149 2HA GLY 22 HA1 GLY 22 10.657 55.126 82.506 150 H GLU 23 HN GLU 23 11.501 53.849 85.761 151 HA GLU 23 HA GLU 23 9.158 55.193 86.922 152 1HB GLU 23 HB2 GLU 23 7.979 53.214 87.542 153 2HB GLU 23 HB1 GLU 23 8.410 52.959 85.852 154 1HG GLU 23 HG2 GLU 23 10.316 51.596 86.489 155 2HG GLU 23 HG1 GLU 23 10.033 51.938 88.197 156 H CYS 24 HN CYS 24 9.332 55.179 89.309 157 HA CYS 24 HA CYS 24 11.947 55.288 90.331 158 1HB CYS 24 HB2 CYS 24 9.286 54.782 91.662 159 2HB CYS 24 HB1 CYS 24 10.778 54.849 92.599 160 H LEU 25 HN LEU 25 13.452 53.663 90.526 161 HA LEU 25 HA LEU 25 12.561 50.854 90.522 162 1HB LEU 25 HB2 LEU 25 14.843 52.095 89.577 163 2HB LEU 25 HB1 LEU 25 15.417 51.361 91.041 164 HG LEU 25 HG LEU 25 14.356 50.119 88.546 165 1HD1 LEU 25 HD11 LEU 25 16.714 49.924 90.313 166 2HD1 LEU 25 HD13 LEU 25 16.176 48.418 89.568 167 3HD1 LEU 25 HD12 LEU 25 16.599 49.800 88.557 168 1HD2 LEU 25 HD23 LEU 25 13.917 49.070 91.321 169 2HD2 LEU 25 HD22 LEU 25 12.822 49.049 89.939 170 3HD2 LEU 25 HD21 LEU 25 14.197 47.947 89.991 171 H LYS 26 HN LYS 26 13.861 53.205 92.801 172 HA LYS 26 HA LYS 26 13.292 51.270 94.989 173 1HB LYS 26 HB2 LYS 26 15.831 52.894 95.016 174 2HB LYS 26 HB1 LYS 26 15.408 51.495 96.000 175 1HG LYS 26 HG2 LYS 26 15.594 50.009 94.123 176 2HG LYS 26 HG1 LYS 26 15.720 51.358 92.993 177 1HD LYS 26 HD2 LYS 26 17.808 52.013 94.459 178 2HD LYS 26 HD1 LYS 26 17.766 50.312 94.926 179 1HE LYS 26 HE2 LYS 26 17.547 50.979 92.018 180 2HE LYS 26 HE1 LYS 26 19.130 51.110 92.785 181 1HZ LYS 26 HZ3 LYS 26 18.670 48.808 93.683 182 2HZ LYS 26 HZ2 LYS 26 17.392 48.726 92.566 183 3HZ LYS 26 HZ1 LYS 26 18.990 48.919 92.023 184 H CYS 27 HN CYS 27 11.420 52.802 95.388 185 HA CYS 27 HA CYS 27 11.656 55.587 95.756 186 1HB CYS 27 HB2 CYS 27 9.939 53.832 97.526 187 2HB CYS 27 HB1 CYS 27 9.599 55.467 96.970 188 H ILE 28 HN ILE 28 11.937 56.830 97.757 189 HA ILE 28 HA ILE 28 14.000 55.618 99.458 190 HB ILE 28 HB ILE 28 13.606 58.106 100.535 191 1HG1 ILE 28 HG12 ILE 28 13.421 58.533 97.569 192 2HG1 ILE 28 HG11 ILE 28 11.956 58.435 98.539 193 1HG2 ILE 28 HG22 ILE 28 15.493 56.732 98.837 194 2HG2 ILE 28 HG21 ILE 28 15.400 58.434 98.387 195 3HG2 ILE 28 HG23 ILE 28 15.794 57.981 100.045 196 1HD1 ILE 28 HD11 ILE 28 14.181 60.221 99.444 197 2HD1 ILE 28 HD13 ILE 28 13.122 60.764 98.142 198 3HD1 ILE 28 HD12 ILE 28 12.446 60.372 99.724 199 H TYR 29 HN TYR 29 11.174 57.559 100.371 200 HA TYR 29 HA TYR 29 11.182 56.718 103.081 201 1HB TYR 29 HB2 TYR 29 8.852 57.791 101.476 202 2HB TYR 29 HB1 TYR 29 8.986 57.778 103.235 203 HD1 TYR 29 HD2 TYR 29 11.933 58.428 103.459 204 HD2 TYR 29 HD1 TYR 29 8.811 60.146 101.060 205 HE1 TYR 29 HE2 TYR 29 13.179 60.570 103.368 206 HE2 TYR 29 HE1 TYR 29 10.057 62.287 100.970 207 HH TYR 29 HH TYR 29 13.303 62.563 101.882 208 H ASN 30 HN ASN 30 11.367 54.352 102.770 209 HA ASN 30 HA ASN 30 10.461 52.166 102.385 210 1HB ASN 30 HB2 ASN 30 8.481 53.232 104.391 211 2HB ASN 30 HB1 ASN 30 9.215 51.631 104.317 212 1HD2 ASN 30 HD22 ASN 30 12.488 53.253 105.289 213 2HD2 ASN 30 HD21 ASN 30 11.951 52.492 103.870 214 H THR 31 HN THR 31 9.444 53.566 100.253 215 HA THR 31 HA THR 31 6.567 52.722 100.292 216 HB THR 31 HB THR 31 6.168 54.483 98.570 217 HG1 THR 31 HG1 THR 31 7.911 56.110 98.546 218 1HG2 THR 31 HG23 THR 31 6.560 54.780 101.355 219 2HG2 THR 31 HG22 THR 31 7.238 56.220 100.596 220 3HG2 THR 31 HG21 THR 31 5.558 55.775 100.299 221 H ALA 32 HN ALA 32 5.773 51.725 98.369 222 HA ALA 32 HA ALA 32 7.839 51.021 96.335 223 1HB ALA 32 HB2 ALA 32 6.160 49.099 97.954 224 2HB ALA 32 HB1 ALA 32 6.874 48.644 96.407 225 3HB ALA 32 HB3 ALA 32 7.912 49.111 97.754 226 H GLY 33 HN GLY 33 6.707 49.835 94.437 227 1HA GLY 33 HA2 GLY 33 4.453 49.490 93.363 228 2HA GLY 33 HA1 GLY 33 4.012 51.067 94.022 229 H PHE 34 HN PHE 34 3.930 50.413 91.233 230 HA PHE 34 HA PHE 34 6.189 51.170 89.735 231 1HB PHE 34 HB2 PHE 34 4.001 50.291 88.823 232 2HB PHE 34 HB1 PHE 34 3.314 51.894 89.067 233 HD1 PHE 34 HD2 PHE 34 4.308 53.874 87.836 234 HD2 PHE 34 HD1 PHE 34 5.396 49.813 86.947 235 HE1 PHE 34 HE2 PHE 34 5.243 54.597 85.657 236 HE2 PHE 34 HE1 PHE 34 6.328 50.538 84.770 237 HZ PHE 34 HZ PHE 34 6.254 52.930 84.125 238 H TYR 35 HN TYR 35 3.936 53.218 91.552 239 HA TYR 35 HA TYR 35 5.542 55.581 90.661 240 1HB TYR 35 HB2 TYR 35 2.595 55.274 91.205 241 2HB TYR 35 HB1 TYR 35 3.372 56.850 91.347 242 HD1 TYR 35 HD2 TYR 35 4.928 57.526 89.310 243 HD2 TYR 35 HD1 TYR 35 1.794 54.595 89.125 244 HE1 TYR 35 HE2 TYR 35 4.824 57.792 86.846 245 HE2 TYR 35 HE1 TYR 35 1.689 54.861 86.662 246 HH TYR 35 HH TYR 35 2.434 57.044 85.019 247 H CYS 36 HN CYS 36 6.044 53.785 92.961 248 HA CYS 36 HA CYS 36 6.455 53.927 95.274 249 1HB CYS 36 HB2 CYS 36 6.659 56.847 94.474 250 2HB CYS 36 HB1 CYS 36 7.206 56.195 96.019 251 H ASP 37 HN ASP 37 3.636 54.191 94.285 252 HA ASP 37 HA ASP 37 2.432 55.985 96.316 253 1HB ASP 37 HB2 ASP 37 1.633 54.916 93.739 254 2HB ASP 37 HB1 ASP 37 0.397 54.609 94.959 255 H ARG 38 HN ARG 38 3.819 53.260 96.821 256 HA ARG 38 HA ARG 38 1.573 52.139 98.415 257 1HB ARG 38 HB2 ARG 38 2.576 50.855 96.237 258 2HB ARG 38 HB1 ARG 38 3.648 50.237 97.494 259 1HG ARG 38 HG2 ARG 38 2.025 48.886 98.267 260 2HG ARG 38 HG1 ARG 38 0.940 50.262 98.475 261 1HD ARG 38 HD2 ARG 38 1.340 48.593 95.982 262 2HD ARG 38 HD1 ARG 38 -0.137 48.774 96.930 263 HE ARG 38 HE ARG 38 0.253 51.331 96.179 264 1HH1 ARG 38 HH21 ARG 38 -0.693 48.532 94.624 265 2HH1 ARG 38 HH22 ARG 38 -0.528 49.151 93.015 266 1HH2 ARG 38 HH11 ARG 38 1.018 52.088 94.017 267 2HH2 ARG 38 HH12 ARG 38 0.443 51.162 92.670 268 H CYS 39 HN CYS 39 2.794 50.349 99.899 269 HA CYS 39 HA CYS 39 5.041 51.797 101.238 270 1HB CYS 39 HB2 CYS 39 2.754 50.189 102.427 271 2HB CYS 39 HB1 CYS 39 4.095 50.804 103.383 272 H LYS 40 HN LYS 40 6.912 50.518 101.625 273 HA LYS 40 HA LYS 40 7.256 48.078 100.257 274 1HB LYS 40 HB2 LYS 40 9.303 47.813 101.528 275 2HB LYS 40 HB1 LYS 40 9.089 49.530 101.187 276 1HG LYS 40 HG2 LYS 40 9.009 50.017 103.380 277 2HG LYS 40 HG1 LYS 40 7.746 48.816 103.649 278 1HD LYS 40 HD2 LYS 40 9.351 47.751 104.868 279 2HD LYS 40 HD1 LYS 40 9.918 47.204 103.289 280 1HE LYS 40 HE2 LYS 40 10.851 49.772 104.596 281 2HE LYS 40 HE1 LYS 40 11.712 48.239 104.740 282 1HZ LYS 40 HZ2 LYS 40 11.472 48.283 102.150 283 2HZ LYS 40 HZ1 LYS 40 11.356 49.960 102.396 284 3HZ LYS 40 HZ3 LYS 40 12.733 49.120 102.921 285 H GLU 41 HN GLU 41 7.193 45.905 100.904 286 HA GLU 41 HA GLU 41 5.112 45.115 102.672 287 1HB GLU 41 HB2 GLU 41 5.841 43.618 100.925 288 2HB GLU 41 HB1 GLU 41 7.480 43.577 101.574 289 1HG GLU 41 HG2 GLU 41 6.424 41.561 102.315 290 2HG GLU 41 HG1 GLU 41 6.477 42.632 103.716 291 H GLY 42 HN GLY 42 5.096 45.094 104.876 292 1HA GLY 42 HA2 GLY 42 6.308 44.126 106.889 293 2HA GLY 42 HA1 GLY 42 7.736 44.982 106.284 294 H PHE 43 HN PHE 43 6.236 47.227 105.293 295 HA PHE 43 HA PHE 43 5.304 48.420 107.852 296 1HB PHE 43 HB2 PHE 43 6.633 49.982 105.644 297 2HB PHE 43 HB1 PHE 43 6.242 50.504 107.284 298 HD1 PHE 43 HD1 PHE 43 7.099 48.008 108.754 299 HD2 PHE 43 HD2 PHE 43 9.021 50.269 105.649 300 HE1 PHE 43 HE1 PHE 43 9.308 47.216 109.549 301 HE2 PHE 43 HE2 PHE 43 11.232 49.478 106.444 302 HZ PHE 43 HZ PHE 43 11.377 47.950 108.393 303 H PHE 44 HN PHE 44 3.374 49.219 107.745 304 HA PHE 44 HA PHE 44 2.081 49.658 105.085 305 1HB PHE 44 HB2 PHE 44 0.434 49.111 107.524 306 2HB PHE 44 HB1 PHE 44 0.111 48.699 105.839 307 HD1 PHE 44 HD2 PHE 44 1.559 46.892 104.737 308 HD2 PHE 44 HD1 PHE 44 1.418 47.534 108.982 309 HE1 PHE 44 HE2 PHE 44 2.474 44.618 105.111 310 HE2 PHE 44 HE1 PHE 44 2.334 45.259 109.357 311 HZ PHE 44 HZ PHE 44 2.861 43.800 107.421 312 H GLY 45 HN GLY 45 -0.003 51.157 105.532 313 1HA GLY 45 HA2 GLY 45 -0.676 53.024 107.160 314 2HA GLY 45 HA1 GLY 45 1.026 53.474 107.119 315 H ASN 46 HN ASN 46 0.767 55.480 106.172 316 HA ASN 46 HA ASN 46 -0.421 55.486 103.420 317 1HB ASN 46 HB2 ASN 46 -0.319 57.585 105.581 318 2HB ASN 46 HB1 ASN 46 -0.533 58.042 103.891 319 1HD2 ASN 46 HD22 ASN 46 -3.916 57.460 105.431 320 2HD2 ASN 46 HD21 ASN 46 -2.615 58.485 105.804 321 HA PRO 47 HA PRO 47 3.932 56.252 102.556 322 1HB PRO 47 HB2 PRO 47 3.743 55.625 99.893 323 2HB PRO 47 HB1 PRO 47 3.917 54.411 101.169 324 1HG PRO 47 HG2 PRO 47 1.498 55.124 99.580 325 2HG PRO 47 HG1 PRO 47 1.909 53.595 100.371 326 1HD PRO 47 HD2 PRO 47 0.099 55.538 101.352 327 2HD PRO 47 HD1 PRO 47 0.762 54.168 102.269 328 H LEU 48 HN LEU 48 1.099 57.809 101.446 329 HA LEU 48 HA LEU 48 2.711 59.855 99.982 330 1HB LEU 48 HB2 LEU 48 -0.221 59.120 99.846 331 2HB LEU 48 HB1 LEU 48 0.431 60.586 99.111 332 HG LEU 48 HG LEU 48 2.116 58.390 98.381 333 1HD1 LEU 48 HD13 LEU 48 -0.641 57.647 98.701 334 2HD1 LEU 48 HD12 LEU 48 -0.246 57.654 96.982 335 3HD1 LEU 48 HD11 LEU 48 0.697 56.668 98.099 336 1HD2 LEU 48 HD21 LEU 48 1.665 60.578 97.186 337 2HD2 LEU 48 HD23 LEU 48 1.602 59.153 96.149 338 3HD2 LEU 48 HD22 LEU 48 0.107 59.912 96.695 339 H ALA 49 HN ALA 49 2.646 59.790 102.865 340 HA ALA 49 HA ALA 49 0.788 61.975 103.612 341 1HB ALA 49 HB3 ALA 49 1.995 59.800 105.000 342 2HB ALA 49 HB2 ALA 49 2.597 61.291 105.723 343 3HB ALA 49 HB1 ALA 49 0.861 60.992 105.634 344 HA PRO 50 HA PRO 50 3.898 65.059 103.251 345 1HB PRO 50 HB2 PRO 50 2.951 66.847 105.120 346 2HB PRO 50 HB1 PRO 50 2.222 66.632 103.518 347 1HG PRO 50 HG2 PRO 50 1.242 65.672 106.173 348 2HG PRO 50 HG1 PRO 50 0.318 66.099 104.723 349 1HD PRO 50 HD2 PRO 50 0.903 63.477 105.556 350 2HD PRO 50 HD1 PRO 50 0.374 63.949 103.926 351 H ASN 51 HN ASN 51 3.045 63.725 106.383 352 HA ASN 51 HA ASN 51 5.691 64.529 107.491 353 1HB ASN 51 HB2 ASN 51 3.417 63.171 108.957 354 2HB ASN 51 HB1 ASN 51 4.794 64.021 109.659 355 1HD2 ASN 51 HD22 ASN 51 1.659 66.189 108.133 356 2HD2 ASN 51 HD21 ASN 51 1.825 64.551 107.719 357 HA PRO 52 HA PRO 52 7.049 60.371 106.751 358 1HB PRO 52 HB2 PRO 52 9.338 60.491 108.279 359 2HB PRO 52 HB1 PRO 52 9.197 61.198 106.660 360 1HG PRO 52 HG2 PRO 52 9.207 62.561 109.310 361 2HG PRO 52 HG1 PRO 52 9.711 63.179 107.731 362 1HD PRO 52 HD2 PRO 52 7.269 63.776 109.014 363 2HD PRO 52 HD1 PRO 52 7.640 64.052 107.297 364 H ALA 53 HN ALA 53 6.361 61.700 109.916 365 HA ALA 53 HA ALA 53 6.782 59.233 111.398 366 1HB ALA 53 HB2 ALA 53 5.534 61.900 111.956 367 2HB ALA 53 HB1 ALA 53 5.157 60.552 113.029 368 3HB ALA 53 HB3 ALA 53 6.829 61.071 112.819 369 H ASP 54 HN ASP 54 4.309 60.451 109.339 370 HA ASP 54 HA ASP 54 2.421 58.363 110.350 371 1HB ASP 54 HB2 ASP 54 1.963 61.006 108.961 372 2HB ASP 54 HB1 ASP 54 0.717 59.758 109.001 373 H LYS 55 HN LYS 55 4.747 58.361 108.284 374 HA LYS 55 HA LYS 55 3.480 57.879 105.730 375 1HB LYS 55 HB2 LYS 55 5.930 58.527 106.229 376 2HB LYS 55 HB1 LYS 55 6.187 56.819 106.559 377 1HG LYS 55 HG2 LYS 55 6.735 57.225 104.232 378 2HG LYS 55 HG1 LYS 55 5.226 56.315 104.277 379 1HD LYS 55 HD2 LYS 55 5.279 58.319 102.692 380 2HD LYS 55 HD1 LYS 55 3.923 58.257 103.815 381 1HE LYS 55 HE2 LYS 55 4.980 60.520 103.677 382 2HE LYS 55 HE1 LYS 55 5.015 59.840 105.303 383 1HZ LYS 55 HZ2 LYS 55 7.290 58.977 104.696 384 2HZ LYS 55 HZ1 LYS 55 7.225 59.998 103.339 385 3HZ LYS 55 HZ3 LYS 55 7.162 60.659 104.899 386 H CYS 56 HN CYS 56 5.354 55.235 105.739 387 HA CYS 56 HA CYS 56 3.079 53.472 106.480 388 1HB CYS 56 HB2 CYS 56 5.579 52.648 104.997 389 2HB CYS 56 HB1 CYS 56 4.012 51.840 105.020 390 H LYS 57 HN LYS 57 3.307 53.014 108.667 391 HA LYS 57 HA LYS 57 6.020 52.167 109.594 392 1HB LYS 57 HB2 LYS 57 3.750 53.592 110.873 393 2HB LYS 57 HB1 LYS 57 4.600 52.427 111.887 394 1HG LYS 57 HG2 LYS 57 6.191 54.366 110.241 395 2HG LYS 57 HG1 LYS 57 5.461 54.912 111.751 396 1HD LYS 57 HD2 LYS 57 6.527 52.769 112.774 397 2HD LYS 57 HD1 LYS 57 7.541 52.776 111.330 398 1HE LYS 57 HE2 LYS 57 8.375 54.985 111.845 399 2HE LYS 57 HE1 LYS 57 7.226 55.161 113.171 400 1HZ LYS 57 HZ1 LYS 57 8.473 52.872 113.809 401 2HZ LYS 57 HZ3 LYS 57 9.737 53.737 113.081 402 3HZ LYS 57 HZ2 LYS 57 8.908 54.400 114.408 403 H ALA 58 HN ALA 58 5.921 50.403 111.330 404 HA ALA 58 HA ALA 58 4.626 48.080 110.262 405 1HB ALA 58 HB2 ALA 58 6.156 48.722 112.752 406 2HB ALA 58 HB1 ALA 58 5.213 47.232 112.718 407 3HB ALA 58 HB3 ALA 58 6.481 47.501 111.522 No H/Q in entry = 407 Start of MODEL 2 1 1H ARG 1 HT3 ARG 1 16.544 68.252 90.584 2 2H ARG 1 HT2 ARG 1 15.344 69.285 91.199 3 3H ARG 1 HT1 ARG 1 15.695 67.823 91.989 4 HA ARG 1 HA ARG 1 13.965 67.000 90.872 5 1HB ARG 1 HB2 ARG 1 13.215 68.158 88.691 6 2HB ARG 1 HB1 ARG 1 13.035 69.069 90.191 7 1HG ARG 1 HG2 ARG 1 14.745 70.527 89.674 8 2HG ARG 1 HG1 ARG 1 15.621 69.328 88.722 9 1HD ARG 1 HD2 ARG 1 13.006 69.964 87.578 10 2HD ARG 1 HD1 ARG 1 14.054 71.379 87.693 11 HE ARG 1 HE ARG 1 14.378 69.248 85.815 12 1HH1 ARG 1 HH21 ARG 1 15.860 71.880 87.348 13 2HH1 ARG 1 HH22 ARG 1 17.451 71.537 86.754 14 1HH2 ARG 1 HH11 ARG 1 16.554 68.506 85.330 15 2HH2 ARG 1 HH12 ARG 1 17.846 69.626 85.616 16 HA PRO 2 HA PRO 2 16.999 64.853 88.254 17 1HB PRO 2 HB2 PRO 2 16.284 62.357 89.160 18 2HB PRO 2 HB1 PRO 2 17.469 63.392 89.975 19 1HG PRO 2 HG2 PRO 2 14.665 62.767 90.764 20 2HG PRO 2 HG1 PRO 2 16.033 63.257 91.777 21 1HD PRO 2 HD2 PRO 2 13.909 64.928 90.916 22 2HD PRO 2 HD1 PRO 2 15.427 65.464 91.669 23 H CYS 3 HN CYS 3 14.462 62.487 88.724 24 HA CYS 3 HA CYS 3 13.667 62.869 85.875 25 1HB CYS 3 HB2 CYS 3 13.152 60.498 87.693 26 2HB CYS 3 HB1 CYS 3 12.875 60.570 85.953 27 H GLN 4 HN GLN 4 11.404 62.903 85.344 28 HA GLN 4 HA GLN 4 9.748 64.425 87.056 29 1HB GLN 4 HB2 GLN 4 7.878 63.678 85.562 30 2HB GLN 4 HB1 GLN 4 9.283 64.265 84.671 31 1HG GLN 4 HG2 GLN 4 9.505 62.280 83.642 32 2HG GLN 4 HG1 GLN 4 9.606 61.454 85.199 33 1HE2 GLN 4 HE22 GLN 4 6.381 60.777 83.049 34 2HE2 GLN 4 HE21 GLN 4 7.908 61.212 82.452 35 H CYS 5 HN CYS 5 9.791 63.443 89.155 36 HA CYS 5 HA CYS 5 7.711 61.462 89.580 37 1HB CYS 5 HB2 CYS 5 10.087 60.320 88.925 38 2HB CYS 5 HB1 CYS 5 10.286 60.475 90.671 39 H ASN 6 HN ASN 6 7.398 61.069 91.931 40 HA ASN 6 HA ASN 6 8.947 62.681 93.822 41 1HB ASN 6 HB2 ASN 6 6.049 63.388 93.258 42 2HB ASN 6 HB1 ASN 6 7.059 64.101 94.515 43 1HD2 ASN 6 HD22 ASN 6 8.788 66.255 92.289 44 2HD2 ASN 6 HD21 ASN 6 8.712 65.630 93.866 45 H ASP 7 HN ASP 7 6.964 62.793 95.842 46 HA ASP 7 HA ASP 7 5.704 61.463 97.328 47 1HB ASP 7 HB2 ASP 7 6.150 59.078 95.535 48 2HB ASP 7 HB1 ASP 7 4.838 59.366 96.676 49 H ASN 8 HN ASN 8 7.957 59.025 95.974 50 HA ASN 8 HA ASN 8 9.437 59.159 98.567 51 1HB ASN 8 HB2 ASN 8 8.909 56.535 97.187 52 2HB ASN 8 HB1 ASN 8 9.360 56.830 98.867 53 1HD2 ASN 8 HD22 ASN 8 5.978 57.964 99.715 54 2HD2 ASN 8 HD21 ASN 8 7.587 58.449 99.962 55 H ILE 9 HN ILE 9 10.869 60.457 97.033 56 HA ILE 9 HA ILE 9 12.896 58.612 95.909 57 HB ILE 9 HB ILE 9 13.076 60.081 93.854 58 1HG1 ILE 9 HG12 ILE 9 10.517 61.067 93.590 59 2HG1 ILE 9 HG11 ILE 9 10.865 61.390 95.289 60 1HG2 ILE 9 HG21 ILE 9 11.733 57.836 94.154 61 2HG2 ILE 9 HG23 ILE 9 10.325 58.878 93.960 62 3HG2 ILE 9 HG22 ILE 9 11.534 58.783 92.680 63 1HD1 ILE 9 HD13 ILE 9 12.717 62.136 93.009 64 2HD1 ILE 9 HD12 ILE 9 11.572 63.251 93.757 65 3HD1 ILE 9 HD11 ILE 9 12.898 62.579 94.707 66 H ASP 10 HN ASP 10 15.006 59.585 95.861 67 HA ASP 10 HA ASP 10 15.148 62.075 97.498 68 1HB ASP 10 HB2 ASP 10 16.800 59.609 97.343 69 2HB ASP 10 HB1 ASP 10 17.659 61.122 97.642 70 HA PRO 11 HA PRO 11 16.932 64.101 93.984 71 1HB PRO 11 HB2 PRO 11 17.932 66.278 95.320 72 2HB PRO 11 HB1 PRO 11 16.215 66.077 94.931 73 1HG PRO 11 HG2 PRO 11 17.599 65.753 97.558 74 2HG PRO 11 HG1 PRO 11 15.926 66.229 97.223 75 1HD PRO 11 HD2 PRO 11 16.750 63.669 98.054 76 2HD PRO 11 HD1 PRO 11 15.180 64.068 97.321 77 H ASN 12 HN ASN 12 18.660 62.847 96.623 78 HA ASN 12 HA ASN 12 21.299 63.823 95.892 79 1HB ASN 12 HB2 ASN 12 20.163 62.399 98.060 80 2HB ASN 12 HB1 ASN 12 21.431 61.371 97.390 81 1HD2 ASN 12 HD22 ASN 12 23.889 64.143 97.845 82 2HD2 ASN 12 HD21 ASN 12 23.322 63.240 96.523 83 H ALA 13 HN ALA 13 19.689 60.606 95.452 84 HA ALA 13 HA ALA 13 21.840 59.344 94.142 85 1HB ALA 13 HB3 ALA 13 18.880 59.009 94.143 86 2HB ALA 13 HB2 ALA 13 19.761 58.258 92.812 87 3HB ALA 13 HB1 ALA 13 20.146 57.827 94.478 88 H VAL 14 HN VAL 14 21.235 58.702 91.558 89 HA VAL 14 HA VAL 14 21.342 61.379 90.228 90 HB VAL 14 HB VAL 14 22.482 58.745 89.258 91 1HG1 VAL 14 HG13 VAL 14 21.889 60.388 87.486 92 2HG1 VAL 14 HG12 VAL 14 22.891 61.592 88.296 93 3HG1 VAL 14 HG11 VAL 14 23.631 60.146 87.609 94 1HG2 VAL 14 HG22 VAL 14 23.436 60.669 91.200 95 2HG2 VAL 14 HG21 VAL 14 24.175 59.149 90.695 96 3HG2 VAL 14 HG23 VAL 14 24.510 60.633 89.803 97 H GLY 15 HN GLY 15 18.967 61.413 90.020 98 1HA GLY 15 HA2 GLY 15 17.417 61.333 88.124 99 2HA GLY 15 HA1 GLY 15 18.097 59.767 87.693 100 H ASN 16 HN ASN 16 18.043 58.616 90.336 101 HA ASN 16 HA ASN 16 16.547 57.307 91.594 102 1HB ASN 16 HB2 ASN 16 14.914 59.856 91.402 103 2HB ASN 16 HB1 ASN 16 14.614 58.539 92.535 104 1HD2 ASN 16 HD22 ASN 16 17.903 60.941 93.117 105 2HD2 ASN 16 HD21 ASN 16 17.219 60.831 91.567 106 H CYS 17 HN CYS 17 16.131 57.637 88.475 107 HA CYS 17 HA CYS 17 13.448 56.338 88.497 108 1HB CYS 17 HB2 CYS 17 12.945 57.431 86.360 109 2HB CYS 17 HB1 CYS 17 13.315 58.642 87.585 110 H ASN 18 HN ASN 18 13.153 54.996 86.360 111 HA ASN 18 HA ASN 18 15.462 53.252 86.091 112 1HB ASN 18 HB2 ASN 18 13.347 53.172 83.996 113 2HB ASN 18 HB1 ASN 18 14.117 51.845 84.843 114 1HD2 ASN 18 HD22 ASN 18 10.758 53.580 86.422 115 2HD2 ASN 18 HD21 ASN 18 11.622 54.377 85.200 116 H ARG 19 HN ARG 19 17.188 53.648 84.794 117 HA ARG 19 HA ARG 19 17.388 55.948 83.135 118 1HB ARG 19 HB2 ARG 19 19.311 54.631 84.100 119 2HB ARG 19 HB1 ARG 19 19.012 53.405 82.867 120 1HG ARG 19 HG2 ARG 19 20.202 54.602 81.385 121 2HG ARG 19 HG1 ARG 19 19.071 55.943 81.568 122 1HD ARG 19 HD2 ARG 19 20.466 56.311 83.819 123 2HD ARG 19 HD1 ARG 19 21.717 55.505 82.875 124 HE ARG 19 HE ARG 19 20.939 58.209 82.524 125 1HH1 ARG 19 HH21 ARG 19 22.745 55.814 81.122 126 2HH1 ARG 19 HH22 ARG 19 22.641 56.411 79.499 127 1HH2 ARG 19 HH11 ARG 19 20.223 58.782 80.248 128 2HH2 ARG 19 HH12 ARG 19 21.209 58.090 79.004 129 H LEU 20 HN LEU 20 15.947 52.865 82.494 130 HA LEU 20 HA LEU 20 16.064 53.419 79.566 131 1HB LEU 20 HB2 LEU 20 15.162 51.011 79.427 132 2HB LEU 20 HB1 LEU 20 16.827 51.227 79.966 133 HG LEU 20 HG LEU 20 14.827 51.317 82.131 134 1HD1 LEU 20 HD11 LEU 20 14.015 49.528 80.451 135 2HD1 LEU 20 HD13 LEU 20 15.467 48.634 80.905 136 3HD1 LEU 20 HD12 LEU 20 14.250 49.020 82.124 137 1HD2 LEU 20 HD22 LEU 20 17.444 51.227 82.160 138 2HD2 LEU 20 HD21 LEU 20 16.544 50.271 83.337 139 3HD2 LEU 20 HD23 LEU 20 17.213 49.499 81.900 140 H THR 21 HN THR 21 13.663 52.744 82.160 141 HA THR 21 HA THR 21 11.502 53.108 80.185 142 HB THR 21 HB THR 21 10.250 52.940 82.619 143 HG1 THR 21 HG1 THR 21 11.425 51.344 83.751 144 1HG2 THR 21 HG21 THR 21 10.573 51.397 80.312 145 2HG2 THR 21 HG23 THR 21 10.995 50.308 81.633 146 3HG2 THR 21 HG22 THR 21 9.421 51.102 81.615 147 H GLY 22 HN GLY 22 12.765 54.780 83.082 148 1HA GLY 22 HA2 GLY 22 12.750 57.178 83.330 149 2HA GLY 22 HA1 GLY 22 11.553 57.276 82.038 150 H GLU 23 HN GLU 23 11.920 56.192 85.444 151 HA GLU 23 HA GLU 23 9.492 57.457 86.280 152 1HB GLU 23 HB2 GLU 23 8.965 55.172 84.842 153 2HB GLU 23 HB1 GLU 23 9.031 54.547 86.490 154 1HG GLU 23 HG2 GLU 23 6.740 55.260 85.907 155 2HG GLU 23 HG1 GLU 23 7.399 56.256 87.207 156 H CYS 24 HN CYS 24 9.013 56.855 88.609 157 HA CYS 24 HA CYS 24 11.283 56.805 90.225 158 1HB CYS 24 HB2 CYS 24 8.429 56.004 90.667 159 2HB CYS 24 HB1 CYS 24 9.612 55.629 91.920 160 H LEU 25 HN LEU 25 12.870 55.300 90.234 161 HA LEU 25 HA LEU 25 12.056 52.417 90.085 162 1HB LEU 25 HB2 LEU 25 13.184 52.964 88.049 163 2HB LEU 25 HB1 LEU 25 14.451 53.839 88.898 164 HG LEU 25 HG LEU 25 15.335 51.824 89.787 165 1HD1 LEU 25 HD11 LEU 25 12.759 50.632 88.764 166 2HD1 LEU 25 HD13 LEU 25 14.156 49.617 89.111 167 3HD1 LEU 25 HD12 LEU 25 13.412 50.562 90.400 168 1HD2 LEU 25 HD23 LEU 25 14.570 51.618 86.882 169 2HD2 LEU 25 HD22 LEU 25 16.118 52.109 87.572 170 3HD2 LEU 25 HD21 LEU 25 15.612 50.421 87.654 171 H LYS 26 HN LYS 26 12.859 54.559 92.263 172 HA LYS 26 HA LYS 26 14.312 52.605 93.922 173 1HB LYS 26 HB2 LYS 26 15.445 55.370 93.413 174 2HB LYS 26 HB1 LYS 26 16.119 54.148 94.490 175 1HG LYS 26 HG2 LYS 26 16.445 52.632 92.567 176 2HG LYS 26 HG1 LYS 26 15.785 53.862 91.489 177 1HD LYS 26 HD2 LYS 26 17.823 55.090 93.069 178 2HD LYS 26 HD1 LYS 26 18.477 53.591 92.412 179 1HE LYS 26 HE2 LYS 26 16.939 55.502 90.660 180 2HE LYS 26 HE1 LYS 26 18.661 55.732 90.957 181 1HZ LYS 26 HZ3 LYS 26 18.982 53.395 90.223 182 2HZ LYS 26 HZ2 LYS 26 17.347 53.357 89.760 183 3HZ LYS 26 HZ1 LYS 26 18.422 54.430 89.001 184 H CYS 27 HN CYS 27 11.886 53.043 94.699 185 HA CYS 27 HA CYS 27 11.123 55.476 95.881 186 1HB CYS 27 HB2 CYS 27 10.553 52.730 97.034 187 2HB CYS 27 HB1 CYS 27 9.584 54.188 97.232 188 H ILE 28 HN ILE 28 11.403 56.307 98.037 189 HA ILE 28 HA ILE 28 13.870 55.256 99.318 190 HB ILE 28 HB ILE 28 13.379 57.633 100.581 191 1HG1 ILE 28 HG12 ILE 28 12.840 58.174 97.667 192 2HG1 ILE 28 HG11 ILE 28 11.518 57.943 98.813 193 1HG2 ILE 28 HG23 ILE 28 15.151 56.585 98.494 194 2HG2 ILE 28 HG22 ILE 28 14.950 58.335 98.404 195 3HG2 ILE 28 HG21 ILE 28 15.539 57.590 99.890 196 1HD1 ILE 28 HD12 ILE 28 13.755 59.951 99.179 197 2HD1 ILE 28 HD11 ILE 28 12.162 60.346 98.532 198 3HD1 ILE 28 HD13 ILE 28 12.322 59.774 100.192 199 H TYR 29 HN TYR 29 10.933 56.839 100.529 200 HA TYR 29 HA TYR 29 11.254 55.852 103.191 201 1HB TYR 29 HB2 TYR 29 8.745 56.880 101.853 202 2HB TYR 29 HB1 TYR 29 9.020 56.751 103.589 203 HD1 TYR 29 HD2 TYR 29 11.146 57.973 104.514 204 HD2 TYR 29 HD1 TYR 29 9.296 58.864 100.742 205 HE1 TYR 29 HE2 TYR 29 12.223 60.207 104.514 206 HE2 TYR 29 HE1 TYR 29 10.371 61.099 100.742 207 HH TYR 29 HH TYR 29 12.867 61.936 102.933 208 H ASN 30 HN ASN 30 11.522 53.473 102.525 209 HA ASN 30 HA ASN 30 10.613 51.315 102.056 210 1HB ASN 30 HB2 ASN 30 9.620 52.491 104.610 211 2HB ASN 30 HB1 ASN 30 8.943 50.943 104.104 212 1HD2 ASN 30 HD22 ASN 30 11.809 49.697 105.879 213 2HD2 ASN 30 HD21 ASN 30 10.160 50.062 106.054 214 H THR 31 HN THR 31 9.396 52.569 100.148 215 HA THR 31 HA THR 31 6.480 51.955 100.523 216 HB THR 31 HB THR 31 6.089 53.665 98.706 217 HG1 THR 31 HG1 THR 31 8.841 54.099 99.207 218 1HG2 THR 31 HG23 THR 31 6.484 54.007 101.438 219 2HG2 THR 31 HG22 THR 31 7.438 55.300 100.712 220 3HG2 THR 31 HG21 THR 31 5.717 55.163 100.350 221 H ALA 32 HN ALA 32 5.439 50.946 98.680 222 HA ALA 32 HA ALA 32 7.411 49.718 96.785 223 1HB ALA 32 HB3 ALA 32 6.061 48.311 98.610 224 2HB ALA 32 HB2 ALA 32 4.817 48.362 97.361 225 3HB ALA 32 HB1 ALA 32 6.397 47.662 97.005 226 H GLY 33 HN GLY 33 5.711 48.561 94.997 227 1HA GLY 33 HA2 GLY 33 4.028 48.996 93.357 228 2HA GLY 33 HA1 GLY 33 3.769 50.586 94.077 229 H PHE 34 HN PHE 34 4.252 49.905 91.245 230 HA PHE 34 HA PHE 34 6.896 50.475 90.419 231 1HB PHE 34 HB2 PHE 34 4.914 49.744 88.971 232 2HB PHE 34 HB1 PHE 34 4.409 51.431 88.962 233 HD1 PHE 34 HD2 PHE 34 7.815 49.873 88.780 234 HD2 PHE 34 HD1 PHE 34 4.855 52.292 86.814 235 HE1 PHE 34 HE2 PHE 34 9.411 50.333 86.944 236 HE2 PHE 34 HE1 PHE 34 6.454 52.749 84.979 237 HZ PHE 34 HZ PHE 34 8.730 51.770 85.041 238 H TYR 35 HN TYR 35 4.359 52.683 91.551 239 HA TYR 35 HA TYR 35 6.243 54.957 91.081 240 1HB TYR 35 HB2 TYR 35 3.226 54.824 91.216 241 2HB TYR 35 HB1 TYR 35 4.099 56.347 91.386 242 HD1 TYR 35 HD1 TYR 35 3.250 53.582 89.094 243 HD2 TYR 35 HD2 TYR 35 5.296 57.337 89.510 244 HE1 TYR 35 HE1 TYR 35 3.449 53.748 86.627 245 HE2 TYR 35 HE2 TYR 35 5.496 57.501 87.045 246 HH TYR 35 HH TYR 35 4.298 56.605 85.043 247 H CYS 36 HN CYS 36 6.274 53.082 93.372 248 HA CYS 36 HA CYS 36 6.299 53.133 95.724 249 1HB CYS 36 HB2 CYS 36 6.586 56.124 95.484 250 2HB CYS 36 HB1 CYS 36 7.356 55.030 96.633 251 H ASP 37 HN ASP 37 3.708 53.199 94.589 252 HA ASP 37 HA ASP 37 2.219 55.246 96.135 253 1HB ASP 37 HB2 ASP 37 1.803 54.269 93.633 254 2HB ASP 37 HB1 ASP 37 0.737 53.218 94.567 255 H ARG 38 HN ARG 38 3.553 52.418 96.971 256 HA ARG 38 HA ARG 38 1.251 51.724 98.724 257 1HB ARG 38 HB2 ARG 38 2.620 50.052 96.779 258 2HB ARG 38 HB1 ARG 38 2.738 49.374 98.403 259 1HG ARG 38 HG2 ARG 38 0.076 50.440 97.658 260 2HG ARG 38 HG1 ARG 38 0.591 48.997 96.783 261 1HD ARG 38 HD2 ARG 38 1.068 47.875 98.944 262 2HD ARG 38 HD1 ARG 38 0.494 49.309 99.798 263 HE ARG 38 HE ARG 38 -1.270 47.659 98.029 264 1HH1 ARG 38 HH11 ARG 38 -2.314 50.321 98.882 265 2HH1 ARG 38 HH12 ARG 38 -3.185 49.932 100.327 266 1HH2 ARG 38 HH21 ARG 38 -1.674 46.837 100.725 267 2HH2 ARG 38 HH22 ARG 38 -2.826 47.960 101.369 268 H CYS 39 HN CYS 39 2.342 49.985 100.373 269 HA CYS 39 HA CYS 39 4.740 51.356 101.519 270 1HB CYS 39 HB2 CYS 39 2.148 50.483 102.689 271 2HB CYS 39 HB1 CYS 39 3.555 50.189 103.697 272 H LYS 40 HN LYS 40 6.482 49.964 102.066 273 HA LYS 40 HA LYS 40 6.639 47.401 100.901 274 1HB LYS 40 HB2 LYS 40 8.694 48.392 101.509 275 2HB LYS 40 HB1 LYS 40 8.145 48.736 103.147 276 1HG LYS 40 HG2 LYS 40 8.149 46.339 103.677 277 2HG LYS 40 HG1 LYS 40 8.650 45.962 102.029 278 1HD LYS 40 HD2 LYS 40 10.614 47.653 102.588 279 2HD LYS 40 HD1 LYS 40 10.224 47.210 104.250 280 1HE LYS 40 HE2 LYS 40 11.543 45.401 103.928 281 2HE LYS 40 HE1 LYS 40 10.236 44.769 102.926 282 1HZ LYS 40 HZ3 LYS 40 12.350 46.557 101.875 283 2HZ LYS 40 HZ2 LYS 40 12.478 44.864 101.848 284 3HZ LYS 40 HZ1 LYS 40 11.232 45.638 100.991 285 H GLU 41 HN GLU 41 6.372 45.303 101.721 286 HA GLU 41 HA GLU 41 4.241 44.872 103.572 287 1HB GLU 41 HB2 GLU 41 4.775 42.519 103.376 288 2HB GLU 41 HB1 GLU 41 4.998 43.257 101.790 289 1HG GLU 41 HG2 GLU 41 7.476 43.611 102.673 290 2HG GLU 41 HG1 GLU 41 7.055 42.254 103.719 291 H GLY 42 HN GLY 42 4.270 44.818 105.777 292 1HA GLY 42 HA2 GLY 42 5.516 43.894 107.794 293 2HA GLY 42 HA1 GLY 42 6.944 44.696 107.117 294 H PHE 43 HN PHE 43 5.618 46.966 106.106 295 HA PHE 43 HA PHE 43 4.548 48.238 108.567 296 1HB PHE 43 HB2 PHE 43 6.242 49.761 106.607 297 2HB PHE 43 HB1 PHE 43 5.781 50.184 108.258 298 HD1 PHE 43 HD1 PHE 43 7.941 48.001 106.180 299 HD2 PHE 43 HD2 PHE 43 6.985 49.308 110.158 300 HE1 PHE 43 HE1 PHE 43 10.010 46.931 107.030 301 HE2 PHE 43 HE2 PHE 43 9.053 48.238 111.010 302 HZ PHE 43 HZ PHE 43 10.567 47.048 109.445 303 H PHE 44 HN PHE 44 2.728 49.225 108.217 304 HA PHE 44 HA PHE 44 1.847 49.717 105.404 305 1HB PHE 44 HB2 PHE 44 -0.010 49.421 107.770 306 2HB PHE 44 HB1 PHE 44 -0.388 49.256 106.057 307 HD1 PHE 44 HD2 PHE 44 0.985 47.387 104.774 308 HD2 PHE 44 HD1 PHE 44 0.380 47.489 109.026 309 HE1 PHE 44 HE2 PHE 44 1.468 44.959 104.900 310 HE2 PHE 44 HE1 PHE 44 0.865 45.060 109.151 311 HZ PHE 44 HZ PHE 44 1.410 43.795 107.088 312 H GLY 45 HN GLY 45 -0.183 51.471 105.715 313 1HA GLY 45 HA2 GLY 45 -0.512 53.517 107.314 314 2HA GLY 45 HA1 GLY 45 1.191 53.799 106.973 315 H ASN 46 HN ASN 46 0.993 55.696 105.850 316 HA ASN 46 HA ASN 46 -0.461 55.516 103.236 317 1HB ASN 46 HB2 ASN 46 -0.419 57.735 105.274 318 2HB ASN 46 HB1 ASN 46 -0.727 58.086 103.575 319 1HD2 ASN 46 HD22 ASN 46 -3.774 56.824 105.767 320 2HD2 ASN 46 HD21 ASN 46 -2.367 57.549 106.379 321 HA PRO 47 HA PRO 47 3.841 56.493 102.264 322 1HB PRO 47 HB2 PRO 47 3.689 55.605 99.666 323 2HB PRO 47 HB1 PRO 47 4.005 54.549 101.051 324 1HG PRO 47 HG2 PRO 47 1.487 54.872 99.475 325 2HG PRO 47 HG1 PRO 47 2.086 53.457 100.358 326 1HD PRO 47 HD2 PRO 47 0.087 55.219 101.268 327 2HD PRO 47 HD1 PRO 47 0.983 54.066 102.282 328 H LEU 48 HN LEU 48 0.894 57.748 101.226 329 HA LEU 48 HA LEU 48 2.243 59.803 99.520 330 1HB LEU 48 HB2 LEU 48 -0.258 58.378 99.260 331 2HB LEU 48 HB1 LEU 48 -0.567 60.111 99.370 332 HG LEU 48 HG LEU 48 -0.154 59.254 97.019 333 1HD1 LEU 48 HD11 LEU 48 1.512 61.400 98.321 334 2HD1 LEU 48 HD13 LEU 48 1.661 61.079 96.593 335 3HD1 LEU 48 HD12 LEU 48 0.110 61.577 97.268 336 1HD2 LEU 48 HD22 LEU 48 2.100 58.101 98.336 337 2HD2 LEU 48 HD21 LEU 48 1.661 57.976 96.632 338 3HD2 LEU 48 HD23 LEU 48 2.711 59.285 97.178 339 H ALA 49 HN ALA 49 2.429 59.862 102.385 340 HA ALA 49 HA ALA 49 0.481 61.915 103.256 341 1HB ALA 49 HB1 ALA 49 2.745 60.543 104.748 342 2HB ALA 49 HB3 ALA 49 1.558 61.630 105.470 343 3HB ALA 49 HB2 ALA 49 1.045 60.077 104.810 344 HA PRO 50 HA PRO 50 3.271 65.242 102.592 345 1HB PRO 50 HB2 PRO 50 2.517 66.925 104.636 346 2HB PRO 50 HB1 PRO 50 1.561 66.679 103.164 347 1HG PRO 50 HG2 PRO 50 1.083 65.620 105.915 348 2HG PRO 50 HG1 PRO 50 -0.085 65.982 104.633 349 1HD PRO 50 HD2 PRO 50 0.830 63.412 105.320 350 2HD PRO 50 HD1 PRO 50 -0.001 63.842 103.811 351 H ASN 51 HN ASN 51 3.286 63.460 105.541 352 HA ASN 51 HA ASN 51 5.794 64.780 106.444 353 1HB ASN 51 HB2 ASN 51 3.619 63.313 107.765 354 2HB ASN 51 HB1 ASN 51 5.226 62.816 108.297 355 1HD2 ASN 51 HD22 ASN 51 4.708 65.609 110.523 356 2HD2 ASN 51 HD21 ASN 51 4.453 63.936 110.398 357 HA PRO 52 HA PRO 52 8.016 61.387 104.646 358 1HB PRO 52 HB2 PRO 52 10.457 61.973 105.773 359 2HB PRO 52 HB1 PRO 52 9.783 62.835 104.379 360 1HG PRO 52 HG2 PRO 52 9.979 63.726 107.223 361 2HG PRO 52 HG1 PRO 52 9.974 64.694 105.739 362 1HD PRO 52 HD2 PRO 52 7.774 64.354 107.461 363 2HD PRO 52 HD1 PRO 52 7.697 64.949 105.788 364 H ALA 53 HN ALA 53 7.692 61.942 108.092 365 HA ALA 53 HA ALA 53 8.781 59.218 108.648 366 1HB ALA 53 HB1 ALA 53 8.832 61.737 110.076 367 2HB ALA 53 HB3 ALA 53 8.100 60.479 111.073 368 3HB ALA 53 HB2 ALA 53 9.720 60.252 110.415 369 H ASP 54 HN ASP 54 5.888 60.668 107.956 370 HA ASP 54 HA ASP 54 4.352 58.903 109.814 371 1HB ASP 54 HB2 ASP 54 3.698 61.451 108.353 372 2HB ASP 54 HB1 ASP 54 2.403 60.370 108.865 373 H LYS 55 HN LYS 55 5.531 58.964 106.700 374 HA LYS 55 HA LYS 55 3.326 58.113 105.144 375 1HB LYS 55 HB2 LYS 55 6.282 57.563 104.910 376 2HB LYS 55 HB1 LYS 55 5.122 56.970 103.718 377 1HG LYS 55 HG2 LYS 55 4.476 59.150 103.081 378 2HG LYS 55 HG1 LYS 55 5.159 59.872 104.537 379 1HD LYS 55 HD2 LYS 55 7.354 59.704 103.750 380 2HD LYS 55 HD1 LYS 55 6.950 58.422 102.607 381 1HE LYS 55 HE2 LYS 55 6.808 60.020 101.022 382 2HE LYS 55 HE1 LYS 55 5.344 60.576 101.831 383 1HZ LYS 55 HZ1 LYS 55 8.103 61.470 102.474 384 2HZ LYS 55 HZ3 LYS 55 6.974 62.354 101.567 385 3HZ LYS 55 HZ2 LYS 55 6.675 62.028 103.207 386 H CYS 56 HN CYS 56 5.623 55.526 105.125 387 HA CYS 56 HA CYS 56 3.548 53.624 105.863 388 1HB CYS 56 HB2 CYS 56 6.530 53.243 105.424 389 2HB CYS 56 HB1 CYS 56 5.365 51.935 105.612 390 H LYS 57 HN LYS 57 4.345 51.841 107.577 391 HA LYS 57 HA LYS 57 6.039 52.316 109.703 392 1HB LYS 57 HB2 LYS 57 3.722 54.143 109.773 393 2HB LYS 57 HB1 LYS 57 3.996 53.263 111.275 394 1HG LYS 57 HG2 LYS 57 6.485 54.263 110.115 395 2HG LYS 57 HG1 LYS 57 5.344 55.560 110.471 396 1HD LYS 57 HD2 LYS 57 5.436 53.577 112.609 397 2HD LYS 57 HD1 LYS 57 7.017 54.298 112.310 398 1HE LYS 57 HE2 LYS 57 5.729 55.609 113.969 399 2HE LYS 57 HE1 LYS 57 6.049 56.549 112.512 400 1HZ LYS 57 HZ3 LYS 57 3.739 55.410 111.864 401 2HZ LYS 57 HZ2 LYS 57 3.537 55.529 113.547 402 3HZ LYS 57 HZ1 LYS 57 3.851 56.922 112.626 403 H ALA 58 HN ALA 58 5.640 50.899 111.505 404 HA ALA 58 HA ALA 58 4.097 48.566 110.849 405 1HB ALA 58 HB2 ALA 58 5.326 49.466 113.472 406 2HB ALA 58 HB1 ALA 58 4.641 47.865 113.193 407 3HB ALA 58 HB3 ALA 58 6.059 48.388 112.283 No H/Q in entry = 407 Start of MODEL 3 1 1H ARG 1 HT3 ARG 1 13.879 67.110 81.986 2 2H ARG 1 HT2 ARG 1 15.175 68.073 82.515 3 3H ARG 1 HT1 ARG 1 15.179 67.426 80.944 4 HA ARG 1 HA ARG 1 16.586 65.978 81.990 5 1HB ARG 1 HB2 ARG 1 16.145 65.200 84.339 6 2HB ARG 1 HB1 ARG 1 16.407 66.940 84.212 7 1HG ARG 1 HG2 ARG 1 13.667 66.649 83.800 8 2HG ARG 1 HG1 ARG 1 14.029 65.487 85.077 9 1HD ARG 1 HD2 ARG 1 13.944 67.247 86.495 10 2HD ARG 1 HD1 ARG 1 15.507 67.710 85.819 11 HE ARG 1 HE ARG 1 13.401 68.714 84.148 12 1HH1 ARG 1 HH21 ARG 1 13.950 69.006 87.471 13 2HH1 ARG 1 HH22 ARG 1 14.023 70.737 87.477 14 1HH2 ARG 1 HH11 ARG 1 13.913 71.011 84.020 15 2HH2 ARG 1 HH12 ARG 1 14.000 71.873 85.520 16 HA PRO 2 HA PRO 2 14.216 62.453 80.868 17 1HB PRO 2 HB2 PRO 2 15.789 60.450 81.900 18 2HB PRO 2 HB1 PRO 2 16.205 61.374 80.447 19 1HG PRO 2 HG2 PRO 2 17.352 61.578 83.193 20 2HG PRO 2 HG1 PRO 2 18.102 61.954 81.633 21 1HD PRO 2 HD2 PRO 2 17.058 63.842 83.455 22 2HD PRO 2 HD1 PRO 2 17.477 64.153 81.756 23 H CYS 3 HN CYS 3 12.466 61.388 81.736 24 HA CYS 3 HA CYS 3 10.984 60.527 83.333 25 1HB CYS 3 HB2 CYS 3 13.348 60.178 85.171 26 2HB CYS 3 HB1 CYS 3 11.885 59.200 85.064 27 H GLN 4 HN GLN 4 10.543 60.789 85.893 28 HA GLN 4 HA GLN 4 11.418 63.134 87.238 29 1HB GLN 4 HB2 GLN 4 10.135 64.052 85.140 30 2HB GLN 4 HB1 GLN 4 8.693 63.596 86.050 31 1HG GLN 4 HG2 GLN 4 9.117 65.131 87.754 32 2HG GLN 4 HG1 GLN 4 10.844 65.192 87.406 33 1HE2 GLN 4 HE22 GLN 4 8.273 67.528 85.223 34 2HE2 GLN 4 HE21 GLN 4 7.658 66.237 86.137 35 H CYS 5 HN CYS 5 10.828 62.772 89.342 36 HA CYS 5 HA CYS 5 8.196 61.515 89.891 37 1HB CYS 5 HB2 CYS 5 10.294 59.857 89.736 38 2HB CYS 5 HB1 CYS 5 10.520 60.408 91.396 39 H ASN 6 HN ASN 6 7.934 61.400 92.414 40 HA ASN 6 HA ASN 6 9.438 63.351 93.968 41 1HB ASN 6 HB2 ASN 6 6.709 64.028 92.863 42 2HB ASN 6 HB1 ASN 6 7.295 64.759 94.355 43 1HD2 ASN 6 HD22 ASN 6 8.645 66.137 90.819 44 2HD2 ASN 6 HD21 ASN 6 7.398 64.993 90.930 45 H ASP 7 HN ASP 7 7.542 63.883 95.938 46 HA ASP 7 HA ASP 7 6.448 62.936 97.766 47 1HB ASP 7 HB2 ASP 7 5.778 61.005 95.572 48 2HB ASP 7 HB1 ASP 7 5.385 60.585 97.238 49 H ASN 8 HN ASN 8 7.451 59.796 96.428 50 HA ASN 8 HA ASN 8 9.299 59.584 98.778 51 1HB ASN 8 HB2 ASN 8 8.071 57.224 97.360 52 2HB ASN 8 HB1 ASN 8 8.747 57.306 98.988 53 1HD2 ASN 8 HD22 ASN 8 5.754 59.491 99.866 54 2HD2 ASN 8 HD21 ASN 8 7.398 59.862 99.666 55 H ILE 9 HN ILE 9 10.698 60.693 96.943 56 HA ILE 9 HA ILE 9 12.348 58.503 95.822 57 HB ILE 9 HB ILE 9 12.638 59.956 93.712 58 1HG1 ILE 9 HG12 ILE 9 9.974 60.995 93.767 59 2HG1 ILE 9 HG11 ILE 9 10.812 61.569 95.209 60 1HG2 ILE 9 HG21 ILE 9 10.247 58.317 94.466 61 2HG2 ILE 9 HG23 ILE 9 10.257 59.126 92.899 62 3HG2 ILE 9 HG22 ILE 9 11.522 57.965 93.299 63 1HD1 ILE 9 HD13 ILE 9 12.701 62.327 93.782 64 2HD1 ILE 9 HD12 ILE 9 11.803 61.814 92.353 65 3HD1 ILE 9 HD11 ILE 9 11.188 63.129 93.357 66 H ASP 10 HN ASP 10 14.516 59.568 94.963 67 HA ASP 10 HA ASP 10 15.285 61.583 97.020 68 1HB ASP 10 HB2 ASP 10 16.702 59.320 95.693 69 2HB ASP 10 HB1 ASP 10 17.662 60.724 96.159 70 HA PRO 11 HA PRO 11 15.747 64.406 93.594 71 1HB PRO 11 HB2 PRO 11 16.677 66.494 95.105 72 2HB PRO 11 HB1 PRO 11 14.967 66.045 94.997 73 1HG PRO 11 HG2 PRO 11 16.893 65.596 97.232 74 2HG PRO 11 HG1 PRO 11 15.133 65.791 97.290 75 1HD PRO 11 HD2 PRO 11 16.510 63.342 97.473 76 2HD PRO 11 HD1 PRO 11 14.776 63.537 97.133 77 H ASN 12 HN ASN 12 18.150 62.932 95.356 78 HA ASN 12 HA ASN 12 20.423 64.548 94.508 79 1HB ASN 12 HB2 ASN 12 20.133 61.825 95.779 80 2HB ASN 12 HB1 ASN 12 21.703 62.422 95.239 81 1HD2 ASN 12 HD22 ASN 12 21.527 65.238 97.629 82 2HD2 ASN 12 HD21 ASN 12 21.792 65.039 95.965 83 H ALA 13 HN ALA 13 19.699 61.111 93.733 84 HA ALA 13 HA ALA 13 21.333 61.007 91.431 85 1HB ALA 13 HB2 ALA 13 19.297 59.353 92.646 86 2HB ALA 13 HB1 ALA 13 19.087 59.373 90.896 87 3HB ALA 13 HB3 ALA 13 20.627 58.872 91.593 88 H VAL 14 HN VAL 14 20.590 60.994 89.114 89 HA VAL 14 HA VAL 14 18.505 63.099 88.724 90 HB VAL 14 HB VAL 14 20.942 62.338 87.103 91 1HG1 VAL 14 HG12 VAL 14 18.485 63.898 86.331 92 2HG1 VAL 14 HG11 VAL 14 20.052 64.315 85.638 93 3HG1 VAL 14 HG13 VAL 14 19.379 62.704 85.391 94 1HG2 VAL 14 HG22 VAL 14 19.978 64.857 88.490 95 2HG2 VAL 14 HG21 VAL 14 21.391 63.889 88.905 96 3HG2 VAL 14 HG23 VAL 14 21.367 64.815 87.405 97 H GLY 15 HN GLY 15 16.610 62.298 88.012 98 1HA GLY 15 HA2 GLY 15 15.386 61.280 86.131 99 2HA GLY 15 HA1 GLY 15 16.673 60.076 86.016 100 H ASN 16 HN ASN 16 16.931 59.493 88.797 101 HA ASN 16 HA ASN 16 16.044 57.796 90.181 102 1HB ASN 16 HB2 ASN 16 13.973 59.996 90.127 103 2HB ASN 16 HB1 ASN 16 13.814 58.598 91.189 104 1HD2 ASN 16 HD22 ASN 16 16.984 61.145 91.860 105 2HD2 ASN 16 HD21 ASN 16 16.424 60.927 90.272 106 H CYS 17 HN CYS 17 15.403 57.460 87.249 107 HA CYS 17 HA CYS 17 12.892 55.885 87.625 108 1HB CYS 17 HB2 CYS 17 12.184 56.433 85.413 109 2HB CYS 17 HB1 CYS 17 12.695 57.949 86.153 110 H ASN 18 HN ASN 18 12.712 54.142 85.818 111 HA ASN 18 HA ASN 18 15.026 52.416 86.004 112 1HB ASN 18 HB2 ASN 18 12.972 51.949 83.871 113 2HB ASN 18 HB1 ASN 18 13.730 50.787 84.944 114 1HD2 ASN 18 HD22 ASN 18 11.079 50.899 87.259 115 2HD2 ASN 18 HD21 ASN 18 12.494 50.124 86.730 116 H ARG 19 HN ARG 19 16.812 52.457 84.671 117 HA ARG 19 HA ARG 19 17.170 54.440 82.678 118 1HB ARG 19 HB2 ARG 19 18.704 52.320 83.823 119 2HB ARG 19 HB1 ARG 19 18.848 52.216 82.067 120 1HG ARG 19 HG2 ARG 19 19.935 54.223 81.898 121 2HG ARG 19 HG1 ARG 19 19.029 54.941 83.230 122 1HD ARG 19 HD2 ARG 19 20.462 52.972 84.512 123 2HD ARG 19 HD1 ARG 19 21.597 53.508 83.273 124 HE ARG 19 HE ARG 19 21.902 55.429 84.580 125 1HH1 ARG 19 HH21 ARG 19 19.784 53.798 86.414 126 2HH1 ARG 19 HH22 ARG 19 18.833 55.151 86.929 127 1HH2 ARG 19 HH11 ARG 19 20.224 57.343 84.631 128 2HH2 ARG 19 HH12 ARG 19 19.083 57.159 85.920 129 H LEU 20 HN LEU 20 15.589 51.350 82.453 130 HA LEU 20 HA LEU 20 15.679 51.556 79.475 131 1HB LEU 20 HB2 LEU 20 14.910 49.162 79.509 132 2HB LEU 20 HB1 LEU 20 16.501 49.427 80.220 133 HG LEU 20 HG LEU 20 14.651 49.774 82.322 134 1HD1 LEU 20 HD12 LEU 20 13.502 48.134 80.326 135 2HD1 LEU 20 HD11 LEU 20 14.064 47.045 81.595 136 3HD1 LEU 20 HD13 LEU 20 12.943 48.348 81.985 137 1HD2 LEU 20 HD23 LEU 20 17.031 48.438 81.781 138 2HD2 LEU 20 HD22 LEU 20 16.177 48.439 83.326 139 3HD2 LEU 20 HD21 LEU 20 15.903 47.138 82.168 140 H THR 21 HN THR 21 13.329 51.020 82.146 141 HA THR 21 HA THR 21 11.099 51.110 80.248 142 HB THR 21 HB THR 21 10.057 51.454 82.814 143 HG1 THR 21 HG1 THR 21 11.506 49.444 83.543 144 1HG2 THR 21 HG22 THR 21 9.549 49.833 80.837 145 2HG2 THR 21 HG21 THR 21 10.670 48.747 81.656 146 3HG2 THR 21 HG23 THR 21 9.211 49.294 82.481 147 H GLY 22 HN GLY 22 12.677 53.344 82.498 148 1HA GLY 22 HA2 GLY 22 12.526 55.707 82.521 149 2HA GLY 22 HA1 GLY 22 11.420 55.607 81.149 150 H GLU 23 HN GLU 23 11.469 54.781 84.652 151 HA GLU 23 HA GLU 23 8.957 56.218 85.066 152 1HB GLU 23 HB2 GLU 23 8.951 53.396 84.447 153 2HB GLU 23 HB1 GLU 23 8.403 53.634 86.106 154 1HG GLU 23 HG2 GLU 23 6.393 53.970 85.046 155 2HG GLU 23 HG1 GLU 23 7.018 55.614 84.927 156 H CYS 24 HN CYS 24 8.427 56.283 87.429 157 HA CYS 24 HA CYS 24 10.614 56.711 89.112 158 1HB CYS 24 HB2 CYS 24 7.866 55.691 89.904 159 2HB CYS 24 HB1 CYS 24 9.034 56.420 91.006 160 H LEU 25 HN LEU 25 12.214 55.268 89.507 161 HA LEU 25 HA LEU 25 11.422 52.462 90.184 162 1HB LEU 25 HB2 LEU 25 12.398 52.469 87.995 163 2HB LEU 25 HB1 LEU 25 13.727 53.493 88.516 164 HG LEU 25 HG LEU 25 14.576 51.698 89.911 165 1HD1 LEU 25 HD11 LEU 25 12.153 50.206 88.870 166 2HD1 LEU 25 HD13 LEU 25 13.483 49.435 89.733 167 3HD1 LEU 25 HD12 LEU 25 12.478 50.631 90.551 168 1HD2 LEU 25 HD23 LEU 25 14.012 51.179 87.025 169 2HD2 LEU 25 HD22 LEU 25 15.551 51.518 87.819 170 3HD2 LEU 25 HD21 LEU 25 14.807 49.926 87.979 171 H LYS 26 HN LYS 26 12.468 55.167 91.621 172 HA LYS 26 HA LYS 26 14.392 53.663 93.357 173 1HB LYS 26 HB2 LYS 26 14.555 56.375 92.153 174 2HB LYS 26 HB1 LYS 26 15.174 56.187 93.791 175 1HG LYS 26 HG2 LYS 26 17.032 55.727 92.382 176 2HG LYS 26 HG1 LYS 26 16.453 54.146 92.906 177 1HD LYS 26 HD2 LYS 26 14.937 54.571 90.658 178 2HD LYS 26 HD1 LYS 26 16.460 55.342 90.215 179 1HE LYS 26 HE2 LYS 26 16.483 52.622 91.491 180 2HE LYS 26 HE1 LYS 26 16.150 52.780 89.766 181 1HZ LYS 26 HZ2 LYS 26 18.234 54.266 89.786 182 2HZ LYS 26 HZ1 LYS 26 18.591 53.487 91.253 183 3HZ LYS 26 HZ3 LYS 26 18.431 52.579 89.830 184 H CYS 27 HN CYS 27 11.927 53.382 94.323 185 HA CYS 27 HA CYS 27 10.788 55.537 95.790 186 1HB CYS 27 HB2 CYS 27 10.854 52.555 96.342 187 2HB CYS 27 HB1 CYS 27 9.936 53.689 97.331 188 H ILE 28 HN ILE 28 11.234 56.294 97.959 189 HA ILE 28 HA ILE 28 13.915 55.398 98.910 190 HB ILE 28 HB ILE 28 13.464 57.742 100.259 191 1HG1 ILE 28 HG12 ILE 28 13.019 59.227 98.130 192 2HG1 ILE 28 HG11 ILE 28 12.077 57.842 97.618 193 1HG2 ILE 28 HG22 ILE 28 15.313 56.685 98.506 194 2HG2 ILE 28 HG21 ILE 28 14.718 58.090 97.624 195 3HG2 ILE 28 HG23 ILE 28 15.413 58.290 99.231 196 1HD1 ILE 28 HD12 ILE 28 11.698 58.750 100.407 197 2HD1 ILE 28 HD11 ILE 28 11.087 59.817 99.143 198 3HD1 ILE 28 HD13 ILE 28 10.510 58.154 99.248 199 H TYR 29 HN TYR 29 11.035 56.796 100.458 200 HA TYR 29 HA TYR 29 11.733 55.716 103.041 201 1HB TYR 29 HB2 TYR 29 9.081 56.794 102.058 202 2HB TYR 29 HB1 TYR 29 9.478 56.461 103.743 203 HD1 TYR 29 HD2 TYR 29 11.868 57.528 104.485 204 HD2 TYR 29 HD1 TYR 29 9.307 58.970 101.355 205 HE1 TYR 29 HE2 TYR 29 12.927 59.765 104.638 206 HE2 TYR 29 HE1 TYR 29 10.362 61.204 101.505 207 HH TYR 29 HH TYR 29 11.671 62.476 103.571 208 H ASN 30 HN ASN 30 11.957 53.372 102.100 209 HA ASN 30 HA ASN 30 11.045 51.223 101.694 210 1HB ASN 30 HB2 ASN 30 9.449 50.842 103.872 211 2HB ASN 30 HB1 ASN 30 11.209 50.764 103.916 212 1HD2 ASN 30 HD21 ASN 30 8.480 52.443 105.187 213 2HD2 ASN 30 HD22 ASN 30 9.327 53.710 105.935 214 H THR 31 HN THR 31 9.712 52.399 99.898 215 HA THR 31 HA THR 31 6.811 51.894 100.491 216 HB THR 31 HB THR 31 6.469 53.554 98.522 217 HG1 THR 31 HG1 THR 31 9.031 54.369 99.405 218 1HG2 THR 31 HG23 THR 31 7.262 54.134 101.342 219 2HG2 THR 31 HG22 THR 31 7.046 55.498 100.245 220 3HG2 THR 31 HG21 THR 31 5.713 54.382 100.539 221 H ALA 32 HN ALA 32 5.575 51.066 98.620 222 HA ALA 32 HA ALA 32 7.348 49.559 96.735 223 1HB ALA 32 HB1 ALA 32 6.177 48.104 98.364 224 2HB ALA 32 HB3 ALA 32 4.631 48.750 97.813 225 3HB ALA 32 HB2 ALA 32 5.632 47.801 96.713 226 H GLY 33 HN GLY 33 5.625 48.693 94.877 227 1HA GLY 33 HA2 GLY 33 4.063 49.330 93.197 228 2HA GLY 33 HA1 GLY 33 3.851 50.879 94.010 229 H PHE 34 HN PHE 34 4.441 50.270 91.160 230 HA PHE 34 HA PHE 34 7.113 50.798 90.451 231 1HB PHE 34 HB2 PHE 34 4.785 50.452 89.048 232 2HB PHE 34 HB1 PHE 34 5.042 52.176 88.808 233 HD1 PHE 34 HD1 PHE 34 7.849 52.573 88.522 234 HD2 PHE 34 HD2 PHE 34 5.501 49.231 87.182 235 HE1 PHE 34 HE1 PHE 34 9.551 52.069 86.797 236 HE2 PHE 34 HE2 PHE 34 7.206 48.730 85.459 237 HZ PHE 34 HZ PHE 34 9.229 50.148 85.264 238 H TYR 35 HN TYR 35 4.593 53.069 91.519 239 HA TYR 35 HA TYR 35 6.639 55.247 91.354 240 1HB TYR 35 HB2 TYR 35 3.694 55.184 90.872 241 2HB TYR 35 HB1 TYR 35 4.354 56.629 91.638 242 HD1 TYR 35 HD1 TYR 35 5.671 54.305 89.003 243 HD2 TYR 35 HD2 TYR 35 4.598 58.328 90.059 244 HE1 TYR 35 HE1 TYR 35 6.482 55.100 86.800 245 HE2 TYR 35 HE2 TYR 35 5.409 59.123 87.854 246 HH TYR 35 HH TYR 35 5.701 57.613 85.354 247 H CYS 36 HN CYS 36 6.449 53.361 93.555 248 HA CYS 36 HA CYS 36 6.274 53.354 95.902 249 1HB CYS 36 HB2 CYS 36 6.322 56.366 95.724 250 2HB CYS 36 HB1 CYS 36 7.014 55.330 96.973 251 H ASP 37 HN ASP 37 3.842 53.024 94.730 252 HA ASP 37 HA ASP 37 1.975 55.019 95.863 253 1HB ASP 37 HB2 ASP 37 1.761 52.746 93.927 254 2HB ASP 37 HB1 ASP 37 0.308 53.265 94.781 255 H ARG 38 HN ARG 38 3.498 52.205 96.925 256 HA ARG 38 HA ARG 38 1.325 51.790 98.920 257 1HB ARG 38 HB2 ARG 38 2.046 49.953 96.974 258 2HB ARG 38 HB1 ARG 38 2.954 49.417 98.389 259 1HG ARG 38 HG2 ARG 38 0.874 48.325 98.618 260 2HG ARG 38 HG1 ARG 38 0.730 49.725 99.681 261 1HD ARG 38 HD2 ARG 38 -1.196 50.116 98.534 262 2HD ARG 38 HD1 ARG 38 -0.121 50.777 97.302 263 HE ARG 38 HE ARG 38 -0.280 48.628 96.112 264 1HH1 ARG 38 HH21 ARG 38 -0.994 46.367 97.141 265 2HH1 ARG 38 HH22 ARG 38 -2.704 46.328 97.413 266 1HH2 ARG 38 HH11 ARG 38 -3.084 49.768 97.190 267 2HH2 ARG 38 HH12 ARG 38 -3.887 48.254 97.441 268 H CYS 39 HN CYS 39 2.570 50.002 100.521 269 HA CYS 39 HA CYS 39 5.036 51.416 101.458 270 1HB CYS 39 HB2 CYS 39 2.581 50.445 102.888 271 2HB CYS 39 HB1 CYS 39 4.094 50.452 103.775 272 H LYS 40 HN LYS 40 6.818 50.011 101.900 273 HA LYS 40 HA LYS 40 6.842 47.419 100.801 274 1HB LYS 40 HB2 LYS 40 8.965 48.323 101.202 275 2HB LYS 40 HB1 LYS 40 8.548 48.830 102.837 276 1HG LYS 40 HG2 LYS 40 8.527 46.489 103.579 277 2HG LYS 40 HG1 LYS 40 8.891 45.952 101.939 278 1HD LYS 40 HD2 LYS 40 10.952 47.551 102.151 279 2HD LYS 40 HD1 LYS 40 10.658 47.414 103.884 280 1HE LYS 40 HE2 LYS 40 11.665 45.404 103.908 281 2HE LYS 40 HE1 LYS 40 10.492 44.795 102.740 282 1HZ LYS 40 HZ1 LYS 40 12.727 46.477 101.829 283 2HZ LYS 40 HZ3 LYS 40 12.991 44.830 102.136 284 3HZ LYS 40 HZ2 LYS 40 11.847 45.302 100.973 285 H GLU 41 HN GLU 41 6.682 45.337 101.729 286 HA GLU 41 HA GLU 41 4.618 44.923 103.635 287 1HB GLU 41 HB2 GLU 41 5.979 43.321 101.896 288 2HB GLU 41 HB1 GLU 41 6.665 42.795 103.434 289 1HG GLU 41 HG2 GLU 41 3.797 43.127 103.668 290 2HG GLU 41 HG1 GLU 41 4.187 42.026 102.345 291 H GLY 42 HN GLY 42 4.658 45.086 105.848 292 1HA GLY 42 HA2 GLY 42 5.921 44.299 107.912 293 2HA GLY 42 HA1 GLY 42 7.343 45.052 107.172 294 H PHE 43 HN PHE 43 5.853 47.232 106.021 295 HA PHE 43 HA PHE 43 4.976 48.666 108.470 296 1HB PHE 43 HB2 PHE 43 6.460 50.021 106.230 297 2HB PHE 43 HB1 PHE 43 6.085 50.628 107.842 298 HD1 PHE 43 HD2 PHE 43 7.057 49.239 109.848 299 HD2 PHE 43 HD1 PHE 43 8.559 49.046 105.827 300 HE1 PHE 43 HE2 PHE 43 9.204 48.330 110.695 301 HE2 PHE 43 HE1 PHE 43 10.705 48.136 106.675 302 HZ PHE 43 HZ PHE 43 11.029 47.779 109.107 303 H PHE 44 HN PHE 44 3.106 49.573 108.244 304 HA PHE 44 HA PHE 44 1.895 49.841 105.524 305 1HB PHE 44 HB2 PHE 44 0.119 49.926 107.904 306 2HB PHE 44 HB1 PHE 44 -0.126 49.138 106.348 307 HD1 PHE 44 HD2 PHE 44 1.364 47.044 105.853 308 HD2 PHE 44 HD1 PHE 44 0.692 48.652 109.778 309 HE1 PHE 44 HE2 PHE 44 2.021 44.872 106.855 310 HE2 PHE 44 HE1 PHE 44 1.347 46.481 110.781 311 HZ PHE 44 HZ PHE 44 2.012 44.591 109.320 312 H GLY 45 HN GLY 45 0.003 51.640 105.713 313 1HA GLY 45 HA2 GLY 45 -0.272 53.781 107.237 314 2HA GLY 45 HA1 GLY 45 1.398 54.051 106.756 315 H ASN 46 HN ASN 46 1.035 55.900 105.567 316 HA ASN 46 HA ASN 46 -0.484 55.511 103.017 317 1HB ASN 46 HB2 ASN 46 -0.765 57.643 105.076 318 2HB ASN 46 HB1 ASN 46 -0.805 58.161 103.390 319 1HD2 ASN 46 HD22 ASN 46 -4.151 57.154 103.059 320 2HD2 ASN 46 HD21 ASN 46 -2.916 58.238 102.630 321 HA PRO 47 HA PRO 47 3.701 56.773 101.903 322 1HB PRO 47 HB2 PRO 47 3.504 55.903 99.301 323 2HB PRO 47 HB1 PRO 47 3.932 54.862 100.667 324 1HG PRO 47 HG2 PRO 47 1.342 55.051 99.189 325 2HG PRO 47 HG1 PRO 47 2.058 53.664 100.029 326 1HD PRO 47 HD2 PRO 47 -0.004 55.276 101.041 327 2HD PRO 47 HD1 PRO 47 1.017 54.192 102.011 328 H LEU 48 HN LEU 48 0.737 58.061 101.134 329 HA LEU 48 HA LEU 48 1.988 60.102 99.332 330 1HB LEU 48 HB2 LEU 48 -0.291 58.567 98.874 331 2HB LEU 48 HB1 LEU 48 -0.932 60.121 99.411 332 HG LEU 48 HG LEU 48 -0.561 60.013 96.933 333 1HD1 LEU 48 HD13 LEU 48 1.208 61.959 98.447 334 2HD1 LEU 48 HD12 LEU 48 0.637 62.170 96.792 335 3HD1 LEU 48 HD11 LEU 48 -0.514 62.172 98.128 336 1HD2 LEU 48 HD22 LEU 48 1.630 58.601 97.410 337 2HD2 LEU 48 HD21 LEU 48 1.546 59.667 96.007 338 3HD2 LEU 48 HD23 LEU 48 2.385 60.193 97.467 339 H ALA 49 HN ALA 49 2.286 60.235 102.162 340 HA ALA 49 HA ALA 49 0.374 62.401 102.914 341 1HB ALA 49 HB1 ALA 49 2.151 60.672 104.664 342 2HB ALA 49 HB3 ALA 49 1.052 61.921 105.247 343 3HB ALA 49 HB2 ALA 49 0.410 60.479 104.460 344 HA PRO 50 HA PRO 50 3.708 65.269 102.822 345 1HB PRO 50 HB2 PRO 50 2.850 67.049 104.735 346 2HB PRO 50 HB1 PRO 50 2.146 66.938 103.113 347 1HG PRO 50 HG2 PRO 50 1.032 65.986 105.712 348 2HG PRO 50 HG1 PRO 50 0.181 66.489 104.242 349 1HD PRO 50 HD2 PRO 50 0.609 63.821 105.064 350 2HD PRO 50 HD1 PRO 50 0.094 64.345 103.446 351 H ASN 51 HN ASN 51 2.978 63.470 105.660 352 HA ASN 51 HA ASN 51 5.399 64.471 107.069 353 1HB ASN 51 HB2 ASN 51 3.074 62.748 107.936 354 2HB ASN 51 HB1 ASN 51 4.516 62.954 108.928 355 1HD2 ASN 51 HD22 ASN 51 3.240 66.699 108.384 356 2HD2 ASN 51 HD21 ASN 51 4.125 65.834 107.225 357 HA PRO 52 HA PRO 52 7.507 60.831 105.597 358 1HB PRO 52 HB2 PRO 52 9.813 61.219 107.043 359 2HB PRO 52 HB1 PRO 52 9.430 62.094 105.551 360 1HG PRO 52 HG2 PRO 52 9.335 63.062 108.372 361 2HG PRO 52 HG1 PRO 52 9.609 63.974 106.878 362 1HD PRO 52 HD2 PRO 52 7.178 63.877 108.314 363 2HD PRO 52 HD1 PRO 52 7.382 64.455 106.644 364 H ALA 53 HN ALA 53 6.802 61.558 108.959 365 HA ALA 53 HA ALA 53 7.667 58.869 109.843 366 1HB ALA 53 HB1 ALA 53 6.937 61.422 111.153 367 2HB ALA 53 HB3 ALA 53 6.425 59.967 112.009 368 3HB ALA 53 HB2 ALA 53 8.129 60.213 111.629 369 H ASP 54 HN ASP 54 4.923 60.288 108.491 370 HA ASP 54 HA ASP 54 3.107 58.338 109.835 371 1HB ASP 54 HB2 ASP 54 2.673 60.948 108.412 372 2HB ASP 54 HB1 ASP 54 1.361 59.772 108.484 373 H LYS 55 HN LYS 55 4.792 58.931 106.905 374 HA LYS 55 HA LYS 55 3.011 57.772 105.030 375 1HB LYS 55 HB2 LYS 55 6.015 57.945 105.115 376 2HB LYS 55 HB1 LYS 55 5.183 57.129 103.789 377 1HG LYS 55 HG2 LYS 55 3.733 59.348 103.768 378 2HG LYS 55 HG1 LYS 55 5.175 60.030 104.521 379 1HD LYS 55 HD2 LYS 55 5.809 58.302 102.249 380 2HD LYS 55 HD1 LYS 55 4.793 59.670 101.794 381 1HE LYS 55 HE2 LYS 55 7.028 60.304 103.632 382 2HE LYS 55 HE1 LYS 55 7.501 59.816 102.004 383 1HZ LYS 55 HZ3 LYS 55 5.536 61.947 102.650 384 2HZ LYS 55 HZ2 LYS 55 7.146 62.210 102.175 385 3HZ LYS 55 HZ1 LYS 55 6.045 61.497 101.096 386 H CYS 56 HN CYS 56 5.826 55.759 105.149 387 HA CYS 56 HA CYS 56 4.072 53.463 105.805 388 1HB CYS 56 HB2 CYS 56 6.944 53.533 104.817 389 2HB CYS 56 HB1 CYS 56 5.956 52.085 104.997 390 H LYS 57 HN LYS 57 4.502 52.102 107.586 391 HA LYS 57 HA LYS 57 6.778 52.031 109.208 392 1HB LYS 57 HB2 LYS 57 5.106 54.423 109.660 393 2HB LYS 57 HB1 LYS 57 5.491 53.513 111.121 394 1HG LYS 57 HG2 LYS 57 7.642 54.194 111.083 395 2HG LYS 57 HG1 LYS 57 7.811 53.773 109.378 396 1HD LYS 57 HD2 LYS 57 6.208 55.994 109.233 397 2HD LYS 57 HD1 LYS 57 7.229 56.385 110.618 398 1HE LYS 57 HE2 LYS 57 8.624 55.223 108.271 399 2HE LYS 57 HE1 LYS 57 7.978 56.851 108.056 400 1HZ LYS 57 HZ1 LYS 57 9.072 57.260 110.346 401 2HZ LYS 57 HZ3 LYS 57 10.005 55.896 109.962 402 3HZ LYS 57 HZ2 LYS 57 10.040 57.259 108.949 403 H ALA 58 HN ALA 58 6.175 51.235 111.526 404 HA ALA 58 HA ALA 58 4.252 49.103 111.232 405 1HB ALA 58 HB3 ALA 58 6.381 49.580 112.907 406 2HB ALA 58 HB2 ALA 58 5.010 49.831 113.987 407 3HB ALA 58 HB1 ALA 58 5.194 48.296 113.138 No H/Q in entry = 407 Start of MODEL 4 1 1H ARG 1 HT1 ARG 1 8.746 66.224 82.238 2 2H ARG 1 HT3 ARG 1 10.285 66.673 81.686 3 3H ARG 1 HT2 ARG 1 9.079 66.236 80.573 4 HA ARG 1 HA ARG 1 9.646 64.119 80.683 5 1HB ARG 1 HB2 ARG 1 11.720 65.231 82.587 6 2HB ARG 1 HB1 ARG 1 11.734 63.566 82.005 7 1HG ARG 1 HG2 ARG 1 11.483 64.802 79.643 8 2HG ARG 1 HG1 ARG 1 12.295 66.094 80.527 9 1HD ARG 1 HD2 ARG 1 14.182 64.968 79.902 10 2HD ARG 1 HD1 ARG 1 13.794 63.971 81.305 11 HE ARG 1 HE ARG 1 12.581 63.128 78.750 12 1HH1 ARG 1 HH11 ARG 1 13.655 61.891 81.555 13 2HH1 ARG 1 HH12 ARG 1 14.730 60.708 80.888 14 1HH2 ARG 1 HH21 ARG 1 14.570 61.993 77.670 15 2HH2 ARG 1 HH22 ARG 1 15.246 60.764 78.687 16 HA PRO 2 HA PRO 2 7.399 62.529 84.151 17 1HB PRO 2 HB2 PRO 2 7.594 59.865 83.492 18 2HB PRO 2 HB1 PRO 2 6.482 60.991 82.696 19 1HG PRO 2 HG2 PRO 2 9.060 59.867 81.682 20 2HG PRO 2 HG1 PRO 2 7.628 60.385 80.777 21 1HD PRO 2 HD2 PRO 2 9.997 61.877 81.055 22 2HD PRO 2 HD1 PRO 2 8.422 62.520 80.536 23 H CYS 3 HN CYS 3 9.395 59.698 83.760 24 HA CYS 3 HA CYS 3 10.685 58.621 85.434 25 1HB CYS 3 HB2 CYS 3 12.367 59.680 84.069 26 2HB CYS 3 HB1 CYS 3 12.117 61.230 84.874 27 H GLN 4 HN GLN 4 11.645 61.764 86.631 28 HA GLN 4 HA GLN 4 11.485 61.289 89.325 29 1HB GLN 4 HB2 GLN 4 11.985 63.503 87.904 30 2HB GLN 4 HB1 GLN 4 10.356 63.908 88.446 31 1HG GLN 4 HG2 GLN 4 10.960 63.777 90.732 32 2HG GLN 4 HG1 GLN 4 12.453 62.908 90.373 33 1HE2 GLN 4 HE22 GLN 4 12.413 66.908 89.382 34 2HE2 GLN 4 HE21 GLN 4 11.015 65.983 89.122 35 H CYS 5 HN CYS 5 9.873 60.436 90.522 36 HA CYS 5 HA CYS 5 7.054 61.138 89.816 37 1HB CYS 5 HB2 CYS 5 6.393 59.050 90.832 38 2HB CYS 5 HB1 CYS 5 7.732 58.699 89.738 39 H ASN 6 HN ASN 6 6.332 59.955 92.544 40 HA ASN 6 HA ASN 6 6.056 62.337 94.008 41 1HB ASN 6 HB2 ASN 6 5.956 59.437 94.666 42 2HB ASN 6 HB1 ASN 6 6.164 60.542 96.026 43 1HD2 ASN 6 HD22 ASN 6 2.938 62.079 95.579 44 2HD2 ASN 6 HD21 ASN 6 4.511 62.389 96.134 45 H ASP 7 HN ASP 7 7.170 62.330 96.437 46 HA ASP 7 HA ASP 7 10.042 62.700 95.812 47 1HB ASP 7 HB2 ASP 7 8.125 63.799 97.743 48 2HB ASP 7 HB1 ASP 7 9.705 63.448 98.445 49 H ASN 8 HN ASN 8 10.202 60.183 95.717 50 HA ASN 8 HA ASN 8 11.116 59.290 98.402 51 1HB ASN 8 HB2 ASN 8 9.251 57.650 96.659 52 2HB ASN 8 HB1 ASN 8 9.958 57.136 98.190 53 1HD2 ASN 8 HD22 ASN 8 6.512 59.061 98.354 54 2HD2 ASN 8 HD21 ASN 8 7.090 58.187 97.018 55 H ILE 9 HN ILE 9 13.044 59.933 96.811 56 HA ILE 9 HA ILE 9 14.123 57.375 95.797 57 HB ILE 9 HB ILE 9 14.849 58.543 93.664 58 1HG1 ILE 9 HG12 ILE 9 12.615 60.423 93.772 59 2HG1 ILE 9 HG11 ILE 9 13.845 60.782 94.984 60 1HG2 ILE 9 HG23 ILE 9 12.751 57.007 94.071 61 2HG2 ILE 9 HG22 ILE 9 11.851 58.500 93.801 62 3HG2 ILE 9 HG21 ILE 9 12.918 57.873 92.544 63 1HD1 ILE 9 HD13 ILE 9 15.548 60.464 93.059 64 2HD1 ILE 9 HD12 ILE 9 14.156 60.623 91.989 65 3HD1 ILE 9 HD11 ILE 9 14.592 61.947 93.068 66 H ASP 10 HN ASP 10 16.433 57.404 95.740 67 HA ASP 10 HA ASP 10 17.625 59.734 97.177 68 1HB ASP 10 HB2 ASP 10 18.046 56.814 97.289 69 2HB ASP 10 HB1 ASP 10 19.527 57.773 97.302 70 HA PRO 11 HA PRO 11 19.589 60.474 93.220 71 1HB PRO 11 HB2 PRO 11 20.853 62.776 94.019 72 2HB PRO 11 HB1 PRO 11 19.154 62.704 93.523 73 1HG PRO 11 HG2 PRO 11 20.304 62.953 96.267 74 2HG PRO 11 HG1 PRO 11 18.748 63.529 95.646 75 1HD PRO 11 HD2 PRO 11 19.117 61.225 97.216 76 2HD PRO 11 HD1 PRO 11 17.676 61.591 96.244 77 H ASN 12 HN ASN 12 20.969 59.586 96.132 78 HA ASN 12 HA ASN 12 23.771 60.005 95.430 79 1HB ASN 12 HB2 ASN 12 22.610 59.654 97.799 80 2HB ASN 12 HB1 ASN 12 22.943 57.957 97.450 81 1HD2 ASN 12 HD22 ASN 12 26.551 58.514 97.376 82 2HD2 ASN 12 HD21 ASN 12 25.356 57.674 96.511 83 H ALA 13 HN ALA 13 22.020 56.922 96.041 84 HA ALA 13 HA ALA 13 23.908 55.340 94.600 85 1HB ALA 13 HB1 ALA 13 21.381 54.934 95.945 86 2HB ALA 13 HB3 ALA 13 21.402 54.051 94.418 87 3HB ALA 13 HB2 ALA 13 22.662 53.764 95.620 88 H VAL 14 HN VAL 14 22.945 53.940 92.624 89 HA VAL 14 HA VAL 14 21.914 55.933 90.642 90 HB VAL 14 HB VAL 14 23.641 53.501 90.097 91 1HG1 VAL 14 HG12 VAL 14 22.039 55.100 88.414 92 2HG1 VAL 14 HG11 VAL 14 23.699 55.631 88.139 93 3HG1 VAL 14 HG13 VAL 14 23.267 53.935 87.919 94 1HG2 VAL 14 HG21 VAL 14 24.343 56.041 91.202 95 2HG2 VAL 14 HG23 VAL 14 25.423 54.740 90.697 96 3HG2 VAL 14 HG22 VAL 14 24.947 55.988 89.546 97 H GLY 15 HN GLY 15 20.320 55.180 89.141 98 1HA GLY 15 HA2 GLY 15 18.999 53.293 88.205 99 2HA GLY 15 HA1 GLY 15 19.174 52.493 89.772 100 H ASN 16 HN ASN 16 18.715 55.444 90.874 101 HA ASN 16 HA ASN 16 16.223 55.224 91.956 102 1HB ASN 16 HB2 ASN 16 17.814 57.550 91.012 103 2HB ASN 16 HB1 ASN 16 16.113 57.856 91.359 104 1HD2 ASN 16 HD22 ASN 16 18.109 56.207 94.537 105 2HD2 ASN 16 HD21 ASN 16 18.206 55.467 93.013 106 H CYS 17 HN CYS 17 16.885 55.925 88.574 107 HA CYS 17 HA CYS 17 13.931 55.928 88.083 108 1HB CYS 17 HB2 CYS 17 15.273 58.115 87.664 109 2HB CYS 17 HB1 CYS 17 15.912 57.268 86.256 110 H ASN 18 HN ASN 18 13.310 54.861 86.014 111 HA ASN 18 HA ASN 18 15.091 52.602 85.416 112 1HB ASN 18 HB2 ASN 18 12.626 53.198 83.799 113 2HB ASN 18 HB1 ASN 18 13.318 51.641 84.224 114 1HD2 ASN 18 HD22 ASN 18 10.577 51.541 86.492 115 2HD2 ASN 18 HD21 ASN 18 11.107 51.038 84.960 116 H ARG 19 HN ARG 19 16.698 52.813 83.937 117 HA ARG 19 HA ARG 19 17.040 55.140 82.325 118 1HB ARG 19 HB2 ARG 19 18.495 52.752 82.899 119 2HB ARG 19 HB1 ARG 19 18.450 52.956 81.147 120 1HG ARG 19 HG2 ARG 19 18.907 55.527 82.261 121 2HG ARG 19 HG1 ARG 19 20.006 54.413 83.076 122 1HD ARG 19 HD2 ARG 19 20.119 53.624 80.407 123 2HD ARG 19 HD1 ARG 19 20.060 55.385 80.323 124 HE ARG 19 HE ARG 19 21.969 54.466 82.306 125 1HH1 ARG 19 HH11 ARG 19 21.693 53.904 78.997 126 2HH1 ARG 19 HH12 ARG 19 23.216 54.610 78.575 127 1HH2 ARG 19 HH21 ARG 19 23.823 55.854 81.754 128 2HH2 ARG 19 HH22 ARG 19 24.421 55.715 80.134 129 H LEU 20 HN LEU 20 15.129 52.302 81.765 130 HA LEU 20 HA LEU 20 15.028 52.964 78.861 131 1HB LEU 20 HB2 LEU 20 13.791 50.701 78.746 132 2HB LEU 20 HB1 LEU 20 15.520 50.678 79.091 133 HG LEU 20 HG LEU 20 13.658 50.853 81.418 134 1HD1 LEU 20 HD11 LEU 20 14.105 48.385 79.723 135 2HD1 LEU 20 HD13 LEU 20 13.566 48.314 81.401 136 3HD1 LEU 20 HD12 LEU 20 12.564 49.106 80.187 137 1HD2 LEU 20 HD22 LEU 20 16.431 50.193 80.825 138 2HD2 LEU 20 HD21 LEU 20 15.687 50.588 82.376 139 3HD2 LEU 20 HD23 LEU 20 15.660 48.927 81.782 140 H THR 21 HN THR 21 12.813 52.466 81.658 141 HA THR 21 HA THR 21 10.543 53.255 79.938 142 HB THR 21 HB THR 21 9.324 52.994 82.240 143 HG1 THR 21 HG1 THR 21 11.629 51.442 82.731 144 1HG2 THR 21 HG22 THR 21 10.117 51.185 80.171 145 2HG2 THR 21 HG21 THR 21 10.153 50.321 81.709 146 3HG2 THR 21 HG23 THR 21 8.674 51.124 81.185 147 H GLY 22 HN GLY 22 12.491 54.593 82.583 148 1HA GLY 22 HA2 GLY 22 12.743 56.907 83.096 149 2HA GLY 22 HA1 GLY 22 11.466 57.272 81.934 150 H GLU 23 HN GLU 23 11.882 55.684 85.145 151 HA GLU 23 HA GLU 23 9.665 57.226 86.247 152 1HB GLU 23 HB2 GLU 23 8.883 55.009 84.857 153 2HB GLU 23 HB1 GLU 23 9.152 54.304 86.450 154 1HG GLU 23 HG2 GLU 23 6.800 55.134 86.078 155 2HG GLU 23 HG1 GLU 23 7.604 55.861 87.472 156 H CYS 24 HN CYS 24 9.332 56.488 88.641 157 HA CYS 24 HA CYS 24 11.896 56.253 89.899 158 1HB CYS 24 HB2 CYS 24 9.068 55.903 90.919 159 2HB CYS 24 HB1 CYS 24 10.473 55.755 91.973 160 H LEU 25 HN LEU 25 13.091 54.412 89.584 161 HA LEU 25 HA LEU 25 11.726 51.781 89.605 162 1HB LEU 25 HB2 LEU 25 13.756 52.760 88.040 163 2HB LEU 25 HB1 LEU 25 14.668 51.902 89.243 164 HG LEU 25 HG LEU 25 13.256 50.928 86.952 165 1HD1 LEU 25 HD12 LEU 25 15.251 50.033 88.921 166 2HD1 LEU 25 HD11 LEU 25 14.347 48.740 88.132 167 3HD1 LEU 25 HD13 LEU 25 15.255 49.900 87.162 168 1HD2 LEU 25 HD22 LEU 25 12.295 49.850 89.607 169 2HD2 LEU 25 HD21 LEU 25 11.319 50.445 88.265 170 3HD2 LEU 25 HD23 LEU 25 12.198 48.923 88.109 171 H LYS 26 HN LYS 26 12.597 53.661 92.025 172 HA LYS 26 HA LYS 26 13.310 51.420 93.764 173 1HB LYS 26 HB2 LYS 26 15.436 52.552 92.493 174 2HB LYS 26 HB1 LYS 26 15.356 53.530 93.961 175 1HG LYS 26 HG2 LYS 26 15.201 51.364 95.248 176 2HG LYS 26 HG1 LYS 26 15.626 50.535 93.755 177 1HD LYS 26 HD2 LYS 26 17.801 51.011 94.081 178 2HD LYS 26 HD1 LYS 26 17.430 52.734 94.161 179 1HE LYS 26 HE2 LYS 26 17.660 52.758 96.406 180 2HE LYS 26 HE1 LYS 26 16.592 51.366 96.586 181 1HZ LYS 26 HZ2 LYS 26 19.431 51.165 95.750 182 2HZ LYS 26 HZ1 LYS 26 18.907 50.992 97.357 183 3HZ LYS 26 HZ3 LYS 26 18.390 49.892 96.175 184 H CYS 27 HN CYS 27 11.151 52.619 94.533 185 HA CYS 27 HA CYS 27 11.243 55.197 95.709 186 1HB CYS 27 HB2 CYS 27 9.725 52.750 96.674 187 2HB CYS 27 HB1 CYS 27 9.386 54.412 97.153 188 H ILE 28 HN ILE 28 11.803 55.875 97.872 189 HA ILE 28 HA ILE 28 13.689 53.977 99.185 190 HB ILE 28 HB ILE 28 14.119 56.371 100.440 191 1HG1 ILE 28 HG12 ILE 28 13.878 57.057 97.522 192 2HG1 ILE 28 HG11 ILE 28 12.538 57.342 98.628 193 1HG2 ILE 28 HG22 ILE 28 15.379 54.795 98.264 194 2HG2 ILE 28 HG21 ILE 28 15.946 56.456 98.433 195 3HG2 ILE 28 HG23 ILE 28 16.059 55.342 99.796 196 1HD1 ILE 28 HD12 ILE 28 14.241 58.556 100.118 197 2HD1 ILE 28 HD11 ILE 28 15.306 58.534 98.713 198 3HD1 ILE 28 HD13 ILE 28 13.759 59.375 98.633 199 H TYR 29 HN TYR 29 11.580 56.572 100.364 200 HA TYR 29 HA TYR 29 11.526 55.779 103.043 201 1HB TYR 29 HB2 TYR 29 9.375 57.209 101.466 202 2HB TYR 29 HB1 TYR 29 9.458 57.137 103.227 203 HD1 TYR 29 HD2 TYR 29 11.411 58.149 104.429 204 HD2 TYR 29 HD1 TYR 29 10.794 58.674 100.211 205 HE1 TYR 29 HE2 TYR 29 13.000 60.054 104.434 206 HE2 TYR 29 HE1 TYR 29 12.383 60.578 100.216 207 HH TYR 29 HH TYR 29 13.797 61.787 101.418 208 H ASN 30 HN ASN 30 11.325 53.488 102.967 209 HA ASN 30 HA ASN 30 10.133 51.415 102.663 210 1HB ASN 30 HB2 ASN 30 8.910 53.087 104.856 211 2HB ASN 30 HB1 ASN 30 8.457 51.402 104.600 212 1HD2 ASN 30 HD22 ASN 30 11.842 52.170 106.595 213 2HD2 ASN 30 HD21 ASN 30 10.645 53.337 106.297 214 H THR 31 HN THR 31 9.218 52.822 100.533 215 HA THR 31 HA THR 31 6.252 52.393 100.713 216 HB THR 31 HB THR 31 6.083 54.108 98.866 217 HG1 THR 31 HG1 THR 31 8.754 54.638 99.656 218 1HG2 THR 31 HG21 THR 31 6.500 54.464 101.671 219 2HG2 THR 31 HG23 THR 31 7.224 55.831 100.826 220 3HG2 THR 31 HG22 THR 31 5.522 55.443 100.578 221 H ALA 32 HN ALA 32 5.260 51.547 98.760 222 HA ALA 32 HA ALA 32 7.214 50.208 96.931 223 1HB ALA 32 HB1 ALA 32 5.445 48.975 98.734 224 2HB ALA 32 HB3 ALA 32 4.693 48.794 97.149 225 3HB ALA 32 HB2 ALA 32 6.329 48.195 97.422 226 H GLY 33 HN GLY 33 5.287 49.113 95.198 227 1HA GLY 33 HA2 GLY 33 3.685 49.693 93.547 228 2HA GLY 33 HA1 GLY 33 3.498 51.267 94.316 229 H PHE 34 HN PHE 34 3.976 50.516 91.467 230 HA PHE 34 HA PHE 34 6.574 51.043 90.565 231 1HB PHE 34 HB2 PHE 34 4.410 50.500 89.220 232 2HB PHE 34 HB1 PHE 34 4.145 52.240 89.203 233 HD1 PHE 34 HD1 PHE 34 7.573 52.017 89.321 234 HD2 PHE 34 HD2 PHE 34 4.341 51.207 86.604 235 HE1 PHE 34 HE1 PHE 34 9.128 52.229 87.410 236 HE2 PHE 34 HE2 PHE 34 5.903 51.417 84.695 237 HZ PHE 34 HZ PHE 34 8.295 51.927 85.094 238 H TYR 35 HN TYR 35 4.198 53.324 91.873 239 HA TYR 35 HA TYR 35 6.229 55.491 91.491 240 1HB TYR 35 HB2 TYR 35 3.322 56.116 91.863 241 2HB TYR 35 HB1 TYR 35 4.560 57.026 90.997 242 HD1 TYR 35 HD1 TYR 35 5.724 55.457 89.046 243 HD2 TYR 35 HD2 TYR 35 1.693 55.171 90.502 244 HE1 TYR 35 HE1 TYR 35 5.034 54.376 86.923 245 HE2 TYR 35 HE2 TYR 35 1.002 54.091 88.379 246 HH TYR 35 HH TYR 35 2.766 54.176 85.616 247 H CYS 36 HN CYS 36 6.243 53.762 93.766 248 HA CYS 36 HA CYS 36 6.160 53.830 96.115 249 1HB CYS 36 HB2 CYS 36 6.124 56.830 95.884 250 2HB CYS 36 HB1 CYS 36 6.974 55.820 97.053 251 H ASP 37 HN ASP 37 3.581 53.925 94.627 252 HA ASP 37 HA ASP 37 1.873 55.644 96.324 253 1HB ASP 37 HB2 ASP 37 0.029 54.722 94.893 254 2HB ASP 37 HB1 ASP 37 1.297 55.523 93.964 255 H ARG 38 HN ARG 38 3.390 52.915 96.986 256 HA ARG 38 HA ARG 38 1.076 51.811 98.502 257 1HB ARG 38 HB2 ARG 38 2.416 50.514 96.412 258 2HB ARG 38 HB1 ARG 38 3.105 49.818 97.879 259 1HG ARG 38 HG2 ARG 38 1.195 48.712 98.367 260 2HG ARG 38 HG1 ARG 38 0.203 50.137 98.053 261 1HD ARG 38 HD2 ARG 38 -0.217 49.530 95.892 262 2HD ARG 38 HD1 ARG 38 1.403 48.873 95.658 263 HE ARG 38 HE ARG 38 0.638 46.770 96.526 264 1HH1 ARG 38 HH21 ARG 38 -1.601 49.269 97.219 265 2HH1 ARG 38 HH22 ARG 38 -2.976 48.216 97.276 266 1HH2 ARG 38 HH11 ARG 38 -1.184 45.392 96.356 267 2HH2 ARG 38 HH12 ARG 38 -2.739 46.020 96.791 268 H CYS 39 HN CYS 39 2.432 49.956 99.974 269 HA CYS 39 HA CYS 39 4.491 51.567 101.433 270 1HB CYS 39 HB2 CYS 39 2.190 49.892 102.427 271 2HB CYS 39 HB1 CYS 39 3.580 50.175 103.465 272 H LYS 40 HN LYS 40 6.458 50.504 101.622 273 HA LYS 40 HA LYS 40 6.960 48.029 100.353 274 1HB LYS 40 HB2 LYS 40 8.832 49.424 100.805 275 2HB LYS 40 HB1 LYS 40 8.423 49.549 102.514 276 1HG LYS 40 HG2 LYS 40 8.952 47.184 102.849 277 2HG LYS 40 HG1 LYS 40 9.290 46.997 101.127 278 1HD LYS 40 HD2 LYS 40 11.066 48.775 101.368 279 2HD LYS 40 HD1 LYS 40 10.808 48.709 103.112 280 1HE LYS 40 HE2 LYS 40 11.520 46.293 101.429 281 2HE LYS 40 HE1 LYS 40 12.706 47.262 102.305 282 1HZ LYS 40 HZ1 LYS 40 10.680 46.706 104.098 283 2HZ LYS 40 HZ3 LYS 40 10.984 45.246 103.287 284 3HZ LYS 40 HZ2 LYS 40 12.250 46.054 104.083 285 H GLU 41 HN GLU 41 7.040 45.912 101.113 286 HA GLU 41 HA GLU 41 5.232 45.127 103.157 287 1HB GLU 41 HB2 GLU 41 6.252 43.738 101.217 288 2HB GLU 41 HB1 GLU 41 7.590 43.441 102.327 289 1HG GLU 41 HG2 GLU 41 6.346 41.735 103.137 290 2HG GLU 41 HG1 GLU 41 5.354 42.978 103.901 291 H GLY 42 HN GLY 42 5.472 45.165 105.361 292 1HA GLY 42 HA2 GLY 42 7.019 44.415 107.239 293 2HA GLY 42 HA1 GLY 42 8.260 45.385 106.430 294 H PHE 43 HN PHE 43 6.360 47.428 105.598 295 HA PHE 43 HA PHE 43 5.529 48.542 108.214 296 1HB PHE 43 HB2 PHE 43 6.733 50.333 106.132 297 2HB PHE 43 HB1 PHE 43 6.486 50.612 107.858 298 HD1 PHE 43 HD2 PHE 43 8.276 48.235 105.563 299 HD2 PHE 43 HD1 PHE 43 8.339 50.398 109.275 300 HE1 PHE 43 HE2 PHE 43 10.566 47.396 106.014 301 HE2 PHE 43 HE1 PHE 43 10.630 49.560 109.724 302 HZ PHE 43 HZ PHE 43 11.742 48.058 108.093 303 H PHE 44 HN PHE 44 3.574 49.253 108.143 304 HA PHE 44 HA PHE 44 2.224 49.680 105.514 305 1HB PHE 44 HB2 PHE 44 0.738 49.351 108.107 306 2HB PHE 44 HB1 PHE 44 0.212 48.959 106.471 307 HD1 PHE 44 HD1 PHE 44 1.437 47.050 105.242 308 HD2 PHE 44 HD2 PHE 44 1.694 47.688 109.483 309 HE1 PHE 44 HE1 PHE 44 2.201 44.712 105.548 310 HE2 PHE 44 HE2 PHE 44 2.459 45.348 109.787 311 HZ PHE 44 HZ PHE 44 2.711 43.860 107.820 312 H GLY 45 HN GLY 45 0.208 51.314 106.000 313 1HA GLY 45 HA2 GLY 45 -0.144 53.318 107.636 314 2HA GLY 45 HA1 GLY 45 1.516 53.709 107.204 315 H ASN 46 HN ASN 46 1.138 55.608 106.131 316 HA ASN 46 HA ASN 46 -0.455 55.384 103.600 317 1HB ASN 46 HB2 ASN 46 -0.344 57.673 105.580 318 2HB ASN 46 HB1 ASN 46 -0.973 57.851 103.942 319 1HD2 ASN 46 HD22 ASN 46 -3.223 55.989 106.775 320 2HD2 ASN 46 HD21 ASN 46 -1.655 56.536 107.127 321 HA PRO 47 HA PRO 47 3.688 56.664 102.347 322 1HB PRO 47 HB2 PRO 47 3.483 55.610 99.823 323 2HB PRO 47 HB1 PRO 47 3.925 54.655 101.247 324 1HG PRO 47 HG2 PRO 47 1.361 54.682 99.738 325 2HG PRO 47 HG1 PRO 47 2.052 53.405 100.754 326 1HD PRO 47 HD2 PRO 47 -0.014 55.227 101.485 327 2HD PRO 47 HD1 PRO 47 0.834 54.101 102.563 328 H LEU 48 HN LEU 48 0.603 57.633 101.398 329 HA LEU 48 HA LEU 48 1.695 59.605 99.433 330 1HB LEU 48 HB2 LEU 48 -1.189 58.774 99.877 331 2HB LEU 48 HB1 LEU 48 -0.584 59.820 98.592 332 HG LEU 48 HG LEU 48 0.191 56.916 99.002 333 1HD1 LEU 48 HD12 LEU 48 -2.106 58.050 97.813 334 2HD1 LEU 48 HD11 LEU 48 -1.058 57.565 96.479 335 3HD1 LEU 48 HD13 LEU 48 -1.554 56.380 97.686 336 1HD2 LEU 48 HD22 LEU 48 1.509 59.044 97.652 337 2HD2 LEU 48 HD21 LEU 48 1.908 57.327 97.602 338 3HD2 LEU 48 HD23 LEU 48 0.801 58.009 96.411 339 H ALA 49 HN ALA 49 2.023 59.984 102.266 340 HA ALA 49 HA ALA 49 0.032 62.118 102.878 341 1HB ALA 49 HB3 ALA 49 2.028 60.662 104.638 342 2HB ALA 49 HB2 ALA 49 0.984 61.971 105.193 343 3HB ALA 49 HB1 ALA 49 0.277 60.453 104.641 344 HA PRO 50 HA PRO 50 3.086 65.198 102.198 345 1HB PRO 50 HB2 PRO 50 2.237 67.104 103.995 346 2HB PRO 50 HB1 PRO 50 1.424 66.782 102.454 347 1HG PRO 50 HG2 PRO 50 0.595 66.001 105.216 348 2HG PRO 50 HG1 PRO 50 -0.409 66.323 103.791 349 1HD PRO 50 HD2 PRO 50 0.241 63.770 104.772 350 2HD PRO 50 HD1 PRO 50 -0.381 64.120 103.145 351 H ASN 51 HN ASN 51 2.517 63.913 105.388 352 HA ASN 51 HA ASN 51 5.140 64.946 106.341 353 1HB ASN 51 HB2 ASN 51 2.717 64.757 107.634 354 2HB ASN 51 HB1 ASN 51 3.549 63.304 108.192 355 1HD2 ASN 51 HD22 ASN 51 5.033 66.988 109.229 356 2HD2 ASN 51 HD21 ASN 51 3.920 66.863 107.954 357 HA PRO 52 HA PRO 52 6.794 60.909 105.493 358 1HB PRO 52 HB2 PRO 52 9.200 61.279 106.776 359 2HB PRO 52 HB1 PRO 52 8.832 61.936 105.172 360 1HG PRO 52 HG2 PRO 52 8.964 63.353 107.799 361 2HG PRO 52 HG1 PRO 52 9.270 63.977 106.168 362 1HD PRO 52 HD2 PRO 52 6.910 64.391 107.651 363 2HD PRO 52 HD1 PRO 52 7.093 64.638 105.899 364 H ALA 53 HN ALA 53 6.294 62.250 108.686 365 HA ALA 53 HA ALA 53 7.123 59.881 110.156 366 1HB ALA 53 HB3 ALA 53 6.395 62.511 110.810 367 2HB ALA 53 HB2 ALA 53 5.140 61.501 111.528 368 3HB ALA 53 HB1 ALA 53 6.833 61.230 111.939 369 H ASP 54 HN ASP 54 4.338 60.763 108.348 370 HA ASP 54 HA ASP 54 2.725 58.630 109.674 371 1HB ASP 54 HB2 ASP 54 1.938 60.888 107.808 372 2HB ASP 54 HB1 ASP 54 0.825 59.632 108.350 373 H LYS 55 HN LYS 55 4.961 58.661 107.424 374 HA LYS 55 HA LYS 55 3.736 57.654 105.051 375 1HB LYS 55 HB2 LYS 55 6.196 58.445 105.560 376 2HB LYS 55 HB1 LYS 55 6.461 56.743 105.928 377 1HG LYS 55 HG2 LYS 55 6.941 56.827 103.636 378 2HG LYS 55 HG1 LYS 55 5.244 56.345 103.631 379 1HD LYS 55 HD2 LYS 55 4.636 58.244 102.579 380 2HD LYS 55 HD1 LYS 55 5.489 59.233 103.764 381 1HE LYS 55 HE2 LYS 55 7.091 57.754 101.709 382 2HE LYS 55 HE1 LYS 55 6.251 59.229 101.230 383 1HZ LYS 55 HZ1 LYS 55 7.646 59.456 103.733 384 2HZ LYS 55 HZ3 LYS 55 8.674 59.130 102.425 385 3HZ LYS 55 HZ2 LYS 55 7.657 60.490 102.385 386 H CYS 56 HN CYS 56 5.575 55.132 105.153 387 HA CYS 56 HA CYS 56 3.502 53.403 106.403 388 1HB CYS 56 HB2 CYS 56 5.815 52.495 104.676 389 2HB CYS 56 HB1 CYS 56 4.325 51.626 105.031 390 H LYS 57 HN LYS 57 4.030 53.154 108.567 391 HA LYS 57 HA LYS 57 6.885 52.552 109.217 392 1HB LYS 57 HB2 LYS 57 4.620 53.582 110.949 393 2HB LYS 57 HB1 LYS 57 6.212 53.138 111.565 394 1HG LYS 57 HG2 LYS 57 7.153 54.771 109.810 395 2HG LYS 57 HG1 LYS 57 5.503 55.376 109.669 396 1HD LYS 57 HD2 LYS 57 7.106 55.229 112.239 397 2HD LYS 57 HD1 LYS 57 6.792 56.696 111.312 398 1HE LYS 57 HE2 LYS 57 4.700 56.899 112.151 399 2HE LYS 57 HE1 LYS 57 4.351 55.189 111.897 400 1HZ LYS 57 HZ3 LYS 57 5.687 54.709 113.896 401 2HZ LYS 57 HZ2 LYS 57 5.858 56.379 114.163 402 3HZ LYS 57 HZ1 LYS 57 4.320 55.658 114.229 403 H ALA 58 HN ALA 58 6.705 51.221 111.548 404 HA ALA 58 HA ALA 58 5.402 48.684 110.735 405 1HB ALA 58 HB1 ALA 58 7.779 49.412 112.212 406 2HB ALA 58 HB3 ALA 58 6.768 48.341 113.182 407 3HB ALA 58 HB2 ALA 58 7.308 47.833 111.582 No H/Q in entry = 407 Start of MODEL 5 1 1H ARG 1 HT3 ARG 1 16.778 65.539 81.814 2 2H ARG 1 HT2 ARG 1 17.887 65.698 83.093 3 3H ARG 1 HT1 ARG 1 17.906 64.309 82.114 4 HA ARG 1 HA ARG 1 16.747 63.432 83.824 5 1HB ARG 1 HB2 ARG 1 15.892 66.290 84.320 6 2HB ARG 1 HB1 ARG 1 15.183 64.934 85.197 7 1HG ARG 1 HG2 ARG 1 17.545 64.237 85.815 8 2HG ARG 1 HG1 ARG 1 18.090 65.780 85.158 9 1HD ARG 1 HD2 ARG 1 16.118 66.683 86.744 10 2HD ARG 1 HD1 ARG 1 16.535 65.220 87.636 11 HE ARG 1 HE ARG 1 18.382 67.497 87.120 12 1HH1 ARG 1 HH21 ARG 1 19.413 64.551 87.350 13 2HH1 ARG 1 HH22 ARG 1 19.935 64.554 89.002 14 1HH2 ARG 1 HH11 ARG 1 18.266 67.486 89.803 15 2HH2 ARG 1 HH12 ARG 1 19.285 66.214 90.390 16 HA PRO 2 HA PRO 2 13.410 63.508 80.661 17 1HB PRO 2 HB2 PRO 2 13.765 60.890 79.904 18 2HB PRO 2 HB1 PRO 2 14.636 62.249 79.172 19 1HG PRO 2 HG2 PRO 2 15.630 60.199 81.096 20 2HG PRO 2 HG1 PRO 2 16.531 61.142 79.896 21 1HD PRO 2 HD2 PRO 2 16.433 61.655 82.682 22 2HD PRO 2 HD1 PRO 2 17.058 62.757 81.437 23 H CYS 3 HN CYS 3 13.928 62.187 83.654 24 HA CYS 3 HA CYS 3 11.139 61.215 83.795 25 1HB CYS 3 HB2 CYS 3 12.596 59.224 83.270 26 2HB CYS 3 HB1 CYS 3 13.441 59.513 84.790 27 H GLN 4 HN GLN 4 10.242 61.568 85.818 28 HA GLN 4 HA GLN 4 11.780 61.925 88.225 29 1HB GLN 4 HB2 GLN 4 11.180 64.410 88.462 30 2HB GLN 4 HB1 GLN 4 12.499 64.028 87.355 31 1HG GLN 4 HG2 GLN 4 10.127 63.839 85.832 32 2HG GLN 4 HG1 GLN 4 9.981 65.317 86.784 33 1HE2 GLN 4 HE22 GLN 4 11.887 66.143 83.670 34 2HE2 GLN 4 HE21 GLN 4 10.334 65.538 83.994 35 H CYS 5 HN CYS 5 10.381 61.847 89.991 36 HA CYS 5 HA CYS 5 7.491 62.338 89.481 37 1HB CYS 5 HB2 CYS 5 6.881 60.219 90.555 38 2HB CYS 5 HB1 CYS 5 7.911 59.910 89.157 39 H ASN 6 HN ASN 6 6.608 63.483 91.136 40 HA ASN 6 HA ASN 6 8.238 64.117 93.476 41 1HB ASN 6 HB2 ASN 6 5.442 64.879 92.601 42 2HB ASN 6 HB1 ASN 6 6.115 65.385 94.152 43 1HD2 ASN 6 HD22 ASN 6 8.706 67.400 92.502 44 2HD2 ASN 6 HD21 ASN 6 8.591 66.257 93.753 45 H ASP 7 HN ASP 7 8.398 61.894 94.331 46 HA ASP 7 HA ASP 7 6.164 61.321 96.166 47 1HB ASP 7 HB2 ASP 7 7.133 59.271 94.145 48 2HB ASP 7 HB1 ASP 7 5.974 58.968 95.439 49 H ASN 8 HN ASN 8 7.572 58.481 96.243 50 HA ASN 8 HA ASN 8 9.520 59.305 98.305 51 1HB ASN 8 HB2 ASN 8 8.330 56.667 97.444 52 2HB ASN 8 HB1 ASN 8 9.677 56.751 98.579 53 1HD2 ASN 8 HD22 ASN 8 7.578 58.660 100.973 54 2HD2 ASN 8 HD21 ASN 8 9.071 58.889 100.199 55 H ILE 9 HN ILE 9 10.969 60.250 96.608 56 HA ILE 9 HA ILE 9 12.875 58.158 95.706 57 HB ILE 9 HB ILE 9 13.152 59.400 93.532 58 1HG1 ILE 9 HG12 ILE 9 10.626 60.593 93.300 59 2HG1 ILE 9 HG11 ILE 9 11.233 61.123 94.868 60 1HG2 ILE 9 HG23 ILE 9 11.609 57.336 94.007 61 2HG2 ILE 9 HG22 ILE 9 10.296 58.492 93.780 62 3HG2 ILE 9 HG21 ILE 9 11.444 58.195 92.475 63 1HD1 ILE 9 HD11 ILE 9 13.342 61.852 93.805 64 2HD1 ILE 9 HD13 ILE 9 12.726 61.336 92.235 65 3HD1 ILE 9 HD12 ILE 9 11.954 62.672 93.090 66 H ASP 10 HN ASP 10 14.994 59.219 95.104 67 HA ASP 10 HA ASP 10 15.484 61.531 96.927 68 1HB ASP 10 HB2 ASP 10 17.770 60.084 95.678 69 2HB ASP 10 HB1 ASP 10 17.619 60.749 97.300 70 HA PRO 11 HA PRO 11 16.134 63.969 93.268 71 1HB PRO 11 HB2 PRO 11 17.106 66.198 94.550 72 2HB PRO 11 HB1 PRO 11 15.386 65.778 94.487 73 1HG PRO 11 HG2 PRO 11 17.303 65.513 96.762 74 2HG PRO 11 HG1 PRO 11 15.549 65.763 96.795 75 1HD PRO 11 HD2 PRO 11 16.850 63.306 97.243 76 2HD PRO 11 HD1 PRO 11 15.125 63.515 96.868 77 H ASN 12 HN ASN 12 18.632 63.293 95.656 78 HA ASN 12 HA ASN 12 20.811 64.405 94.066 79 1HB ASN 12 HB2 ASN 12 20.485 63.069 96.647 80 2HB ASN 12 HB1 ASN 12 21.945 62.558 95.799 81 1HD2 ASN 12 HD22 ASN 12 23.612 65.555 96.624 82 2HD2 ASN 12 HD21 ASN 12 23.714 63.900 96.259 83 H ALA 13 HN ALA 13 19.001 61.460 93.740 84 HA ALA 13 HA ALA 13 21.232 59.863 92.749 85 1HB ALA 13 HB2 ALA 13 18.616 59.329 93.575 86 2HB ALA 13 HB1 ALA 13 18.589 59.032 91.837 87 3HB ALA 13 HB3 ALA 13 19.739 58.171 92.861 88 H VAL 14 HN VAL 14 20.221 58.807 90.372 89 HA VAL 14 HA VAL 14 20.335 61.221 88.607 90 HB VAL 14 HB VAL 14 21.219 58.369 88.081 91 1HG1 VAL 14 HG13 VAL 14 20.270 59.502 86.074 92 2HG1 VAL 14 HG12 VAL 14 21.410 60.826 86.312 93 3HG1 VAL 14 HG11 VAL 14 22.002 59.212 85.922 94 1HG2 VAL 14 HG22 VAL 14 22.597 60.937 88.796 95 2HG2 VAL 14 HG21 VAL 14 22.928 59.300 89.362 96 3HG2 VAL 14 HG23 VAL 14 23.428 59.793 87.743 97 H GLY 15 HN GLY 15 17.967 61.437 88.717 98 1HA GLY 15 HA2 GLY 15 15.959 61.230 87.473 99 2HA GLY 15 HA1 GLY 15 16.676 59.864 86.618 100 H ASN 16 HN ASN 16 17.341 58.686 89.443 101 HA ASN 16 HA ASN 16 16.298 56.953 90.665 102 1HB ASN 16 HB2 ASN 16 14.042 58.973 90.808 103 2HB ASN 16 HB1 ASN 16 14.414 57.707 91.979 104 1HD2 ASN 16 HD22 ASN 16 16.880 61.004 91.823 105 2HD2 ASN 16 HD21 ASN 16 16.023 60.549 90.432 106 H CYS 17 HN CYS 17 15.732 57.132 87.692 107 HA CYS 17 HA CYS 17 13.175 55.592 87.712 108 1HB CYS 17 HB2 CYS 17 14.262 57.578 85.720 109 2HB CYS 17 HB1 CYS 17 13.067 56.372 85.247 110 H ASN 18 HN ASN 18 13.136 54.182 85.560 111 HA ASN 18 HA ASN 18 15.648 52.620 85.629 112 1HB ASN 18 HB2 ASN 18 13.613 51.777 83.672 113 2HB ASN 18 HB1 ASN 18 14.456 50.832 84.880 114 1HD2 ASN 18 HD22 ASN 18 11.590 50.715 86.916 115 2HD2 ASN 18 HD21 ASN 18 13.028 49.976 86.398 116 H ARG 19 HN ARG 19 17.244 52.982 84.190 117 HA ARG 19 HA ARG 19 17.088 55.010 82.205 118 1HB ARG 19 HB2 ARG 19 19.254 54.035 81.383 119 2HB ARG 19 HB1 ARG 19 19.229 54.366 83.115 120 1HG ARG 19 HG2 ARG 19 18.290 51.836 83.137 121 2HG ARG 19 HG1 ARG 19 19.288 51.760 81.685 122 1HD ARG 19 HD2 ARG 19 20.724 51.158 83.502 123 2HD ARG 19 HD1 ARG 19 21.154 52.812 83.069 124 HE ARG 19 HE ARG 19 19.137 52.639 85.181 125 1HH1 ARG 19 HH21 ARG 19 22.407 51.836 84.795 126 2HH1 ARG 19 HH22 ARG 19 22.964 52.783 86.133 127 1HH2 ARG 19 HH11 ARG 19 19.876 54.240 86.732 128 2HH2 ARG 19 HH12 ARG 19 21.532 54.143 87.231 129 H LEU 20 HN LEU 20 15.844 51.829 82.065 130 HA LEU 20 HA LEU 20 15.957 51.934 79.083 131 1HB LEU 20 HB2 LEU 20 15.581 49.529 79.068 132 2HB LEU 20 HB1 LEU 20 16.960 49.916 80.092 133 HG LEU 20 HG LEU 20 14.210 49.659 81.291 134 1HD1 LEU 20 HD13 LEU 20 15.562 47.591 79.902 135 2HD1 LEU 20 HD12 LEU 20 15.763 47.265 81.623 136 3HD1 LEU 20 HD11 LEU 20 14.145 47.441 80.944 137 1HD2 LEU 20 HD21 LEU 20 16.861 50.176 82.223 138 2HD2 LEU 20 HD23 LEU 20 15.387 50.019 83.180 139 3HD2 LEU 20 HD22 LEU 20 16.373 48.597 82.838 140 H THR 21 HN THR 21 13.631 51.357 81.764 141 HA THR 21 HA THR 21 11.433 51.293 79.795 142 HB THR 21 HB THR 21 10.125 51.238 82.120 143 HG1 THR 21 HG1 THR 21 12.523 50.011 82.880 144 1HG2 THR 21 HG22 THR 21 10.485 49.437 80.300 145 2HG2 THR 21 HG21 THR 21 11.767 48.832 81.350 146 3HG2 THR 21 HG23 THR 21 10.103 48.887 81.933 147 H GLY 22 HN GLY 22 12.787 53.480 82.225 148 1HA GLY 22 HA2 GLY 22 12.506 55.848 82.262 149 2HA GLY 22 HA1 GLY 22 11.264 55.692 81.019 150 H GLU 23 HN GLU 23 11.799 54.896 84.493 151 HA GLU 23 HA GLU 23 9.259 56.099 85.218 152 1HB GLU 23 HB2 GLU 23 9.443 53.184 84.718 153 2HB GLU 23 HB1 GLU 23 8.679 53.641 86.239 154 1HG GLU 23 HG2 GLU 23 6.792 54.053 85.082 155 2HG GLU 23 HG1 GLU 23 7.625 55.412 84.328 156 H CYS 24 HN CYS 24 9.145 56.402 87.474 157 HA CYS 24 HA CYS 24 11.572 56.417 88.946 158 1HB CYS 24 HB2 CYS 24 8.687 56.785 89.582 159 2HB CYS 24 HB1 CYS 24 9.757 56.428 90.939 160 H LEU 25 HN LEU 25 12.675 54.551 89.352 161 HA LEU 25 HA LEU 25 11.135 52.349 90.630 162 1HB LEU 25 HB2 LEU 25 12.062 50.697 89.310 163 2HB LEU 25 HB1 LEU 25 11.880 52.007 88.164 164 HG LEU 25 HG LEU 25 14.013 51.469 87.630 165 1HD1 LEU 25 HD11 LEU 25 14.053 53.602 89.397 166 2HD1 LEU 25 HD13 LEU 25 15.347 52.560 89.965 167 3HD1 LEU 25 HD12 LEU 25 15.341 53.139 88.301 168 1HD2 LEU 25 HD22 LEU 25 13.902 50.049 90.192 169 2HD2 LEU 25 HD21 LEU 25 14.536 49.530 88.629 170 3HD2 LEU 25 HD23 LEU 25 15.515 50.549 89.683 171 H LYS 26 HN LYS 26 12.359 54.287 92.118 172 HA LYS 26 HA LYS 26 14.386 52.684 93.562 173 1HB LYS 26 HB2 LYS 26 15.375 54.461 91.831 174 2HB LYS 26 HB1 LYS 26 15.023 55.578 93.150 175 1HG LYS 26 HG2 LYS 26 17.266 54.825 93.504 176 2HG LYS 26 HG1 LYS 26 16.271 53.963 94.679 177 1HD LYS 26 HD2 LYS 26 16.159 52.024 93.128 178 2HD LYS 26 HD1 LYS 26 17.220 52.881 92.009 179 1HE LYS 26 HE2 LYS 26 18.949 51.957 93.127 180 2HE LYS 26 HE1 LYS 26 18.550 53.045 94.455 181 1HZ LYS 26 HZ2 LYS 26 16.806 51.191 94.973 182 2HZ LYS 26 HZ1 LYS 26 17.891 50.211 94.111 183 3HZ LYS 26 HZ3 LYS 26 18.414 51.036 95.496 184 H CYS 27 HN CYS 27 11.979 52.864 94.612 185 HA CYS 27 HA CYS 27 11.121 55.199 95.919 186 1HB CYS 27 HB2 CYS 27 10.937 52.313 96.835 187 2HB CYS 27 HB1 CYS 27 10.022 53.639 97.548 188 H ILE 28 HN ILE 28 11.504 56.027 98.048 189 HA ILE 28 HA ILE 28 14.127 55.180 99.181 190 HB ILE 28 HB ILE 28 13.568 57.580 100.389 191 1HG1 ILE 28 HG12 ILE 28 12.991 58.054 97.492 192 2HG1 ILE 28 HG11 ILE 28 11.667 57.702 98.595 193 1HG2 ILE 28 HG23 ILE 28 15.073 56.988 97.834 194 2HG2 ILE 28 HG22 ILE 28 15.232 58.482 98.759 195 3HG2 ILE 28 HG21 ILE 28 15.722 56.945 99.473 196 1HD1 ILE 28 HD12 ILE 28 12.695 59.544 100.094 197 2HD1 ILE 28 HD11 ILE 28 13.582 60.021 98.647 198 3HD1 ILE 28 HD13 ILE 28 11.818 60.054 98.652 199 H TYR 29 HN TYR 29 11.163 56.671 100.448 200 HA TYR 29 HA TYR 29 11.666 55.685 103.118 201 1HB TYR 29 HB2 TYR 29 9.090 56.799 101.988 202 2HB TYR 29 HB1 TYR 29 9.518 56.668 103.692 203 HD1 TYR 29 HD1 TYR 29 12.584 57.360 102.627 204 HD2 TYR 29 HD2 TYR 29 8.737 59.275 102.616 205 HE1 TYR 29 HE1 TYR 29 13.686 59.579 102.513 206 HE2 TYR 29 HE2 TYR 29 9.841 61.491 102.501 207 HH TYR 29 HH TYR 29 13.185 61.909 103.050 208 H ASN 30 HN ASN 30 11.808 53.309 102.140 209 HA ASN 30 HA ASN 30 10.826 51.194 101.820 210 1HB ASN 30 HB2 ASN 30 9.569 52.354 104.309 211 2HB ASN 30 HB1 ASN 30 9.300 50.683 103.811 212 1HD2 ASN 30 HD22 ASN 30 12.971 50.040 104.103 213 2HD2 ASN 30 HD21 ASN 30 11.833 49.953 102.846 214 H THR 31 HN THR 31 9.677 52.413 99.860 215 HA THR 31 HA THR 31 6.750 51.899 100.239 216 HB THR 31 HB THR 31 6.618 53.628 98.230 217 HG1 THR 31 HG1 THR 31 8.342 55.253 99.191 218 1HG2 THR 31 HG21 THR 31 5.825 53.689 100.757 219 2HG2 THR 31 HG23 THR 31 7.129 54.866 100.905 220 3HG2 THR 31 HG22 THR 31 5.809 55.152 99.771 221 H ALA 32 HN ALA 32 5.657 51.084 98.295 222 HA ALA 32 HA ALA 32 7.574 49.804 96.375 223 1HB ALA 32 HB2 ALA 32 5.456 48.648 98.049 224 2HB ALA 32 HB1 ALA 32 5.328 48.192 96.350 225 3HB ALA 32 HB3 ALA 32 6.811 47.856 97.245 226 H GLY 33 HN GLY 33 5.684 48.760 94.603 227 1HA GLY 33 HA2 GLY 33 3.978 49.381 93.045 228 2HA GLY 33 HA1 GLY 33 3.897 50.970 93.801 229 H PHE 34 HN PHE 34 4.174 50.289 90.943 230 HA PHE 34 HA PHE 34 6.774 50.614 89.929 231 1HB PHE 34 HB2 PHE 34 4.379 50.361 88.750 232 2HB PHE 34 HB1 PHE 34 4.528 52.108 88.598 233 HD1 PHE 34 HD2 PHE 34 7.766 51.626 88.549 234 HD2 PHE 34 HD1 PHE 34 4.407 50.336 86.195 235 HE1 PHE 34 HE2 PHE 34 9.253 51.321 86.597 236 HE2 PHE 34 HE1 PHE 34 5.903 50.032 84.245 237 HZ PHE 34 HZ PHE 34 8.323 50.525 84.444 238 H TYR 35 HN TYR 35 4.602 53.074 91.296 239 HA TYR 35 HA TYR 35 6.823 55.049 90.934 240 1HB TYR 35 HB2 TYR 35 3.827 55.530 90.975 241 2HB TYR 35 HB1 TYR 35 5.042 56.807 90.964 242 HD1 TYR 35 HD2 TYR 35 7.072 55.879 89.127 243 HD2 TYR 35 HD1 TYR 35 2.804 55.474 88.874 244 HE1 TYR 35 HE2 TYR 35 7.235 55.712 86.657 245 HE2 TYR 35 HE1 TYR 35 2.965 55.308 86.405 246 HH TYR 35 HH TYR 35 5.838 56.057 84.698 247 H CYS 36 HN CYS 36 6.591 53.252 93.173 248 HA CYS 36 HA CYS 36 6.591 53.308 95.519 249 1HB CYS 36 HB2 CYS 36 6.845 56.296 95.072 250 2HB CYS 36 HB1 CYS 36 7.271 55.417 96.541 251 H ASP 37 HN ASP 37 4.016 53.461 94.116 252 HA ASP 37 HA ASP 37 2.390 55.297 95.764 253 1HB ASP 37 HB2 ASP 37 0.494 54.156 94.421 254 2HB ASP 37 HB1 ASP 37 1.611 55.195 93.535 255 H ARG 38 HN ARG 38 3.851 52.628 96.607 256 HA ARG 38 HA ARG 38 1.533 51.603 98.159 257 1HB ARG 38 HB2 ARG 38 2.734 50.185 96.137 258 2HB ARG 38 HB1 ARG 38 3.656 49.650 97.541 259 1HG ARG 38 HG2 ARG 38 1.582 49.045 98.705 260 2HG ARG 38 HG1 ARG 38 0.629 49.630 97.340 261 1HD ARG 38 HD2 ARG 38 1.232 47.852 95.976 262 2HD ARG 38 HD1 ARG 38 2.757 47.587 96.822 263 HE ARG 38 HE ARG 38 0.394 47.017 98.451 264 1HH1 ARG 38 HH21 ARG 38 3.359 45.863 97.621 265 2HH1 ARG 38 HH22 ARG 38 2.892 44.206 97.427 266 1HH2 ARG 38 HH11 ARG 38 -0.508 44.869 97.578 267 2HH2 ARG 38 HH12 ARG 38 0.703 43.644 97.401 268 H CYS 39 HN CYS 39 2.633 50.036 99.913 269 HA CYS 39 HA CYS 39 4.950 51.501 101.108 270 1HB CYS 39 HB2 CYS 39 2.420 50.469 102.413 271 2HB CYS 39 HB1 CYS 39 3.845 50.865 103.358 272 H LYS 40 HN LYS 40 6.670 50.111 101.601 273 HA LYS 40 HA LYS 40 6.655 47.392 100.833 274 1HB LYS 40 HB2 LYS 40 8.776 48.419 101.101 275 2HB LYS 40 HB1 LYS 40 8.394 48.966 102.732 276 1HG LYS 40 HG2 LYS 40 8.493 46.722 103.597 277 2HG LYS 40 HG1 LYS 40 8.603 46.043 101.972 278 1HD LYS 40 HD2 LYS 40 10.671 48.053 102.589 279 2HD LYS 40 HD1 LYS 40 10.765 46.589 103.569 280 1HE LYS 40 HE2 LYS 40 10.227 45.780 100.894 281 2HE LYS 40 HE1 LYS 40 11.548 46.949 100.836 282 1HZ LYS 40 HZ1 LYS 40 11.534 44.748 102.806 283 2HZ LYS 40 HZ3 LYS 40 12.127 44.513 101.235 284 3HZ LYS 40 HZ2 LYS 40 12.849 45.668 102.249 285 H GLU 41 HN GLU 41 6.304 45.477 101.954 286 HA GLU 41 HA GLU 41 4.395 45.475 104.078 287 1HB GLU 41 HB2 GLU 41 5.133 43.020 104.302 288 2HB GLU 41 HB1 GLU 41 4.487 43.518 102.739 289 1HG GLU 41 HG2 GLU 41 6.520 43.351 101.690 290 2HG GLU 41 HG1 GLU 41 7.417 43.846 103.128 291 H GLY 42 HN GLY 42 4.668 45.468 106.296 292 1HA GLY 42 HA2 GLY 42 6.192 44.731 108.199 293 2HA GLY 42 HA1 GLY 42 7.491 45.529 107.295 294 H PHE 43 HN PHE 43 6.026 47.685 106.308 295 HA PHE 43 HA PHE 43 5.279 49.125 108.801 296 1HB PHE 43 HB2 PHE 43 6.390 50.523 106.385 297 2HB PHE 43 HB1 PHE 43 6.280 51.082 108.057 298 HD1 PHE 43 HD2 PHE 43 7.764 50.049 109.809 299 HD2 PHE 43 HD1 PHE 43 8.247 49.229 105.621 300 HE1 PHE 43 HE2 PHE 43 10.040 49.166 110.245 301 HE2 PHE 43 HE1 PHE 43 10.521 48.343 106.056 302 HZ PHE 43 HZ PHE 43 11.418 48.311 108.367 303 H PHE 44 HN PHE 44 3.354 49.978 108.745 304 HA PHE 44 HA PHE 44 1.826 49.963 106.179 305 1HB PHE 44 HB2 PHE 44 0.395 50.228 108.779 306 2HB PHE 44 HB1 PHE 44 -0.065 49.334 107.332 307 HD1 PHE 44 HD1 PHE 44 2.175 49.293 110.304 308 HD2 PHE 44 HD2 PHE 44 0.491 47.024 107.066 309 HE1 PHE 44 HE1 PHE 44 3.039 47.201 111.320 310 HE2 PHE 44 HE2 PHE 44 1.355 44.934 108.084 311 HZ PHE 44 HZ PHE 44 2.628 45.022 110.209 312 H GLY 45 HN GLY 45 -0.052 51.717 106.322 313 1HA GLY 45 HA2 GLY 45 -0.424 53.983 107.514 314 2HA GLY 45 HA1 GLY 45 1.279 54.246 107.179 315 H ASN 46 HN ASN 46 1.118 55.928 105.770 316 HA ASN 46 HA ASN 46 -0.215 55.340 103.153 317 1HB ASN 46 HB2 ASN 46 -0.646 57.616 105.003 318 2HB ASN 46 HB1 ASN 46 -0.467 58.042 103.301 319 1HD2 ASN 46 HD22 ASN 46 -3.940 56.482 104.535 320 2HD2 ASN 46 HD21 ASN 46 -2.747 57.059 105.596 321 HA PRO 47 HA PRO 47 3.936 56.511 101.991 322 1HB PRO 47 HB2 PRO 47 3.657 55.950 99.323 323 2HB PRO 47 HB1 PRO 47 3.950 54.714 100.556 324 1HG PRO 47 HG2 PRO 47 1.422 55.349 99.104 325 2HG PRO 47 HG1 PRO 47 1.951 53.816 99.819 326 1HD PRO 47 HD2 PRO 47 0.091 55.617 100.956 327 2HD PRO 47 HD1 PRO 47 0.886 54.268 101.796 328 H LEU 48 HN LEU 48 1.000 58.001 101.100 329 HA LEU 48 HA LEU 48 2.466 60.143 99.614 330 1HB LEU 48 HB2 LEU 48 0.302 58.809 98.732 331 2HB LEU 48 HB1 LEU 48 -0.511 60.087 99.635 332 HG LEU 48 HG LEU 48 1.145 61.682 98.394 333 1HD1 LEU 48 HD12 LEU 48 1.865 59.146 97.294 334 2HD1 LEU 48 HD11 LEU 48 1.116 60.097 96.012 335 3HD1 LEU 48 HD13 LEU 48 2.513 60.734 96.882 336 1HD2 LEU 48 HD22 LEU 48 -1.461 60.709 97.843 337 2HD2 LEU 48 HD21 LEU 48 -0.757 62.241 97.324 338 3HD2 LEU 48 HD23 LEU 48 -0.629 60.815 96.292 339 H ALA 49 HN ALA 49 2.551 59.999 102.488 340 HA ALA 49 HA ALA 49 0.675 62.137 103.351 341 1HB ALA 49 HB2 ALA 49 1.551 59.863 104.643 342 2HB ALA 49 HB1 ALA 49 2.598 61.107 105.326 343 3HB ALA 49 HB3 ALA 49 0.847 61.268 105.444 344 HA PRO 50 HA PRO 50 3.854 65.171 103.113 345 1HB PRO 50 HB2 PRO 50 2.896 66.931 105.002 346 2HB PRO 50 HB1 PRO 50 2.209 66.770 103.376 347 1HG PRO 50 HG2 PRO 50 1.140 65.762 105.981 348 2HG PRO 50 HG1 PRO 50 0.262 66.248 104.519 349 1HD PRO 50 HD2 PRO 50 0.763 63.593 105.292 350 2HD PRO 50 HD1 PRO 50 0.301 64.121 103.658 351 H ASN 51 HN ASN 51 2.987 63.659 106.139 352 HA ASN 51 HA ASN 51 5.552 64.518 107.379 353 1HB ASN 51 HB2 ASN 51 3.116 64.468 108.500 354 2HB ASN 51 HB1 ASN 51 3.600 62.808 108.847 355 1HD2 ASN 51 HD22 ASN 51 5.941 65.808 110.432 356 2HD2 ASN 51 HD21 ASN 51 5.218 66.044 108.915 357 HA PRO 52 HA PRO 52 7.136 60.496 106.340 358 1HB PRO 52 HB2 PRO 52 9.463 60.691 107.794 359 2HB PRO 52 HB1 PRO 52 9.222 61.460 106.216 360 1HG PRO 52 HG2 PRO 52 9.239 62.704 108.928 361 2HG PRO 52 HG1 PRO 52 9.658 63.415 107.361 362 1HD PRO 52 HD2 PRO 52 7.228 63.812 108.739 363 2HD PRO 52 HD1 PRO 52 7.523 64.179 107.024 364 H ALA 53 HN ALA 53 6.411 61.634 109.555 365 HA ALA 53 HA ALA 53 7.017 59.070 110.852 366 1HB ALA 53 HB3 ALA 53 5.962 61.732 111.710 367 2HB ALA 53 HB2 ALA 53 5.561 60.333 112.706 368 3HB ALA 53 HB1 ALA 53 7.249 60.755 112.416 369 H ASP 54 HN ASP 54 4.454 60.382 109.032 370 HA ASP 54 HA ASP 54 2.561 58.354 110.154 371 1HB ASP 54 HB2 ASP 54 2.173 61.100 109.025 372 2HB ASP 54 HB1 ASP 54 0.903 59.906 108.759 373 H LYS 55 HN LYS 55 4.722 58.509 107.806 374 HA LYS 55 HA LYS 55 3.082 57.910 105.484 375 1HB LYS 55 HB2 LYS 55 5.466 58.917 105.542 376 2HB LYS 55 HB1 LYS 55 6.019 57.257 105.728 377 1HG LYS 55 HG2 LYS 55 5.014 56.610 103.631 378 2HG LYS 55 HG1 LYS 55 4.152 58.142 103.513 379 1HD LYS 55 HD2 LYS 55 7.168 57.991 103.597 380 2HD LYS 55 HD1 LYS 55 6.258 57.939 102.087 381 1HE LYS 55 HE2 LYS 55 5.414 60.104 103.886 382 2HE LYS 55 HE1 LYS 55 7.088 60.248 103.348 383 1HZ LYS 55 HZ2 LYS 55 5.565 59.475 101.151 384 2HZ LYS 55 HZ1 LYS 55 4.734 60.754 101.900 385 3HZ LYS 55 HZ3 LYS 55 6.343 60.963 101.409 386 H CYS 56 HN CYS 56 5.319 55.565 105.103 387 HA CYS 56 HA CYS 56 3.441 53.480 106.043 388 1HB CYS 56 HB2 CYS 56 6.044 52.934 104.619 389 2HB CYS 56 HB1 CYS 56 4.560 51.988 104.599 390 H LYS 57 HN LYS 57 3.949 53.855 108.353 391 HA LYS 57 HA LYS 57 6.652 52.825 109.114 392 1HB LYS 57 HB2 LYS 57 4.901 54.957 110.236 393 2HB LYS 57 HB1 LYS 57 5.795 53.973 111.396 394 1HG LYS 57 HG2 LYS 57 7.529 55.374 110.990 395 2HG LYS 57 HG1 LYS 57 7.702 54.499 109.469 396 1HD LYS 57 HD2 LYS 57 5.609 56.507 109.287 397 2HD LYS 57 HD1 LYS 57 7.146 57.230 109.762 398 1HE LYS 57 HE2 LYS 57 6.681 55.438 107.360 399 2HE LYS 57 HE1 LYS 57 6.989 57.174 107.322 400 1HZ LYS 57 HZ2 LYS 57 9.033 56.176 108.816 401 2HZ LYS 57 HZ1 LYS 57 8.835 55.006 107.599 402 3HZ LYS 57 HZ3 LYS 57 9.124 56.623 107.179 403 H ALA 58 HN ALA 58 6.621 51.632 111.267 404 HA ALA 58 HA ALA 58 4.724 49.468 111.136 405 1HB ALA 58 HB2 ALA 58 7.100 49.391 112.078 406 2HB ALA 58 HB1 ALA 58 6.449 50.171 113.519 407 3HB ALA 58 HB3 ALA 58 5.864 48.577 113.038 No H/Q in entry = 407 Start of MODEL 6 1 1H ARG 1 HT3 ARG 1 14.175 69.487 84.624 2 2H ARG 1 HT2 ARG 1 14.214 69.324 82.934 3 3H ARG 1 HT1 ARG 1 13.020 70.283 83.670 4 HA ARG 1 HA ARG 1 11.877 68.456 84.519 5 1HB ARG 1 HB2 ARG 1 12.449 68.661 81.770 6 2HB ARG 1 HB1 ARG 1 12.561 66.941 82.148 7 1HG ARG 1 HG2 ARG 1 10.346 66.958 83.141 8 2HG ARG 1 HG1 ARG 1 10.234 68.708 82.951 9 1HD ARG 1 HD2 ARG 1 9.006 67.468 81.167 10 2HD ARG 1 HD1 ARG 1 10.290 68.491 80.523 11 HE ARG 1 HE ARG 1 11.681 66.353 80.431 12 1HH1 ARG 1 HH21 ARG 1 10.467 64.143 81.409 13 2HH1 ARG 1 HH22 ARG 1 9.348 63.573 80.214 14 1HH2 ARG 1 HH11 ARG 1 9.275 66.573 78.474 15 2HH2 ARG 1 HH12 ARG 1 8.670 64.952 78.554 16 HA PRO 2 HA PRO 2 15.206 65.706 85.991 17 1HB PRO 2 HB2 PRO 2 14.204 65.543 88.545 18 2HB PRO 2 HB1 PRO 2 15.297 66.827 88.000 19 1HG PRO 2 HG2 PRO 2 12.366 66.958 88.529 20 2HG PRO 2 HG1 PRO 2 13.577 68.248 88.596 21 1HD PRO 2 HD2 PRO 2 11.739 67.798 86.488 22 2HD PRO 2 HD1 PRO 2 13.150 68.877 86.434 23 H CYS 3 HN CYS 3 14.877 63.539 87.277 24 HA CYS 3 HA CYS 3 12.336 62.265 86.336 25 1HB CYS 3 HB2 CYS 3 13.696 60.132 86.344 26 2HB CYS 3 HB1 CYS 3 14.223 61.320 85.151 27 H GLN 4 HN GLN 4 11.211 62.656 88.330 28 HA GLN 4 HA GLN 4 11.933 60.766 90.473 29 1HB GLN 4 HB2 GLN 4 11.752 63.752 90.973 30 2HB GLN 4 HB1 GLN 4 11.855 62.522 92.230 31 1HG GLN 4 HG2 GLN 4 14.041 61.805 91.392 32 2HG GLN 4 HG1 GLN 4 13.935 62.969 90.070 33 1HE2 GLN 4 HE22 GLN 4 15.900 64.744 92.613 34 2HE2 GLN 4 HE21 GLN 4 16.115 63.499 91.479 35 H CYS 5 HN CYS 5 9.992 59.773 90.868 36 HA CYS 5 HA CYS 5 7.462 61.019 90.190 37 1HB CYS 5 HB2 CYS 5 7.664 58.729 92.133 38 2HB CYS 5 HB1 CYS 5 6.456 59.020 90.884 39 H ASN 6 HN ASN 6 6.440 59.889 92.994 40 HA ASN 6 HA ASN 6 6.159 62.421 94.252 41 1HB ASN 6 HB2 ASN 6 6.086 59.635 95.457 42 2HB ASN 6 HB1 ASN 6 5.586 61.099 96.306 43 1HD2 ASN 6 HD21 ASN 6 4.187 58.571 94.845 44 2HD2 ASN 6 HD22 ASN 6 2.851 59.317 94.111 45 H ASP 7 HN ASP 7 7.086 62.415 96.800 46 HA ASP 7 HA ASP 7 9.978 62.730 96.374 47 1HB ASP 7 HB2 ASP 7 8.335 64.232 97.772 48 2HB ASP 7 HB1 ASP 7 8.653 63.056 99.047 49 H ASN 8 HN ASN 8 10.052 60.191 96.031 50 HA ASN 8 HA ASN 8 10.830 59.041 98.679 51 1HB ASN 8 HB2 ASN 8 9.431 57.336 96.631 52 2HB ASN 8 HB1 ASN 8 9.612 57.060 98.365 53 1HD2 ASN 8 HD22 ASN 8 6.239 58.707 97.199 54 2HD2 ASN 8 HD21 ASN 8 7.217 57.667 96.281 55 H ILE 9 HN ILE 9 12.831 59.980 97.205 56 HA ILE 9 HA ILE 9 14.142 57.540 96.179 57 HB ILE 9 HB ILE 9 14.929 58.860 94.139 58 1HG1 ILE 9 HG12 ILE 9 12.645 60.491 93.829 59 2HG1 ILE 9 HG11 ILE 9 13.265 60.830 95.446 60 1HG2 ILE 9 HG22 ILE 9 13.057 57.065 94.285 61 2HG2 ILE 9 HG21 ILE 9 11.945 58.427 94.123 62 3HG2 ILE 9 HG23 ILE 9 13.116 58.087 92.848 63 1HD1 ILE 9 HD13 ILE 9 15.545 61.133 94.456 64 2HD1 ILE 9 HD12 ILE 9 14.834 60.938 92.853 65 3HD1 ILE 9 HD11 ILE 9 14.374 62.310 93.861 66 H ASP 10 HN ASP 10 16.465 57.798 96.112 67 HA ASP 10 HA ASP 10 17.387 60.077 97.802 68 1HB ASP 10 HB2 ASP 10 18.126 57.218 97.609 69 2HB ASP 10 HB1 ASP 10 19.473 58.335 97.829 70 HA PRO 11 HA PRO 11 19.472 61.449 94.104 71 1HB PRO 11 HB2 PRO 11 20.729 63.585 95.279 72 2HB PRO 11 HB1 PRO 11 19.025 63.594 94.796 73 1HG PRO 11 HG2 PRO 11 20.204 63.373 97.528 74 2HG PRO 11 HG1 PRO 11 18.638 64.039 97.032 75 1HD PRO 11 HD2 PRO 11 19.040 61.496 98.176 76 2HD PRO 11 HD1 PRO 11 17.580 62.030 97.312 77 H ASN 12 HN ASN 12 20.857 60.114 96.855 78 HA ASN 12 HA ASN 12 23.655 60.672 96.245 79 1HB ASN 12 HB2 ASN 12 22.285 58.734 98.123 80 2HB ASN 12 HB1 ASN 12 24.039 58.821 97.959 81 1HD2 ASN 12 HD22 ASN 12 23.935 62.369 99.139 82 2HD2 ASN 12 HD21 ASN 12 24.448 61.595 97.717 83 H ALA 13 HN ALA 13 22.070 57.463 96.467 84 HA ALA 13 HA ALA 13 23.954 56.148 94.811 85 1HB ALA 13 HB3 ALA 13 21.394 55.525 96.015 86 2HB ALA 13 HB2 ALA 13 21.490 54.850 94.388 87 3HB ALA 13 HB1 ALA 13 22.715 54.436 95.588 88 H VAL 14 HN VAL 14 23.593 55.320 92.573 89 HA VAL 14 HA VAL 14 22.224 57.394 90.916 90 HB VAL 14 HB VAL 14 24.269 55.360 89.992 91 1HG1 VAL 14 HG11 VAL 14 22.707 57.524 88.771 92 2HG1 VAL 14 HG13 VAL 14 24.438 57.656 88.457 93 3HG1 VAL 14 HG12 VAL 14 23.570 56.190 88.004 94 1HG2 VAL 14 HG22 VAL 14 24.775 57.340 91.840 95 2HG2 VAL 14 HG21 VAL 14 25.972 56.677 90.729 96 3HG2 VAL 14 HG23 VAL 14 25.117 58.164 90.319 97 H GLY 15 HN GLY 15 20.663 56.754 89.406 98 1HA GLY 15 HA2 GLY 15 19.618 54.993 88.015 99 2HA GLY 15 HA1 GLY 15 20.065 53.832 89.270 100 H ASN 16 HN ASN 16 19.158 56.240 91.183 101 HA ASN 16 HA ASN 16 16.833 55.196 92.188 102 1HB ASN 16 HB2 ASN 16 17.528 58.121 91.833 103 2HB ASN 16 HB1 ASN 16 16.186 57.552 92.826 104 1HD2 ASN 16 HD22 ASN 16 20.026 57.084 94.156 105 2HD2 ASN 16 HD21 ASN 16 19.733 57.572 92.557 106 H CYS 17 HN CYS 17 17.114 57.093 89.218 107 HA CYS 17 HA CYS 17 14.215 56.560 88.797 108 1HB CYS 17 HB2 CYS 17 13.970 58.639 87.634 109 2HB CYS 17 HB1 CYS 17 14.845 59.006 89.119 110 H ASN 18 HN ASN 18 13.786 55.293 87.079 111 HA ASN 18 HA ASN 18 15.961 54.758 85.139 112 1HB ASN 18 HB2 ASN 18 13.837 53.212 86.355 113 2HB ASN 18 HB1 ASN 18 13.899 52.995 84.613 114 1HD2 ASN 18 HD22 ASN 18 17.544 52.337 86.387 115 2HD2 ASN 18 HD21 ASN 18 16.709 53.789 86.666 116 H ARG 19 HN ARG 19 15.880 55.772 83.221 117 HA ARG 19 HA ARG 19 13.405 57.017 82.268 118 1HB ARG 19 HB2 ARG 19 14.796 57.792 80.391 119 2HB ARG 19 HB1 ARG 19 15.606 58.108 81.927 120 1HG ARG 19 HG2 ARG 19 17.216 56.490 81.574 121 2HG ARG 19 HG1 ARG 19 16.146 55.495 80.584 122 1HD ARG 19 HD2 ARG 19 17.846 56.474 79.148 123 2HD ARG 19 HD1 ARG 19 16.293 57.223 78.779 124 HE ARG 19 HE ARG 19 17.518 59.201 79.213 125 1HH1 ARG 19 HH11 ARG 19 19.796 57.420 80.449 126 2HH1 ARG 19 HH12 ARG 19 19.930 58.168 82.006 127 1HH2 ARG 19 HH21 ARG 19 16.946 59.912 81.719 128 2HH2 ARG 19 HH22 ARG 19 18.316 59.579 82.724 129 H LEU 20 HN LEU 20 15.158 54.042 81.732 130 HA LEU 20 HA LEU 20 13.634 53.480 79.260 131 1HB LEU 20 HB2 LEU 20 14.967 51.278 79.389 132 2HB LEU 20 HB1 LEU 20 15.878 52.758 79.088 133 HG LEU 20 HG LEU 20 15.493 52.075 81.941 134 1HD1 LEU 20 HD11 LEU 20 15.900 49.846 80.835 135 2HD1 LEU 20 HD13 LEU 20 17.428 50.490 80.233 136 3HD1 LEU 20 HD12 LEU 20 17.163 50.328 81.969 137 1HD2 LEU 20 HD21 LEU 20 17.099 53.753 80.388 138 2HD2 LEU 20 HD23 LEU 20 17.292 53.431 82.111 139 3HD2 LEU 20 HD22 LEU 20 18.195 52.482 80.930 140 H THR 21 HN THR 21 13.821 52.291 82.623 141 HA THR 21 HA THR 21 11.718 50.281 82.087 142 HB THR 21 HB THR 21 12.015 49.595 84.338 143 HG1 THR 21 HG1 THR 21 12.796 50.879 85.896 144 1HG2 THR 21 HG22 THR 21 13.957 49.145 82.856 145 2HG2 THR 21 HG21 THR 21 14.705 50.642 83.415 146 3HG2 THR 21 HG23 THR 21 14.435 49.316 84.545 147 H GLY 22 HN GLY 22 11.614 53.561 82.239 148 1HA GLY 22 HA2 GLY 22 9.227 54.416 82.280 149 2HA GLY 22 HA1 GLY 22 9.078 53.577 83.825 150 H GLU 23 HN GLU 23 10.536 54.408 85.653 151 HA GLU 23 HA GLU 23 12.098 56.740 85.385 152 1HB GLU 23 HB2 GLU 23 10.271 57.976 84.664 153 2HB GLU 23 HB1 GLU 23 9.172 57.193 85.796 154 1HG GLU 23 HG2 GLU 23 9.509 58.891 87.238 155 2HG GLU 23 HG1 GLU 23 11.203 58.420 87.355 156 H CYS 24 HN CYS 24 9.776 55.095 87.622 157 HA CYS 24 HA CYS 24 11.573 55.921 89.845 158 1HB CYS 24 HB2 CYS 24 8.734 55.134 89.637 159 2HB CYS 24 HB1 CYS 24 9.584 54.408 91.003 160 H LEU 25 HN LEU 25 13.199 54.507 90.341 161 HA LEU 25 HA LEU 25 12.700 51.657 89.605 162 1HB LEU 25 HB2 LEU 25 14.619 53.382 88.643 163 2HB LEU 25 HB1 LEU 25 15.509 52.476 89.827 164 HG LEU 25 HG LEU 25 14.413 51.701 87.218 165 1HD1 LEU 25 HD12 LEU 25 16.861 51.715 88.349 166 2HD1 LEU 25 HD11 LEU 25 16.401 50.042 88.670 167 3HD1 LEU 25 HD13 LEU 25 16.433 50.646 87.013 168 1HD2 LEU 25 HD22 LEU 25 13.910 50.019 89.634 169 2HD2 LEU 25 HD21 LEU 25 12.909 50.253 88.200 170 3HD2 LEU 25 HD23 LEU 25 14.342 49.229 88.116 171 H LYS 26 HN LYS 26 13.412 53.724 92.269 172 HA LYS 26 HA LYS 26 13.683 51.339 93.978 173 1HB LYS 26 HB2 LYS 26 15.852 53.414 94.196 174 2HB LYS 26 HB1 LYS 26 15.814 51.784 94.861 175 1HG LYS 26 HG2 LYS 26 15.926 50.841 92.588 176 2HG LYS 26 HG1 LYS 26 15.959 52.468 91.910 177 1HD LYS 26 HD2 LYS 26 18.227 52.090 92.001 178 2HD LYS 26 HD1 LYS 26 17.999 52.709 93.637 179 1HE LYS 26 HE2 LYS 26 17.818 50.442 94.515 180 2HE LYS 26 HE1 LYS 26 17.911 49.772 92.886 181 1HZ LYS 26 HZ1 LYS 26 20.082 51.513 93.311 182 2HZ LYS 26 HZ3 LYS 26 20.016 50.401 94.590 183 3HZ LYS 26 HZ2 LYS 26 20.106 49.845 92.987 184 H CYS 27 HN CYS 27 11.559 52.470 94.703 185 HA CYS 27 HA CYS 27 11.491 55.046 95.864 186 1HB CYS 27 HB2 CYS 27 10.066 52.551 96.857 187 2HB CYS 27 HB1 CYS 27 9.584 54.215 97.172 188 H ILE 28 HN ILE 28 12.013 55.781 97.999 189 HA ILE 28 HA ILE 28 13.945 54.005 99.381 190 HB ILE 28 HB ILE 28 14.035 56.352 100.787 191 1HG1 ILE 28 HG12 ILE 28 13.944 57.219 97.918 192 2HG1 ILE 28 HG11 ILE 28 12.473 57.245 98.884 193 1HG2 ILE 28 HG23 ILE 28 15.611 54.914 98.814 194 2HG2 ILE 28 HG22 ILE 28 15.876 56.653 98.698 195 3HG2 ILE 28 HG21 ILE 28 16.151 55.820 100.227 196 1HD1 ILE 28 HD11 ILE 28 14.347 58.391 100.569 197 2HD1 ILE 28 HD13 ILE 28 14.793 59.025 98.986 198 3HD1 ILE 28 HD12 ILE 28 13.161 59.273 99.608 199 H TYR 29 HN TYR 29 11.509 56.284 100.557 200 HA TYR 29 HA TYR 29 11.375 55.321 103.181 201 1HB TYR 29 HB2 TYR 29 9.168 56.614 101.565 202 2HB TYR 29 HB1 TYR 29 9.218 56.495 103.325 203 HD1 TYR 29 HD1 TYR 29 12.118 56.975 103.826 204 HD2 TYR 29 HD2 TYR 29 9.374 58.942 101.169 205 HE1 TYR 29 HE1 TYR 29 13.497 59.036 103.926 206 HE2 TYR 29 HE2 TYR 29 10.753 61.001 101.268 207 HH TYR 29 HH TYR 29 12.552 61.968 102.124 208 H ASN 30 HN ASN 30 11.393 53.004 102.917 209 HA ASN 30 HA ASN 30 10.398 50.870 102.399 210 1HB ASN 30 HB2 ASN 30 9.347 52.291 104.769 211 2HB ASN 30 HB1 ASN 30 8.435 50.864 104.271 212 1HD2 ASN 30 HD22 ASN 30 11.463 50.017 106.493 213 2HD2 ASN 30 HD21 ASN 30 10.321 51.263 106.640 214 H THR 31 HN THR 31 9.423 52.318 100.340 215 HA THR 31 HA THR 31 6.497 51.672 100.419 216 HB THR 31 HB THR 31 6.241 53.421 98.637 217 HG1 THR 31 HG1 THR 31 8.828 53.285 98.596 218 1HG2 THR 31 HG22 THR 31 6.517 53.708 101.422 219 2HG2 THR 31 HG21 THR 31 7.364 55.082 100.713 220 3HG2 THR 31 HG23 THR 31 5.672 54.792 100.317 221 H ALA 32 HN ALA 32 5.616 50.666 98.541 222 HA ALA 32 HA ALA 32 7.714 49.549 96.717 223 1HB ALA 32 HB3 ALA 32 6.633 47.913 98.319 224 2HB ALA 32 HB2 ALA 32 5.108 48.207 97.481 225 3HB ALA 32 HB1 ALA 32 6.467 47.491 96.615 226 H GLY 33 HN GLY 33 6.325 48.487 94.727 227 1HA GLY 33 HA2 GLY 33 4.738 48.892 92.983 228 2HA GLY 33 HA1 GLY 33 4.240 50.371 93.807 229 H PHE 34 HN PHE 34 5.056 50.011 90.985 230 HA PHE 34 HA PHE 34 7.687 50.928 90.506 231 1HB PHE 34 HB2 PHE 34 5.944 50.128 88.796 232 2HB PHE 34 HB1 PHE 34 5.293 51.765 88.843 233 HD1 PHE 34 HD2 PHE 34 8.685 50.154 88.663 234 HD2 PHE 34 HD1 PHE 34 6.044 53.182 87.137 235 HE1 PHE 34 HE2 PHE 34 10.445 50.891 87.088 236 HE2 PHE 34 HE1 PHE 34 7.808 53.916 85.560 237 HZ PHE 34 HZ PHE 34 10.006 52.771 85.538 238 H TYR 35 HN TYR 35 4.838 52.744 91.573 239 HA TYR 35 HA TYR 35 6.498 55.228 91.443 240 1HB TYR 35 HB2 TYR 35 3.490 54.870 91.346 241 2HB TYR 35 HB1 TYR 35 4.287 56.435 91.506 242 HD1 TYR 35 HD2 TYR 35 6.532 56.402 89.760 243 HD2 TYR 35 HD1 TYR 35 2.689 54.574 89.179 244 HE1 TYR 35 HE2 TYR 35 6.864 56.488 87.305 245 HE2 TYR 35 HE1 TYR 35 3.019 54.660 86.722 246 HH TYR 35 HH TYR 35 5.768 54.934 85.248 247 H CYS 36 HN CYS 36 6.351 53.127 93.611 248 HA CYS 36 HA CYS 36 6.164 53.052 95.953 249 1HB CYS 36 HB2 CYS 36 6.199 56.032 96.109 250 2HB CYS 36 HB1 CYS 36 7.130 54.852 97.027 251 H ASP 37 HN ASP 37 3.735 52.736 94.889 252 HA ASP 37 HA ASP 37 1.915 54.777 96.047 253 1HB ASP 37 HB2 ASP 37 1.764 52.820 93.880 254 2HB ASP 37 HB1 ASP 37 0.344 52.780 94.927 255 H ARG 38 HN ARG 38 3.340 51.840 96.996 256 HA ARG 38 HA ARG 38 1.197 51.526 99.038 257 1HB ARG 38 HB2 ARG 38 1.796 49.669 97.027 258 2HB ARG 38 HB1 ARG 38 2.597 49.041 98.469 259 1HG ARG 38 HG2 ARG 38 0.633 48.527 99.465 260 2HG ARG 38 HG1 ARG 38 -0.087 50.075 99.023 261 1HD ARG 38 HD2 ARG 38 -0.215 49.094 96.626 262 2HD ARG 38 HD1 ARG 38 0.037 47.533 97.406 263 HE ARG 38 HE ARG 38 -2.364 49.238 97.677 264 1HH1 ARG 38 HH21 ARG 38 -0.484 47.001 99.411 265 2HH1 ARG 38 HH22 ARG 38 -1.813 45.980 99.844 266 1HH2 ARG 38 HH11 ARG 38 -4.113 47.709 97.904 267 2HH2 ARG 38 HH12 ARG 38 -3.871 46.379 98.986 268 H CYS 39 HN CYS 39 2.303 49.743 100.654 269 HA CYS 39 HA CYS 39 4.932 50.935 101.433 270 1HB CYS 39 HB2 CYS 39 2.883 49.689 103.295 271 2HB CYS 39 HB1 CYS 39 4.276 50.652 103.759 272 H LYS 40 HN LYS 40 6.631 49.400 101.722 273 HA LYS 40 HA LYS 40 6.303 46.777 100.701 274 1HB LYS 40 HB2 LYS 40 8.535 47.438 100.808 275 2HB LYS 40 HB1 LYS 40 8.364 48.114 102.427 276 1HG LYS 40 HG2 LYS 40 8.325 45.923 103.426 277 2HG LYS 40 HG1 LYS 40 8.201 45.143 101.849 278 1HD LYS 40 HD2 LYS 40 10.496 46.854 101.827 279 2HD LYS 40 HD1 LYS 40 10.566 45.850 103.275 280 1HE LYS 40 HE2 LYS 40 11.643 44.761 101.304 281 2HE LYS 40 HE1 LYS 40 10.288 43.829 101.939 282 1HZ LYS 40 HZ3 LYS 40 10.038 45.753 99.696 283 2HZ LYS 40 HZ2 LYS 40 10.326 44.092 99.475 284 3HZ LYS 40 HZ1 LYS 40 8.890 44.616 100.215 285 H GLU 41 HN GLU 41 6.146 44.728 101.784 286 HA GLU 41 HA GLU 41 4.236 44.595 103.884 287 1HB GLU 41 HB2 GLU 41 5.827 42.728 102.327 288 2HB GLU 41 HB1 GLU 41 5.707 42.209 104.008 289 1HG GLU 41 HG2 GLU 41 3.474 41.799 103.855 290 2HG GLU 41 HG1 GLU 41 3.188 43.218 102.848 291 H GLY 42 HN GLY 42 4.495 44.981 106.032 292 1HA GLY 42 HA2 GLY 42 5.845 44.273 108.065 293 2HA GLY 42 HA1 GLY 42 7.266 44.804 107.149 294 H PHE 43 HN PHE 43 5.940 47.014 105.886 295 HA PHE 43 HA PHE 43 5.391 48.757 108.233 296 1HB PHE 43 HB2 PHE 43 6.788 49.736 105.753 297 2HB PHE 43 HB1 PHE 43 6.594 50.544 107.310 298 HD1 PHE 43 HD1 PHE 43 8.267 47.696 105.586 299 HD2 PHE 43 HD2 PHE 43 8.112 50.147 109.111 300 HE1 PHE 43 HE1 PHE 43 10.401 46.707 106.371 301 HE2 PHE 43 HE2 PHE 43 10.245 49.158 109.895 302 HZ PHE 43 HZ PHE 43 11.392 47.438 108.524 303 H PHE 44 HN PHE 44 3.585 49.785 108.063 304 HA PHE 44 HA PHE 44 2.266 50.091 105.397 305 1HB PHE 44 HB2 PHE 44 0.634 49.893 107.904 306 2HB PHE 44 HB1 PHE 44 0.211 49.429 106.257 307 HD1 PHE 44 HD1 PHE 44 2.152 48.463 109.261 308 HD2 PHE 44 HD2 PHE 44 0.750 47.248 105.388 309 HE1 PHE 44 HE1 PHE 44 2.835 46.128 109.746 310 HE2 PHE 44 HE2 PHE 44 1.431 44.913 105.872 311 HZ PHE 44 HZ PHE 44 2.473 44.353 108.052 312 H GLY 45 HN GLY 45 0.333 51.831 105.798 313 1HA GLY 45 HA2 GLY 45 0.092 53.868 107.462 314 2HA GLY 45 HA1 GLY 45 1.733 54.200 106.928 315 H ASN 46 HN ASN 46 1.333 56.083 105.812 316 HA ASN 46 HA ASN 46 -0.379 55.792 103.371 317 1HB ASN 46 HB2 ASN 46 -0.294 58.031 105.384 318 2HB ASN 46 HB1 ASN 46 -0.795 58.335 103.721 319 1HD2 ASN 46 HD21 ASN 46 -2.978 57.965 103.283 320 2HD2 ASN 46 HD22 ASN 46 -4.013 57.020 104.240 321 HA PRO 47 HA PRO 47 3.678 57.123 101.888 322 1HB PRO 47 HB2 PRO 47 3.379 55.978 99.414 323 2HB PRO 47 HB1 PRO 47 3.927 55.085 100.842 324 1HG PRO 47 HG2 PRO 47 1.276 54.996 99.483 325 2HG PRO 47 HG1 PRO 47 2.079 53.756 100.461 326 1HD PRO 47 HD2 PRO 47 -0.008 55.468 101.326 327 2HD PRO 47 HD1 PRO 47 1.008 54.442 102.363 328 H LEU 48 HN LEU 48 0.536 58.013 101.152 329 HA LEU 48 HA LEU 48 1.411 59.877 98.985 330 1HB LEU 48 HB2 LEU 48 -1.024 58.335 99.459 331 2HB LEU 48 HB1 LEU 48 -1.364 60.043 99.179 332 HG LEU 48 HG LEU 48 0.671 59.071 97.348 333 1HD1 LEU 48 HD11 LEU 48 -2.005 57.648 97.410 334 2HD1 LEU 48 HD13 LEU 48 -0.919 57.637 96.020 335 3HD1 LEU 48 HD12 LEU 48 -0.409 56.913 97.545 336 1HD2 LEU 48 HD23 LEU 48 -2.123 60.204 96.990 337 2HD2 LEU 48 HD22 LEU 48 -0.625 61.133 97.036 338 3HD2 LEU 48 HD21 LEU 48 -0.934 60.024 95.700 339 H ALA 49 HN ALA 49 2.033 60.387 101.751 340 HA ALA 49 HA ALA 49 0.184 62.657 102.352 341 1HB ALA 49 HB3 ALA 49 0.394 60.866 104.107 342 2HB ALA 49 HB2 ALA 49 2.107 61.267 104.240 343 3HB ALA 49 HB1 ALA 49 0.885 62.464 104.669 344 HA PRO 50 HA PRO 50 3.554 65.393 101.623 345 1HB PRO 50 HB2 PRO 50 2.840 67.456 103.294 346 2HB PRO 50 HB1 PRO 50 2.031 67.126 101.751 347 1HG PRO 50 HG2 PRO 50 1.075 66.582 104.528 348 2HG PRO 50 HG1 PRO 50 0.135 66.901 103.061 349 1HD PRO 50 HD2 PRO 50 0.559 64.362 104.215 350 2HD PRO 50 HD1 PRO 50 -0.036 64.670 102.567 351 H ASN 51 HN ASN 51 2.807 64.246 104.810 352 HA ASN 51 HA ASN 51 5.415 65.193 105.876 353 1HB ASN 51 HB2 ASN 51 3.360 63.667 107.458 354 2HB ASN 51 HB1 ASN 51 4.543 64.846 108.029 355 1HD2 ASN 51 HD22 ASN 51 2.487 67.653 107.320 356 2HD2 ASN 51 HD21 ASN 51 4.041 67.128 107.755 357 HA PRO 52 HA PRO 52 6.956 61.078 105.107 358 1HB PRO 52 HB2 PRO 52 9.396 61.454 106.317 359 2HB PRO 52 HB1 PRO 52 9.006 62.049 104.694 360 1HG PRO 52 HG2 PRO 52 9.224 63.576 107.252 361 2HG PRO 52 HG1 PRO 52 9.512 64.120 105.591 362 1HD PRO 52 HD2 PRO 52 7.194 64.653 107.099 363 2HD PRO 52 HD1 PRO 52 7.345 64.818 105.335 364 H ALA 53 HN ALA 53 6.553 62.577 108.245 365 HA ALA 53 HA ALA 53 7.390 60.278 109.813 366 1HB ALA 53 HB3 ALA 53 6.788 62.929 110.364 367 2HB ALA 53 HB2 ALA 53 5.430 62.055 111.073 368 3HB ALA 53 HB1 ALA 53 7.078 61.674 111.569 369 H ASP 54 HN ASP 54 4.505 61.176 108.113 370 HA ASP 54 HA ASP 54 2.974 59.040 109.527 371 1HB ASP 54 HB2 ASP 54 2.228 61.541 108.093 372 2HB ASP 54 HB1 ASP 54 1.127 60.173 107.924 373 H LYS 55 HN LYS 55 5.065 59.017 107.167 374 HA LYS 55 HA LYS 55 3.626 58.021 104.884 375 1HB LYS 55 HB2 LYS 55 6.078 58.887 105.092 376 2HB LYS 55 HB1 LYS 55 6.456 57.224 105.536 377 1HG LYS 55 HG2 LYS 55 6.641 56.958 103.270 378 2HG LYS 55 HG1 LYS 55 4.886 56.797 103.358 379 1HD LYS 55 HD2 LYS 55 4.578 58.719 102.223 380 2HD LYS 55 HD1 LYS 55 5.674 59.593 103.292 381 1HE LYS 55 HE2 LYS 55 6.810 59.749 101.266 382 2HE LYS 55 HE1 LYS 55 7.537 58.295 101.951 383 1HZ LYS 55 HZ3 LYS 55 5.181 57.588 100.600 384 2HZ LYS 55 HZ2 LYS 55 6.124 58.547 99.561 385 3HZ LYS 55 HZ1 LYS 55 6.778 57.135 100.246 386 H CYS 56 HN CYS 56 5.582 55.543 104.872 387 HA CYS 56 HA CYS 56 3.628 53.770 106.238 388 1HB CYS 56 HB2 CYS 56 5.861 53.007 104.336 389 2HB CYS 56 HB1 CYS 56 4.555 51.972 104.906 390 H LYS 57 HN LYS 57 4.237 53.518 108.363 391 HA LYS 57 HA LYS 57 7.112 52.854 108.881 392 1HB LYS 57 HB2 LYS 57 5.069 54.039 110.792 393 2HB LYS 57 HB1 LYS 57 6.761 53.706 111.161 394 1HG LYS 57 HG2 LYS 57 6.957 55.219 108.868 395 2HG LYS 57 HG1 LYS 57 5.579 55.955 109.684 396 1HD LYS 57 HD2 LYS 57 6.887 56.863 111.284 397 2HD LYS 57 HD1 LYS 57 7.751 55.347 111.537 398 1HE LYS 57 HE2 LYS 57 9.220 57.203 110.697 399 2HE LYS 57 HE1 LYS 57 9.203 55.788 109.646 400 1HZ LYS 57 HZ1 LYS 57 7.101 57.434 108.865 401 2HZ LYS 57 HZ3 LYS 57 8.461 58.431 109.039 402 3HZ LYS 57 HZ2 LYS 57 8.525 57.084 108.006 403 H ALA 58 HN ALA 58 6.551 51.906 111.566 404 HA ALA 58 HA ALA 58 5.910 49.169 110.967 405 1HB ALA 58 HB1 ALA 58 6.259 50.718 113.536 406 2HB ALA 58 HB3 ALA 58 5.780 49.019 113.547 407 3HB ALA 58 HB2 ALA 58 7.323 49.496 112.838 No H/Q in entry = 407 Start of MODEL 7 1 1H ARG 1 HT1 ARG 1 20.145 66.177 85.046 2 2H ARG 1 HT3 ARG 1 21.130 65.276 84.000 3 3H ARG 1 HT2 ARG 1 20.322 66.654 83.425 4 HA ARG 1 HA ARG 1 18.618 65.410 82.814 5 1HB ARG 1 HB2 ARG 1 20.634 63.518 83.496 6 2HB ARG 1 HB1 ARG 1 19.098 62.888 84.096 7 1HG ARG 1 HG2 ARG 1 18.091 63.317 81.852 8 2HG ARG 1 HG1 ARG 1 19.679 63.815 81.267 9 1HD ARG 1 HD2 ARG 1 20.229 61.390 82.461 10 2HD ARG 1 HD1 ARG 1 18.631 61.113 81.768 11 HE ARG 1 HE ARG 1 19.604 61.233 79.617 12 1HH1 ARG 1 HH21 ARG 1 21.517 62.936 81.904 13 2HH1 ARG 1 HH22 ARG 1 22.938 62.947 80.917 14 1HH2 ARG 1 HH11 ARG 1 21.516 61.056 78.383 15 2HH2 ARG 1 HH12 ARG 1 22.937 61.884 78.922 16 HA PRO 2 HA PRO 2 16.563 65.911 86.852 17 1HB PRO 2 HB2 PRO 2 14.558 67.505 85.851 18 2HB PRO 2 HB1 PRO 2 16.124 68.130 86.399 19 1HG PRO 2 HG2 PRO 2 15.113 67.788 83.616 20 2HG PRO 2 HG1 PRO 2 16.330 68.916 84.237 21 1HD PRO 2 HD2 PRO 2 16.851 66.512 82.826 22 2HD PRO 2 HD1 PRO 2 18.043 67.487 83.714 23 H CYS 3 HN CYS 3 15.647 63.851 87.088 24 HA CYS 3 HA CYS 3 13.748 62.811 85.121 25 1HB CYS 3 HB2 CYS 3 15.373 61.428 86.555 26 2HB CYS 3 HB1 CYS 3 14.244 61.692 87.884 27 H GLN 4 HN GLN 4 11.871 64.028 85.094 28 HA GLN 4 HA GLN 4 10.607 65.270 87.291 29 1HB GLN 4 HB2 GLN 4 10.082 65.333 84.709 30 2HB GLN 4 HB1 GLN 4 8.964 64.028 85.107 31 1HG GLN 4 HG2 GLN 4 7.552 65.409 86.246 32 2HG GLN 4 HG1 GLN 4 8.874 66.356 86.930 33 1HE2 GLN 4 HE22 GLN 4 8.059 67.334 83.029 34 2HE2 GLN 4 HE21 GLN 4 8.307 65.710 83.455 35 H CYS 5 HN CYS 5 9.961 64.271 89.135 36 HA CYS 5 HA CYS 5 7.988 62.211 89.157 37 1HB CYS 5 HB2 CYS 5 9.943 60.847 88.370 38 2HB CYS 5 HB1 CYS 5 10.771 61.242 89.877 39 H ASN 6 HN ASN 6 7.366 61.667 91.354 40 HA ASN 6 HA ASN 6 8.852 63.045 93.519 41 1HB ASN 6 HB2 ASN 6 5.914 63.522 92.915 42 2HB ASN 6 HB1 ASN 6 6.763 64.111 94.344 43 1HD2 ASN 6 HD22 ASN 6 7.093 66.157 90.883 44 2HD2 ASN 6 HD21 ASN 6 6.042 64.834 91.051 45 H ASP 7 HN ASP 7 6.652 62.636 95.412 46 HA ASP 7 HA ASP 7 5.567 60.922 96.620 47 1HB ASP 7 HB2 ASP 7 6.661 58.874 94.696 48 2HB ASP 7 HB1 ASP 7 5.189 58.803 95.665 49 H ASN 8 HN ASN 8 7.137 58.161 96.449 50 HA ASN 8 HA ASN 8 9.023 58.928 98.587 51 1HB ASN 8 HB2 ASN 8 8.295 56.205 97.478 52 2HB ASN 8 HB1 ASN 8 9.263 56.502 98.918 53 1HD2 ASN 8 HD22 ASN 8 5.211 57.152 99.069 54 2HD2 ASN 8 HD21 ASN 8 5.985 57.061 97.561 55 H ILE 9 HN ILE 9 10.342 60.105 96.894 56 HA ILE 9 HA ILE 9 12.473 58.272 95.941 57 HB ILE 9 HB ILE 9 12.559 59.706 93.804 58 1HG1 ILE 9 HG12 ILE 9 9.779 60.235 93.660 59 2HG1 ILE 9 HG11 ILE 9 10.330 60.901 95.197 60 1HG2 ILE 9 HG23 ILE 9 10.997 57.415 94.525 61 2HG2 ILE 9 HG22 ILE 9 10.066 58.375 93.376 62 3HG2 ILE 9 HG21 ILE 9 11.682 57.813 92.949 63 1HD1 ILE 9 HD12 ILE 9 12.012 61.400 92.778 64 2HD1 ILE 9 HD11 ILE 9 10.509 62.308 92.940 65 3HD1 ILE 9 HD13 ILE 9 11.749 62.423 94.191 66 H ASP 10 HN ASP 10 14.545 59.331 95.911 67 HA ASP 10 HA ASP 10 14.502 62.001 97.263 68 1HB ASP 10 HB2 ASP 10 16.221 59.584 97.588 69 2HB ASP 10 HB1 ASP 10 16.964 61.164 97.842 70 HA PRO 11 HA PRO 11 16.794 63.649 93.878 71 1HB PRO 11 HB2 PRO 11 18.061 65.709 95.186 72 2HB PRO 11 HB1 PRO 11 16.341 65.739 94.757 73 1HG PRO 11 HG2 PRO 11 17.608 65.301 97.427 74 2HG PRO 11 HG1 PRO 11 16.024 65.990 97.038 75 1HD PRO 11 HD2 PRO 11 16.483 63.364 97.952 76 2HD PRO 11 HD1 PRO 11 14.989 63.954 97.188 77 H ASN 12 HN ASN 12 18.359 62.537 96.778 78 HA ASN 12 HA ASN 12 21.084 62.930 95.838 79 1HB ASN 12 HB2 ASN 12 19.915 61.308 98.104 80 2HB ASN 12 HB1 ASN 12 21.647 61.423 97.788 81 1HD2 ASN 12 HD22 ASN 12 21.733 64.978 98.596 82 2HD2 ASN 12 HD21 ASN 12 22.366 63.892 97.454 83 H ALA 13 HN ALA 13 18.819 60.149 95.661 84 HA ALA 13 HA ALA 13 20.687 58.135 95.050 85 1HB ALA 13 HB2 ALA 13 17.907 58.545 93.906 86 2HB ALA 13 HB1 ALA 13 18.832 57.048 93.795 87 3HB ALA 13 HB3 ALA 13 18.309 57.647 95.369 88 H VAL 14 HN VAL 14 20.315 57.198 92.490 89 HA VAL 14 HA VAL 14 21.645 59.351 90.905 90 HB VAL 14 HB VAL 14 21.595 56.342 90.521 91 1HG1 VAL 14 HG11 VAL 14 22.568 58.609 88.855 92 2HG1 VAL 14 HG13 VAL 14 23.629 57.207 88.983 93 3HG1 VAL 14 HG12 VAL 14 21.989 57.018 88.361 94 1HG2 VAL 14 HG23 VAL 14 23.124 58.025 92.228 95 2HG2 VAL 14 HG22 VAL 14 23.374 56.309 91.905 96 3HG2 VAL 14 HG21 VAL 14 24.191 57.520 90.918 97 H GLY 15 HN GLY 15 19.488 60.315 90.422 98 1HA GLY 15 HA2 GLY 15 18.020 60.743 88.588 99 2HA GLY 15 HA1 GLY 15 18.378 59.128 87.966 100 H ASN 16 HN ASN 16 17.876 57.808 90.543 101 HA ASN 16 HA ASN 16 16.095 56.851 91.708 102 1HB ASN 16 HB2 ASN 16 14.739 59.471 91.024 103 2HB ASN 16 HB1 ASN 16 14.134 58.287 92.180 104 1HD2 ASN 16 HD22 ASN 16 17.438 60.526 93.154 105 2HD2 ASN 16 HD21 ASN 16 16.986 60.368 91.526 106 H CYS 17 HN CYS 17 16.058 57.324 88.428 107 HA CYS 17 HA CYS 17 13.471 55.868 88.192 108 1HB CYS 17 HB2 CYS 17 14.630 57.587 86.003 109 2HB CYS 17 HB1 CYS 17 12.976 57.002 86.175 110 H ASN 18 HN ASN 18 13.494 54.781 85.829 111 HA ASN 18 HA ASN 18 15.939 53.092 85.817 112 1HB ASN 18 HB2 ASN 18 13.865 52.491 83.808 113 2HB ASN 18 HB1 ASN 18 14.677 51.408 84.910 114 1HD2 ASN 18 HD22 ASN 18 11.755 51.136 86.827 115 2HD2 ASN 18 HD21 ASN 18 13.123 50.387 86.164 116 H ARG 19 HN ARG 19 17.504 53.332 84.219 117 HA ARG 19 HA ARG 19 17.355 55.587 82.436 118 1HB ARG 19 HB2 ARG 19 19.370 53.925 83.378 119 2HB ARG 19 HB1 ARG 19 19.289 53.537 81.659 120 1HG ARG 19 HG2 ARG 19 20.058 55.585 81.030 121 2HG ARG 19 HG1 ARG 19 19.135 56.421 82.281 122 1HD ARG 19 HD2 ARG 19 20.792 56.145 83.885 123 2HD ARG 19 HD1 ARG 19 21.450 54.706 83.107 124 HE ARG 19 HE ARG 19 21.873 56.873 81.336 125 1HH1 ARG 19 HH11 ARG 19 22.328 57.193 84.600 126 2HH1 ARG 19 HH12 ARG 19 24.049 57.374 84.545 127 1HH2 ARG 19 HH21 ARG 19 24.298 56.504 81.196 128 2HH2 ARG 19 HH22 ARG 19 25.166 56.985 82.616 129 H LEU 20 HN LEU 20 16.450 52.221 82.086 130 HA LEU 20 HA LEU 20 16.261 52.538 79.141 131 1HB LEU 20 HB2 LEU 20 15.521 50.069 79.319 132 2HB LEU 20 HB1 LEU 20 17.199 50.450 79.702 133 HG LEU 20 HG LEU 20 15.286 50.612 81.966 134 1HD1 LEU 20 HD12 LEU 20 15.154 48.374 80.293 135 2HD1 LEU 20 HD11 LEU 20 16.225 47.879 81.605 136 3HD1 LEU 20 HD13 LEU 20 14.599 48.463 81.965 137 1HD2 LEU 20 HD21 LEU 20 18.114 50.300 81.460 138 2HD2 LEU 20 HD23 LEU 20 17.299 50.666 82.980 139 3HD2 LEU 20 HD22 LEU 20 17.543 48.989 82.492 140 H THR 21 HN THR 21 14.113 52.056 81.949 141 HA THR 21 HA THR 21 11.765 51.987 80.156 142 HB THR 21 HB THR 21 10.985 52.217 82.885 143 HG1 THR 21 HG1 THR 21 12.705 50.051 82.678 144 1HG2 THR 21 HG21 THR 21 10.656 50.505 80.607 145 2HG2 THR 21 HG23 THR 21 10.955 49.508 82.031 146 3HG2 THR 21 HG22 THR 21 9.617 50.657 82.023 147 H GLY 22 HN GLY 22 13.228 54.138 82.574 148 1HA GLY 22 HA2 GLY 22 13.036 56.511 82.650 149 2HA GLY 22 HA1 GLY 22 11.850 56.424 81.343 150 H GLU 23 HN GLU 23 12.180 55.550 84.822 151 HA GLU 23 HA GLU 23 9.719 56.881 85.508 152 1HB GLU 23 HB2 GLU 23 9.291 54.435 84.322 153 2HB GLU 23 HB1 GLU 23 9.339 54.008 86.033 154 1HG GLU 23 HG2 GLU 23 7.040 54.601 85.307 155 2HG GLU 23 HG1 GLU 23 7.646 55.722 86.527 156 H CYS 24 HN CYS 24 9.285 56.690 87.822 157 HA CYS 24 HA CYS 24 11.639 56.572 89.439 158 1HB CYS 24 HB2 CYS 24 8.748 56.963 89.851 159 2HB CYS 24 HB1 CYS 24 9.580 56.243 91.232 160 H LEU 25 HN LEU 25 12.742 54.691 89.817 161 HA LEU 25 HA LEU 25 11.103 52.361 90.665 162 1HB LEU 25 HB2 LEU 25 12.387 50.787 89.424 163 2HB LEU 25 HB1 LEU 25 11.910 52.062 88.322 164 HG LEU 25 HG LEU 25 14.096 51.871 87.698 165 1HD1 LEU 25 HD12 LEU 25 13.888 54.145 88.585 166 2HD1 LEU 25 HD11 LEU 25 14.463 53.595 90.153 167 3HD1 LEU 25 HD13 LEU 25 15.528 53.533 88.753 168 1HD2 LEU 25 HD23 LEU 25 14.260 50.301 90.007 169 2HD2 LEU 25 HD22 LEU 25 15.461 50.452 88.724 170 3HD2 LEU 25 HD21 LEU 25 15.555 51.492 90.145 171 H LYS 26 HN LYS 26 12.274 54.215 92.391 172 HA LYS 26 HA LYS 26 14.037 52.393 93.923 173 1HB LYS 26 HB2 LYS 26 15.331 54.149 92.399 174 2HB LYS 26 HB1 LYS 26 14.923 55.240 93.726 175 1HG LYS 26 HG2 LYS 26 15.842 53.384 95.275 176 2HG LYS 26 HG1 LYS 26 16.581 52.723 93.815 177 1HD LYS 26 HD2 LYS 26 17.157 55.461 93.716 178 2HD LYS 26 HD1 LYS 26 17.398 55.018 95.406 179 1HE LYS 26 HE2 LYS 26 18.519 53.286 93.214 180 2HE LYS 26 HE1 LYS 26 19.387 54.730 93.736 181 1HZ LYS 26 HZ3 LYS 26 19.074 53.810 96.070 182 2HZ LYS 26 HZ2 LYS 26 18.676 52.338 95.320 183 3HZ LYS 26 HZ1 LYS 26 20.208 53.032 95.077 184 H CYS 27 HN CYS 27 11.689 52.598 94.956 185 HA CYS 27 HA CYS 27 10.776 54.951 96.198 186 1HB CYS 27 HB2 CYS 27 10.624 52.103 97.236 187 2HB CYS 27 HB1 CYS 27 9.630 53.446 97.797 188 H ILE 28 HN ILE 28 11.159 55.889 98.243 189 HA ILE 28 HA ILE 28 13.759 55.106 99.452 190 HB ILE 28 HB ILE 28 13.084 57.482 100.644 191 1HG1 ILE 28 HG12 ILE 28 12.436 57.840 97.722 192 2HG1 ILE 28 HG11 ILE 28 11.170 57.573 98.919 193 1HG2 ILE 28 HG22 ILE 28 14.977 56.456 98.737 194 2HG2 ILE 28 HG21 ILE 28 14.523 58.097 98.281 195 3HG2 ILE 28 HG23 ILE 28 15.180 57.778 99.885 196 1HD1 ILE 28 HD12 ILE 28 13.245 59.772 99.066 197 2HD1 ILE 28 HD11 ILE 28 11.583 59.990 98.517 198 3HD1 ILE 28 HD13 ILE 28 11.907 59.525 100.187 199 H TYR 29 HN TYR 29 10.716 56.463 100.681 200 HA TYR 29 HA TYR 29 11.230 55.463 103.352 201 1HB TYR 29 HB2 TYR 29 8.649 56.562 102.220 202 2HB TYR 29 HB1 TYR 29 9.089 56.441 103.925 203 HD1 TYR 29 HD1 TYR 29 11.560 57.488 104.414 204 HD2 TYR 29 HD2 TYR 29 8.893 58.667 101.261 205 HE1 TYR 29 HE1 TYR 29 12.693 59.687 104.279 206 HE2 TYR 29 HE2 TYR 29 10.026 60.868 101.125 207 HH TYR 29 HH TYR 29 12.899 61.576 103.087 208 H ASN 30 HN ASN 30 11.402 53.116 102.262 209 HA ASN 30 HA ASN 30 10.438 50.998 101.896 210 1HB ASN 30 HB2 ASN 30 9.121 52.030 104.419 211 2HB ASN 30 HB1 ASN 30 9.017 50.354 103.883 212 1HD2 ASN 30 HD22 ASN 30 12.372 51.618 105.744 213 2HD2 ASN 30 HD21 ASN 30 11.002 52.609 105.590 214 H THR 31 HN THR 31 9.239 52.308 100.001 215 HA THR 31 HA THR 31 6.323 51.753 100.408 216 HB THR 31 HB THR 31 5.765 53.574 98.922 217 HG1 THR 31 HG1 THR 31 7.544 53.380 97.531 218 1HG2 THR 31 HG22 THR 31 6.756 53.919 101.418 219 2HG2 THR 31 HG21 THR 31 7.857 54.951 100.506 220 3HG2 THR 31 HG23 THR 31 6.118 55.240 100.441 221 H ALA 32 HN ALA 32 5.257 50.723 98.645 222 HA ALA 32 HA ALA 32 7.147 49.523 96.665 223 1HB ALA 32 HB2 ALA 32 5.137 48.375 98.391 224 2HB ALA 32 HB1 ALA 32 4.742 48.042 96.705 225 3HB ALA 32 HB3 ALA 32 6.307 47.555 97.357 226 H GLY 33 HN GLY 33 5.302 48.502 94.880 227 1HA GLY 33 HA2 GLY 33 3.636 49.117 93.278 228 2HA GLY 33 HA1 GLY 33 3.569 50.727 93.991 229 H PHE 34 HN PHE 34 3.960 49.895 91.157 230 HA PHE 34 HA PHE 34 6.614 50.185 90.277 231 1HB PHE 34 HB2 PHE 34 4.553 49.682 88.858 232 2HB PHE 34 HB1 PHE 34 4.217 51.410 88.872 233 HD1 PHE 34 HD1 PHE 34 7.721 50.936 89.024 234 HD2 PHE 34 HD2 PHE 34 4.419 50.834 86.273 235 HE1 PHE 34 HE1 PHE 34 9.287 51.245 87.134 236 HE2 PHE 34 HE2 PHE 34 5.992 51.146 84.385 237 HZ PHE 34 HZ PHE 34 8.424 51.350 84.813 238 H TYR 35 HN TYR 35 4.379 52.664 91.461 239 HA TYR 35 HA TYR 35 6.540 54.686 91.018 240 1HB TYR 35 HB2 TYR 35 3.534 55.096 91.107 241 2HB TYR 35 HB1 TYR 35 4.729 56.382 90.938 242 HD1 TYR 35 HD2 TYR 35 3.319 53.351 89.317 243 HD2 TYR 35 HD1 TYR 35 5.803 56.823 88.849 244 HE1 TYR 35 HE2 TYR 35 3.387 52.972 86.868 245 HE2 TYR 35 HE1 TYR 35 5.871 56.444 86.400 246 HH TYR 35 HH TYR 35 4.791 55.326 84.686 247 H CYS 36 HN CYS 36 6.346 52.962 93.330 248 HA CYS 36 HA CYS 36 6.239 53.067 95.677 249 1HB CYS 36 HB2 CYS 36 6.742 56.013 95.175 250 2HB CYS 36 HB1 CYS 36 7.131 55.101 96.632 251 H ASP 37 HN ASP 37 3.733 52.947 94.718 252 HA ASP 37 HA ASP 37 2.226 55.210 95.944 253 1HB ASP 37 HB2 ASP 37 1.885 53.914 93.536 254 2HB ASP 37 HB1 ASP 37 0.678 53.135 94.560 255 H ARG 38 HN ARG 38 3.375 52.251 96.916 256 HA ARG 38 HA ARG 38 1.086 51.937 98.798 257 1HB ARG 38 HB2 ARG 38 2.498 49.868 97.127 258 2HB ARG 38 HB1 ARG 38 1.783 49.405 98.667 259 1HG ARG 38 HG2 ARG 38 -0.361 50.541 97.846 260 2HG ARG 38 HG1 ARG 38 0.394 50.571 96.252 261 1HD ARG 38 HD2 ARG 38 -0.001 48.373 95.927 262 2HD ARG 38 HD1 ARG 38 0.642 47.955 97.515 263 HE ARG 38 HE ARG 38 -2.177 48.860 97.071 264 1HH1 ARG 38 HH21 ARG 38 -1.336 48.952 99.890 265 2HH1 ARG 38 HH22 ARG 38 -1.728 47.366 100.469 266 1HH2 ARG 38 HH11 ARG 38 -1.998 45.986 97.299 267 2HH2 ARG 38 HH12 ARG 38 -2.102 45.688 99.002 268 H CYS 39 HN CYS 39 2.059 50.140 100.505 269 HA CYS 39 HA CYS 39 4.628 51.320 101.466 270 1HB CYS 39 HB2 CYS 39 2.435 49.951 103.058 271 2HB CYS 39 HB1 CYS 39 3.875 50.693 103.739 272 H LYS 40 HN LYS 40 6.359 49.895 101.467 273 HA LYS 40 HA LYS 40 6.164 47.267 100.442 274 1HB LYS 40 HB2 LYS 40 8.314 48.274 100.426 275 2HB LYS 40 HB1 LYS 40 8.242 48.644 102.149 276 1HG LYS 40 HG2 LYS 40 8.305 46.225 102.667 277 2HG LYS 40 HG1 LYS 40 8.405 45.865 100.944 278 1HD LYS 40 HD2 LYS 40 10.396 47.819 101.920 279 2HD LYS 40 HD1 LYS 40 10.582 46.185 102.561 280 1HE LYS 40 HE2 LYS 40 10.088 45.669 99.918 281 2HE LYS 40 HE1 LYS 40 10.984 47.185 99.814 282 1HZ LYS 40 HZ1 LYS 40 12.291 45.672 101.704 283 2HZ LYS 40 HZ3 LYS 40 11.929 44.586 100.452 284 3HZ LYS 40 HZ2 LYS 40 12.812 45.998 100.120 285 H GLU 41 HN GLU 41 6.265 45.205 101.500 286 HA GLU 41 HA GLU 41 4.579 44.897 103.772 287 1HB GLU 41 HB2 GLU 41 6.540 43.094 102.368 288 2HB GLU 41 HB1 GLU 41 5.755 42.563 103.856 289 1HG GLU 41 HG2 GLU 41 4.290 41.794 102.186 290 2HG GLU 41 HG1 GLU 41 3.552 43.314 102.691 291 H GLY 42 HN GLY 42 5.028 45.260 105.911 292 1HA GLY 42 HA2 GLY 42 6.669 44.648 107.761 293 2HA GLY 42 HA1 GLY 42 7.912 45.344 106.710 294 H PHE 43 HN PHE 43 6.163 47.418 105.689 295 HA PHE 43 HA PHE 43 5.721 49.025 108.144 296 1HB PHE 43 HB2 PHE 43 6.647 50.392 105.658 297 2HB PHE 43 HB1 PHE 43 6.800 50.871 107.350 298 HD1 PHE 43 HD1 PHE 43 8.025 48.439 104.802 299 HD2 PHE 43 HD2 PHE 43 8.745 50.294 108.610 300 HE1 PHE 43 HE1 PHE 43 10.292 47.435 104.862 301 HE2 PHE 43 HE2 PHE 43 11.012 49.288 108.670 302 HZ PHE 43 HZ PHE 43 11.785 47.858 106.796 303 H PHE 44 HN PHE 44 3.830 49.884 108.190 304 HA PHE 44 HA PHE 44 2.173 50.020 105.704 305 1HB PHE 44 HB2 PHE 44 0.767 50.131 108.305 306 2HB PHE 44 HB1 PHE 44 0.359 49.228 106.848 307 HD1 PHE 44 HD1 PHE 44 2.296 49.203 109.983 308 HD2 PHE 44 HD2 PHE 44 1.245 46.988 106.457 309 HE1 PHE 44 HE1 PHE 44 3.207 47.138 111.010 310 HE2 PHE 44 HE2 PHE 44 2.155 44.921 107.483 311 HZ PHE 44 HZ PHE 44 3.138 44.997 109.761 312 H GLY 45 HN GLY 45 0.353 51.804 106.051 313 1HA GLY 45 HA2 GLY 45 0.100 53.953 107.497 314 2HA GLY 45 HA1 GLY 45 1.786 54.217 107.064 315 H ASN 46 HN ASN 46 1.478 56.066 105.862 316 HA ASN 46 HA ASN 46 -0.026 55.691 103.303 317 1HB ASN 46 HB2 ASN 46 -0.098 57.969 105.257 318 2HB ASN 46 HB1 ASN 46 -0.365 58.285 103.543 319 1HD2 ASN 46 HD22 ASN 46 -3.724 57.577 104.859 320 2HD2 ASN 46 HD21 ASN 46 -2.579 58.827 104.928 321 HA PRO 47 HA PRO 47 4.129 56.809 102.009 322 1HB PRO 47 HB2 PRO 47 3.758 56.036 99.397 323 2HB PRO 47 HB1 PRO 47 4.164 54.913 100.706 324 1HG PRO 47 HG2 PRO 47 1.545 55.336 99.335 325 2HG PRO 47 HG1 PRO 47 2.177 53.881 100.124 326 1HD PRO 47 HD2 PRO 47 0.287 55.660 101.228 327 2HD PRO 47 HD1 PRO 47 1.203 54.430 102.127 328 H LEU 48 HN LEU 48 1.151 58.192 101.303 329 HA LEU 48 HA LEU 48 2.424 60.259 99.548 330 1HB LEU 48 HB2 LEU 48 -0.052 58.815 99.301 331 2HB LEU 48 HB1 LEU 48 -0.403 60.533 99.503 332 HG LEU 48 HG LEU 48 1.585 59.413 97.505 333 1HD1 LEU 48 HD11 LEU 48 -1.022 59.024 97.237 334 2HD1 LEU 48 HD13 LEU 48 -1.004 60.719 96.750 335 3HD1 LEU 48 HD12 LEU 48 -0.047 59.535 95.859 336 1HD2 LEU 48 HD21 LEU 48 1.625 61.877 98.568 337 2HD2 LEU 48 HD23 LEU 48 1.998 61.590 96.867 338 3HD2 LEU 48 HD22 LEU 48 0.391 62.144 97.336 339 H ALA 49 HN ALA 49 2.728 60.326 102.387 340 HA ALA 49 HA ALA 49 0.820 62.455 103.230 341 1HB ALA 49 HB2 ALA 49 1.825 60.226 104.580 342 2HB ALA 49 HB1 ALA 49 2.741 61.581 105.242 343 3HB ALA 49 HB3 ALA 49 0.978 61.590 105.312 344 HA PRO 50 HA PRO 50 3.997 65.466 102.835 345 1HB PRO 50 HB2 PRO 50 3.123 67.273 104.721 346 2HB PRO 50 HB1 PRO 50 2.363 67.077 103.132 347 1HG PRO 50 HG2 PRO 50 1.403 66.142 105.803 348 2HG PRO 50 HG1 PRO 50 0.466 66.582 104.364 349 1HD PRO 50 HD2 PRO 50 1.015 63.951 105.199 350 2HD PRO 50 HD1 PRO 50 0.459 64.429 103.580 351 H ASN 51 HN ASN 51 3.201 64.094 105.959 352 HA ASN 51 HA ASN 51 5.855 64.905 107.037 353 1HB ASN 51 HB2 ASN 51 3.245 64.509 108.199 354 2HB ASN 51 HB1 ASN 51 4.407 63.432 108.974 355 1HD2 ASN 51 HD22 ASN 51 5.211 67.473 109.149 356 2HD2 ASN 51 HD21 ASN 51 4.470 66.841 107.758 357 HA PRO 52 HA PRO 52 7.259 60.783 106.196 358 1HB PRO 52 HB2 PRO 52 9.580 60.921 107.668 359 2HB PRO 52 HB1 PRO 52 9.387 61.653 106.066 360 1HG PRO 52 HG2 PRO 52 9.428 62.972 108.743 361 2HG PRO 52 HG1 PRO 52 9.901 63.619 107.163 362 1HD PRO 52 HD2 PRO 52 7.477 64.171 108.489 363 2HD PRO 52 HD1 PRO 52 7.808 64.461 106.766 364 H ALA 53 HN ALA 53 6.559 62.045 109.373 365 HA ALA 53 HA ALA 53 7.121 59.586 110.823 366 1HB ALA 53 HB2 ALA 53 5.372 61.957 111.559 367 2HB ALA 53 HB1 ALA 53 5.865 60.673 112.662 368 3HB ALA 53 HB3 ALA 53 7.074 61.760 111.981 369 H ASP 54 HN ASP 54 4.458 60.832 108.955 370 HA ASP 54 HA ASP 54 2.751 58.564 109.888 371 1HB ASP 54 HB2 ASP 54 2.174 61.299 108.837 372 2HB ASP 54 HB1 ASP 54 1.037 60.015 108.427 373 H LYS 55 HN LYS 55 5.010 58.470 107.921 374 HA LYS 55 HA LYS 55 3.716 58.087 105.322 375 1HB LYS 55 HB2 LYS 55 6.195 58.837 105.930 376 2HB LYS 55 HB1 LYS 55 6.484 57.099 105.900 377 1HG LYS 55 HG2 LYS 55 6.117 56.945 103.634 378 2HG LYS 55 HG1 LYS 55 4.905 58.227 103.642 379 1HD LYS 55 HD2 LYS 55 7.280 59.500 104.402 380 2HD LYS 55 HD1 LYS 55 7.757 58.404 103.104 381 1HE LYS 55 HE2 LYS 55 6.330 59.414 101.549 382 2HE LYS 55 HE1 LYS 55 5.297 60.105 102.802 383 1HZ LYS 55 HZ3 LYS 55 7.824 61.127 103.235 384 2HZ LYS 55 HZ2 LYS 55 7.580 61.225 101.556 385 3HZ LYS 55 HZ1 LYS 55 6.477 61.954 102.624 386 H CYS 56 HN CYS 56 5.554 55.669 104.849 387 HA CYS 56 HA CYS 56 3.620 53.654 105.831 388 1HB CYS 56 HB2 CYS 56 5.965 53.442 103.909 389 2HB CYS 56 HB1 CYS 56 4.898 52.107 104.330 390 H LYS 57 HN LYS 57 4.339 53.793 108.097 391 HA LYS 57 HA LYS 57 7.039 52.582 108.537 392 1HB LYS 57 HB2 LYS 57 5.446 54.190 110.544 393 2HB LYS 57 HB1 LYS 57 7.147 53.733 110.635 394 1HG LYS 57 HG2 LYS 57 7.708 55.171 108.781 395 2HG LYS 57 HG1 LYS 57 6.005 55.495 108.453 396 1HD LYS 57 HD2 LYS 57 6.502 57.378 109.692 397 2HD LYS 57 HD1 LYS 57 6.053 56.287 111.003 398 1HE LYS 57 HE2 LYS 57 8.580 55.610 110.965 399 2HE LYS 57 HE1 LYS 57 8.798 57.143 110.119 400 1HZ LYS 57 HZ1 LYS 57 7.095 57.428 112.382 401 2HZ LYS 57 HZ3 LYS 57 8.598 56.784 112.831 402 3HZ LYS 57 HZ2 LYS 57 8.524 58.262 111.997 403 H ALA 58 HN ALA 58 7.108 51.310 110.679 404 HA ALA 58 HA ALA 58 5.307 49.120 110.538 405 1HB ALA 58 HB1 ALA 58 7.643 49.381 111.728 406 2HB ALA 58 HB3 ALA 58 6.663 49.841 113.119 407 3HB ALA 58 HB2 ALA 58 6.451 48.254 112.378 No H/Q in entry = 407 Start of MODEL 8 1 1H ARG 1 HT2 ARG 1 9.306 67.000 81.241 2 2H ARG 1 HT1 ARG 1 8.659 68.469 81.799 3 3H ARG 1 HT3 ARG 1 10.036 68.472 80.809 4 HA ARG 1 HA ARG 1 11.142 68.674 82.736 5 1HB ARG 1 HB2 ARG 1 10.088 67.665 84.886 6 2HB ARG 1 HB1 ARG 1 9.322 69.089 84.182 7 1HG ARG 1 HG2 ARG 1 7.405 67.939 83.949 8 2HG ARG 1 HG1 ARG 1 8.228 66.790 82.893 9 1HD ARG 1 HD2 ARG 1 8.058 65.218 84.493 10 2HD ARG 1 HD1 ARG 1 9.040 66.218 85.562 11 HE ARG 1 HE ARG 1 6.958 67.196 86.440 12 1HH1 ARG 1 HH11 ARG 1 6.966 63.982 85.630 13 2HH1 ARG 1 HH12 ARG 1 5.245 63.795 85.553 14 1HH2 ARG 1 HH21 ARG 1 4.602 67.198 85.763 15 2HH2 ARG 1 HH22 ARG 1 3.905 65.618 85.626 16 HA PRO 2 HA PRO 2 13.159 64.776 82.776 17 1HB PRO 2 HB2 PRO 2 14.574 64.959 85.128 18 2HB PRO 2 HB1 PRO 2 15.006 65.844 83.655 19 1HG PRO 2 HG2 PRO 2 13.705 66.859 86.145 20 2HG PRO 2 HG1 PRO 2 14.730 67.718 84.983 21 1HD PRO 2 HD2 PRO 2 11.922 67.893 85.121 22 2HD PRO 2 HD1 PRO 2 12.926 68.409 83.749 23 H CYS 3 HN CYS 3 13.569 62.813 84.339 24 HA CYS 3 HA CYS 3 11.040 61.877 85.294 25 1HB CYS 3 HB2 CYS 3 12.982 60.443 84.543 26 2HB CYS 3 HB1 CYS 3 13.764 60.816 86.080 27 H GLN 4 HN GLN 4 10.237 63.370 86.844 28 HA GLN 4 HA GLN 4 11.689 63.304 89.461 29 1HB GLN 4 HB2 GLN 4 10.876 65.590 87.857 30 2HB GLN 4 HB1 GLN 4 10.121 65.631 89.451 31 1HG GLN 4 HG2 GLN 4 12.648 64.904 90.136 32 2HG GLN 4 HG1 GLN 4 12.977 65.889 88.709 33 1HE2 GLN 4 HE22 GLN 4 12.320 68.917 90.374 34 2HE2 GLN 4 HE21 GLN 4 12.936 68.136 88.998 35 H CYS 5 HN CYS 5 10.356 61.632 90.307 36 HA CYS 5 HA CYS 5 7.444 62.303 90.488 37 1HB CYS 5 HB2 CYS 5 7.913 59.605 91.306 38 2HB CYS 5 HB1 CYS 5 7.009 60.172 89.907 39 H ASN 6 HN ASN 6 7.800 63.659 92.366 40 HA ASN 6 HA ASN 6 9.192 63.282 94.676 41 1HB ASN 6 HB2 ASN 6 6.285 64.072 94.407 42 2HB ASN 6 HB1 ASN 6 7.171 64.187 95.928 43 1HD2 ASN 6 HD22 ASN 6 7.644 67.068 93.167 44 2HD2 ASN 6 HD21 ASN 6 6.450 65.868 93.049 45 H ASP 7 HN ASP 7 5.902 62.422 95.454 46 HA ASP 7 HA ASP 7 5.167 60.655 96.828 47 1HB ASP 7 HB2 ASP 7 6.433 59.450 94.393 48 2HB ASP 7 HB1 ASP 7 5.861 58.381 95.674 49 H ASN 8 HN ASN 8 7.886 58.682 95.858 50 HA ASN 8 HA ASN 8 9.278 59.211 98.436 51 1HB ASN 8 HB2 ASN 8 8.689 56.374 97.625 52 2HB ASN 8 HB1 ASN 8 9.122 57.005 99.212 53 1HD2 ASN 8 HD22 ASN 8 5.774 58.276 99.836 54 2HD2 ASN 8 HD21 ASN 8 7.399 58.711 100.064 55 H ILE 9 HN ILE 9 10.621 60.136 96.527 56 HA ILE 9 HA ILE 9 12.649 58.073 95.874 57 HB ILE 9 HB ILE 9 12.845 58.853 93.557 58 1HG1 ILE 9 HG12 ILE 9 10.688 60.242 92.846 59 2HG1 ILE 9 HG11 ILE 9 10.794 60.798 94.518 60 1HG2 ILE 9 HG22 ILE 9 10.746 57.310 94.619 61 2HG2 ILE 9 HG21 ILE 9 9.990 58.371 93.432 62 3HG2 ILE 9 HG23 ILE 9 11.316 57.315 92.951 63 1HD1 ILE 9 HD12 ILE 9 13.177 60.813 92.655 64 2HD1 ILE 9 HD11 ILE 9 12.071 62.182 92.774 65 3HD1 ILE 9 HD13 ILE 9 12.992 61.667 94.187 66 H ASP 10 HN ASP 10 14.705 59.155 95.203 67 HA ASP 10 HA ASP 10 14.981 61.756 96.639 68 1HB ASP 10 HB2 ASP 10 16.930 59.537 96.007 69 2HB ASP 10 HB1 ASP 10 17.477 61.131 96.528 70 HA PRO 11 HA PRO 11 15.443 63.268 92.414 71 1HB PRO 11 HB2 PRO 11 15.071 65.896 93.109 72 2HB PRO 11 HB1 PRO 11 13.745 64.753 92.838 73 1HG PRO 11 HG2 PRO 11 14.790 65.845 95.408 74 2HG PRO 11 HG1 PRO 11 13.168 65.251 95.019 75 1HD PRO 11 HD2 PRO 11 15.148 63.832 96.450 76 2HD PRO 11 HD1 PRO 11 13.665 63.140 95.758 77 H ASN 12 HN ASN 12 17.394 63.668 95.135 78 HA ASN 12 HA ASN 12 19.202 65.680 94.036 79 1HB ASN 12 HB2 ASN 12 19.742 63.691 96.263 80 2HB ASN 12 HB1 ASN 12 20.605 65.198 95.955 81 1HD2 ASN 12 HD22 ASN 12 17.467 67.064 96.866 82 2HD2 ASN 12 HD21 ASN 12 18.368 66.914 95.435 83 H ALA 13 HN ALA 13 19.937 62.293 94.956 84 HA ALA 13 HA ALA 13 22.165 62.102 93.173 85 1HB ALA 13 HB3 ALA 13 21.588 60.589 95.171 86 2HB ALA 13 HB2 ALA 13 20.486 59.755 94.075 87 3HB ALA 13 HB1 ALA 13 22.215 59.788 93.730 88 H VAL 14 HN VAL 14 22.262 60.713 91.200 89 HA VAL 14 HA VAL 14 19.743 60.995 89.626 90 HB VAL 14 HB VAL 14 22.626 60.658 88.742 91 1HG1 VAL 14 HG11 VAL 14 20.982 59.533 87.232 92 2HG1 VAL 14 HG13 VAL 14 20.132 61.069 87.065 93 3HG1 VAL 14 HG12 VAL 14 21.783 60.906 86.466 94 1HG2 VAL 14 HG22 VAL 14 21.802 62.900 89.684 95 2HG2 VAL 14 HG21 VAL 14 22.497 62.943 88.064 96 3HG2 VAL 14 HG23 VAL 14 20.746 62.982 88.274 97 H GLY 15 HN GLY 15 19.020 59.185 88.341 98 1HA GLY 15 HA2 GLY 15 19.348 56.832 87.600 99 2HA GLY 15 HA1 GLY 15 20.263 56.574 89.091 100 H ASN 16 HN ASN 16 17.784 58.512 90.082 101 HA ASN 16 HA ASN 16 16.476 56.462 91.534 102 1HB ASN 16 HB2 ASN 16 15.667 59.277 90.814 103 2HB ASN 16 HB1 ASN 16 14.657 58.244 91.824 104 1HD2 ASN 16 HD22 ASN 16 18.235 59.614 93.311 105 2HD2 ASN 16 HD21 ASN 16 17.961 59.644 91.636 106 H CYS 17 HN CYS 17 16.233 57.023 88.210 107 HA CYS 17 HA CYS 17 13.548 55.711 88.165 108 1HB CYS 17 HB2 CYS 17 14.752 57.610 86.126 109 2HB CYS 17 HB1 CYS 17 13.182 56.818 85.984 110 H ASN 18 HN ASN 18 13.316 54.603 85.844 111 HA ASN 18 HA ASN 18 15.670 52.808 85.648 112 1HB ASN 18 HB2 ASN 18 13.385 52.249 83.879 113 2HB ASN 18 HB1 ASN 18 14.216 51.174 84.980 114 1HD2 ASN 18 HD22 ASN 18 10.741 51.649 86.246 115 2HD2 ASN 18 HD21 ASN 18 11.429 51.033 84.822 116 H ARG 19 HN ARG 19 17.057 52.882 83.883 117 HA ARG 19 HA ARG 19 16.910 55.145 82.117 118 1HB ARG 19 HB2 ARG 19 18.938 54.299 81.141 119 2HB ARG 19 HB1 ARG 19 19.019 54.004 82.878 120 1HG ARG 19 HG2 ARG 19 17.750 51.813 81.380 121 2HG ARG 19 HG1 ARG 19 19.433 52.093 80.933 122 1HD ARG 19 HD2 ARG 19 19.380 52.295 83.732 123 2HD ARG 19 HD1 ARG 19 18.361 50.908 83.351 124 HE ARG 19 HE ARG 19 20.511 50.369 81.807 125 1HH1 ARG 19 HH21 ARG 19 19.856 50.437 85.104 126 2HH1 ARG 19 HH22 ARG 19 21.495 50.206 85.612 127 1HH2 ARG 19 HH11 ARG 19 22.810 50.540 82.421 128 2HH2 ARG 19 HH12 ARG 19 23.168 50.262 84.092 129 H LEU 20 HN LEU 20 15.361 52.099 81.897 130 HA LEU 20 HA LEU 20 15.258 52.324 78.930 131 1HB LEU 20 HB2 LEU 20 14.258 50.040 78.989 132 2HB LEU 20 HB1 LEU 20 15.863 50.114 79.711 133 HG LEU 20 HG LEU 20 14.249 50.640 81.876 134 1HD1 LEU 20 HD13 LEU 20 12.820 48.830 79.938 135 2HD1 LEU 20 HD12 LEU 20 12.606 48.629 81.678 136 3HD1 LEU 20 HD11 LEU 20 12.160 50.151 80.904 137 1HD2 LEU 20 HD21 LEU 20 16.201 48.946 81.370 138 2HD2 LEU 20 HD23 LEU 20 15.071 48.609 82.680 139 3HD2 LEU 20 HD22 LEU 20 14.881 47.804 81.123 140 H THR 21 HN THR 21 12.990 51.950 81.700 141 HA THR 21 HA THR 21 10.751 52.644 79.891 142 HB THR 21 HB THR 21 9.843 52.539 82.564 143 HG1 THR 21 HG1 THR 21 11.830 51.603 83.108 144 1HG2 THR 21 HG23 THR 21 8.687 51.702 80.546 145 2HG2 THR 21 HG22 THR 21 9.873 50.403 80.411 146 3HG2 THR 21 HG21 THR 21 8.779 50.458 81.793 147 H GLY 22 HN GLY 22 12.811 54.154 82.280 148 1HA GLY 22 HA2 GLY 22 12.970 56.435 82.860 149 2HA GLY 22 HA1 GLY 22 11.763 56.775 81.620 150 H GLU 23 HN GLU 23 11.850 55.062 84.795 151 HA GLU 23 HA GLU 23 9.579 56.740 85.681 152 1HB GLU 23 HB2 GLU 23 9.234 54.091 84.704 153 2HB GLU 23 HB1 GLU 23 9.042 54.021 86.456 154 1HG GLU 23 HG2 GLU 23 6.876 54.553 85.717 155 2HG GLU 23 HG1 GLU 23 7.542 56.132 86.137 156 H CYS 24 HN CYS 24 9.306 56.635 88.040 157 HA CYS 24 HA CYS 24 11.789 56.477 89.464 158 1HB CYS 24 HB2 CYS 24 8.911 56.829 90.206 159 2HB CYS 24 HB1 CYS 24 10.051 56.411 91.484 160 H LEU 25 HN LEU 25 12.835 54.560 89.841 161 HA LEU 25 HA LEU 25 11.144 52.312 90.821 162 1HB LEU 25 HB2 LEU 25 12.329 50.662 89.566 163 2HB LEU 25 HB1 LEU 25 11.830 51.918 88.451 164 HG LEU 25 HG LEU 25 13.980 51.657 87.727 165 1HD1 LEU 25 HD12 LEU 25 14.484 53.434 90.122 166 2HD1 LEU 25 HD11 LEU 25 15.529 53.281 88.716 167 3HD1 LEU 25 HD13 LEU 25 13.915 53.956 88.541 168 1HD2 LEU 25 HD22 LEU 25 14.201 50.032 89.912 169 2HD2 LEU 25 HD21 LEU 25 15.471 50.332 88.725 170 3HD2 LEU 25 HD23 LEU 25 15.430 51.259 90.225 171 H LYS 26 HN LYS 26 12.394 54.117 92.483 172 HA LYS 26 HA LYS 26 14.164 52.308 94.004 173 1HB LYS 26 HB2 LYS 26 15.479 53.915 92.351 174 2HB LYS 26 HB1 LYS 26 15.158 55.101 93.616 175 1HG LYS 26 HG2 LYS 26 15.995 52.858 95.024 176 2HG LYS 26 HG1 LYS 26 17.044 52.872 93.608 177 1HD LYS 26 HD2 LYS 26 16.643 55.530 94.793 178 2HD LYS 26 HD1 LYS 26 17.436 54.388 95.880 179 1HE LYS 26 HE2 LYS 26 18.304 55.006 93.039 180 2HE LYS 26 HE1 LYS 26 19.094 55.592 94.503 181 1HZ LYS 26 HZ2 LYS 26 18.733 52.779 94.599 182 2HZ LYS 26 HZ1 LYS 26 19.582 53.220 93.196 183 3HZ LYS 26 HZ3 LYS 26 20.168 53.682 94.719 184 H CYS 27 HN CYS 27 11.879 52.668 95.125 185 HA CYS 27 HA CYS 27 11.109 55.121 96.244 186 1HB CYS 27 HB2 CYS 27 10.857 52.332 97.414 187 2HB CYS 27 HB1 CYS 27 9.974 53.739 98.001 188 H ILE 28 HN ILE 28 11.502 56.083 98.307 189 HA ILE 28 HA ILE 28 14.163 55.408 99.436 190 HB ILE 28 HB ILE 28 13.468 57.823 100.549 191 1HG1 ILE 28 HG12 ILE 28 12.810 58.149 97.647 192 2HG1 ILE 28 HG11 ILE 28 11.529 57.740 98.781 193 1HG2 ILE 28 HG22 ILE 28 15.470 56.780 98.969 194 2HG2 ILE 28 HG21 ILE 28 14.806 58.051 97.943 195 3HG2 ILE 28 HG23 ILE 28 15.411 58.444 99.552 196 1HD1 ILE 28 HD11 ILE 28 12.525 59.703 100.199 197 2HD1 ILE 28 HD13 ILE 28 13.225 60.208 98.660 198 3HD1 ILE 28 HD12 ILE 28 11.475 60.071 98.830 199 H TYR 29 HN TYR 29 11.087 56.696 100.639 200 HA TYR 29 HA TYR 29 11.670 55.867 103.364 201 1HB TYR 29 HB2 TYR 29 9.029 56.770 102.185 202 2HB TYR 29 HB1 TYR 29 9.453 56.724 103.895 203 HD1 TYR 29 HD2 TYR 29 11.748 58.004 104.472 204 HD2 TYR 29 HD1 TYR 29 9.238 58.803 101.080 205 HE1 TYR 29 HE2 TYR 29 12.708 60.284 104.297 206 HE2 TYR 29 HE1 TYR 29 10.196 61.083 100.906 207 HH TYR 29 HH TYR 29 11.568 62.573 101.809 208 H ASN 30 HN ASN 30 11.810 53.511 101.845 209 HA ASN 30 HA ASN 30 10.930 51.347 101.671 210 1HB ASN 30 HB2 ASN 30 9.968 52.348 104.345 211 2HB ASN 30 HB1 ASN 30 9.563 50.725 103.786 212 1HD2 ASN 30 HD22 ASN 30 12.654 49.657 105.144 213 2HD2 ASN 30 HD21 ASN 30 10.962 49.498 105.162 214 H THR 31 HN THR 31 9.550 52.558 99.883 215 HA THR 31 HA THR 31 6.675 52.012 100.532 216 HB THR 31 HB THR 31 5.991 53.926 99.458 217 HG1 THR 31 HG1 THR 31 6.607 54.002 97.477 218 1HG2 THR 31 HG22 THR 31 8.110 54.340 101.127 219 2HG2 THR 31 HG21 THR 31 8.680 55.132 99.659 220 3HG2 THR 31 HG23 THR 31 7.160 55.636 100.400 221 H ALA 32 HN ALA 32 5.431 51.202 98.653 222 HA ALA 32 HA ALA 32 7.213 49.775 96.715 223 1HB ALA 32 HB1 ALA 32 5.395 48.695 98.534 224 2HB ALA 32 HB3 ALA 32 4.533 48.656 96.996 225 3HB ALA 32 HB2 ALA 32 6.099 47.860 97.150 226 H GLY 33 HN GLY 33 5.208 48.894 94.966 227 1HA GLY 33 HA2 GLY 33 3.618 49.660 93.359 228 2HA GLY 33 HA1 GLY 33 3.678 51.261 94.091 229 H PHE 34 HN PHE 34 3.966 50.432 91.246 230 HA PHE 34 HA PHE 34 6.622 50.549 90.332 231 1HB PHE 34 HB2 PHE 34 4.450 50.196 88.975 232 2HB PHE 34 HB1 PHE 34 4.341 51.952 88.907 233 HD1 PHE 34 HD1 PHE 34 7.482 49.943 88.845 234 HD2 PHE 34 HD2 PHE 34 4.720 52.317 86.561 235 HE1 PHE 34 HE1 PHE 34 9.071 49.969 86.951 236 HE2 PHE 34 HE2 PHE 34 6.316 52.341 84.670 237 HZ PHE 34 HZ PHE 34 8.490 51.168 84.861 238 H TYR 35 HN TYR 35 4.549 53.194 91.485 239 HA TYR 35 HA TYR 35 6.880 55.026 91.064 240 1HB TYR 35 HB2 TYR 35 4.184 56.210 91.465 241 2HB TYR 35 HB1 TYR 35 5.496 56.732 90.411 242 HD1 TYR 35 HD1 TYR 35 5.927 55.479 88.258 243 HD2 TYR 35 HD2 TYR 35 2.427 54.823 90.658 244 HE1 TYR 35 HE1 TYR 35 4.801 54.410 86.324 245 HE2 TYR 35 HE2 TYR 35 1.301 53.754 88.725 246 HH TYR 35 HH TYR 35 1.724 54.049 85.964 247 H CYS 36 HN CYS 36 6.553 53.335 93.360 248 HA CYS 36 HA CYS 36 6.501 53.451 95.701 249 1HB CYS 36 HB2 CYS 36 7.086 56.373 95.144 250 2HB CYS 36 HB1 CYS 36 7.352 55.535 96.672 251 H ASP 37 HN ASP 37 3.991 53.343 94.775 252 HA ASP 37 HA ASP 37 2.508 55.571 96.106 253 1HB ASP 37 HB2 ASP 37 1.877 53.712 93.843 254 2HB ASP 37 HB1 ASP 37 0.546 54.313 94.833 255 H ARG 38 HN ARG 38 3.720 52.701 96.960 256 HA ARG 38 HA ARG 38 1.380 52.076 98.691 257 1HB ARG 38 HB2 ARG 38 2.119 50.453 96.657 258 2HB ARG 38 HB1 ARG 38 3.186 49.846 97.924 259 1HG ARG 38 HG2 ARG 38 0.774 50.136 99.246 260 2HG ARG 38 HG1 ARG 38 0.278 49.578 97.649 261 1HD ARG 38 HD2 ARG 38 1.548 47.594 97.815 262 2HD ARG 38 HD1 ARG 38 2.531 48.232 99.132 263 HE ARG 38 HE ARG 38 0.310 46.686 99.614 264 1HH1 ARG 38 HH11 ARG 38 -1.688 48.557 99.878 265 2HH1 ARG 38 HH12 ARG 38 -1.442 49.352 101.397 266 1HH2 ARG 38 HH21 ARG 38 1.859 48.334 101.694 267 2HH2 ARG 38 HH22 ARG 38 0.566 49.226 102.424 268 H CYS 39 HN CYS 39 2.529 50.150 100.228 269 HA CYS 39 HA CYS 39 4.877 51.524 101.483 270 1HB CYS 39 HB2 CYS 39 2.316 50.469 102.589 271 2HB CYS 39 HB1 CYS 39 3.741 50.245 103.592 272 H LYS 40 HN LYS 40 6.671 50.154 101.901 273 HA LYS 40 HA LYS 40 6.839 47.636 100.625 274 1HB LYS 40 HB2 LYS 40 8.864 48.765 101.258 275 2HB LYS 40 HB1 LYS 40 8.392 48.782 102.958 276 1HG LYS 40 HG2 LYS 40 8.649 46.413 103.154 277 2HG LYS 40 HG1 LYS 40 8.781 46.215 101.406 278 1HD LYS 40 HD2 LYS 40 10.791 48.044 102.010 279 2HD LYS 40 HD1 LYS 40 10.851 46.900 103.352 280 1HE LYS 40 HE2 LYS 40 11.112 46.315 100.396 281 2HE LYS 40 HE1 LYS 40 12.282 45.990 101.674 282 1HZ LYS 40 HZ1 LYS 40 10.278 44.600 102.614 283 2HZ LYS 40 HZ3 LYS 40 9.836 44.545 100.977 284 3HZ LYS 40 HZ2 LYS 40 11.348 43.944 101.468 285 H GLU 41 HN GLU 41 6.601 45.505 101.366 286 HA GLU 41 HA GLU 41 4.533 44.973 103.240 287 1HB GLU 41 HB2 GLU 41 6.541 43.376 101.749 288 2HB GLU 41 HB1 GLU 41 5.880 42.617 103.198 289 1HG GLU 41 HG2 GLU 41 4.209 41.980 101.778 290 2HG GLU 41 HG1 GLU 41 3.603 43.605 102.098 291 H GLY 42 HN GLY 42 4.589 45.032 105.454 292 1HA GLY 42 HA2 GLY 42 5.827 44.066 107.458 293 2HA GLY 42 HA1 GLY 42 7.271 44.821 106.766 294 H PHE 43 HN PHE 43 5.804 47.119 105.765 295 HA PHE 43 HA PHE 43 5.031 48.407 108.327 296 1HB PHE 43 HB2 PHE 43 6.435 49.917 106.141 297 2HB PHE 43 HB1 PHE 43 6.189 50.365 107.828 298 HD1 PHE 43 HD2 PHE 43 7.947 47.952 105.599 299 HD2 PHE 43 HD1 PHE 43 7.773 49.736 109.503 300 HE1 PHE 43 HE2 PHE 43 10.116 46.900 106.176 301 HE2 PHE 43 HE1 PHE 43 9.944 48.683 110.080 302 HZ PHE 43 HZ PHE 43 11.116 47.266 108.417 303 H PHE 44 HN PHE 44 3.173 49.360 108.229 304 HA PHE 44 HA PHE 44 1.842 49.760 105.579 305 1HB PHE 44 HB2 PHE 44 0.238 49.843 108.088 306 2HB PHE 44 HB1 PHE 44 -0.171 49.158 106.516 307 HD1 PHE 44 HD2 PHE 44 1.773 47.235 105.859 308 HD2 PHE 44 HD1 PHE 44 0.290 48.232 109.764 309 HE1 PHE 44 HE2 PHE 44 2.408 44.981 106.676 310 HE2 PHE 44 HE1 PHE 44 0.925 45.978 110.581 311 HZ PHE 44 HZ PHE 44 1.985 44.353 109.036 312 H GLY 45 HN GLY 45 0.083 51.633 105.800 313 1HA GLY 45 HA2 GLY 45 -0.098 53.758 107.360 314 2HA GLY 45 HA1 GLY 45 1.580 53.966 106.876 315 H ASN 46 HN ASN 46 1.219 55.891 105.755 316 HA ASN 46 HA ASN 46 -0.239 55.566 103.166 317 1HB ASN 46 HB2 ASN 46 -0.535 57.743 105.223 318 2HB ASN 46 HB1 ASN 46 -0.849 58.079 103.521 319 1HD2 ASN 46 HD22 ASN 46 -3.795 56.460 105.572 320 2HD2 ASN 46 HD21 ASN 46 -2.551 57.428 106.203 321 HA PRO 47 HA PRO 47 3.896 57.150 102.215 322 1HB PRO 47 HB2 PRO 47 3.923 56.135 99.661 323 2HB PRO 47 HB1 PRO 47 4.375 55.198 101.095 324 1HG PRO 47 HG2 PRO 47 1.871 55.056 99.474 325 2HG PRO 47 HG1 PRO 47 2.654 53.796 100.442 326 1HD PRO 47 HD2 PRO 47 0.395 55.294 101.216 327 2HD PRO 47 HD1 PRO 47 1.409 54.314 102.298 328 H LEU 48 HN LEU 48 0.843 58.024 101.280 329 HA LEU 48 HA LEU 48 1.825 60.038 99.297 330 1HB LEU 48 HB2 LEU 48 -0.561 58.388 99.443 331 2HB LEU 48 HB1 LEU 48 -0.989 60.098 99.377 332 HG LEU 48 HG LEU 48 -0.806 59.290 97.104 333 1HD1 LEU 48 HD13 LEU 48 0.810 61.360 98.199 334 2HD1 LEU 48 HD12 LEU 48 1.763 60.562 96.948 335 3HD1 LEU 48 HD11 LEU 48 0.180 61.236 96.557 336 1HD2 LEU 48 HD22 LEU 48 1.715 58.069 98.176 337 2HD2 LEU 48 HD21 LEU 48 0.499 57.367 97.109 338 3HD2 LEU 48 HD23 LEU 48 1.664 58.529 96.475 339 H ALA 49 HN ALA 49 2.270 60.380 102.109 340 HA ALA 49 HA ALA 49 0.318 62.546 102.764 341 1HB ALA 49 HB3 ALA 49 1.282 60.339 104.301 342 2HB ALA 49 HB2 ALA 49 1.917 61.815 105.028 343 3HB ALA 49 HB1 ALA 49 0.178 61.615 104.813 344 HA PRO 50 HA PRO 50 3.634 65.424 102.536 345 1HB PRO 50 HB2 PRO 50 2.767 67.281 104.375 346 2HB PRO 50 HB1 PRO 50 2.065 67.103 102.757 347 1HG PRO 50 HG2 PRO 50 0.957 66.237 105.392 348 2HG PRO 50 HG1 PRO 50 0.101 66.698 103.910 349 1HD PRO 50 HD2 PRO 50 0.510 64.059 104.802 350 2HD PRO 50 HD1 PRO 50 0.031 64.533 103.158 351 H ASN 51 HN ASN 51 2.853 63.813 105.484 352 HA ASN 51 HA ASN 51 5.293 64.829 106.838 353 1HB ASN 51 HB2 ASN 51 2.739 64.016 107.746 354 2HB ASN 51 HB1 ASN 51 3.882 62.811 108.337 355 1HD2 ASN 51 HD22 ASN 51 3.861 66.500 110.000 356 2HD2 ASN 51 HD21 ASN 51 2.729 66.045 108.818 357 HA PRO 52 HA PRO 52 7.331 61.121 105.415 358 1HB PRO 52 HB2 PRO 52 9.707 61.593 106.714 359 2HB PRO 52 HB1 PRO 52 9.244 62.375 105.194 360 1HG PRO 52 HG2 PRO 52 9.291 63.514 107.952 361 2HG PRO 52 HG1 PRO 52 9.482 64.334 106.393 362 1HD PRO 52 HD2 PRO 52 7.135 64.321 107.958 363 2HD PRO 52 HD1 PRO 52 7.244 64.796 106.248 364 H ALA 53 HN ALA 53 6.776 62.036 108.751 365 HA ALA 53 HA ALA 53 7.709 59.422 109.767 366 1HB ALA 53 HB3 ALA 53 6.702 61.964 111.016 367 2HB ALA 53 HB2 ALA 53 6.678 60.467 111.950 368 3HB ALA 53 HB1 ALA 53 8.203 61.093 111.324 369 H ASP 54 HN ASP 54 5.076 60.329 108.103 370 HA ASP 54 HA ASP 54 3.249 58.571 109.695 371 1HB ASP 54 HB2 ASP 54 2.703 61.018 108.014 372 2HB ASP 54 HB1 ASP 54 1.426 59.862 108.392 373 H LYS 55 HN LYS 55 5.144 58.584 106.995 374 HA LYS 55 HA LYS 55 3.325 57.511 105.034 375 1HB LYS 55 HB2 LYS 55 6.330 57.468 105.265 376 2HB LYS 55 HB1 LYS 55 5.477 56.712 103.916 377 1HG LYS 55 HG2 LYS 55 4.555 58.764 103.189 378 2HG LYS 55 HG1 LYS 55 4.929 59.567 104.714 379 1HD LYS 55 HD2 LYS 55 7.360 59.298 104.218 380 2HD LYS 55 HD1 LYS 55 6.932 58.612 102.649 381 1HE LYS 55 HE2 LYS 55 5.788 60.683 102.022 382 2HE LYS 55 HE1 LYS 55 6.126 61.373 103.609 383 1HZ LYS 55 HZ3 LYS 55 8.546 60.926 103.054 384 2HZ LYS 55 HZ2 LYS 55 8.032 60.710 101.449 385 3HZ LYS 55 HZ1 LYS 55 7.792 62.201 102.228 386 H CYS 56 HN CYS 56 5.940 55.303 105.301 387 HA CYS 56 HA CYS 56 4.009 53.242 106.227 388 1HB CYS 56 HB2 CYS 56 6.769 52.760 105.085 389 2HB CYS 56 HB1 CYS 56 5.426 51.624 105.187 390 H LYS 57 HN LYS 57 4.530 51.865 107.972 391 HA LYS 57 HA LYS 57 7.041 52.150 109.433 392 1HB LYS 57 HB2 LYS 57 4.573 53.570 110.273 393 2HB LYS 57 HB1 LYS 57 5.409 52.673 111.542 394 1HG LYS 57 HG2 LYS 57 7.086 54.351 109.737 395 2HG LYS 57 HG1 LYS 57 6.080 55.193 110.913 396 1HD LYS 57 HD2 LYS 57 7.504 52.871 112.022 397 2HD LYS 57 HD1 LYS 57 8.571 54.149 111.438 398 1HE LYS 57 HE2 LYS 57 8.187 55.136 113.442 399 2HE LYS 57 HE1 LYS 57 6.621 55.580 112.760 400 1HZ LYS 57 HZ3 LYS 57 6.606 52.908 113.728 401 2HZ LYS 57 HZ2 LYS 57 7.071 53.989 114.954 402 3HZ LYS 57 HZ1 LYS 57 5.594 54.204 114.141 403 H ALA 58 HN ALA 58 6.961 50.700 111.439 404 HA ALA 58 HA ALA 58 5.771 48.159 110.707 405 1HB ALA 58 HB1 ALA 58 7.928 48.787 112.173 406 2HB ALA 58 HB3 ALA 58 6.759 48.620 113.483 407 3HB ALA 58 HB2 ALA 58 7.062 47.268 112.393 No H/Q in entry = 407 Start of MODEL 9 1 1H ARG 1 HT2 ARG 1 16.875 69.360 86.733 2 2H ARG 1 HT1 ARG 1 17.030 69.907 88.335 3 3H ARG 1 HT3 ARG 1 18.396 69.829 87.330 4 HA ARG 1 HA ARG 1 18.801 67.842 88.194 5 1HB ARG 1 HB2 ARG 1 16.944 66.654 89.513 6 2HB ARG 1 HB1 ARG 1 17.485 68.213 90.142 7 1HG ARG 1 HG2 ARG 1 15.480 68.851 88.292 8 2HG ARG 1 HG1 ARG 1 14.860 67.446 89.160 9 1HD ARG 1 HD2 ARG 1 15.324 68.562 91.309 10 2HD ARG 1 HD1 ARG 1 15.947 69.968 90.445 11 HE ARG 1 HE ARG 1 13.218 69.560 91.011 12 1HH1 ARG 1 HH11 ARG 1 15.349 70.969 88.779 13 2HH1 ARG 1 HH12 ARG 1 14.115 71.453 87.665 14 1HH2 ARG 1 HH21 ARG 1 11.568 69.831 89.367 15 2HH2 ARG 1 HH22 ARG 1 11.976 70.809 87.996 16 HA PRO 2 HA PRO 2 17.416 65.100 85.044 17 1HB PRO 2 HB2 PRO 2 18.104 62.686 86.173 18 2HB PRO 2 HB1 PRO 2 19.282 63.821 85.495 19 1HG PRO 2 HG2 PRO 2 18.672 63.229 88.355 20 2HG PRO 2 HG1 PRO 2 20.179 63.804 87.624 21 1HD PRO 2 HD2 PRO 2 18.313 65.400 89.023 22 2HD PRO 2 HD1 PRO 2 19.629 65.994 87.987 23 H CYS 3 HN CYS 3 16.443 62.443 85.445 24 HA CYS 3 HA CYS 3 13.731 62.580 85.528 25 1HB CYS 3 HB2 CYS 3 15.661 60.515 85.969 26 2HB CYS 3 HB1 CYS 3 14.368 60.323 87.151 27 H GLN 4 HN GLN 4 12.068 62.542 87.105 28 HA GLN 4 HA GLN 4 12.504 62.369 89.921 29 1HB GLN 4 HB2 GLN 4 13.675 64.452 89.822 30 2HB GLN 4 HB1 GLN 4 12.466 65.158 88.748 31 1HG GLN 4 HG2 GLN 4 10.845 65.286 90.475 32 2HG GLN 4 HG1 GLN 4 11.746 64.183 91.514 33 1HE2 GLN 4 HE22 GLN 4 12.683 67.308 93.047 34 2HE2 GLN 4 HE21 GLN 4 11.518 66.074 93.116 35 H CYS 5 HN CYS 5 10.536 61.607 90.528 36 HA CYS 5 HA CYS 5 8.122 62.756 89.190 37 1HB CYS 5 HB2 CYS 5 7.644 60.330 90.750 38 2HB CYS 5 HB1 CYS 5 7.217 60.681 89.080 39 H ASN 6 HN ASN 6 6.221 63.041 90.634 40 HA ASN 6 HA ASN 6 7.053 64.198 93.190 41 1HB ASN 6 HB2 ASN 6 4.472 64.019 91.655 42 2HB ASN 6 HB1 ASN 6 4.447 64.488 93.355 43 1HD2 ASN 6 HD22 ASN 6 6.625 67.410 92.580 44 2HD2 ASN 6 HD21 ASN 6 6.723 66.063 93.609 45 H ASP 7 HN ASP 7 7.789 62.257 94.299 46 HA ASP 7 HA ASP 7 5.724 60.979 95.853 47 1HB ASP 7 HB2 ASP 7 5.999 58.682 95.018 48 2HB ASP 7 HB1 ASP 7 5.422 59.740 93.732 49 H ASN 8 HN ASN 8 7.563 58.482 95.973 50 HA ASN 8 HA ASN 8 9.458 59.678 97.924 51 1HB ASN 8 HB2 ASN 8 8.189 57.010 97.523 52 2HB ASN 8 HB1 ASN 8 9.790 57.039 98.258 53 1HD2 ASN 8 HD22 ASN 8 6.700 57.850 100.594 54 2HD2 ASN 8 HD21 ASN 8 6.625 56.975 99.141 55 H ILE 9 HN ILE 9 10.906 60.514 96.271 56 HA ILE 9 HA ILE 9 12.881 58.476 95.455 57 HB ILE 9 HB ILE 9 12.993 59.484 93.144 58 1HG1 ILE 9 HG12 ILE 9 10.373 60.374 92.814 59 2HG1 ILE 9 HG11 ILE 9 10.879 61.116 94.332 60 1HG2 ILE 9 HG23 ILE 9 11.499 57.420 94.124 61 2HG2 ILE 9 HG22 ILE 9 10.256 58.391 93.333 62 3HG2 ILE 9 HG21 ILE 9 11.641 57.810 92.409 63 1HD1 ILE 9 HD11 ILE 9 13.076 61.676 93.007 64 2HD1 ILE 9 HD13 ILE 9 12.057 61.437 91.588 65 3HD1 ILE 9 HD12 ILE 9 11.644 62.677 92.771 66 H ASP 10 HN ASP 10 14.969 59.400 95.154 67 HA ASP 10 HA ASP 10 15.196 62.178 96.207 68 1HB ASP 10 HB2 ASP 10 16.764 59.702 96.560 69 2HB ASP 10 HB1 ASP 10 17.731 61.162 96.332 70 HA PRO 11 HA PRO 11 16.552 63.177 92.071 71 1HB PRO 11 HB2 PRO 11 17.053 65.831 92.582 72 2HB PRO 11 HB1 PRO 11 15.431 65.174 92.301 73 1HG PRO 11 HG2 PRO 11 16.697 66.020 94.870 74 2HG PRO 11 HG1 PRO 11 14.986 66.014 94.411 75 1HD PRO 11 HD2 PRO 11 16.237 64.095 96.048 76 2HD PRO 11 HD1 PRO 11 14.665 63.901 95.241 77 H ASN 12 HN ASN 12 18.402 63.422 94.976 78 HA ASN 12 HA ASN 12 20.846 64.386 93.689 79 1HB ASN 12 HB2 ASN 12 20.537 63.020 96.380 80 2HB ASN 12 HB1 ASN 12 21.897 64.007 95.844 81 1HD2 ASN 12 HD22 ASN 12 20.127 67.108 96.240 82 2HD2 ASN 12 HD21 ASN 12 21.379 66.362 95.369 83 H ALA 13 HN ALA 13 20.337 61.333 95.492 84 HA ALA 13 HA ALA 13 22.459 59.935 94.259 85 1HB ALA 13 HB2 ALA 13 19.858 58.854 95.384 86 2HB ALA 13 HB1 ALA 13 21.276 57.874 95.010 87 3HB ALA 13 HB3 ALA 13 21.360 59.098 96.275 88 H VAL 14 HN VAL 14 21.942 57.826 92.898 89 HA VAL 14 HA VAL 14 20.208 58.677 90.613 90 HB VAL 14 HB VAL 14 22.794 57.110 90.697 91 1HG1 VAL 14 HG13 VAL 14 20.817 57.413 88.416 92 2HG1 VAL 14 HG12 VAL 14 22.465 56.812 88.231 93 3HG1 VAL 14 HG11 VAL 14 21.299 55.907 89.197 94 1HG2 VAL 14 HG23 VAL 14 22.058 59.823 90.154 95 2HG2 VAL 14 HG22 VAL 14 23.663 59.096 90.084 96 3HG2 VAL 14 HG21 VAL 14 22.633 59.099 88.652 97 H GLY 15 HN GLY 15 19.247 56.795 89.390 98 1HA GLY 15 HA2 GLY 15 18.638 54.399 89.394 99 2HA GLY 15 HA1 GLY 15 18.832 54.418 91.150 100 H ASN 16 HN ASN 16 17.397 57.206 91.029 101 HA ASN 16 HA ASN 16 14.806 56.214 91.734 102 1HB ASN 16 HB2 ASN 16 15.929 58.943 91.180 103 2HB ASN 16 HB1 ASN 16 14.194 58.731 91.424 104 1HD2 ASN 16 HD22 ASN 16 14.623 57.608 94.858 105 2HD2 ASN 16 HD21 ASN 16 13.690 57.275 93.481 106 H CYS 17 HN CYS 17 16.103 56.382 88.647 107 HA CYS 17 HA CYS 17 13.351 56.427 87.506 108 1HB CYS 17 HB2 CYS 17 14.903 58.570 87.179 109 2HB CYS 17 HB1 CYS 17 15.563 57.579 85.880 110 H ASN 18 HN ASN 18 13.054 54.881 85.854 111 HA ASN 18 HA ASN 18 15.095 52.792 85.709 112 1HB ASN 18 HB2 ASN 18 12.957 52.638 83.703 113 2HB ASN 18 HB1 ASN 18 13.434 51.463 84.911 114 1HD2 ASN 18 HD22 ASN 18 10.249 53.850 85.592 115 2HD2 ASN 18 HD21 ASN 18 11.116 53.925 84.137 116 H ARG 19 HN ARG 19 16.731 52.760 84.243 117 HA ARG 19 HA ARG 19 17.085 54.871 82.337 118 1HB ARG 19 HB2 ARG 19 19.035 53.587 81.580 119 2HB ARG 19 HB1 ARG 19 18.962 53.599 83.343 120 1HG ARG 19 HG2 ARG 19 17.414 51.385 82.394 121 2HG ARG 19 HG1 ARG 19 18.993 51.335 81.609 122 1HD ARG 19 HD2 ARG 19 19.255 52.022 84.419 123 2HD ARG 19 HD1 ARG 19 18.395 50.495 84.220 124 HE ARG 19 HE ARG 19 20.357 49.566 83.179 125 1HH1 ARG 19 HH11 ARG 19 21.028 52.383 81.971 126 2HH1 ARG 19 HH12 ARG 19 22.569 52.655 82.714 127 1HH2 ARG 19 HH21 ARG 19 22.190 50.113 85.043 128 2HH2 ARG 19 HH22 ARG 19 23.226 51.370 84.454 129 H LEU 20 HN LEU 20 15.414 51.841 82.143 130 HA LEU 20 HA LEU 20 15.369 52.043 79.170 131 1HB LEU 20 HB2 LEU 20 14.393 49.734 79.262 132 2HB LEU 20 HB1 LEU 20 16.014 49.855 79.940 133 HG LEU 20 HG LEU 20 14.298 50.399 82.091 134 1HD1 LEU 20 HD13 LEU 20 13.316 48.049 80.447 135 2HD1 LEU 20 HD12 LEU 20 12.825 48.401 82.104 136 3HD1 LEU 20 HD11 LEU 20 12.408 49.519 80.805 137 1HD2 LEU 20 HD23 LEU 20 16.500 49.024 81.806 138 2HD2 LEU 20 HD22 LEU 20 15.350 48.530 83.048 139 3HD2 LEU 20 HD21 LEU 20 15.415 47.665 81.513 140 H THR 21 HN THR 21 13.104 51.788 81.945 141 HA THR 21 HA THR 21 10.823 52.118 80.123 142 HB THR 21 HB THR 21 9.842 52.426 82.689 143 HG1 THR 21 HG1 THR 21 11.910 50.498 82.771 144 1HG2 THR 21 HG21 THR 21 9.703 50.604 80.573 145 2HG2 THR 21 HG23 THR 21 10.161 49.628 81.968 146 3HG2 THR 21 HG22 THR 21 8.695 50.606 82.020 147 H GLY 22 HN GLY 22 12.546 54.068 82.561 148 1HA GLY 22 HA2 GLY 22 12.701 56.451 82.564 149 2HA GLY 22 HA1 GLY 22 11.497 56.502 81.276 150 H GLU 23 HN GLU 23 11.755 55.686 84.777 151 HA GLU 23 HA GLU 23 9.571 57.396 85.495 152 1HB GLU 23 HB2 GLU 23 8.713 55.028 84.306 153 2HB GLU 23 HB1 GLU 23 8.600 54.683 86.032 154 1HG GLU 23 HG2 GLU 23 6.499 55.662 85.326 155 2HG GLU 23 HG1 GLU 23 7.350 56.851 86.311 156 H CYS 24 HN CYS 24 9.059 57.114 87.870 157 HA CYS 24 HA CYS 24 11.334 56.870 89.449 158 1HB CYS 24 HB2 CYS 24 8.409 56.743 89.956 159 2HB CYS 24 HB1 CYS 24 9.446 56.140 91.248 160 H LEU 25 HN LEU 25 12.616 55.141 89.988 161 HA LEU 25 HA LEU 25 11.384 52.417 89.847 162 1HB LEU 25 HB2 LEU 25 13.188 53.264 88.100 163 2HB LEU 25 HB1 LEU 25 14.315 52.844 89.363 164 HG LEU 25 HG LEU 25 13.236 51.189 87.404 165 1HD1 LEU 25 HD12 LEU 25 15.084 51.063 89.625 166 2HD1 LEU 25 HD11 LEU 25 14.273 49.515 89.380 167 3HD1 LEU 25 HD13 LEU 25 15.161 50.265 88.053 168 1HD2 LEU 25 HD22 LEU 25 11.150 50.953 88.707 169 2HD2 LEU 25 HD21 LEU 25 12.042 49.433 88.663 170 3HD2 LEU 25 HD23 LEU 25 12.087 50.439 90.110 171 H LYS 26 HN LYS 26 13.582 54.529 91.662 172 HA LYS 26 HA LYS 26 13.969 52.301 93.624 173 1HB LYS 26 HB2 LYS 26 15.899 53.757 92.393 174 2HB LYS 26 HB1 LYS 26 15.664 54.706 93.865 175 1HG LYS 26 HG2 LYS 26 15.908 52.622 95.187 176 2HG LYS 26 HG1 LYS 26 16.281 51.759 93.696 177 1HD LYS 26 HD2 LYS 26 18.423 52.433 93.824 178 2HD LYS 26 HD1 LYS 26 17.897 54.116 93.795 179 1HE LYS 26 HE2 LYS 26 19.235 53.499 95.839 180 2HE LYS 26 HE1 LYS 26 17.635 54.148 96.198 181 1HZ LYS 26 HZ3 LYS 26 17.395 51.390 95.843 182 2HZ LYS 26 HZ2 LYS 26 18.696 51.654 96.902 183 3HZ LYS 26 HZ1 LYS 26 17.161 52.285 97.264 184 H CYS 27 HN CYS 27 11.848 52.851 94.715 185 HA CYS 27 HA CYS 27 11.141 55.400 95.693 186 1HB CYS 27 HB2 CYS 27 10.672 52.710 97.016 187 2HB CYS 27 HB1 CYS 27 9.732 54.179 97.285 188 H ILE 28 HN ILE 28 11.447 56.372 97.816 189 HA ILE 28 HA ILE 28 14.007 55.520 99.072 190 HB ILE 28 HB ILE 28 13.497 57.986 100.145 191 1HG1 ILE 28 HG12 ILE 28 12.849 58.311 97.228 192 2HG1 ILE 28 HG11 ILE 28 11.555 58.060 98.397 193 1HG2 ILE 28 HG21 ILE 28 15.531 56.912 98.891 194 2HG2 ILE 28 HG23 ILE 28 14.873 57.752 97.486 195 3HG2 ILE 28 HG22 ILE 28 15.358 58.667 98.914 196 1HD1 ILE 28 HD11 ILE 28 13.105 59.970 99.637 197 2HD1 ILE 28 HD13 ILE 28 13.224 60.426 97.938 198 3HD1 ILE 28 HD12 ILE 28 11.642 60.300 98.708 199 H TYR 29 HN TYR 29 11.137 57.219 100.299 200 HA TYR 29 HA TYR 29 11.559 56.392 102.999 201 1HB TYR 29 HB2 TYR 29 9.007 57.404 101.726 202 2HB TYR 29 HB1 TYR 29 9.377 57.391 103.448 203 HD1 TYR 29 HD2 TYR 29 12.466 57.993 102.175 204 HD2 TYR 29 HD1 TYR 29 8.644 59.940 102.440 205 HE1 TYR 29 HE2 TYR 29 13.572 60.196 101.938 206 HE2 TYR 29 HE1 TYR 29 9.753 62.144 102.203 207 HH TYR 29 HH TYR 29 11.837 63.069 101.314 208 H ASN 30 HN ASN 30 11.751 54.007 102.579 209 HA ASN 30 HA ASN 30 10.830 51.817 102.337 210 1HB ASN 30 HB2 ASN 30 9.612 53.234 104.690 211 2HB ASN 30 HB1 ASN 30 9.179 51.559 104.341 212 1HD2 ASN 30 HD22 ASN 30 12.032 50.669 106.249 213 2HD2 ASN 30 HD21 ASN 30 10.338 50.634 106.146 214 H THR 31 HN THR 31 9.628 53.103 100.304 215 HA THR 31 HA THR 31 6.740 52.356 100.631 216 HB THR 31 HB THR 31 6.251 54.049 98.875 217 HG1 THR 31 HG1 THR 31 8.978 54.744 99.216 218 1HG2 THR 31 HG21 THR 31 6.827 54.488 101.548 219 2HG2 THR 31 HG23 THR 31 7.770 55.732 100.727 220 3HG2 THR 31 HG22 THR 31 6.029 55.634 100.472 221 H ALA 32 HN ALA 32 5.785 51.282 98.809 222 HA ALA 32 HA ALA 32 7.811 50.118 96.932 223 1HB ALA 32 HB2 ALA 32 6.658 48.620 98.742 224 2HB ALA 32 HB1 ALA 32 5.260 48.704 97.670 225 3HB ALA 32 HB3 ALA 32 6.778 48.022 97.087 226 H GLY 33 HN GLY 33 5.733 48.740 95.426 227 1HA GLY 33 HA2 GLY 33 4.083 49.160 93.780 228 2HA GLY 33 HA1 GLY 33 3.940 50.811 94.382 229 H PHE 34 HN PHE 34 4.283 49.815 91.603 230 HA PHE 34 HA PHE 34 6.920 50.262 90.652 231 1HB PHE 34 HB2 PHE 34 5.008 49.310 89.316 232 2HB PHE 34 HB1 PHE 34 4.340 50.936 89.193 233 HD1 PHE 34 HD2 PHE 34 7.941 49.978 89.110 234 HD2 PHE 34 HD1 PHE 34 4.558 51.373 86.854 235 HE1 PHE 34 HE2 PHE 34 9.420 50.433 87.177 236 HE2 PHE 34 HE1 PHE 34 6.041 51.826 84.922 237 HZ PHE 34 HZ PHE 34 8.470 51.357 85.081 238 H TYR 35 HN TYR 35 4.493 52.582 91.734 239 HA TYR 35 HA TYR 35 6.250 54.778 90.720 240 1HB TYR 35 HB2 TYR 35 3.280 54.635 91.242 241 2HB TYR 35 HB1 TYR 35 4.122 56.181 91.122 242 HD1 TYR 35 HD2 TYR 35 5.409 56.733 89.023 243 HD2 TYR 35 HD1 TYR 35 2.785 53.343 89.300 244 HE1 TYR 35 HE2 TYR 35 5.344 56.581 86.549 245 HE2 TYR 35 HE1 TYR 35 2.721 53.191 86.825 246 HH TYR 35 HH TYR 35 3.070 54.728 84.883 247 H CYS 36 HN CYS 36 6.294 53.138 93.336 248 HA CYS 36 HA CYS 36 6.806 53.599 95.577 249 1HB CYS 36 HB2 CYS 36 7.025 56.438 94.526 250 2HB CYS 36 HB1 CYS 36 7.624 55.872 96.087 251 H ASP 37 HN ASP 37 4.020 53.704 94.560 252 HA ASP 37 HA ASP 37 2.823 55.674 96.450 253 1HB ASP 37 HB2 ASP 37 1.876 54.301 93.964 254 2HB ASP 37 HB1 ASP 37 0.674 54.731 95.182 255 H ARG 38 HN ARG 38 4.093 52.977 97.103 256 HA ARG 38 HA ARG 38 1.734 51.892 98.552 257 1HB ARG 38 HB2 ARG 38 3.114 50.571 96.512 258 2HB ARG 38 HB1 ARG 38 3.785 49.899 97.999 259 1HG ARG 38 HG2 ARG 38 1.758 49.016 98.683 260 2HG ARG 38 HG1 ARG 38 0.818 50.227 97.811 261 1HD ARG 38 HD2 ARG 38 2.198 48.892 95.796 262 2HD ARG 38 HD1 ARG 38 1.740 47.606 96.915 263 HE ARG 38 HE ARG 38 -0.064 48.994 95.179 264 1HH1 ARG 38 HH11 ARG 38 0.001 46.575 97.386 265 2HH1 ARG 38 HH12 ARG 38 -1.557 46.874 98.081 266 1HH2 ARG 38 HH21 ARG 38 -1.966 49.936 96.504 267 2HH2 ARG 38 HH22 ARG 38 -2.671 48.776 97.581 268 H CYS 39 HN CYS 39 2.805 50.201 100.211 269 HA CYS 39 HA CYS 39 5.008 51.655 101.617 270 1HB CYS 39 HB2 CYS 39 2.347 50.693 102.501 271 2HB CYS 39 HB1 CYS 39 3.646 50.357 103.634 272 H LYS 40 HN LYS 40 6.745 50.302 102.361 273 HA LYS 40 HA LYS 40 7.129 47.804 101.106 274 1HB LYS 40 HB2 LYS 40 9.044 48.854 102.071 275 2HB LYS 40 HB1 LYS 40 8.279 48.954 103.655 276 1HG LYS 40 HG2 LYS 40 8.447 46.604 104.005 277 2HG LYS 40 HG1 LYS 40 8.846 46.308 102.313 278 1HD LYS 40 HD2 LYS 40 10.762 48.158 103.300 279 2HD LYS 40 HD1 LYS 40 10.625 46.870 104.497 280 1HE LYS 40 HE2 LYS 40 12.202 45.959 103.047 281 2HE LYS 40 HE1 LYS 40 10.709 45.299 102.379 282 1HZ LYS 40 HZ1 LYS 40 11.683 47.904 101.433 283 2HZ LYS 40 HZ3 LYS 40 12.407 46.489 100.842 284 3HZ LYS 40 HZ2 LYS 40 10.742 46.746 100.621 285 H GLU 41 HN GLU 41 6.669 45.698 101.669 286 HA GLU 41 HA GLU 41 4.380 45.137 103.264 287 1HB GLU 41 HB2 GLU 41 5.857 43.727 101.447 288 2HB GLU 41 HB1 GLU 41 6.326 42.934 102.952 289 1HG GLU 41 HG2 GLU 41 3.782 42.893 103.470 290 2HG GLU 41 HG1 GLU 41 3.577 43.203 101.745 291 H GLY 42 HN GLY 42 4.179 44.905 105.449 292 1HA GLY 42 HA2 GLY 42 5.195 43.772 107.488 293 2HA GLY 42 HA1 GLY 42 6.700 44.590 107.035 294 H PHE 43 HN PHE 43 5.509 46.978 106.109 295 HA PHE 43 HA PHE 43 4.248 48.051 108.575 296 1HB PHE 43 HB2 PHE 43 6.172 49.656 106.909 297 2HB PHE 43 HB1 PHE 43 5.524 50.013 108.511 298 HD1 PHE 43 HD2 PHE 43 7.380 47.227 106.792 299 HD2 PHE 43 HD1 PHE 43 6.958 49.656 110.310 300 HE1 PHE 43 HE2 PHE 43 9.309 46.063 107.828 301 HE2 PHE 43 HE1 PHE 43 8.887 48.494 111.346 302 HZ PHE 43 HZ PHE 43 10.064 46.696 110.106 303 H PHE 44 HN PHE 44 2.481 49.104 108.163 304 HA PHE 44 HA PHE 44 1.835 49.864 105.346 305 1HB PHE 44 HB2 PHE 44 -0.263 49.588 107.476 306 2HB PHE 44 HB1 PHE 44 -0.410 49.362 105.734 307 HD1 PHE 44 HD1 PHE 44 1.762 47.560 105.059 308 HD2 PHE 44 HD2 PHE 44 -0.802 47.554 108.505 309 HE1 PHE 44 HE1 PHE 44 2.141 45.125 105.338 310 HE2 PHE 44 HE2 PHE 44 -0.422 45.119 108.785 311 HZ PHE 44 HZ PHE 44 1.050 43.905 107.200 312 H GLY 45 HN GLY 45 -0.017 51.724 105.508 313 1HA GLY 45 HA2 GLY 45 -0.449 53.640 107.278 314 2HA GLY 45 HA1 GLY 45 1.288 53.860 107.112 315 H ASN 46 HN ASN 46 1.350 55.793 106.090 316 HA ASN 46 HA ASN 46 0.016 55.936 103.411 317 1HB ASN 46 HB2 ASN 46 0.219 57.964 105.611 318 2HB ASN 46 HB1 ASN 46 0.174 58.520 103.936 319 1HD2 ASN 46 HD22 ASN 46 -3.350 58.162 105.252 320 2HD2 ASN 46 HD21 ASN 46 -1.989 59.014 105.803 321 HA PRO 47 HA PRO 47 4.440 56.389 102.559 322 1HB PRO 47 HB2 PRO 47 4.262 55.295 100.045 323 2HB PRO 47 HB1 PRO 47 4.427 54.330 101.522 324 1HG PRO 47 HG2 PRO 47 2.027 54.741 99.808 325 2HG PRO 47 HG1 PRO 47 2.419 53.390 100.883 326 1HD PRO 47 HD2 PRO 47 0.619 55.514 101.444 327 2HD PRO 47 HD1 PRO 47 1.229 54.317 102.605 328 H LEU 48 HN LEU 48 1.629 57.762 101.201 329 HA LEU 48 HA LEU 48 3.255 59.473 99.366 330 1HB LEU 48 HB2 LEU 48 1.112 58.095 98.637 331 2HB LEU 48 HB1 LEU 48 0.262 59.477 99.331 332 HG LEU 48 HG LEU 48 2.435 60.458 97.745 333 1HD1 LEU 48 HD12 LEU 48 1.288 58.023 96.732 334 2HD1 LEU 48 HD11 LEU 48 0.826 59.362 95.681 335 3HD1 LEU 48 HD13 LEU 48 2.530 59.040 96.003 336 1HD2 LEU 48 HD23 LEU 48 -0.323 60.939 98.255 337 2HD2 LEU 48 HD22 LEU 48 0.814 61.985 97.406 338 3HD2 LEU 48 HD21 LEU 48 -0.135 60.803 96.506 339 H ALA 49 HN ALA 49 3.230 59.941 102.214 340 HA ALA 49 HA ALA 49 1.570 62.416 102.395 341 1HB ALA 49 HB2 ALA 49 2.288 60.323 104.298 342 2HB ALA 49 HB1 ALA 49 2.671 61.932 104.910 343 3HB ALA 49 HB3 ALA 49 1.024 61.548 104.411 344 HA PRO 50 HA PRO 50 5.272 64.791 102.267 345 1HB PRO 50 HB2 PRO 50 4.416 66.999 103.676 346 2HB PRO 50 HB1 PRO 50 3.940 66.665 102.000 347 1HG PRO 50 HG2 PRO 50 2.347 66.336 104.509 348 2HG PRO 50 HG1 PRO 50 1.792 66.686 102.862 349 1HD PRO 50 HD2 PRO 50 1.666 64.168 104.109 350 2HD PRO 50 HD1 PRO 50 1.536 64.461 102.361 351 H ASN 51 HN ASN 51 3.665 64.081 105.289 352 HA ASN 51 HA ASN 51 6.164 64.617 106.812 353 1HB ASN 51 HB2 ASN 51 3.377 63.935 107.799 354 2HB ASN 51 HB1 ASN 51 4.755 64.359 108.816 355 1HD2 ASN 51 HD22 ASN 51 2.526 67.338 107.418 356 2HD2 ASN 51 HD21 ASN 51 2.011 65.725 107.538 357 HA PRO 52 HA PRO 52 6.872 60.226 106.695 358 1HB PRO 52 HB2 PRO 52 8.955 60.203 108.494 359 2HB PRO 52 HB1 PRO 52 9.120 60.689 106.797 360 1HG PRO 52 HG2 PRO 52 9.069 62.393 109.241 361 2HG PRO 52 HG1 PRO 52 9.849 62.694 107.682 362 1HD PRO 52 HD2 PRO 52 7.421 63.844 108.540 363 2HD PRO 52 HD1 PRO 52 8.022 63.809 106.867 364 H ALA 53 HN ALA 53 5.512 61.979 109.265 365 HA ALA 53 HA ALA 53 5.701 59.962 111.351 366 1HB ALA 53 HB1 ALA 53 4.487 62.585 111.006 367 2HB ALA 53 HB3 ALA 53 3.382 61.471 111.810 368 3HB ALA 53 HB2 ALA 53 4.980 61.774 112.492 369 H ASP 54 HN ASP 54 3.614 60.569 108.618 370 HA ASP 54 HA ASP 54 1.820 58.340 109.475 371 1HB ASP 54 HB2 ASP 54 1.501 60.710 107.666 372 2HB ASP 54 HB1 ASP 54 0.578 59.253 107.296 373 H LYS 55 HN LYS 55 4.550 58.027 108.477 374 HA LYS 55 HA LYS 55 4.485 57.203 105.704 375 1HB LYS 55 HB2 LYS 55 6.475 57.852 107.349 376 2HB LYS 55 HB1 LYS 55 6.497 56.115 107.638 377 1HG LYS 55 HG2 LYS 55 6.497 55.876 105.067 378 2HG LYS 55 HG1 LYS 55 6.917 57.587 105.039 379 1HD LYS 55 HD2 LYS 55 8.465 55.429 106.506 380 2HD LYS 55 HD1 LYS 55 8.945 56.172 104.980 381 1HE LYS 55 HE2 LYS 55 9.599 58.125 105.980 382 2HE LYS 55 HE1 LYS 55 8.326 58.048 107.198 383 1HZ LYS 55 HZ1 LYS 55 9.727 56.002 107.993 384 2HZ LYS 55 HZ3 LYS 55 10.985 56.819 107.203 385 3HZ LYS 55 HZ2 LYS 55 10.142 57.580 108.466 386 H CYS 56 HN CYS 56 5.977 54.637 106.340 387 HA CYS 56 HA CYS 56 3.558 52.933 106.644 388 1HB CYS 56 HB2 CYS 56 6.307 51.994 105.813 389 2HB CYS 56 HB1 CYS 56 4.749 51.238 105.485 390 H LYS 57 HN LYS 57 3.372 52.863 108.932 391 HA LYS 57 HA LYS 57 5.754 51.902 110.437 392 1HB LYS 57 HB2 LYS 57 3.150 52.658 111.733 393 2HB LYS 57 HB1 LYS 57 4.793 52.810 112.360 394 1HG LYS 57 HG2 LYS 57 5.225 54.557 110.596 395 2HG LYS 57 HG1 LYS 57 3.511 54.488 110.185 396 1HD LYS 57 HD2 LYS 57 4.553 55.091 112.965 397 2HD LYS 57 HD1 LYS 57 4.093 56.331 111.798 398 1HE LYS 57 HE2 LYS 57 1.878 54.807 111.686 399 2HE LYS 57 HE1 LYS 57 2.377 54.450 113.339 400 1HZ LYS 57 HZ3 LYS 57 2.599 56.930 113.616 401 2HZ LYS 57 HZ2 LYS 57 1.762 57.088 112.147 402 3HZ LYS 57 HZ1 LYS 57 1.017 56.337 113.476 403 H ALA 58 HN ALA 58 4.514 50.582 112.535 404 HA ALA 58 HA ALA 58 3.904 48.023 111.317 405 1HB ALA 58 HB3 ALA 58 4.061 49.086 114.115 406 2HB ALA 58 HB2 ALA 58 3.245 47.548 113.841 407 3HB ALA 58 HB1 ALA 58 4.936 47.744 113.380 No H/Q in entry = 407 Start of MODEL 10 1 1H ARG 1 HT1 ARG 1 15.030 70.563 92.275 2 2H ARG 1 HT3 ARG 1 16.603 70.772 91.676 3 3H ARG 1 HT2 ARG 1 15.361 71.818 91.178 4 HA ARG 1 HA ARG 1 14.313 70.178 89.903 5 1HB ARG 1 HB2 ARG 1 17.039 70.864 89.508 6 2HB ARG 1 HB1 ARG 1 16.880 69.154 89.103 7 1HG ARG 1 HG2 ARG 1 15.702 69.608 87.231 8 2HG ARG 1 HG1 ARG 1 14.648 70.738 88.083 9 1HD ARG 1 HD2 ARG 1 16.461 72.453 87.964 10 2HD ARG 1 HD1 ARG 1 17.416 71.328 86.997 11 HE ARG 1 HE ARG 1 16.016 71.805 85.150 12 1HH1 ARG 1 HH21 ARG 1 13.368 71.326 85.629 13 2HH1 ARG 1 HH22 ARG 1 12.620 72.850 85.972 14 1HH2 ARG 1 HH11 ARG 1 15.612 74.460 86.670 15 2HH2 ARG 1 HH12 ARG 1 13.891 74.624 86.561 16 HA PRO 2 HA PRO 2 14.688 66.384 92.382 17 1HB PRO 2 HB2 PRO 2 12.015 65.772 92.194 18 2HB PRO 2 HB1 PRO 2 12.688 66.850 93.428 19 1HG PRO 2 HG2 PRO 2 11.107 67.541 90.998 20 2HG PRO 2 HG1 PRO 2 11.266 68.428 92.522 21 1HD PRO 2 HD2 PRO 2 12.594 69.034 90.093 22 2HD PRO 2 HD1 PRO 2 12.971 69.713 91.692 23 H CYS 3 HN CYS 3 13.240 64.177 91.679 24 HA CYS 3 HA CYS 3 14.108 63.720 88.869 25 1HB CYS 3 HB2 CYS 3 14.729 62.229 90.956 26 2HB CYS 3 HB1 CYS 3 13.130 61.539 90.682 27 H GLN 4 HN GLN 4 12.664 62.625 87.399 28 HA GLN 4 HA GLN 4 10.130 63.617 87.047 29 1HB GLN 4 HB2 GLN 4 11.405 61.035 86.299 30 2HB GLN 4 HB1 GLN 4 9.652 61.133 86.127 31 1HG GLN 4 HG2 GLN 4 10.362 63.520 85.052 32 2HG GLN 4 HG1 GLN 4 11.779 62.557 84.629 33 1HE2 GLN 4 HE22 GLN 4 8.130 61.519 83.032 34 2HE2 GLN 4 HE21 GLN 4 8.180 62.423 84.469 35 H CYS 5 HN CYS 5 9.772 60.211 87.786 36 HA CYS 5 HA CYS 5 7.414 60.564 89.274 37 1HB CYS 5 HB2 CYS 5 7.611 58.266 89.903 38 2HB CYS 5 HB1 CYS 5 8.343 58.394 88.306 39 H ASN 6 HN ASN 6 7.063 61.371 91.273 40 HA ASN 6 HA ASN 6 9.410 61.679 93.091 41 1HB ASN 6 HB2 ASN 6 6.730 63.100 93.162 42 2HB ASN 6 HB1 ASN 6 8.141 63.483 94.146 43 1HD2 ASN 6 HD22 ASN 6 7.835 65.296 90.647 44 2HD2 ASN 6 HD21 ASN 6 6.540 64.660 91.544 45 H ASP 7 HN ASP 7 7.375 62.239 95.289 46 HA ASP 7 HA ASP 7 6.035 61.043 96.819 47 1HB ASP 7 HB2 ASP 7 5.263 59.761 94.699 48 2HB ASP 7 HB1 ASP 7 6.417 58.529 95.209 49 H ASN 8 HN ASN 8 8.277 58.496 95.623 50 HA ASN 8 HA ASN 8 9.705 58.711 98.238 51 1HB ASN 8 HB2 ASN 8 8.929 56.057 97.025 52 2HB ASN 8 HB1 ASN 8 9.505 56.380 98.658 53 1HD2 ASN 8 HD22 ASN 8 6.298 57.182 99.904 54 2HD2 ASN 8 HD21 ASN 8 7.952 57.004 100.243 55 H ILE 9 HN ILE 9 11.217 59.792 96.548 56 HA ILE 9 HA ILE 9 13.099 57.691 95.607 57 HB ILE 9 HB ILE 9 13.440 59.095 93.495 58 1HG1 ILE 9 HG12 ILE 9 10.696 60.036 93.508 59 2HG1 ILE 9 HG11 ILE 9 11.611 60.757 94.835 60 1HG2 ILE 9 HG22 ILE 9 12.141 56.890 93.727 61 2HG2 ILE 9 HG21 ILE 9 10.682 57.880 93.721 62 3HG2 ILE 9 HG23 ILE 9 11.757 57.886 92.324 63 1HD1 ILE 9 HD13 ILE 9 13.372 60.827 92.666 64 2HD1 ILE 9 HD12 ILE 9 11.810 61.265 91.974 65 3HD1 ILE 9 HD11 ILE 9 12.470 62.194 93.320 66 H ASP 10 HN ASP 10 15.286 58.406 95.558 67 HA ASP 10 HA ASP 10 15.729 60.978 97.009 68 1HB ASP 10 HB2 ASP 10 17.142 58.346 96.989 69 2HB ASP 10 HB1 ASP 10 18.088 59.799 97.302 70 HA PRO 11 HA PRO 11 17.604 62.300 93.165 71 1HB PRO 11 HB2 PRO 11 18.237 64.819 94.048 72 2HB PRO 11 HB1 PRO 11 16.614 64.349 93.515 73 1HG PRO 11 HG2 PRO 11 17.625 64.805 96.287 74 2HG PRO 11 HG1 PRO 11 15.980 64.977 95.649 75 1HD PRO 11 HD2 PRO 11 16.931 62.798 97.170 76 2HD PRO 11 HD1 PRO 11 15.429 62.832 96.218 77 H ASN 12 HN ASN 12 19.071 61.870 96.204 78 HA ASN 12 HA ASN 12 21.709 62.908 95.505 79 1HB ASN 12 HB2 ASN 12 20.817 62.709 97.866 80 2HB ASN 12 HB1 ASN 12 21.010 60.963 97.724 81 1HD2 ASN 12 HD22 ASN 12 24.525 61.064 98.169 82 2HD2 ASN 12 HD21 ASN 12 23.162 60.097 97.872 83 H ALA 13 HN ALA 13 20.914 59.559 96.495 84 HA ALA 13 HA ALA 13 23.119 58.447 95.044 85 1HB ALA 13 HB3 ALA 13 20.725 57.385 96.460 86 2HB ALA 13 HB2 ALA 13 21.493 56.315 95.285 87 3HB ALA 13 HB1 ALA 13 22.425 56.950 96.641 88 H VAL 14 HN VAL 14 22.736 56.740 93.261 89 HA VAL 14 HA VAL 14 20.892 57.940 91.242 90 HB VAL 14 HB VAL 14 23.256 56.096 90.780 91 1HG1 VAL 14 HG13 VAL 14 21.490 56.149 89.012 92 2HG1 VAL 14 HG12 VAL 14 21.708 57.895 88.890 93 3HG1 VAL 14 HG11 VAL 14 23.029 56.808 88.457 94 1HG2 VAL 14 HG23 VAL 14 23.204 58.852 91.532 95 2HG2 VAL 14 HG22 VAL 14 24.597 57.890 91.038 96 3HG2 VAL 14 HG21 VAL 14 23.662 58.771 89.830 97 H GLY 15 HN GLY 15 19.711 56.429 89.841 98 1HA GLY 15 HA2 GLY 15 18.986 54.129 89.349 99 2HA GLY 15 HA1 GLY 15 19.381 53.705 91.017 100 H ASN 16 HN ASN 16 18.152 56.153 92.123 101 HA ASN 16 HA ASN 16 15.629 55.271 92.838 102 1HB ASN 16 HB2 ASN 16 16.249 58.187 92.285 103 2HB ASN 16 HB1 ASN 16 15.095 57.539 93.449 104 1HD2 ASN 16 HD22 ASN 16 19.075 57.602 94.386 105 2HD2 ASN 16 HD21 ASN 16 18.571 57.940 92.801 106 H CYS 17 HN CYS 17 16.570 56.629 89.758 107 HA CYS 17 HA CYS 17 13.726 56.367 88.879 108 1HB CYS 17 HB2 CYS 17 15.636 58.312 87.598 109 2HB CYS 17 HB1 CYS 17 13.873 58.322 87.581 110 H ASN 18 HN ASN 18 13.565 55.833 86.479 111 HA ASN 18 HA ASN 18 15.833 54.061 85.714 112 1HB ASN 18 HB2 ASN 18 13.502 54.122 83.918 113 2HB ASN 18 HB1 ASN 18 14.313 52.743 84.634 114 1HD2 ASN 18 HD22 ASN 18 12.318 53.416 87.761 115 2HD2 ASN 18 HD21 ASN 18 13.958 53.571 87.385 116 H ARG 19 HN ARG 19 17.218 54.670 84.084 117 HA ARG 19 HA ARG 19 17.146 57.313 83.022 118 1HB ARG 19 HB2 ARG 19 18.614 54.862 82.002 119 2HB ARG 19 HB1 ARG 19 18.942 56.520 81.499 120 1HG ARG 19 HG2 ARG 19 19.121 56.914 84.124 121 2HG ARG 19 HG1 ARG 19 19.501 55.191 84.118 122 1HD ARG 19 HD2 ARG 19 20.874 56.953 82.128 123 2HD ARG 19 HD1 ARG 19 21.419 57.003 83.804 124 HE ARG 19 HE ARG 19 21.274 54.284 83.151 125 1HH1 ARG 19 HH21 ARG 19 23.784 55.880 83.876 126 2HH1 ARG 19 HH22 ARG 19 24.775 55.583 82.487 127 1HH2 ARG 19 HH11 ARG 19 22.156 54.411 80.539 128 2HH2 ARG 19 HH12 ARG 19 23.854 54.749 80.598 129 H LEU 20 HN LEU 20 15.925 54.249 81.703 130 HA LEU 20 HA LEU 20 15.128 55.699 79.232 131 1HB LEU 20 HB2 LEU 20 14.516 53.337 78.455 132 2HB LEU 20 HB1 LEU 20 16.229 53.671 78.703 133 HG LEU 20 HG LEU 20 14.820 52.711 81.108 134 1HD1 LEU 20 HD13 LEU 20 13.877 51.452 78.996 135 2HD1 LEU 20 HD12 LEU 20 15.443 50.643 79.025 136 3HD1 LEU 20 HD11 LEU 20 14.368 50.531 80.418 137 1HD2 LEU 20 HD23 LEU 20 17.444 52.463 79.733 138 2HD2 LEU 20 HD22 LEU 20 17.088 52.686 81.446 139 3HD2 LEU 20 HD21 LEU 20 16.948 51.086 80.718 140 H THR 21 HN THR 21 13.644 53.855 81.914 141 HA THR 21 HA THR 21 10.968 54.199 80.739 142 HB THR 21 HB THR 21 10.602 53.350 83.349 143 HG1 THR 21 HG1 THR 21 12.722 51.787 82.516 144 1HG2 THR 21 HG23 THR 21 11.046 51.885 80.749 145 2HG2 THR 21 HG22 THR 21 10.583 51.040 82.226 146 3HG2 THR 21 HG21 THR 21 9.518 52.267 81.540 147 H GLY 22 HN GLY 22 13.059 56.071 82.742 148 1HA GLY 22 HA2 GLY 22 12.660 57.980 84.061 149 2HA GLY 22 HA1 GLY 22 11.337 58.280 82.933 150 H GLU 23 HN GLU 23 11.782 55.634 85.287 151 HA GLU 23 HA GLU 23 9.325 56.604 86.670 152 1HB GLU 23 HB2 GLU 23 8.202 54.751 86.031 153 2HB GLU 23 HB1 GLU 23 9.583 54.276 85.055 154 1HG GLU 23 HG2 GLU 23 9.358 52.417 86.419 155 2HG GLU 23 HG1 GLU 23 10.501 53.358 87.370 156 H CYS 24 HN CYS 24 9.174 55.447 88.935 157 HA CYS 24 HA CYS 24 11.656 55.962 90.319 158 1HB CYS 24 HB2 CYS 24 9.031 54.717 91.159 159 2HB CYS 24 HB1 CYS 24 10.381 54.902 92.275 160 H LEU 25 HN LEU 25 13.346 54.558 89.795 161 HA LEU 25 HA LEU 25 12.868 51.711 89.428 162 1HB LEU 25 HB2 LEU 25 14.960 53.482 88.767 163 2HB LEU 25 HB1 LEU 25 15.647 52.389 89.902 164 HG LEU 25 HG LEU 25 14.642 51.901 87.147 165 1HD1 LEU 25 HD13 LEU 25 17.082 51.920 88.154 166 2HD1 LEU 25 HD12 LEU 25 16.682 50.257 88.584 167 3HD1 LEU 25 HD11 LEU 25 16.636 50.769 86.896 168 1HD2 LEU 25 HD21 LEU 25 14.034 50.127 89.445 169 2HD2 LEU 25 HD23 LEU 25 13.201 50.302 87.900 170 3HD2 LEU 25 HD22 LEU 25 14.681 49.349 88.001 171 H LYS 26 HN LYS 26 13.328 53.690 92.184 172 HA LYS 26 HA LYS 26 13.570 51.285 93.860 173 1HB LYS 26 HB2 LYS 26 15.914 52.512 93.038 174 2HB LYS 26 HB1 LYS 26 15.640 53.174 94.654 175 1HG LYS 26 HG2 LYS 26 15.423 50.947 95.568 176 2HG LYS 26 HG1 LYS 26 15.572 50.245 93.960 177 1HD LYS 26 HD2 LYS 26 17.844 50.956 93.753 178 2HD LYS 26 HD1 LYS 26 17.714 51.998 95.169 179 1HE LYS 26 HE2 LYS 26 17.968 50.263 96.638 180 2HE LYS 26 HE1 LYS 26 17.080 49.134 95.614 181 1HZ LYS 26 HZ1 LYS 26 19.393 49.834 94.245 182 2HZ LYS 26 HZ3 LYS 26 19.865 49.493 95.839 183 3HZ LYS 26 HZ2 LYS 26 19.012 48.332 94.940 184 H CYS 27 HN CYS 27 11.588 52.045 94.992 185 HA CYS 27 HA CYS 27 11.116 54.691 95.864 186 1HB CYS 27 HB2 CYS 27 10.359 52.070 97.207 187 2HB CYS 27 HB1 CYS 27 9.638 53.632 97.581 188 H ILE 28 HN ILE 28 11.531 55.692 97.989 189 HA ILE 28 HA ILE 28 14.039 54.645 99.193 190 HB ILE 28 HB ILE 28 13.650 57.091 100.354 191 1HG1 ILE 28 HG12 ILE 28 13.001 57.494 97.443 192 2HG1 ILE 28 HG11 ILE 28 11.722 57.348 98.646 193 1HG2 ILE 28 HG23 ILE 28 15.291 55.899 98.224 194 2HG2 ILE 28 HG22 ILE 28 15.173 57.655 98.132 195 3HG2 ILE 28 HG21 ILE 28 15.781 56.889 99.601 196 1HD1 ILE 28 HD12 ILE 28 13.067 59.151 99.958 197 2HD1 ILE 28 HD11 ILE 28 13.841 59.469 98.405 198 3HD1 ILE 28 HD13 ILE 28 12.096 59.662 98.577 199 H TYR 29 HN TYR 29 11.162 56.312 100.439 200 HA TYR 29 HA TYR 29 11.680 55.439 103.143 201 1HB TYR 29 HB2 TYR 29 9.126 56.581 101.989 202 2HB TYR 29 HB1 TYR 29 9.563 56.506 103.695 203 HD1 TYR 29 HD2 TYR 29 12.572 57.114 103.201 204 HD2 TYR 29 HD1 TYR 29 8.942 59.011 101.902 205 HE1 TYR 29 HE2 TYR 29 13.774 59.271 102.985 206 HE2 TYR 29 HE1 TYR 29 10.145 61.166 101.688 207 HH TYR 29 HH TYR 29 13.373 61.597 102.892 208 H ASN 30 HN ASN 30 11.462 53.094 101.454 209 HA ASN 30 HA ASN 30 10.441 50.998 101.476 210 1HB ASN 30 HB2 ASN 30 9.685 52.213 104.108 211 2HB ASN 30 HB1 ASN 30 8.943 50.686 103.626 212 1HD2 ASN 30 HD22 ASN 30 12.003 49.661 105.382 213 2HD2 ASN 30 HD21 ASN 30 10.475 50.294 105.765 214 H THR 31 HN THR 31 9.189 52.086 99.602 215 HA THR 31 HA THR 31 6.286 51.801 100.224 216 HB THR 31 HB THR 31 5.732 53.672 98.802 217 HG1 THR 31 HG1 THR 31 7.356 53.472 97.279 218 1HG2 THR 31 HG23 THR 31 6.971 53.916 101.235 219 2HG2 THR 31 HG22 THR 31 7.951 54.984 100.231 220 3HG2 THR 31 HG21 THR 31 6.212 55.249 100.366 221 H ALA 32 HN ALA 32 5.094 50.822 98.521 222 HA ALA 32 HA ALA 32 6.854 49.603 96.424 223 1HB ALA 32 HB1 ALA 32 5.727 48.036 98.023 224 2HB ALA 32 HB3 ALA 32 4.172 48.598 97.414 225 3HB ALA 32 HB2 ALA 32 5.286 47.751 96.339 226 H GLY 33 HN GLY 33 4.704 48.677 94.779 227 1HA GLY 33 HA2 GLY 33 3.060 49.461 93.243 228 2HA GLY 33 HA1 GLY 33 3.175 51.063 93.967 229 H PHE 34 HN PHE 34 3.321 50.209 91.117 230 HA PHE 34 HA PHE 34 5.898 50.269 90.028 231 1HB PHE 34 HB2 PHE 34 3.690 50.034 88.776 232 2HB PHE 34 HB1 PHE 34 3.535 51.786 88.863 233 HD1 PHE 34 HD2 PHE 34 6.633 49.756 88.368 234 HD2 PHE 34 HD1 PHE 34 3.815 52.481 86.603 235 HE1 PHE 34 HE2 PHE 34 8.093 49.978 86.381 236 HE2 PHE 34 HE1 PHE 34 5.280 52.699 84.616 237 HZ PHE 34 HZ PHE 34 7.416 51.449 84.504 238 H TYR 35 HN TYR 35 4.051 52.942 91.439 239 HA TYR 35 HA TYR 35 6.422 54.700 90.933 240 1HB TYR 35 HB2 TYR 35 3.475 55.258 90.746 241 2HB TYR 35 HB1 TYR 35 4.574 56.559 91.206 242 HD1 TYR 35 HD2 TYR 35 6.881 56.456 89.700 243 HD2 TYR 35 HD1 TYR 35 2.966 55.181 88.480 244 HE1 TYR 35 HE2 TYR 35 7.523 56.761 87.325 245 HE2 TYR 35 HE1 TYR 35 3.607 55.484 86.103 246 HH TYR 35 HH TYR 35 5.380 56.966 84.852 247 H CYS 36 HN CYS 36 6.234 53.040 93.233 248 HA CYS 36 HA CYS 36 6.230 53.159 95.583 249 1HB CYS 36 HB2 CYS 36 6.686 56.110 95.034 250 2HB CYS 36 HB1 CYS 36 7.077 55.252 96.522 251 H ASP 37 HN ASP 37 3.688 53.075 94.545 252 HA ASP 37 HA ASP 37 2.148 55.260 95.842 253 1HB ASP 37 HB2 ASP 37 1.634 53.293 93.676 254 2HB ASP 37 HB1 ASP 37 0.254 53.741 94.680 255 H ARG 38 HN ARG 38 3.402 52.395 96.848 256 HA ARG 38 HA ARG 38 1.109 51.949 98.688 257 1HB ARG 38 HB2 ARG 38 2.009 50.147 96.721 258 2HB ARG 38 HB1 ARG 38 2.645 49.532 98.247 259 1HG ARG 38 HG2 ARG 38 0.439 49.527 99.242 260 2HG ARG 38 HG1 ARG 38 -0.245 50.341 97.835 261 1HD ARG 38 HD2 ARG 38 -0.576 48.357 96.831 262 2HD ARG 38 HD1 ARG 38 1.148 48.008 96.934 263 HE ARG 38 HE ARG 38 0.119 47.471 99.486 264 1HH1 ARG 38 HH11 ARG 38 -2.119 46.703 97.390 265 2HH1 ARG 38 HH12 ARG 38 -1.847 44.994 97.312 266 1HH2 ARG 38 HH21 ARG 38 1.238 45.143 98.886 267 2HH2 ARG 38 HH22 ARG 38 0.054 44.111 98.155 268 H CYS 39 HN CYS 39 2.154 50.180 100.378 269 HA CYS 39 HA CYS 39 4.632 51.492 101.416 270 1HB CYS 39 HB2 CYS 39 2.314 50.229 102.919 271 2HB CYS 39 HB1 CYS 39 3.762 50.843 103.699 272 H LYS 40 HN LYS 40 6.390 50.102 101.692 273 HA LYS 40 HA LYS 40 6.348 47.442 100.739 274 1HB LYS 40 HB2 LYS 40 8.474 48.450 100.904 275 2HB LYS 40 HB1 LYS 40 8.198 48.966 102.566 276 1HG LYS 40 HG2 LYS 40 8.221 46.577 103.279 277 2HG LYS 40 HG1 LYS 40 8.610 46.114 101.621 278 1HD LYS 40 HD2 LYS 40 10.279 47.982 103.331 279 2HD LYS 40 HD1 LYS 40 10.639 46.277 103.060 280 1HE LYS 40 HE2 LYS 40 10.390 48.350 100.861 281 2HE LYS 40 HE1 LYS 40 11.919 47.781 101.533 282 1HZ LYS 40 HZ3 LYS 40 10.854 45.464 100.966 283 2HZ LYS 40 HZ2 LYS 40 9.998 46.385 99.824 284 3HZ LYS 40 HZ1 LYS 40 11.697 46.356 99.796 285 H GLU 41 HN GLU 41 6.207 45.435 101.795 286 HA GLU 41 HA GLU 41 4.385 45.215 103.981 287 1HB GLU 41 HB2 GLU 41 5.079 43.463 102.177 288 2HB GLU 41 HB1 GLU 41 6.373 43.059 103.303 289 1HG GLU 41 HG2 GLU 41 3.526 43.236 104.264 290 2HG GLU 41 HG1 GLU 41 4.115 41.766 103.488 291 H GLY 42 HN GLY 42 4.745 45.368 106.164 292 1HA GLY 42 HA2 GLY 42 6.279 44.585 108.039 293 2HA GLY 42 HA1 GLY 42 7.594 45.301 107.090 294 H PHE 43 HN PHE 43 6.080 47.489 106.105 295 HA PHE 43 HA PHE 43 5.508 48.998 108.599 296 1HB PHE 43 HB2 PHE 43 6.725 50.288 106.168 297 2HB PHE 43 HB1 PHE 43 6.613 50.899 107.821 298 HD1 PHE 43 HD1 PHE 43 8.314 48.473 105.602 299 HD2 PHE 43 HD2 PHE 43 8.185 50.207 109.529 300 HE1 PHE 43 HE1 PHE 43 10.512 47.452 106.124 301 HE2 PHE 43 HE2 PHE 43 10.385 49.187 110.051 302 HZ PHE 43 HZ PHE 43 11.548 47.808 108.349 303 H PHE 44 HN PHE 44 3.669 50.011 108.557 304 HA PHE 44 HA PHE 44 2.108 50.113 106.011 305 1HB PHE 44 HB2 PHE 44 0.830 50.357 108.717 306 2HB PHE 44 HB1 PHE 44 0.154 49.712 107.222 307 HD1 PHE 44 HD1 PHE 44 1.430 47.581 106.259 308 HD2 PHE 44 HD2 PHE 44 1.508 48.847 110.363 309 HE1 PHE 44 HE1 PHE 44 2.062 45.286 106.956 310 HE2 PHE 44 HE2 PHE 44 2.140 46.553 111.058 311 HZ PHE 44 HZ PHE 44 2.417 44.772 109.355 312 H GLY 45 HN GLY 45 0.264 51.980 106.403 313 1HA GLY 45 HA2 GLY 45 0.150 54.242 107.623 314 2HA GLY 45 HA1 GLY 45 1.843 54.401 107.171 315 H ASN 46 HN ASN 46 1.590 56.191 105.860 316 HA ASN 46 HA ASN 46 0.070 55.709 103.322 317 1HB ASN 46 HB2 ASN 46 0.279 58.286 104.905 318 2HB ASN 46 HB1 ASN 46 -0.411 58.168 103.286 319 1HD2 ASN 46 HD22 ASN 46 -3.058 55.891 104.690 320 2HD2 ASN 46 HD21 ASN 46 -1.808 55.681 103.561 321 HA PRO 47 HA PRO 47 4.217 56.572 101.884 322 1HB PRO 47 HB2 PRO 47 3.735 55.928 99.263 323 2HB PRO 47 HB1 PRO 47 4.038 54.726 100.528 324 1HG PRO 47 HG2 PRO 47 1.461 55.449 99.209 325 2HG PRO 47 HG1 PRO 47 1.949 53.919 99.957 326 1HD PRO 47 HD2 PRO 47 0.269 55.871 101.130 327 2HD PRO 47 HD1 PRO 47 1.036 54.510 101.973 328 H LEU 48 HN LEU 48 1.256 58.069 100.818 329 HA LEU 48 HA LEU 48 2.842 60.169 99.400 330 1HB LEU 48 HB2 LEU 48 0.863 58.896 98.265 331 2HB LEU 48 HB1 LEU 48 -0.153 59.951 99.249 332 HG LEU 48 HG LEU 48 1.123 61.918 98.331 333 1HD1 LEU 48 HD11 LEU 48 2.918 59.999 97.501 334 2HD1 LEU 48 HD13 LEU 48 2.058 60.371 96.008 335 3HD1 LEU 48 HD12 LEU 48 2.869 61.657 96.903 336 1HD2 LEU 48 HD22 LEU 48 -1.063 60.816 97.362 337 2HD2 LEU 48 HD21 LEU 48 -0.231 62.063 96.432 338 3HD2 LEU 48 HD23 LEU 48 -0.010 60.362 96.021 339 H ALA 49 HN ALA 49 2.691 60.082 102.286 340 HA ALA 49 HA ALA 49 0.771 62.223 102.994 341 1HB ALA 49 HB3 ALA 49 2.586 60.397 104.555 342 2HB ALA 49 HB2 ALA 49 1.962 61.867 105.303 343 3HB ALA 49 HB1 ALA 49 0.846 60.633 104.721 344 HA PRO 50 HA PRO 50 3.822 65.368 102.624 345 1HB PRO 50 HB2 PRO 50 2.790 67.178 104.428 346 2HB PRO 50 HB1 PRO 50 2.113 66.914 102.811 347 1HG PRO 50 HG2 PRO 50 1.076 65.991 105.459 348 2HG PRO 50 HG1 PRO 50 0.186 66.370 103.974 349 1HD PRO 50 HD2 PRO 50 0.792 63.777 104.877 350 2HD PRO 50 HD1 PRO 50 0.309 64.204 103.221 351 H ASN 51 HN ASN 51 2.927 64.087 105.760 352 HA ASN 51 HA ASN 51 5.527 64.972 106.911 353 1HB ASN 51 HB2 ASN 51 3.108 65.137 108.044 354 2HB ASN 51 HB1 ASN 51 3.499 63.486 108.527 355 1HD2 ASN 51 HD22 ASN 51 5.672 66.603 110.079 356 2HD2 ASN 51 HD21 ASN 51 4.716 66.854 108.698 357 HA PRO 52 HA PRO 52 6.899 60.814 106.094 358 1HB PRO 52 HB2 PRO 52 9.342 61.061 107.345 359 2HB PRO 52 HB1 PRO 52 8.998 61.662 105.714 360 1HG PRO 52 HG2 PRO 52 9.265 63.191 108.263 361 2HG PRO 52 HG1 PRO 52 9.590 63.709 106.600 362 1HD PRO 52 HD2 PRO 52 7.290 64.372 108.083 363 2HD PRO 52 HD1 PRO 52 7.454 64.504 106.318 364 H ALA 53 HN ALA 53 6.282 62.235 109.186 365 HA ALA 53 HA ALA 53 7.091 59.959 110.808 366 1HB ALA 53 HB1 ALA 53 5.242 62.305 111.332 367 2HB ALA 53 HB3 ALA 53 5.629 61.086 112.545 368 3HB ALA 53 HB2 ALA 53 6.903 62.113 111.889 369 H ASP 54 HN ASP 54 4.337 60.793 108.878 370 HA ASP 54 HA ASP 54 2.823 58.472 110.004 371 1HB ASP 54 HB2 ASP 54 2.004 61.079 108.791 372 2HB ASP 54 HB1 ASP 54 0.974 59.680 108.488 373 H LYS 55 HN LYS 55 5.026 58.830 107.802 374 HA LYS 55 HA LYS 55 3.811 58.133 105.311 375 1HB LYS 55 HB2 LYS 55 6.304 58.858 106.062 376 2HB LYS 55 HB1 LYS 55 6.546 57.124 105.866 377 1HG LYS 55 HG2 LYS 55 6.937 57.893 103.695 378 2HG LYS 55 HG1 LYS 55 5.218 57.498 103.616 379 1HD LYS 55 HD2 LYS 55 4.892 59.629 102.942 380 2HD LYS 55 HD1 LYS 55 5.247 60.098 104.605 381 1HE LYS 55 HE2 LYS 55 7.717 60.071 103.930 382 2HE LYS 55 HE1 LYS 55 7.151 59.984 102.261 383 1HZ LYS 55 HZ2 LYS 55 5.993 62.028 104.007 384 2HZ LYS 55 HZ1 LYS 55 7.575 62.274 103.438 385 3HZ LYS 55 HZ3 LYS 55 6.301 62.077 102.336 386 H CYS 56 HN CYS 56 5.603 55.724 104.845 387 HA CYS 56 HA CYS 56 3.697 53.717 105.892 388 1HB CYS 56 HB2 CYS 56 6.057 53.383 104.008 389 2HB CYS 56 HB1 CYS 56 4.845 52.159 104.371 390 H LYS 57 HN LYS 57 4.452 53.906 108.149 391 HA LYS 57 HA LYS 57 7.068 52.520 108.577 392 1HB LYS 57 HB2 LYS 57 5.801 54.770 110.162 393 2HB LYS 57 HB1 LYS 57 7.180 53.832 110.736 394 1HG LYS 57 HG2 LYS 57 7.790 54.614 108.081 395 2HG LYS 57 HG1 LYS 57 7.157 56.045 108.894 396 1HD LYS 57 HD2 LYS 57 8.784 55.011 110.835 397 2HD LYS 57 HD1 LYS 57 9.666 54.565 109.375 398 1HE LYS 57 HE2 LYS 57 8.689 57.260 109.109 399 2HE LYS 57 HE1 LYS 57 9.581 57.107 110.623 400 1HZ LYS 57 HZ3 LYS 57 11.337 55.946 109.258 401 2HZ LYS 57 HZ2 LYS 57 10.521 56.513 107.880 402 3HZ LYS 57 HZ1 LYS 57 11.171 57.613 108.999 403 H ALA 58 HN ALA 58 6.964 51.872 111.166 404 HA ALA 58 HA ALA 58 5.065 49.736 111.296 405 1HB ALA 58 HB1 ALA 58 7.247 50.733 112.893 406 2HB ALA 58 HB3 ALA 58 5.871 50.387 113.938 407 3HB ALA 58 HB2 ALA 58 6.527 49.124 112.897 No H/Q in entry = 407 Start of MODEL 11 1 1H ARG 1 HT3 ARG 1 10.762 66.420 79.604 2 2H ARG 1 HT2 ARG 1 9.396 65.434 79.388 3 3H ARG 1 HT1 ARG 1 9.372 67.050 78.864 4 HA ARG 1 HA ARG 1 9.220 67.900 80.989 5 1HB ARG 1 HB2 ARG 1 7.770 65.245 81.167 6 2HB ARG 1 HB1 ARG 1 7.341 66.746 81.989 7 1HG ARG 1 HG2 ARG 1 7.294 67.707 79.522 8 2HG ARG 1 HG1 ARG 1 7.032 66.015 79.100 9 1HD ARG 1 HD2 ARG 1 5.155 65.969 80.782 10 2HD ARG 1 HD1 ARG 1 5.350 67.713 80.961 11 HE ARG 1 HE ARG 1 5.006 67.570 78.301 12 1HH1 ARG 1 HH11 ARG 1 3.918 64.840 78.364 13 2HH1 ARG 1 HH12 ARG 1 2.224 65.097 78.617 14 1HH2 ARG 1 HH21 ARG 1 2.610 68.365 79.704 15 2HH2 ARG 1 HH22 ARG 1 1.484 67.091 79.376 16 HA PRO 2 HA PRO 2 11.929 66.183 84.002 17 1HB PRO 2 HB2 PRO 2 10.908 67.387 86.254 18 2HB PRO 2 HB1 PRO 2 11.888 68.237 85.046 19 1HG PRO 2 HG2 PRO 2 8.940 68.369 85.510 20 2HG PRO 2 HG1 PRO 2 10.027 69.598 84.842 21 1HD PRO 2 HD2 PRO 2 8.299 67.955 83.336 22 2HD PRO 2 HD1 PRO 2 9.662 68.897 82.692 23 H CYS 3 HN CYS 3 11.980 64.650 85.795 24 HA CYS 3 HA CYS 3 9.919 62.676 85.765 25 1HB CYS 3 HB2 CYS 3 12.412 63.156 87.237 26 2HB CYS 3 HB1 CYS 3 11.187 62.341 88.210 27 H GLN 4 HN GLN 4 8.488 62.103 87.633 28 HA GLN 4 HA GLN 4 7.979 64.145 89.652 29 1HB GLN 4 HB2 GLN 4 5.588 64.506 88.855 30 2HB GLN 4 HB1 GLN 4 6.838 65.274 87.874 31 1HG GLN 4 HG2 GLN 4 6.189 64.103 86.067 32 2HG GLN 4 HG1 GLN 4 6.423 62.586 86.937 33 1HE2 GLN 4 HE22 GLN 4 2.670 64.284 86.966 34 2HE2 GLN 4 HE21 GLN 4 4.025 65.286 86.773 35 H CYS 5 HN CYS 5 7.575 62.885 91.379 36 HA CYS 5 HA CYS 5 5.418 60.913 91.286 37 1HB CYS 5 HB2 CYS 5 6.649 58.958 91.663 38 2HB CYS 5 HB1 CYS 5 7.680 59.798 90.510 39 H ASN 6 HN ASN 6 5.377 59.821 93.642 40 HA ASN 6 HA ASN 6 4.993 61.863 95.540 41 1HB ASN 6 HB2 ASN 6 5.824 58.991 96.086 42 2HB ASN 6 HB1 ASN 6 5.060 60.082 97.244 43 1HD2 ASN 6 HD22 ASN 6 1.839 59.924 95.604 44 2HD2 ASN 6 HD21 ASN 6 2.838 60.986 96.475 45 H ASP 7 HN ASP 7 6.368 62.399 97.453 46 HA ASP 7 HA ASP 7 9.145 62.765 96.619 47 1HB ASP 7 HB2 ASP 7 7.362 63.840 98.669 48 2HB ASP 7 HB1 ASP 7 8.977 63.510 99.298 49 H ASN 8 HN ASN 8 9.550 60.349 96.513 50 HA ASN 8 HA ASN 8 10.609 59.454 99.134 51 1HB ASN 8 HB2 ASN 8 8.916 57.640 97.401 52 2HB ASN 8 HB1 ASN 8 9.564 57.288 99.003 53 1HD2 ASN 8 HD22 ASN 8 5.978 58.988 98.788 54 2HD2 ASN 8 HD21 ASN 8 6.723 58.147 97.515 55 H ILE 9 HN ILE 9 12.474 60.241 97.631 56 HA ILE 9 HA ILE 9 13.685 57.809 96.476 57 HB ILE 9 HB ILE 9 14.355 59.020 94.401 58 1HG1 ILE 9 HG12 ILE 9 12.246 61.064 94.775 59 2HG1 ILE 9 HG11 ILE 9 13.673 61.277 95.790 60 1HG2 ILE 9 HG22 ILE 9 12.356 57.552 94.437 61 2HG2 ILE 9 HG21 ILE 9 11.360 58.936 94.888 62 3HG2 ILE 9 HG23 ILE 9 12.154 58.897 93.313 63 1HD1 ILE 9 HD11 ILE 9 13.897 60.747 92.823 64 2HD1 ILE 9 HD13 ILE 9 13.738 62.381 93.469 65 3HD1 ILE 9 HD12 ILE 9 15.127 61.389 93.913 66 H ASP 10 HN ASP 10 16.091 58.518 95.763 67 HA ASP 10 HA ASP 10 17.085 60.225 98.000 68 1HB ASP 10 HB2 ASP 10 18.871 58.471 96.344 69 2HB ASP 10 HB1 ASP 10 19.036 58.946 98.035 70 HA PRO 11 HA PRO 11 18.368 63.218 95.029 71 1HB PRO 11 HB2 PRO 11 20.238 64.523 96.560 72 2HB PRO 11 HB1 PRO 11 18.488 64.709 96.779 73 1HG PRO 11 HG2 PRO 11 20.440 63.179 98.446 74 2HG PRO 11 HG1 PRO 11 18.913 63.944 98.920 75 1HD PRO 11 HD2 PRO 11 19.284 61.186 98.461 76 2HD PRO 11 HD1 PRO 11 17.721 62.030 98.551 77 H ASN 12 HN ASN 12 20.973 61.504 96.781 78 HA ASN 12 HA ASN 12 22.965 62.149 94.752 79 1HB ASN 12 HB2 ASN 12 23.250 59.912 96.745 80 2HB ASN 12 HB1 ASN 12 24.480 61.012 96.118 81 1HD2 ASN 12 HD22 ASN 12 22.633 63.705 98.135 82 2HD2 ASN 12 HD21 ASN 12 22.633 63.388 96.467 83 H ALA 13 HN ALA 13 20.413 59.839 94.668 84 HA ALA 13 HA ALA 13 21.798 57.611 93.522 85 1HB ALA 13 HB1 ALA 13 19.151 58.208 94.147 86 2HB ALA 13 HB3 ALA 13 19.143 58.066 92.390 87 3HB ALA 13 HB2 ALA 13 19.723 56.726 93.380 88 H VAL 14 HN VAL 14 20.744 57.168 91.000 89 HA VAL 14 HA VAL 14 22.081 59.343 89.448 90 HB VAL 14 HB VAL 14 21.444 56.508 88.588 91 1HG1 VAL 14 HG11 VAL 14 22.002 58.717 87.045 92 2HG1 VAL 14 HG13 VAL 14 23.607 58.030 87.294 93 3HG1 VAL 14 HG12 VAL 14 22.330 57.051 86.570 94 1HG2 VAL 14 HG23 VAL 14 23.952 57.771 89.731 95 2HG2 VAL 14 HG22 VAL 14 23.053 56.398 90.377 96 3HG2 VAL 14 HG21 VAL 14 23.954 56.231 88.870 97 H GLY 15 HN GLY 15 20.065 60.655 89.513 98 1HA GLY 15 HA2 GLY 15 18.313 61.512 88.153 99 2HA GLY 15 HA1 GLY 15 18.371 60.026 87.205 100 H ASN 16 HN ASN 16 18.191 58.441 89.839 101 HA ASN 16 HA ASN 16 16.467 57.395 91.007 102 1HB ASN 16 HB2 ASN 16 15.410 60.233 91.024 103 2HB ASN 16 HB1 ASN 16 14.783 58.923 92.026 104 1HD2 ASN 16 HD22 ASN 16 18.400 60.621 92.928 105 2HD2 ASN 16 HD21 ASN 16 17.664 60.932 91.432 106 H CYS 17 HN CYS 17 16.154 58.040 87.929 107 HA CYS 17 HA CYS 17 13.270 57.271 87.862 108 1HB CYS 17 HB2 CYS 17 14.764 59.030 85.895 109 2HB CYS 17 HB1 CYS 17 13.097 58.485 85.701 110 H ASN 18 HN ASN 18 12.708 55.912 85.965 111 HA ASN 18 HA ASN 18 14.753 53.898 85.506 112 1HB ASN 18 HB2 ASN 18 12.496 53.845 83.630 113 2HB ASN 18 HB1 ASN 18 13.074 52.588 84.701 114 1HD2 ASN 18 HD22 ASN 18 10.458 53.125 87.005 115 2HD2 ASN 18 HD21 ASN 18 11.660 52.089 86.408 116 H ARG 19 HN ARG 19 16.351 54.107 84.038 117 HA ARG 19 HA ARG 19 16.501 56.302 82.218 118 1HB ARG 19 HB2 ARG 19 18.174 54.115 83.033 119 2HB ARG 19 HB1 ARG 19 18.192 54.232 81.273 120 1HG ARG 19 HG2 ARG 19 18.875 56.528 81.342 121 2HG ARG 19 HG1 ARG 19 18.574 56.630 83.077 122 1HD ARG 19 HD2 ARG 19 20.902 56.353 82.980 123 2HD ARG 19 HD1 ARG 19 20.330 54.707 83.250 124 HE ARG 19 HE ARG 19 20.784 55.573 80.446 125 1HH1 ARG 19 HH11 ARG 19 20.571 52.868 80.304 126 2HH1 ARG 19 HH12 ARG 19 22.111 52.195 80.721 127 1HH2 ARG 19 HH21 ARG 19 23.258 55.087 82.254 128 2HH2 ARG 19 HH22 ARG 19 23.632 53.451 81.825 129 H LEU 20 HN LEU 20 14.953 53.204 81.889 130 HA LEU 20 HA LEU 20 14.937 53.509 78.937 131 1HB LEU 20 HB2 LEU 20 13.803 51.250 78.980 132 2HB LEU 20 HB1 LEU 20 15.442 51.274 79.625 133 HG LEU 20 HG LEU 20 13.193 51.718 81.540 134 1HD1 LEU 20 HD12 LEU 20 12.810 49.682 79.872 135 2HD1 LEU 20 HD11 LEU 20 13.989 48.906 80.930 136 3HD1 LEU 20 HD13 LEU 20 12.477 49.523 81.597 137 1HD2 LEU 20 HD21 LEU 20 15.867 51.563 81.840 138 2HD2 LEU 20 HD23 LEU 20 14.746 51.025 83.092 139 3HD2 LEU 20 HD22 LEU 20 15.470 49.853 81.991 140 H THR 21 HN THR 21 12.612 53.372 81.658 141 HA THR 21 HA THR 21 10.415 53.963 79.771 142 HB THR 21 HB THR 21 9.256 54.062 82.228 143 HG1 THR 21 HG1 THR 21 10.450 53.123 83.662 144 1HG2 THR 21 HG22 THR 21 9.557 52.161 80.085 145 2HG2 THR 21 HG21 THR 21 9.483 51.308 81.626 146 3HG2 THR 21 HG23 THR 21 8.182 52.403 81.160 147 H GLY 22 HN GLY 22 11.439 55.358 82.900 148 1HA GLY 22 HA2 GLY 22 12.088 57.793 82.928 149 2HA GLY 22 HA1 GLY 22 10.780 58.055 81.770 150 H GLU 23 HN GLU 23 11.397 57.015 85.156 151 HA GLU 23 HA GLU 23 9.209 58.526 86.210 152 1HB GLU 23 HB2 GLU 23 8.449 56.072 84.976 153 2HB GLU 23 HB1 GLU 23 8.346 55.817 86.717 154 1HG GLU 23 HG2 GLU 23 6.259 56.735 86.386 155 2HG GLU 23 HG1 GLU 23 7.172 58.233 86.589 156 H CYS 24 HN CYS 24 9.040 58.106 88.614 157 HA CYS 24 HA CYS 24 11.492 57.715 89.881 158 1HB CYS 24 HB2 CYS 24 8.656 57.588 90.733 159 2HB CYS 24 HB1 CYS 24 9.805 56.774 91.798 160 H LEU 25 HN LEU 25 12.798 55.979 89.888 161 HA LEU 25 HA LEU 25 11.554 53.259 89.803 162 1HB LEU 25 HB2 LEU 25 12.607 54.039 87.669 163 2HB LEU 25 HB1 LEU 25 14.149 54.139 88.503 164 HG LEU 25 HG LEU 25 13.345 52.029 87.098 165 1HD1 LEU 25 HD12 LEU 25 15.279 52.552 89.156 166 2HD1 LEU 25 HD11 LEU 25 14.768 50.865 89.220 167 3HD1 LEU 25 HD13 LEU 25 15.426 51.532 87.725 168 1HD2 LEU 25 HD22 LEU 25 11.391 51.583 88.544 169 2HD2 LEU 25 HD21 LEU 25 12.541 50.246 88.592 170 3HD2 LEU 25 HD23 LEU 25 12.468 51.396 89.928 171 H LYS 26 HN LYS 26 12.559 54.910 92.126 172 HA LYS 26 HA LYS 26 14.136 52.772 93.371 173 1HB LYS 26 HB2 LYS 26 15.342 55.457 92.725 174 2HB LYS 26 HB1 LYS 26 15.936 54.481 94.065 175 1HG LYS 26 HG2 LYS 26 15.850 52.603 92.106 176 2HG LYS 26 HG1 LYS 26 16.206 54.041 91.148 177 1HD LYS 26 HD2 LYS 26 18.105 54.559 92.644 178 2HD LYS 26 HD1 LYS 26 17.757 53.105 93.580 179 1HE LYS 26 HE2 LYS 26 18.527 51.689 91.929 180 2HE LYS 26 HE1 LYS 26 18.103 52.803 90.628 181 1HZ LYS 26 HZ3 LYS 26 20.075 53.897 92.377 182 2HZ LYS 26 HZ2 LYS 26 20.593 52.429 91.697 183 3HZ LYS 26 HZ1 LYS 26 20.113 53.712 90.692 184 H CYS 27 HN CYS 27 11.774 53.288 94.361 185 HA CYS 27 HA CYS 27 11.334 55.550 95.989 186 1HB CYS 27 HB2 CYS 27 10.489 52.704 96.605 187 2HB CYS 27 HB1 CYS 27 9.708 54.184 97.159 188 H ILE 28 HN ILE 28 11.729 55.922 98.253 189 HA ILE 28 HA ILE 28 13.993 54.286 99.298 190 HB ILE 28 HB ILE 28 14.037 56.572 100.825 191 1HG1 ILE 28 HG12 ILE 28 14.216 58.254 98.793 192 2HG1 ILE 28 HG11 ILE 28 12.974 57.221 98.120 193 1HG2 ILE 28 HG23 ILE 28 15.483 55.859 98.264 194 2HG2 ILE 28 HG22 ILE 28 15.950 57.217 99.288 195 3HG2 ILE 28 HG21 ILE 28 16.024 55.572 99.917 196 1HD1 ILE 28 HD12 ILE 28 12.651 58.095 100.937 197 2HD1 ILE 28 HD11 ILE 28 12.417 59.314 99.683 198 3HD1 ILE 28 HD13 ILE 28 11.428 57.856 99.691 199 H TYR 29 HN TYR 29 11.488 56.336 100.737 200 HA TYR 29 HA TYR 29 11.513 55.154 103.291 201 1HB TYR 29 HB2 TYR 29 9.312 56.617 101.831 202 2HB TYR 29 HB1 TYR 29 9.194 56.137 103.523 203 HD1 TYR 29 HD2 TYR 29 11.825 56.579 104.620 204 HD2 TYR 29 HD1 TYR 29 9.664 58.915 101.736 205 HE1 TYR 29 HE2 TYR 29 13.143 58.582 105.250 206 HE2 TYR 29 HE1 TYR 29 10.979 60.917 102.364 207 HH TYR 29 HH TYR 29 13.584 61.103 103.564 208 H ASN 30 HN ASN 30 11.581 52.849 102.780 209 HA ASN 30 HA ASN 30 10.584 50.746 102.174 210 1HB ASN 30 HB2 ASN 30 8.978 51.899 104.470 211 2HB ASN 30 HB1 ASN 30 9.008 50.193 104.024 212 1HD2 ASN 30 HD22 ASN 30 11.605 50.202 106.531 213 2HD2 ASN 30 HD21 ASN 30 9.928 50.015 106.343 214 H THR 31 HN THR 31 9.601 52.290 100.194 215 HA THR 31 HA THR 31 6.672 51.679 100.288 216 HB THR 31 HB THR 31 6.381 53.539 98.640 217 HG1 THR 31 HG1 THR 31 9.014 54.220 99.421 218 1HG2 THR 31 HG23 THR 31 6.858 53.665 101.447 219 2HG2 THR 31 HG22 THR 31 7.527 55.125 100.717 220 3HG2 THR 31 HG21 THR 31 5.831 54.712 100.469 221 H ALA 32 HN ALA 32 5.757 50.702 98.493 222 HA ALA 32 HA ALA 32 7.722 49.724 96.461 223 1HB ALA 32 HB1 ALA 32 6.304 48.183 98.192 224 2HB ALA 32 HB3 ALA 32 5.173 48.255 96.841 225 3HB ALA 32 HB2 ALA 32 6.805 47.633 96.593 226 H GLY 33 HN GLY 33 6.026 48.755 94.556 227 1HA GLY 33 HA2 GLY 33 4.277 49.358 93.028 228 2HA GLY 33 HA1 GLY 33 4.068 50.876 93.897 229 H PHE 34 HN PHE 34 4.506 50.371 90.997 230 HA PHE 34 HA PHE 34 7.104 50.980 90.138 231 1HB PHE 34 HB2 PHE 34 5.013 50.473 88.717 232 2HB PHE 34 HB1 PHE 34 4.627 52.183 88.865 233 HD1 PHE 34 HD1 PHE 34 8.120 50.949 88.668 234 HD2 PHE 34 HD2 PHE 34 4.839 52.661 86.480 235 HE1 PHE 34 HE1 PHE 34 9.639 51.454 86.786 236 HE2 PHE 34 HE2 PHE 34 6.368 53.167 84.600 237 HZ PHE 34 HZ PHE 34 8.766 52.562 84.750 238 H TYR 35 HN TYR 35 4.742 53.109 91.674 239 HA TYR 35 HA TYR 35 6.756 55.312 91.451 240 1HB TYR 35 HB2 TYR 35 3.869 55.976 91.813 241 2HB TYR 35 HB1 TYR 35 5.130 56.880 90.978 242 HD1 TYR 35 HD2 TYR 35 5.875 56.180 88.701 243 HD2 TYR 35 HD1 TYR 35 2.545 54.328 90.684 244 HE1 TYR 35 HE2 TYR 35 5.117 55.228 86.541 245 HE2 TYR 35 HE1 TYR 35 1.787 53.377 88.525 246 HH TYR 35 HH TYR 35 2.046 53.511 86.267 247 H CYS 36 HN CYS 36 6.587 53.375 93.597 248 HA CYS 36 HA CYS 36 6.420 53.300 95.947 249 1HB CYS 36 HB2 CYS 36 6.435 56.291 96.073 250 2HB CYS 36 HB1 CYS 36 7.372 55.128 97.007 251 H ASP 37 HN ASP 37 3.991 52.971 94.870 252 HA ASP 37 HA ASP 37 2.152 54.982 96.051 253 1HB ASP 37 HB2 ASP 37 1.770 52.676 94.138 254 2HB ASP 37 HB1 ASP 37 0.408 53.534 94.861 255 H ARG 38 HN ARG 38 3.599 52.049 96.961 256 HA ARG 38 HA ARG 38 1.419 51.616 98.943 257 1HB ARG 38 HB2 ARG 38 2.617 49.736 97.001 258 2HB ARG 38 HB1 ARG 38 2.489 49.116 98.647 259 1HG ARG 38 HG2 ARG 38 0.231 48.968 98.530 260 2HG ARG 38 HG1 ARG 38 0.087 50.555 97.773 261 1HD ARG 38 HD2 ARG 38 -0.144 49.631 95.733 262 2HD ARG 38 HD1 ARG 38 1.324 48.677 95.949 263 HE ARG 38 HE ARG 38 -0.474 47.267 97.441 264 1HH1 ARG 38 HH21 ARG 38 0.450 47.068 94.362 265 2HH1 ARG 38 HH22 ARG 38 -1.064 46.568 93.685 266 1HH2 ARG 38 HH11 ARG 38 -2.887 47.295 96.542 267 2HH2 ARG 38 HH12 ARG 38 -2.952 46.691 94.921 268 H CYS 39 HN CYS 39 2.488 49.847 100.568 269 HA CYS 39 HA CYS 39 5.146 50.952 101.378 270 1HB CYS 39 HB2 CYS 39 3.177 49.831 103.367 271 2HB CYS 39 HB1 CYS 39 4.460 51.002 103.640 272 H LYS 40 HN LYS 40 6.732 49.348 101.808 273 HA LYS 40 HA LYS 40 6.345 46.703 100.901 274 1HB LYS 40 HB2 LYS 40 8.590 47.347 101.105 275 2HB LYS 40 HB1 LYS 40 8.347 48.035 102.708 276 1HG LYS 40 HG2 LYS 40 7.987 45.710 103.587 277 2HG LYS 40 HG1 LYS 40 8.421 45.090 101.993 278 1HD LYS 40 HD2 LYS 40 10.506 46.768 102.429 279 2HD LYS 40 HD1 LYS 40 10.141 46.294 104.088 280 1HE LYS 40 HE2 LYS 40 10.518 44.325 101.818 281 2HE LYS 40 HE1 LYS 40 11.797 44.783 102.942 282 1HZ LYS 40 HZ1 LYS 40 9.876 44.175 104.652 283 2HZ LYS 40 HZ3 LYS 40 9.434 43.141 103.383 284 3HZ LYS 40 HZ2 LYS 40 10.984 43.024 104.069 285 H GLU 41 HN GLU 41 5.964 44.736 102.047 286 HA GLU 41 HA GLU 41 3.989 44.823 104.085 287 1HB GLU 41 HB2 GLU 41 4.240 42.440 104.236 288 2HB GLU 41 HB1 GLU 41 4.501 42.872 102.545 289 1HG GLU 41 HG2 GLU 41 7.013 43.031 103.218 290 2HG GLU 41 HG1 GLU 41 6.532 42.078 104.621 291 H GLY 42 HN GLY 42 4.148 45.002 106.296 292 1HA GLY 42 HA2 GLY 42 5.490 44.265 108.326 293 2HA GLY 42 HA1 GLY 42 6.902 44.901 107.466 294 H PHE 43 HN PHE 43 5.562 47.114 106.278 295 HA PHE 43 HA PHE 43 4.869 48.716 108.683 296 1HB PHE 43 HB2 PHE 43 6.144 50.016 106.320 297 2HB PHE 43 HB1 PHE 43 6.133 50.497 108.018 298 HD1 PHE 43 HD2 PHE 43 7.334 47.716 105.798 299 HD2 PHE 43 HD1 PHE 43 8.046 50.076 109.317 300 HE1 PHE 43 HE2 PHE 43 9.514 46.579 106.119 301 HE2 PHE 43 HE1 PHE 43 10.226 48.938 109.637 302 HZ PHE 43 HZ PHE 43 10.961 47.190 108.038 303 H PHE 44 HN PHE 44 3.034 49.696 108.526 304 HA PHE 44 HA PHE 44 1.674 49.888 105.867 305 1HB PHE 44 HB2 PHE 44 0.023 50.128 108.320 306 2HB PHE 44 HB1 PHE 44 -0.314 49.271 106.818 307 HD1 PHE 44 HD2 PHE 44 0.838 47.046 106.386 308 HD2 PHE 44 HD1 PHE 44 0.907 48.997 110.212 309 HE1 PHE 44 HE2 PHE 44 1.483 44.909 107.466 310 HE2 PHE 44 HE1 PHE 44 1.551 46.859 111.291 311 HZ PHE 44 HZ PHE 44 1.840 44.815 109.918 312 H GLY 45 HN GLY 45 -0.042 51.779 105.939 313 1HA GLY 45 HA2 GLY 45 -0.347 53.982 107.300 314 2HA GLY 45 HA1 GLY 45 1.388 54.148 107.060 315 H ASN 46 HN ASN 46 1.215 56.034 105.811 316 HA ASN 46 HA ASN 46 -0.145 55.687 103.163 317 1HB ASN 46 HB2 ASN 46 0.248 58.069 104.950 318 2HB ASN 46 HB1 ASN 46 0.069 58.305 103.211 319 1HD2 ASN 46 HD22 ASN 46 -3.244 57.852 105.306 320 2HD2 ASN 46 HD21 ASN 46 -1.763 58.422 105.909 321 HA PRO 47 HA PRO 47 4.200 55.865 101.944 322 1HB PRO 47 HB2 PRO 47 3.787 54.662 99.515 323 2HB PRO 47 HB1 PRO 47 3.958 53.756 101.027 324 1HG PRO 47 HG2 PRO 47 1.491 54.310 99.442 325 2HG PRO 47 HG1 PRO 47 1.847 52.952 100.517 326 1HD PRO 47 HD2 PRO 47 0.248 55.195 101.159 327 2HD PRO 47 HD1 PRO 47 0.891 54.011 102.316 328 H LEU 48 HN LEU 48 1.347 57.221 100.594 329 HA LEU 48 HA LEU 48 2.940 58.854 98.662 330 1HB LEU 48 HB2 LEU 48 0.767 59.326 97.575 331 2HB LEU 48 HB1 LEU 48 1.078 57.592 97.658 332 HG LEU 48 HG LEU 48 -0.255 58.508 100.064 333 1HD1 LEU 48 HD13 LEU 48 -1.434 59.250 97.394 334 2HD1 LEU 48 HD12 LEU 48 -2.484 58.830 98.747 335 3HD1 LEU 48 HD11 LEU 48 -1.378 60.198 98.880 336 1HD2 LEU 48 HD23 LEU 48 -0.985 56.576 97.841 337 2HD2 LEU 48 HD22 LEU 48 -0.159 56.174 99.346 338 3HD2 LEU 48 HD21 LEU 48 -1.840 56.703 99.378 339 H ALA 49 HN ALA 49 2.969 59.469 101.473 340 HA ALA 49 HA ALA 49 1.179 61.840 101.650 341 1HB ALA 49 HB2 ALA 49 2.829 60.380 103.730 342 2HB ALA 49 HB1 ALA 49 1.952 61.876 104.055 343 3HB ALA 49 HB3 ALA 49 1.070 60.418 103.599 344 HA PRO 50 HA PRO 50 4.603 64.506 100.879 345 1HB PRO 50 HB2 PRO 50 3.615 66.781 102.069 346 2HB PRO 50 HB1 PRO 50 3.067 66.184 100.492 347 1HG PRO 50 HG2 PRO 50 1.691 66.036 103.141 348 2HG PRO 50 HG1 PRO 50 0.990 66.107 101.515 349 1HD PRO 50 HD2 PRO 50 1.224 63.780 103.078 350 2HD PRO 50 HD1 PRO 50 0.938 63.823 101.324 351 H ASN 51 HN ASN 51 3.380 63.936 104.098 352 HA ASN 51 HA ASN 51 5.835 65.084 105.311 353 1HB ASN 51 HB2 ASN 51 3.208 64.136 106.468 354 2HB ASN 51 HB1 ASN 51 4.594 64.547 107.478 355 1HD2 ASN 51 HD22 ASN 51 2.895 67.599 105.286 356 2HD2 ASN 51 HD21 ASN 51 2.899 66.029 104.641 357 HA PRO 52 HA PRO 52 7.443 60.954 105.548 358 1HB PRO 52 HB2 PRO 52 9.569 61.534 107.199 359 2HB PRO 52 HB1 PRO 52 9.548 61.879 105.460 360 1HG PRO 52 HG2 PRO 52 9.237 63.766 107.754 361 2HG PRO 52 HG1 PRO 52 9.874 64.067 106.129 362 1HD PRO 52 HD2 PRO 52 7.296 64.773 107.020 363 2HD PRO 52 HD1 PRO 52 7.819 64.682 105.323 364 H ALA 53 HN ALA 53 6.412 62.856 108.306 365 HA ALA 53 HA ALA 53 6.809 60.752 110.278 366 1HB ALA 53 HB3 ALA 53 6.501 63.337 110.632 367 2HB ALA 53 HB2 ALA 53 4.781 62.954 110.583 368 3HB ALA 53 HB1 ALA 53 5.813 62.218 111.809 369 H ASP 54 HN ASP 54 4.315 61.631 107.997 370 HA ASP 54 HA ASP 54 2.497 59.570 109.169 371 1HB ASP 54 HB2 ASP 54 2.077 62.039 107.536 372 2HB ASP 54 HB1 ASP 54 0.955 60.698 107.299 373 H LYS 55 HN LYS 55 4.836 58.790 107.683 374 HA LYS 55 HA LYS 55 3.866 58.076 104.991 375 1HB LYS 55 HB2 LYS 55 6.306 58.759 105.778 376 2HB LYS 55 HB1 LYS 55 6.434 57.036 106.125 377 1HG LYS 55 HG2 LYS 55 6.603 56.530 103.932 378 2HG LYS 55 HG1 LYS 55 5.183 57.501 103.541 379 1HD LYS 55 HD2 LYS 55 7.431 59.197 104.246 380 2HD LYS 55 HD1 LYS 55 7.849 58.116 102.917 381 1HE LYS 55 HE2 LYS 55 5.546 60.073 103.050 382 2HE LYS 55 HE1 LYS 55 6.891 60.064 101.910 383 1HZ LYS 55 HZ3 LYS 55 5.930 57.661 101.456 384 2HZ LYS 55 HZ2 LYS 55 4.492 58.404 101.974 385 3HZ LYS 55 HZ1 LYS 55 5.346 59.032 100.645 386 H CYS 56 HN CYS 56 5.496 55.507 105.161 387 HA CYS 56 HA CYS 56 3.331 53.874 106.387 388 1HB CYS 56 HB2 CYS 56 5.530 53.046 104.472 389 2HB CYS 56 HB1 CYS 56 4.213 52.026 105.045 390 H LYS 57 HN LYS 57 3.834 53.478 108.508 391 HA LYS 57 HA LYS 57 6.575 52.410 109.053 392 1HB LYS 57 HB2 LYS 57 4.959 54.461 110.504 393 2HB LYS 57 HB1 LYS 57 5.923 53.347 111.475 394 1HG LYS 57 HG2 LYS 57 7.070 54.874 109.127 395 2HG LYS 57 HG1 LYS 57 7.105 55.497 110.777 396 1HD LYS 57 HD2 LYS 57 8.041 52.707 110.478 397 2HD LYS 57 HD1 LYS 57 9.062 53.924 109.709 398 1HE LYS 57 HE2 LYS 57 8.089 54.490 112.474 399 2HE LYS 57 HE1 LYS 57 9.359 53.282 112.287 400 1HZ LYS 57 HZ1 LYS 57 9.458 56.031 111.171 401 2HZ LYS 57 HZ3 LYS 57 10.232 55.538 112.597 402 3HZ LYS 57 HZ2 LYS 57 10.697 54.871 111.106 403 H ALA 58 HN ALA 58 6.487 51.093 111.227 404 HA ALA 58 HA ALA 58 4.335 49.117 110.894 405 1HB ALA 58 HB3 ALA 58 6.674 48.391 111.303 406 2HB ALA 58 HB2 ALA 58 6.634 49.190 112.874 407 3HB ALA 58 HB1 ALA 58 5.582 47.809 112.560 No H/Q in entry = 407 Start of MODEL 12 1 1H ARG 1 HT1 ARG 1 10.196 61.598 80.054 2 2H ARG 1 HT3 ARG 1 10.568 63.222 79.737 3 3H ARG 1 HT2 ARG 1 11.136 62.005 78.698 4 HA ARG 1 HA ARG 1 13.015 62.372 79.897 5 1HB ARG 1 HB2 ARG 1 12.575 62.616 82.556 6 2HB ARG 1 HB1 ARG 1 12.612 63.994 81.460 7 1HG ARG 1 HG2 ARG 1 9.974 62.729 81.544 8 2HG ARG 1 HG1 ARG 1 10.501 63.290 83.129 9 1HD ARG 1 HD2 ARG 1 10.802 65.068 80.721 10 2HD ARG 1 HD1 ARG 1 9.263 64.975 81.577 11 HE ARG 1 HE ARG 1 11.206 65.398 83.554 12 1HH1 ARG 1 HH21 ARG 1 10.918 66.918 80.523 13 2HH1 ARG 1 HH22 ARG 1 10.892 68.526 81.163 14 1HH2 ARG 1 HH11 ARG 1 10.794 67.497 84.470 15 2HH2 ARG 1 HH12 ARG 1 10.822 68.854 83.394 16 HA PRO 2 HA PRO 2 13.429 58.265 81.379 17 1HB PRO 2 HB2 PRO 2 15.625 58.488 83.018 18 2HB PRO 2 HB1 PRO 2 15.712 58.544 81.249 19 1HG PRO 2 HG2 PRO 2 15.955 60.776 83.212 20 2HG PRO 2 HG1 PRO 2 16.631 60.638 81.581 21 1HD PRO 2 HD2 PRO 2 14.344 62.136 82.306 22 2HD PRO 2 HD1 PRO 2 14.838 61.717 80.652 23 H CYS 3 HN CYS 3 14.180 60.372 84.195 24 HA CYS 3 HA CYS 3 12.895 58.478 86.017 25 1HB CYS 3 HB2 CYS 3 13.830 61.297 86.622 26 2HB CYS 3 HB1 CYS 3 13.590 59.980 87.770 27 H GLN 4 HN GLN 4 11.278 59.551 87.681 28 HA GLN 4 HA GLN 4 9.603 61.709 86.892 29 1HB GLN 4 HB2 GLN 4 9.097 60.201 84.968 30 2HB GLN 4 HB1 GLN 4 8.481 59.003 86.107 31 1HG GLN 4 HG2 GLN 4 6.499 60.077 85.658 32 2HG GLN 4 HG1 GLN 4 7.073 61.134 86.948 33 1HE2 GLN 4 HE22 GLN 4 6.458 63.688 84.518 34 2HE2 GLN 4 HE21 GLN 4 5.806 62.902 85.874 35 H CYS 5 HN CYS 5 7.461 59.232 87.674 36 HA CYS 5 HA CYS 5 6.184 59.607 89.795 37 1HB CYS 5 HB2 CYS 5 6.710 57.471 90.911 38 2HB CYS 5 HB1 CYS 5 6.616 57.284 89.161 39 H ASN 6 HN ASN 6 6.869 61.541 90.869 40 HA ASN 6 HA ASN 6 9.308 61.543 92.474 41 1HB ASN 6 HB2 ASN 6 6.939 63.441 92.493 42 2HB ASN 6 HB1 ASN 6 8.497 63.734 93.265 43 1HD2 ASN 6 HD22 ASN 6 8.281 65.129 89.682 44 2HD2 ASN 6 HD21 ASN 6 7.121 65.150 90.922 45 H ASP 7 HN ASP 7 7.526 62.969 94.655 46 HA ASP 7 HA ASP 7 6.412 62.364 96.621 47 1HB ASP 7 HB2 ASP 7 6.065 59.628 95.368 48 2HB ASP 7 HB1 ASP 7 5.166 60.297 96.726 49 H ASN 8 HN ASN 8 7.780 59.144 95.889 50 HA ASN 8 HA ASN 8 9.542 59.551 98.271 51 1HB ASN 8 HB2 ASN 8 8.724 56.839 97.260 52 2HB ASN 8 HB1 ASN 8 9.229 57.312 98.883 53 1HD2 ASN 8 HD22 ASN 8 5.931 59.116 99.229 54 2HD2 ASN 8 HD21 ASN 8 7.539 59.649 99.144 55 H ILE 9 HN ILE 9 11.064 60.486 96.599 56 HA ILE 9 HA ILE 9 12.917 58.373 95.743 57 HB ILE 9 HB ILE 9 13.055 59.201 93.415 58 1HG1 ILE 9 HG12 ILE 9 10.838 60.572 92.823 59 2HG1 ILE 9 HG11 ILE 9 11.023 61.107 94.494 60 1HG2 ILE 9 HG22 ILE 9 11.424 57.352 94.233 61 2HG2 ILE 9 HG21 ILE 9 10.162 58.559 93.990 62 3HG2 ILE 9 HG23 ILE 9 11.155 58.037 92.629 63 1HD1 ILE 9 HD11 ILE 9 13.602 61.202 93.321 64 2HD1 ILE 9 HD13 ILE 9 12.496 61.944 92.166 65 3HD1 ILE 9 HD12 ILE 9 12.597 62.565 93.814 66 H ASP 10 HN ASP 10 15.041 59.186 95.553 67 HA ASP 10 HA ASP 10 15.346 62.000 96.494 68 1HB ASP 10 HB2 ASP 10 16.861 59.480 96.973 69 2HB ASP 10 HB1 ASP 10 17.789 60.980 96.919 70 HA PRO 11 HA PRO 11 17.037 62.740 92.435 71 1HB PRO 11 HB2 PRO 11 17.694 65.369 92.887 72 2HB PRO 11 HB1 PRO 11 16.050 64.818 92.523 73 1HG PRO 11 HG2 PRO 11 17.210 65.677 95.137 74 2HG PRO 11 HG1 PRO 11 15.535 65.768 94.569 75 1HD PRO 11 HD2 PRO 11 16.547 63.834 96.350 76 2HD PRO 11 HD1 PRO 11 15.016 63.719 95.454 77 H ASN 12 HN ASN 12 18.695 62.936 95.446 78 HA ASN 12 HA ASN 12 21.281 63.712 94.328 79 1HB ASN 12 HB2 ASN 12 20.517 62.525 97.015 80 2HB ASN 12 HB1 ASN 12 22.135 63.089 96.596 81 1HD2 ASN 12 HD22 ASN 12 20.683 66.538 96.145 82 2HD2 ASN 12 HD21 ASN 12 21.394 65.423 95.081 83 H ALA 13 HN ALA 13 20.461 60.719 96.122 84 HA ALA 13 HA ALA 13 22.560 59.183 95.008 85 1HB ALA 13 HB3 ALA 13 20.019 58.598 96.432 86 2HB ALA 13 HB2 ALA 13 20.705 57.269 95.495 87 3HB ALA 13 HB1 ALA 13 21.656 58.032 96.770 88 H VAL 14 HN VAL 14 22.313 57.349 93.423 89 HA VAL 14 HA VAL 14 20.502 58.193 91.202 90 HB VAL 14 HB VAL 14 22.948 56.419 90.992 91 1HG1 VAL 14 HG12 VAL 14 20.864 57.251 89.192 92 2HG1 VAL 14 HG11 VAL 14 22.395 57.942 88.657 93 3HG1 VAL 14 HG13 VAL 14 22.240 56.198 88.866 94 1HG2 VAL 14 HG23 VAL 14 22.705 59.323 91.337 95 2HG2 VAL 14 HG22 VAL 14 24.136 58.299 91.443 96 3HG2 VAL 14 HG21 VAL 14 23.579 58.876 89.873 97 H GLY 15 HN GLY 15 19.340 56.526 90.060 98 1HA GLY 15 HA2 GLY 15 18.830 54.103 89.804 99 2HA GLY 15 HA1 GLY 15 19.174 53.925 91.527 100 H ASN 16 HN ASN 16 17.737 56.485 92.162 101 HA ASN 16 HA ASN 16 15.267 55.564 92.981 102 1HB ASN 16 HB2 ASN 16 15.637 58.339 91.826 103 2HB ASN 16 HB1 ASN 16 14.534 57.845 93.111 104 1HD2 ASN 16 HD22 ASN 16 18.449 58.584 93.985 105 2HD2 ASN 16 HD21 ASN 16 17.910 58.591 92.375 106 H CYS 17 HN CYS 17 16.204 56.389 89.709 107 HA CYS 17 HA CYS 17 13.448 55.620 88.842 108 1HB CYS 17 HB2 CYS 17 14.010 57.101 86.781 109 2HB CYS 17 HB1 CYS 17 13.530 57.903 88.276 110 H ASN 18 HN ASN 18 13.382 54.304 86.910 111 HA ASN 18 HA ASN 18 15.828 52.735 86.491 112 1HB ASN 18 HB2 ASN 18 13.345 52.388 84.822 113 2HB ASN 18 HB1 ASN 18 14.474 51.165 85.374 114 1HD2 ASN 18 HD22 ASN 18 11.687 50.472 87.541 115 2HD2 ASN 18 HD21 ASN 18 12.284 50.119 85.993 116 H ARG 19 HN ARG 19 17.286 53.185 84.866 117 HA ARG 19 HA ARG 19 16.933 55.476 83.183 118 1HB ARG 19 HB2 ARG 19 19.002 53.528 83.724 119 2HB ARG 19 HB1 ARG 19 18.887 53.838 81.991 120 1HG ARG 19 HG2 ARG 19 18.719 56.366 82.828 121 2HG ARG 19 HG1 ARG 19 19.598 55.709 84.210 122 1HD ARG 19 HD2 ARG 19 20.869 54.592 81.983 123 2HD ARG 19 HD1 ARG 19 20.557 56.264 81.519 124 HE ARG 19 HE ARG 19 21.855 55.703 84.141 125 1HH1 ARG 19 HH11 ARG 19 22.573 56.179 80.886 126 2HH1 ARG 19 HH12 ARG 19 23.684 57.482 81.144 127 1HH2 ARG 19 HH21 ARG 19 22.982 57.759 84.529 128 2HH2 ARG 19 HH22 ARG 19 23.915 58.378 83.208 129 H LEU 20 HN LEU 20 16.378 52.019 82.645 130 HA LEU 20 HA LEU 20 15.684 52.592 79.812 131 1HB LEU 20 HB2 LEU 20 15.520 50.080 79.646 132 2HB LEU 20 HB1 LEU 20 17.116 50.682 80.098 133 HG LEU 20 HG LEU 20 15.576 50.340 82.487 134 1HD1 LEU 20 HD13 LEU 20 14.220 48.759 81.150 135 2HD1 LEU 20 HD12 LEU 20 15.689 47.893 80.697 136 3HD1 LEU 20 HD11 LEU 20 15.164 47.917 82.381 137 1HD2 LEU 20 HD22 LEU 20 18.170 49.905 81.506 138 2HD2 LEU 20 HD21 LEU 20 17.612 49.634 83.158 139 3HD2 LEU 20 HD23 LEU 20 17.597 48.310 81.993 140 H THR 21 HN THR 21 14.135 51.467 82.818 141 HA THR 21 HA THR 21 11.595 51.001 81.396 142 HB THR 21 HB THR 21 11.247 50.998 84.231 143 HG1 THR 21 HG1 THR 21 13.510 49.552 83.323 144 1HG2 THR 21 HG21 THR 21 11.408 48.921 82.051 145 2HG2 THR 21 HG23 THR 21 11.102 48.473 83.730 146 3HG2 THR 21 HG22 THR 21 9.977 49.532 82.880 147 H GLY 22 HN GLY 22 13.129 53.568 83.210 148 1HA GLY 22 HA2 GLY 22 12.360 55.727 83.743 149 2HA GLY 22 HA1 GLY 22 11.139 55.485 82.490 150 H GLU 23 HN GLU 23 11.845 54.436 85.865 151 HA GLU 23 HA GLU 23 9.144 55.140 86.695 152 1HB GLU 23 HB2 GLU 23 8.147 53.059 86.734 153 2HB GLU 23 HB1 GLU 23 9.281 52.747 85.426 154 1HG GLU 23 HG2 GLU 23 9.878 50.966 86.710 155 2HG GLU 23 HG1 GLU 23 10.845 52.156 87.577 156 H CYS 24 HN CYS 24 8.887 54.443 89.149 157 HA CYS 24 HA CYS 24 11.255 55.270 90.545 158 1HB CYS 24 HB2 CYS 24 8.598 54.135 91.362 159 2HB CYS 24 HB1 CYS 24 9.890 54.245 92.556 160 H LEU 25 HN LEU 25 13.042 53.936 90.261 161 HA LEU 25 HA LEU 25 12.744 51.023 90.413 162 1HB LEU 25 HB2 LEU 25 14.545 52.660 89.133 163 2HB LEU 25 HB1 LEU 25 15.472 52.160 90.510 164 HG LEU 25 HG LEU 25 14.665 50.692 88.114 165 1HD1 LEU 25 HD11 LEU 25 16.969 51.173 89.510 166 2HD1 LEU 25 HD13 LEU 25 16.601 49.516 89.991 167 3HD1 LEU 25 HD12 LEU 25 16.784 49.919 88.283 168 1HD2 LEU 25 HD23 LEU 25 14.202 49.466 90.833 169 2HD2 LEU 25 HD22 LEU 25 13.125 49.470 89.436 170 3HD2 LEU 25 HD21 LEU 25 14.585 48.481 89.420 171 H LYS 26 HN LYS 26 13.684 53.651 92.531 172 HA LYS 26 HA LYS 26 14.028 51.655 94.715 173 1HB LYS 26 HB2 LYS 26 16.184 53.001 93.511 174 2HB LYS 26 HB1 LYS 26 15.912 53.818 95.056 175 1HG LYS 26 HG2 LYS 26 17.002 52.120 96.030 176 2HG LYS 26 HG1 LYS 26 15.617 51.115 95.617 177 1HD LYS 26 HD2 LYS 26 16.733 50.874 93.297 178 2HD LYS 26 HD1 LYS 26 18.189 51.465 94.096 179 1HE LYS 26 HE2 LYS 26 16.570 49.050 94.962 180 2HE LYS 26 HE1 LYS 26 18.111 48.993 94.105 181 1HZ LYS 26 HZ1 LYS 26 19.128 50.185 95.957 182 2HZ LYS 26 HZ3 LYS 26 17.648 50.186 96.785 183 3HZ LYS 26 HZ2 LYS 26 18.442 48.717 96.467 184 H CYS 27 HN CYS 27 11.795 52.612 95.294 185 HA CYS 27 HA CYS 27 11.353 55.341 95.868 186 1HB CYS 27 HB2 CYS 27 10.307 52.884 97.324 187 2HB CYS 27 HB1 CYS 27 9.639 54.505 97.490 188 H ILE 28 HN ILE 28 11.570 56.521 97.898 189 HA ILE 28 HA ILE 28 13.935 55.626 99.414 190 HB ILE 28 HB ILE 28 13.269 58.042 100.518 191 1HG1 ILE 28 HG12 ILE 28 12.816 58.392 97.564 192 2HG1 ILE 28 HG11 ILE 28 11.462 58.146 98.664 193 1HG2 ILE 28 HG21 ILE 28 15.361 56.936 99.145 194 2HG2 ILE 28 HG23 ILE 28 14.849 58.201 98.027 195 3HG2 ILE 28 HG22 ILE 28 15.307 58.616 99.679 196 1HD1 ILE 28 HD13 ILE 28 11.544 60.309 99.264 197 2HD1 ILE 28 HD12 ILE 28 13.201 60.090 99.825 198 3HD1 ILE 28 HD11 ILE 28 12.890 60.559 98.152 199 H TYR 29 HN TYR 29 10.897 57.145 100.467 200 HA TYR 29 HA TYR 29 11.217 56.196 103.166 201 1HB TYR 29 HB2 TYR 29 8.711 57.254 101.845 202 2HB TYR 29 HB1 TYR 29 9.033 57.172 103.576 203 HD1 TYR 29 HD1 TYR 29 11.267 58.356 104.368 204 HD2 TYR 29 HD2 TYR 29 9.209 59.232 100.702 205 HE1 TYR 29 HE1 TYR 29 12.388 60.564 104.265 206 HE2 TYR 29 HE2 TYR 29 10.332 61.440 100.598 207 HH TYR 29 HH TYR 29 12.659 62.432 103.116 208 H ASN 30 HN ASN 30 11.463 53.821 102.458 209 HA ASN 30 HA ASN 30 10.548 51.669 102.030 210 1HB ASN 30 HB2 ASN 30 8.623 52.304 104.218 211 2HB ASN 30 HB1 ASN 30 9.714 50.930 104.044 212 1HD2 ASN 30 HD22 ASN 30 12.569 53.105 105.087 213 2HD2 ASN 30 HD21 ASN 30 12.193 52.197 103.704 214 H THR 31 HN THR 31 9.390 53.070 100.065 215 HA THR 31 HA THR 31 6.494 52.327 100.312 216 HB THR 31 HB THR 31 6.148 54.142 98.529 217 HG1 THR 31 HG1 THR 31 8.432 55.351 99.539 218 1HG2 THR 31 HG21 THR 31 5.979 54.204 101.236 219 2HG2 THR 31 HG23 THR 31 7.133 55.512 100.962 220 3HG2 THR 31 HG22 THR 31 5.542 55.565 100.203 221 H ALA 32 HN ALA 32 5.520 51.422 98.406 222 HA ALA 32 HA ALA 32 7.513 50.473 96.378 223 1HB ALA 32 HB1 ALA 32 6.346 48.828 98.162 224 2HB ALA 32 HB3 ALA 32 5.091 48.827 96.923 225 3HB ALA 32 HB2 ALA 32 6.729 48.318 96.517 226 H GLY 33 HN GLY 33 5.654 49.242 94.661 227 1HA GLY 33 HA2 GLY 33 3.812 49.727 93.208 228 2HA GLY 33 HA1 GLY 33 3.632 51.295 93.996 229 H PHE 34 HN PHE 34 3.797 50.760 91.121 230 HA PHE 34 HA PHE 34 6.305 51.246 89.972 231 1HB PHE 34 HB2 PHE 34 3.737 51.069 89.009 232 2HB PHE 34 HB1 PHE 34 4.061 52.781 88.765 233 HD1 PHE 34 HD1 PHE 34 5.617 49.414 88.193 234 HD2 PHE 34 HD2 PHE 34 5.202 53.463 86.816 235 HE1 PHE 34 HE1 PHE 34 6.942 48.866 86.178 236 HE2 PHE 34 HE2 PHE 34 6.530 52.910 84.804 237 HZ PHE 34 HZ PHE 34 7.401 50.614 84.481 238 H TYR 35 HN TYR 35 4.119 53.570 91.550 239 HA TYR 35 HA TYR 35 6.252 55.636 91.156 240 1HB TYR 35 HB2 TYR 35 3.499 56.517 91.851 241 2HB TYR 35 HB1 TYR 35 4.678 57.257 90.771 242 HD1 TYR 35 HD2 TYR 35 5.217 55.904 88.575 243 HD2 TYR 35 HD1 TYR 35 1.669 55.391 90.941 244 HE1 TYR 35 HE2 TYR 35 4.058 54.905 86.624 245 HE2 TYR 35 HE1 TYR 35 0.513 54.389 88.990 246 HH TYR 35 HH TYR 35 1.882 53.121 86.497 247 H CYS 36 HN CYS 36 6.284 53.746 93.320 248 HA CYS 36 HA CYS 36 6.362 53.684 95.674 249 1HB CYS 36 HB2 CYS 36 6.647 56.686 95.362 250 2HB CYS 36 HB1 CYS 36 7.213 55.700 96.709 251 H ASP 37 HN ASP 37 3.729 53.988 94.399 252 HA ASP 37 HA ASP 37 2.242 55.822 96.171 253 1HB ASP 37 HB2 ASP 37 1.834 54.895 93.584 254 2HB ASP 37 HB1 ASP 37 0.657 53.984 94.531 255 H ARG 38 HN ARG 38 3.610 52.998 96.818 256 HA ARG 38 HA ARG 38 1.319 52.111 98.489 257 1HB ARG 38 HB2 ARG 38 2.243 50.678 96.332 258 2HB ARG 38 HB1 ARG 38 3.176 49.983 97.658 259 1HG ARG 38 HG2 ARG 38 1.180 48.704 97.611 260 2HG ARG 38 HG1 ARG 38 0.936 49.852 98.927 261 1HD ARG 38 HD2 ARG 38 -0.934 50.561 97.895 262 2HD ARG 38 HD1 ARG 38 0.072 51.169 96.581 263 HE ARG 38 HE ARG 38 -0.876 48.336 96.573 264 1HH1 ARG 38 HH11 ARG 38 0.817 49.898 94.449 265 2HH1 ARG 38 HH12 ARG 38 -0.389 50.122 93.227 266 1HH2 ARG 38 HH21 ARG 38 -3.036 49.295 95.307 267 2HH2 ARG 38 HH22 ARG 38 -2.571 49.783 93.712 268 H CYS 39 HN CYS 39 2.456 50.271 100.005 269 HA CYS 39 HA CYS 39 4.825 51.612 101.242 270 1HB CYS 39 HB2 CYS 39 2.392 50.300 102.472 271 2HB CYS 39 HB1 CYS 39 3.850 50.567 103.417 272 H LYS 40 HN LYS 40 6.628 50.257 101.495 273 HA LYS 40 HA LYS 40 6.725 47.708 100.282 274 1HB LYS 40 HB2 LYS 40 8.813 48.723 100.680 275 2HB LYS 40 HB1 LYS 40 8.420 49.082 102.358 276 1HG LYS 40 HG2 LYS 40 8.535 46.698 102.924 277 2HG LYS 40 HG1 LYS 40 8.871 46.300 101.238 278 1HD LYS 40 HD2 LYS 40 10.736 48.296 101.937 279 2HD LYS 40 HD1 LYS 40 10.706 47.172 103.295 280 1HE LYS 40 HE2 LYS 40 12.254 46.122 101.924 281 2HE LYS 40 HE1 LYS 40 10.768 45.356 101.364 282 1HZ LYS 40 HZ2 LYS 40 11.466 47.869 100.088 283 2HZ LYS 40 HZ1 LYS 40 12.495 46.561 99.747 284 3HZ LYS 40 HZ3 LYS 40 10.837 46.442 99.411 285 H GLU 41 HN GLU 41 6.563 45.602 101.110 286 HA GLU 41 HA GLU 41 4.609 45.110 103.113 287 1HB GLU 41 HB2 GLU 41 5.389 42.748 102.998 288 2HB GLU 41 HB1 GLU 41 5.147 43.448 101.397 289 1HG GLU 41 HG2 GLU 41 7.620 44.020 101.390 290 2HG GLU 41 HG1 GLU 41 7.772 43.038 102.847 291 H GLY 42 HN GLY 42 4.766 45.037 105.321 292 1HA GLY 42 HA2 GLY 42 6.184 44.170 107.247 293 2HA GLY 42 HA1 GLY 42 7.520 45.056 106.495 294 H PHE 43 HN PHE 43 5.960 47.265 105.606 295 HA PHE 43 HA PHE 43 5.083 48.439 108.193 296 1HB PHE 43 HB2 PHE 43 6.374 50.108 106.056 297 2HB PHE 43 HB1 PHE 43 6.135 50.459 107.770 298 HD1 PHE 43 HD1 PHE 43 8.002 48.265 105.393 299 HD2 PHE 43 HD2 PHE 43 7.773 49.849 109.379 300 HE1 PHE 43 HE1 PHE 43 10.241 47.325 105.897 301 HE2 PHE 43 HE2 PHE 43 10.010 48.908 109.884 302 HZ PHE 43 HZ PHE 43 11.245 47.646 108.142 303 H PHE 44 HN PHE 44 3.168 49.267 108.105 304 HA PHE 44 HA PHE 44 1.845 49.676 105.455 305 1HB PHE 44 HB2 PHE 44 0.133 49.556 107.867 306 2HB PHE 44 HB1 PHE 44 -0.086 48.790 106.295 307 HD1 PHE 44 HD1 PHE 44 1.199 46.692 105.743 308 HD2 PHE 44 HD2 PHE 44 1.142 48.388 109.689 309 HE1 PHE 44 HE1 PHE 44 2.018 44.545 106.678 310 HE2 PHE 44 HE2 PHE 44 1.960 46.241 110.624 311 HZ PHE 44 HZ PHE 44 2.398 44.320 109.118 312 H GLY 45 HN GLY 45 0.021 51.427 105.649 313 1HA GLY 45 HA2 GLY 45 -0.484 53.450 107.217 314 2HA GLY 45 HA1 GLY 45 1.241 53.760 107.051 315 H ASN 46 HN ASN 46 1.045 55.705 105.969 316 HA ASN 46 HA ASN 46 -0.262 55.587 103.272 317 1HB ASN 46 HB2 ASN 46 0.299 58.012 105.008 318 2HB ASN 46 HB1 ASN 46 -0.500 58.032 103.434 319 1HD2 ASN 46 HD22 ASN 46 -3.635 57.045 104.726 320 2HD2 ASN 46 HD21 ASN 46 -2.731 57.471 103.354 321 HA PRO 47 HA PRO 47 4.101 55.899 102.247 322 1HB PRO 47 HB2 PRO 47 3.777 55.108 99.631 323 2HB PRO 47 HB1 PRO 47 3.899 53.981 100.992 324 1HG PRO 47 HG2 PRO 47 1.482 54.785 99.436 325 2HG PRO 47 HG1 PRO 47 1.805 53.279 100.307 326 1HD PRO 47 HD2 PRO 47 0.183 55.391 101.229 327 2HD PRO 47 HD1 PRO 47 0.813 54.057 102.220 328 H LEU 48 HN LEU 48 1.414 57.675 101.180 329 HA LEU 48 HA LEU 48 3.221 59.556 99.708 330 1HB LEU 48 HB2 LEU 48 0.887 58.279 98.767 331 2HB LEU 48 HB1 LEU 48 0.432 59.956 99.068 332 HG LEU 48 HG LEU 48 1.274 59.829 96.808 333 1HD1 LEU 48 HD11 LEU 48 2.430 61.429 98.827 334 2HD1 LEU 48 HD13 LEU 48 3.766 60.904 97.804 335 3HD1 LEU 48 HD12 LEU 48 2.396 61.759 97.095 336 1HD2 LEU 48 HD23 LEU 48 3.709 58.506 98.051 337 2HD2 LEU 48 HD22 LEU 48 2.520 57.724 97.009 338 3HD2 LEU 48 HD21 LEU 48 3.571 58.981 96.358 339 H ALA 49 HN ALA 49 2.896 59.688 102.533 340 HA ALA 49 HA ALA 49 0.895 61.814 103.021 341 1HB ALA 49 HB3 ALA 49 2.002 59.770 104.609 342 2HB ALA 49 HB2 ALA 49 2.679 61.269 105.249 343 3HB ALA 49 HB1 ALA 49 0.931 61.062 105.152 344 HA PRO 50 HA PRO 50 3.842 65.048 102.666 345 1HB PRO 50 HB2 PRO 50 2.762 66.857 104.435 346 2HB PRO 50 HB1 PRO 50 2.086 66.536 102.828 347 1HG PRO 50 HG2 PRO 50 1.088 65.644 105.500 348 2HG PRO 50 HG1 PRO 50 0.182 65.951 104.007 349 1HD PRO 50 HD2 PRO 50 0.892 63.408 104.982 350 2HD PRO 50 HD1 PRO 50 0.369 63.771 103.322 351 H ASN 51 HN ASN 51 3.133 63.600 105.746 352 HA ASN 51 HA ASN 51 5.572 64.800 106.957 353 1HB ASN 51 HB2 ASN 51 3.536 63.010 108.302 354 2HB ASN 51 HB1 ASN 51 4.725 64.056 109.076 355 1HD2 ASN 51 HD22 ASN 51 1.176 65.617 107.870 356 2HD2 ASN 51 HD21 ASN 51 1.533 63.971 107.657 357 HA PRO 52 HA PRO 52 7.659 60.984 106.060 358 1HB PRO 52 HB2 PRO 52 9.916 61.503 107.544 359 2HB PRO 52 HB1 PRO 52 9.610 62.188 105.938 360 1HG PRO 52 HG2 PRO 52 9.421 63.504 108.611 361 2HG PRO 52 HG1 PRO 52 9.782 64.213 107.027 362 1HD PRO 52 HD2 PRO 52 7.296 64.360 108.345 363 2HD PRO 52 HD1 PRO 52 7.578 64.691 106.622 364 H ALA 53 HN ALA 53 6.797 62.100 109.260 365 HA ALA 53 HA ALA 53 7.547 59.498 110.475 366 1HB ALA 53 HB2 ALA 53 7.780 61.935 111.522 367 2HB ALA 53 HB1 ALA 53 6.107 61.637 111.993 368 3HB ALA 53 HB3 ALA 53 7.383 60.545 112.534 369 H ASP 54 HN ASP 54 5.136 60.294 108.559 370 HA ASP 54 HA ASP 54 3.159 58.691 110.119 371 1HB ASP 54 HB2 ASP 54 2.764 61.351 108.779 372 2HB ASP 54 HB1 ASP 54 1.419 60.217 108.883 373 H LYS 55 HN LYS 55 5.034 58.019 107.894 374 HA LYS 55 HA LYS 55 3.110 57.594 105.680 375 1HB LYS 55 HB2 LYS 55 6.107 57.234 105.817 376 2HB LYS 55 HB1 LYS 55 5.137 56.809 104.405 377 1HG LYS 55 HG2 LYS 55 4.394 59.070 104.121 378 2HG LYS 55 HG1 LYS 55 5.090 59.555 105.668 379 1HD LYS 55 HD2 LYS 55 7.296 59.405 104.865 380 2HD LYS 55 HD1 LYS 55 6.829 58.378 103.509 381 1HE LYS 55 HE2 LYS 55 5.794 61.201 103.760 382 2HE LYS 55 HE1 LYS 55 7.348 60.860 102.998 383 1HZ LYS 55 HZ3 LYS 55 5.373 59.086 102.031 384 2HZ LYS 55 HZ2 LYS 55 4.841 60.689 101.846 385 3HZ LYS 55 HZ1 LYS 55 6.321 60.198 101.170 386 H CYS 56 HN CYS 56 5.465 55.166 105.502 387 HA CYS 56 HA CYS 56 3.464 53.203 106.487 388 1HB CYS 56 HB2 CYS 56 5.966 52.442 105.012 389 2HB CYS 56 HB1 CYS 56 4.387 51.659 104.999 390 H LYS 57 HN LYS 57 3.823 52.822 108.647 391 HA LYS 57 HA LYS 57 6.646 52.462 109.546 392 1HB LYS 57 HB2 LYS 57 4.139 52.831 111.217 393 2HB LYS 57 HB1 LYS 57 5.801 52.812 111.810 394 1HG LYS 57 HG2 LYS 57 5.954 55.019 111.415 395 2HG LYS 57 HG1 LYS 57 5.679 54.718 109.699 396 1HD LYS 57 HD2 LYS 57 3.424 55.203 109.831 397 2HD LYS 57 HD1 LYS 57 3.306 54.684 111.513 398 1HE LYS 57 HE2 LYS 57 4.819 56.727 112.029 399 2HE LYS 57 HE1 LYS 57 4.362 57.287 110.421 400 1HZ LYS 57 HZ1 LYS 57 2.002 56.922 111.141 401 2HZ LYS 57 HZ3 LYS 57 2.583 56.720 112.721 402 3HZ LYS 57 HZ2 LYS 57 2.810 58.199 111.916 403 H ALA 58 HN ALA 58 6.834 50.699 111.321 404 HA ALA 58 HA ALA 58 5.704 48.230 110.202 405 1HB ALA 58 HB1 ALA 58 7.701 48.845 112.379 406 2HB ALA 58 HB3 ALA 58 7.070 47.214 112.153 407 3HB ALA 58 HB2 ALA 58 7.965 48.001 110.854 No H/Q in entry = 407 Start of MODEL 13 1 1H ARG 1 HT1 ARG 1 13.245 69.934 83.447 2 2H ARG 1 HT3 ARG 1 13.109 70.970 84.784 3 3H ARG 1 HT2 ARG 1 14.489 69.997 84.602 4 HA ARG 1 HA ARG 1 13.384 68.731 86.107 5 1HB ARG 1 HB2 ARG 1 11.131 70.311 85.109 6 2HB ARG 1 HB1 ARG 1 10.685 68.640 85.456 7 1HG ARG 1 HG2 ARG 1 11.917 68.943 87.690 8 2HG ARG 1 HG1 ARG 1 11.901 70.670 87.335 9 1HD ARG 1 HD2 ARG 1 9.370 70.401 86.963 10 2HD ARG 1 HD1 ARG 1 9.541 68.831 87.746 11 HE ARG 1 HE ARG 1 10.772 70.777 89.414 12 1HH1 ARG 1 HH21 ARG 1 8.302 68.742 89.633 13 2HH1 ARG 1 HH22 ARG 1 7.154 69.819 90.355 14 1HH2 ARG 1 HH11 ARG 1 9.030 72.667 89.731 15 2HH2 ARG 1 HH12 ARG 1 7.566 72.040 90.412 16 HA PRO 2 HA PRO 2 13.390 65.819 82.588 17 1HB PRO 2 HB2 PRO 2 15.335 64.205 83.674 18 2HB PRO 2 HB1 PRO 2 15.688 65.630 82.679 19 1HG PRO 2 HG2 PRO 2 15.951 65.291 85.629 20 2HG PRO 2 HG1 PRO 2 16.823 66.385 84.543 21 1HD PRO 2 HD2 PRO 2 14.672 67.097 86.246 22 2HD PRO 2 HD1 PRO 2 15.342 68.091 84.934 23 H CYS 3 HN CYS 3 14.312 64.248 85.647 24 HA CYS 3 HA CYS 3 12.253 62.224 85.337 25 1HB CYS 3 HB2 CYS 3 14.444 61.797 86.461 26 2HB CYS 3 HB1 CYS 3 13.947 62.872 87.768 27 H GLN 4 HN GLN 4 10.390 61.945 86.716 28 HA GLN 4 HA GLN 4 9.726 64.058 88.634 29 1HB GLN 4 HB2 GLN 4 7.611 64.678 87.435 30 2HB GLN 4 HB1 GLN 4 9.072 65.182 86.586 31 1HG GLN 4 HG2 GLN 4 8.653 62.622 85.619 32 2HG GLN 4 HG1 GLN 4 7.015 63.262 85.768 33 1HE2 GLN 4 HE22 GLN 4 7.356 65.270 82.907 34 2HE2 GLN 4 HE21 GLN 4 6.331 64.470 83.997 35 H CYS 5 HN CYS 5 9.039 62.781 90.267 36 HA CYS 5 HA CYS 5 6.622 61.217 89.971 37 1HB CYS 5 HB2 CYS 5 7.607 59.040 90.686 38 2HB CYS 5 HB1 CYS 5 8.160 59.535 89.089 39 H ASN 6 HN ASN 6 6.126 60.121 92.177 40 HA ASN 6 HA ASN 6 6.013 61.925 94.243 41 1HB ASN 6 HB2 ASN 6 6.586 58.978 94.676 42 2HB ASN 6 HB1 ASN 6 5.753 60.068 95.786 43 1HD2 ASN 6 HD22 ASN 6 2.796 60.236 93.635 44 2HD2 ASN 6 HD21 ASN 6 3.785 61.274 94.542 45 H ASP 7 HN ASP 7 7.352 62.518 96.025 46 HA ASP 7 HA ASP 7 10.220 62.347 95.455 47 1HB ASP 7 HB2 ASP 7 8.801 64.301 96.550 48 2HB ASP 7 HB1 ASP 7 9.172 63.432 98.039 49 H ASN 8 HN ASN 8 10.066 59.846 95.713 50 HA ASN 8 HA ASN 8 10.852 59.218 98.516 51 1HB ASN 8 HB2 ASN 8 8.975 57.508 96.852 52 2HB ASN 8 HB1 ASN 8 9.564 57.134 98.472 53 1HD2 ASN 8 HD22 ASN 8 6.767 58.766 99.838 54 2HD2 ASN 8 HD21 ASN 8 7.763 57.391 99.816 55 H ILE 9 HN ILE 9 12.871 59.577 97.026 56 HA ILE 9 HA ILE 9 13.909 56.903 96.401 57 HB ILE 9 HB ILE 9 14.175 57.090 94.140 58 1HG1 ILE 9 HG12 ILE 9 15.623 59.096 94.289 59 2HG1 ILE 9 HG11 ILE 9 14.513 59.189 92.924 60 1HG2 ILE 9 HG22 ILE 9 11.928 59.072 94.598 61 2HG2 ILE 9 HG21 ILE 9 12.247 58.220 93.089 62 3HG2 ILE 9 HG23 ILE 9 11.762 57.318 94.525 63 1HD1 ILE 9 HD12 ILE 9 13.663 60.347 95.550 64 2HD1 ILE 9 HD11 ILE 9 14.795 61.255 94.550 65 3HD1 ILE 9 HD13 ILE 9 13.204 60.829 93.919 66 H ASP 10 HN ASP 10 16.367 57.428 95.499 67 HA ASP 10 HA ASP 10 17.401 59.422 97.464 68 1HB ASP 10 HB2 ASP 10 18.622 56.945 96.241 69 2HB ASP 10 HB1 ASP 10 19.598 58.148 97.082 70 HA PRO 11 HA PRO 11 18.348 61.684 93.690 71 1HB PRO 11 HB2 PRO 11 18.906 64.033 94.998 72 2HB PRO 11 HB1 PRO 11 17.266 63.495 94.601 73 1HG PRO 11 HG2 PRO 11 18.655 63.501 97.239 74 2HG PRO 11 HG1 PRO 11 16.923 63.607 96.884 75 1HD PRO 11 HD2 PRO 11 18.282 61.295 97.760 76 2HD PRO 11 HD1 PRO 11 16.653 61.337 97.051 77 H ASN 12 HN ASN 12 20.322 60.805 96.304 78 HA ASN 12 HA ASN 12 22.716 62.258 95.477 79 1HB ASN 12 HB2 ASN 12 22.010 60.263 97.567 80 2HB ASN 12 HB1 ASN 12 23.691 60.272 97.033 81 1HD2 ASN 12 HD22 ASN 12 23.904 63.897 97.968 82 2HD2 ASN 12 HD21 ASN 12 24.064 63.033 96.515 83 H ALA 13 HN ALA 13 22.332 58.713 95.776 84 HA ALA 13 HA ALA 13 24.327 58.126 93.837 85 1HB ALA 13 HB2 ALA 13 23.001 56.606 95.591 86 2HB ALA 13 HB1 ALA 13 22.022 56.252 94.167 87 3HB ALA 13 HB3 ALA 13 23.752 55.910 94.154 88 H VAL 14 HN VAL 14 23.230 56.447 91.941 89 HA VAL 14 HA VAL 14 21.369 58.230 90.421 90 HB VAL 14 HB VAL 14 23.586 56.587 89.178 91 1HG1 VAL 14 HG11 VAL 14 21.469 58.449 88.241 92 2HG1 VAL 14 HG13 VAL 14 23.052 58.630 87.483 93 3HG1 VAL 14 HG12 VAL 14 22.213 57.080 87.413 94 1HG2 VAL 14 HG23 VAL 14 23.559 59.442 90.172 95 2HG2 VAL 14 HG22 VAL 14 24.752 58.185 90.495 96 3HG2 VAL 14 HG21 VAL 14 24.656 58.917 88.894 97 H GLY 15 HN GLY 15 20.012 57.066 88.864 98 1HA GLY 15 HA2 GLY 15 19.197 54.953 87.920 99 2HA GLY 15 HA1 GLY 15 19.873 54.124 89.327 100 H ASN 16 HN ASN 16 18.758 56.408 91.068 101 HA ASN 16 HA ASN 16 16.443 55.136 92.010 102 1HB ASN 16 HB2 ASN 16 17.068 58.101 92.092 103 2HB ASN 16 HB1 ASN 16 15.918 57.259 93.134 104 1HD2 ASN 16 HD22 ASN 16 19.928 56.871 93.827 105 2HD2 ASN 16 HD21 ASN 16 19.380 57.613 92.403 106 H CYS 17 HN CYS 17 16.771 56.972 89.106 107 HA CYS 17 HA CYS 17 13.794 57.057 88.877 108 1HB CYS 17 HB2 CYS 17 14.802 59.320 88.959 109 2HB CYS 17 HB1 CYS 17 15.803 58.910 87.566 110 H ASN 18 HN ASN 18 12.959 56.382 86.787 111 HA ASN 18 HA ASN 18 14.662 54.475 85.386 112 1HB ASN 18 HB2 ASN 18 12.114 55.276 84.103 113 2HB ASN 18 HB1 ASN 18 12.728 53.669 84.455 114 1HD2 ASN 18 HD22 ASN 18 9.788 54.591 86.697 115 2HD2 ASN 18 HD21 ASN 18 9.999 54.736 85.022 116 H ARG 19 HN ARG 19 15.952 54.954 83.667 117 HA ARG 19 HA ARG 19 16.218 57.660 82.739 118 1HB ARG 19 HB2 ARG 19 17.444 55.029 82.072 119 2HB ARG 19 HB1 ARG 19 17.597 56.319 80.878 120 1HG ARG 19 HG2 ARG 19 18.263 57.760 83.003 121 2HG ARG 19 HG1 ARG 19 18.686 56.180 83.664 122 1HD ARG 19 HD2 ARG 19 19.796 56.004 81.178 123 2HD ARG 19 HD1 ARG 19 19.984 57.726 81.505 124 HE ARG 19 HE ARG 19 20.871 55.850 83.619 125 1HH1 ARG 19 HH21 ARG 19 21.687 58.735 83.511 126 2HH1 ARG 19 HH22 ARG 19 23.289 58.634 82.864 127 1HH2 ARG 19 HH11 ARG 19 22.900 55.388 81.705 128 2HH2 ARG 19 HH12 ARG 19 23.976 56.739 81.837 129 H LEU 20 HN LEU 20 14.667 54.790 81.251 130 HA LEU 20 HA LEU 20 13.955 56.494 78.937 131 1HB LEU 20 HB2 LEU 20 14.346 53.644 79.332 132 2HB LEU 20 HB1 LEU 20 12.799 53.967 78.541 133 HG LEU 20 HG LEU 20 15.122 55.538 77.569 134 1HD1 LEU 20 HD11 LEU 20 15.532 52.839 77.952 135 2HD1 LEU 20 HD13 LEU 20 14.917 52.892 76.300 136 3HD1 LEU 20 HD12 LEU 20 16.351 53.821 76.737 137 1HD2 LEU 20 HD21 LEU 20 12.487 54.729 76.729 138 2HD2 LEU 20 HD23 LEU 20 13.566 55.908 75.983 139 3HD2 LEU 20 HD22 LEU 20 13.668 54.209 75.527 140 H THR 21 HN THR 21 12.391 55.140 81.803 141 HA THR 21 HA THR 21 9.725 55.750 80.658 142 HB THR 21 HB THR 21 9.371 55.104 83.336 143 HG1 THR 21 HG1 THR 21 10.728 53.044 83.175 144 1HG2 THR 21 HG22 THR 21 8.257 54.297 81.151 145 2HG2 THR 21 HG21 THR 21 9.499 53.045 81.143 146 3HG2 THR 21 HG23 THR 21 8.363 53.152 82.487 147 H GLY 22 HN GLY 22 12.016 57.002 83.041 148 1HA GLY 22 HA2 GLY 22 12.085 59.130 84.046 149 2HA GLY 22 HA1 GLY 22 10.747 59.608 82.996 150 H GLU 23 HN GLU 23 11.272 57.352 85.765 151 HA GLU 23 HA GLU 23 9.090 58.621 87.254 152 1HB GLU 23 HB2 GLU 23 8.497 56.455 85.509 153 2HB GLU 23 HB1 GLU 23 8.452 55.811 87.149 154 1HG GLU 23 HG2 GLU 23 6.247 56.649 86.627 155 2HG GLU 23 HG1 GLU 23 6.980 57.754 87.792 156 H CYS 24 HN CYS 24 8.950 57.672 89.470 157 HA CYS 24 HA CYS 24 11.472 57.108 90.624 158 1HB CYS 24 HB2 CYS 24 8.629 56.635 91.517 159 2HB CYS 24 HB1 CYS 24 9.981 56.119 92.521 160 H LEU 25 HN LEU 25 12.725 55.304 90.183 161 HA LEU 25 HA LEU 25 11.342 52.773 89.462 162 1HB LEU 25 HB2 LEU 25 13.618 53.968 88.424 163 2HB LEU 25 HB1 LEU 25 14.287 52.753 89.454 164 HG LEU 25 HG LEU 25 12.838 52.519 86.899 165 1HD1 LEU 25 HD11 LEU 25 15.267 51.832 87.686 166 2HD1 LEU 25 HD13 LEU 25 14.450 50.349 88.181 167 3HD1 LEU 25 HD12 LEU 25 14.399 50.864 86.495 168 1HD2 LEU 25 HD23 LEU 25 12.015 50.926 89.287 169 2HD2 LEU 25 HD22 LEU 25 11.065 51.428 87.888 170 3HD2 LEU 25 HD21 LEU 25 12.186 50.074 87.751 171 H LYS 26 HN LYS 26 13.530 54.123 91.888 172 HA LYS 26 HA LYS 26 13.289 51.548 93.404 173 1HB LYS 26 HB2 LYS 26 15.591 52.562 92.430 174 2HB LYS 26 HB1 LYS 26 15.551 53.364 94.004 175 1HG LYS 26 HG2 LYS 26 15.469 51.291 95.155 176 2HG LYS 26 HG1 LYS 26 15.095 50.413 93.675 177 1HD LYS 26 HD2 LYS 26 17.410 51.473 92.892 178 2HD LYS 26 HD1 LYS 26 17.713 51.472 94.630 179 1HE LYS 26 HE2 LYS 26 17.134 49.125 92.826 180 2HE LYS 26 HE1 LYS 26 18.496 49.358 93.922 181 1HZ LYS 26 HZ1 LYS 26 16.850 49.315 95.771 182 2HZ LYS 26 HZ3 LYS 26 15.666 48.848 94.648 183 3HZ LYS 26 HZ2 LYS 26 17.004 47.843 94.939 184 H CYS 27 HN CYS 27 11.313 52.545 94.504 185 HA CYS 27 HA CYS 27 11.309 55.016 95.841 186 1HB CYS 27 HB2 CYS 27 10.020 52.420 96.759 187 2HB CYS 27 HB1 CYS 27 9.538 54.037 97.265 188 H ILE 28 HN ILE 28 11.726 55.520 98.153 189 HA ILE 28 HA ILE 28 13.915 53.808 99.215 190 HB ILE 28 HB ILE 28 14.031 56.146 100.680 191 1HG1 ILE 28 HG12 ILE 28 14.224 57.783 98.643 192 2HG1 ILE 28 HG11 ILE 28 13.066 56.695 97.913 193 1HG2 ILE 28 HG22 ILE 28 15.487 54.940 98.380 194 2HG2 ILE 28 HG21 ILE 28 15.845 56.626 98.750 195 3HG2 ILE 28 HG23 ILE 28 16.085 55.385 99.979 196 1HD1 ILE 28 HD11 ILE 28 12.435 57.535 100.657 197 2HD1 ILE 28 HD13 ILE 28 12.393 58.814 99.446 198 3HD1 ILE 28 HD12 ILE 28 11.376 57.386 99.255 199 H TYR 29 HN TYR 29 11.498 55.934 100.719 200 HA TYR 29 HA TYR 29 11.639 54.784 103.284 201 1HB TYR 29 HB2 TYR 29 9.282 56.163 101.976 202 2HB TYR 29 HB1 TYR 29 9.433 55.841 103.703 203 HD1 TYR 29 HD1 TYR 29 11.899 56.567 104.655 204 HD2 TYR 29 HD2 TYR 29 9.846 58.297 101.304 205 HE1 TYR 29 HE1 TYR 29 13.252 58.634 104.887 206 HE2 TYR 29 HE2 TYR 29 11.195 60.361 101.534 207 HH TYR 29 HH TYR 29 13.708 60.793 102.636 208 H ASN 30 HN ASN 30 11.677 52.487 102.827 209 HA ASN 30 HA ASN 30 10.669 50.379 102.256 210 1HB ASN 30 HB2 ASN 30 9.254 51.565 104.653 211 2HB ASN 30 HB1 ASN 30 9.115 49.871 104.182 212 1HD2 ASN 30 HD22 ASN 30 12.234 50.866 106.413 213 2HD2 ASN 30 HD21 ASN 30 10.778 51.734 106.331 214 H THR 31 HN THR 31 9.583 51.960 100.339 215 HA THR 31 HA THR 31 6.672 51.287 100.532 216 HB THR 31 HB THR 31 6.512 53.180 98.723 217 HG1 THR 31 HG1 THR 31 8.984 53.275 99.030 218 1HG2 THR 31 HG22 THR 31 6.885 53.610 101.691 219 2HG2 THR 31 HG21 THR 31 6.265 54.851 100.603 220 3HG2 THR 31 HG23 THR 31 5.374 53.346 100.824 221 H ALA 32 HN ALA 32 5.652 50.501 98.613 222 HA ALA 32 HA ALA 32 7.611 49.548 96.550 223 1HB ALA 32 HB3 ALA 32 5.140 48.144 97.609 224 2HB ALA 32 HB2 ALA 32 6.156 47.550 96.295 225 3HB ALA 32 HB1 ALA 32 6.813 47.685 97.927 226 H GLY 33 HN GLY 33 6.276 48.826 94.491 227 1HA GLY 33 HA2 GLY 33 4.399 49.313 93.014 228 2HA GLY 33 HA1 GLY 33 4.071 50.763 93.964 229 H PHE 34 HN PHE 34 4.511 50.575 91.062 230 HA PHE 34 HA PHE 34 7.113 51.377 90.293 231 1HB PHE 34 HB2 PHE 34 4.916 50.885 88.875 232 2HB PHE 34 HB1 PHE 34 4.709 52.631 88.974 233 HD1 PHE 34 HD2 PHE 34 7.575 50.260 88.400 234 HD2 PHE 34 HD1 PHE 34 5.514 53.803 87.116 235 HE1 PHE 34 HE2 PHE 34 9.225 50.561 86.580 236 HE2 PHE 34 HE1 PHE 34 7.162 54.100 85.297 237 HZ PHE 34 HZ PHE 34 9.019 52.481 85.027 238 H TYR 35 HN TYR 35 4.499 53.274 91.775 239 HA TYR 35 HA TYR 35 6.323 55.648 91.751 240 1HB TYR 35 HB2 TYR 35 3.298 55.594 91.996 241 2HB TYR 35 HB1 TYR 35 4.307 57.037 91.966 242 HD1 TYR 35 HD1 TYR 35 3.485 53.989 89.955 243 HD2 TYR 35 HD2 TYR 35 4.807 58.075 89.932 244 HE1 TYR 35 HE1 TYR 35 3.367 54.014 87.480 245 HE2 TYR 35 HE2 TYR 35 4.695 58.099 87.456 246 HH TYR 35 HH TYR 35 4.088 56.974 85.634 247 H CYS 36 HN CYS 36 5.987 53.290 93.703 248 HA CYS 36 HA CYS 36 6.013 53.028 96.044 249 1HB CYS 36 HB2 CYS 36 6.024 55.999 96.430 250 2HB CYS 36 HB1 CYS 36 6.951 54.760 97.276 251 H ASP 37 HN ASP 37 3.603 52.641 95.182 252 HA ASP 37 HA ASP 37 1.706 54.643 96.220 253 1HB ASP 37 HB2 ASP 37 1.070 51.943 95.019 254 2HB ASP 37 HB1 ASP 37 0.006 53.344 95.148 255 H ARG 38 HN ARG 38 3.113 51.617 97.314 256 HA ARG 38 HA ARG 38 1.236 51.763 99.621 257 1HB ARG 38 HB2 ARG 38 1.976 49.408 97.905 258 2HB ARG 38 HB1 ARG 38 1.552 49.152 99.597 259 1HG ARG 38 HG2 ARG 38 -0.489 50.733 98.976 260 2HG ARG 38 HG1 ARG 38 -0.152 50.145 97.347 261 1HD ARG 38 HD2 ARG 38 -0.320 48.176 99.605 262 2HD ARG 38 HD1 ARG 38 -1.809 48.812 98.903 263 HE ARG 38 HE ARG 38 0.168 47.103 97.506 264 1HH1 ARG 38 HH21 ARG 38 -2.292 49.438 97.086 265 2HH1 ARG 38 HH22 ARG 38 -3.081 48.590 95.798 266 1HH2 ARG 38 HH11 ARG 38 -1.029 45.805 96.018 267 2HH2 ARG 38 HH12 ARG 38 -2.366 46.536 95.195 268 H CYS 39 HN CYS 39 2.263 49.978 101.271 269 HA CYS 39 HA CYS 39 5.105 50.807 101.609 270 1HB CYS 39 HB2 CYS 39 3.151 49.908 103.769 271 2HB CYS 39 HB1 CYS 39 4.726 50.647 104.038 272 H LYS 40 HN LYS 40 6.631 49.084 101.825 273 HA LYS 40 HA LYS 40 5.951 46.532 100.841 274 1HB LYS 40 HB2 LYS 40 8.125 46.517 102.853 275 2HB LYS 40 HB1 LYS 40 8.130 45.946 101.189 276 1HG LYS 40 HG2 LYS 40 8.236 48.332 100.428 277 2HG LYS 40 HG1 LYS 40 8.386 48.820 102.118 278 1HD LYS 40 HD2 LYS 40 10.609 48.666 101.139 279 2HD LYS 40 HD1 LYS 40 10.402 47.376 102.326 280 1HE LYS 40 HE2 LYS 40 10.679 45.782 100.755 281 2HE LYS 40 HE1 LYS 40 9.482 46.536 99.701 282 1HZ LYS 40 HZ1 LYS 40 12.319 47.373 99.963 283 2HZ LYS 40 HZ3 LYS 40 11.669 46.484 98.673 284 3HZ LYS 40 HZ2 LYS 40 11.164 48.084 98.941 285 H GLU 41 HN GLU 41 5.790 44.467 101.949 286 HA GLU 41 HA GLU 41 3.920 44.431 104.088 287 1HB GLU 41 HB2 GLU 41 4.297 42.534 102.526 288 2HB GLU 41 HB1 GLU 41 5.871 42.253 103.272 289 1HG GLU 41 HG2 GLU 41 4.947 41.157 105.015 290 2HG GLU 41 HG1 GLU 41 3.751 42.429 105.266 291 H GLY 42 HN GLY 42 4.257 44.854 106.234 292 1HA GLY 42 HA2 GLY 42 5.646 44.096 108.233 293 2HA GLY 42 HA1 GLY 42 7.052 44.576 107.271 294 H PHE 43 HN PHE 43 5.624 46.821 106.057 295 HA PHE 43 HA PHE 43 5.324 48.578 108.431 296 1HB PHE 43 HB2 PHE 43 6.448 49.655 105.874 297 2HB PHE 43 HB1 PHE 43 6.578 50.274 107.523 298 HD1 PHE 43 HD2 PHE 43 7.847 48.733 109.233 299 HD2 PHE 43 HD1 PHE 43 8.208 48.404 104.964 300 HE1 PHE 43 HE2 PHE 43 9.990 47.517 109.508 301 HE2 PHE 43 HE1 PHE 43 10.350 47.187 105.241 302 HZ PHE 43 HZ PHE 43 11.242 46.744 107.512 303 H PHE 44 HN PHE 44 3.533 49.635 108.421 304 HA PHE 44 HA PHE 44 1.870 49.761 105.938 305 1HB PHE 44 HB2 PHE 44 0.699 50.337 108.630 306 2HB PHE 44 HB1 PHE 44 -0.035 49.545 107.236 307 HD1 PHE 44 HD2 PHE 44 1.691 47.389 106.528 308 HD2 PHE 44 HD1 PHE 44 0.760 48.880 110.447 309 HE1 PHE 44 HE2 PHE 44 2.232 45.173 107.500 310 HE2 PHE 44 HE1 PHE 44 1.301 46.665 111.419 311 HZ PHE 44 HZ PHE 44 2.037 44.810 109.946 312 H GLY 45 HN GLY 45 0.115 51.822 107.017 313 1HA GLY 45 HA2 GLY 45 0.438 54.137 107.892 314 2HA GLY 45 HA1 GLY 45 2.040 54.108 107.164 315 H ASN 46 HN ASN 46 1.585 55.986 105.919 316 HA ASN 46 HA ASN 46 -0.168 55.439 103.558 317 1HB ASN 46 HB2 ASN 46 -0.135 57.859 105.355 318 2HB ASN 46 HB1 ASN 46 -0.643 57.998 103.673 319 1HD2 ASN 46 HD22 ASN 46 -3.574 55.913 104.174 320 2HD2 ASN 46 HD21 ASN 46 -2.367 56.232 103.023 321 HA PRO 47 HA PRO 47 3.824 56.781 101.920 322 1HB PRO 47 HB2 PRO 47 3.513 55.482 99.522 323 2HB PRO 47 HB1 PRO 47 4.118 54.695 100.988 324 1HG PRO 47 HG2 PRO 47 1.440 54.449 99.699 325 2HG PRO 47 HG1 PRO 47 2.305 53.289 100.722 326 1HD PRO 47 HD2 PRO 47 0.184 54.972 101.548 327 2HD PRO 47 HD1 PRO 47 1.268 54.055 102.617 328 H LEU 48 HN LEU 48 0.676 57.599 101.294 329 HA LEU 48 HA LEU 48 1.379 59.323 98.953 330 1HB LEU 48 HB2 LEU 48 -1.063 57.896 99.800 331 2HB LEU 48 HB1 LEU 48 -1.340 59.552 99.263 332 HG LEU 48 HG LEU 48 -1.427 57.790 97.433 333 1HD1 LEU 48 HD12 LEU 48 -0.922 60.278 97.136 334 2HD1 LEU 48 HD11 LEU 48 0.779 59.821 97.041 335 3HD1 LEU 48 HD13 LEU 48 -0.365 59.216 95.841 336 1HD2 LEU 48 HD21 LEU 48 0.689 56.667 98.537 337 2HD2 LEU 48 HD23 LEU 48 0.502 56.647 96.784 338 3HD2 LEU 48 HD22 LEU 48 1.576 57.822 97.542 339 H ALA 49 HN ALA 49 2.226 59.980 101.619 340 HA ALA 49 HA ALA 49 0.438 62.283 102.268 341 1HB ALA 49 HB3 ALA 49 2.124 60.454 103.920 342 2HB ALA 49 HB2 ALA 49 1.977 62.129 104.450 343 3HB ALA 49 HB1 ALA 49 0.535 61.130 104.268 344 HA PRO 50 HA PRO 50 3.693 64.929 100.951 345 1HB PRO 50 HB2 PRO 50 3.006 67.171 102.395 346 2HB PRO 50 HB1 PRO 50 2.147 66.643 100.938 347 1HG PRO 50 HG2 PRO 50 1.319 66.398 103.801 348 2HG PRO 50 HG1 PRO 50 0.313 66.563 102.352 349 1HD PRO 50 HD2 PRO 50 0.771 64.157 103.722 350 2HD PRO 50 HD1 PRO 50 0.177 64.291 102.052 351 H ASN 51 HN ASN 51 3.068 64.404 104.368 352 HA ASN 51 HA ASN 51 5.828 65.309 105.031 353 1HB ASN 51 HB2 ASN 51 5.120 65.299 107.345 354 2HB ASN 51 HB1 ASN 51 3.887 66.140 106.404 355 1HD2 ASN 51 HD22 ASN 51 2.404 63.425 108.666 356 2HD2 ASN 51 HD21 ASN 51 3.575 64.611 108.989 357 HA PRO 52 HA PRO 52 7.063 61.066 105.202 358 1HB PRO 52 HB2 PRO 52 9.398 61.437 106.612 359 2HB PRO 52 HB1 PRO 52 9.223 61.784 104.882 360 1HG PRO 52 HG2 PRO 52 9.341 63.687 107.182 361 2HG PRO 52 HG1 PRO 52 9.828 63.928 105.494 362 1HD PRO 52 HD2 PRO 52 7.440 64.881 106.647 363 2HD PRO 52 HD1 PRO 52 7.765 64.738 104.905 364 H ALA 53 HN ALA 53 6.271 63.000 107.960 365 HA ALA 53 HA ALA 53 6.878 61.015 109.995 366 1HB ALA 53 HB3 ALA 53 6.464 63.598 110.229 367 2HB ALA 53 HB2 ALA 53 4.764 63.131 110.314 368 3HB ALA 53 HB1 ALA 53 5.909 62.517 111.507 369 H ASP 54 HN ASP 54 4.359 61.458 107.691 370 HA ASP 54 HA ASP 54 2.711 59.404 109.114 371 1HB ASP 54 HB2 ASP 54 1.973 61.825 107.523 372 2HB ASP 54 HB1 ASP 54 0.934 60.407 107.380 373 H LYS 55 HN LYS 55 5.008 59.003 107.298 374 HA LYS 55 HA LYS 55 3.816 58.021 104.791 375 1HB LYS 55 HB2 LYS 55 6.169 59.115 105.156 376 2HB LYS 55 HB1 LYS 55 6.649 57.497 105.663 377 1HG LYS 55 HG2 LYS 55 6.715 56.788 103.526 378 2HG LYS 55 HG1 LYS 55 5.075 57.373 103.234 379 1HD LYS 55 HD2 LYS 55 7.394 59.295 103.343 380 2HD LYS 55 HD1 LYS 55 7.016 58.424 101.855 381 1HE LYS 55 HE2 LYS 55 4.642 59.272 102.070 382 2HE LYS 55 HE1 LYS 55 5.201 60.299 103.393 383 1HZ LYS 55 HZ2 LYS 55 7.014 60.752 101.429 384 2HZ LYS 55 HZ1 LYS 55 5.561 60.605 100.562 385 3HZ LYS 55 HZ3 LYS 55 5.695 61.756 101.801 386 H CYS 56 HN CYS 56 5.946 55.745 104.954 387 HA CYS 56 HA CYS 56 4.097 53.830 106.215 388 1HB CYS 56 HB2 CYS 56 6.649 53.282 104.673 389 2HB CYS 56 HB1 CYS 56 5.410 52.106 105.109 390 H LYS 57 HN LYS 57 5.058 52.122 107.658 391 HA LYS 57 HA LYS 57 7.593 52.272 108.873 392 1HB LYS 57 HB2 LYS 57 5.647 54.269 109.848 393 2HB LYS 57 HB1 LYS 57 6.403 53.305 111.117 394 1HG LYS 57 HG2 LYS 57 8.286 54.228 109.054 395 2HG LYS 57 HG1 LYS 57 7.528 55.536 109.962 396 1HD LYS 57 HD2 LYS 57 8.511 54.919 111.944 397 2HD LYS 57 HD1 LYS 57 8.497 53.202 111.537 398 1HE LYS 57 HE2 LYS 57 10.783 53.766 111.428 399 2HE LYS 57 HE1 LYS 57 10.265 53.836 109.742 400 1HZ LYS 57 HZ1 LYS 57 9.822 56.270 110.182 401 2HZ LYS 57 HZ3 LYS 57 10.707 56.083 111.617 402 3HZ LYS 57 HZ2 LYS 57 11.454 55.801 110.116 403 H ALA 58 HN ALA 58 7.080 51.567 111.484 404 HA ALA 58 HA ALA 58 5.708 48.986 111.114 405 1HB ALA 58 HB1 ALA 58 7.649 50.143 113.007 406 2HB ALA 58 HB3 ALA 58 6.457 49.081 113.757 407 3HB ALA 58 HB2 ALA 58 7.478 48.478 112.450 No H/Q in entry = 407 Start of MODEL 14 1 1H ARG 1 HT3 ARG 1 12.039 66.306 79.522 2 2H ARG 1 HT2 ARG 1 13.563 66.891 79.996 3 3H ARG 1 HT1 ARG 1 13.349 66.222 78.450 4 HA ARG 1 HA ARG 1 13.221 64.069 79.227 5 1HB ARG 1 HB2 ARG 1 15.191 65.748 80.749 6 2HB ARG 1 HB1 ARG 1 15.073 64.022 81.094 7 1HG ARG 1 HG2 ARG 1 15.107 64.525 78.229 8 2HG ARG 1 HG1 ARG 1 16.534 65.197 79.017 9 1HD ARG 1 HD2 ARG 1 16.557 62.863 80.262 10 2HD ARG 1 HD1 ARG 1 15.623 62.346 78.860 11 HE ARG 1 HE ARG 1 17.689 63.536 77.616 12 1HH1 ARG 1 HH21 ARG 1 19.815 63.666 79.252 13 2HH1 ARG 1 HH22 ARG 1 20.418 62.060 79.498 14 1HH2 ARG 1 HH11 ARG 1 17.507 60.517 78.421 15 2HH2 ARG 1 HH12 ARG 1 19.113 60.279 79.026 16 HA PRO 2 HA PRO 2 10.419 63.858 82.701 17 1HB PRO 2 HB2 PRO 2 9.962 61.152 82.510 18 2HB PRO 2 HB1 PRO 2 9.172 62.355 81.477 19 1HG PRO 2 HG2 PRO 2 11.397 60.476 80.808 20 2HG PRO 2 HG1 PRO 2 10.157 61.171 79.749 21 1HD PRO 2 HD2 PRO 2 12.826 62.052 79.928 22 2HD PRO 2 HD1 PRO 2 11.482 62.961 79.203 23 H CYS 3 HN CYS 3 11.667 60.609 82.902 24 HA CYS 3 HA CYS 3 12.781 59.534 84.661 25 1HB CYS 3 HB2 CYS 3 14.463 61.581 83.526 26 2HB CYS 3 HB1 CYS 3 14.825 61.399 85.243 27 H GLN 4 HN GLN 4 13.732 62.727 85.834 28 HA GLN 4 HA GLN 4 13.322 62.405 88.508 29 1HB GLN 4 HB2 GLN 4 13.431 64.652 86.728 30 2HB GLN 4 HB1 GLN 4 12.199 64.955 87.953 31 1HG GLN 4 HG2 GLN 4 14.263 63.831 89.418 32 2HG GLN 4 HG1 GLN 4 15.113 64.830 88.238 33 1HE2 GLN 4 HE22 GLN 4 14.285 67.817 89.893 34 2HE2 GLN 4 HE21 GLN 4 15.275 67.013 88.772 35 H CYS 5 HN CYS 5 11.644 62.003 89.857 36 HA CYS 5 HA CYS 5 8.903 62.794 89.104 37 1HB CYS 5 HB2 CYS 5 8.082 60.436 89.601 38 2HB CYS 5 HB1 CYS 5 8.957 60.621 88.082 39 H ASN 6 HN ASN 6 8.441 63.934 90.933 40 HA ASN 6 HA ASN 6 9.571 63.598 93.489 41 1HB ASN 6 HB2 ASN 6 6.934 64.741 92.570 42 2HB ASN 6 HB1 ASN 6 7.395 64.745 94.271 43 1HD2 ASN 6 HD22 ASN 6 8.870 67.891 93.454 44 2HD2 ASN 6 HD21 ASN 6 7.528 67.145 94.176 45 H ASP 7 HN ASP 7 7.604 63.277 95.349 46 HA ASP 7 HA ASP 7 5.922 61.780 96.198 47 1HB ASP 7 HB2 ASP 7 6.965 59.751 94.196 48 2HB ASP 7 HB1 ASP 7 5.567 59.572 95.253 49 H ASN 8 HN ASN 8 7.991 59.080 95.504 50 HA ASN 8 HA ASN 8 9.276 59.446 98.187 51 1HB ASN 8 HB2 ASN 8 8.621 56.786 96.901 52 2HB ASN 8 HB1 ASN 8 9.051 57.101 98.582 53 1HD2 ASN 8 HD22 ASN 8 5.718 58.902 98.882 54 2HD2 ASN 8 HD21 ASN 8 7.319 59.466 98.880 55 H ILE 9 HN ILE 9 10.871 60.545 96.575 56 HA ILE 9 HA ILE 9 12.881 58.471 95.859 57 HB ILE 9 HB ILE 9 13.404 59.796 93.780 58 1HG1 ILE 9 HG12 ILE 9 10.708 60.936 93.690 59 2HG1 ILE 9 HG11 ILE 9 11.711 61.647 94.953 60 1HG2 ILE 9 HG22 ILE 9 11.449 57.852 94.259 61 2HG2 ILE 9 HG21 ILE 9 10.637 59.059 93.261 62 3HG2 ILE 9 HG23 ILE 9 12.118 58.293 92.687 63 1HD1 ILE 9 HD11 ILE 9 13.295 61.336 92.576 64 2HD1 ILE 9 HD13 ILE 9 11.804 62.183 92.162 65 3HD1 ILE 9 HD12 ILE 9 12.862 62.823 93.419 66 H ASP 10 HN ASP 10 15.057 59.418 95.649 67 HA ASP 10 HA ASP 10 15.365 61.768 97.457 68 1HB ASP 10 HB2 ASP 10 17.080 59.379 96.851 69 2HB ASP 10 HB1 ASP 10 17.827 60.856 97.458 70 HA PRO 11 HA PRO 11 16.588 63.838 93.670 71 1HB PRO 11 HB2 PRO 11 16.820 66.312 94.831 72 2HB PRO 11 HB1 PRO 11 15.276 65.602 94.333 73 1HG PRO 11 HG2 PRO 11 16.403 65.916 97.077 74 2HG PRO 11 HG1 PRO 11 14.709 65.850 96.561 75 1HD PRO 11 HD2 PRO 11 16.143 63.729 97.737 76 2HD PRO 11 HD1 PRO 11 14.603 63.584 96.865 77 H ASN 12 HN ASN 12 18.401 63.225 96.427 78 HA ASN 12 HA ASN 12 20.698 64.914 95.802 79 1HB ASN 12 HB2 ASN 12 20.758 62.452 97.549 80 2HB ASN 12 HB1 ASN 12 21.756 63.901 97.667 81 1HD2 ASN 12 HD22 ASN 12 19.319 65.764 99.471 82 2HD2 ASN 12 HD21 ASN 12 20.768 65.848 98.591 83 H ALA 13 HN ALA 13 20.531 61.326 95.974 84 HA ALA 13 HA ALA 13 22.807 61.040 94.220 85 1HB ALA 13 HB1 ALA 13 20.866 59.220 95.542 86 2HB ALA 13 HB3 ALA 13 21.666 58.598 94.098 87 3HB ALA 13 HB2 ALA 13 22.627 59.134 95.477 88 H VAL 14 HN VAL 14 22.583 59.638 92.162 89 HA VAL 14 HA VAL 14 20.303 60.706 90.546 90 HB VAL 14 HB VAL 14 23.012 59.741 89.579 91 1HG1 VAL 14 HG11 VAL 14 20.611 61.022 88.271 92 2HG1 VAL 14 HG13 VAL 14 22.218 61.142 87.553 93 3HG1 VAL 14 HG12 VAL 14 21.473 59.560 87.791 94 1HG2 VAL 14 HG21 VAL 14 21.951 62.505 90.213 95 2HG2 VAL 14 HG23 VAL 14 23.398 61.729 90.858 96 3HG2 VAL 14 HG22 VAL 14 23.348 62.238 89.171 97 H GLY 15 HN GLY 15 19.597 59.183 88.743 98 1HA GLY 15 HA2 GLY 15 19.410 56.900 87.876 99 2HA GLY 15 HA1 GLY 15 20.115 56.329 89.395 100 H ASN 16 HN ASN 16 17.900 58.731 90.200 101 HA ASN 16 HA ASN 16 16.152 56.904 91.491 102 1HB ASN 16 HB2 ASN 16 16.187 59.827 90.974 103 2HB ASN 16 HB1 ASN 16 14.637 59.114 91.423 104 1HD2 ASN 16 HD22 ASN 16 17.647 59.312 94.184 105 2HD2 ASN 16 HD21 ASN 16 17.953 59.695 92.560 106 H CYS 17 HN CYS 17 16.319 57.387 88.189 107 HA CYS 17 HA CYS 17 13.444 56.616 87.930 108 1HB CYS 17 HB2 CYS 17 13.483 57.806 85.708 109 2HB CYS 17 HB1 CYS 17 13.674 58.884 87.091 110 H ASN 18 HN ASN 18 13.020 55.205 86.023 111 HA ASN 18 HA ASN 18 15.136 53.241 85.643 112 1HB ASN 18 HB2 ASN 18 12.882 53.261 83.697 113 2HB ASN 18 HB1 ASN 18 13.539 51.918 84.608 114 1HD2 ASN 18 HD22 ASN 18 11.012 52.095 87.050 115 2HD2 ASN 18 HD21 ASN 18 12.273 51.204 86.343 116 H ARG 19 HN ARG 19 16.693 53.274 84.034 117 HA ARG 19 HA ARG 19 17.152 55.583 82.476 118 1HB ARG 19 HB2 ARG 19 18.133 52.743 82.209 119 2HB ARG 19 HB1 ARG 19 18.701 54.042 81.158 120 1HG ARG 19 HG2 ARG 19 19.782 55.153 82.886 121 2HG ARG 19 HG1 ARG 19 18.726 54.474 84.123 122 1HD ARG 19 HD2 ARG 19 20.846 52.955 82.576 123 2HD ARG 19 HD1 ARG 19 20.964 53.464 84.259 124 HE ARG 19 HE ARG 19 19.713 51.077 83.407 125 1HH1 ARG 19 HH11 ARG 19 19.596 53.581 85.725 126 2HH1 ARG 19 HH12 ARG 19 18.274 52.901 86.614 127 1HH2 ARG 19 HH21 ARG 19 17.769 50.293 84.383 128 2HH2 ARG 19 HH22 ARG 19 17.239 51.040 85.853 129 H LEU 20 HN LEU 20 15.401 52.601 81.564 130 HA LEU 20 HA LEU 20 15.060 53.748 78.844 131 1HB LEU 20 HB2 LEU 20 14.085 51.486 78.310 132 2HB LEU 20 HB1 LEU 20 15.769 51.460 78.830 133 HG LEU 20 HG LEU 20 13.904 51.271 81.075 134 1HD1 LEU 20 HD13 LEU 20 13.436 49.636 78.693 135 2HD1 LEU 20 HD12 LEU 20 13.764 48.661 80.126 136 3HD1 LEU 20 HD11 LEU 20 12.438 49.826 80.135 137 1HD2 LEU 20 HD22 LEU 20 16.426 50.805 80.960 138 2HD2 LEU 20 HD21 LEU 20 15.448 49.592 81.784 139 3HD2 LEU 20 HD23 LEU 20 16.002 49.305 80.135 140 H THR 21 HN THR 21 13.066 52.824 81.652 141 HA THR 21 HA THR 21 10.593 53.350 80.159 142 HB THR 21 HB THR 21 9.458 52.588 82.052 143 HG1 THR 21 HG1 THR 21 9.974 53.253 83.970 144 1HG2 THR 21 HG21 THR 21 11.087 50.893 81.150 145 2HG2 THR 21 HG23 THR 21 12.202 51.363 82.433 146 3HG2 THR 21 HG22 THR 21 10.647 50.637 82.839 147 H GLY 22 HN GLY 22 12.619 55.067 82.508 148 1HA GLY 22 HA2 GLY 22 12.642 57.376 83.006 149 2HA GLY 22 HA1 GLY 22 11.446 57.609 81.727 150 H GLU 23 HN GLU 23 11.644 56.129 85.002 151 HA GLU 23 HA GLU 23 9.315 57.655 85.886 152 1HB GLU 23 HB2 GLU 23 8.539 55.558 84.491 153 2HB GLU 23 HB1 GLU 23 8.993 54.660 85.937 154 1HG GLU 23 HG2 GLU 23 6.567 55.348 85.859 155 2HG GLU 23 HG1 GLU 23 7.438 55.913 87.290 156 H CYS 24 HN CYS 24 8.903 57.205 88.244 157 HA CYS 24 HA CYS 24 11.210 57.093 89.814 158 1HB CYS 24 HB2 CYS 24 8.322 56.459 90.352 159 2HB CYS 24 HB1 CYS 24 9.514 56.096 91.599 160 H LEU 25 HN LEU 25 12.672 55.489 90.034 161 HA LEU 25 HA LEU 25 11.703 52.675 89.800 162 1HB LEU 25 HB2 LEU 25 12.872 53.215 87.801 163 2HB LEU 25 HB1 LEU 25 14.164 54.019 88.678 164 HG LEU 25 HG LEU 25 15.009 51.977 89.469 165 1HD1 LEU 25 HD13 LEU 25 12.259 51.089 89.017 166 2HD1 LEU 25 HD12 LEU 25 13.439 49.926 88.416 167 3HD1 LEU 25 HD11 LEU 25 13.473 50.419 90.108 168 1HD2 LEU 25 HD22 LEU 25 14.090 51.732 86.608 169 2HD2 LEU 25 HD21 LEU 25 15.652 52.308 87.193 170 3HD2 LEU 25 HD23 LEU 25 15.226 50.604 87.347 171 H LYS 26 HN LYS 26 12.542 54.639 92.127 172 HA LYS 26 HA LYS 26 13.820 52.535 93.727 173 1HB LYS 26 HB2 LYS 26 15.265 55.173 93.518 174 2HB LYS 26 HB1 LYS 26 15.818 53.689 94.284 175 1HG LYS 26 HG2 LYS 26 15.832 52.574 92.059 176 2HG LYS 26 HG1 LYS 26 15.390 54.112 91.312 177 1HD LYS 26 HD2 LYS 26 17.850 53.672 91.244 178 2HD LYS 26 HD1 LYS 26 17.443 55.139 92.138 179 1HE LYS 26 HE2 LYS 26 18.204 54.291 94.096 180 2HE LYS 26 HE1 LYS 26 17.440 52.728 93.809 181 1HZ LYS 26 HZ1 LYS 26 19.926 53.629 92.466 182 2HZ LYS 26 HZ3 LYS 26 19.900 52.659 93.858 183 3HZ LYS 26 HZ2 LYS 26 19.232 52.079 92.407 184 H CYS 27 HN CYS 27 11.606 53.016 94.768 185 HA CYS 27 HA CYS 27 10.907 55.525 95.867 186 1HB CYS 27 HB2 CYS 27 10.317 52.861 97.174 187 2HB CYS 27 HB1 CYS 27 9.334 54.322 97.208 188 H ILE 28 HN ILE 28 11.111 56.315 98.102 189 HA ILE 28 HA ILE 28 13.582 55.288 99.416 190 HB ILE 28 HB ILE 28 13.152 57.734 100.573 191 1HG1 ILE 28 HG12 ILE 28 12.787 58.254 97.647 192 2HG1 ILE 28 HG11 ILE 28 11.374 57.982 98.659 193 1HG2 ILE 28 HG21 ILE 28 15.084 56.463 99.030 194 2HG2 ILE 28 HG23 ILE 28 14.722 57.929 98.121 195 3HG2 ILE 28 HG22 ILE 28 15.250 58.042 99.800 196 1HD1 ILE 28 HD11 ILE 28 12.148 59.775 100.191 197 2HD1 ILE 28 HD13 ILE 28 13.505 60.078 99.106 198 3HD1 ILE 28 HD12 ILE 28 11.855 60.372 98.557 199 H TYR 29 HN TYR 29 10.703 57.074 100.495 200 HA TYR 29 HA TYR 29 10.912 56.205 103.207 201 1HB TYR 29 HB2 TYR 29 8.479 57.265 101.755 202 2HB TYR 29 HB1 TYR 29 8.686 57.184 103.504 203 HD1 TYR 29 HD2 TYR 29 11.427 58.038 103.945 204 HD2 TYR 29 HD1 TYR 29 8.539 59.513 101.130 205 HE1 TYR 29 HE2 TYR 29 12.587 60.229 103.901 206 HE2 TYR 29 HE1 TYR 29 9.697 61.703 101.086 207 HH TYR 29 HH TYR 29 12.750 62.204 102.807 208 H ASN 30 HN ASN 30 11.116 53.797 102.664 209 HA ASN 30 HA ASN 30 10.175 51.640 102.377 210 1HB ASN 30 HB2 ASN 30 9.523 52.968 104.790 211 2HB ASN 30 HB1 ASN 30 8.087 52.064 104.305 212 1HD2 ASN 30 HD22 ASN 30 11.552 49.948 105.018 213 2HD2 ASN 30 HD21 ASN 30 11.667 51.555 104.484 214 H THR 31 HN THR 31 9.123 52.950 100.248 215 HA THR 31 HA THR 31 6.225 52.189 100.400 216 HB THR 31 HB THR 31 5.646 53.915 98.864 217 HG1 THR 31 HG1 THR 31 7.434 53.736 97.506 218 1HG2 THR 31 HG21 THR 31 6.420 54.513 101.327 219 2HG2 THR 31 HG23 THR 31 7.682 55.400 100.472 220 3HG2 THR 31 HG22 THR 31 5.984 55.784 100.184 221 H ALA 32 HN ALA 32 5.417 50.982 98.666 222 HA ALA 32 HA ALA 32 7.483 50.089 96.683 223 1HB ALA 32 HB3 ALA 32 5.495 48.494 98.281 224 2HB ALA 32 HB2 ALA 32 6.101 47.885 96.741 225 3HB ALA 32 HB1 ALA 32 7.222 48.210 98.064 226 H GLY 33 HN GLY 33 6.462 49.135 94.669 227 1HA GLY 33 HA2 GLY 33 4.300 48.990 93.369 228 2HA GLY 33 HA1 GLY 33 3.926 50.587 94.020 229 H PHE 34 HN PHE 34 4.131 49.896 91.202 230 HA PHE 34 HA PHE 34 6.602 50.588 90.018 231 1HB PHE 34 HB2 PHE 34 4.401 49.756 88.909 232 2HB PHE 34 HB1 PHE 34 3.939 51.455 88.859 233 HD1 PHE 34 HD2 PHE 34 5.588 53.112 87.726 234 HD2 PHE 34 HD1 PHE 34 5.786 48.846 87.224 235 HE1 PHE 34 HE2 PHE 34 6.941 53.411 85.672 236 HE2 PHE 34 HE1 PHE 34 7.133 49.151 85.169 237 HZ PHE 34 HZ PHE 34 7.710 51.432 84.392 238 H TYR 35 HN TYR 35 4.125 52.690 91.457 239 HA TYR 35 HA TYR 35 5.831 55.041 90.741 240 1HB TYR 35 HB2 TYR 35 2.849 54.737 91.046 241 2HB TYR 35 HB1 TYR 35 3.612 56.310 91.271 242 HD1 TYR 35 HD1 TYR 35 3.750 53.416 88.880 243 HD2 TYR 35 HD2 TYR 35 3.802 57.680 89.398 244 HE1 TYR 35 HE1 TYR 35 3.854 53.714 86.420 245 HE2 TYR 35 HE2 TYR 35 3.906 57.978 86.939 246 HH TYR 35 HH TYR 35 3.399 55.354 84.746 247 H CYS 36 HN CYS 36 6.077 53.203 93.079 248 HA CYS 36 HA CYS 36 6.311 53.328 95.417 249 1HB CYS 36 HB2 CYS 36 6.638 56.282 94.808 250 2HB CYS 36 HB1 CYS 36 7.252 55.422 96.220 251 H ASP 37 HN ASP 37 3.617 53.318 94.604 252 HA ASP 37 HA ASP 37 2.357 55.354 96.395 253 1HB ASP 37 HB2 ASP 37 0.321 55.022 95.152 254 2HB ASP 37 HB1 ASP 37 1.619 55.207 93.969 255 H ARG 38 HN ARG 38 3.649 52.638 97.050 256 HA ARG 38 HA ARG 38 1.321 51.588 98.572 257 1HB ARG 38 HB2 ARG 38 2.484 50.226 96.489 258 2HB ARG 38 HB1 ARG 38 3.411 49.626 97.864 259 1HG ARG 38 HG2 ARG 38 1.565 48.156 97.748 260 2HG ARG 38 HG1 ARG 38 1.113 49.297 99.015 261 1HD ARG 38 HD2 ARG 38 -0.797 49.549 97.813 262 2HD ARG 38 HD1 ARG 38 0.187 50.577 96.772 263 HE ARG 38 HE ARG 38 0.558 48.542 95.340 264 1HH1 ARG 38 HH11 ARG 38 -0.476 46.442 97.156 265 2HH1 ARG 38 HH12 ARG 38 -2.089 46.193 96.575 266 1HH2 ARG 38 HH21 ARG 38 -2.194 49.167 94.794 267 2HH2 ARG 38 HH22 ARG 38 -3.061 47.735 95.239 268 H CYS 39 HN CYS 39 2.379 49.956 100.267 269 HA CYS 39 HA CYS 39 4.677 51.388 101.532 270 1HB CYS 39 HB2 CYS 39 2.035 50.490 102.585 271 2HB CYS 39 HB1 CYS 39 3.399 50.284 103.675 272 H LYS 40 HN LYS 40 6.409 50.043 102.192 273 HA LYS 40 HA LYS 40 6.662 47.455 101.103 274 1HB LYS 40 HB2 LYS 40 8.635 48.612 101.834 275 2HB LYS 40 HB1 LYS 40 8.017 48.742 103.480 276 1HG LYS 40 HG2 LYS 40 8.262 46.409 103.873 277 2HG LYS 40 HG1 LYS 40 8.494 46.070 102.159 278 1HD LYS 40 HD2 LYS 40 10.397 47.875 103.642 279 2HD LYS 40 HD1 LYS 40 10.594 46.123 103.685 280 1HE LYS 40 HE2 LYS 40 11.254 46.011 101.504 281 2HE LYS 40 HE1 LYS 40 10.138 47.279 100.997 282 1HZ LYS 40 HZ2 LYS 40 11.701 48.805 102.324 283 2HZ LYS 40 HZ1 LYS 40 12.826 47.541 102.173 284 3HZ LYS 40 HZ3 LYS 40 12.192 48.279 100.786 285 H GLU 41 HN GLU 41 6.137 45.433 101.811 286 HA GLU 41 HA GLU 41 4.036 45.058 103.693 287 1HB GLU 41 HB2 GLU 41 4.638 42.625 103.513 288 2HB GLU 41 HB1 GLU 41 4.425 43.419 101.952 289 1HG GLU 41 HG2 GLU 41 6.744 43.499 101.536 290 2HG GLU 41 HG1 GLU 41 7.146 43.254 103.235 291 H GLY 42 HN GLY 42 4.086 44.852 105.911 292 1HA GLY 42 HA2 GLY 42 5.334 43.725 107.826 293 2HA GLY 42 HA1 GLY 42 6.782 44.511 107.173 294 H PHE 43 HN PHE 43 5.441 46.899 106.368 295 HA PHE 43 HA PHE 43 4.553 48.012 108.970 296 1HB PHE 43 HB2 PHE 43 6.250 49.604 107.063 297 2HB PHE 43 HB1 PHE 43 5.861 49.932 108.753 298 HD1 PHE 43 HD1 PHE 43 6.492 47.763 110.336 299 HD2 PHE 43 HD2 PHE 43 8.429 48.899 106.676 300 HE1 PHE 43 HE1 PHE 43 8.532 46.538 111.038 301 HE2 PHE 43 HE2 PHE 43 10.469 47.674 107.376 302 HZ PHE 43 HZ PHE 43 10.521 46.493 109.556 303 H PHE 44 HN PHE 44 2.788 49.146 108.785 304 HA PHE 44 HA PHE 44 1.692 49.714 106.072 305 1HB PHE 44 HB2 PHE 44 0.034 49.864 108.568 306 2HB PHE 44 HB1 PHE 44 -0.451 49.415 106.933 307 HD1 PHE 44 HD1 PHE 44 0.267 47.187 105.992 308 HD2 PHE 44 HD2 PHE 44 0.807 48.221 110.126 309 HE1 PHE 44 HE1 PHE 44 0.582 44.793 106.550 310 HE2 PHE 44 HE2 PHE 44 1.124 45.825 110.684 311 HZ PHE 44 HZ PHE 44 1.010 44.111 108.894 312 H GLY 45 HN GLY 45 0.024 51.734 106.330 313 1HA GLY 45 HA2 GLY 45 -0.047 53.881 107.791 314 2HA GLY 45 HA1 GLY 45 1.694 53.905 107.522 315 H ASN 46 HN ASN 46 1.737 55.816 106.352 316 HA ASN 46 HA ASN 46 0.310 55.748 103.719 317 1HB ASN 46 HB2 ASN 46 1.075 58.121 105.441 318 2HB ASN 46 HB1 ASN 46 0.428 58.252 103.807 319 1HD2 ASN 46 HD22 ASN 46 -2.879 57.214 104.773 320 2HD2 ASN 46 HD21 ASN 46 -1.795 57.233 103.467 321 HA PRO 47 HA PRO 47 4.622 55.639 102.432 322 1HB PRO 47 HB2 PRO 47 4.063 54.830 99.866 323 2HB PRO 47 HB1 PRO 47 4.142 53.721 101.246 324 1HG PRO 47 HG2 PRO 47 1.747 54.733 99.788 325 2HG PRO 47 HG1 PRO 47 1.952 53.230 100.702 326 1HD PRO 47 HD2 PRO 47 0.625 55.564 101.610 327 2HD PRO 47 HD1 PRO 47 1.109 54.177 102.609 328 H LEU 48 HN LEU 48 1.929 57.269 100.827 329 HA LEU 48 HA LEU 48 3.888 59.143 99.560 330 1HB LEU 48 HB2 LEU 48 1.791 57.761 98.392 331 2HB LEU 48 HB1 LEU 48 1.107 59.364 98.671 332 HG LEU 48 HG LEU 48 3.662 58.710 97.179 333 1HD1 LEU 48 HD11 LEU 48 0.961 58.945 96.371 334 2HD1 LEU 48 HD13 LEU 48 1.765 60.422 95.839 335 3HD1 LEU 48 HD12 LEU 48 2.384 58.850 95.332 336 1HD2 LEU 48 HD22 LEU 48 2.609 61.235 98.382 337 2HD2 LEU 48 HD21 LEU 48 4.278 60.710 98.158 338 3HD2 LEU 48 HD23 LEU 48 3.361 61.342 96.791 339 H ALA 49 HN ALA 49 3.318 59.521 102.296 340 HA ALA 49 HA ALA 49 1.207 61.579 102.458 341 1HB ALA 49 HB2 ALA 49 1.787 59.836 104.290 342 2HB ALA 49 HB1 ALA 49 3.168 60.877 104.639 343 3HB ALA 49 HB3 ALA 49 1.527 61.504 104.799 344 HA PRO 50 HA PRO 50 3.942 64.941 101.823 345 1HB PRO 50 HB2 PRO 50 2.683 66.847 103.368 346 2HB PRO 50 HB1 PRO 50 2.092 66.328 101.781 347 1HG PRO 50 HG2 PRO 50 1.055 65.621 104.495 348 2HG PRO 50 HG1 PRO 50 0.183 65.749 102.957 349 1HD PRO 50 HD2 PRO 50 0.974 63.340 104.154 350 2HD PRO 50 HD1 PRO 50 0.543 63.539 102.441 351 H ASN 51 HN ASN 51 3.036 64.001 105.075 352 HA ASN 51 HA ASN 51 5.547 65.199 106.144 353 1HB ASN 51 HB2 ASN 51 2.890 64.704 107.239 354 2HB ASN 51 HB1 ASN 51 4.159 64.044 108.272 355 1HD2 ASN 51 HD22 ASN 51 4.213 68.102 107.542 356 2HD2 ASN 51 HD21 ASN 51 3.601 67.060 106.350 357 HA PRO 52 HA PRO 52 7.266 61.108 106.124 358 1HB PRO 52 HB2 PRO 52 9.412 61.644 107.768 359 2HB PRO 52 HB1 PRO 52 9.340 62.104 106.057 360 1HG PRO 52 HG2 PRO 52 9.034 63.819 108.479 361 2HG PRO 52 HG1 PRO 52 9.632 64.250 106.869 362 1HD PRO 52 HD2 PRO 52 7.058 64.829 107.853 363 2HD PRO 52 HD1 PRO 52 7.545 64.863 106.144 364 H ALA 53 HN ALA 53 5.663 62.574 108.719 365 HA ALA 53 HA ALA 53 6.451 60.631 110.781 366 1HB ALA 53 HB3 ALA 53 5.364 63.163 110.873 367 2HB ALA 53 HB2 ALA 53 3.957 62.148 111.189 368 3HB ALA 53 HB1 ALA 53 5.381 62.028 112.224 369 H ASP 54 HN ASP 54 4.290 60.727 108.150 370 HA ASP 54 HA ASP 54 2.623 58.550 109.348 371 1HB ASP 54 HB2 ASP 54 1.941 60.046 106.820 372 2HB ASP 54 HB1 ASP 54 0.859 59.199 107.925 373 H LYS 55 HN LYS 55 5.249 57.991 108.359 374 HA LYS 55 HA LYS 55 5.179 57.082 105.615 375 1HB LYS 55 HB2 LYS 55 6.947 55.802 107.677 376 2HB LYS 55 HB1 LYS 55 7.322 56.256 106.018 377 1HG LYS 55 HG2 LYS 55 6.658 58.648 107.312 378 2HG LYS 55 HG1 LYS 55 7.676 57.765 108.449 379 1HD LYS 55 HD2 LYS 55 8.697 57.567 105.727 380 2HD LYS 55 HD1 LYS 55 8.568 59.247 106.251 381 1HE LYS 55 HE2 LYS 55 10.253 59.023 107.748 382 2HE LYS 55 HE1 LYS 55 9.642 57.474 108.328 383 1HZ LYS 55 HZ1 LYS 55 10.495 56.681 106.004 384 2HZ LYS 55 HZ3 LYS 55 11.502 58.040 106.134 385 3HZ LYS 55 HZ2 LYS 55 11.564 56.823 107.318 386 H CYS 56 HN CYS 56 6.231 54.421 106.026 387 HA CYS 56 HA CYS 56 3.697 52.993 106.684 388 1HB CYS 56 HB2 CYS 56 6.120 51.762 105.363 389 2HB CYS 56 HB1 CYS 56 4.443 51.224 105.291 390 H LYS 57 HN LYS 57 3.985 52.947 109.001 391 HA LYS 57 HA LYS 57 6.361 51.386 109.922 392 1HB LYS 57 HB2 LYS 57 4.754 53.585 111.212 393 2HB LYS 57 HB1 LYS 57 5.679 52.455 112.201 394 1HG LYS 57 HG2 LYS 57 7.417 53.870 111.853 395 2HG LYS 57 HG1 LYS 57 7.501 53.133 110.253 396 1HD LYS 57 HD2 LYS 57 7.310 55.337 109.611 397 2HD LYS 57 HD1 LYS 57 5.595 54.949 109.747 398 1HE LYS 57 HE2 LYS 57 6.404 55.631 112.352 399 2HE LYS 57 HE1 LYS 57 7.171 56.823 111.303 400 1HZ LYS 57 HZ1 LYS 57 5.025 57.255 110.281 401 2HZ LYS 57 HZ3 LYS 57 4.288 56.111 111.294 402 3HZ LYS 57 HZ2 LYS 57 4.957 57.524 111.957 403 H ALA 58 HN ALA 58 5.735 50.264 112.155 404 HA ALA 58 HA ALA 58 3.577 48.411 111.526 405 1HB ALA 58 HB1 ALA 58 5.490 48.709 113.844 406 2HB ALA 58 HB3 ALA 58 4.179 47.530 113.881 407 3HB ALA 58 HB2 ALA 58 5.425 47.427 112.636 No H/Q in entry = 407
Contact the webmaster for help, if required. Sunday, July 7, 2024 7:46:07 PM GMT (wattos1)