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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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4140 |
1esk ![]() ![]() |
cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ASN 12 1H ASN 12 97.065 140.049 105.278 2 2H ASN 12 2H ASN 12 96.903 141.649 104.907 3 3H ASN 12 3H ASN 12 95.942 140.963 106.069 4 HA ASN 12 HA ASN 12 97.623 142.159 107.230 5 1HB ASN 12 1HB ASN 12 98.473 139.451 107.284 6 2HB ASN 12 2HB ASN 12 98.574 140.606 108.598 7 1HD2 ASN 12 2HD2 ASN 12 96.422 138.405 106.818 8 2HD2 ASN 12 1HD2 ASN 12 95.088 138.497 107.955 9 H VAL 13 H VAL 13 100.079 141.859 107.820 10 HA VAL 13 HA VAL 13 101.827 142.632 105.726 11 HB VAL 13 HB VAL 13 102.833 142.928 107.801 12 1HG1 VAL 13 1HG2 VAL 13 101.353 141.752 109.277 13 2HG1 VAL 13 2HG2 VAL 13 101.850 140.175 108.609 14 3HG1 VAL 13 3HG2 VAL 13 102.983 141.144 109.573 15 1HG2 VAL 13 1HG1 VAL 13 104.758 141.454 108.070 16 2HG2 VAL 13 2HG1 VAL 13 104.472 141.622 106.334 17 3HG2 VAL 13 3HG1 VAL 13 103.980 140.149 107.195 18 H LYS 14 H LYS 14 102.959 141.483 104.209 19 HA LYS 14 HA LYS 14 103.311 138.653 104.527 20 1HB LYS 14 2HB LYS 14 102.352 137.761 102.630 21 2HB LYS 14 1HB LYS 14 101.114 138.804 103.185 22 1HG LYS 14 2HG LYS 14 102.996 139.227 100.915 23 2HG LYS 14 1HG LYS 14 101.252 138.999 100.837 24 1HD LYS 14 1HD LYS 14 100.889 141.195 101.944 25 2HD LYS 14 2HD LYS 14 102.644 141.478 101.952 26 1HE LYS 14 1HE LYS 14 102.701 141.259 99.479 27 2HE LYS 14 2HE LYS 14 100.937 141.061 99.466 28 1HZ LYS 14 1HZ LYS 14 102.399 143.416 100.439 29 2HZ LYS 14 2HZ LYS 14 100.759 143.241 100.435 30 3HZ LYS 14 3HZ LYS 14 101.586 143.301 99.011 31 H CYS 15 H CYS 15 104.458 137.811 102.625 32 HA CYS 15 HA CYS 15 106.957 139.317 102.613 33 1HB CYS 15 1HB CYS 15 106.813 137.136 103.575 34 2HB CYS 15 2HB CYS 15 106.056 136.463 102.176 35 H PHE 16 H PHE 16 108.215 139.660 100.841 36 HA PHE 16 HA PHE 16 106.764 140.157 98.301 37 1HB PHE 16 2HB PHE 16 109.539 140.941 99.216 38 2HB PHE 16 1HB PHE 16 108.744 141.373 97.720 39 HD1 PHE 16 HD1 PHE 16 108.980 142.035 101.329 40 HD2 PHE 16 HD2 PHE 16 106.765 142.919 97.736 41 HE1 PHE 16 HE1 PHE 16 107.889 143.946 102.470 42 HE2 PHE 16 HE2 PHE 16 105.697 144.848 98.875 43 HZ PHE 16 HZ PHE 16 106.248 145.355 101.247 44 H ASN 17 H ASN 17 109.439 138.406 99.614 45 HA ASN 17 HA ASN 17 110.486 137.008 97.375 46 1HB ASN 17 1HB ASN 17 111.718 137.137 99.431 47 2HB ASN 17 2HB ASN 17 110.394 136.583 100.369 48 1HD2 ASN 17 1HD2 ASN 17 112.952 135.564 100.654 49 2HD2 ASN 17 2HD2 ASN 17 112.840 133.877 100.266 50 H CYS 18 H CYS 18 108.618 135.272 99.878 51 HA CYS 18 HA CYS 18 107.623 133.512 97.815 52 1HB CYS 18 1HB CYS 18 107.169 131.988 99.477 53 2HB CYS 18 2HB CYS 18 108.747 132.689 99.822 54 H GLY 19 H GLY 19 106.219 135.986 99.981 55 1HA GLY 19 1HA GLY 19 104.060 136.860 100.158 56 2HA GLY 19 2HA GLY 19 103.690 136.023 98.643 57 H LYS 20 H LYS 20 104.604 134.955 101.906 58 HA LYS 20 HA LYS 20 101.807 133.978 102.383 59 1HB LYS 20 2HB LYS 20 104.167 133.144 104.011 60 2HB LYS 20 1HB LYS 20 102.603 132.461 104.015 61 1HG LYS 20 2HG LYS 20 103.004 131.794 101.582 62 2HG LYS 20 1HG LYS 20 104.648 132.297 101.798 63 1HD LYS 20 1HD LYS 20 104.652 129.932 102.110 64 2HD LYS 20 2HD LYS 20 104.878 130.646 103.714 65 1HE LYS 20 2HE LYS 20 102.490 130.255 104.249 66 2HE LYS 20 1HE LYS 20 102.194 129.691 102.593 67 1HZ LYS 20 1HZ LYS 20 103.668 127.868 103.025 68 2HZ LYS 20 2HZ LYS 20 103.949 128.401 104.560 69 3HZ LYS 20 3HZ LYS 20 102.443 127.898 104.125 70 H GLU 21 H GLU 21 100.950 134.708 104.292 71 HA GLU 21 HA GLU 21 101.847 137.300 104.943 72 1HB GLU 21 1HB GLU 21 99.617 135.649 106.129 73 2HB GLU 21 2HB GLU 21 99.912 137.363 106.501 74 1HG GLU 21 1HG GLU 21 99.572 138.021 104.277 75 2HG GLU 21 2HG GLU 21 99.453 136.373 103.707 76 H GLY 22 H GLY 22 101.882 138.038 107.212 77 1HA GLY 22 1HA GLY 22 102.506 138.074 109.435 78 2HA GLY 22 2HA GLY 22 102.555 136.315 109.435 79 H HIS 23 H HIS 23 104.419 137.738 106.924 80 HA HIS 23 HA HIS 23 106.668 138.498 108.470 81 1HB HIS 23 1HB HIS 23 108.302 136.914 107.860 82 2HB HIS 23 2HB HIS 23 107.102 136.036 108.684 83 HD1 HIS 23 HD1 HIS 23 105.404 134.578 106.819 84 HD2 HIS 23 HD2 HIS 23 109.063 136.065 105.557 85 HE1 HIS 23 HE1 HIS 23 106.029 133.383 104.670 86 H THR 24 H THR 24 108.490 139.005 107.168 87 HA THR 24 HA THR 24 107.745 140.066 104.474 88 HB THR 24 HB THR 24 109.723 141.671 105.053 89 HG1 THR 24 HG1 THR 24 110.436 140.302 106.831 90 1HG2 THR 24 1HG2 THR 24 107.403 142.387 105.142 91 2HG2 THR 24 2HG2 THR 24 107.272 141.773 106.817 92 3HG2 THR 24 3HG2 THR 24 108.386 143.116 106.439 93 H ALA 25 H ALA 25 109.550 140.376 102.989 94 HA ALA 25 HA ALA 25 111.042 138.025 102.463 95 1HB ALA 25 1HB ALA 25 111.522 140.861 101.488 96 2HB ALA 25 2HB ALA 25 112.167 139.355 100.786 97 3HB ALA 25 3HB ALA 25 110.421 139.663 100.770 98 H ARG 26 H ARG 26 111.757 140.742 104.618 99 HA ARG 26 HA ARG 26 114.648 140.214 104.629 100 1HB ARG 26 2HB ARG 26 114.701 141.709 106.586 101 2HB ARG 26 1HB ARG 26 114.022 142.437 105.125 102 1HG ARG 26 2HG ARG 26 111.785 142.267 105.962 103 2HG ARG 26 1HG ARG 26 112.309 141.283 107.354 104 1HD ARG 26 2HD ARG 26 113.484 143.184 108.313 105 2HD ARG 26 1HD ARG 26 113.237 144.127 106.838 106 HE ARG 26 HE ARG 26 111.165 144.720 107.511 107 1HH1 ARG 26 1HH2 ARG 26 112.038 141.825 109.405 108 2HH1 ARG 26 2HH2 ARG 26 110.672 141.978 110.469 109 1HH2 ARG 26 1HH1 ARG 26 109.344 144.835 108.869 110 2HH2 ARG 26 2HH1 ARG 26 109.113 143.662 110.138 111 H ASN 27 H ASN 27 111.818 138.951 106.275 112 HA ASN 27 HA ASN 27 113.374 137.523 108.328 113 1HB ASN 27 1HB ASN 27 110.456 137.330 107.535 114 2HB ASN 27 2HB ASN 27 111.202 136.582 108.951 115 1HD2 ASN 27 1HD2 ASN 27 108.990 138.136 109.333 116 2HD2 ASN 27 2HD2 ASN 27 109.422 139.652 110.080 117 H CYS 28 H CYS 28 111.645 136.970 105.290 118 HA CYS 28 HA CYS 28 111.623 134.178 105.275 119 1HB CYS 28 1HB CYS 28 110.460 135.903 103.665 120 2HB CYS 28 2HB CYS 28 111.850 135.813 102.744 121 H ARG 29 H ARG 29 113.261 132.806 105.287 122 HA ARG 29 HA ARG 29 115.666 133.335 103.580 123 1HB ARG 29 2HB ARG 29 115.387 131.877 106.235 124 2HB ARG 29 1HB ARG 29 116.803 131.716 105.160 125 1HG ARG 29 1HG ARG 29 117.139 134.094 105.107 126 2HG ARG 29 2HG ARG 29 115.689 134.412 106.038 127 1HD ARG 29 1HD ARG 29 116.572 133.412 108.054 128 2HD ARG 29 2HD ARG 29 118.015 132.860 107.189 129 HE ARG 29 HE ARG 29 118.973 134.854 107.579 130 1HH1 ARG 29 2HH2 ARG 29 115.447 135.520 107.672 131 2HH1 ARG 29 1HH2 ARG 29 115.693 137.243 107.757 132 1HH2 ARG 29 1HH1 ARG 29 119.208 137.092 107.841 133 2HH2 ARG 29 2HH1 ARG 29 117.803 138.118 107.970 134 H ALA 30 H ALA 30 113.662 132.874 102.324 135 HA ALA 30 HA ALA 30 113.737 130.002 101.448 136 1HB ALA 30 1HB ALA 30 111.487 130.448 100.442 137 2HB ALA 30 2HB ALA 30 111.648 132.161 100.783 138 3HB ALA 30 3HB ALA 30 111.416 131.024 102.123 139 HA PRO 31 HA PRO 31 116.198 133.831 99.244 140 1HB PRO 31 1HB PRO 31 116.130 131.351 97.570 141 2HB PRO 31 2HB PRO 31 117.362 132.648 97.549 142 1HG PRO 31 2HG PRO 31 117.607 130.478 99.259 143 2HG PRO 31 1HG PRO 31 118.174 132.110 99.701 144 1HD PRO 31 2HD PRO 31 116.014 130.620 100.909 145 2HD PRO 31 1HD PRO 31 116.589 132.205 101.388 146 H ARG 32 H ARG 32 115.940 134.867 96.969 147 HA ARG 32 HA ARG 32 113.098 135.485 97.085 148 1HB ARG 32 1HB ARG 32 115.213 136.719 95.320 149 2HB ARG 32 2HB ARG 32 113.565 137.238 95.490 150 1HG ARG 32 2HG ARG 32 114.648 138.695 96.833 151 2HG ARG 32 1HG ARG 32 113.902 137.571 97.967 152 1HD ARG 32 1HD ARG 32 116.805 137.239 97.139 153 2HD ARG 32 2HD ARG 32 116.380 138.520 98.270 154 HE ARG 32 HE ARG 32 116.644 135.758 98.860 155 1HH1 ARG 32 2HH2 ARG 32 114.733 138.605 99.820 156 2HH1 ARG 32 1HH2 ARG 32 114.414 137.998 101.428 157 1HH2 ARG 32 1HH1 ARG 32 116.193 134.984 100.969 158 2HH2 ARG 32 2HH1 ARG 32 115.202 135.916 102.058 159 H LYS 33 H LYS 33 111.783 135.543 95.308 160 HA LYS 33 HA LYS 33 111.950 133.133 93.665 161 1HB LYS 33 2HB LYS 33 109.677 135.018 94.380 162 2HB LYS 33 1HB LYS 33 109.468 133.442 93.637 163 1HG LYS 33 2HG LYS 33 110.576 134.017 96.406 164 2HG LYS 33 1HG LYS 33 109.062 133.263 95.968 165 1HD LYS 33 1HD LYS 33 110.498 131.398 94.862 166 2HD LYS 33 2HD LYS 33 111.874 132.143 95.708 167 1HE LYS 33 2HE LYS 33 110.510 131.878 97.870 168 2HE LYS 33 1HE LYS 33 109.406 130.864 96.929 169 1HZ LYS 33 1HZ LYS 33 111.366 129.495 96.407 170 2HZ LYS 33 2HZ LYS 33 112.270 130.429 97.432 171 3HZ LYS 33 3HZ LYS 33 111.017 129.543 98.017 172 H LYS 34 H LYS 34 110.680 133.037 91.718 173 HA LYS 34 HA LYS 34 111.998 134.696 89.745 174 1HB LYS 34 2HB LYS 34 110.374 132.131 89.688 175 2HB LYS 34 1HB LYS 34 110.952 132.850 88.196 176 1HG LYS 34 2HG LYS 34 113.043 132.480 90.321 177 2HG LYS 34 1HG LYS 34 112.245 131.037 89.712 178 1HD LYS 34 2HD LYS 34 114.271 131.472 88.436 179 2HD LYS 34 1HD LYS 34 112.883 131.657 87.367 180 1HE LYS 34 2HE LYS 34 114.259 134.018 88.751 181 2HE LYS 34 1HE LYS 34 114.797 133.372 87.196 182 1HZ LYS 34 1HZ LYS 34 113.381 135.214 86.878 183 2HZ LYS 34 2HZ LYS 34 112.139 134.510 87.692 184 3HZ LYS 34 3HZ LYS 34 112.667 133.859 86.275 185 H GLY 35 H GLY 35 108.975 134.121 90.816 186 1HA GLY 35 1HA GLY 35 107.341 135.475 88.798 187 2HA GLY 35 2HA GLY 35 106.834 135.253 90.469 188 H CYS 36 H CYS 36 106.071 137.531 89.573 189 HA CYS 36 HA CYS 36 108.007 139.671 89.798 190 1HB CYS 36 2HB CYS 36 105.461 139.875 88.857 191 2HB CYS 36 1HB CYS 36 105.146 140.265 90.433 192 H TRP 37 H TRP 37 108.926 140.378 91.573 193 HA TRP 37 HA TRP 37 108.455 139.393 94.201 194 1HB TRP 37 2HB TRP 37 110.490 140.524 92.942 195 2HB TRP 37 1HB TRP 37 109.852 142.009 93.644 196 HD1 TRP 37 HD1 TRP 37 111.196 138.551 94.366 197 HE1 TRP 37 HE1 TRP 37 112.350 138.493 96.728 198 HE3 TRP 37 HE3 TRP 37 110.109 143.265 95.904 199 HZ2 TRP 37 HZ2 TRP 37 112.780 140.313 98.879 200 HZ3 TRP 37 HZ3 TRP 37 110.960 144.134 98.080 201 HH2 TRP 37 HH2 TRP 37 112.297 142.664 99.572 202 H LYS 38 H LYS 38 107.012 141.974 92.364 203 HA LYS 38 HA LYS 38 105.954 143.327 94.782 204 1HB LYS 38 1HB LYS 38 107.654 144.338 93.239 205 2HB LYS 38 2HB LYS 38 106.483 144.342 91.954 206 1HG LYS 38 1HG LYS 38 106.009 145.701 94.637 207 2HG LYS 38 2HG LYS 38 106.854 146.430 93.261 208 1HD LYS 38 1HD LYS 38 104.706 145.933 91.887 209 2HD LYS 38 2HD LYS 38 103.920 145.629 93.442 210 1HE LYS 38 1HE LYS 38 103.501 147.897 92.674 211 2HE LYS 38 2HE LYS 38 104.413 147.912 94.194 212 1HZ LYS 38 1HZ LYS 38 105.713 148.122 91.570 213 2HZ LYS 38 2HZ LYS 38 105.178 149.453 92.405 214 3HZ LYS 38 3HZ LYS 38 106.343 148.475 93.038 215 H CYS 39 H CYS 39 105.085 142.742 91.302 216 HA CYS 39 HA CYS 39 102.440 143.826 91.929 217 1HB CYS 39 2HB CYS 39 102.163 144.294 89.787 218 2HB CYS 39 1HB CYS 39 103.897 144.166 89.767 219 H GLY 40 H GLY 40 103.789 140.662 91.895 220 1HA GLY 40 1HA GLY 40 102.706 138.972 93.075 221 2HA GLY 40 2HA GLY 40 101.123 139.668 92.732 222 H LYS 41 H LYS 41 102.049 139.859 89.741 223 HA LYS 41 HA LYS 41 101.113 137.234 88.900 224 1HB LYS 41 1HB LYS 41 102.409 139.537 87.424 225 2HB LYS 41 2HB LYS 41 101.892 138.046 86.625 226 1HG LYS 41 1HG LYS 41 99.593 138.369 87.306 227 2HG LYS 41 2HG LYS 41 100.036 139.785 88.259 228 1HD LYS 41 2HD LYS 41 99.011 140.501 86.193 229 2HD LYS 41 1HD LYS 41 100.722 140.956 86.147 230 1HE LYS 41 2HE LYS 41 101.219 139.036 84.672 231 2HE LYS 41 1HE LYS 41 99.561 138.433 84.857 232 1HZ LYS 41 1HZ LYS 41 100.321 140.968 83.588 233 2HZ LYS 41 2HZ LYS 41 99.863 139.590 82.811 234 3HZ LYS 41 3HZ LYS 41 98.785 140.395 83.758 235 H GLU 42 H GLU 42 102.420 135.989 87.398 236 HA GLU 42 HA GLU 42 105.285 135.765 88.188 237 1HB GLU 42 1HB GLU 42 105.059 133.380 88.594 238 2HB GLU 42 2HB GLU 42 103.975 134.299 89.649 239 1HG GLU 42 2HG GLU 42 102.100 133.851 88.044 240 2HG GLU 42 1HG GLU 42 103.199 132.837 87.090 241 H GLY 43 H GLY 43 103.189 135.991 85.575 242 1HA GLY 43 1HA GLY 43 104.786 134.374 83.708 243 2HA GLY 43 2HA GLY 43 103.458 135.483 83.341 244 H HIS 44 H HIS 44 106.549 135.749 85.016 245 HA HIS 44 HA HIS 44 108.331 137.073 83.606 246 1HB HIS 44 1HB HIS 44 108.044 139.483 83.999 247 2HB HIS 44 2HB HIS 44 106.889 138.882 82.875 248 HD1 HIS 44 HD1 HIS 44 104.345 139.152 83.674 249 HD2 HIS 44 HD2 HIS 44 107.062 140.242 86.645 250 HE1 HIS 44 HE1 HIS 44 103.148 140.501 85.462 251 H GLN 45 H GLN 45 109.776 138.487 84.967 252 HA GLN 45 HA GLN 45 109.524 137.858 87.875 253 1HB GLN 45 1HB GLN 45 111.890 137.708 88.042 254 2HB GLN 45 2HB GLN 45 111.452 136.802 86.596 255 1HG GLN 45 1HG GLN 45 111.827 138.996 85.342 256 2HG GLN 45 2HG GLN 45 112.703 139.529 86.735 257 1HE2 GLN 45 2HE2 GLN 45 113.695 138.964 83.971 258 2HE2 GLN 45 1HE2 GLN 45 114.951 137.755 84.156 259 H MET 46 H MET 46 111.333 139.465 88.879 260 HA MET 46 HA MET 46 109.614 141.730 89.285 261 1HB MET 46 1HB MET 46 110.906 141.995 91.268 262 2HB MET 46 2HB MET 46 110.944 140.287 90.907 263 1HG MET 46 1HG MET 46 113.170 140.427 89.984 264 2HG MET 46 2HG MET 46 113.194 142.181 90.181 265 1HE MET 46 1HE MET 46 113.584 142.729 93.985 266 2HE MET 46 2HE MET 46 112.094 142.858 93.033 267 3HE MET 46 3HE MET 46 113.628 143.466 92.369 268 H LYS 47 H LYS 47 112.765 141.217 87.793 269 HA LYS 47 HA LYS 47 113.378 143.908 87.131 270 1HB LYS 47 1HB LYS 47 114.208 141.561 85.392 271 2HB LYS 47 2HB LYS 47 115.078 143.047 85.785 272 1HG LYS 47 1HG LYS 47 115.059 142.038 88.240 273 2HG LYS 47 2HG LYS 47 114.707 140.519 87.425 274 1HD LYS 47 1HD LYS 47 117.107 142.305 86.846 275 2HD LYS 47 2HD LYS 47 117.123 140.829 87.826 276 1HE LYS 47 1HE LYS 47 116.402 139.498 85.855 277 2HE LYS 47 2HE LYS 47 116.413 140.963 84.854 278 1HZ LYS 47 1HZ LYS 47 118.742 139.812 86.212 279 2HZ LYS 47 2HZ LYS 47 118.741 141.179 85.289 280 3HZ LYS 47 3HZ LYS 47 118.406 139.721 84.602 281 H ASP 48 H ASP 48 112.064 141.281 85.173 282 HA ASP 48 HA ASP 48 111.505 142.438 82.759 283 1HB ASP 48 2HB ASP 48 110.046 140.383 84.426 284 2HB ASP 48 1HB ASP 48 109.519 140.724 82.797 285 H CYS 49 H CYS 49 109.366 142.429 85.632 286 HA CYS 49 HA CYS 49 107.021 143.088 84.461 287 1HB CYS 49 2HB CYS 49 107.284 142.447 86.740 288 2HB CYS 49 1HB CYS 49 107.914 143.990 87.201 289 H THR 50 H THR 50 106.312 144.773 83.269 290 HA THR 50 HA THR 50 107.547 147.442 83.356 291 HB THR 50 HB THR 50 105.946 147.891 81.513 292 HG1 THR 50 HG1 THR 50 104.310 146.488 82.164 293 1HG2 THR 50 1HG2 THR 50 108.184 146.934 81.020 294 2HG2 THR 50 2HG2 THR 50 106.950 146.406 79.860 295 3HG2 THR 50 3HG2 THR 50 107.505 145.295 81.125 296 H GLU 51 H GLU 51 106.746 147.071 85.818 297 HA GLU 51 HA GLU 51 104.131 148.354 86.266 298 1HB GLU 51 2HB GLU 51 104.652 147.931 88.612 299 2HB GLU 51 1HB GLU 51 104.690 146.472 87.670 300 1HG GLU 51 2HG GLU 51 107.224 146.563 87.663 301 2HG GLU 51 1HG GLU 51 107.127 148.059 88.606 302 H ARG 52 H ARG 52 107.641 148.881 86.353 303 HA ARG 52 HA ARG 52 107.587 151.573 87.396 304 1HB ARG 52 1HB ARG 52 109.655 150.088 85.742 305 2HB ARG 52 2HB ARG 52 109.933 151.554 86.684 306 1HG ARG 52 2HG ARG 52 109.529 150.287 88.775 307 2HG ARG 52 1HG ARG 52 109.208 148.818 87.837 308 1HD ARG 52 1HD ARG 52 111.826 150.356 87.927 309 2HD ARG 52 2HD ARG 52 111.520 148.778 88.653 310 HE ARG 52 HE ARG 52 112.085 149.418 85.862 311 1HH1 ARG 52 2HH2 ARG 52 110.682 146.917 87.981 312 2HH1 ARG 52 1HH2 ARG 52 110.680 145.705 86.725 313 1HH2 ARG 52 2HH1 ARG 52 111.916 147.841 84.199 314 2HH2 ARG 52 1HH1 ARG 52 111.452 146.210 84.625 315 H GLN 53 H GLN 53 108.086 150.043 84.241 316 HA GLN 53 HA GLN 53 108.236 152.538 82.769 317 1HB GLN 53 1HB GLN 53 108.418 149.597 81.973 318 2HB GLN 53 2HB GLN 53 108.782 150.972 80.917 319 1HG GLN 53 1HG GLN 53 110.615 151.670 82.383 320 2HG GLN 53 2HG GLN 53 110.221 150.422 83.560 321 1HE2 GLN 53 1HE2 GLN 53 110.820 150.516 79.990 322 2HE2 GLN 53 2HE2 GLN 53 111.896 149.135 80.000 Start of MODEL 2 1 1H ASN 12 1H ASN 12 97.454 143.451 107.335 2 2H ASN 12 2H ASN 12 96.054 142.740 106.834 3 3H ASN 12 3H ASN 12 97.136 143.317 105.726 4 HA ASN 12 HA ASN 12 97.557 141.127 107.569 5 1HB ASN 12 2HB ASN 12 97.804 139.719 105.480 6 2HB ASN 12 1HB ASN 12 96.204 140.104 106.116 7 1HD2 ASN 12 1HD2 ASN 12 94.900 141.690 105.165 8 2HD2 ASN 12 2HD2 ASN 12 95.286 142.411 103.631 9 H VAL 13 H VAL 13 99.708 140.901 108.095 10 HA VAL 13 HA VAL 13 101.823 142.099 106.455 11 HB VAL 13 HB VAL 13 102.391 142.147 108.707 12 1HG1 VAL 13 1HG2 VAL 13 102.432 140.138 110.191 13 2HG1 VAL 13 2HG2 VAL 13 100.803 140.652 109.734 14 3HG1 VAL 13 3HG2 VAL 13 101.546 139.239 108.944 15 1HG2 VAL 13 1HG1 VAL 13 104.249 141.228 107.230 16 2HG2 VAL 13 2HG1 VAL 13 103.793 139.597 107.756 17 3HG2 VAL 13 3HG1 VAL 13 104.385 140.762 108.932 18 H LYS 14 H LYS 14 102.854 141.128 104.876 19 HA LYS 14 HA LYS 14 103.365 138.338 104.877 20 1HB LYS 14 2HB LYS 14 102.581 137.668 102.756 21 2HB LYS 14 1HB LYS 14 101.209 138.257 103.549 22 1HG LYS 14 2HG LYS 14 102.770 139.830 101.554 23 2HG LYS 14 1HG LYS 14 101.299 138.926 101.225 24 1HD LYS 14 2HD LYS 14 100.152 140.333 103.045 25 2HD LYS 14 1HD LYS 14 101.566 141.408 102.980 26 1HE LYS 14 2HE LYS 14 101.157 141.847 100.600 27 2HE LYS 14 1HE LYS 14 99.791 140.712 100.604 28 1HZ LYS 14 1HZ LYS 14 98.703 142.097 102.201 29 2HZ LYS 14 2HZ LYS 14 99.956 143.169 102.198 30 3HZ LYS 14 3HZ LYS 14 99.051 142.955 100.834 31 H CYS 15 H CYS 15 104.658 137.822 102.987 32 HA CYS 15 HA CYS 15 106.915 139.690 103.018 33 1HB CYS 15 1HB CYS 15 107.075 137.456 103.845 34 2HB CYS 15 2HB CYS 15 106.389 136.771 102.400 35 H PHE 16 H PHE 16 108.275 139.655 101.004 36 HA PHE 16 HA PHE 16 106.663 139.941 98.479 37 1HB PHE 16 1HB PHE 16 109.000 141.619 99.433 38 2HB PHE 16 2HB PHE 16 108.217 141.712 97.859 39 HD1 PHE 16 HD1 PHE 16 107.890 142.487 101.461 40 HD2 PHE 16 HD2 PHE 16 105.925 142.618 97.622 41 HE1 PHE 16 HE1 PHE 16 106.130 143.951 102.408 42 HE2 PHE 16 HE2 PHE 16 104.183 144.107 98.571 43 HZ PHE 16 HZ PHE 16 104.276 144.765 100.967 44 H ASN 17 H ASN 17 109.809 139.287 99.872 45 HA ASN 17 HA ASN 17 111.337 138.126 97.904 46 1HB ASN 17 1HB ASN 17 112.053 138.635 100.179 47 2HB ASN 17 2HB ASN 17 110.896 137.516 100.835 48 1HD2 ASN 17 2HD2 ASN 17 111.124 135.161 99.890 49 2HD2 ASN 17 1HD2 ASN 17 112.707 134.565 100.262 50 H CYS 18 H CYS 18 108.713 136.635 99.750 51 HA CYS 18 HA CYS 18 108.472 134.447 97.754 52 1HB CYS 18 2HB CYS 18 108.137 132.796 99.222 53 2HB CYS 18 1HB CYS 18 109.587 133.609 99.793 54 H GLY 19 H GLY 19 106.801 136.558 100.190 55 1HA GLY 19 1HA GLY 19 104.565 137.190 100.417 56 2HA GLY 19 2HA GLY 19 104.347 136.690 98.728 57 H LYS 20 H LYS 20 104.987 135.405 101.956 58 HA LYS 20 HA LYS 20 102.371 134.016 101.996 59 1HB LYS 20 1HB LYS 20 104.712 133.001 103.581 60 2HB LYS 20 2HB LYS 20 103.182 132.282 103.412 61 1HG LYS 20 2HG LYS 20 103.861 132.244 100.817 62 2HG LYS 20 1HG LYS 20 105.450 132.457 101.485 63 1HD LYS 20 2HD LYS 20 105.474 130.180 101.469 64 2HD LYS 20 1HD LYS 20 104.765 130.403 103.065 65 1HE LYS 20 1HE LYS 20 103.257 129.874 100.450 66 2HE LYS 20 2HE LYS 20 103.534 128.704 101.749 67 1HZ LYS 20 1HZ LYS 20 101.354 129.623 101.858 68 2HZ LYS 20 2HZ LYS 20 102.211 130.081 103.189 69 3HZ LYS 20 3HZ LYS 20 101.939 131.157 101.969 70 H GLU 21 H GLU 21 101.414 134.269 103.982 71 HA GLU 21 HA GLU 21 101.956 136.845 105.017 72 1HB GLU 21 1HB GLU 21 99.929 134.799 105.902 73 2HB GLU 21 2HB GLU 21 99.924 136.531 106.321 74 1HG GLU 21 1HG GLU 21 99.432 137.232 104.185 75 2HG GLU 21 2HG GLU 21 99.944 135.744 103.428 76 H GLY 22 H GLY 22 101.818 137.305 107.311 77 1HA GLY 22 1HA GLY 22 102.325 137.125 109.572 78 2HA GLY 22 2HA GLY 22 102.576 135.394 109.365 79 H HIS 23 H HIS 23 104.380 137.275 107.133 80 HA HIS 23 HA HIS 23 106.485 138.070 108.869 81 1HB HIS 23 2HB HIS 23 108.284 136.713 108.186 82 2HB HIS 23 1HB HIS 23 107.113 135.631 108.792 83 HD1 HIS 23 HD1 HIS 23 105.664 134.279 106.709 84 HD2 HIS 23 HD2 HIS 23 109.200 136.244 105.820 85 HE1 HIS 23 HE1 HIS 23 106.441 133.487 104.419 86 H THR 24 H THR 24 108.366 138.808 107.604 87 HA THR 24 HA THR 24 107.429 140.265 105.155 88 HB THR 24 HB THR 24 109.191 141.954 105.857 89 HG1 THR 24 HG1 THR 24 109.244 140.514 108.289 90 1HG2 THR 24 1HG2 THR 24 107.998 142.917 107.713 91 2HG2 THR 24 2HG2 THR 24 107.127 141.389 108.000 92 3HG2 THR 24 3HG2 THR 24 106.860 142.302 106.488 93 H ALA 25 H ALA 25 109.147 141.021 103.736 94 HA ALA 25 HA ALA 25 110.837 139.022 102.664 95 1HB ALA 25 1HB ALA 25 110.080 141.004 101.420 96 2HB ALA 25 2HB ALA 25 111.851 140.889 101.413 97 3HB ALA 25 3HB ALA 25 111.041 142.056 102.481 98 H ARG 26 H ARG 26 111.387 141.339 105.347 99 HA ARG 26 HA ARG 26 114.289 140.893 105.229 100 1HB ARG 26 1HB ARG 26 114.436 142.237 107.221 101 2HB ARG 26 2HB ARG 26 113.562 143.044 105.914 102 1HG ARG 26 2HG ARG 26 111.429 142.637 107.020 103 2HG ARG 26 1HG ARG 26 112.219 141.665 108.280 104 1HD ARG 26 2HD ARG 26 111.775 143.876 109.169 105 2HD ARG 26 1HD ARG 26 113.512 143.636 109.005 106 HE ARG 26 HE ARG 26 113.633 145.326 107.472 107 1HH1 ARG 26 2HH2 ARG 26 110.222 144.388 107.776 108 2HH1 ARG 26 1HH2 ARG 26 109.638 145.723 106.815 109 1HH2 ARG 26 2HH1 ARG 26 112.857 147.063 106.206 110 2HH2 ARG 26 1HH1 ARG 26 111.148 147.247 105.912 111 H ASN 27 H ASN 27 111.529 139.536 106.994 112 HA ASN 27 HA ASN 27 113.156 137.995 108.853 113 1HB ASN 27 1HB ASN 27 110.254 137.780 107.994 114 2HB ASN 27 2HB ASN 27 110.982 136.859 109.319 115 1HD2 ASN 27 2HD2 ASN 27 108.787 138.255 109.964 116 2HD2 ASN 27 1HD2 ASN 27 109.196 139.691 110.878 117 H CYS 28 H CYS 28 111.668 137.465 105.696 118 HA CYS 28 HA CYS 28 111.433 134.743 105.624 119 1HB CYS 28 1HB CYS 28 110.633 136.468 103.918 120 2HB CYS 28 2HB CYS 28 112.209 136.464 103.267 121 H ARG 29 H ARG 29 112.634 133.043 105.377 122 HA ARG 29 HA ARG 29 115.295 133.181 104.054 123 1HB ARG 29 2HB ARG 29 114.673 131.642 106.614 124 2HB ARG 29 1HB ARG 29 116.153 131.470 105.631 125 1HG ARG 29 2HG ARG 29 116.542 133.913 105.812 126 2HG ARG 29 1HG ARG 29 115.120 134.050 106.847 127 1HD ARG 29 1HD ARG 29 116.174 132.517 108.508 128 2HD ARG 29 2HD ARG 29 117.644 132.478 107.502 129 HE ARG 29 HE ARG 29 116.948 135.186 108.008 130 1HH1 ARG 29 1HH2 ARG 29 118.153 132.362 109.782 131 2HH1 ARG 29 2HH2 ARG 29 118.985 133.310 110.988 132 1HH2 ARG 29 2HH1 ARG 29 118.041 136.426 109.590 133 2HH2 ARG 29 1HH1 ARG 29 118.921 135.641 110.875 134 H ALA 30 H ALA 30 113.265 132.966 102.758 135 HA ALA 30 HA ALA 30 113.122 130.095 101.837 136 1HB ALA 30 1HB ALA 30 110.862 131.069 102.670 137 2HB ALA 30 2HB ALA 30 110.952 132.168 101.278 138 3HB ALA 30 3HB ALA 30 110.867 130.435 101.012 139 HA PRO 31 HA PRO 31 115.634 133.768 99.480 140 1HB PRO 31 1HB PRO 31 115.548 131.116 98.043 141 2HB PRO 31 2HB PRO 31 116.767 132.421 97.831 142 1HG PRO 31 2HG PRO 31 117.130 130.486 99.736 143 2HG PRO 31 1HG PRO 31 117.553 132.188 100.067 144 1HD PRO 31 1HD PRO 31 115.407 130.604 101.257 145 2HD PRO 31 2HD PRO 31 115.979 132.206 101.747 146 H ARG 32 H ARG 32 115.589 134.421 97.010 147 HA ARG 32 HA ARG 32 112.975 135.532 96.871 148 1HB ARG 32 2HB ARG 32 115.377 135.714 94.988 149 2HB ARG 32 1HB ARG 32 113.965 136.763 94.972 150 1HG ARG 32 1HG ARG 32 115.622 137.929 95.977 151 2HG ARG 32 2HG ARG 32 114.528 137.548 97.296 152 1HD ARG 32 1HD ARG 32 116.990 135.813 96.849 153 2HD ARG 32 2HD ARG 32 117.222 137.473 97.403 154 HE ARG 32 HE ARG 32 115.199 136.292 98.988 155 1HH1 ARG 32 2HH2 ARG 32 118.723 136.174 98.580 156 2HH1 ARG 32 1HH2 ARG 32 119.028 135.929 100.280 157 1HH2 ARG 32 2HH1 ARG 32 115.594 136.041 101.173 158 2HH2 ARG 32 1HH1 ARG 32 117.218 135.819 101.780 159 H LYS 33 H LYS 33 111.867 135.717 94.761 160 HA LYS 33 HA LYS 33 111.235 132.994 93.847 161 1HB LYS 33 2HB LYS 33 109.130 133.824 93.323 162 2HB LYS 33 1HB LYS 33 109.596 134.592 94.831 163 1HG LYS 33 1HG LYS 33 110.205 136.657 93.488 164 2HG LYS 33 2HG LYS 33 109.653 135.818 92.036 165 1HD LYS 33 1HD LYS 33 107.827 137.141 92.716 166 2HD LYS 33 2HD LYS 33 107.383 135.494 93.138 167 1HE LYS 33 2HE LYS 33 107.747 135.867 95.472 168 2HE LYS 33 1HE LYS 33 108.764 137.282 95.163 169 1HZ LYS 33 1HZ LYS 33 106.677 137.924 95.982 170 2HZ LYS 33 2HZ LYS 33 106.827 138.466 94.443 171 3HZ LYS 33 3HZ LYS 33 105.860 137.161 94.760 172 H LYS 34 H LYS 34 110.113 133.095 91.561 173 HA LYS 34 HA LYS 34 111.926 134.173 89.512 174 1HB LYS 34 2HB LYS 34 112.028 132.221 88.353 175 2HB LYS 34 1HB LYS 34 112.919 132.352 89.897 176 1HG LYS 34 1HG LYS 34 111.272 130.844 91.005 177 2HG LYS 34 2HG LYS 34 110.319 130.754 89.515 178 1HD LYS 34 1HD LYS 34 112.257 129.649 88.367 179 2HD LYS 34 2HD LYS 34 113.153 129.700 89.894 180 1HE LYS 34 1HE LYS 34 112.199 127.485 89.609 181 2HE LYS 34 2HE LYS 34 111.392 128.288 90.966 182 1HZ LYS 34 1HZ LYS 34 110.336 128.073 88.227 183 2HZ LYS 34 2HZ LYS 34 109.566 128.780 89.499 184 3HZ LYS 34 3HZ LYS 34 109.860 127.162 89.513 185 H GLY 35 H GLY 35 110.282 135.130 89.917 186 1HA GLY 35 1HA GLY 35 108.365 135.532 87.733 187 2HA GLY 35 2HA GLY 35 107.503 135.157 89.234 188 H CYS 36 H CYS 36 106.812 137.448 88.489 189 HA CYS 36 HA CYS 36 108.531 139.663 89.028 190 1HB CYS 36 2HB CYS 36 106.215 139.821 87.877 191 2HB CYS 36 1HB CYS 36 105.526 139.862 89.358 192 H TRP 37 H TRP 37 109.545 139.728 90.855 193 HA TRP 37 HA TRP 37 109.057 138.887 93.396 194 1HB TRP 37 2HB TRP 37 111.022 140.125 92.245 195 2HB TRP 37 1HB TRP 37 110.262 141.605 92.834 196 HD1 TRP 37 HD1 TRP 37 112.012 138.439 93.766 197 HE1 TRP 37 HE1 TRP 37 112.961 138.583 96.210 198 HE3 TRP 37 HE3 TRP 37 109.793 142.796 95.250 199 HZ2 TRP 37 HZ2 TRP 37 112.693 140.321 98.455 200 HZ3 TRP 37 HZ3 TRP 37 110.210 143.711 97.514 201 HH2 TRP 37 HH2 TRP 37 111.644 142.483 99.127 202 H LYS 38 H LYS 38 107.683 141.697 91.758 203 HA LYS 38 HA LYS 38 106.637 142.823 94.260 204 1HB LYS 38 2HB LYS 38 108.090 144.020 92.526 205 2HB LYS 38 1HB LYS 38 106.733 143.966 91.435 206 1HG LYS 38 1HG LYS 38 106.778 146.077 92.480 207 2HG LYS 38 2HG LYS 38 105.337 145.210 93.038 208 1HD LYS 38 2HD LYS 38 106.338 144.803 95.216 209 2HD LYS 38 1HD LYS 38 107.919 145.377 94.656 210 1HE LYS 38 1HE LYS 38 106.712 147.032 96.076 211 2HE LYS 38 2HE LYS 38 107.087 147.655 94.460 212 1HZ LYS 38 1HZ LYS 38 104.845 148.156 95.179 213 2HZ LYS 38 2HZ LYS 38 104.861 147.257 93.801 214 3HZ LYS 38 3HZ LYS 38 104.480 146.549 95.245 215 H CYS 39 H CYS 39 105.545 142.023 90.901 216 HA CYS 39 HA CYS 39 102.781 142.720 91.764 217 1HB CYS 39 2HB CYS 39 102.469 143.662 89.820 218 2HB CYS 39 1HB CYS 39 104.200 143.626 89.649 219 H GLY 40 H GLY 40 104.700 139.944 91.136 220 1HA GLY 40 1HA GLY 40 103.947 137.917 92.005 221 2HA GLY 40 2HA GLY 40 102.275 138.282 91.591 222 H LYS 41 H LYS 41 102.883 139.070 88.812 223 HA LYS 41 HA LYS 41 102.378 136.455 87.771 224 1HB LYS 41 1HB LYS 41 103.128 138.920 86.248 225 2HB LYS 41 2HB LYS 41 102.440 137.478 85.523 226 1HG LYS 41 2HG LYS 41 100.354 137.736 86.517 227 2HG LYS 41 1HG LYS 41 100.939 138.873 87.725 228 1HD LYS 41 2HD LYS 41 99.561 140.006 86.057 229 2HD LYS 41 1HD LYS 41 101.225 140.594 85.941 230 1HE LYS 41 2HE LYS 41 101.622 139.141 83.973 231 2HE LYS 41 1HE LYS 41 100.017 138.411 84.167 232 1HZ LYS 41 1HZ LYS 41 100.536 141.230 83.533 233 2HZ LYS 41 2HZ LYS 41 99.052 140.536 83.711 234 3HZ LYS 41 3HZ LYS 41 100.033 140.071 82.475 235 H GLU 42 H GLU 42 103.479 135.292 86.386 236 HA GLU 42 HA GLU 42 106.466 135.404 86.648 237 1HB GLU 42 1HB GLU 42 106.518 132.996 86.792 238 2HB GLU 42 2HB GLU 42 105.508 133.700 88.062 239 1HG GLU 42 2HG GLU 42 103.474 133.154 86.751 240 2HG GLU 42 1HG GLU 42 104.492 132.428 85.491 241 H GLY 43 H GLY 43 104.054 135.593 84.306 242 1HA GLY 43 1HA GLY 43 105.320 134.378 82.057 243 2HA GLY 43 2HA GLY 43 104.227 135.775 82.037 244 H HIS 44 H HIS 44 105.982 137.265 83.942 245 HA HIS 44 HA HIS 44 108.466 137.777 82.393 246 1HB HIS 44 2HB HIS 44 108.201 140.160 82.899 247 2HB HIS 44 1HB HIS 44 106.933 139.579 81.873 248 HD1 HIS 44 HD1 HIS 44 104.480 139.779 82.849 249 HD2 HIS 44 HD2 HIS 44 107.377 140.688 85.708 250 HE1 HIS 44 HE1 HIS 44 103.365 140.778 84.888 251 H GLN 45 H GLN 45 109.923 139.180 83.868 252 HA GLN 45 HA GLN 45 109.879 138.040 86.639 253 1HB GLN 45 2HB GLN 45 112.261 138.050 86.625 254 2HB GLN 45 1HB GLN 45 111.742 137.317 85.122 255 1HG GLN 45 1HG GLN 45 111.871 139.864 84.296 256 2HG GLN 45 2HG GLN 45 113.015 139.945 85.573 257 1HE2 GLN 45 2HE2 GLN 45 112.417 138.611 82.391 258 2HE2 GLN 45 1HE2 GLN 45 114.013 137.928 82.147 259 H MET 46 H MET 46 111.555 139.487 87.874 260 HA MET 46 HA MET 46 109.912 141.701 88.677 261 1HB MET 46 1HB MET 46 111.471 141.733 90.584 262 2HB MET 46 2HB MET 46 111.337 140.062 90.057 263 1HG MET 46 2HG MET 46 113.427 140.254 88.774 264 2HG MET 46 1HG MET 46 113.634 141.907 89.366 265 1HE MET 46 1HE MET 46 114.471 141.440 93.118 266 2HE MET 46 2HE MET 46 112.902 141.879 92.417 267 3HE MET 46 3HE MET 46 114.399 142.567 91.745 268 H LYS 47 H LYS 47 112.874 141.415 86.831 269 HA LYS 47 HA LYS 47 113.510 144.208 86.709 270 1HB LYS 47 2HB LYS 47 114.220 142.166 84.561 271 2HB LYS 47 1HB LYS 47 115.048 143.658 85.018 272 1HG LYS 47 2HG LYS 47 115.256 142.363 87.367 273 2HG LYS 47 1HG LYS 47 115.060 140.945 86.343 274 1HD LYS 47 2HD LYS 47 117.165 143.136 86.065 275 2HD LYS 47 1HD LYS 47 117.448 141.507 86.680 276 1HE LYS 47 2HE LYS 47 116.574 142.173 83.820 277 2HE LYS 47 1HE LYS 47 118.228 141.839 84.339 278 1HZ LYS 47 1HZ LYS 47 117.210 139.919 83.416 279 2HZ LYS 47 2HZ LYS 47 115.996 139.937 84.521 280 3HZ LYS 47 3HZ LYS 47 117.545 139.661 85.007 281 H ASP 48 H ASP 48 112.037 142.018 84.364 282 HA ASP 48 HA ASP 48 111.410 143.657 82.259 283 1HB ASP 48 1HB ASP 48 109.895 141.339 83.488 284 2HB ASP 48 2HB ASP 48 109.494 141.977 81.898 285 H CYS 49 H CYS 49 109.411 143.080 85.161 286 HA CYS 49 HA CYS 49 107.005 143.897 84.256 287 1HB CYS 49 2HB CYS 49 107.453 142.829 86.359 288 2HB CYS 49 1HB CYS 49 108.047 144.268 87.079 289 H THR 50 H THR 50 106.021 145.670 83.639 290 HA THR 50 HA THR 50 107.323 148.193 83.391 291 HB THR 50 HB THR 50 105.079 148.872 82.463 292 HG1 THR 50 HG1 THR 50 103.565 147.197 82.250 293 1HG2 THR 50 1HG2 THR 50 106.238 146.261 81.380 294 2HG2 THR 50 2HG2 THR 50 106.845 147.894 81.029 295 3HG2 THR 50 3HG2 THR 50 105.224 147.416 80.493 296 H GLU 51 H GLU 51 105.603 146.881 86.065 297 HA GLU 51 HA GLU 51 104.538 149.296 87.213 298 1HB GLU 51 1HB GLU 51 103.921 147.061 88.059 299 2HB GLU 51 2HB GLU 51 105.591 146.719 88.517 300 1HG GLU 51 1HG GLU 51 105.446 148.873 89.965 301 2HG GLU 51 2HG GLU 51 103.724 148.808 89.650 302 H ARG 52 H ARG 52 107.561 147.466 87.557 303 HA ARG 52 HA ARG 52 109.012 149.449 89.022 304 1HB ARG 52 2HB ARG 52 110.028 147.107 87.372 305 2HB ARG 52 1HB ARG 52 110.911 147.978 88.618 306 1HG ARG 52 1HG ARG 52 108.411 146.263 89.084 307 2HG ARG 52 2HG ARG 52 110.081 145.801 89.360 308 1HD ARG 52 2HD ARG 52 109.351 146.356 91.476 309 2HD ARG 52 1HD ARG 52 110.269 147.770 90.977 310 HE ARG 52 HE ARG 52 107.261 147.491 90.885 311 1HH1 ARG 52 2HH2 ARG 52 110.038 149.655 91.468 312 2HH1 ARG 52 1HH2 ARG 52 109.054 150.871 92.231 313 1HH2 ARG 52 1HH1 ARG 52 106.039 149.052 91.974 314 2HH2 ARG 52 2HH1 ARG 52 106.773 150.565 92.452 315 H GLN 53 H GLN 53 109.084 148.459 85.594 316 HA GLN 53 HA GLN 53 110.836 150.710 84.878 317 1HB GLN 53 1HB GLN 53 109.673 148.388 83.278 318 2HB GLN 53 2HB GLN 53 110.794 149.618 82.681 319 1HG GLN 53 2HG GLN 53 112.394 148.926 84.529 320 2HG GLN 53 1HG GLN 53 111.317 147.562 84.857 321 1HE2 GLN 53 2HE2 GLN 53 110.645 146.404 82.560 322 2HE2 GLN 53 1HE2 GLN 53 112.031 146.036 81.558 Start of MODEL 3 1 1H ASN 12 1H ASN 12 95.527 139.748 106.566 2 2H ASN 12 2H ASN 12 96.731 138.867 105.838 3 3H ASN 12 3H ASN 12 96.235 140.272 105.169 4 HA ASN 12 HA ASN 12 97.049 141.542 106.955 5 1HB ASN 12 1HB ASN 12 98.272 140.685 108.807 6 2HB ASN 12 2HB ASN 12 96.641 140.020 108.757 7 1HD2 ASN 12 1HD2 ASN 12 96.324 137.889 107.769 8 2HD2 ASN 12 2HD2 ASN 12 97.687 136.861 107.478 9 H VAL 13 H VAL 13 99.553 141.643 107.554 10 HA VAL 13 HA VAL 13 101.231 142.078 105.455 11 HB VAL 13 HB VAL 13 102.197 142.580 107.505 12 1HG1 VAL 13 1HG2 VAL 13 102.521 140.960 109.373 13 2HG1 VAL 13 2HG2 VAL 13 101.582 139.767 108.459 14 3HG1 VAL 13 3HG2 VAL 13 100.819 141.272 109.028 15 1HG2 VAL 13 1HG1 VAL 13 103.941 141.380 106.068 16 2HG2 VAL 13 2HG1 VAL 13 103.602 139.903 106.990 17 3HG2 VAL 13 3HG1 VAL 13 104.263 141.307 107.805 18 H LYS 14 H LYS 14 102.379 140.967 103.971 19 HA LYS 14 HA LYS 14 103.021 138.204 104.407 20 1HB LYS 14 2HB LYS 14 102.119 137.135 102.570 21 2HB LYS 14 1HB LYS 14 100.794 138.069 103.133 22 1HG LYS 14 1HG LYS 14 102.550 138.635 100.792 23 2HG LYS 14 2HG LYS 14 100.852 138.161 100.771 24 1HD LYS 14 1HD LYS 14 100.242 140.317 101.896 25 2HD LYS 14 2HD LYS 14 101.933 140.846 101.736 26 1HE LYS 14 1HE LYS 14 101.796 140.560 99.275 27 2HE LYS 14 2HE LYS 14 100.093 140.083 99.429 28 1HZ LYS 14 1HZ LYS 14 99.643 142.236 100.360 29 2HZ LYS 14 2HZ LYS 14 100.323 142.379 98.867 30 3HZ LYS 14 3HZ LYS 14 101.225 142.678 100.213 31 H CYS 15 H CYS 15 104.210 137.394 102.513 32 HA CYS 15 HA CYS 15 106.544 139.138 102.381 33 1HB CYS 15 1HB CYS 15 106.598 137.000 103.449 34 2HB CYS 15 2HB CYS 15 105.936 136.192 102.065 35 H PHE 16 H PHE 16 107.704 139.601 100.609 36 HA PHE 16 HA PHE 16 106.188 140.016 98.124 37 1HB PHE 16 1HB PHE 16 109.037 140.714 98.866 38 2HB PHE 16 2HB PHE 16 108.190 141.210 97.416 39 HD1 PHE 16 HD1 PHE 16 106.055 142.631 97.669 40 HD2 PHE 16 HD2 PHE 16 108.828 141.973 100.904 41 HE1 PHE 16 HE1 PHE 16 105.128 144.600 98.874 42 HE2 PHE 16 HE2 PHE 16 107.913 143.946 102.090 43 HZ PHE 16 HZ PHE 16 106.066 145.264 101.077 44 H ASN 17 H ASN 17 108.982 138.321 99.290 45 HA ASN 17 HA ASN 17 109.921 136.936 97.022 46 1HB ASN 17 1HB ASN 17 111.242 137.264 99.097 47 2HB ASN 17 2HB ASN 17 110.014 136.518 100.020 48 1HD2 ASN 17 1HD2 ASN 17 112.205 135.586 100.666 49 2HD2 ASN 17 2HD2 ASN 17 112.432 133.969 100.061 50 H CYS 18 H CYS 18 108.466 135.192 99.774 51 HA CYS 18 HA CYS 18 107.627 133.141 97.915 52 1HB CYS 18 1HB CYS 18 107.450 131.708 99.688 53 2HB CYS 18 2HB CYS 18 108.919 132.649 99.927 54 H GLY 19 H GLY 19 106.006 135.662 99.828 55 1HA GLY 19 1HA GLY 19 103.776 136.280 100.071 56 2HA GLY 19 2HA GLY 19 103.468 135.330 98.612 57 H LYS 20 H LYS 20 104.534 134.598 101.912 58 HA LYS 20 HA LYS 20 101.896 133.331 102.521 59 1HB LYS 20 1HB LYS 20 104.364 132.695 104.070 60 2HB LYS 20 2HB LYS 20 102.896 131.834 104.054 61 1HG LYS 20 2HG LYS 20 103.299 131.265 101.673 62 2HG LYS 20 1HG LYS 20 104.864 132.007 101.756 63 1HD LYS 20 1HD LYS 20 105.521 130.451 103.612 64 2HD LYS 20 2HD LYS 20 103.970 129.618 103.434 65 1HE LYS 20 1HE LYS 20 106.135 129.873 101.285 66 2HE LYS 20 2HE LYS 20 105.818 128.435 102.268 67 1HZ LYS 20 1HZ LYS 20 103.949 129.643 100.352 68 2HZ LYS 20 2HZ LYS 20 104.806 128.255 100.138 69 3HZ LYS 20 3HZ LYS 20 103.634 128.326 101.293 70 H GLU 21 H GLU 21 101.058 134.037 104.425 71 HA GLU 21 HA GLU 21 101.714 136.727 104.915 72 1HB GLU 21 1HB GLU 21 99.687 134.932 106.253 73 2HB GLU 21 2HB GLU 21 99.822 136.684 106.521 74 1HG GLU 21 1HG GLU 21 99.372 137.194 104.289 75 2HG GLU 21 2HG GLU 21 99.391 135.515 103.796 76 H GLY 22 H GLY 22 101.660 137.576 107.185 77 1HA GLY 22 1HA GLY 22 102.303 137.774 109.391 78 2HA GLY 22 2HA GLY 22 102.622 136.045 109.439 79 H HIS 23 H HIS 23 104.217 137.601 106.836 80 HA HIS 23 HA HIS 23 106.425 138.659 108.286 81 1HB HIS 23 1HB HIS 23 108.163 137.173 107.759 82 2HB HIS 23 2HB HIS 23 107.038 136.244 108.627 83 HD1 HIS 23 HD1 HIS 23 105.419 134.608 106.830 84 HD2 HIS 23 HD2 HIS 23 109.014 136.213 105.514 85 HE1 HIS 23 HE1 HIS 23 106.100 133.379 104.716 86 H THR 24 H THR 24 108.208 139.199 106.900 87 HA THR 24 HA THR 24 107.315 140.031 104.161 88 HB THR 24 HB THR 24 108.966 141.896 104.415 89 HG1 THR 24 HG1 THR 24 109.191 140.925 107.076 90 1HG2 THR 24 1HG2 THR 24 107.747 143.254 105.979 91 2HG2 THR 24 2HG2 THR 24 106.995 141.819 106.720 92 3HG2 THR 24 3HG2 THR 24 106.613 142.261 105.033 93 H ALA 25 H ALA 25 109.129 140.379 102.627 94 HA ALA 25 HA ALA 25 110.826 138.103 102.310 95 1HB ALA 25 1HB ALA 25 110.054 139.504 100.467 96 2HB ALA 25 2HB ALA 25 111.821 139.356 100.501 97 3HB ALA 25 3HB ALA 25 111.042 140.856 101.071 98 H ARG 26 H ARG 26 111.162 140.916 104.340 99 HA ARG 26 HA ARG 26 114.056 141.041 104.443 100 1HB ARG 26 1HB ARG 26 112.050 141.757 106.630 101 2HB ARG 26 2HB ARG 26 113.695 142.358 106.432 102 1HG ARG 26 1HG ARG 26 113.066 143.477 104.365 103 2HG ARG 26 2HG ARG 26 111.398 142.911 104.470 104 1HD ARG 26 2HD ARG 26 112.723 144.657 106.568 105 2HD ARG 26 1HD ARG 26 111.611 145.223 105.301 106 HE ARG 26 HE ARG 26 110.312 143.113 106.618 107 1HH1 ARG 26 2HH2 ARG 26 111.464 146.368 107.435 108 2HH1 ARG 26 1HH2 ARG 26 110.279 146.611 108.693 109 1HH2 ARG 26 2HH1 ARG 26 108.771 143.433 108.262 110 2HH2 ARG 26 1HH1 ARG 26 108.730 144.926 109.164 111 H ASN 27 H ASN 27 111.482 139.642 106.343 112 HA ASN 27 HA ASN 27 113.085 138.191 108.243 113 1HB ASN 27 1HB ASN 27 110.203 137.767 107.419 114 2HB ASN 27 2HB ASN 27 110.949 137.179 108.911 115 1HD2 ASN 27 2HD2 ASN 27 108.711 138.469 109.362 116 2HD2 ASN 27 1HD2 ASN 27 108.966 140.113 109.901 117 H CYS 28 H CYS 28 111.502 137.400 105.186 118 HA CYS 28 HA CYS 28 111.474 134.607 105.370 119 1HB CYS 28 1HB CYS 28 110.391 136.173 103.519 120 2HB CYS 28 2HB CYS 28 111.876 136.028 102.752 121 H ARG 29 H ARG 29 113.027 133.167 105.461 122 HA ARG 29 HA ARG 29 115.563 133.588 103.927 123 1HB ARG 29 1HB ARG 29 115.098 132.272 106.629 124 2HB ARG 29 2HB ARG 29 116.569 132.024 105.649 125 1HG ARG 29 2HG ARG 29 116.961 134.391 105.490 126 2HG ARG 29 1HG ARG 29 115.475 134.780 106.340 127 1HD ARG 29 2HD ARG 29 116.261 133.821 108.431 128 2HD ARG 29 1HD ARG 29 117.719 133.207 107.637 129 HE ARG 29 HE ARG 29 118.719 135.194 107.964 130 1HH1 ARG 29 1HH2 ARG 29 115.204 135.914 107.971 131 2HH1 ARG 29 2HH2 ARG 29 115.468 137.616 108.210 132 1HH2 ARG 29 1HH1 ARG 29 118.983 137.413 108.324 133 2HH2 ARG 29 2HH1 ARG 29 117.595 138.462 108.452 134 H ALA 30 H ALA 30 113.629 133.065 102.586 135 HA ALA 30 HA ALA 30 113.924 130.180 101.786 136 1HB ALA 30 1HB ALA 30 111.650 132.085 100.971 137 2HB ALA 30 2HB ALA 30 111.483 130.951 102.323 138 3HB ALA 30 3HB ALA 30 111.712 130.357 100.667 139 HA PRO 31 HA PRO 31 116.269 134.112 99.619 140 1HB PRO 31 1HB PRO 31 116.404 131.562 98.038 141 2HB PRO 31 2HB PRO 31 117.568 132.923 98.016 142 1HG PRO 31 1HG PRO 31 117.862 130.834 99.809 143 2HG PRO 31 2HG PRO 31 118.297 132.512 100.230 144 1HD PRO 31 2HD PRO 31 116.167 130.910 101.365 145 2HD PRO 31 1HD PRO 31 116.635 132.535 101.840 146 H ARG 32 H ARG 32 116.062 135.007 97.236 147 HA ARG 32 HA ARG 32 113.273 135.626 97.237 148 1HB ARG 32 2HB ARG 32 115.582 136.551 95.512 149 2HB ARG 32 1HB ARG 32 113.957 137.211 95.456 150 1HG ARG 32 1HG ARG 32 115.321 138.578 96.800 151 2HG ARG 32 2HG ARG 32 114.022 137.892 97.785 152 1HD ARG 32 1HD ARG 32 115.808 136.398 98.833 153 2HD ARG 32 2HD ARG 32 116.994 137.188 97.789 154 HE ARG 32 HE ARG 32 116.928 139.048 99.161 155 1HH1 ARG 32 1HH2 ARG 32 114.202 136.900 100.012 156 2HH1 ARG 32 2HH2 ARG 32 113.847 137.771 101.490 157 1HH2 ARG 32 1HH1 ARG 32 116.376 140.166 101.122 158 2HH2 ARG 32 2HH1 ARG 32 115.033 139.594 102.088 159 H LYS 33 H LYS 33 112.120 135.900 95.155 160 HA LYS 33 HA LYS 33 111.725 133.209 94.121 161 1HB LYS 33 2HB LYS 33 109.498 133.920 93.817 162 2HB LYS 33 1HB LYS 33 110.036 134.800 95.232 163 1HG LYS 33 1HG LYS 33 110.599 136.770 93.762 164 2HG LYS 33 2HG LYS 33 109.925 135.898 92.387 165 1HD LYS 33 2HD LYS 33 108.436 136.895 94.817 166 2HD LYS 33 1HD LYS 33 108.361 137.446 93.143 167 1HE LYS 33 2HE LYS 33 107.438 135.239 92.447 168 2HE LYS 33 1HE LYS 33 107.314 134.788 94.160 169 1HZ LYS 33 1HZ LYS 33 106.043 137.132 92.917 170 2HZ LYS 33 2HZ LYS 33 105.278 135.716 93.289 171 3HZ LYS 33 3HZ LYS 33 105.893 136.664 94.491 172 H LYS 34 H LYS 34 110.800 133.014 91.917 173 HA LYS 34 HA LYS 34 112.615 134.082 89.908 174 1HB LYS 34 2HB LYS 34 110.404 132.012 89.721 175 2HB LYS 34 1HB LYS 34 111.646 132.296 88.497 176 1HG LYS 34 1HG LYS 34 112.220 131.321 91.351 177 2HG LYS 34 2HG LYS 34 111.954 130.295 89.954 178 1HD LYS 34 1HD LYS 34 113.920 131.355 88.805 179 2HD LYS 34 2HD LYS 34 114.158 132.401 90.213 180 1HE LYS 34 2HE LYS 34 115.737 130.581 90.326 181 2HE LYS 34 1HE LYS 34 114.565 130.415 91.644 182 1HZ LYS 34 1HZ LYS 34 115.015 128.343 90.544 183 2HZ LYS 34 2HZ LYS 34 113.436 128.759 90.338 184 3HZ LYS 34 3HZ LYS 34 114.506 128.943 89.097 185 H GLY 35 H GLY 35 109.396 133.977 90.597 186 1HA GLY 35 1HA GLY 35 108.136 135.352 88.383 187 2HA GLY 35 2HA GLY 35 107.447 135.172 89.990 188 H CYS 36 H CYS 36 106.738 137.385 88.996 189 HA CYS 36 HA CYS 36 108.483 139.616 89.334 190 1HB CYS 36 2HB CYS 36 105.972 139.617 88.323 191 2HB CYS 36 1HB CYS 36 105.550 139.983 89.865 192 H TRP 37 H TRP 37 109.320 140.385 91.107 193 HA TRP 37 HA TRP 37 108.737 139.461 93.763 194 1HB TRP 37 1HB TRP 37 110.905 140.306 92.632 195 2HB TRP 37 2HB TRP 37 110.319 141.927 93.019 196 HD1 TRP 37 HD1 TRP 37 111.832 138.792 94.347 197 HE1 TRP 37 HE1 TRP 37 112.506 139.059 96.859 198 HE3 TRP 37 HE3 TRP 37 109.700 143.333 95.292 199 HZ2 TRP 37 HZ2 TRP 37 112.126 140.968 98.925 200 HZ3 TRP 37 HZ3 TRP 37 109.869 144.364 97.543 201 HH2 TRP 37 HH2 TRP 37 111.090 143.200 99.366 202 H LYS 38 H LYS 38 107.545 142.103 91.767 203 HA LYS 38 HA LYS 38 106.560 143.579 94.129 204 1HB LYS 38 1HB LYS 38 108.167 144.460 92.250 205 2HB LYS 38 2HB LYS 38 106.746 144.484 91.251 206 1HG LYS 38 1HG LYS 38 106.736 146.584 91.964 207 2HG LYS 38 2HG LYS 38 105.626 145.919 93.145 208 1HD LYS 38 2HD LYS 38 108.613 146.523 93.525 209 2HD LYS 38 1HD LYS 38 107.295 147.579 94.022 210 1HE LYS 38 2HE LYS 38 107.981 144.867 95.212 211 2HE LYS 38 1HE LYS 38 108.169 146.450 95.961 212 1HZ LYS 38 1HZ LYS 38 106.224 145.352 96.744 213 2HZ LYS 38 2HZ LYS 38 105.794 146.706 95.908 214 3HZ LYS 38 3HZ LYS 38 105.607 145.217 95.224 215 H CYS 39 H CYS 39 105.529 142.399 90.860 216 HA CYS 39 HA CYS 39 102.861 143.564 91.446 217 1HB CYS 39 1HB CYS 39 102.658 144.057 89.348 218 2HB CYS 39 2HB CYS 39 104.372 143.803 89.244 219 H GLY 40 H GLY 40 104.437 140.478 91.444 220 1HA GLY 40 1HA GLY 40 103.503 138.796 92.777 221 2HA GLY 40 2HA GLY 40 101.866 139.341 92.421 222 H LYS 41 H LYS 41 102.625 139.470 89.438 223 HA LYS 41 HA LYS 41 101.798 136.796 88.724 224 1HB LYS 41 1HB LYS 41 102.945 139.103 87.128 225 2HB LYS 41 2HB LYS 41 102.394 137.603 86.375 226 1HG LYS 41 2HG LYS 41 100.157 137.886 87.137 227 2HG LYS 41 1HG LYS 41 100.601 139.271 88.147 228 1HD LYS 41 1HD LYS 41 101.249 140.536 86.088 229 2HD LYS 41 2HD LYS 41 100.726 139.168 85.091 230 1HE LYS 41 2HE LYS 41 98.958 140.799 86.983 231 2HE LYS 41 1HE LYS 41 99.032 140.988 85.224 232 1HZ LYS 41 1HZ LYS 41 98.248 138.738 85.006 233 2HZ LYS 41 2HZ LYS 41 97.185 139.660 85.862 234 3HZ LYS 41 3HZ LYS 41 98.145 138.576 86.644 235 H GLU 42 H GLU 42 103.068 135.564 87.140 236 HA GLU 42 HA GLU 42 106.001 135.513 87.683 237 1HB GLU 42 1HB GLU 42 105.962 133.114 88.115 238 2HB GLU 42 2HB GLU 42 104.972 134.000 89.284 239 1HG GLU 42 1HG GLU 42 102.943 133.437 87.954 240 2HG GLU 42 2HG GLU 42 103.936 132.472 86.851 241 H GLY 43 H GLY 43 103.684 135.596 85.276 242 1HA GLY 43 1HA GLY 43 105.193 134.076 83.268 243 2HA GLY 43 2HA GLY 43 103.812 135.154 83.018 244 H HIS 44 H HIS 44 106.998 135.485 84.480 245 HA HIS 44 HA HIS 44 108.676 136.867 83.048 246 1HB HIS 44 2HB HIS 44 108.358 139.264 83.431 247 2HB HIS 44 1HB HIS 44 107.191 138.628 82.343 248 HD1 HIS 44 HD1 HIS 44 104.645 138.794 83.231 249 HD2 HIS 44 HD2 HIS 44 107.409 140.143 86.047 250 HE1 HIS 44 HE1 HIS 44 103.451 140.150 85.013 251 H GLN 45 H GLN 45 110.160 138.240 84.363 252 HA GLN 45 HA GLN 45 110.057 137.441 87.248 253 1HB GLN 45 2HB GLN 45 112.443 137.499 87.315 254 2HB GLN 45 1HB GLN 45 111.983 136.587 85.894 255 1HG GLN 45 2HG GLN 45 112.120 138.900 84.710 256 2HG GLN 45 1HG GLN 45 113.129 139.332 86.030 257 1HE2 GLN 45 2HE2 GLN 45 113.719 138.791 83.046 258 2HE2 GLN 45 1HE2 GLN 45 115.079 137.689 83.104 259 H MET 46 H MET 46 111.727 139.067 88.321 260 HA MET 46 HA MET 46 110.017 141.360 88.814 261 1HB MET 46 2HB MET 46 111.459 141.655 90.772 262 2HB MET 46 1HB MET 46 111.276 139.929 90.490 263 1HG MET 46 2HG MET 46 113.469 139.879 89.324 264 2HG MET 46 1HG MET 46 113.708 141.584 89.735 265 1HE MET 46 1HE MET 46 112.836 142.016 92.653 266 2HE MET 46 2HE MET 46 114.441 142.473 92.041 267 3HE MET 46 3HE MET 46 114.293 141.545 93.550 268 H LYS 47 H LYS 47 113.133 140.800 87.289 269 HA LYS 47 HA LYS 47 113.866 143.491 86.760 270 1HB LYS 47 1HB LYS 47 114.512 141.130 84.947 271 2HB LYS 47 2HB LYS 47 115.438 142.610 85.222 272 1HG LYS 47 1HG LYS 47 115.605 141.745 87.693 273 2HG LYS 47 2HG LYS 47 115.114 140.187 87.036 274 1HD LYS 47 2HD LYS 47 117.527 141.803 86.106 275 2HD LYS 47 1HD LYS 47 117.571 140.416 87.207 276 1HE LYS 47 2HE LYS 47 116.628 138.959 85.433 277 2HE LYS 47 1HE LYS 47 116.606 140.331 84.306 278 1HZ LYS 47 1HZ LYS 47 118.973 140.468 84.521 279 2HZ LYS 47 2HZ LYS 47 118.996 139.188 85.562 280 3HZ LYS 47 3HZ LYS 47 118.516 138.973 84.001 281 H ASP 48 H ASP 48 112.327 141.074 84.694 282 HA ASP 48 HA ASP 48 111.807 142.462 82.370 283 1HB ASP 48 1HB ASP 48 110.192 140.370 83.861 284 2HB ASP 48 2HB ASP 48 109.773 140.869 82.230 285 H CYS 49 H CYS 49 109.733 142.325 85.315 286 HA CYS 49 HA CYS 49 107.464 143.260 84.143 287 1HB CYS 49 2HB CYS 49 107.642 142.274 86.329 288 2HB CYS 49 1HB CYS 49 108.171 143.774 87.019 289 H THR 50 H THR 50 106.635 145.249 83.667 290 HA THR 50 HA THR 50 108.169 147.758 84.028 291 HB THR 50 HB THR 50 106.293 148.722 82.704 292 HG1 THR 50 HG1 THR 50 104.700 147.243 83.356 293 1HG2 THR 50 1HG2 THR 50 107.514 146.231 81.428 294 2HG2 THR 50 2HG2 THR 50 106.824 147.629 80.582 295 3HG2 THR 50 3HG2 THR 50 108.297 147.822 81.552 296 H GLU 51 H GLU 51 107.909 147.007 86.444 297 HA GLU 51 HA GLU 51 105.367 147.848 87.650 298 1HB GLU 51 2HB GLU 51 106.274 146.824 89.650 299 2HB GLU 51 1HB GLU 51 106.141 145.743 88.307 300 1HG GLU 51 1HG GLU 51 108.141 145.174 89.438 301 2HG GLU 51 2HG GLU 51 108.615 145.872 87.904 302 H ARG 52 H ARG 52 108.712 148.939 87.301 303 HA ARG 52 HA ARG 52 108.566 150.951 89.361 304 1HB ARG 52 1HB ARG 52 110.795 151.507 88.575 305 2HB ARG 52 2HB ARG 52 110.586 149.782 88.805 306 1HG ARG 52 2HG ARG 52 110.068 149.845 86.140 307 2HG ARG 52 1HG ARG 52 110.953 151.367 86.246 308 1HD ARG 52 1HD ARG 52 112.508 149.642 85.678 309 2HD ARG 52 2HD ARG 52 112.842 150.137 87.339 310 HE ARG 52 HE ARG 52 111.609 148.175 88.148 311 1HH1 ARG 52 1HH2 ARG 52 112.611 147.904 84.710 312 2HH1 ARG 52 2HH2 ARG 52 112.365 146.171 84.730 313 1HH2 ARG 52 2HH1 ARG 52 111.243 146.042 88.053 314 2HH2 ARG 52 1HH1 ARG 52 111.629 145.092 86.630 315 H GLN 53 H GLN 53 106.320 151.472 87.916 316 HA GLN 53 HA GLN 53 106.774 153.334 85.759 317 1HB GLN 53 2HB GLN 53 104.245 152.584 87.215 318 2HB GLN 53 1HB GLN 53 104.409 153.388 85.644 319 1HG GLN 53 1HG GLN 53 105.218 150.537 86.373 320 2HG GLN 53 2HG GLN 53 103.983 151.088 85.262 321 1HE2 GLN 53 2HE2 GLN 53 104.737 152.392 83.315 322 2HE2 GLN 53 1HE2 GLN 53 106.249 151.901 82.577 Start of MODEL 4 1 1H ASN 12 1H ASN 12 96.922 142.074 108.233 2 2H ASN 12 2H ASN 12 97.564 141.177 109.456 3 3H ASN 12 3H ASN 12 95.986 140.970 109.025 4 HA ASN 12 HA ASN 12 97.259 139.179 108.168 5 1HB ASN 12 1HB ASN 12 95.338 139.658 107.003 6 2HB ASN 12 2HB ASN 12 96.212 140.977 106.236 7 1HD2 ASN 12 1HD2 ASN 12 96.557 137.407 106.708 8 2HD2 ASN 12 2HD2 ASN 12 97.108 137.064 105.088 9 H VAL 13 H VAL 13 99.494 138.994 108.441 10 HA VAL 13 HA VAL 13 101.338 140.876 107.128 11 HB VAL 13 HB VAL 13 102.058 138.302 108.568 12 1HG1 VAL 13 1HG1 VAL 13 103.914 139.411 107.395 13 2HG1 VAL 13 2HG1 VAL 13 104.143 139.451 109.134 14 3HG1 VAL 13 3HG1 VAL 13 103.599 140.909 108.284 15 1HG2 VAL 13 1HG2 VAL 13 101.463 140.911 109.919 16 2HG2 VAL 13 2HG2 VAL 13 102.315 139.515 110.646 17 3HG2 VAL 13 3HG2 VAL 13 100.632 139.339 110.139 18 H LYS 14 H LYS 14 102.588 140.336 105.334 19 HA LYS 14 HA LYS 14 103.318 137.688 104.877 20 1HB LYS 14 1HB LYS 14 102.403 137.035 102.869 21 2HB LYS 14 2HB LYS 14 101.050 137.731 103.581 22 1HG LYS 14 1HG LYS 14 102.761 139.151 101.588 23 2HG LYS 14 2HG LYS 14 101.151 138.494 101.353 24 1HD LYS 14 2HD LYS 14 101.753 140.840 103.191 25 2HD LYS 14 1HD LYS 14 101.059 140.925 101.570 26 1HE LYS 14 1HE LYS 14 99.135 139.524 102.293 27 2HE LYS 14 2HE LYS 14 99.778 139.481 103.943 28 1HZ LYS 14 1HZ LYS 14 99.525 141.804 104.096 29 2HZ LYS 14 2HZ LYS 14 98.105 141.088 103.680 30 3HZ LYS 14 3HZ LYS 14 98.970 141.914 102.537 31 H CYS 15 H CYS 15 104.546 137.418 103.056 32 HA CYS 15 HA CYS 15 106.735 139.367 103.210 33 1HB CYS 15 1HB CYS 15 106.882 137.006 104.062 34 2HB CYS 15 2HB CYS 15 106.459 136.395 102.541 35 H PHE 16 H PHE 16 107.572 140.381 101.475 36 HA PHE 16 HA PHE 16 106.177 140.339 98.919 37 1HB PHE 16 1HB PHE 16 108.837 141.586 99.683 38 2HB PHE 16 2HB PHE 16 107.862 141.947 98.272 39 HD1 PHE 16 HD1 PHE 16 108.457 142.691 101.784 40 HD2 PHE 16 HD2 PHE 16 105.466 142.882 98.684 41 HE1 PHE 16 HE1 PHE 16 107.215 144.391 103.085 42 HE2 PHE 16 HE2 PHE 16 104.231 144.596 99.989 43 HZ PHE 16 HZ PHE 16 105.103 145.348 102.193 44 H ASN 17 H ASN 17 109.229 139.299 100.196 45 HA ASN 17 HA ASN 17 110.599 138.258 98.024 46 1HB ASN 17 2HB ASN 17 111.550 138.792 100.258 47 2HB ASN 17 1HB ASN 17 110.581 137.572 100.965 48 1HD2 ASN 17 2HD2 ASN 17 110.819 135.326 100.173 49 2HD2 ASN 17 1HD2 ASN 17 112.470 134.808 100.311 50 H CYS 18 H CYS 18 108.280 136.510 100.143 51 HA CYS 18 HA CYS 18 108.085 134.323 98.124 52 1HB CYS 18 1HB CYS 18 108.364 132.635 99.577 53 2HB CYS 18 2HB CYS 18 109.724 133.701 99.861 54 H GLY 19 H GLY 19 106.338 136.465 100.236 55 1HA GLY 19 1HA GLY 19 104.508 136.254 101.562 56 2HA GLY 19 2HA GLY 19 103.722 136.223 100.035 57 H LYS 20 H LYS 20 105.214 134.195 102.524 58 HA LYS 20 HA LYS 20 103.105 132.138 102.192 59 1HB LYS 20 2HB LYS 20 105.588 132.425 103.936 60 2HB LYS 20 1HB LYS 20 104.459 131.098 103.954 61 1HG LYS 20 1HG LYS 20 104.975 130.707 101.560 62 2HG LYS 20 2HG LYS 20 106.136 131.975 101.542 63 1HD LYS 20 2HD LYS 20 107.327 129.872 101.698 64 2HD LYS 20 1HD LYS 20 107.537 130.743 103.228 65 1HE LYS 20 2HE LYS 20 105.844 129.327 104.313 66 2HE LYS 20 1HE LYS 20 105.452 128.558 102.762 67 1HZ LYS 20 1HZ LYS 20 106.875 127.211 104.096 68 2HZ LYS 20 2HZ LYS 20 107.662 127.665 102.723 69 3HZ LYS 20 3HZ LYS 20 108.028 128.385 104.160 70 H GLU 21 H GLU 21 102.938 134.626 103.299 71 HA GLU 21 HA GLU 21 102.144 136.045 104.915 72 1HB GLU 21 1HB GLU 21 100.556 133.621 105.498 73 2HB GLU 21 2HB GLU 21 100.176 135.164 106.275 74 1HG GLU 21 1HG GLU 21 99.820 136.176 104.095 75 2HG GLU 21 2HG GLU 21 100.322 134.709 103.281 76 H GLY 22 H GLY 22 101.820 136.427 107.274 77 1HA GLY 22 1HA GLY 22 102.315 136.296 109.525 78 2HA GLY 22 2HA GLY 22 102.778 134.621 109.298 79 H HIS 23 H HIS 23 104.410 136.810 107.224 80 HA HIS 23 HA HIS 23 106.358 137.813 109.008 81 1HB HIS 23 2HB HIS 23 108.332 136.670 108.471 82 2HB HIS 23 1HB HIS 23 107.283 135.458 109.030 83 HD1 HIS 23 HD1 HIS 23 106.147 133.883 106.938 84 HD2 HIS 23 HD2 HIS 23 109.468 136.244 106.139 85 HE1 HIS 23 HE1 HIS 23 107.291 132.990 104.849 86 H THR 24 H THR 24 108.260 138.706 107.805 87 HA THR 24 HA THR 24 107.273 139.987 105.288 88 HB THR 24 HB THR 24 108.605 141.946 106.006 89 HG1 THR 24 HG1 THR 24 109.614 141.798 108.109 90 1HG2 THR 24 1HG2 THR 24 106.993 140.956 108.387 91 2HG2 THR 24 2HG2 THR 24 107.413 142.632 107.978 92 3HG2 THR 24 3HG2 THR 24 106.307 141.716 106.927 93 H ALA 25 H ALA 25 109.034 140.963 103.963 94 HA ALA 25 HA ALA 25 110.993 139.050 103.105 95 1HB ALA 25 1HB ALA 25 109.988 140.727 101.615 96 2HB ALA 25 2HB ALA 25 111.755 140.874 101.639 97 3HB ALA 25 3HB ALA 25 110.760 142.033 102.546 98 H ARG 26 H ARG 26 111.025 141.095 105.897 99 HA ARG 26 HA ARG 26 113.961 141.398 105.943 100 1HB ARG 26 2HB ARG 26 111.950 141.839 108.171 101 2HB ARG 26 1HB ARG 26 113.572 142.508 108.028 102 1HG ARG 26 1HG ARG 26 111.188 143.229 106.226 103 2HG ARG 26 2HG ARG 26 111.736 144.107 107.632 104 1HD ARG 26 2HD ARG 26 112.616 145.230 105.690 105 2HD ARG 26 1HD ARG 26 113.970 144.444 106.528 106 HE ARG 26 HE ARG 26 112.684 142.861 104.421 107 1HH1 ARG 26 2HH2 ARG 26 115.226 145.274 104.951 108 2HH1 ARG 26 1HH2 ARG 26 116.275 144.610 103.725 109 1HH2 ARG 26 1HH1 ARG 26 114.115 141.908 102.952 110 2HH2 ARG 26 2HH1 ARG 26 115.596 142.723 102.516 111 H ASN 27 H ASN 27 111.382 139.591 107.562 112 HA ASN 27 HA ASN 27 113.119 138.078 109.295 113 1HB ASN 27 1HB ASN 27 110.267 137.608 108.400 114 2HB ASN 27 2HB ASN 27 111.030 136.844 109.807 115 1HD2 ASN 27 2HD2 ASN 27 108.645 138.143 110.177 116 2HD2 ASN 27 1HD2 ASN 27 108.897 139.659 111.016 117 H CYS 28 H CYS 28 111.646 137.534 106.152 118 HA CYS 28 HA CYS 28 111.503 134.829 105.880 119 1HB CYS 28 2HB CYS 28 110.706 136.575 104.201 120 2HB CYS 28 1HB CYS 28 112.319 136.825 103.788 121 H ARG 29 H ARG 29 112.688 133.167 105.574 122 HA ARG 29 HA ARG 29 115.347 133.322 104.284 123 1HB ARG 29 2HB ARG 29 114.721 131.867 106.892 124 2HB ARG 29 1HB ARG 29 116.118 131.475 105.854 125 1HG ARG 29 2HG ARG 29 116.866 133.786 105.893 126 2HG ARG 29 1HG ARG 29 115.487 134.252 106.886 127 1HD ARG 29 2HD ARG 29 116.266 132.874 108.765 128 2HD ARG 29 1HD ARG 29 117.593 132.248 107.776 129 HE ARG 29 HE ARG 29 118.828 134.078 108.254 130 1HH1 ARG 29 2HH2 ARG 29 115.422 135.024 108.798 131 2HH1 ARG 29 1HH2 ARG 29 115.852 136.580 109.441 132 1HH2 ARG 29 1HH1 ARG 29 119.336 136.133 109.082 133 2HH2 ARG 29 2HH1 ARG 29 118.070 137.217 109.597 134 H ALA 30 H ALA 30 113.407 133.150 102.947 135 HA ALA 30 HA ALA 30 113.114 130.291 102.032 136 1HB ALA 30 1HB ALA 30 110.792 130.637 101.422 137 2HB ALA 30 2HB ALA 30 110.937 131.267 103.075 138 3HB ALA 30 3HB ALA 30 110.910 132.367 101.682 139 HA PRO 31 HA PRO 31 115.374 133.967 99.425 140 1HB PRO 31 1HB PRO 31 115.178 131.301 98.012 141 2HB PRO 31 2HB PRO 31 116.360 132.614 97.679 142 1HG PRO 31 1HG PRO 31 116.926 130.701 99.551 143 2HG PRO 31 2HG PRO 31 117.348 132.411 99.838 144 1HD PRO 31 1HD PRO 31 115.337 130.792 101.208 145 2HD PRO 31 2HD PRO 31 115.940 132.396 101.663 146 H ARG 32 H ARG 32 115.130 134.620 96.984 147 HA ARG 32 HA ARG 32 112.499 135.757 97.063 148 1HB ARG 32 1HB ARG 32 114.764 135.995 95.032 149 2HB ARG 32 2HB ARG 32 113.361 137.045 95.142 150 1HG ARG 32 1HG ARG 32 115.198 138.116 96.012 151 2HG ARG 32 2HG ARG 32 114.090 137.863 97.360 152 1HD ARG 32 2HD ARG 32 115.637 136.243 98.334 153 2HD ARG 32 1HD ARG 32 116.511 136.088 96.796 154 HE ARG 32 HE ARG 32 117.778 137.877 97.270 155 1HH1 ARG 32 2HH2 ARG 32 115.010 137.974 99.506 156 2HH1 ARG 32 1HH2 ARG 32 115.677 139.275 100.455 157 1HH2 ARG 32 2HH1 ARG 32 118.623 139.577 98.524 158 2HH2 ARG 32 1HH1 ARG 32 117.734 140.191 99.892 159 H LYS 33 H LYS 33 111.256 136.035 95.117 160 HA LYS 33 HA LYS 33 110.625 133.396 93.968 161 1HB LYS 33 1HB LYS 33 108.409 134.281 93.617 162 2HB LYS 33 2HB LYS 33 108.941 134.470 95.286 163 1HG LYS 33 1HG LYS 33 109.453 136.915 94.731 164 2HG LYS 33 2HG LYS 33 108.677 136.631 93.157 165 1HD LYS 33 1HD LYS 33 106.624 135.819 94.420 166 2HD LYS 33 2HD LYS 33 107.446 136.262 95.931 167 1HE LYS 33 2HE LYS 33 107.644 138.617 95.030 168 2HE LYS 33 1HE LYS 33 106.615 138.120 93.665 169 1HZ LYS 33 1HZ LYS 33 104.936 137.552 95.332 170 2HZ LYS 33 2HZ LYS 33 105.939 138.137 96.516 171 3HZ LYS 33 3HZ LYS 33 105.349 139.151 95.362 172 H LYS 34 H LYS 34 109.641 133.366 91.819 173 HA LYS 34 HA LYS 34 111.644 134.359 89.972 174 1HB LYS 34 1HB LYS 34 110.854 132.644 88.485 175 2HB LYS 34 2HB LYS 34 111.041 132.018 90.130 176 1HG LYS 34 2HG LYS 34 109.125 130.987 89.619 177 2HG LYS 34 1HG LYS 34 108.423 132.456 90.280 178 1HD LYS 34 1HD LYS 34 108.246 133.311 87.858 179 2HD LYS 34 2HD LYS 34 108.880 131.744 87.333 180 1HE LYS 34 1HE LYS 34 106.962 130.593 88.401 181 2HE LYS 34 2HE LYS 34 106.360 132.144 89.004 182 1HZ LYS 34 1HZ LYS 34 106.543 131.300 86.198 183 2HZ LYS 34 2HZ LYS 34 105.186 131.565 87.110 184 3HZ LYS 34 3HZ LYS 34 106.145 132.831 86.670 185 H GLY 35 H GLY 35 108.413 134.463 90.335 186 1HA GLY 35 1HA GLY 35 107.455 135.991 88.087 187 2HA GLY 35 2HA GLY 35 106.625 135.900 89.646 188 H CYS 36 H CYS 36 106.263 138.175 88.585 189 HA CYS 36 HA CYS 36 108.184 140.219 89.012 190 1HB CYS 36 1HB CYS 36 105.775 140.539 87.943 191 2HB CYS 36 2HB CYS 36 105.226 140.721 89.428 192 H TRP 37 H TRP 37 109.120 140.796 90.845 193 HA TRP 37 HA TRP 37 108.503 139.657 93.330 194 1HB TRP 37 1HB TRP 37 110.668 140.675 92.352 195 2HB TRP 37 2HB TRP 37 110.107 142.201 93.023 196 HD1 TRP 37 HD1 TRP 37 111.439 138.777 93.784 197 HE1 TRP 37 HE1 TRP 37 112.290 138.635 96.249 198 HE3 TRP 37 HE3 TRP 37 109.635 143.228 95.554 199 HZ2 TRP 37 HZ2 TRP 37 112.201 140.253 98.601 200 HZ3 TRP 37 HZ3 TRP 37 110.080 143.924 97.883 201 HH2 TRP 37 HH2 TRP 37 111.376 142.456 99.410 202 H LYS 38 H LYS 38 107.331 142.507 91.708 203 HA LYS 38 HA LYS 38 106.315 143.781 94.173 204 1HB LYS 38 2HB LYS 38 107.970 144.840 92.606 205 2HB LYS 38 1HB LYS 38 106.761 144.883 91.346 206 1HG LYS 38 2HG LYS 38 106.333 146.135 94.081 207 2HG LYS 38 1HG LYS 38 107.179 146.931 92.740 208 1HD LYS 38 1HD LYS 38 105.180 146.958 91.363 209 2HD LYS 38 2HD LYS 38 104.276 146.026 92.560 210 1HE LYS 38 1HE LYS 38 103.637 148.326 92.738 211 2HE LYS 38 2HE LYS 38 104.468 147.810 94.215 212 1HZ LYS 38 1HZ LYS 38 105.182 149.966 93.461 213 2HZ LYS 38 2HZ LYS 38 106.439 148.905 93.402 214 3HZ LYS 38 3HZ LYS 38 105.679 149.352 92.015 215 H CYS 39 H CYS 39 105.408 143.240 90.706 216 HA CYS 39 HA CYS 39 102.770 144.346 91.331 217 1HB CYS 39 2HB CYS 39 102.796 145.091 89.275 218 2HB CYS 39 1HB CYS 39 104.430 144.543 89.170 219 H GLY 40 H GLY 40 104.138 141.161 91.051 220 1HA GLY 40 1HA GLY 40 103.095 139.423 92.188 221 2HA GLY 40 2HA GLY 40 101.506 140.147 91.973 222 H LYS 41 H LYS 41 102.353 140.407 88.892 223 HA LYS 41 HA LYS 41 101.298 137.789 88.127 224 1HB LYS 41 1HB LYS 41 100.766 139.701 86.812 225 2HB LYS 41 2HB LYS 41 102.477 140.037 86.498 226 1HG LYS 41 2HG LYS 41 102.664 138.152 85.068 227 2HG LYS 41 1HG LYS 41 101.142 137.453 85.668 228 1HD LYS 41 2HD LYS 41 101.239 140.056 84.103 229 2HD LYS 41 1HD LYS 41 101.115 138.463 83.338 230 1HE LYS 41 1HE LYS 41 99.047 137.986 84.649 231 2HE LYS 41 2HE LYS 41 99.108 139.624 85.327 232 1HZ LYS 41 1HZ LYS 41 97.652 139.492 83.471 233 2HZ LYS 41 2HZ LYS 41 98.855 138.958 82.483 234 3HZ LYS 41 3HZ LYS 41 98.918 140.482 83.111 235 H GLU 42 H GLU 42 102.498 136.470 86.750 236 HA GLU 42 HA GLU 42 105.395 136.267 87.476 237 1HB GLU 42 1HB GLU 42 105.196 134.035 88.246 238 2HB GLU 42 2HB GLU 42 104.035 135.025 89.127 239 1HG GLU 42 2HG GLU 42 102.208 134.244 87.739 240 2HG GLU 42 1HG GLU 42 103.296 133.331 86.687 241 H GLY 43 H GLY 43 103.220 136.099 84.927 242 1HA GLY 43 1HA GLY 43 104.474 134.253 83.171 243 2HA GLY 43 2HA GLY 43 103.630 135.743 82.702 244 H HIS 44 H HIS 44 105.164 137.595 84.092 245 HA HIS 44 HA HIS 44 107.861 137.520 82.811 246 1HB HIS 44 1HB HIS 44 107.889 139.925 83.260 247 2HB HIS 44 2HB HIS 44 106.626 139.452 82.171 248 HD1 HIS 44 HD1 HIS 44 104.173 139.991 82.976 249 HD2 HIS 44 HD2 HIS 44 106.965 140.869 85.986 250 HE1 HIS 44 HE1 HIS 44 103.110 141.415 84.781 251 H GLN 45 H GLN 45 109.542 138.583 84.108 252 HA GLN 45 HA GLN 45 109.400 137.779 86.981 253 1HB GLN 45 1HB GLN 45 111.773 137.606 86.972 254 2HB GLN 45 2HB GLN 45 111.215 136.804 85.513 255 1HG GLN 45 2HG GLN 45 111.542 139.210 84.461 256 2HG GLN 45 1HG GLN 45 112.572 139.452 85.816 257 1HE2 GLN 45 2HE2 GLN 45 112.207 137.839 82.750 258 2HE2 GLN 45 1HE2 GLN 45 113.804 137.115 82.683 259 H MET 46 H MET 46 111.244 139.279 88.030 260 HA MET 46 HA MET 46 109.759 141.725 88.507 261 1HB MET 46 2HB MET 46 111.277 141.913 90.441 262 2HB MET 46 1HB MET 46 110.902 140.212 90.185 263 1HG MET 46 1HG MET 46 113.047 139.927 88.954 264 2HG MET 46 2HG MET 46 113.497 141.569 89.429 265 1HE MET 46 1HE MET 46 112.715 141.999 92.351 266 2HE MET 46 2HE MET 46 114.067 141.274 93.245 267 3HE MET 46 3HE MET 46 114.382 142.226 91.777 268 H LYS 47 H LYS 47 112.882 140.982 87.034 269 HA LYS 47 HA LYS 47 113.756 143.571 86.405 270 1HB LYS 47 1HB LYS 47 114.142 141.218 84.513 271 2HB LYS 47 2HB LYS 47 115.228 142.559 84.872 272 1HG LYS 47 1HG LYS 47 115.451 141.512 87.227 273 2HG LYS 47 2HG LYS 47 114.607 140.107 86.574 274 1HD LYS 47 1HD LYS 47 116.274 139.928 84.746 275 2HD LYS 47 2HD LYS 47 117.203 141.247 85.489 276 1HE LYS 47 1HE LYS 47 117.482 139.900 87.549 277 2HE LYS 47 2HE LYS 47 116.500 138.598 86.846 278 1HZ LYS 47 1HZ LYS 47 119.064 139.555 85.785 279 2HZ LYS 47 2HZ LYS 47 118.824 138.161 86.630 280 3HZ LYS 47 3HZ LYS 47 118.142 138.349 85.142 281 H ASP 48 H ASP 48 111.886 141.288 84.480 282 HA ASP 48 HA ASP 48 111.512 142.674 82.108 283 1HB ASP 48 2HB ASP 48 109.860 140.669 83.649 284 2HB ASP 48 1HB ASP 48 109.314 141.226 82.077 285 H CYS 49 H CYS 49 109.487 142.819 85.075 286 HA CYS 49 HA CYS 49 107.235 143.816 83.900 287 1HB CYS 49 1HB CYS 49 107.372 142.923 86.098 288 2HB CYS 49 2HB CYS 49 108.117 144.287 86.741 289 H THR 50 H THR 50 106.394 145.777 83.476 290 HA THR 50 HA THR 50 107.871 148.046 82.796 291 HB THR 50 HB THR 50 104.911 147.897 83.489 292 HG1 THR 50 HG1 THR 50 106.271 147.221 81.100 293 1HG2 THR 50 1HG2 THR 50 106.448 149.633 81.502 294 2HG2 THR 50 2HG2 THR 50 104.681 149.530 81.620 295 3HG2 THR 50 3HG2 THR 50 105.612 150.199 82.965 296 H GLU 51 H GLU 51 106.915 147.046 85.934 297 HA GLU 51 HA GLU 51 106.683 149.545 87.322 298 1HB GLU 51 2HB GLU 51 105.838 147.873 88.592 299 2HB GLU 51 1HB GLU 51 106.909 146.641 87.986 300 1HG GLU 51 2HG GLU 51 107.393 146.897 90.266 301 2HG GLU 51 1HG GLU 51 108.765 147.531 89.376 302 H ARG 52 H ARG 52 109.413 147.424 86.305 303 HA ARG 52 HA ARG 52 111.381 149.427 87.183 304 1HB ARG 52 1HB ARG 52 111.556 146.758 85.734 305 2HB ARG 52 2HB ARG 52 112.948 147.747 86.142 306 1HG ARG 52 2HG ARG 52 111.012 146.748 88.278 307 2HG ARG 52 1HG ARG 52 112.292 145.756 87.620 308 1HD ARG 52 1HD ARG 52 113.147 146.758 89.653 309 2HD ARG 52 2HD ARG 52 113.998 147.457 88.278 310 HE ARG 52 HE ARG 52 113.122 149.523 88.756 311 1HH1 ARG 52 2HH2 ARG 52 111.286 147.100 90.621 312 2HH1 ARG 52 1HH2 ARG 52 110.106 148.282 91.162 313 1HH2 ARG 52 2HH1 ARG 52 111.532 151.028 89.553 314 2HH2 ARG 52 1HH1 ARG 52 110.242 150.428 90.576 315 H GLN 53 H GLN 53 110.304 147.890 84.157 316 HA GLN 53 HA GLN 53 111.852 149.828 82.581 317 1HB GLN 53 1HB GLN 53 110.351 147.279 81.855 318 2HB GLN 53 2HB GLN 53 111.360 148.249 80.771 319 1HG GLN 53 1HG GLN 53 113.291 147.912 82.374 320 2HG GLN 53 2HG GLN 53 112.284 146.753 83.256 321 1HE2 GLN 53 2HE2 GLN 53 111.118 145.114 81.545 322 2HE2 GLN 53 1HE2 GLN 53 112.260 144.377 80.441 Start of MODEL 5 1 1H ASN 12 1H ASN 12 97.048 143.267 104.300 2 2H ASN 12 2H ASN 12 95.857 142.420 105.069 3 3H ASN 12 3H ASN 12 96.960 141.643 104.103 4 HA ASN 12 HA ASN 12 97.612 143.073 106.525 5 1HB ASN 12 1HB ASN 12 97.876 141.100 107.758 6 2HB ASN 12 2HB ASN 12 96.261 141.077 107.037 7 1HD2 ASN 12 2HD2 ASN 12 96.149 140.013 104.792 8 2HD2 ASN 12 1HD2 ASN 12 97.354 138.826 104.386 9 H VAL 13 H VAL 13 99.796 142.163 107.388 10 HA VAL 13 HA VAL 13 101.921 142.789 105.693 11 HB VAL 13 HB VAL 13 102.436 142.714 107.970 12 1HG1 VAL 13 1HG2 VAL 13 100.702 141.326 108.902 13 2HG1 VAL 13 2HG2 VAL 13 102.256 140.624 109.365 14 3HG1 VAL 13 3HG2 VAL 13 101.315 139.892 108.052 15 1HG2 VAL 13 1HG1 VAL 13 104.298 141.167 108.225 16 2HG2 VAL 13 2HG1 VAL 13 104.270 141.695 106.534 17 3HG2 VAL 13 3HG1 VAL 13 103.663 140.091 106.988 18 H LYS 14 H LYS 14 103.003 141.785 104.119 19 HA LYS 14 HA LYS 14 103.070 138.925 104.088 20 1HB LYS 14 2HB LYS 14 102.340 138.400 101.964 21 2HB LYS 14 1HB LYS 14 101.110 139.461 102.573 22 1HG LYS 14 2HG LYS 14 103.313 140.133 100.583 23 2HG LYS 14 1HG LYS 14 101.607 139.876 100.259 24 1HD LYS 14 2HD LYS 14 101.046 141.904 101.616 25 2HD LYS 14 1HD LYS 14 102.781 142.165 101.917 26 1HE LYS 14 1HE LYS 14 103.188 142.335 99.474 27 2HE LYS 14 2HE LYS 14 101.447 142.155 99.180 28 1HZ LYS 14 1HZ LYS 14 102.123 144.433 99.172 29 2HZ LYS 14 2HZ LYS 14 102.724 144.318 100.702 30 3HZ LYS 14 3HZ LYS 14 101.103 144.160 100.438 31 H CYS 15 H CYS 15 104.371 138.148 102.245 32 HA CYS 15 HA CYS 15 106.975 139.532 102.412 33 1HB CYS 15 1HB CYS 15 106.655 137.308 103.456 34 2HB CYS 15 2HB CYS 15 106.109 136.640 101.993 35 H PHE 16 H PHE 16 108.211 139.868 100.617 36 HA PHE 16 HA PHE 16 106.805 139.959 97.984 37 1HB PHE 16 2HB PHE 16 109.318 141.276 99.048 38 2HB PHE 16 1HB PHE 16 108.648 141.461 97.440 39 HD1 PHE 16 HD1 PHE 16 106.514 142.720 97.099 40 HD2 PHE 16 HD2 PHE 16 108.274 142.321 101.016 41 HE1 PHE 16 HE1 PHE 16 105.056 144.539 97.943 42 HE2 PHE 16 HE2 PHE 16 106.785 144.110 101.865 43 HZ PHE 16 HZ PHE 16 105.193 145.240 100.329 44 H ASN 17 H ASN 17 109.598 138.816 99.648 45 HA ASN 17 HA ASN 17 111.181 137.566 97.682 46 1HB ASN 17 1HB ASN 17 111.970 138.084 99.928 47 2HB ASN 17 2HB ASN 17 110.689 137.156 100.641 48 1HD2 ASN 17 1HD2 ASN 17 110.626 134.747 99.865 49 2HD2 ASN 17 2HD2 ASN 17 112.143 133.975 100.212 50 H CYS 18 H CYS 18 108.362 136.370 99.539 51 HA CYS 18 HA CYS 18 108.118 134.066 97.681 52 1HB CYS 18 1HB CYS 18 107.702 132.501 99.237 53 2HB CYS 18 2HB CYS 18 109.200 133.264 99.732 54 H GLY 19 H GLY 19 106.471 136.234 100.069 55 1HA GLY 19 1HA GLY 19 104.219 136.838 100.341 56 2HA GLY 19 2HA GLY 19 104.010 136.390 98.647 57 H LYS 20 H LYS 20 104.733 134.801 101.737 58 HA LYS 20 HA LYS 20 102.463 132.936 101.377 59 1HB LYS 20 1HB LYS 20 104.729 133.176 103.366 60 2HB LYS 20 2HB LYS 20 103.391 132.130 103.743 61 1HG LYS 20 1HG LYS 20 104.280 131.409 101.091 62 2HG LYS 20 2HG LYS 20 105.686 131.700 102.105 63 1HD LYS 20 2HD LYS 20 105.278 129.434 102.439 64 2HD LYS 20 1HD LYS 20 104.564 130.154 103.872 65 1HE LYS 20 2HE LYS 20 103.048 129.317 101.338 66 2HE LYS 20 1HE LYS 20 103.111 128.399 102.848 67 1HZ LYS 20 1HZ LYS 20 101.107 129.641 102.681 68 2HZ LYS 20 2HZ LYS 20 102.002 130.213 103.938 69 3HZ LYS 20 3HZ LYS 20 101.917 131.064 102.532 70 H GLU 21 H GLU 21 103.131 135.515 102.665 71 HA GLU 21 HA GLU 21 102.288 137.164 103.835 72 1HB GLU 21 2HB GLU 21 99.901 135.573 104.555 73 2HB GLU 21 1HB GLU 21 100.049 137.312 104.731 74 1HG GLU 21 1HG GLU 21 100.257 137.571 102.298 75 2HG GLU 21 2HG GLU 21 100.271 135.858 102.110 76 H GLY 22 H GLY 22 101.607 137.769 106.098 77 1HA GLY 22 1HA GLY 22 101.755 137.677 108.414 78 2HA GLY 22 2HA GLY 22 102.010 135.940 108.314 79 H HIS 23 H HIS 23 104.166 137.739 106.365 80 HA HIS 23 HA HIS 23 106.055 138.572 108.302 81 1HB HIS 23 1HB HIS 23 107.878 137.089 107.895 82 2HB HIS 23 2HB HIS 23 106.623 136.137 108.535 83 HD1 HIS 23 HD1 HIS 23 105.310 134.543 106.550 84 HD2 HIS 23 HD2 HIS 23 108.932 136.334 105.652 85 HE1 HIS 23 HE1 HIS 23 106.386 133.260 104.640 86 H THR 24 H THR 24 108.192 139.036 107.096 87 HA THR 24 HA THR 24 107.496 140.252 104.442 88 HB THR 24 HB THR 24 109.122 142.021 105.020 89 HG1 THR 24 HG1 THR 24 109.333 140.808 107.566 90 1HG2 THR 24 1HG2 THR 24 107.171 141.634 107.316 91 2HG2 THR 24 2HG2 THR 24 106.785 142.346 105.727 92 3HG2 THR 24 3HG2 THR 24 107.956 143.144 106.804 93 H ALA 25 H ALA 25 109.356 140.764 103.084 94 HA ALA 25 HA ALA 25 111.051 138.570 102.456 95 1HB ALA 25 1HB ALA 25 110.455 140.291 100.831 96 2HB ALA 25 2HB ALA 25 112.219 140.241 101.036 97 3HB ALA 25 3HB ALA 25 111.272 141.535 101.797 98 H ARG 26 H ARG 26 111.346 141.027 104.955 99 HA ARG 26 HA ARG 26 114.242 140.890 105.203 100 1HB ARG 26 2HB ARG 26 112.201 141.654 107.329 101 2HB ARG 26 1HB ARG 26 113.901 142.104 107.256 102 1HG ARG 26 1HG ARG 26 111.731 143.028 105.300 103 2HG ARG 26 2HG ARG 26 112.336 143.920 106.684 104 1HD ARG 26 2HD ARG 26 114.604 143.974 105.725 105 2HD ARG 26 1HD ARG 26 114.077 143.040 104.324 106 HE ARG 26 HE ARG 26 113.670 145.872 104.865 107 1HH1 ARG 26 1HH1 ARG 26 112.418 143.107 103.026 108 2HH1 ARG 26 2HH1 ARG 26 111.684 144.098 101.791 109 1HH2 ARG 26 2HH2 ARG 26 112.700 147.160 103.244 110 2HH2 ARG 26 1HH2 ARG 26 111.842 146.416 101.921 111 H ASN 27 H ASN 27 111.423 139.476 106.832 112 HA ASN 27 HA ASN 27 112.887 137.893 108.728 113 1HB ASN 27 2HB ASN 27 110.050 137.567 107.699 114 2HB ASN 27 1HB ASN 27 110.695 136.890 109.200 115 1HD2 ASN 27 1HD2 ASN 27 108.432 138.217 109.517 116 2HD2 ASN 27 2HD2 ASN 27 108.673 139.820 110.167 117 H CYS 28 H CYS 28 111.522 137.308 105.537 118 HA CYS 28 HA CYS 28 111.251 134.552 105.544 119 1HB CYS 28 1HB CYS 28 110.418 136.246 103.813 120 2HB CYS 28 2HB CYS 28 111.974 136.191 103.125 121 H ARG 29 H ARG 29 112.445 132.865 105.389 122 HA ARG 29 HA ARG 29 115.089 132.974 104.077 123 1HB ARG 29 2HB ARG 29 115.207 132.737 106.600 124 2HB ARG 29 1HB ARG 29 114.393 131.165 106.440 125 1HG ARG 29 1HG ARG 29 116.204 130.415 104.905 126 2HG ARG 29 2HG ARG 29 116.905 132.037 104.970 127 1HD ARG 29 1HD ARG 29 117.329 131.757 107.406 128 2HD ARG 29 2HD ARG 29 116.584 130.142 107.347 129 HE ARG 29 HE ARG 29 118.672 130.256 105.426 130 1HH1 ARG 29 1HH1 ARG 29 118.255 130.232 108.949 131 2HH1 ARG 29 2HH1 ARG 29 119.796 129.477 109.259 132 1HH2 ARG 29 1HH2 ARG 29 120.698 129.264 105.840 133 2HH2 ARG 29 2HH2 ARG 29 121.194 128.925 107.477 134 H ALA 30 H ALA 30 113.079 132.774 102.613 135 HA ALA 30 HA ALA 30 112.995 129.899 101.729 136 1HB ALA 30 1HB ALA 30 110.768 131.918 101.188 137 2HB ALA 30 2HB ALA 30 110.739 130.187 100.878 138 3HB ALA 30 3HB ALA 30 110.705 130.779 102.550 139 HA PRO 31 HA PRO 31 115.520 133.599 99.493 140 1HB PRO 31 2HB PRO 31 115.383 131.043 97.894 141 2HB PRO 31 1HB PRO 31 116.640 132.321 97.783 142 1HG PRO 31 1HG PRO 31 116.888 130.243 99.576 143 2HG PRO 31 2HG PRO 31 117.427 131.895 99.980 144 1HD PRO 31 1HD PRO 31 115.242 130.404 101.171 145 2HD PRO 31 2HD PRO 31 115.851 131.996 101.649 146 H ARG 32 H ARG 32 115.487 134.476 97.132 147 HA ARG 32 HA ARG 32 112.771 135.521 97.112 148 1HB ARG 32 1HB ARG 32 115.156 136.270 95.385 149 2HB ARG 32 2HB ARG 32 113.624 137.115 95.463 150 1HG ARG 32 2HG ARG 32 115.048 138.393 96.746 151 2HG ARG 32 1HG ARG 32 113.996 137.573 97.902 152 1HD ARG 32 2HD ARG 32 115.802 136.135 98.634 153 2HD ARG 32 1HD ARG 32 116.758 136.521 97.198 154 HE ARG 32 HE ARG 32 117.569 138.388 98.170 155 1HH1 ARG 32 2HH2 ARG 32 114.781 137.360 100.129 156 2HH1 ARG 32 1HH2 ARG 32 115.077 138.534 101.383 157 1HH2 ARG 32 2HH1 ARG 32 117.941 139.906 99.823 158 2HH2 ARG 32 1HH1 ARG 32 116.883 139.979 101.207 159 H LYS 33 H LYS 33 111.623 135.892 95.209 160 HA LYS 33 HA LYS 33 111.244 133.368 93.792 161 1HB LYS 33 1HB LYS 33 109.036 134.243 93.250 162 2HB LYS 33 2HB LYS 33 109.383 134.288 94.974 163 1HG LYS 33 1HG LYS 33 109.680 136.703 94.914 164 2HG LYS 33 2HG LYS 33 109.663 136.720 93.145 165 1HD LYS 33 1HD LYS 33 107.536 137.494 94.115 166 2HD LYS 33 2HD LYS 33 107.329 136.080 93.070 167 1HE LYS 33 1HE LYS 33 107.116 134.618 95.041 168 2HE LYS 33 2HE LYS 33 107.519 135.978 96.111 169 1HZ LYS 33 1HZ LYS 33 105.201 135.538 96.043 170 2HZ LYS 33 2HZ LYS 33 105.505 137.037 95.417 171 3HZ LYS 33 3HZ LYS 33 105.136 135.781 94.411 172 H LYS 34 H LYS 34 110.546 133.289 91.647 173 HA LYS 34 HA LYS 34 112.482 134.564 89.913 174 1HB LYS 34 1HB LYS 34 110.491 132.395 89.206 175 2HB LYS 34 2HB LYS 34 112.050 132.728 88.462 176 1HG LYS 34 1HG LYS 34 111.448 131.519 91.201 177 2HG LYS 34 2HG LYS 34 112.205 130.733 89.836 178 1HD LYS 34 1HD LYS 34 114.240 132.107 90.107 179 2HD LYS 34 2HD LYS 34 113.468 133.045 91.391 180 1HE LYS 34 2HE LYS 34 113.135 130.785 92.624 181 2HE LYS 34 1HE LYS 34 114.352 130.159 91.497 182 1HZ LYS 34 1HZ LYS 34 114.636 132.414 93.375 183 2HZ LYS 34 2HZ LYS 34 115.801 131.944 92.300 184 3HZ LYS 34 3HZ LYS 34 115.333 130.931 93.513 185 H GLY 35 H GLY 35 109.246 134.130 90.166 186 1HA GLY 35 1HA GLY 35 108.057 135.757 88.078 187 2HA GLY 35 2HA GLY 35 107.295 135.353 89.614 188 H CYS 36 H CYS 36 106.644 137.698 88.904 189 HA CYS 36 HA CYS 36 108.357 139.863 89.454 190 1HB CYS 36 2HB CYS 36 105.822 139.917 88.540 191 2HB CYS 36 1HB CYS 36 105.431 140.103 90.121 192 H TRP 37 H TRP 37 109.282 140.495 91.248 193 HA TRP 37 HA TRP 37 108.858 139.423 93.846 194 1HB TRP 37 2HB TRP 37 110.876 140.603 92.668 195 2HB TRP 37 1HB TRP 37 110.166 142.096 93.278 196 HD1 TRP 37 HD1 TRP 37 111.753 138.820 94.207 197 HE1 TRP 37 HE1 TRP 37 112.736 138.916 96.635 198 HE3 TRP 37 HE3 TRP 37 110.023 143.410 95.606 199 HZ2 TRP 37 HZ2 TRP 37 112.721 140.736 98.823 200 HZ3 TRP 37 HZ3 TRP 37 110.565 144.334 97.844 201 HH2 TRP 37 HH2 TRP 37 111.912 143.012 99.458 202 H LYS 38 H LYS 38 107.447 142.101 92.086 203 HA LYS 38 HA LYS 38 106.489 143.502 94.490 204 1HB LYS 38 2HB LYS 38 107.779 144.534 92.676 205 2HB LYS 38 1HB LYS 38 106.505 144.231 91.521 206 1HG LYS 38 2HG LYS 38 106.106 145.909 94.039 207 2HG LYS 38 1HG LYS 38 106.716 146.542 92.502 208 1HD LYS 38 2HD LYS 38 104.607 145.665 91.386 209 2HD LYS 38 1HD LYS 38 103.956 145.381 93.015 210 1HE LYS 38 1HE LYS 38 104.307 147.788 93.547 211 2HE LYS 38 2HE LYS 38 104.887 148.059 91.896 212 1HZ LYS 38 1HZ LYS 38 102.208 147.135 92.685 213 2HZ LYS 38 2HZ LYS 38 102.712 147.256 91.127 214 3HZ LYS 38 3HZ LYS 38 102.596 148.609 92.064 215 H CYS 39 H CYS 39 105.202 142.468 91.261 216 HA CYS 39 HA CYS 39 102.516 143.163 92.280 217 1HB CYS 39 1HB CYS 39 101.923 143.710 90.227 218 2HB CYS 39 2HB CYS 39 103.638 143.964 90.067 219 H GLY 40 H GLY 40 104.416 140.314 91.819 220 1HA GLY 40 1HA GLY 40 103.833 138.343 92.877 221 2HA GLY 40 2HA GLY 40 102.134 138.811 92.921 222 H LYS 41 H LYS 41 102.566 139.431 89.809 223 HA LYS 41 HA LYS 41 101.725 136.830 88.823 224 1HB LYS 41 1HB LYS 41 102.690 139.354 87.452 225 2HB LYS 41 2HB LYS 41 102.146 137.921 86.570 226 1HG LYS 41 2HG LYS 41 99.939 138.042 87.501 227 2HG LYS 41 1HG LYS 41 100.422 139.316 88.621 228 1HD LYS 41 2HD LYS 41 99.146 140.295 86.826 229 2HD LYS 41 1HD LYS 41 100.822 140.844 86.673 230 1HE LYS 41 2HE LYS 41 101.212 139.179 84.870 231 2HE LYS 41 1HE LYS 41 99.582 138.523 85.107 232 1HZ LYS 41 1HZ LYS 41 98.699 140.628 84.431 233 2HZ LYS 41 2HZ LYS 41 100.210 141.250 84.218 234 3HZ LYS 41 3HZ LYS 41 99.684 140.014 83.264 235 H GLU 42 H GLU 42 102.940 135.842 87.055 236 HA GLU 42 HA GLU 42 105.900 135.839 87.444 237 1HB GLU 42 2HB GLU 42 105.927 133.394 87.617 238 2HB GLU 42 1HB GLU 42 105.014 134.150 88.932 239 1HG GLU 42 1HG GLU 42 102.904 133.705 87.690 240 2HG GLU 42 2HG GLU 42 103.822 132.843 86.446 241 H GLY 43 H GLY 43 103.470 136.097 85.176 242 1HA GLY 43 1HA GLY 43 104.925 134.849 82.948 243 2HA GLY 43 2HA GLY 43 103.500 135.897 82.876 244 H HIS 44 H HIS 44 106.753 136.150 84.197 245 HA HIS 44 HA HIS 44 108.326 137.764 82.919 246 1HB HIS 44 2HB HIS 44 107.942 140.080 83.555 247 2HB HIS 44 1HB HIS 44 106.733 139.534 82.473 248 HD1 HIS 44 HD1 HIS 44 104.244 139.470 83.551 249 HD2 HIS 44 HD2 HIS 44 107.149 140.702 86.283 250 HE1 HIS 44 HE1 HIS 44 103.128 140.601 85.533 251 H GLN 45 H GLN 45 109.792 139.056 84.353 252 HA GLN 45 HA GLN 45 109.773 137.985 87.155 253 1HB GLN 45 2HB GLN 45 112.169 138.006 87.108 254 2HB GLN 45 1HB GLN 45 111.608 137.192 85.663 255 1HG GLN 45 1HG GLN 45 111.742 139.719 84.716 256 2HG GLN 45 2HG GLN 45 112.941 139.811 85.943 257 1HE2 GLN 45 2HE2 GLN 45 112.166 138.390 82.840 258 2HE2 GLN 45 1HE2 GLN 45 113.731 137.651 82.551 259 H MET 46 H MET 46 111.532 139.506 88.301 260 HA MET 46 HA MET 46 109.907 141.795 88.988 261 1HB MET 46 1HB MET 46 111.437 141.964 90.872 262 2HB MET 46 2HB MET 46 111.239 140.252 90.514 263 1HG MET 46 2HG MET 46 113.374 140.258 89.256 264 2HG MET 46 1HG MET 46 113.623 141.952 89.699 265 1HE MET 46 1HE MET 46 114.365 141.817 93.497 266 2HE MET 46 2HE MET 46 114.344 142.816 92.027 267 3HE MET 46 3HE MET 46 112.821 142.221 92.726 268 H LYS 47 H LYS 47 112.884 141.312 87.176 269 HA LYS 47 HA LYS 47 113.596 144.064 86.863 270 1HB LYS 47 1HB LYS 47 114.151 141.868 84.825 271 2HB LYS 47 2HB LYS 47 115.044 143.363 85.134 272 1HG LYS 47 2HG LYS 47 115.301 142.242 87.570 273 2HG LYS 47 1HG LYS 47 115.046 140.758 86.658 274 1HD LYS 47 2HD LYS 47 117.177 142.884 86.155 275 2HD LYS 47 1HD LYS 47 117.455 141.304 86.889 276 1HE LYS 47 1HE LYS 47 116.505 141.752 84.011 277 2HE LYS 47 2HE LYS 47 118.171 141.442 84.507 278 1HZ LYS 47 1HZ LYS 47 115.924 139.591 84.896 279 2HZ LYS 47 2HZ LYS 47 117.479 139.334 85.374 280 3HZ LYS 47 3HZ LYS 47 117.116 139.464 83.775 281 H ASP 48 H ASP 48 111.775 141.815 84.847 282 HA ASP 48 HA ASP 48 111.213 143.411 82.618 283 1HB ASP 48 1HB ASP 48 109.720 141.156 83.971 284 2HB ASP 48 2HB ASP 48 109.240 141.764 82.390 285 H CYS 49 H CYS 49 109.354 143.049 85.675 286 HA CYS 49 HA CYS 49 106.959 143.961 84.685 287 1HB CYS 49 2HB CYS 49 107.321 142.812 86.774 288 2HB CYS 49 1HB CYS 49 107.821 144.271 87.555 289 H THR 50 H THR 50 106.293 145.958 84.012 290 HA THR 50 HA THR 50 107.803 148.348 84.101 291 HB THR 50 HB THR 50 105.680 149.446 83.403 292 HG1 THR 50 HG1 THR 50 104.573 146.845 83.656 293 1HG2 THR 50 1HG2 THR 50 107.142 148.343 81.738 294 2HG2 THR 50 2HG2 THR 50 105.429 148.237 81.290 295 3HG2 THR 50 3HG2 THR 50 106.258 146.817 81.957 296 H GLU 51 H GLU 51 105.619 146.971 86.461 297 HA GLU 51 HA GLU 51 104.990 149.269 88.023 298 1HB GLU 51 1HB GLU 51 105.240 146.324 88.836 299 2HB GLU 51 2HB GLU 51 104.336 147.566 89.683 300 1HG GLU 51 1HG GLU 51 102.992 147.958 87.672 301 2HG GLU 51 2HG GLU 51 103.705 146.569 86.868 302 H ARG 52 H ARG 52 107.447 146.776 88.181 303 HA ARG 52 HA ARG 52 108.861 147.710 90.490 304 1HB ARG 52 1HB ARG 52 109.475 145.844 88.198 305 2HB ARG 52 2HB ARG 52 110.786 146.323 89.241 306 1HG ARG 52 1HG ARG 52 108.258 145.364 90.544 307 2HG ARG 52 2HG ARG 52 109.249 144.172 89.714 308 1HD ARG 52 2HD ARG 52 109.939 144.195 92.016 309 2HD ARG 52 1HD ARG 52 111.244 144.846 91.048 310 HE ARG 52 HE ARG 52 109.406 146.288 92.904 311 1HH1 ARG 52 1HH1 ARG 52 112.275 146.547 90.788 312 2HH1 ARG 52 2HH1 ARG 52 112.660 148.150 91.348 313 1HH2 ARG 52 2HH2 ARG 52 109.968 148.369 93.610 314 2HH2 ARG 52 1HH2 ARG 52 111.367 149.175 92.952 315 H GLN 53 H GLN 53 109.379 148.246 87.019 316 HA GLN 53 HA GLN 53 111.757 149.761 87.186 317 1HB GLN 53 1HB GLN 53 109.483 149.721 85.169 318 2HB GLN 53 2HB GLN 53 111.020 150.557 84.910 319 1HG GLN 53 2HG GLN 53 112.275 148.501 85.036 320 2HG GLN 53 1HG GLN 53 110.864 147.581 85.545 321 1HE2 GLN 53 2HE2 GLN 53 111.507 146.181 83.709 322 2HE2 GLN 53 1HE2 GLN 53 110.880 146.579 82.122 Start of MODEL 6 1 1H ASN 12 1H ASN 12 96.692 142.424 106.931 2 2H ASN 12 2H ASN 12 95.848 141.824 108.216 3 3H ASN 12 3H ASN 12 97.358 142.451 108.437 4 HA ASN 12 HA ASN 12 97.387 140.051 108.478 5 1HB ASN 12 1HB ASN 12 95.481 139.580 107.247 6 2HB ASN 12 2HB ASN 12 96.298 140.299 105.867 7 1HD2 ASN 12 1HD2 ASN 12 96.537 137.580 108.215 8 2HD2 ASN 12 2HD2 ASN 12 97.359 136.488 107.117 9 H VAL 13 H VAL 13 99.606 140.213 108.727 10 HA VAL 13 HA VAL 13 101.302 141.423 106.702 11 HB VAL 13 HB VAL 13 102.141 141.754 108.835 12 1HG1 VAL 13 1HG2 VAL 13 101.620 138.824 109.434 13 2HG1 VAL 13 2HG2 VAL 13 100.874 140.246 110.204 14 3HG1 VAL 13 3HG2 VAL 13 102.582 139.892 110.474 15 1HG2 VAL 13 1HG1 VAL 13 103.953 140.870 107.270 16 2HG2 VAL 13 2HG1 VAL 13 104.292 140.616 108.986 17 3HG2 VAL 13 3HG1 VAL 13 103.734 139.272 108.006 18 H LYS 14 H LYS 14 102.354 140.498 105.108 19 HA LYS 14 HA LYS 14 103.285 137.820 105.291 20 1HB LYS 14 1HB LYS 14 102.427 136.772 103.466 21 2HB LYS 14 2HB LYS 14 101.037 137.603 103.856 22 1HG LYS 14 1HG LYS 14 102.880 138.376 101.725 23 2HG LYS 14 2HG LYS 14 101.240 137.807 101.577 24 1HD LYS 14 2HD LYS 14 101.791 140.477 102.931 25 2HD LYS 14 1HD LYS 14 101.720 140.307 101.185 26 1HE LYS 14 2HE LYS 14 99.570 141.026 101.986 27 2HE LYS 14 1HE LYS 14 99.439 139.405 101.290 28 1HZ LYS 14 1HZ LYS 14 99.584 140.025 104.168 29 2HZ LYS 14 2HZ LYS 14 98.226 139.640 103.336 30 3HZ LYS 14 3HZ LYS 14 99.404 138.523 103.511 31 H CYS 15 H CYS 15 104.593 137.390 103.449 32 HA CYS 15 HA CYS 15 106.659 139.456 103.444 33 1HB CYS 15 2HB CYS 15 107.164 137.317 104.231 34 2HB CYS 15 1HB CYS 15 106.395 136.480 102.960 35 H PHE 16 H PHE 16 108.029 139.577 101.397 36 HA PHE 16 HA PHE 16 106.260 140.094 99.013 37 1HB PHE 16 1HB PHE 16 108.922 141.377 99.571 38 2HB PHE 16 2HB PHE 16 107.674 141.885 98.449 39 HD1 PHE 16 HD1 PHE 16 105.220 141.915 100.137 40 HD2 PHE 16 HD2 PHE 16 109.242 143.185 101.040 41 HE1 PHE 16 HE1 PHE 16 104.378 143.229 102.054 42 HE2 PHE 16 HE2 PHE 16 108.386 144.506 102.959 43 HZ PHE 16 HZ PHE 16 105.958 144.507 103.484 44 H ASN 17 H ASN 17 109.497 139.285 99.994 45 HA ASN 17 HA ASN 17 110.753 138.050 97.912 46 1HB ASN 17 1HB ASN 17 111.718 138.587 100.113 47 2HB ASN 17 2HB ASN 17 110.638 137.492 100.881 48 1HD2 ASN 17 2HD2 ASN 17 110.732 135.164 100.088 49 2HD2 ASN 17 1HD2 ASN 17 112.334 134.549 100.368 50 H CYS 18 H CYS 18 108.297 136.549 100.003 51 HA CYS 18 HA CYS 18 107.888 134.319 98.081 52 1HB CYS 18 1HB CYS 18 108.163 132.633 99.513 53 2HB CYS 18 2HB CYS 18 109.561 133.630 99.827 54 H GLY 19 H GLY 19 106.378 136.753 99.837 55 1HA GLY 19 1HA GLY 19 104.742 136.835 101.403 56 2HA GLY 19 2HA GLY 19 103.751 136.742 99.997 57 H LYS 20 H LYS 20 105.339 134.799 102.492 58 HA LYS 20 HA LYS 20 102.755 133.340 102.804 59 1HB LYS 20 1HB LYS 20 105.248 132.353 104.169 60 2HB LYS 20 2HB LYS 20 103.729 131.608 103.993 61 1HG LYS 20 1HG LYS 20 103.984 131.615 101.555 62 2HG LYS 20 2HG LYS 20 105.504 132.421 101.743 63 1HD LYS 20 1HD LYS 20 106.585 130.503 102.729 64 2HD LYS 20 2HD LYS 20 105.032 129.698 102.991 65 1HE LYS 20 2HE LYS 20 106.263 128.713 101.066 66 2HE LYS 20 1HE LYS 20 104.704 129.401 100.584 67 1HZ LYS 20 1HZ LYS 20 107.320 130.693 100.252 68 2HZ LYS 20 2HZ LYS 20 106.424 129.991 99.062 69 3HZ LYS 20 3HZ LYS 20 105.872 131.349 99.812 70 H GLU 21 H GLU 21 101.915 133.552 104.629 71 HA GLU 21 HA GLU 21 102.128 136.163 105.675 72 1HB GLU 21 1HB GLU 21 100.455 133.853 106.501 73 2HB GLU 21 2HB GLU 21 100.211 135.474 107.190 74 1HG GLU 21 2HG GLU 21 99.737 136.360 104.996 75 2HG GLU 21 1HG GLU 21 100.093 134.822 104.221 76 H GLY 22 H GLY 22 102.023 136.712 107.888 77 1HA GLY 22 1HA GLY 22 102.707 136.855 110.097 78 2HA GLY 22 2HA GLY 22 103.097 135.137 110.059 79 H HIS 23 H HIS 23 104.558 137.085 107.585 80 HA HIS 23 HA HIS 23 106.713 138.083 109.152 81 1HB HIS 23 2HB HIS 23 108.559 136.858 108.399 82 2HB HIS 23 1HB HIS 23 107.528 135.702 109.098 83 HD1 HIS 23 HD1 HIS 23 105.956 134.353 107.007 84 HD2 HIS 23 HD2 HIS 23 109.480 136.310 106.029 85 HE1 HIS 23 HE1 HIS 23 106.711 133.515 104.753 86 H THR 24 H THR 24 108.408 138.994 107.862 87 HA THR 24 HA THR 24 107.358 140.251 105.361 88 HB THR 24 HB THR 24 108.914 142.109 105.922 89 HG1 THR 24 HG1 THR 24 109.932 141.960 108.028 90 1HG2 THR 24 1HG2 THR 24 107.243 141.372 108.352 91 2HG2 THR 24 2HG2 THR 24 107.828 142.985 107.888 92 3HG2 THR 24 3HG2 THR 24 106.628 142.154 106.871 93 H ALA 25 H ALA 25 109.033 140.954 103.823 94 HA ALA 25 HA ALA 25 110.841 138.922 102.967 95 1HB ALA 25 1HB ALA 25 110.827 141.903 102.373 96 2HB ALA 25 2HB ALA 25 111.696 140.661 101.449 97 3HB ALA 25 3HB ALA 25 109.921 140.655 101.493 98 H ARG 26 H ARG 26 111.160 141.368 105.483 99 HA ARG 26 HA ARG 26 114.065 141.502 105.447 100 1HB ARG 26 1HB ARG 26 112.187 142.034 107.782 101 2HB ARG 26 2HB ARG 26 113.821 142.647 107.550 102 1HG ARG 26 1HG ARG 26 111.384 143.383 105.844 103 2HG ARG 26 2HG ARG 26 112.053 144.315 107.172 104 1HD ARG 26 2HD ARG 26 114.194 144.570 105.976 105 2HD ARG 26 1HD ARG 26 113.591 143.619 104.618 106 HE ARG 26 HE ARG 26 113.018 146.397 105.275 107 1HH1 ARG 26 2HH2 ARG 26 111.800 143.571 103.509 108 2HH1 ARG 26 1HH2 ARG 26 110.857 144.520 102.388 109 1HH2 ARG 26 2HH1 ARG 26 111.762 147.627 103.814 110 2HH2 ARG 26 1HH1 ARG 26 110.826 146.838 102.573 111 H ASN 27 H ASN 27 111.580 139.804 107.327 112 HA ASN 27 HA ASN 27 113.407 138.319 108.993 113 1HB ASN 27 1HB ASN 27 110.472 137.909 108.359 114 2HB ASN 27 2HB ASN 27 111.334 137.166 109.719 115 1HD2 ASN 27 1HD2 ASN 27 109.029 138.571 110.221 116 2HD2 ASN 27 2HD2 ASN 27 109.405 140.095 110.998 117 H CYS 28 H CYS 28 111.765 137.707 105.948 118 HA CYS 28 HA CYS 28 111.549 134.973 105.857 119 1HB CYS 28 2HB CYS 28 110.648 136.642 104.130 120 2HB CYS 28 1HB CYS 28 112.229 136.794 103.564 121 H ARG 29 H ARG 29 112.716 133.295 105.592 122 HA ARG 29 HA ARG 29 115.276 133.359 104.111 123 1HB ARG 29 2HB ARG 29 114.823 132.155 106.866 124 2HB ARG 29 1HB ARG 29 116.060 131.514 105.754 125 1HG ARG 29 1HG ARG 29 117.049 133.680 105.451 126 2HG ARG 29 2HG ARG 29 115.831 134.454 106.457 127 1HD ARG 29 1HD ARG 29 117.735 132.302 107.487 128 2HD ARG 29 2HD ARG 29 118.067 134.028 107.627 129 HE ARG 29 HE ARG 29 116.232 132.438 109.217 130 1HH1 ARG 29 2HH2 ARG 29 116.842 135.737 108.042 131 2HH1 ARG 29 1HH2 ARG 29 115.876 136.491 109.281 132 1HH2 ARG 29 1HH1 ARG 29 114.976 133.448 110.843 133 2HH2 ARG 29 2HH1 ARG 29 114.825 135.185 110.887 134 H ALA 30 H ALA 30 113.277 133.152 102.895 135 HA ALA 30 HA ALA 30 112.936 130.257 102.126 136 1HB ALA 30 1HB ALA 30 110.757 131.373 103.047 137 2HB ALA 30 2HB ALA 30 110.641 130.649 101.431 138 3HB ALA 30 3HB ALA 30 110.814 132.385 101.589 139 HA PRO 31 HA PRO 31 115.382 133.760 99.438 140 1HB PRO 31 2HB PRO 31 115.096 131.056 98.115 141 2HB PRO 31 1HB PRO 31 116.334 132.309 97.754 142 1HG PRO 31 1HG PRO 31 116.796 130.441 99.701 143 2HG PRO 31 2HG PRO 31 117.284 132.142 99.934 144 1HD PRO 31 2HD PRO 31 115.192 130.657 101.331 145 2HD PRO 31 1HD PRO 31 115.848 132.251 101.736 146 H ARG 32 H ARG 32 115.176 134.301 96.967 147 HA ARG 32 HA ARG 32 112.531 135.527 97.012 148 1HB ARG 32 2HB ARG 32 114.857 135.840 95.050 149 2HB ARG 32 1HB ARG 32 113.393 136.811 95.087 150 1HG ARG 32 2HG ARG 32 115.017 138.118 96.081 151 2HG ARG 32 1HG ARG 32 113.981 137.581 97.407 152 1HD ARG 32 2HD ARG 32 115.686 136.123 98.267 153 2HD ARG 32 1HD ARG 32 116.543 136.105 96.719 154 HE ARG 32 HE ARG 32 117.662 137.987 97.238 155 1HH1 ARG 32 2HH2 ARG 32 114.983 137.727 99.565 156 2HH1 ARG 32 1HH2 ARG 32 115.575 139.025 100.566 157 1HH2 ARG 32 2HH1 ARG 32 118.410 139.679 98.557 158 2HH2 ARG 32 1HH1 ARG 32 117.525 140.141 99.987 159 H LYS 33 H LYS 33 111.353 135.745 94.945 160 HA LYS 33 HA LYS 33 110.673 133.042 94.090 161 1HB LYS 33 2HB LYS 33 108.558 133.939 93.607 162 2HB LYS 33 1HB LYS 33 109.097 134.754 95.062 163 1HG LYS 33 2HG LYS 33 109.793 136.720 93.600 164 2HG LYS 33 1HG LYS 33 109.139 135.846 92.214 165 1HD LYS 33 1HD LYS 33 107.428 137.302 92.831 166 2HD LYS 33 2HD LYS 33 106.898 135.734 93.428 167 1HE LYS 33 1HE LYS 33 107.455 136.302 95.703 168 2HE LYS 33 2HE LYS 33 108.420 137.698 95.202 169 1HZ LYS 33 1HZ LYS 33 106.444 138.797 94.516 170 2HZ LYS 33 2HZ LYS 33 105.508 137.492 94.918 171 3HZ LYS 33 3HZ LYS 33 106.334 138.323 96.085 172 H LYS 34 H LYS 34 109.645 132.955 91.814 173 HA LYS 34 HA LYS 34 111.836 133.368 89.920 174 1HB LYS 34 1HB LYS 34 109.211 131.868 89.592 175 2HB LYS 34 2HB LYS 34 110.607 131.810 88.504 176 1HG LYS 34 1HG LYS 34 111.963 130.847 90.365 177 2HG LYS 34 2HG LYS 34 110.513 130.815 91.389 178 1HD LYS 34 2HD LYS 34 109.356 129.397 89.691 179 2HD LYS 34 1HD LYS 34 110.849 129.359 88.730 180 1HE LYS 34 1HE LYS 34 112.038 128.284 90.631 181 2HE LYS 34 2HE LYS 34 110.546 128.328 91.591 182 1HZ LYS 34 1HZ LYS 34 110.882 126.206 90.575 183 2HZ LYS 34 2HZ LYS 34 109.528 126.914 89.958 184 3HZ LYS 34 3HZ LYS 34 110.914 126.871 89.067 185 H GLY 35 H GLY 35 108.597 133.880 90.173 186 1HA GLY 35 1HA GLY 35 107.973 135.409 87.801 187 2HA GLY 35 2HA GLY 35 106.959 135.286 89.243 188 H CYS 36 H CYS 36 106.712 137.572 88.241 189 HA CYS 36 HA CYS 36 108.501 139.656 88.894 190 1HB CYS 36 1HB CYS 36 106.188 139.812 87.639 191 2HB CYS 36 2HB CYS 36 105.482 139.944 89.063 192 H TRP 37 H TRP 37 109.325 140.053 90.809 193 HA TRP 37 HA TRP 37 108.603 139.130 93.318 194 1HB TRP 37 1HB TRP 37 110.667 140.443 92.332 195 2HB TRP 37 2HB TRP 37 109.852 141.853 92.999 196 HD1 TRP 37 HD1 TRP 37 111.469 138.538 93.788 197 HE1 TRP 37 HE1 TRP 37 112.394 138.533 96.236 198 HE3 TRP 37 HE3 TRP 37 109.498 142.958 95.425 199 HZ2 TRP 37 HZ2 TRP 37 112.269 140.235 98.533 200 HZ3 TRP 37 HZ3 TRP 37 109.955 143.768 97.719 201 HH2 TRP 37 HH2 TRP 37 111.364 142.432 99.268 202 H LYS 38 H LYS 38 107.381 141.867 91.483 203 HA LYS 38 HA LYS 38 106.079 143.099 93.815 204 1HB LYS 38 1HB LYS 38 107.691 144.238 92.265 205 2HB LYS 38 2HB LYS 38 106.523 144.145 90.971 206 1HG LYS 38 1HG LYS 38 105.862 145.427 93.657 207 2HG LYS 38 2HG LYS 38 106.733 146.251 92.356 208 1HD LYS 38 2HD LYS 38 104.823 145.915 90.816 209 2HD LYS 38 1HD LYS 38 103.907 145.131 92.111 210 1HE LYS 38 2HE LYS 38 103.236 147.461 91.822 211 2HE LYS 38 1HE LYS 38 103.886 147.160 93.443 212 1HZ LYS 38 1HZ LYS 38 105.885 148.201 92.831 213 2HZ LYS 38 2HZ LYS 38 104.673 149.210 92.354 214 3HZ LYS 38 3HZ LYS 38 105.484 148.284 91.246 215 H CYS 39 H CYS 39 105.306 142.414 90.330 216 HA CYS 39 HA CYS 39 102.532 143.138 90.971 217 1HB CYS 39 2HB CYS 39 102.260 143.773 88.898 218 2HB CYS 39 1HB CYS 39 103.999 143.829 88.880 219 H GLY 40 H GLY 40 104.360 140.207 90.698 220 1HA GLY 40 1HA GLY 40 103.606 138.269 91.699 221 2HA GLY 40 2HA GLY 40 101.936 138.817 91.615 222 H LYS 41 H LYS 41 102.803 139.306 88.495 223 HA LYS 41 HA LYS 41 101.837 136.715 87.544 224 1HB LYS 41 2HB LYS 41 103.139 139.068 86.165 225 2HB LYS 41 1HB LYS 41 102.585 137.636 85.296 226 1HG LYS 41 1HG LYS 41 100.322 137.956 85.904 227 2HG LYS 41 2HG LYS 41 100.727 139.221 87.072 228 1HD LYS 41 2HD LYS 41 101.530 140.668 85.204 229 2HD LYS 41 1HD LYS 41 101.077 139.413 84.037 230 1HE LYS 41 1HE LYS 41 99.178 140.878 85.939 231 2HE LYS 41 2HE LYS 41 99.397 141.244 84.220 232 1HZ LYS 41 1HZ LYS 41 98.373 138.717 85.308 233 2HZ LYS 41 2HZ LYS 41 98.611 139.043 83.709 234 3HZ LYS 41 3HZ LYS 41 97.491 139.892 84.568 235 H GLU 42 H GLU 42 103.177 135.505 86.036 236 HA GLU 42 HA GLU 42 106.055 135.371 86.820 237 1HB GLU 42 1HB GLU 42 106.003 132.973 87.036 238 2HB GLU 42 2HB GLU 42 104.844 133.713 88.150 239 1HG GLU 42 1HG GLU 42 103.020 133.240 86.546 240 2HG GLU 42 2HG GLU 42 104.164 132.433 85.462 241 H GLY 43 H GLY 43 103.981 135.711 84.233 242 1HA GLY 43 1HA GLY 43 105.713 134.425 82.238 243 2HA GLY 43 2HA GLY 43 104.352 135.521 81.962 244 H HIS 44 H HIS 44 107.332 135.760 83.838 245 HA HIS 44 HA HIS 44 109.128 137.239 82.652 246 1HB HIS 44 1HB HIS 44 108.749 139.600 83.214 247 2HB HIS 44 2HB HIS 44 107.722 139.050 81.947 248 HD1 HIS 44 HD1 HIS 44 105.107 139.207 82.526 249 HD2 HIS 44 HD2 HIS 44 107.488 140.228 85.803 250 HE1 HIS 44 HE1 HIS 44 103.723 140.453 84.251 251 H GLN 45 H GLN 45 110.517 138.461 84.116 252 HA GLN 45 HA GLN 45 110.251 137.589 86.969 253 1HB GLN 45 1HB GLN 45 112.603 137.723 87.197 254 2HB GLN 45 2HB GLN 45 112.313 136.878 85.686 255 1HG GLN 45 2HG GLN 45 112.482 139.164 84.569 256 2HG GLN 45 1HG GLN 45 113.188 139.743 86.043 257 1HE2 GLN 45 1HE2 GLN 45 114.279 139.238 83.192 258 2HE2 GLN 45 2HE2 GLN 45 115.759 138.345 83.491 259 H MET 46 H MET 46 111.901 139.381 88.115 260 HA MET 46 HA MET 46 109.975 141.526 88.536 261 1HB MET 46 1HB MET 46 111.163 141.843 90.597 262 2HB MET 46 2HB MET 46 111.241 140.123 90.247 263 1HG MET 46 1HG MET 46 113.509 140.327 89.385 264 2HG MET 46 2HG MET 46 113.508 142.063 89.730 265 1HE MET 46 1HE MET 46 113.845 143.139 92.049 266 2HE MET 46 2HE MET 46 113.668 142.262 93.585 267 3HE MET 46 3HE MET 46 112.258 142.500 92.535 268 H LYS 47 H LYS 47 113.262 141.243 87.326 269 HA LYS 47 HA LYS 47 113.869 143.922 86.747 270 1HB LYS 47 2HB LYS 47 114.678 141.637 84.894 271 2HB LYS 47 1HB LYS 47 115.538 143.114 85.318 272 1HG LYS 47 1HG LYS 47 115.791 142.089 87.676 273 2HG LYS 47 2HG LYS 47 115.107 140.615 87.027 274 1HD LYS 47 1HD LYS 47 117.494 140.417 87.058 275 2HD LYS 47 2HD LYS 47 116.847 140.310 85.421 276 1HE LYS 47 2HE LYS 47 118.966 141.593 85.564 277 2HE LYS 47 1HE LYS 47 117.649 142.536 84.870 278 1HZ LYS 47 1HZ LYS 47 118.906 143.780 86.466 279 2HZ LYS 47 2HZ LYS 47 117.362 143.584 87.002 280 3HZ LYS 47 3HZ LYS 47 118.583 142.687 87.655 281 H ASP 48 H ASP 48 112.569 141.431 84.620 282 HA ASP 48 HA ASP 48 112.072 142.754 82.273 283 1HB ASP 48 2HB ASP 48 110.637 140.538 83.747 284 2HB ASP 48 1HB ASP 48 110.113 141.015 82.140 285 H CYS 49 H CYS 49 109.859 142.563 85.114 286 HA CYS 49 HA CYS 49 107.577 143.288 83.806 287 1HB CYS 49 2HB CYS 49 107.666 142.414 85.999 288 2HB CYS 49 1HB CYS 49 108.177 143.923 86.683 289 H THR 50 H THR 50 106.725 145.216 83.110 290 HA THR 50 HA THR 50 108.241 147.736 83.290 291 HB THR 50 HB THR 50 106.470 148.506 81.706 292 HG1 THR 50 HG1 THR 50 104.803 147.176 82.426 293 1HG2 THR 50 1HG2 THR 50 107.757 145.856 80.912 294 2HG2 THR 50 2HG2 THR 50 108.544 147.449 80.856 295 3HG2 THR 50 3HG2 THR 50 107.144 147.112 79.821 296 H GLU 51 H GLU 51 107.541 147.113 85.867 297 HA GLU 51 HA GLU 51 105.087 148.612 86.496 298 1HB GLU 51 1HB GLU 51 105.057 147.351 88.514 299 2HB GLU 51 2HB GLU 51 105.127 146.347 87.118 300 1HG GLU 51 1HG GLU 51 106.535 145.223 88.541 301 2HG GLU 51 2HG GLU 51 107.713 146.143 87.605 302 H ARG 52 H ARG 52 108.509 148.313 87.767 303 HA ARG 52 HA ARG 52 108.157 150.863 89.140 304 1HB ARG 52 1HB ARG 52 110.371 150.353 90.059 305 2HB ARG 52 2HB ARG 52 109.108 149.198 90.405 306 1HG ARG 52 2HG ARG 52 111.040 147.979 90.159 307 2HG ARG 52 1HG ARG 52 110.112 147.617 88.721 308 1HD ARG 52 1HD ARG 52 112.363 149.684 88.809 309 2HD ARG 52 2HD ARG 52 112.666 147.978 88.510 310 HE ARG 52 HE ARG 52 111.562 149.922 86.672 311 1HH1 ARG 52 1HH1 ARG 52 111.646 146.441 87.443 312 2HH1 ARG 52 2HH1 ARG 52 111.127 145.955 85.850 313 1HH2 ARG 52 1HH2 ARG 52 110.865 149.238 84.580 314 2HH2 ARG 52 2HH2 ARG 52 110.603 147.533 84.270 315 H GLN 53 H GLN 53 107.846 151.397 86.508 316 HA GLN 53 HA GLN 53 110.341 152.180 85.237 317 1HB GLN 53 1HB GLN 53 107.411 152.720 84.599 318 2HB GLN 53 2HB GLN 53 108.788 153.134 83.566 319 1HG GLN 53 2HG GLN 53 109.441 150.724 83.490 320 2HG GLN 53 1HG GLN 53 107.993 150.316 84.425 321 1HE2 GLN 53 2HE2 GLN 53 105.883 151.427 83.417 322 2HE2 GLN 53 1HE2 GLN 53 105.719 151.194 81.689 Start of MODEL 7 1 1H ASN 12 1H ASN 12 96.275 140.263 105.618 2 2H ASN 12 2H ASN 12 96.773 138.788 106.114 3 3H ASN 12 3H ASN 12 95.511 139.537 106.888 4 HA ASN 12 HA ASN 12 96.954 141.287 107.609 5 1HB ASN 12 2HB ASN 12 98.135 140.190 109.374 6 2HB ASN 12 1HB ASN 12 96.519 139.520 109.160 7 1HD2 ASN 12 1HD2 ASN 12 96.269 137.544 107.901 8 2HD2 ASN 12 2HD2 ASN 12 97.656 136.591 107.489 9 H VAL 13 H VAL 13 99.418 141.391 108.336 10 HA VAL 13 HA VAL 13 101.186 142.145 106.409 11 HB VAL 13 HB VAL 13 102.064 142.382 108.544 12 1HG1 VAL 13 1HG2 VAL 13 102.304 140.542 110.211 13 2HG1 VAL 13 2HG2 VAL 13 100.621 140.899 109.820 14 3HG1 VAL 13 3HG2 VAL 13 101.418 139.472 109.111 15 1HG2 VAL 13 1HG1 VAL 13 104.125 141.084 108.800 16 2HG2 VAL 13 2HG1 VAL 13 103.901 141.362 107.070 17 3HG2 VAL 13 3HG1 VAL 13 103.524 139.787 107.791 18 H LYS 14 H LYS 14 102.443 141.266 104.853 19 HA LYS 14 HA LYS 14 103.149 138.490 104.980 20 1HB LYS 14 2HB LYS 14 102.348 137.613 103.019 21 2HB LYS 14 1HB LYS 14 101.004 138.520 103.561 22 1HG LYS 14 1HG LYS 14 102.472 140.266 101.944 23 2HG LYS 14 2HG LYS 14 102.505 138.745 101.100 24 1HD LYS 14 2HD LYS 14 100.013 140.216 102.088 25 2HD LYS 14 1HD LYS 14 100.596 140.202 100.421 26 1HE LYS 14 1HE LYS 14 99.559 137.777 101.972 27 2HE LYS 14 2HE LYS 14 98.711 138.667 100.706 28 1HZ LYS 14 1HZ LYS 14 100.455 138.014 99.184 29 2HZ LYS 14 2HZ LYS 14 99.684 136.714 99.838 30 3HZ LYS 14 3HZ LYS 14 101.186 137.118 100.360 31 H CYS 15 H CYS 15 104.484 137.969 103.142 32 HA CYS 15 HA CYS 15 106.758 139.813 103.284 33 1HB CYS 15 2HB CYS 15 106.927 137.596 104.058 34 2HB CYS 15 1HB CYS 15 106.219 136.887 102.688 35 H PHE 16 H PHE 16 108.201 139.685 101.235 36 HA PHE 16 HA PHE 16 106.603 140.187 98.737 37 1HB PHE 16 2HB PHE 16 109.097 141.670 99.630 38 2HB PHE 16 1HB PHE 16 108.134 141.968 98.193 39 HD1 PHE 16 HD1 PHE 16 108.594 142.772 101.688 40 HD2 PHE 16 HD2 PHE 16 105.649 142.672 98.536 41 HE1 PHE 16 HE1 PHE 16 107.080 144.178 103.053 42 HE2 PHE 16 HE2 PHE 16 104.147 144.094 99.905 43 HZ PHE 16 HZ PHE 16 104.850 144.828 102.173 44 H ASN 17 H ASN 17 109.757 139.462 100.078 45 HA ASN 17 HA ASN 17 111.259 138.241 98.145 46 1HB ASN 17 2HB ASN 17 111.928 138.730 100.466 47 2HB ASN 17 1HB ASN 17 110.740 137.621 101.065 48 1HD2 ASN 17 2HD2 ASN 17 110.949 135.286 100.168 49 2HD2 ASN 17 1HD2 ASN 17 112.521 134.664 100.549 50 H CYS 18 H CYS 18 108.595 136.827 99.963 51 HA CYS 18 HA CYS 18 108.226 134.686 97.945 52 1HB CYS 18 2HB CYS 18 107.904 132.990 99.368 53 2HB CYS 18 1HB CYS 18 109.392 133.748 99.917 54 H GLY 19 H GLY 19 106.729 136.784 100.487 55 1HA GLY 19 1HA GLY 19 104.611 137.575 100.782 56 2HA GLY 19 2HA GLY 19 104.270 137.151 99.108 57 H LYS 20 H LYS 20 105.098 135.294 102.039 58 HA LYS 20 HA LYS 20 102.293 134.254 102.170 59 1HB LYS 20 2HB LYS 20 104.525 133.100 103.825 60 2HB LYS 20 1HB LYS 20 102.968 132.475 103.552 61 1HG LYS 20 1HG LYS 20 103.555 132.191 101.133 62 2HG LYS 20 2HG LYS 20 105.064 132.934 101.504 63 1HD LYS 20 1HD LYS 20 105.485 130.536 101.412 64 2HD LYS 20 2HD LYS 20 105.696 131.104 103.062 65 1HE LYS 20 1HE LYS 20 104.479 128.971 103.014 66 2HE LYS 20 2HE LYS 20 103.471 130.247 103.702 67 1HZ LYS 20 1HZ LYS 20 102.284 128.881 102.147 68 2HZ LYS 20 2HZ LYS 20 102.368 130.426 101.587 69 3HZ LYS 20 3HZ LYS 20 103.332 129.258 100.934 70 H GLU 21 H GLU 21 101.355 134.450 104.061 71 HA GLU 21 HA GLU 21 101.772 136.994 105.181 72 1HB GLU 21 1HB GLU 21 99.812 134.837 105.945 73 2HB GLU 21 2HB GLU 21 99.795 136.476 106.628 74 1HG GLU 21 2HG GLU 21 99.501 137.473 104.506 75 2HG GLU 21 1HG GLU 21 99.629 135.933 103.670 76 H GLY 22 H GLY 22 101.608 137.414 107.500 77 1HA GLY 22 1HA GLY 22 102.177 137.331 109.725 78 2HA GLY 22 2HA GLY 22 102.475 135.604 109.564 79 H HIS 23 H HIS 23 104.183 137.545 107.289 80 HA HIS 23 HA HIS 23 106.333 138.318 108.985 81 1HB HIS 23 2HB HIS 23 108.091 136.933 108.311 82 2HB HIS 23 1HB HIS 23 106.921 135.872 108.927 83 HD1 HIS 23 HD1 HIS 23 105.339 134.735 106.677 84 HD2 HIS 23 HD2 HIS 23 109.104 136.347 105.994 85 HE1 HIS 23 HE1 HIS 23 106.234 133.758 104.520 86 H THR 24 H THR 24 108.156 139.106 107.822 87 HA THR 24 HA THR 24 107.356 140.483 105.292 88 HB THR 24 HB THR 24 109.022 142.201 105.973 89 HG1 THR 24 HG1 THR 24 109.950 141.905 108.107 90 1HG2 THR 24 1HG2 THR 24 106.717 142.397 106.856 91 2HG2 THR 24 2HG2 THR 24 107.950 143.104 107.927 92 3HG2 THR 24 3HG2 THR 24 107.226 141.532 108.331 93 H ALA 25 H ALA 25 109.170 141.140 103.901 94 HA ALA 25 HA ALA 25 110.832 139.015 102.984 95 1HB ALA 25 1HB ALA 25 111.034 142.029 102.602 96 2HB ALA 25 2HB ALA 25 111.937 140.819 101.667 97 3HB ALA 25 3HB ALA 25 110.166 140.882 101.562 98 H ARG 26 H ARG 26 111.252 141.299 105.638 99 HA ARG 26 HA ARG 26 114.159 141.109 105.745 100 1HB ARG 26 1HB ARG 26 112.195 141.831 107.959 101 2HB ARG 26 2HB ARG 26 113.913 142.208 107.899 102 1HG ARG 26 2HG ARG 26 111.824 143.309 105.948 103 2HG ARG 26 1HG ARG 26 112.375 144.101 107.415 104 1HD ARG 26 1HD ARG 26 114.668 144.216 106.588 105 2HD ARG 26 2HD ARG 26 114.258 143.303 105.137 106 HE ARG 26 HE ARG 26 113.764 146.120 105.696 107 1HH1 ARG 26 1HH2 ARG 26 112.746 143.368 103.694 108 2HH1 ARG 26 2HH2 ARG 26 112.129 144.372 102.407 109 1HH2 ARG 26 2HH1 ARG 26 112.938 147.422 104.008 110 2HH2 ARG 26 1HH1 ARG 26 112.228 146.688 102.594 111 H ASN 27 H ASN 27 111.393 139.657 107.412 112 HA ASN 27 HA ASN 27 112.918 138.010 109.213 113 1HB ASN 27 1HB ASN 27 110.038 137.865 108.290 114 2HB ASN 27 2HB ASN 27 110.689 137.017 109.705 115 1HD2 ASN 27 1HD2 ASN 27 108.509 138.532 110.147 116 2HD2 ASN 27 2HD2 ASN 27 108.923 140.033 110.949 117 H CYS 28 H CYS 28 111.474 137.526 106.044 118 HA CYS 28 HA CYS 28 111.151 134.796 105.909 119 1HB CYS 28 2HB CYS 28 110.429 136.575 104.205 120 2HB CYS 28 1HB CYS 28 112.021 136.604 103.671 121 H ARG 29 H ARG 29 112.225 133.086 105.382 122 HA ARG 29 HA ARG 29 115.019 133.158 104.441 123 1HB ARG 29 1HB ARG 29 115.636 131.301 105.900 124 2HB ARG 29 2HB ARG 29 115.333 132.844 106.722 125 1HG ARG 29 2HG ARG 29 113.152 132.210 107.378 126 2HG ARG 29 1HG ARG 29 113.190 130.748 106.398 127 1HD ARG 29 2HD ARG 29 114.922 131.319 108.852 128 2HD ARG 29 1HD ARG 29 113.535 130.226 108.832 129 HE ARG 29 HE ARG 29 116.236 129.692 107.959 130 1HH1 ARG 29 1HH2 ARG 29 112.866 128.786 107.296 131 2HH1 ARG 29 2HH2 ARG 29 113.290 127.256 106.574 132 1HH2 ARG 29 1HH1 ARG 29 116.774 127.689 107.009 133 2HH2 ARG 29 2HH1 ARG 29 115.524 126.629 106.415 134 H ALA 30 H ALA 30 112.838 132.989 102.928 135 HA ALA 30 HA ALA 30 112.768 130.165 101.918 136 1HB ALA 30 1HB ALA 30 110.509 130.584 101.090 137 2HB ALA 30 2HB ALA 30 110.620 132.295 101.481 138 3HB ALA 30 3HB ALA 30 110.525 131.098 102.788 139 HA PRO 31 HA PRO 31 115.406 133.802 99.694 140 1HB PRO 31 1HB PRO 31 115.173 131.235 98.126 141 2HB PRO 31 2HB PRO 31 116.470 132.472 97.989 142 1HG PRO 31 2HG PRO 31 116.663 130.405 99.798 143 2HG PRO 31 1HG PRO 31 117.254 132.043 100.190 144 1HD PRO 31 2HD PRO 31 115.018 130.634 101.405 145 2HD PRO 31 1HD PRO 31 115.680 132.208 101.860 146 H ARG 32 H ARG 32 115.418 134.520 97.252 147 HA ARG 32 HA ARG 32 112.846 135.851 97.219 148 1HB ARG 32 2HB ARG 32 115.223 136.118 95.325 149 2HB ARG 32 1HB ARG 32 113.814 137.148 95.349 150 1HG ARG 32 2HG ARG 32 115.416 138.392 96.389 151 2HG ARG 32 1HG ARG 32 114.372 137.850 97.702 152 1HD ARG 32 2HD ARG 32 116.855 136.223 97.083 153 2HD ARG 32 1HD ARG 32 117.055 137.825 97.813 154 HE ARG 32 HE ARG 32 115.047 136.433 99.242 155 1HH1 ARG 32 1HH2 ARG 32 118.573 136.395 98.837 156 2HH1 ARG 32 2HH2 ARG 32 118.877 135.969 100.501 157 1HH2 ARG 32 1HH1 ARG 32 115.442 135.957 101.393 158 2HH2 ARG 32 2HH1 ARG 32 117.068 135.682 101.975 159 H LYS 33 H LYS 33 111.663 136.147 95.250 160 HA LYS 33 HA LYS 33 111.159 133.539 93.997 161 1HB LYS 33 2HB LYS 33 108.989 134.306 93.499 162 2HB LYS 33 1HB LYS 33 109.361 134.561 95.199 163 1HG LYS 33 1HG LYS 33 109.634 137.002 94.743 164 2HG LYS 33 2HG LYS 33 109.231 136.698 93.032 165 1HD LYS 33 2HD LYS 33 107.093 135.563 93.840 166 2HD LYS 33 1HD LYS 33 107.459 136.137 95.471 167 1HE LYS 33 2HE LYS 33 107.037 137.890 93.010 168 2HE LYS 33 1HE LYS 33 105.794 137.528 94.216 169 1HZ LYS 33 1HZ LYS 33 107.106 138.609 95.867 170 2HZ LYS 33 2HZ LYS 33 106.879 139.647 94.601 171 3HZ LYS 33 3HZ LYS 33 108.322 138.888 94.813 172 H LYS 34 H LYS 34 110.386 133.460 91.802 173 HA LYS 34 HA LYS 34 112.513 134.485 90.111 174 1HB LYS 34 2HB LYS 34 110.346 132.420 89.538 175 2HB LYS 34 1HB LYS 34 111.780 132.746 88.551 176 1HG LYS 34 1HG LYS 34 113.159 132.221 90.630 177 2HG LYS 34 2HG LYS 34 111.680 131.594 91.376 178 1HD LYS 34 2HD LYS 34 111.403 129.991 89.497 179 2HD LYS 34 1HD LYS 34 112.908 130.593 88.768 180 1HE LYS 34 1HE LYS 34 114.168 129.902 90.800 181 2HE LYS 34 2HE LYS 34 112.667 129.289 91.522 182 1HZ LYS 34 1HZ LYS 34 113.902 128.304 89.045 183 2HZ LYS 34 2HZ LYS 34 112.507 127.735 89.716 184 3HZ LYS 34 3HZ LYS 34 113.938 127.555 90.512 185 H GLY 35 H GLY 35 109.246 134.543 90.222 186 1HA GLY 35 1HA GLY 35 108.487 136.028 87.830 187 2HA GLY 35 2HA GLY 35 107.519 135.943 89.299 188 H CYS 36 H CYS 36 107.326 138.245 88.230 189 HA CYS 36 HA CYS 36 109.287 140.216 88.843 190 1HB CYS 36 1HB CYS 36 107.013 140.641 87.535 191 2HB CYS 36 2HB CYS 36 106.322 140.820 88.966 192 H TRP 37 H TRP 37 110.058 140.747 90.771 193 HA TRP 37 HA TRP 37 109.108 139.765 93.213 194 1HB TRP 37 1HB TRP 37 111.390 140.824 92.404 195 2HB TRP 37 2HB TRP 37 110.727 142.307 93.075 196 HD1 TRP 37 HD1 TRP 37 111.967 138.841 93.830 197 HE1 TRP 37 HE1 TRP 37 112.717 138.669 96.333 198 HE3 TRP 37 HE3 TRP 37 110.146 143.295 95.559 199 HZ2 TRP 37 HZ2 TRP 37 112.606 140.296 98.679 200 HZ3 TRP 37 HZ3 TRP 37 110.479 143.958 97.919 201 HH2 TRP 37 HH2 TRP 37 111.723 142.481 99.479 202 H LYS 38 H LYS 38 108.224 142.595 91.342 203 HA LYS 38 HA LYS 38 107.049 144.013 93.631 204 1HB LYS 38 2HB LYS 38 108.843 144.909 92.066 205 2HB LYS 38 1HB LYS 38 107.645 145.005 90.793 206 1HG LYS 38 1HG LYS 38 107.384 146.285 93.516 207 2HG LYS 38 2HG LYS 38 108.115 147.072 92.104 208 1HD LYS 38 1HD LYS 38 105.926 146.907 90.909 209 2HD LYS 38 2HD LYS 38 105.181 146.251 92.377 210 1HE LYS 38 1HE LYS 38 106.471 148.991 92.166 211 2HE LYS 38 2HE LYS 38 104.734 148.634 92.173 212 1HZ LYS 38 1HZ LYS 38 106.615 148.109 94.359 213 2HZ LYS 38 2HZ LYS 38 105.489 149.306 94.296 214 3HZ LYS 38 3HZ LYS 38 105.008 147.730 94.371 215 H CYS 39 H CYS 39 106.278 143.428 90.121 216 HA CYS 39 HA CYS 39 103.644 144.577 90.666 217 1HB CYS 39 1HB CYS 39 103.459 145.001 88.468 218 2HB CYS 39 2HB CYS 39 105.195 144.958 88.603 219 H GLY 40 H GLY 40 105.014 141.367 90.416 220 1HA GLY 40 1HA GLY 40 103.950 139.629 91.555 221 2HA GLY 40 2HA GLY 40 102.363 140.344 91.289 222 H LYS 41 H LYS 41 103.560 140.586 88.248 223 HA LYS 41 HA LYS 41 102.419 138.059 87.322 224 1HB LYS 41 1HB LYS 41 104.032 140.232 85.959 225 2HB LYS 41 2HB LYS 41 103.513 138.761 85.134 226 1HG LYS 41 1HG LYS 41 101.170 139.241 85.603 227 2HG LYS 41 2HG LYS 41 101.626 140.702 86.473 228 1HD LYS 41 1HD LYS 41 100.830 141.261 84.229 229 2HD LYS 41 2HD LYS 41 102.529 141.673 84.397 230 1HE LYS 41 2HE LYS 41 102.070 140.676 82.207 231 2HE LYS 41 1HE LYS 41 103.182 139.650 83.111 232 1HZ LYS 41 1HZ LYS 41 100.282 139.231 82.838 233 2HZ LYS 41 2HZ LYS 41 101.455 138.402 82.033 234 3HZ LYS 41 3HZ LYS 41 101.312 138.246 83.666 235 H GLU 42 H GLU 42 103.728 136.694 85.951 236 HA GLU 42 HA GLU 42 106.544 136.306 86.848 237 1HB GLU 42 1HB GLU 42 106.186 133.888 87.038 238 2HB GLU 42 2HB GLU 42 105.171 134.803 88.165 239 1HG GLU 42 2HG GLU 42 103.268 134.619 86.563 240 2HG GLU 42 1HG GLU 42 104.271 133.609 85.508 241 H GLY 43 H GLY 43 104.592 136.846 84.195 242 1HA GLY 43 1HA GLY 43 106.200 135.342 82.249 243 2HA GLY 43 2HA GLY 43 104.954 136.560 81.937 244 H HIS 44 H HIS 44 107.918 136.494 83.834 245 HA HIS 44 HA HIS 44 109.884 137.755 82.714 246 1HB HIS 44 2HB HIS 44 109.791 140.148 83.240 247 2HB HIS 44 1HB HIS 44 108.735 139.713 81.950 248 HD1 HIS 44 HD1 HIS 44 106.142 140.155 82.457 249 HD2 HIS 44 HD2 HIS 44 108.523 141.014 85.797 250 HE1 HIS 44 HE1 HIS 44 104.832 141.535 84.138 251 H GLN 45 H GLN 45 111.385 138.735 84.191 252 HA GLN 45 HA GLN 45 110.917 138.009 87.044 253 1HB GLN 45 1HB GLN 45 113.391 138.155 87.206 254 2HB GLN 45 2HB GLN 45 112.868 136.946 86.063 255 1HG GLN 45 2HG GLN 45 113.311 139.670 84.904 256 2HG GLN 45 1HG GLN 45 114.704 138.876 85.573 257 1HE2 GLN 45 2HE2 GLN 45 115.759 137.335 84.310 258 2HE2 GLN 45 1HE2 GLN 45 115.092 136.656 82.840 259 H MET 46 H MET 46 112.552 139.554 88.334 260 HA MET 46 HA MET 46 110.966 141.927 88.593 261 1HB MET 46 2HB MET 46 112.226 142.156 90.659 262 2HB MET 46 1HB MET 46 112.047 140.429 90.366 263 1HG MET 46 2HG MET 46 114.327 140.333 89.424 264 2HG MET 46 1HG MET 46 114.551 142.047 89.793 265 1HE MET 46 1HE MET 46 114.760 142.136 93.663 266 2HE MET 46 2HE MET 46 114.916 143.052 92.148 267 3HE MET 46 3HE MET 46 113.321 142.477 92.686 268 H LYS 47 H LYS 47 114.100 141.227 87.204 269 HA LYS 47 HA LYS 47 115.079 143.899 86.949 270 1HB LYS 47 1HB LYS 47 115.729 141.610 85.043 271 2HB LYS 47 2HB LYS 47 116.710 143.000 85.506 272 1HG LYS 47 1HG LYS 47 116.679 141.945 87.904 273 2HG LYS 47 2HG LYS 47 115.974 140.528 87.131 274 1HD LYS 47 2HD LYS 47 118.277 140.085 87.285 275 2HD LYS 47 1HD LYS 47 117.938 140.412 85.577 276 1HE LYS 47 1HE LYS 47 118.866 142.714 85.844 277 2HE LYS 47 2HE LYS 47 119.115 142.413 87.573 278 1HZ LYS 47 1HZ LYS 47 120.654 140.688 86.971 279 2HZ LYS 47 2HZ LYS 47 121.102 142.126 86.305 280 3HZ LYS 47 3HZ LYS 47 120.404 140.969 85.366 281 H ASP 48 H ASP 48 113.552 141.689 84.677 282 HA ASP 48 HA ASP 48 113.343 143.194 82.375 283 1HB ASP 48 2HB ASP 48 111.841 140.892 83.619 284 2HB ASP 48 1HB ASP 48 111.214 141.573 82.134 285 H CYS 49 H CYS 49 111.035 143.079 85.114 286 HA CYS 49 HA CYS 49 108.832 144.005 83.799 287 1HB CYS 49 1HB CYS 49 108.805 143.090 85.970 288 2HB CYS 49 2HB CYS 49 109.529 144.423 86.689 289 H THR 50 H THR 50 108.232 145.893 82.929 290 HA THR 50 HA THR 50 109.055 148.498 84.100 291 HB THR 50 HB THR 50 109.133 149.415 81.738 292 HG1 THR 50 HG1 THR 50 109.496 146.681 81.064 293 1HG2 THR 50 1HG2 THR 50 111.299 147.376 82.405 294 2HG2 THR 50 2HG2 THR 50 111.443 148.772 81.323 295 3HG2 THR 50 3HG2 THR 50 111.194 149.024 83.061 296 H GLU 51 H GLU 51 106.936 147.536 85.076 297 HA GLU 51 HA GLU 51 104.572 148.106 83.370 298 1HB GLU 51 2HB GLU 51 105.111 145.786 84.296 299 2HB GLU 51 1HB GLU 51 104.701 146.395 85.895 300 1HG GLU 51 1HG GLU 51 102.448 146.933 85.137 301 2HG GLU 51 2HG GLU 51 102.858 146.477 83.475 302 H ARG 52 H ARG 52 105.295 148.043 86.926 303 HA ARG 52 HA ARG 52 104.704 150.876 87.252 304 1HB ARG 52 1HB ARG 52 103.082 150.168 89.002 305 2HB ARG 52 2HB ARG 52 102.499 149.902 87.360 306 1HG ARG 52 2HG ARG 52 102.946 147.518 87.555 307 2HG ARG 52 1HG ARG 52 103.731 147.727 89.129 308 1HD ARG 52 1HD ARG 52 101.674 148.398 90.179 309 2HD ARG 52 2HD ARG 52 100.823 148.499 88.638 310 HE ARG 52 HE ARG 52 101.364 146.119 90.228 311 1HH1 ARG 52 1HH1 ARG 52 100.619 147.296 86.957 312 2HH1 ARG 52 2HH1 ARG 52 100.457 145.687 86.297 313 1HH2 ARG 52 1HH2 ARG 52 100.959 143.995 89.337 314 2HH2 ARG 52 2HH2 ARG 52 100.446 143.864 87.674 315 H GLN 53 H GLN 53 107.223 149.367 87.471 316 HA GLN 53 HA GLN 53 107.614 148.605 90.221 317 1HB GLN 53 2HB GLN 53 109.596 149.177 87.983 318 2HB GLN 53 1HB GLN 53 109.965 148.547 89.591 319 1HG GLN 53 2HG GLN 53 108.046 146.766 88.910 320 2HG GLN 53 1HG GLN 53 108.619 147.188 87.290 321 1HE2 GLN 53 1HE2 GLN 53 111.087 146.999 86.969 322 2HE2 GLN 53 2HE2 GLN 53 111.890 145.698 87.827 Start of MODEL 8 1 1H ASN 12 1H ASN 12 96.215 143.808 104.966 2 2H ASN 12 2H ASN 12 97.580 144.742 104.949 3 3H ASN 12 3H ASN 12 97.250 143.750 103.674 4 HA ASN 12 HA ASN 12 97.830 142.830 106.382 5 1HB ASN 12 2HB ASN 12 97.285 141.344 104.022 6 2HB ASN 12 1HB ASN 12 97.918 140.611 105.499 7 1HD2 ASN 12 2HD2 ASN 12 95.835 139.290 105.166 8 2HD2 ASN 12 1HD2 ASN 12 94.388 139.926 105.937 9 H VAL 13 H VAL 13 99.980 142.394 106.816 10 HA VAL 13 HA VAL 13 102.077 143.061 104.921 11 HB VAL 13 HB VAL 13 102.790 143.301 107.125 12 1HG1 VAL 13 1HG2 VAL 13 101.084 142.235 108.418 13 2HG1 VAL 13 2HG2 VAL 13 102.611 141.472 108.863 14 3HG1 VAL 13 3HG2 VAL 13 101.496 140.633 107.766 15 1HG2 VAL 13 1HG1 VAL 13 103.810 140.475 106.526 16 2HG2 VAL 13 2HG1 VAL 13 104.582 141.695 107.525 17 3HG2 VAL 13 3HG1 VAL 13 104.470 141.942 105.780 18 H LYS 14 H LYS 14 103.088 141.750 103.517 19 HA LYS 14 HA LYS 14 103.136 138.930 103.897 20 1HB LYS 14 2HB LYS 14 102.294 138.092 101.889 21 2HB LYS 14 1HB LYS 14 101.052 139.148 102.406 22 1HG LYS 14 1HG LYS 14 103.119 139.549 100.280 23 2HG LYS 14 2HG LYS 14 101.380 139.366 100.062 24 1HD LYS 14 1HD LYS 14 100.968 141.589 101.058 25 2HD LYS 14 2HD LYS 14 102.701 141.802 101.348 26 1HE LYS 14 2HE LYS 14 102.096 143.024 99.362 27 2HE LYS 14 1HE LYS 14 103.192 141.695 98.952 28 1HZ LYS 14 1HZ LYS 14 100.269 141.660 98.624 29 2HZ LYS 14 2HZ LYS 14 101.303 140.446 98.202 30 3HZ LYS 14 3HZ LYS 14 101.370 141.892 97.420 31 H CYS 15 H CYS 15 104.396 137.938 102.184 32 HA CYS 15 HA CYS 15 106.934 139.360 102.341 33 1HB CYS 15 2HB CYS 15 106.744 137.252 103.346 34 2HB CYS 15 1HB CYS 15 106.003 136.510 101.991 35 H PHE 16 H PHE 16 108.293 139.797 100.740 36 HA PHE 16 HA PHE 16 107.083 140.312 98.106 37 1HB PHE 16 2HB PHE 16 109.818 140.953 99.249 38 2HB PHE 16 1HB PHE 16 109.192 141.445 97.694 39 HD1 PHE 16 HD1 PHE 16 107.282 143.066 97.549 40 HD2 PHE 16 HD2 PHE 16 109.134 142.059 101.312 41 HE1 PHE 16 HE1 PHE 16 106.213 145.041 98.610 42 HE2 PHE 16 HE2 PHE 16 108.046 144.019 102.370 43 HZ PHE 16 HZ PHE 16 106.587 145.512 101.023 44 H ASN 17 H ASN 17 109.619 138.429 99.559 45 HA ASN 17 HA ASN 17 110.773 137.057 97.368 46 1HB ASN 17 1HB ASN 17 111.863 137.048 99.495 47 2HB ASN 17 2HB ASN 17 110.450 136.543 100.323 48 1HD2 ASN 17 1HD2 ASN 17 112.871 135.356 100.812 49 2HD2 ASN 17 2HD2 ASN 17 112.690 133.689 100.366 50 H CYS 18 H CYS 18 108.576 135.406 99.656 51 HA CYS 18 HA CYS 18 107.771 133.651 97.481 52 1HB CYS 18 2HB CYS 18 107.143 132.120 99.092 53 2HB CYS 18 1HB CYS 18 108.715 132.766 99.546 54 H GLY 19 H GLY 19 106.244 136.185 99.498 55 1HA GLY 19 1HA GLY 19 104.053 137.043 99.542 56 2HA GLY 19 2HA GLY 19 103.802 136.203 98.012 57 H LYS 20 H LYS 20 104.405 135.411 101.412 58 HA LYS 20 HA LYS 20 101.615 134.393 101.673 59 1HB LYS 20 2HB LYS 20 103.817 133.403 103.428 60 2HB LYS 20 1HB LYS 20 102.231 132.788 103.285 61 1HG LYS 20 2HG LYS 20 102.839 132.257 100.818 62 2HG LYS 20 1HG LYS 20 104.469 132.608 101.277 63 1HD LYS 20 2HD LYS 20 104.271 130.230 101.442 64 2HD LYS 20 1HD LYS 20 104.385 130.868 103.079 65 1HE LYS 20 2HE LYS 20 102.696 129.077 102.899 66 2HE LYS 20 1HE LYS 20 101.954 130.592 103.412 67 1HZ LYS 20 1HZ LYS 20 101.214 130.919 101.162 68 2HZ LYS 20 2HZ LYS 20 100.684 129.470 101.733 69 3HZ LYS 20 3HZ LYS 20 101.942 129.523 100.672 70 H GLU 21 H GLU 21 100.671 135.094 103.526 71 HA GLU 21 HA GLU 21 101.542 137.693 104.198 72 1HB GLU 21 1HB GLU 21 99.222 136.108 105.270 73 2HB GLU 21 2HB GLU 21 99.496 137.852 105.513 74 1HG GLU 21 1HG GLU 21 99.244 138.354 103.249 75 2HG GLU 21 2HG GLU 21 99.374 136.683 102.751 76 H GLY 22 H GLY 22 101.527 138.497 106.383 77 1HA GLY 22 1HA GLY 22 101.988 138.571 108.666 78 2HA GLY 22 2HA GLY 22 101.948 136.812 108.714 79 H HIS 23 H HIS 23 104.065 138.083 106.301 80 HA HIS 23 HA HIS 23 106.251 138.697 108.015 81 1HB HIS 23 1HB HIS 23 107.781 136.986 107.581 82 2HB HIS 23 2HB HIS 23 106.435 136.211 108.266 83 HD1 HIS 23 HD1 HIS 23 104.812 134.937 106.150 84 HD2 HIS 23 HD2 HIS 23 108.737 136.019 105.405 85 HE1 HIS 23 HE1 HIS 23 105.642 133.552 104.199 86 H THR 24 H THR 24 108.237 139.012 106.843 87 HA THR 24 HA THR 24 107.759 140.179 104.129 88 HB THR 24 HB THR 24 109.634 141.724 104.726 89 HG1 THR 24 HG1 THR 24 110.393 141.619 106.893 90 1HG2 THR 24 1HG2 THR 24 107.550 141.675 106.935 91 2HG2 THR 24 2HG2 THR 24 107.327 142.388 105.314 92 3HG2 THR 24 3HG2 THR 24 108.554 143.050 106.420 93 H ALA 25 H ALA 25 109.797 140.430 102.833 94 HA ALA 25 HA ALA 25 111.167 137.956 102.364 95 1HB ALA 25 1HB ALA 25 112.579 139.313 100.867 96 2HB ALA 25 2HB ALA 25 111.827 140.794 101.511 97 3HB ALA 25 3HB ALA 25 110.850 139.602 100.623 98 H ARG 26 H ARG 26 111.708 140.530 104.690 99 HA ARG 26 HA ARG 26 114.552 140.158 105.084 100 1HB ARG 26 2HB ARG 26 112.482 141.014 107.146 101 2HB ARG 26 1HB ARG 26 114.216 141.345 107.139 102 1HG ARG 26 1HG ARG 26 113.905 142.694 105.086 103 2HG ARG 26 2HG ARG 26 112.155 142.477 105.179 104 1HD ARG 26 1HD ARG 26 113.845 143.794 107.357 105 2HD ARG 26 2HD ARG 26 112.890 144.635 106.143 106 HE ARG 26 HE ARG 26 110.904 144.063 107.144 107 1HH1 ARG 26 2HH2 ARG 26 113.567 142.530 108.953 108 2HH1 ARG 26 1HH2 ARG 26 112.540 142.061 110.279 109 1HH2 ARG 26 1HH1 ARG 26 109.598 143.443 108.901 110 2HH2 ARG 26 2HH1 ARG 26 110.291 142.588 110.253 111 H ASN 27 H ASN 27 111.593 139.058 106.625 112 HA ASN 27 HA ASN 27 112.761 137.267 108.542 113 1HB ASN 27 1HB ASN 27 109.954 137.363 107.394 114 2HB ASN 27 2HB ASN 27 110.433 136.514 108.870 115 1HD2 ASN 27 1HD2 ASN 27 108.404 138.056 109.326 116 2HD2 ASN 27 2HD2 ASN 27 108.830 139.589 110.048 117 H CYS 28 H CYS 28 111.449 136.924 105.280 118 HA CYS 28 HA CYS 28 111.192 134.107 105.281 119 1HB CYS 28 1HB CYS 28 110.214 135.841 103.601 120 2HB CYS 28 2HB CYS 28 111.676 135.735 102.781 121 H ARG 29 H ARG 29 112.767 132.679 105.469 122 HA ARG 29 HA ARG 29 115.250 133.001 103.829 123 1HB ARG 29 2HB ARG 29 114.798 131.747 106.552 124 2HB ARG 29 1HB ARG 29 116.166 131.275 105.508 125 1HG ARG 29 2HG ARG 29 116.901 133.520 105.252 126 2HG ARG 29 1HG ARG 29 115.513 134.197 106.086 127 1HD ARG 29 2HD ARG 29 117.447 132.329 107.499 128 2HD ARG 29 1HD ARG 29 117.678 134.078 107.460 129 HE ARG 29 HE ARG 29 115.781 132.594 109.061 130 1HH1 ARG 29 2HH2 ARG 29 116.266 135.733 107.463 131 2HH1 ARG 29 1HH2 ARG 29 115.155 136.581 108.498 132 1HH2 ARG 29 1HH1 ARG 29 114.350 133.726 110.441 133 2HH2 ARG 29 2HH1 ARG 29 114.080 135.435 110.221 134 H ALA 30 H ALA 30 113.327 132.640 102.483 135 HA ALA 30 HA ALA 30 113.304 129.754 101.651 136 1HB ALA 30 1HB ALA 30 110.984 130.909 102.095 137 2HB ALA 30 2HB ALA 30 111.406 132.015 100.775 138 3HB ALA 30 3HB ALA 30 111.188 130.309 100.432 139 HA PRO 31 HA PRO 31 116.157 133.466 99.733 140 1HB PRO 31 1HB PRO 31 116.152 130.973 98.048 141 2HB PRO 31 2HB PRO 31 117.436 132.219 98.143 142 1HG PRO 31 2HG PRO 31 117.431 130.053 99.866 143 2HG PRO 31 1HG PRO 31 117.996 131.668 100.373 144 1HD PRO 31 2HD PRO 31 115.663 130.241 101.320 145 2HD PRO 31 1HD PRO 31 116.258 131.792 101.888 146 H ARG 32 H ARG 32 116.209 134.478 97.435 147 HA ARG 32 HA ARG 32 113.405 135.264 97.261 148 1HB ARG 32 2HB ARG 32 115.774 136.411 95.799 149 2HB ARG 32 1HB ARG 32 114.140 137.025 95.783 150 1HG ARG 32 2HG ARG 32 115.111 138.370 97.341 151 2HG ARG 32 1HG ARG 32 114.180 137.217 98.297 152 1HD ARG 32 1HD ARG 32 116.337 136.037 98.874 153 2HD ARG 32 2HD ARG 32 117.198 137.194 97.857 154 HE ARG 32 HE ARG 32 117.057 138.771 99.512 155 1HH1 ARG 32 2HH1 ARG 32 114.798 136.136 100.332 156 2HH1 ARG 32 1HH1 ARG 32 114.403 136.819 101.897 157 1HH2 ARG 32 2HH2 ARG 32 116.477 139.633 101.574 158 2HH2 ARG 32 1HH2 ARG 32 115.299 138.795 102.560 159 H LYS 33 H LYS 33 112.303 135.418 95.366 160 HA LYS 33 HA LYS 33 112.456 132.990 93.748 161 1HB LYS 33 1HB LYS 33 110.283 135.066 94.213 162 2HB LYS 33 2HB LYS 33 110.008 133.502 93.469 163 1HG LYS 33 1HG LYS 33 110.868 134.015 96.319 164 2HG LYS 33 2HG LYS 33 109.361 133.363 95.721 165 1HD LYS 33 2HD LYS 33 110.791 131.399 94.770 166 2HD LYS 33 1HD LYS 33 112.097 132.052 95.786 167 1HE LYS 33 2HE LYS 33 110.432 131.883 97.753 168 2HE LYS 33 1HE LYS 33 109.427 130.909 96.669 169 1HZ LYS 33 1HZ LYS 33 111.376 129.454 96.426 170 2HZ LYS 33 2HZ LYS 33 112.181 130.361 97.551 171 3HZ LYS 33 3HZ LYS 33 110.826 129.536 97.977 172 H LYS 34 H LYS 34 111.224 133.125 91.636 173 HA LYS 34 HA LYS 34 113.075 134.460 89.852 174 1HB LYS 34 1HB LYS 34 112.272 132.914 88.179 175 2HB LYS 34 2HB LYS 34 112.617 132.058 89.691 176 1HG LYS 34 2HG LYS 34 110.247 131.910 90.232 177 2HG LYS 34 1HG LYS 34 109.800 132.772 88.759 178 1HD LYS 34 1HD LYS 34 111.293 130.137 88.781 179 2HD LYS 34 2HD LYS 34 109.539 130.297 88.660 180 1HE LYS 34 1HE LYS 34 111.550 131.378 86.635 181 2HE LYS 34 2HE LYS 34 110.531 129.946 86.459 182 1HZ LYS 34 1HZ LYS 34 109.576 131.774 85.331 183 2HZ LYS 34 2HZ LYS 34 109.570 132.709 86.680 184 3HZ LYS 34 3HZ LYS 34 108.591 131.390 86.590 185 H GLY 35 H GLY 35 109.847 134.239 90.342 186 1HA GLY 35 1HA GLY 35 108.826 136.032 88.272 187 2HA GLY 35 2HA GLY 35 107.882 135.449 89.651 188 H CYS 36 H CYS 36 107.274 137.843 89.147 189 HA CYS 36 HA CYS 36 109.136 139.858 89.909 190 1HB CYS 36 1HB CYS 36 107.318 140.364 88.378 191 2HB CYS 36 2HB CYS 36 106.147 140.291 89.497 192 H TRP 37 H TRP 37 109.935 139.528 91.807 193 HA TRP 37 HA TRP 37 109.017 139.093 94.329 194 1HB TRP 37 1HB TRP 37 111.323 139.541 93.335 195 2HB TRP 37 2HB TRP 37 110.960 141.268 93.458 196 HD1 TRP 37 HD1 TRP 37 111.955 138.230 95.346 197 HE1 TRP 37 HE1 TRP 37 112.801 138.894 97.744 198 HE3 TRP 37 HE3 TRP 37 110.546 143.142 95.382 199 HZ2 TRP 37 HZ2 TRP 37 112.894 141.258 99.349 200 HZ3 TRP 37 HZ3 TRP 37 111.006 144.568 97.351 201 HH2 TRP 37 HH2 TRP 37 112.176 143.642 99.335 202 H LYS 38 H LYS 38 108.446 141.899 92.311 203 HA LYS 38 HA LYS 38 107.838 143.750 94.490 204 1HB LYS 38 1HB LYS 38 109.211 144.271 92.429 205 2HB LYS 38 2HB LYS 38 107.793 144.052 91.459 206 1HG LYS 38 1HG LYS 38 108.012 146.332 91.682 207 2HG LYS 38 2HG LYS 38 106.601 145.861 92.630 208 1HD LYS 38 2HD LYS 38 108.022 146.020 94.708 209 2HD LYS 38 1HD LYS 38 109.349 146.640 93.709 210 1HE LYS 38 2HE LYS 38 106.558 147.876 93.965 211 2HE LYS 38 1HE LYS 38 107.993 148.444 94.827 212 1HZ LYS 38 1HZ LYS 38 108.963 149.089 92.798 213 2HZ LYS 38 2HZ LYS 38 107.783 148.387 91.892 214 3HZ LYS 38 3HZ LYS 38 107.423 149.692 92.810 215 H CYS 39 H CYS 39 106.253 142.283 91.591 216 HA CYS 39 HA CYS 39 103.636 143.317 92.647 217 1HB CYS 39 2HB CYS 39 103.151 144.455 90.793 218 2HB CYS 39 1HB CYS 39 104.882 144.594 90.702 219 H GLY 40 H GLY 40 105.311 140.542 91.325 220 1HA GLY 40 1HA GLY 40 104.280 138.547 92.143 221 2HA GLY 40 2HA GLY 40 102.702 139.066 91.587 222 H LYS 41 H LYS 41 103.817 139.885 88.878 223 HA LYS 41 HA LYS 41 103.095 137.287 87.759 224 1HB LYS 41 1HB LYS 41 104.052 139.780 86.391 225 2HB LYS 41 2HB LYS 41 103.474 138.388 85.546 226 1HG LYS 41 2HG LYS 41 101.735 139.872 85.480 227 2HG LYS 41 1HG LYS 41 101.245 138.602 86.598 228 1HD LYS 41 1HD LYS 41 101.530 140.062 88.524 229 2HD LYS 41 2HD LYS 41 102.423 141.239 87.539 230 1HE LYS 41 1HE LYS 41 100.200 142.099 87.931 231 2HE LYS 41 2HE LYS 41 100.390 141.686 86.216 232 1HZ LYS 41 1HZ LYS 41 98.313 140.989 87.010 233 2HZ LYS 41 2HZ LYS 41 98.982 140.073 88.213 234 3HZ LYS 41 3HZ LYS 41 99.207 139.659 86.629 235 H GLU 42 H GLU 42 104.311 136.183 86.191 236 HA GLU 42 HA GLU 42 107.264 136.256 86.699 237 1HB GLU 42 2HB GLU 42 107.448 133.956 86.714 238 2HB GLU 42 1HB GLU 42 106.156 134.375 87.843 239 1HG GLU 42 1HG GLU 42 104.466 133.732 86.144 240 2HG GLU 42 2HG GLU 42 105.763 133.341 85.003 241 H GLY 43 H GLY 43 104.953 136.682 84.292 242 1HA GLY 43 1HA GLY 43 106.238 135.783 81.945 243 2HA GLY 43 2HA GLY 43 105.271 137.266 82.094 244 H HIS 44 H HIS 44 106.664 138.675 83.931 245 HA HIS 44 HA HIS 44 109.411 139.153 82.841 246 1HB HIS 44 2HB HIS 44 109.234 141.386 83.799 247 2HB HIS 44 1HB HIS 44 108.035 141.117 82.578 248 HD1 HIS 44 HD1 HIS 44 105.451 141.201 83.484 249 HD2 HIS 44 HD2 HIS 44 108.256 141.548 86.561 250 HE1 HIS 44 HE1 HIS 44 104.307 141.835 85.647 251 H GLN 45 H GLN 45 110.842 140.008 84.633 252 HA GLN 45 HA GLN 45 110.426 138.341 87.103 253 1HB GLN 45 1HB GLN 45 112.755 137.938 87.171 254 2HB GLN 45 2HB GLN 45 112.247 137.677 85.505 255 1HG GLN 45 2HG GLN 45 112.863 140.263 85.296 256 2HG GLN 45 1HG GLN 45 113.797 139.951 86.707 257 1HE2 GLN 45 1HE2 GLN 45 113.519 139.387 83.266 258 2HE2 GLN 45 2HE2 GLN 45 115.058 138.570 83.051 259 H MET 46 H MET 46 112.238 139.252 88.672 260 HA MET 46 HA MET 46 110.894 141.515 89.841 261 1HB MET 46 2HB MET 46 112.412 141.060 91.761 262 2HB MET 46 1HB MET 46 111.843 139.550 91.056 263 1HG MET 46 1HG MET 46 114.028 139.469 89.732 264 2HG MET 46 2HG MET 46 114.594 140.779 90.769 265 1HE MET 46 1HE MET 46 113.710 140.267 93.618 266 2HE MET 46 2HE MET 46 114.922 139.130 94.243 267 3HE MET 46 3HE MET 46 115.423 140.479 93.199 268 H LYS 47 H LYS 47 114.073 141.103 88.299 269 HA LYS 47 HA LYS 47 115.045 143.732 88.624 270 1HB LYS 47 2HB LYS 47 115.489 141.746 86.344 271 2HB LYS 47 1HB LYS 47 116.497 143.146 86.675 272 1HG LYS 47 2HG LYS 47 116.108 140.703 88.476 273 2HG LYS 47 1HG LYS 47 117.479 141.029 87.442 274 1HD LYS 47 2HD LYS 47 116.617 142.584 89.927 275 2HD LYS 47 1HD LYS 47 118.039 141.558 89.754 276 1HE LYS 47 2HE LYS 47 117.555 144.249 88.392 277 2HE LYS 47 1HE LYS 47 118.703 143.889 89.683 278 1HZ LYS 47 1HZ LYS 47 119.774 143.968 87.574 279 2HZ LYS 47 2HZ LYS 47 119.863 142.438 88.178 280 3HZ LYS 47 3HZ LYS 47 118.802 142.787 86.965 281 H ASP 48 H ASP 48 113.401 142.224 85.882 282 HA ASP 48 HA ASP 48 113.175 144.340 84.105 283 1HB ASP 48 1HB ASP 48 111.194 142.119 84.756 284 2HB ASP 48 2HB ASP 48 111.026 143.163 83.354 285 H CYS 49 H CYS 49 110.918 143.507 86.779 286 HA CYS 49 HA CYS 49 108.855 145.151 85.940 287 1HB CYS 49 2HB CYS 49 108.803 143.322 87.570 288 2HB CYS 49 1HB CYS 49 109.270 144.459 88.806 289 H THR 50 H THR 50 108.170 147.127 86.506 290 HA THR 50 HA THR 50 109.736 149.018 88.216 291 HB THR 50 HB THR 50 107.884 150.588 87.260 292 HG1 THR 50 HG1 THR 50 107.004 149.887 85.304 293 1HG2 THR 50 1HG2 THR 50 110.229 150.742 86.556 294 2HG2 THR 50 2HG2 THR 50 109.998 149.425 85.390 295 3HG2 THR 50 3HG2 THR 50 109.155 150.973 85.163 296 H GLU 51 H GLU 51 106.307 148.611 87.514 297 HA GLU 51 HA GLU 51 105.585 146.770 89.532 298 1HB GLU 51 2HB GLU 51 103.965 148.546 90.427 299 2HB GLU 51 1HB GLU 51 105.601 148.313 91.043 300 1HG GLU 51 2HG GLU 51 106.255 150.385 89.619 301 2HG GLU 51 1HG GLU 51 104.530 150.559 89.276 302 H ARG 52 H ARG 52 105.577 147.019 86.677 303 HA ARG 52 HA ARG 52 102.778 147.393 85.870 304 1HB ARG 52 1HB ARG 52 103.682 147.295 83.652 305 2HB ARG 52 2HB ARG 52 104.624 148.449 84.596 306 1HG ARG 52 1HG ARG 52 106.397 146.677 84.892 307 2HG ARG 52 2HG ARG 52 105.435 145.585 83.885 308 1HD ARG 52 2HD ARG 52 105.542 147.211 82.020 309 2HD ARG 52 1HD ARG 52 106.579 148.266 82.989 310 HE ARG 52 HE ARG 52 107.281 145.821 81.585 311 1HH1 ARG 52 2HH1 ARG 52 108.241 147.886 84.341 312 2HH1 ARG 52 1HH1 ARG 52 109.852 147.200 84.403 313 1HH2 ARG 52 2HH2 ARG 52 109.426 145.008 81.695 314 2HH2 ARG 52 1HH2 ARG 52 110.515 145.607 82.926 315 H GLN 53 H GLN 53 101.877 145.707 84.380 316 HA GLN 53 HA GLN 53 102.133 143.053 85.508 317 1HB GLN 53 2HB GLN 53 100.491 144.107 83.160 318 2HB GLN 53 1HB GLN 53 100.338 142.536 83.950 319 1HG GLN 53 2HG GLN 53 100.000 143.986 86.150 320 2HG GLN 53 1HG GLN 53 99.596 145.271 85.012 321 1HE2 GLN 53 1HE2 GLN 53 97.841 144.743 83.374 322 2HE2 GLN 53 2HE2 GLN 53 96.545 143.681 83.885 Start of MODEL 9 1 1H ASN 12 1H ASN 12 95.662 140.670 104.367 2 2H ASN 12 2H ASN 12 96.968 139.895 103.693 3 3H ASN 12 3H ASN 12 96.642 141.443 103.284 4 HA ASN 12 HA ASN 12 97.128 142.227 105.432 5 1HB ASN 12 2HB ASN 12 97.969 140.866 107.221 6 2HB ASN 12 1HB ASN 12 96.337 140.400 106.746 7 1HD2 ASN 12 1HD2 ASN 12 96.050 138.568 105.305 8 2HD2 ASN 12 2HD2 ASN 12 97.379 137.512 104.957 9 H VAL 13 H VAL 13 99.468 142.033 106.482 10 HA VAL 13 HA VAL 13 101.545 142.749 104.856 11 HB VAL 13 HB VAL 13 102.161 142.782 107.090 12 1HG1 VAL 13 1HG2 VAL 13 100.414 141.444 108.088 13 2HG1 VAL 13 2HG2 VAL 13 101.971 140.826 108.647 14 3HG1 VAL 13 3HG2 VAL 13 101.094 139.960 107.371 15 1HG2 VAL 13 1HG1 VAL 13 104.059 141.613 105.822 16 2HG2 VAL 13 2HG1 VAL 13 103.405 140.067 106.393 17 3HG2 VAL 13 3HG1 VAL 13 104.003 141.238 107.549 18 H LYS 14 H LYS 14 102.907 141.838 103.399 19 HA LYS 14 HA LYS 14 103.270 138.980 103.455 20 1HB LYS 14 1HB LYS 14 102.550 138.307 101.418 21 2HB LYS 14 2HB LYS 14 101.406 139.577 101.601 22 1HG LYS 14 2HG LYS 14 103.846 139.666 99.952 23 2HG LYS 14 1HG LYS 14 102.168 139.685 99.460 24 1HD LYS 14 2HD LYS 14 101.788 141.903 100.197 25 2HD LYS 14 1HD LYS 14 103.301 141.997 101.094 26 1HE LYS 14 2HE LYS 14 103.112 141.734 98.068 27 2HE LYS 14 1HE LYS 14 103.403 143.239 98.958 28 1HZ LYS 14 1HZ LYS 14 105.174 140.884 98.985 29 2HZ LYS 14 2HZ LYS 14 105.411 142.279 99.827 30 3HZ LYS 14 3HZ LYS 14 105.435 142.299 98.186 31 H CYS 15 H CYS 15 104.710 138.266 101.920 32 HA CYS 15 HA CYS 15 107.257 139.628 102.413 33 1HB CYS 15 1HB CYS 15 106.816 137.402 103.316 34 2HB CYS 15 2HB CYS 15 106.325 136.785 101.805 35 H PHE 16 H PHE 16 108.796 139.900 100.830 36 HA PHE 16 HA PHE 16 107.718 140.363 98.080 37 1HB PHE 16 2HB PHE 16 110.131 141.418 99.587 38 2HB PHE 16 1HB PHE 16 109.757 141.732 97.911 39 HD1 PHE 16 HD1 PHE 16 108.523 142.187 101.421 40 HD2 PHE 16 HD2 PHE 16 108.098 143.399 97.302 41 HE1 PHE 16 HE1 PHE 16 106.938 143.961 102.101 42 HE2 PHE 16 HE2 PHE 16 106.545 145.198 97.994 43 HZ PHE 16 HZ PHE 16 105.949 145.475 100.394 44 H ASN 17 H ASN 17 110.202 138.807 99.904 45 HA ASN 17 HA ASN 17 111.772 137.468 97.980 46 1HB ASN 17 1HB ASN 17 112.393 137.739 100.346 47 2HB ASN 17 2HB ASN 17 110.963 136.917 100.841 48 1HD2 ASN 17 2HD2 ASN 17 110.669 134.634 99.877 49 2HD2 ASN 17 1HD2 ASN 17 112.030 133.643 100.307 50 H CYS 18 H CYS 18 108.654 136.546 99.493 51 HA CYS 18 HA CYS 18 108.275 134.432 97.437 52 1HB CYS 18 1HB CYS 18 107.652 132.788 98.809 53 2HB CYS 18 2HB CYS 18 109.179 133.362 99.444 54 H GLY 19 H GLY 19 106.740 136.691 99.772 55 1HA GLY 19 1HA GLY 19 104.655 137.236 100.305 56 2HA GLY 19 2HA GLY 19 104.228 137.267 98.634 57 H LYS 20 H LYS 20 104.776 135.180 101.406 58 HA LYS 20 HA LYS 20 102.469 133.455 100.755 59 1HB LYS 20 2HB LYS 20 104.900 133.480 102.540 60 2HB LYS 20 1HB LYS 20 103.539 132.648 103.225 61 1HG LYS 20 2HG LYS 20 104.019 131.870 100.437 62 2HG LYS 20 1HG LYS 20 105.484 131.742 101.394 63 1HD LYS 20 2HD LYS 20 104.622 129.648 101.682 64 2HD LYS 20 1HD LYS 20 104.131 130.431 103.165 65 1HE LYS 20 1HE LYS 20 102.305 130.188 100.713 66 2HE LYS 20 2HE LYS 20 102.355 128.996 102.019 67 1HZ LYS 20 1HZ LYS 20 101.692 130.674 103.553 68 2HZ LYS 20 2HZ LYS 20 100.597 130.545 102.333 69 3HZ LYS 20 3HZ LYS 20 101.633 131.820 102.378 70 H GLU 21 H GLU 21 102.783 135.999 101.999 71 HA GLU 21 HA GLU 21 101.871 137.511 103.442 72 1HB GLU 21 1HB GLU 21 99.665 135.493 103.611 73 2HB GLU 21 2HB GLU 21 99.600 137.030 104.469 74 1HG GLU 21 2HG GLU 21 100.006 138.212 102.345 75 2HG GLU 21 1HG GLU 21 99.908 136.684 101.485 76 H GLY 22 H GLY 22 101.256 137.900 105.675 77 1HA GLY 22 1HA GLY 22 101.387 137.743 107.968 78 2HA GLY 22 2HA GLY 22 101.579 136.003 107.808 79 H HIS 23 H HIS 23 103.847 137.791 105.986 80 HA HIS 23 HA HIS 23 105.709 138.420 108.027 81 1HB HIS 23 1HB HIS 23 107.438 136.848 107.714 82 2HB HIS 23 2HB HIS 23 106.094 135.940 108.201 83 HD1 HIS 23 HD1 HIS 23 104.884 134.480 106.086 84 HD2 HIS 23 HD2 HIS 23 108.685 136.050 105.545 85 HE1 HIS 23 HE1 HIS 23 106.052 133.169 104.251 86 H THR 24 H THR 24 107.867 138.870 107.117 87 HA THR 24 HA THR 24 107.619 140.252 104.487 88 HB THR 24 HB THR 24 109.358 141.773 105.406 89 HG1 THR 24 HG1 THR 24 109.902 141.438 107.656 90 1HG2 THR 24 1HG2 THR 24 106.979 142.266 105.896 91 2HG2 THR 24 2HG2 THR 24 108.098 142.855 107.147 92 3HG2 THR 24 3HG2 THR 24 107.134 141.392 107.443 93 H ALA 25 H ALA 25 109.708 140.649 103.385 94 HA ALA 25 HA ALA 25 111.208 138.313 102.757 95 1HB ALA 25 1HB ALA 25 111.887 141.261 102.408 96 2HB ALA 25 2HB ALA 25 111.026 140.223 101.251 97 3HB ALA 25 3HB ALA 25 112.728 139.904 101.629 98 H ARG 26 H ARG 26 111.472 140.563 105.459 99 HA ARG 26 HA ARG 26 114.284 140.088 105.996 100 1HB ARG 26 1HB ARG 26 112.141 140.982 107.978 101 2HB ARG 26 2HB ARG 26 113.891 141.206 108.059 102 1HG ARG 26 1HG ARG 26 113.636 142.516 105.847 103 2HG ARG 26 2HG ARG 26 111.897 142.511 106.155 104 1HD ARG 26 2HD ARG 26 112.778 144.588 106.984 105 2HD ARG 26 1HD ARG 26 112.284 143.588 108.367 106 HE ARG 26 HE ARG 26 115.044 143.132 107.783 107 1HH1 ARG 26 2HH1 ARG 26 112.938 145.656 109.117 108 2HH1 ARG 26 1HH1 ARG 26 114.187 146.353 110.115 109 1HH2 ARG 26 2HH2 ARG 26 116.678 144.049 109.099 110 2HH2 ARG 26 1HH2 ARG 26 116.329 145.433 110.102 111 H ASN 27 H ASN 27 111.202 138.886 107.184 112 HA ASN 27 HA ASN 27 112.248 137.075 109.168 113 1HB ASN 27 2HB ASN 27 109.561 137.175 107.775 114 2HB ASN 27 1HB ASN 27 109.901 136.274 109.262 115 1HD2 ASN 27 2HD2 ASN 27 107.811 137.824 109.529 116 2HD2 ASN 27 1HD2 ASN 27 108.164 139.325 110.352 117 H CYS 28 H CYS 28 111.231 136.771 105.806 118 HA CYS 28 HA CYS 28 110.737 134.042 105.636 119 1HB CYS 28 2HB CYS 28 110.198 135.872 103.929 120 2HB CYS 28 1HB CYS 28 111.794 135.823 103.457 121 H ARG 29 H ARG 29 111.746 132.305 105.078 122 HA ARG 29 HA ARG 29 114.569 132.250 104.276 123 1HB ARG 29 2HB ARG 29 115.085 130.368 105.751 124 2HB ARG 29 1HB ARG 29 114.835 131.933 106.548 125 1HG ARG 29 2HG ARG 29 112.560 131.342 107.125 126 2HG ARG 29 1HG ARG 29 112.702 129.829 106.222 127 1HD ARG 29 1HD ARG 29 112.934 129.374 108.629 128 2HD ARG 29 2HD ARG 29 114.473 129.056 107.799 129 HE ARG 29 HE ARG 29 114.407 131.759 108.735 130 1HH1 ARG 29 1HH2 ARG 29 114.694 128.456 109.994 131 2HH1 ARG 29 2HH2 ARG 29 115.602 128.934 111.405 132 1HH2 ARG 29 2HH1 ARG 29 115.600 132.379 110.585 133 2HH2 ARG 29 1HH1 ARG 29 116.119 131.183 111.743 134 H ALA 30 H ALA 30 112.481 132.215 102.685 135 HA ALA 30 HA ALA 30 112.287 129.417 101.629 136 1HB ALA 30 1HB ALA 30 110.045 130.578 102.266 137 2HB ALA 30 2HB ALA 30 110.405 131.749 100.982 138 3HB ALA 30 3HB ALA 30 110.165 130.059 100.573 139 HA PRO 31 HA PRO 31 115.411 132.881 99.777 140 1HB PRO 31 2HB PRO 31 115.087 130.423 98.054 141 2HB PRO 31 1HB PRO 31 116.498 131.533 98.100 142 1HG PRO 31 2HG PRO 31 116.319 129.365 99.804 143 2HG PRO 31 1HG PRO 31 117.055 130.906 100.320 144 1HD PRO 31 1HD PRO 31 114.607 129.711 101.314 145 2HD PRO 31 2HD PRO 31 115.375 131.197 101.869 146 H ARG 32 H ARG 32 115.651 133.841 97.462 147 HA ARG 32 HA ARG 32 113.080 135.205 97.308 148 1HB ARG 32 2HB ARG 32 115.662 135.758 95.801 149 2HB ARG 32 1HB ARG 32 114.233 136.770 95.828 150 1HG ARG 32 2HG ARG 32 115.676 137.810 97.272 151 2HG ARG 32 1HG ARG 32 114.482 137.042 98.320 152 1HD ARG 32 2HD ARG 32 116.085 135.387 99.059 153 2HD ARG 32 1HD ARG 32 117.155 135.737 97.696 154 HE ARG 32 HE ARG 32 118.106 137.456 98.806 155 1HH1 ARG 32 2HH2 ARG 32 115.125 136.635 100.567 156 2HH1 ARG 32 1HH2 ARG 32 115.480 137.701 101.900 157 1HH2 ARG 32 2HH1 ARG 32 118.550 138.835 100.558 158 2HH2 ARG 32 1HH1 ARG 32 117.434 138.951 101.894 159 H LYS 33 H LYS 33 112.138 135.770 95.328 160 HA LYS 33 HA LYS 33 111.661 133.365 93.729 161 1HB LYS 33 2HB LYS 33 109.578 134.423 93.118 162 2HB LYS 33 1HB LYS 33 109.791 134.344 94.866 163 1HG LYS 33 1HG LYS 33 110.409 136.760 94.887 164 2HG LYS 33 2HG LYS 33 110.198 136.829 93.132 165 1HD LYS 33 1HD LYS 33 108.037 136.129 95.184 166 2HD LYS 33 2HD LYS 33 108.247 137.681 94.373 167 1HE LYS 33 1HE LYS 33 108.047 136.290 92.153 168 2HE LYS 33 2HE LYS 33 107.325 135.039 93.184 169 1HZ LYS 33 1HZ LYS 33 106.408 137.813 92.885 170 2HZ LYS 33 2HZ LYS 33 105.688 136.492 92.219 171 3HZ LYS 33 3HZ LYS 33 105.698 136.678 93.855 172 H LYS 34 H LYS 34 111.026 133.528 91.535 173 HA LYS 34 HA LYS 34 113.042 134.887 89.914 174 1HB LYS 34 1HB LYS 34 110.993 132.752 89.175 175 2HB LYS 34 2HB LYS 34 112.325 133.328 88.158 176 1HG LYS 34 2HG LYS 34 113.890 132.627 90.033 177 2HG LYS 34 1HG LYS 34 112.519 131.801 90.795 178 1HD LYS 34 1HD LYS 34 112.168 130.479 88.704 179 2HD LYS 34 2HD LYS 34 113.616 131.219 88.002 180 1HE LYS 34 1HE LYS 34 113.527 129.514 90.540 181 2HE LYS 34 2HE LYS 34 114.059 128.963 88.943 182 1HZ LYS 34 1HZ LYS 34 115.340 131.070 90.537 183 2HZ LYS 34 2HZ LYS 34 115.816 130.584 89.035 184 3HZ LYS 34 3HZ LYS 34 115.903 129.541 90.307 185 H GLY 35 H GLY 35 109.800 134.623 90.251 186 1HA GLY 35 1HA GLY 35 108.661 136.455 88.267 187 2HA GLY 35 2HA GLY 35 107.906 135.972 89.782 188 H CYS 36 H CYS 36 107.358 138.400 89.312 189 HA CYS 36 HA CYS 36 109.306 140.346 89.996 190 1HB CYS 36 1HB CYS 36 106.886 140.925 89.112 191 2HB CYS 36 2HB CYS 36 106.401 140.840 90.662 192 H TRP 37 H TRP 37 110.335 140.598 91.773 193 HA TRP 37 HA TRP 37 109.710 139.541 94.358 194 1HB TRP 37 1HB TRP 37 111.935 140.172 93.203 195 2HB TRP 37 2HB TRP 37 111.566 141.844 93.646 196 HD1 TRP 37 HD1 TRP 37 112.666 138.533 94.865 197 HE1 TRP 37 HE1 TRP 37 113.552 138.679 97.339 198 HE3 TRP 37 HE3 TRP 37 111.358 143.349 95.917 199 HZ2 TRP 37 HZ2 TRP 37 113.572 140.610 99.440 200 HZ3 TRP 37 HZ3 TRP 37 111.840 144.332 98.139 201 HH2 TRP 37 HH2 TRP 37 112.925 142.972 99.911 202 H LYS 38 H LYS 38 109.038 142.518 92.613 203 HA LYS 38 HA LYS 38 108.680 144.157 94.956 204 1HB LYS 38 1HB LYS 38 109.765 144.728 92.675 205 2HB LYS 38 2HB LYS 38 108.145 144.886 92.049 206 1HG LYS 38 2HG LYS 38 108.924 147.036 92.617 207 2HG LYS 38 1HG LYS 38 107.654 146.636 93.786 208 1HD LYS 38 1HD LYS 38 109.344 146.181 95.510 209 2HD LYS 38 2HD LYS 38 110.652 146.325 94.313 210 1HE LYS 38 1HE LYS 38 110.078 148.710 93.972 211 2HE LYS 38 2HE LYS 38 108.741 148.562 95.131 212 1HZ LYS 38 1HZ LYS 38 110.347 148.039 96.819 213 2HZ LYS 38 2HZ LYS 38 111.589 148.176 95.744 214 3HZ LYS 38 3HZ LYS 38 110.684 149.497 96.131 215 H CYS 39 H CYS 39 106.556 143.237 92.141 216 HA CYS 39 HA CYS 39 104.279 144.400 93.676 217 1HB CYS 39 2HB CYS 39 103.265 144.982 91.668 218 2HB CYS 39 1HB CYS 39 104.940 145.446 91.495 219 H GLY 40 H GLY 40 105.642 141.395 92.476 220 1HA GLY 40 1HA GLY 40 104.971 139.444 93.621 221 2HA GLY 40 2HA GLY 40 103.338 140.054 93.831 222 H LYS 41 H LYS 41 103.777 140.819 90.718 223 HA LYS 41 HA LYS 41 102.460 138.560 89.520 224 1HB LYS 41 1HB LYS 41 104.055 140.913 88.455 225 2HB LYS 41 2HB LYS 41 103.374 139.715 87.378 226 1HG LYS 41 1HG LYS 41 102.037 141.742 87.540 227 2HG LYS 41 2HG LYS 41 101.144 140.257 87.869 228 1HD LYS 41 1HD LYS 41 100.940 140.735 90.173 229 2HD LYS 41 2HD LYS 41 102.212 141.953 90.149 230 1HE LYS 41 2HE LYS 41 100.004 142.976 90.362 231 2HE LYS 41 1HE LYS 41 100.880 143.521 88.929 232 1HZ LYS 41 1HZ LYS 41 98.575 143.051 88.515 233 2HZ LYS 41 2HZ LYS 41 98.793 141.458 88.887 234 3HZ LYS 41 3HZ LYS 41 99.558 142.135 87.581 235 H GLU 42 H GLU 42 103.596 137.508 87.579 236 HA GLU 42 HA GLU 42 106.480 136.998 87.967 237 1HB GLU 42 2HB GLU 42 106.237 134.570 88.062 238 2HB GLU 42 1HB GLU 42 105.419 135.372 89.411 239 1HG GLU 42 2HG GLU 42 103.261 135.178 88.179 240 2HG GLU 42 1HG GLU 42 104.083 134.264 86.904 241 H GLY 43 H GLY 43 104.024 137.557 85.711 242 1HA GLY 43 1HA GLY 43 104.993 136.177 83.441 243 2HA GLY 43 2HA GLY 43 104.170 137.746 83.463 244 H HIS 44 H HIS 44 106.016 139.111 85.119 245 HA HIS 44 HA HIS 44 108.551 139.222 83.534 246 1HB HIS 44 1HB HIS 44 108.754 141.523 84.382 247 2HB HIS 44 2HB HIS 44 107.379 141.295 83.333 248 HD1 HIS 44 HD1 HIS 44 105.059 141.920 84.362 249 HD2 HIS 44 HD2 HIS 44 108.002 141.708 87.319 250 HE1 HIS 44 HE1 HIS 44 104.213 143.005 86.508 251 H GLN 45 H GLN 45 110.358 140.035 84.866 252 HA GLN 45 HA GLN 45 110.454 138.671 87.517 253 1HB GLN 45 1HB GLN 45 112.795 138.455 87.274 254 2HB GLN 45 2HB GLN 45 112.101 137.988 85.727 255 1HG GLN 45 1HG GLN 45 112.471 140.411 85.022 256 2HG GLN 45 2HG GLN 45 113.491 140.583 86.417 257 1HE2 GLN 45 2HE2 GLN 45 114.063 140.533 83.391 258 2HE2 GLN 45 1HE2 GLN 45 115.366 139.369 83.233 259 H MET 46 H MET 46 112.498 139.919 88.620 260 HA MET 46 HA MET 46 111.048 142.100 89.858 261 1HB MET 46 2HB MET 46 112.686 141.832 91.641 262 2HB MET 46 1HB MET 46 112.352 140.242 90.980 263 1HG MET 46 2HG MET 46 114.409 140.372 89.596 264 2HG MET 46 1HG MET 46 114.801 141.921 90.353 265 1HE MET 46 1HE MET 46 114.177 141.603 93.420 266 2HE MET 46 2HE MET 46 115.700 142.237 92.754 267 3HE MET 46 3HE MET 46 115.727 140.959 93.990 268 H LYS 47 H LYS 47 113.952 141.850 87.866 269 HA LYS 47 HA LYS 47 114.796 144.550 87.964 270 1HB LYS 47 1HB LYS 47 115.136 142.795 85.511 271 2HB LYS 47 2HB LYS 47 116.218 144.012 86.194 272 1HG LYS 47 1HG LYS 47 116.355 142.318 88.225 273 2HG LYS 47 2HG LYS 47 115.712 141.149 87.078 274 1HD LYS 47 2HD LYS 47 118.241 142.795 86.656 275 2HD LYS 47 1HD LYS 47 118.181 141.107 87.193 276 1HE LYS 47 1HE LYS 47 117.057 140.458 85.076 277 2HE LYS 47 2HE LYS 47 117.144 142.137 84.507 278 1HZ LYS 47 1HZ LYS 47 119.518 141.992 84.626 279 2HZ LYS 47 2HZ LYS 47 119.440 140.429 85.146 280 3HZ LYS 47 3HZ LYS 47 118.907 140.824 83.639 281 H ASP 48 H ASP 48 112.922 142.782 85.560 282 HA ASP 48 HA ASP 48 112.349 144.646 83.626 283 1HB ASP 48 2HB ASP 48 110.956 142.205 84.761 284 2HB ASP 48 1HB ASP 48 110.142 143.113 83.511 285 H CYS 49 H CYS 49 110.537 144.018 86.597 286 HA CYS 49 HA CYS 49 108.113 144.957 85.987 287 1HB CYS 49 2HB CYS 49 108.584 143.807 87.960 288 2HB CYS 49 1HB CYS 49 109.545 145.052 88.642 289 H THR 50 H THR 50 107.242 146.672 85.329 290 HA THR 50 HA THR 50 107.554 149.226 86.800 291 HB THR 50 HB THR 50 106.964 150.423 84.729 292 HG1 THR 50 HG1 THR 50 107.019 149.334 82.783 293 1HG2 THR 50 1HG2 THR 50 109.464 148.708 84.367 294 2HG2 THR 50 2HG2 THR 50 109.129 150.275 83.608 295 3HG2 THR 50 3HG2 THR 50 109.357 150.174 85.364 296 H GLU 51 H GLU 51 105.838 146.531 86.681 297 HA GLU 51 HA GLU 51 103.975 145.693 86.869 298 1HB GLU 51 1HB GLU 51 104.194 146.894 88.989 299 2HB GLU 51 2HB GLU 51 103.176 148.185 88.376 300 1HG GLU 51 1HG GLU 51 101.406 146.485 87.912 301 2HG GLU 51 2HG GLU 51 102.448 145.221 88.544 302 H ARG 52 H ARG 52 104.344 146.149 84.570 303 HA ARG 52 HA ARG 52 102.292 147.512 83.057 304 1HB ARG 52 2HB ARG 52 103.946 145.055 82.299 305 2HB ARG 52 1HB ARG 52 103.105 146.168 81.220 306 1HG ARG 52 2HG ARG 52 104.689 147.980 81.940 307 2HG ARG 52 1HG ARG 52 105.506 146.781 82.965 308 1HD ARG 52 1HD ARG 52 105.836 145.364 80.841 309 2HD ARG 52 2HD ARG 52 105.277 146.769 79.932 310 HE ARG 52 HE ARG 52 107.314 147.777 80.233 311 1HH1 ARG 52 2HH2 ARG 52 107.051 145.113 82.588 312 2HH1 ARG 52 1HH2 ARG 52 108.673 145.360 83.203 313 1HH2 ARG 52 1HH1 ARG 52 109.468 148.021 81.066 314 2HH2 ARG 52 2HH1 ARG 52 110.005 146.982 82.369 315 H GLN 53 H GLN 53 102.949 144.178 84.046 316 HA GLN 53 HA GLN 53 100.284 143.151 83.402 317 1HB GLN 53 2HB GLN 53 102.770 141.869 84.618 318 2HB GLN 53 1HB GLN 53 101.340 141.021 84.022 319 1HG GLN 53 2HG GLN 53 101.795 141.806 81.728 320 2HG GLN 53 1HG GLN 53 103.203 142.716 82.289 321 1HE2 GLN 53 2HE2 GLN 53 102.098 139.603 81.264 322 2HE2 GLN 53 1HE2 GLN 53 103.605 138.756 81.534
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