NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
1594 | 1aqq | cing | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLN 1 2H GLN 1 -3.817 10.590 -4.190 2 2H GLN 1 1H GLN 1 -3.511 11.418 -5.643 3 3H GLN 1 3H GLN 1 -4.589 10.108 -5.626 4 HA GLN 1 HA GLN 1 -2.849 8.547 -5.245 5 1HB GLN 1 2HB GLN 1 -2.553 10.673 -7.346 6 2HB GLN 1 1HB GLN 1 -1.350 9.385 -7.262 7 1HG GLN 1 2HG GLN 1 -2.825 7.776 -7.952 8 2HG GLN 1 1HG GLN 1 -4.187 8.521 -7.114 9 1HE2 GLN 1 2HE2 GLN 1 -4.430 8.974 -10.899 10 2HE2 GLN 1 1HE2 GLN 1 -4.090 7.601 -9.960 11 H ASN 2 H ASN 2 -2.337 10.236 -3.067 12 HA ASN 2 HA ASN 2 0.407 11.300 -3.321 13 1HB ASN 2 2HB ASN 2 -1.847 11.312 -1.356 14 2HB ASN 2 1HB ASN 2 -0.221 11.582 -0.727 15 1HD2 ASN 2 2HD2 ASN 2 -0.846 14.992 -1.554 16 2HD2 ASN 2 1HD2 ASN 2 -0.740 13.869 -0.285 17 H GLU 3 H GLU 3 1.977 9.700 -3.330 18 HA GLU 3 HA GLU 3 1.783 7.579 -1.203 19 1HB GLU 3 2HB GLU 3 2.885 6.101 -2.826 20 2HB GLU 3 1HB GLU 3 1.483 6.830 -3.605 21 1HG GLU 3 2HG GLU 3 3.858 8.493 -3.887 22 2HG GLU 3 1HG GLU 3 4.097 6.883 -4.568 23 H GLY 4 H GLY 4 2.981 10.161 -0.973 24 1HA GLY 4 2HA GLY 4 5.907 9.673 -1.071 25 2HA GLY 4 1HA GLY 4 5.129 11.190 -0.585 26 H HIS 5 H HIS 5 4.684 7.826 0.449 27 HA HIS 5 HA HIS 5 5.289 8.661 3.258 28 1HB HIS 5 2HB HIS 5 3.213 7.504 3.888 29 2HB HIS 5 1HB HIS 5 2.867 8.737 2.684 30 HD1 HIS 5 HD1 HIS 5 4.383 5.953 0.894 31 HD2 HIS 5 HD2 HIS 5 0.568 6.775 2.261 32 HE1 HIS 5 HE1 HIS 5 2.838 4.268 -0.175 33 H GLU 6 H GLU 6 5.079 6.465 4.633 34 HA GLU 6 HA GLU 6 6.859 4.486 3.303 35 1HB GLU 6 2HB GLU 6 6.908 3.519 5.621 36 2HB GLU 6 1HB GLU 6 7.465 5.191 5.561 37 1HG GLU 6 2HG GLU 6 4.621 5.191 5.908 38 2HG GLU 6 1HG GLU 6 5.331 4.115 7.110 39 H CYS 7 HN CNP 7 5.846 2.701 2.416 40 HA CYS 7 HA CNP 7 3.085 2.436 2.138 41 1HB CYS 7 2HB CNP 7 4.811 1.125 0.944 42 2HB CYS 7 1HB CNP 7 5.114 0.190 2.403 43 H GLN 8 H GLN 8 1.602 2.468 3.771 44 HA GLN 8 HA GLN 8 2.297 0.989 6.296 45 1HB GLN 8 2HB GLN 8 0.624 3.436 5.685 46 2HB GLN 8 1HB GLN 8 0.594 2.636 7.257 47 1HG GLN 8 2HG GLN 8 3.323 3.043 6.369 48 2HG GLN 8 1HG GLN 8 2.441 4.570 6.393 49 1HE2 GLN 8 2HE2 GLN 8 3.571 4.384 9.835 50 2HE2 GLN 8 1HE2 GLN 8 4.101 4.878 8.299 51 H CYS 9 HN CAG 9 1.061 -0.266 3.941 52 HA CYS 9 HA CAG 9 -1.796 -0.526 4.399 53 1HB CYS 9 2HB CAG 9 0.395 -1.846 2.852 54 2HB CYS 9 1HB CAG 9 -1.196 -2.613 2.895 55 H GLN 10 H GLN 10 -2.845 -2.170 5.609 56 HA GLN 10 HA GLN 10 -1.166 -3.574 7.601 57 1HB GLN 10 2HB GLN 10 -3.858 -2.548 7.333 58 2HB GLN 10 1HB GLN 10 -3.912 -4.238 7.838 59 1HG GLN 10 2HG GLN 10 -2.323 -3.731 9.671 60 2HG GLN 10 1HG GLN 10 -2.313 -2.036 9.181 61 1HE2 GLN 10 2HE2 GLN 10 -4.909 -1.714 11.609 62 2HE2 GLN 10 1HE2 GLN 10 -3.261 -1.441 11.300 63 H CYS 11 HN CNP 11 -1.409 -4.302 4.605 64 HA CYS 11 HA CNP 11 -2.644 -6.949 4.643 65 1HB CYS 11 2HB CNP 11 -0.968 -5.749 2.457 66 2HB CYS 11 1HB CNP 11 -2.400 -6.728 2.341 67 H GLY 12 H GLY 12 -0.985 -8.345 3.026 68 1HA GLY 12 2HA GLY 12 1.525 -8.645 4.615 69 2HA GLY 12 1HA GLY 12 0.724 -9.975 3.767 70 H SER 13 H SER 13 0.125 -7.868 1.582 71 HA SER 13 HA SER 13 2.389 -8.512 -0.122 72 1HB SER 13 2HB SER 13 0.169 -8.348 -1.043 73 2HB SER 13 1HB SER 13 -0.068 -6.750 -0.339 74 HG SER 13 HG SER 13 0.540 -6.884 -2.650 75 H CYS 14 HN CAG 14 1.358 -5.694 1.782 76 HA CYS 14 HA CAG 14 3.468 -3.991 0.668 77 1HB CYS 14 2HB CAG 14 1.241 -3.790 2.717 78 2HB CYS 14 1HB CAG 14 2.404 -2.528 2.491 79 H LYS 15 H LYS 15 2.555 -5.531 3.727 80 HA LYS 15 HA LYS 15 4.604 -4.696 5.428 81 1HB LYS 15 2HB LYS 15 3.760 -6.382 6.773 82 2HB LYS 15 1HB LYS 15 2.484 -6.340 5.563 83 1HG LYS 15 2HG LYS 15 3.414 -8.229 4.396 84 2HG LYS 15 1HG LYS 15 4.884 -8.183 5.368 85 1HD LYS 15 2HD LYS 15 2.347 -8.410 6.886 86 2HD LYS 15 1HD LYS 15 2.800 -9.818 5.926 87 1HE LYS 15 2HE LYS 15 4.465 -10.365 7.368 88 2HE LYS 15 1HE LYS 15 5.087 -8.703 7.376 89 1HZ LYS 15 1HZ LYS 15 3.251 -8.072 8.832 90 2HZ LYS 15 3HZ LYS 15 2.700 -9.675 8.859 91 3HZ LYS 15 2HZ LYS 15 4.202 -9.284 9.548 92 H ASN 16 H ASN 16 4.720 -7.370 3.045 93 HA ASN 16 HA ASN 16 7.651 -7.638 3.612 94 1HB ASN 16 2HB ASN 16 5.785 -9.510 3.814 95 2HB ASN 16 1HB ASN 16 6.027 -9.630 2.072 96 1HD2 ASN 16 2HD2 ASN 16 8.967 -10.903 4.612 97 2HD2 ASN 16 1HD2 ASN 16 7.637 -10.039 5.215 98 H ASN 17 H ASN 17 5.521 -8.249 0.780 99 HA ASN 17 HA ASN 17 7.446 -8.007 -1.233 100 1HB ASN 17 2HB ASN 17 4.723 -8.312 -1.049 101 2HB ASN 17 1HB ASN 17 4.852 -6.725 -1.809 102 1HD2 ASN 17 2HD2 ASN 17 5.754 -8.061 -4.929 103 2HD2 ASN 17 1HD2 ASN 17 5.203 -6.726 -4.037 104 H GLU 18 H GLU 18 8.960 -6.375 -1.115 105 HA GLU 18 HA GLU 18 8.203 -3.618 -0.491 106 1HB GLU 18 2HB GLU 18 10.653 -3.267 -0.913 107 2HB GLU 18 1HB GLU 18 10.336 -4.568 0.236 108 1HG GLU 18 2HG GLU 18 10.273 -5.764 -2.321 109 2HG GLU 18 1HG GLU 18 11.678 -4.697 -2.321 110 H GLN 19 H GLN 19 7.597 -5.378 -3.133 111 HA GLN 19 HA GLN 19 8.622 -3.614 -5.220 112 1HB GLN 19 2HB GLN 19 7.277 -6.166 -4.935 113 2HB GLN 19 1HB GLN 19 6.547 -5.211 -6.226 114 1HG GLN 19 2HG GLN 19 9.486 -5.133 -6.218 115 2HG GLN 19 1HG GLN 19 8.819 -6.742 -6.500 116 1HE2 GLN 19 2HE2 GLN 19 7.169 -5.758 -9.565 117 2HE2 GLN 19 1HE2 GLN 19 6.973 -6.776 -8.221 118 H CYS 20 HN CAG 20 5.933 -3.670 -3.186 119 HA CYS 20 HA CAG 20 4.513 -1.632 -4.842 120 1HB CYS 20 2HB CAG 20 2.501 -2.586 -3.897 121 2HB CYS 20 1HB CAG 20 3.504 -3.910 -4.481 122 H GLN 21 H GLN 21 6.304 -2.114 -2.024 123 HA GLN 21 HA GLN 21 4.897 -0.117 -0.349 124 1HB GLN 21 2HB GLN 21 6.347 -0.901 1.312 125 2HB GLN 21 1HB GLN 21 6.164 -2.320 0.285 126 1HG GLN 21 2HG GLN 21 8.269 -1.806 -0.854 127 2HG GLN 21 1HG GLN 21 8.440 -0.327 0.089 128 1HE2 GLN 21 2HE2 GLN 21 8.521 -3.574 2.554 129 2HE2 GLN 21 1HE2 GLN 21 7.163 -3.261 1.584 130 H LYS 22 H LYS 22 6.413 0.340 -3.037 131 HA LYS 22 HA LYS 22 8.592 2.132 -2.298 132 1HB LYS 22 2HB LYS 22 7.291 1.310 -4.880 133 2HB LYS 22 1HB LYS 22 8.699 2.370 -4.797 134 1HG LYS 22 2HG LYS 22 10.094 0.677 -3.991 135 2HG LYS 22 1HG LYS 22 8.744 -0.277 -3.375 136 1HD LYS 22 2HD LYS 22 9.728 -1.279 -5.425 137 2HD LYS 22 1HD LYS 22 8.043 -0.813 -5.661 138 1HE LYS 22 2HE LYS 22 8.885 1.380 -6.632 139 2HE LYS 22 1HE LYS 22 10.513 0.673 -6.612 140 1HZ LYS 22 3HZ LYS 22 9.138 -1.333 -7.658 141 2HZ LYS 22 2HZ LYS 22 8.202 -0.041 -8.238 142 3HZ LYS 22 1HZ LYS 22 9.858 -0.128 -8.609 143 H SER 23 H SER 23 5.928 2.645 -4.453 144 HA SER 23 HA SER 23 5.519 5.354 -3.235 145 1HB SER 23 2HB SER 23 5.409 4.887 -6.203 146 2HB SER 23 1HB SER 23 5.736 6.384 -5.333 147 HG SER 23 HG SER 23 7.613 5.348 -6.270 148 H CYS 24 HN CNP 24 3.777 3.319 -2.600 149 HA CYS 24 HA CNP 24 1.456 3.332 -4.368 150 1HB CYS 24 2HB CNP 24 0.881 1.583 -2.986 151 2HB CYS 24 1HB CNP 24 2.598 1.605 -2.708 152 H SER 25 H SER 25 -0.180 4.842 -4.232 153 HA SER 25 HA SER 25 0.110 7.045 -2.319 154 1HB SER 25 2HB SER 25 -2.110 6.413 -4.295 155 2HB SER 25 1HB SER 25 -1.747 7.987 -3.593 156 HG SER 25 HG SER 25 -0.840 7.170 -5.809 157 H CYS 26 HN CAG 26 -0.776 4.146 -1.489 158 HA CYS 26 HA CAG 26 -3.402 4.140 -0.528 159 1HB CYS 26 2HB CAG 26 -0.705 3.104 0.277 160 2HB CYS 26 1HB CAG 26 -2.069 2.865 1.367 161 HA PRO 27 HA PRO 27 -2.910 7.746 2.146 162 1HB PRO 27 2HB PRO 27 -5.528 7.812 2.968 163 2HB PRO 27 1HB PRO 27 -4.990 8.499 1.421 164 1HG PRO 27 2HG PRO 27 -6.265 5.857 1.974 165 2HG PRO 27 1HG PRO 27 -6.568 7.000 0.654 166 1HD PRO 27 2HD PRO 27 -5.064 4.788 0.311 167 2HD PRO 27 1HD PRO 27 -4.723 6.306 -0.554 168 H THR 28 H THR 28 -1.641 6.754 3.650 169 HA THR 28 HA THR 28 -1.655 4.614 5.159 170 HB THR 28 HB THR 28 -0.783 6.063 7.070 171 HG1 THR 28 HG1 THR 28 -2.301 7.817 6.279 172 1HG2 THR 28 3HG2 THR 28 0.149 6.628 4.243 173 2HG2 THR 28 2HG2 THR 28 1.107 6.887 5.702 174 3HG2 THR 28 1HG2 THR 28 0.633 5.253 5.235 175 H GLY 29 H GLY 29 -3.756 4.170 4.942 176 1HA GLY 29 2HA GLY 29 -5.200 4.022 7.430 177 2HA GLY 29 1HA GLY 29 -6.079 4.898 6.168 178 H CYS 30 HN CAG 30 -4.447 3.058 4.137 179 HA CYS 30 HA CAG 30 -6.530 1.279 3.516 180 1HB CYS 30 2HB CAG 30 -4.391 1.998 2.275 181 2HB CYS 30 1HB CAG 30 -3.598 0.680 3.133 182 H ASN 31 H ASN 31 -7.385 -0.217 4.859 183 HA ASN 31 HA ASN 31 -5.534 -2.103 6.260 184 1HB ASN 31 2HB ASN 31 -7.030 -1.902 8.249 185 2HB ASN 31 1HB ASN 31 -6.264 -0.367 7.840 186 1HD2 ASN 31 2HD2 ASN 31 -9.476 1.092 7.878 187 2HD2 ASN 31 1HD2 ASN 31 -7.902 1.092 8.513 188 H SER 32 H SER 32 -7.200 -2.301 3.790 189 HA SER 32 HA SER 32 -8.899 -4.611 4.649 190 1HB SER 32 2HB SER 32 -10.383 -2.745 4.305 191 2HB SER 32 1HB SER 32 -9.556 -2.286 2.819 192 HG SER 32 HG SER 32 -11.634 -3.674 2.850 193 H ASP 33 H ASP 33 -9.146 -6.231 2.961 194 HA ASP 33 HA ASP 33 -6.799 -6.436 1.212 195 1HB ASP 33 2HB ASP 33 -9.213 -8.164 1.821 196 2HB ASP 33 1HB ASP 33 -7.941 -8.658 0.703 197 H ASP 34 H ASP 34 -10.323 -6.045 0.796 198 HA ASP 34 HA ASP 34 -9.983 -5.872 -2.124 199 1HB ASP 34 2HB ASP 34 -12.507 -5.582 -0.473 200 2HB ASP 34 1HB ASP 34 -12.395 -6.024 -2.179 201 H LYS 35 H LYS 35 -8.919 -3.930 -0.319 202 HA LYS 35 HA LYS 35 -10.049 -1.524 -1.607 203 1HB LYS 35 2HB LYS 35 -10.717 -2.076 0.940 204 2HB LYS 35 1HB LYS 35 -9.135 -1.359 1.243 205 1HG LYS 35 2HG LYS 35 -9.784 0.732 0.497 206 2HG LYS 35 1HG LYS 35 -10.990 0.076 -0.610 207 1HD LYS 35 2HD LYS 35 -12.146 -0.720 1.638 208 2HD LYS 35 1HD LYS 35 -11.206 0.603 2.331 209 1HE LYS 35 2HE LYS 35 -12.332 1.640 -0.046 210 2HE LYS 35 1HE LYS 35 -13.636 0.759 0.775 211 1HZ LYS 35 1HZ LYS 35 -12.472 1.886 2.857 212 2HZ LYS 35 3HZ LYS 35 -12.088 3.057 1.693 213 3HZ LYS 35 2HZ LYS 35 -13.713 2.657 1.989 214 H CYS 36 HN CAG 36 -7.870 -3.335 -1.996 215 HA CYS 36 HA CAG 36 -5.569 -1.438 -1.761 216 1HB CYS 36 2HB CAG 36 -5.770 -3.491 -0.176 217 2HB CYS 36 1HB CAG 36 -5.312 -4.395 -1.602 218 HA PRO 37 HA PRO 37 -5.875 -3.271 -5.890 219 1HB PRO 37 2HB PRO 37 -6.714 -1.021 -7.256 220 2HB PRO 37 1HB PRO 37 -7.827 -2.220 -6.570 221 1HG PRO 37 2HG PRO 37 -7.301 0.496 -5.685 222 2HG PRO 37 1HG PRO 37 -8.599 -0.607 -5.217 223 1HD PRO 37 2HD PRO 37 -6.181 0.053 -3.786 224 2HD PRO 37 1HD PRO 37 -7.577 -0.910 -3.251 225 H CYS 38 HN CAG 38 -3.817 -2.258 -4.245 226 HA CYS 38 HA CAG 38 -2.231 -0.303 -5.769 227 1HB CYS 38 2HB CAG 38 -2.107 -0.139 -3.494 228 2HB CYS 38 1HB CAG 38 -2.084 -1.869 -3.222 229 H GLY 39 H GLY 39 -0.605 -0.667 -6.936 230 1HA GLY 39 2HA GLY 39 0.561 -3.386 -7.241 231 2HA GLY 39 1HA GLY 39 -0.011 -2.547 -8.690 232 H ASN 40 HN ASN 40 1.058 -0.316 -6.404 233 HA ASN 40 HA ASN 40 3.899 -0.385 -7.289 234 1HB ASN 40 2HB ASN 40 3.563 2.061 -8.030 235 2HB ASN 40 1HB ASN 40 2.892 0.816 -9.085 236 1HD2 ASN 40 2HD2 ASN 40 0.281 3.038 -6.799 237 2HD2 ASN 40 1HD2 ASN 40 1.874 2.822 -6.253 Start of MODEL 2 1 1H GLN 1 1H GLN 1 0.363 11.568 1.894 2 2H GLN 1 3H GLN 1 -0.512 12.924 2.416 3 3H GLN 1 2H GLN 1 -0.897 11.383 3.018 4 HA GLN 1 HA GLN 1 -2.345 11.060 1.374 5 1HB GLN 1 2HB GLN 1 -2.468 13.556 1.656 6 2HB GLN 1 1HB GLN 1 -1.311 13.718 0.336 7 1HG GLN 1 2HG GLN 1 -3.087 13.705 -1.057 8 2HG GLN 1 1HG GLN 1 -3.240 11.988 -0.685 9 1HE2 GLN 1 2HE2 GLN 1 -6.457 13.802 0.154 10 2HE2 GLN 1 1HE2 GLN 1 -5.506 13.740 -1.251 11 H ASN 2 H ASN 2 0.623 12.482 -0.051 12 HA ASN 2 HA ASN 2 0.388 11.205 -2.604 13 1HB ASN 2 2HB ASN 2 2.792 11.827 -2.756 14 2HB ASN 2 1HB ASN 2 1.822 13.143 -2.094 15 1HD2 ASN 2 2HD2 ASN 2 4.341 13.205 0.434 16 2HD2 ASN 2 1HD2 ASN 2 3.780 13.969 -0.976 17 H GLU 3 H GLU 3 2.450 9.675 -3.217 18 HA GLU 3 HA GLU 3 2.226 7.335 -1.363 19 1HB GLU 3 2HB GLU 3 2.883 6.075 -3.435 20 2HB GLU 3 1HB GLU 3 1.451 7.067 -3.702 21 1HG GLU 3 2HG GLU 3 2.492 8.313 -5.260 22 2HG GLU 3 1HG GLU 3 3.881 8.578 -4.206 23 H GLY 4 H GLY 4 3.985 9.548 -0.925 24 1HA GLY 4 2HA GLY 4 6.683 8.311 -1.320 25 2HA GLY 4 1HA GLY 4 6.409 10.017 -0.920 26 H HIS 5 H HIS 5 5.058 7.025 0.345 27 HA HIS 5 HA HIS 5 5.903 7.853 3.111 28 1HB HIS 5 2HB HIS 5 3.655 7.045 3.768 29 2HB HIS 5 1HB HIS 5 3.536 8.303 2.540 30 HD1 HIS 5 HD1 HIS 5 4.666 5.325 0.832 31 HD2 HIS 5 HD2 HIS 5 0.958 6.683 2.096 32 HE1 HIS 5 HE1 HIS 5 2.941 3.931 -0.335 33 H GLU 6 H GLU 6 5.023 5.742 4.521 34 HA GLU 6 HA GLU 6 6.694 3.480 3.569 35 1HB GLU 6 2HB GLU 6 6.181 2.648 5.897 36 2HB GLU 6 1HB GLU 6 6.982 4.219 5.874 37 1HG GLU 6 2HG GLU 6 4.140 4.614 5.692 38 2HG GLU 6 1HG GLU 6 4.489 3.565 7.065 39 H CYS 7 HN CNP 7 5.669 1.674 2.694 40 HA CYS 7 HA CNP 7 3.016 1.658 1.824 41 1HB CYS 7 2HB CNP 7 4.724 0.042 1.137 42 2HB CYS 7 1HB CNP 7 4.741 -0.667 2.749 43 H GLN 8 H GLN 8 1.325 2.176 3.200 44 HA GLN 8 HA GLN 8 1.298 0.891 5.902 45 1HB GLN 8 2HB GLN 8 0.362 3.410 4.664 46 2HB GLN 8 1HB GLN 8 -0.730 2.719 5.864 47 1HG GLN 8 2HG GLN 8 2.200 3.390 6.259 48 2HG GLN 8 1HG GLN 8 0.823 4.210 6.996 49 1HE2 GLN 8 2HE2 GLN 8 2.238 1.598 9.354 50 2HE2 GLN 8 1HE2 GLN 8 2.962 2.870 8.493 51 H CYS 9 HN CAG 9 0.490 -0.442 3.281 52 HA CYS 9 HA CAG 9 -2.414 -0.673 3.353 53 1HB CYS 9 2HB CAG 9 -0.060 -2.050 2.089 54 2HB CYS 9 1HB CAG 9 -1.713 -2.599 1.775 55 H GLN 10 H GLN 10 -3.588 -2.252 4.494 56 HA GLN 10 HA GLN 10 -2.094 -3.918 6.437 57 1HB GLN 10 2HB GLN 10 -4.751 -2.748 6.096 58 2HB GLN 10 1HB GLN 10 -4.841 -4.438 6.597 59 1HG GLN 10 2HG GLN 10 -2.833 -3.491 8.210 60 2HG GLN 10 1HG GLN 10 -3.892 -2.084 8.096 61 1HE2 GLN 10 2HE2 GLN 10 -5.031 -5.249 10.331 62 2HE2 GLN 10 1HE2 GLN 10 -3.503 -5.169 9.597 63 H CYS 11 HN CNP 11 -2.443 -4.269 3.328 64 HA CYS 11 HA CNP 11 -3.802 -6.788 2.977 65 1HB CYS 11 2HB CNP 11 -1.779 -5.365 1.238 66 2HB CYS 11 1HB CNP 11 -3.090 -6.402 0.738 67 H GLY 12 H GLY 12 -2.018 -8.113 1.353 68 1HA GLY 12 2HA GLY 12 0.180 -8.886 3.225 69 2HA GLY 12 1HA GLY 12 -0.682 -10.055 2.222 70 H SER 13 H SER 13 -0.686 -7.818 0.076 71 HA SER 13 HA SER 13 1.857 -8.664 -1.173 72 1HB SER 13 2HB SER 13 -0.738 -8.173 -2.018 73 2HB SER 13 1HB SER 13 0.131 -6.743 -2.571 74 HG SER 13 HG SER 13 1.218 -9.313 -2.946 75 H CYS 14 HN CAG 14 0.331 -5.722 0.111 76 HA CYS 14 HA CAG 14 2.513 -3.996 -0.787 77 1HB CYS 14 2HB CAG 14 0.164 -3.485 1.067 78 2HB CYS 14 1HB CAG 14 1.030 -2.345 0.086 79 H LYS 15 H LYS 15 0.971 -4.730 2.326 80 HA LYS 15 HA LYS 15 2.557 -3.654 4.226 81 1HB LYS 15 2HB LYS 15 1.785 -5.386 5.621 82 2HB LYS 15 1HB LYS 15 0.646 -5.446 4.279 83 1HG LYS 15 2HG LYS 15 1.757 -7.327 3.298 84 2HG LYS 15 1HG LYS 15 3.143 -7.160 4.375 85 1HD LYS 15 2HD LYS 15 0.523 -7.468 5.719 86 2HD LYS 15 1HD LYS 15 1.099 -8.883 4.839 87 1HE LYS 15 2HE LYS 15 2.955 -9.155 6.213 88 2HE LYS 15 1HE LYS 15 3.023 -7.431 6.631 89 1HZ LYS 15 1HZ LYS 15 0.824 -9.265 7.423 90 2HZ LYS 15 3HZ LYS 15 2.109 -8.827 8.441 91 3HZ LYS 15 2HZ LYS 15 1.016 -7.645 7.897 92 H ASN 16 H ASN 16 3.549 -6.371 2.168 93 HA ASN 16 HA ASN 16 6.353 -5.987 3.148 94 1HB ASN 16 2HB ASN 16 5.186 -7.910 4.256 95 2HB ASN 16 1HB ASN 16 4.944 -8.631 2.665 96 1HD2 ASN 16 2HD2 ASN 16 8.191 -9.807 4.326 97 2HD2 ASN 16 1HD2 ASN 16 6.628 -9.635 4.965 98 H ASN 17 H ASN 17 6.622 -4.818 1.080 99 HA ASN 17 HA ASN 17 7.388 -6.613 -1.125 100 1HB ASN 17 2HB ASN 17 4.829 -5.226 -0.987 101 2HB ASN 17 1HB ASN 17 5.751 -4.753 -2.415 102 1HD2 ASN 17 2HD2 ASN 17 5.223 -7.821 -4.060 103 2HD2 ASN 17 1HD2 ASN 17 5.802 -6.228 -4.146 104 H GLU 18 H GLU 18 9.416 -5.767 -1.384 105 HA GLU 18 HA GLU 18 10.056 -2.991 -0.959 106 1HB GLU 18 2HB GLU 18 11.561 -5.101 -2.528 107 2HB GLU 18 1HB GLU 18 12.250 -3.680 -1.743 108 1HG GLU 18 2HG GLU 18 11.391 -4.587 0.454 109 2HG GLU 18 1HG GLU 18 10.970 -6.073 -0.398 110 H GLN 19 H GLN 19 8.352 -4.435 -3.397 111 HA GLN 19 HA GLN 19 9.402 -2.809 -5.605 112 1HB GLN 19 2HB GLN 19 7.048 -4.677 -5.305 113 2HB GLN 19 1HB GLN 19 7.530 -3.943 -6.834 114 1HG GLN 19 2HG GLN 19 9.769 -5.224 -5.454 115 2HG GLN 19 1HG GLN 19 8.472 -6.356 -5.835 116 1HE2 GLN 19 2HE2 GLN 19 10.777 -4.869 -8.820 117 2HE2 GLN 19 1HE2 GLN 19 11.046 -4.443 -7.199 118 H CYS 20 HN CAG 20 6.642 -2.957 -3.568 119 HA CYS 20 HA CAG 20 5.796 -0.229 -4.415 120 1HB CYS 20 2HB CAG 20 3.549 -1.069 -4.252 121 2HB CYS 20 1HB CAG 20 4.472 -2.264 -5.151 122 H GLN 21 H GLN 21 7.483 -1.432 -2.076 123 HA GLN 21 HA GLN 21 5.921 -1.099 0.336 124 1HB GLN 21 2HB GLN 21 8.617 -1.758 -0.516 125 2HB GLN 21 1HB GLN 21 8.650 -0.678 0.877 126 1HG GLN 21 2HG GLN 21 6.599 -2.676 1.241 127 2HG GLN 21 1HG GLN 21 8.141 -3.455 0.891 128 1HE2 GLN 21 2HE2 GLN 21 9.488 -2.720 4.059 129 2HE2 GLN 21 1HE2 GLN 21 9.642 -3.561 2.592 130 H LYS 22 H LYS 22 6.775 1.246 -1.889 131 HA LYS 22 HA LYS 22 6.441 3.354 0.140 132 1HB LYS 22 2HB LYS 22 8.656 4.379 -0.636 133 2HB LYS 22 1HB LYS 22 8.745 2.976 0.426 134 1HG LYS 22 2HG LYS 22 8.619 1.931 -2.187 135 2HG LYS 22 1HG LYS 22 9.745 3.283 -2.274 136 1HD LYS 22 2HD LYS 22 9.875 0.978 -0.307 137 2HD LYS 22 1HD LYS 22 10.955 1.238 -1.677 138 1HE LYS 22 2HE LYS 22 11.679 3.403 -0.670 139 2HE LYS 22 1HE LYS 22 10.656 3.062 0.737 140 1HZ LYS 22 1HZ LYS 22 12.244 0.804 0.023 141 2HZ LYS 22 3HZ LYS 22 13.221 2.155 0.336 142 3HZ LYS 22 2HZ LYS 22 12.129 1.606 1.515 143 H SER 23 H SER 23 5.597 2.366 -2.812 144 HA SER 23 HA SER 23 5.517 5.178 -3.801 145 1HB SER 23 2HB SER 23 6.030 2.641 -5.371 146 2HB SER 23 1HB SER 23 5.831 4.232 -6.103 147 HG SER 23 HG SER 23 7.839 4.581 -5.640 148 H CYS 24 HN CNP 24 3.438 3.756 -2.410 149 HA CYS 24 HA CNP 24 1.313 3.685 -4.460 150 1HB CYS 24 2HB CNP 24 0.433 1.977 -3.189 151 2HB CYS 24 1HB CNP 24 2.128 1.667 -3.034 152 H SER 25 H SER 25 -0.294 5.213 -4.219 153 HA SER 25 HA SER 25 0.154 7.382 -2.357 154 1HB SER 25 2HB SER 25 -2.253 6.725 -4.083 155 2HB SER 25 1HB SER 25 -1.825 8.311 -3.446 156 HG SER 25 HG SER 25 -0.770 8.469 -5.263 157 H CYS 26 HN CAG 26 -0.798 4.475 -1.400 158 HA CYS 26 HA CAG 26 -3.310 4.714 -0.163 159 1HB CYS 26 2HB CAG 26 -0.689 3.362 0.335 160 2HB CYS 26 1HB CAG 26 -1.930 3.282 1.579 161 HA PRO 27 HA PRO 27 -2.282 8.131 2.563 162 1HB PRO 27 2HB PRO 27 -4.749 8.254 3.756 163 2HB PRO 27 1HB PRO 27 -4.416 8.976 2.167 164 1HG PRO 27 2HG PRO 27 -5.705 6.368 2.827 165 2HG PRO 27 1HG PRO 27 -6.143 7.559 1.591 166 1HD PRO 27 2HD PRO 27 -4.790 5.298 0.995 167 2HD PRO 27 1HD PRO 27 -4.529 6.821 0.113 168 H THR 28 H THR 28 -0.853 6.968 3.814 169 HA THR 28 HA THR 28 -0.786 4.808 5.278 170 HB THR 28 HB THR 28 0.283 6.368 7.160 171 HG1 THR 28 HG1 THR 28 -0.924 8.142 5.880 172 1HG2 THR 28 1HG2 THR 28 1.095 5.489 4.485 173 2HG2 THR 28 3HG2 THR 28 2.023 6.867 5.076 174 3HG2 THR 28 2HG2 THR 28 1.962 5.377 6.016 175 H GLY 29 H GLY 29 -2.973 4.558 5.379 176 1HA GLY 29 2HA GLY 29 -3.978 4.435 8.075 177 2HA GLY 29 1HA GLY 29 -4.966 5.444 7.009 178 H CYS 30 HN CAG 30 -3.796 3.426 4.736 179 HA CYS 30 HA CAG 30 -6.159 1.976 4.348 180 1HB CYS 30 2HB CAG 30 -4.010 2.362 2.959 181 2HB CYS 30 1HB CAG 30 -3.431 0.885 3.714 182 H ASN 31 H ASN 31 -7.073 0.807 5.961 183 HA ASN 31 HA ASN 31 -5.408 -1.275 7.350 184 1HB ASN 31 2HB ASN 31 -7.535 0.642 8.179 185 2HB ASN 31 1HB ASN 31 -7.589 -0.955 8.925 186 1HD2 ASN 31 2HD2 ASN 31 -5.287 1.356 10.865 187 2HD2 ASN 31 1HD2 ASN 31 -6.884 1.538 10.319 188 H SER 32 H SER 32 -8.884 -0.682 6.754 189 HA SER 32 HA SER 32 -9.298 -3.561 6.165 190 1HB SER 32 2HB SER 32 -11.504 -1.606 5.902 191 2HB SER 32 1HB SER 32 -11.439 -3.098 6.836 192 HG SER 32 HG SER 32 -11.463 -0.942 7.970 193 H ASP 33 H ASP 33 -8.179 -3.655 4.133 194 HA ASP 33 HA ASP 33 -9.790 -2.637 1.868 195 1HB ASP 33 2HB ASP 33 -6.890 -2.011 2.456 196 2HB ASP 33 1HB ASP 33 -7.612 -1.789 0.862 197 H ASP 34 H ASP 34 -10.125 -5.024 1.928 198 HA ASP 34 HA ASP 34 -7.866 -6.689 1.057 199 1HB ASP 34 2HB ASP 34 -9.387 -7.596 2.735 200 2HB ASP 34 1HB ASP 34 -10.777 -7.244 1.708 201 H LYS 35 H LYS 35 -8.931 -4.564 -0.527 202 HA LYS 35 HA LYS 35 -9.414 -6.061 -3.031 203 1HB LYS 35 2HB LYS 35 -11.307 -4.466 -1.664 204 2HB LYS 35 1HB LYS 35 -10.707 -3.445 -2.972 205 1HG LYS 35 2HG LYS 35 -11.194 -6.173 -3.873 206 2HG LYS 35 1HG LYS 35 -12.649 -5.437 -3.202 207 1HD LYS 35 2HD LYS 35 -12.846 -4.556 -5.301 208 2HD LYS 35 1HD LYS 35 -11.703 -3.365 -4.681 209 1HE LYS 35 2HE LYS 35 -10.115 -4.057 -6.140 210 2HE LYS 35 1HE LYS 35 -10.304 -5.741 -5.609 211 1HZ LYS 35 1HZ LYS 35 -12.420 -5.765 -6.915 212 2HZ LYS 35 3HZ LYS 35 -11.965 -4.275 -7.584 213 3HZ LYS 35 2HZ LYS 35 -11.011 -5.654 -7.858 214 H CYS 36 HN CAG 36 -7.172 -5.012 -1.647 215 HA CYS 36 HA CAG 36 -6.208 -2.942 -3.561 216 1HB CYS 36 2HB CAG 36 -6.634 -2.277 -1.119 217 2HB CYS 36 1HB CAG 36 -5.247 -3.289 -0.745 218 HA PRO 37 HA PRO 37 -3.289 -6.329 -3.604 219 1HB PRO 37 2HB PRO 37 -3.775 -7.040 -6.246 220 2HB PRO 37 1HB PRO 37 -4.615 -7.751 -4.855 221 1HG PRO 37 2HG PRO 37 -5.708 -6.034 -6.874 222 2HG PRO 37 1HG PRO 37 -6.529 -6.783 -5.500 223 1HD PRO 37 2HD PRO 37 -5.507 -4.049 -5.798 224 2HD PRO 37 1HD PRO 37 -6.767 -4.695 -4.717 225 H CYS 38 HN CAG 38 -3.074 -3.570 -3.711 226 HA CYS 38 HA CAG 38 -1.791 -2.448 -5.993 227 1HB CYS 38 2HB CAG 38 -2.593 -0.946 -4.536 228 2HB CYS 38 1HB CAG 38 -2.314 -1.948 -3.129 229 H GLY 39 H GLY 39 0.133 -2.424 -6.643 230 1HA GLY 39 2HA GLY 39 2.410 -3.378 -5.003 231 2HA GLY 39 1HA GLY 39 2.115 -4.196 -6.543 232 H ASN 40 HN ASN 40 1.134 -0.949 -6.573 233 HA ASN 40 HA ASN 40 3.396 -0.257 -8.371 234 1HB ASN 40 2HB ASN 40 1.914 1.812 -8.681 235 2HB ASN 40 1HB ASN 40 1.201 0.276 -9.167 236 1HD2 ASN 40 2HD2 ASN 40 -0.138 1.959 -5.650 237 2HD2 ASN 40 1HD2 ASN 40 1.472 2.217 -6.121 Start of MODEL 3 1 1H GLN 1 2H GLN 1 -2.409 10.801 -6.075 2 2H GLN 1 1H GLN 1 -2.811 9.695 -7.300 3 3H GLN 1 3H GLN 1 -2.675 9.167 -5.695 4 HA GLN 1 HA GLN 1 -0.688 8.479 -6.766 5 1HB GLN 1 2HB GLN 1 -0.959 11.262 -7.891 6 2HB GLN 1 1HB GLN 1 0.593 10.425 -7.940 7 1HG GLN 1 2HG GLN 1 -0.105 8.954 -9.531 8 2HG GLN 1 1HG GLN 1 -1.717 8.807 -8.824 9 1HE2 GLN 1 2HE2 GLN 1 -2.227 10.612 -12.006 10 2HE2 GLN 1 1HE2 GLN 1 -1.804 9.043 -11.518 11 H ASN 2 H ASN 2 -1.573 9.890 -4.208 12 HA ASN 2 HA ASN 2 0.799 11.413 -3.356 13 1HB ASN 2 2HB ASN 2 -1.836 10.526 -2.206 14 2HB ASN 2 1HB ASN 2 -0.588 11.170 -1.138 15 1HD2 ASN 2 2HD2 ASN 2 -2.490 14.148 -2.131 16 2HD2 ASN 2 1HD2 ASN 2 -2.665 12.812 -1.098 17 H GLU 3 H GLU 3 1.527 8.822 -4.182 18 HA GLU 3 HA GLU 3 1.819 7.200 -1.700 19 1HB GLU 3 2HB GLU 3 2.519 5.475 -3.295 20 2HB GLU 3 1HB GLU 3 1.076 6.263 -3.935 21 1HG GLU 3 2HG GLU 3 2.885 7.865 -5.051 22 2HG GLU 3 1HG GLU 3 3.904 6.437 -4.878 23 H GLY 4 H GLY 4 3.228 9.678 -1.994 24 1HA GLY 4 2HA GLY 4 6.061 8.873 -2.405 25 2HA GLY 4 1HA GLY 4 5.497 10.520 -2.056 26 H HIS 5 H HIS 5 4.946 7.355 -0.535 27 HA HIS 5 HA HIS 5 5.905 8.518 2.057 28 1HB HIS 5 2HB HIS 5 3.826 7.709 3.061 29 2HB HIS 5 1HB HIS 5 3.447 8.749 1.693 30 HD1 HIS 5 HD1 HIS 5 4.531 5.682 0.172 31 HD2 HIS 5 HD2 HIS 5 1.000 6.860 1.979 32 HE1 HIS 5 HE1 HIS 5 2.777 3.962 -0.413 33 H GLU 6 H GLU 6 5.580 6.595 3.768 34 HA GLU 6 HA GLU 6 7.124 4.293 2.706 35 1HB GLU 6 2HB GLU 6 7.202 3.721 5.163 36 2HB GLU 6 1HB GLU 6 7.904 5.293 4.777 37 1HG GLU 6 2HG GLU 6 5.076 5.586 5.232 38 2HG GLU 6 1HG GLU 6 5.810 4.750 6.600 39 H CYS 7 HN CNP 7 5.986 2.494 2.156 40 HA CYS 7 HA CNP 7 3.221 2.276 2.015 41 1HB CYS 7 2HB CNP 7 5.081 0.808 1.114 42 2HB CYS 7 1HB CNP 7 5.089 -0.017 2.661 43 H GLN 8 H GLN 8 1.758 2.538 3.652 44 HA GLN 8 HA GLN 8 2.530 1.510 6.372 45 1HB GLN 8 2HB GLN 8 1.334 3.969 5.302 46 2HB GLN 8 1HB GLN 8 0.471 3.322 6.697 47 1HG GLN 8 2HG GLN 8 2.116 3.955 8.101 48 2HG GLN 8 1HG GLN 8 3.346 3.189 7.096 49 1HE2 GLN 8 2HE2 GLN 8 3.655 7.018 7.168 50 2HE2 GLN 8 1HE2 GLN 8 3.362 5.921 8.430 51 H CYS 9 HN CAG 9 1.166 -0.107 4.252 52 HA CYS 9 HA CAG 9 -1.635 -0.284 5.179 53 1HB CYS 9 2HB CAG 9 0.123 -1.736 3.209 54 2HB CYS 9 1HB CAG 9 -1.584 -2.124 3.423 55 H GLN 10 H GLN 10 -1.755 -3.192 4.938 56 HA GLN 10 HA GLN 10 0.030 -4.207 7.087 57 1HB GLN 10 2HB GLN 10 -2.871 -3.562 7.272 58 2HB GLN 10 1HB GLN 10 -2.357 -5.072 8.025 59 1HG GLN 10 2HG GLN 10 -0.652 -3.865 9.320 60 2HG GLN 10 1HG GLN 10 -1.121 -2.351 8.547 61 1HE2 GLN 10 2HE2 GLN 10 -3.254 -1.918 11.353 62 2HE2 GLN 10 1HE2 GLN 10 -1.845 -1.387 10.570 63 H CYS 11 HN CNP 11 -1.021 -4.683 4.110 64 HA CYS 11 HA CNP 11 -2.017 -7.411 4.218 65 1HB CYS 11 2HB CNP 11 -0.979 -5.873 1.844 66 2HB CYS 11 1HB CNP 11 -2.277 -7.031 1.918 67 H GLY 12 H GLY 12 -0.823 -8.972 2.687 68 1HA GLY 12 2HA GLY 12 1.915 -9.293 3.589 69 2HA GLY 12 1HA GLY 12 1.094 -10.314 2.402 70 H SER 13 H SER 13 0.348 -7.630 1.039 71 HA SER 13 HA SER 13 2.569 -7.636 -0.854 72 1HB SER 13 2HB SER 13 -0.078 -6.266 -0.496 73 2HB SER 13 1HB SER 13 1.061 -5.626 -1.679 74 HG SER 13 HG SER 13 0.587 -8.383 -1.624 75 H CYS 14 HN CAG 14 1.278 -5.373 1.604 76 HA CYS 14 HA CAG 14 3.451 -3.465 1.128 77 1HB CYS 14 2HB CAG 14 1.059 -3.626 2.998 78 2HB CYS 14 1HB CAG 14 2.111 -2.263 2.845 79 H LYS 15 H LYS 15 2.082 -5.095 3.991 80 HA LYS 15 HA LYS 15 3.991 -4.656 5.908 81 1HB LYS 15 2HB LYS 15 2.946 -6.420 6.997 82 2HB LYS 15 1HB LYS 15 1.783 -6.133 5.707 83 1HG LYS 15 2HG LYS 15 2.879 -7.901 4.352 84 2HG LYS 15 1HG LYS 15 3.992 -8.210 5.684 85 1HD LYS 15 2HD LYS 15 1.799 -8.480 7.098 86 2HD LYS 15 1HD LYS 15 1.040 -8.746 5.528 87 1HE LYS 15 2HE LYS 15 2.016 -10.800 5.274 88 2HE LYS 15 1HE LYS 15 3.558 -10.251 5.961 89 1HZ LYS 15 3HZ LYS 15 1.072 -10.695 7.529 90 2HZ LYS 15 2HZ LYS 15 2.366 -11.795 7.446 91 3HZ LYS 15 1HZ LYS 15 2.591 -10.264 8.148 92 H ASN 16 H ASN 16 4.288 -7.049 3.266 93 HA ASN 16 HA ASN 16 7.133 -7.479 4.140 94 1HB ASN 16 2HB ASN 16 5.193 -9.303 4.234 95 2HB ASN 16 1HB ASN 16 5.602 -9.483 2.528 96 1HD2 ASN 16 2HD2 ASN 16 7.843 -11.837 4.260 97 2HD2 ASN 16 1HD2 ASN 16 6.193 -11.717 3.878 98 H ASN 17 H ASN 17 5.161 -8.068 1.197 99 HA ASN 17 HA ASN 17 7.204 -7.953 -0.704 100 1HB ASN 17 2HB ASN 17 4.366 -7.880 -0.580 101 2HB ASN 17 1HB ASN 17 4.870 -6.605 -1.692 102 1HD2 ASN 17 2HD2 ASN 17 5.026 -9.199 -4.120 103 2HD2 ASN 17 1HD2 ASN 17 4.178 -7.825 -3.596 104 H GLU 18 H GLU 18 8.780 -6.388 -0.435 105 HA GLU 18 HA GLU 18 8.092 -3.585 0.015 106 1HB GLU 18 2HB GLU 18 10.585 -3.353 -0.163 107 2HB GLU 18 1HB GLU 18 10.088 -4.586 0.994 108 1HG GLU 18 2HG GLU 18 10.740 -6.342 -0.383 109 2HG GLU 18 1HG GLU 18 10.572 -5.384 -1.855 110 H GLN 19 H GLN 19 7.627 -5.377 -2.624 111 HA GLN 19 HA GLN 19 8.993 -3.852 -4.673 112 1HB GLN 19 2HB GLN 19 7.003 -6.031 -4.452 113 2HB GLN 19 1HB GLN 19 6.982 -5.115 -5.960 114 1HG GLN 19 2HG GLN 19 9.687 -5.829 -5.057 115 2HG GLN 19 1HG GLN 19 8.672 -7.224 -5.427 116 1HE2 GLN 19 2HE2 GLN 19 10.222 -6.208 -8.639 117 2HE2 GLN 19 1HE2 GLN 19 10.759 -6.855 -7.165 118 H CYS 20 HN CAG 20 5.928 -3.733 -3.149 119 HA CYS 20 HA CAG 20 5.134 -1.351 -4.764 120 1HB CYS 20 2HB CAG 20 2.876 -2.062 -4.283 121 2HB CYS 20 1HB CAG 20 3.770 -3.484 -4.804 122 H GLN 21 H GLN 21 6.676 -1.952 -2.008 123 HA GLN 21 HA GLN 21 5.065 -0.437 -0.082 124 1HB GLN 21 2HB GLN 21 7.693 -1.852 -0.214 125 2HB GLN 21 1HB GLN 21 7.437 -0.696 1.091 126 1HG GLN 21 2HG GLN 21 5.073 -2.268 0.886 127 2HG GLN 21 1HG GLN 21 6.446 -3.377 0.882 128 1HE2 GLN 21 2HE2 GLN 21 7.628 -2.004 4.111 129 2HE2 GLN 21 1HE2 GLN 21 8.278 -2.265 2.564 130 H LYS 22 H LYS 22 6.469 0.734 -2.741 131 HA LYS 22 HA LYS 22 7.482 3.150 -1.298 132 1HB LYS 22 2HB LYS 22 8.779 1.880 -3.718 133 2HB LYS 22 1HB LYS 22 9.425 3.188 -2.727 134 1HG LYS 22 2HG LYS 22 8.856 0.386 -1.713 135 2HG LYS 22 1HG LYS 22 10.450 0.976 -2.182 136 1HD LYS 22 2HD LYS 22 9.195 2.841 -0.360 137 2HD LYS 22 1HD LYS 22 9.227 1.225 0.347 138 1HE LYS 22 2HE LYS 22 11.739 1.308 -0.668 139 2HE LYS 22 1HE LYS 22 11.493 3.032 -0.326 140 1HZ LYS 22 3HZ LYS 22 10.372 1.704 1.805 141 2HZ LYS 22 2HZ LYS 22 11.822 0.871 1.507 142 3HZ LYS 22 1HZ LYS 22 11.846 2.542 1.805 143 H SER 23 H SER 23 5.089 2.237 -3.295 144 HA SER 23 HA SER 23 4.915 4.927 -4.425 145 1HB SER 23 2HB SER 23 5.534 2.487 -6.084 146 2HB SER 23 1HB SER 23 4.693 3.858 -6.803 147 HG SER 23 HG SER 23 6.783 4.352 -7.092 148 H CYS 24 HN CNP 24 3.303 3.260 -2.741 149 HA CYS 24 HA CNP 24 0.878 2.819 -4.359 150 1HB CYS 24 2HB CNP 24 0.488 1.185 -2.796 151 2HB CYS 24 1HB CNP 24 2.217 1.217 -2.748 152 H SER 25 H SER 25 -0.664 4.406 -4.229 153 HA SER 25 HA SER 25 -0.263 6.675 -2.432 154 1HB SER 25 2HB SER 25 -2.450 7.379 -3.549 155 2HB SER 25 1HB SER 25 -1.116 7.042 -4.649 156 HG SER 25 HG SER 25 -2.145 5.340 -5.369 157 H CYS 26 HN CAG 26 -1.023 3.854 -1.365 158 HA CYS 26 HA CAG 26 -3.570 3.762 -0.262 159 1HB CYS 26 2HB CAG 26 -0.772 2.935 0.412 160 2HB CYS 26 1HB CAG 26 -2.011 2.760 1.661 161 HA PRO 27 HA PRO 27 -3.179 7.548 2.180 162 1HB PRO 27 2HB PRO 27 -5.769 7.514 3.100 163 2HB PRO 27 1HB PRO 27 -5.329 8.159 1.504 164 1HG PRO 27 2HG PRO 27 -6.428 5.474 2.220 165 2HG PRO 27 1HG PRO 27 -6.853 6.541 0.869 166 1HD PRO 27 2HD PRO 27 -5.237 4.411 0.540 167 2HD PRO 27 1HD PRO 27 -5.009 5.914 -0.384 168 H THR 28 H THR 28 -1.777 6.557 3.589 169 HA THR 28 HA THR 28 -1.657 4.468 5.138 170 HB THR 28 HB THR 28 -0.562 5.890 6.882 171 HG1 THR 28 HG1 THR 28 -0.616 8.216 6.168 172 1HG2 THR 28 1HG2 THR 28 0.337 5.317 4.507 173 2HG2 THR 28 3HG2 THR 28 0.024 7.015 4.151 174 3HG2 THR 28 2HG2 THR 28 1.157 6.577 5.428 175 H GLY 29 H GLY 29 -3.785 4.018 5.078 176 1HA GLY 29 2HA GLY 29 -5.016 3.846 7.673 177 2HA GLY 29 1HA GLY 29 -6.004 4.723 6.495 178 H CYS 30 HN CAG 30 -4.473 2.841 4.370 179 HA CYS 30 HA CAG 30 -6.555 1.123 3.747 180 1HB CYS 30 2HB CAG 30 -4.333 1.692 2.580 181 2HB CYS 30 1HB CAG 30 -3.630 0.391 3.539 182 H ASN 31 H ASN 31 -7.479 -0.531 4.824 183 HA ASN 31 HA ASN 31 -5.805 -2.355 6.474 184 1HB ASN 31 2HB ASN 31 -7.368 -0.232 7.494 185 2HB ASN 31 1HB ASN 31 -8.272 -1.707 7.840 186 1HD2 ASN 31 2HD2 ASN 31 -5.047 -0.865 10.058 187 2HD2 ASN 31 1HD2 ASN 31 -5.786 0.259 9.022 188 H SER 32 H SER 32 -7.728 -2.232 3.958 189 HA SER 32 HA SER 32 -9.320 -4.662 4.718 190 1HB SER 32 2HB SER 32 -10.982 -3.107 4.347 191 2HB SER 32 1HB SER 32 -9.964 -2.124 3.298 192 HG SER 32 HG SER 32 -11.392 -3.087 1.955 193 H ASP 33 H ASP 33 -9.902 -5.950 2.643 194 HA ASP 33 HA ASP 33 -7.408 -6.333 1.087 195 1HB ASP 33 2HB ASP 33 -9.213 -8.004 2.290 196 2HB ASP 33 1HB ASP 33 -9.775 -8.042 0.619 197 H ASP 34 H ASP 34 -10.831 -5.513 0.555 198 HA ASP 34 HA ASP 34 -10.348 -5.242 -2.337 199 1HB ASP 34 2HB ASP 34 -12.504 -6.061 -0.789 200 2HB ASP 34 1HB ASP 34 -12.965 -4.428 -1.277 201 H LYS 35 H LYS 35 -9.123 -3.569 -0.376 202 HA LYS 35 HA LYS 35 -9.895 -0.951 -1.510 203 1HB LYS 35 2HB LYS 35 -10.678 -1.582 0.972 204 2HB LYS 35 1HB LYS 35 -9.007 -1.162 1.352 205 1HG LYS 35 2HG LYS 35 -9.610 1.006 1.349 206 2HG LYS 35 1HG LYS 35 -9.938 0.866 -0.379 207 1HD LYS 35 2HD LYS 35 -12.235 0.054 0.158 208 2HD LYS 35 1HD LYS 35 -11.900 0.321 1.869 209 1HE LYS 35 2HE LYS 35 -11.849 2.658 1.631 210 2HE LYS 35 1HE LYS 35 -11.511 2.567 -0.109 211 1HZ LYS 35 1HZ LYS 35 -13.801 1.181 0.081 212 2HZ LYS 35 3HZ LYS 35 -14.040 2.349 1.288 213 3HZ LYS 35 2HZ LYS 35 -13.721 2.833 -0.308 214 H CYS 36 HN CAG 36 -7.973 -2.987 -2.057 215 HA CYS 36 HA CAG 36 -5.447 -1.452 -1.655 216 1HB CYS 36 2HB CAG 36 -5.962 -3.658 -0.322 217 2HB CYS 36 1HB CAG 36 -5.506 -4.416 -1.820 218 HA PRO 37 HA PRO 37 -6.001 -2.624 -5.980 219 1HB PRO 37 2HB PRO 37 -6.348 -0.055 -6.943 220 2HB PRO 37 1HB PRO 37 -7.681 -1.109 -6.437 221 1HG PRO 37 2HG PRO 37 -6.694 1.283 -5.155 222 2HG PRO 37 1HG PRO 37 -8.131 0.327 -4.781 223 1HD PRO 37 2HD PRO 37 -5.543 0.348 -3.460 224 2HD PRO 37 1HD PRO 37 -7.089 -0.349 -2.924 225 H CYS 38 HN CAG 38 -3.780 -2.543 -4.398 226 HA CYS 38 HA CAG 38 -1.752 -0.676 -5.327 227 1HB CYS 38 2HB CAG 38 -2.278 -2.141 -3.201 228 2HB CYS 38 1HB CAG 38 -1.227 -3.273 -4.011 229 H GLY 39 H GLY 39 -3.127 -2.830 -6.940 230 1HA GLY 39 2HA GLY 39 -0.913 -4.408 -8.032 231 2HA GLY 39 1HA GLY 39 -2.584 -4.468 -8.597 232 H ASN 40 HN ASN 40 -0.716 -1.479 -8.271 233 HA ASN 40 HA ASN 40 -1.222 -0.862 -11.106 234 1HB ASN 40 2HB ASN 40 -0.391 1.329 -10.444 235 2HB ASN 40 1HB ASN 40 -1.472 0.742 -9.180 236 1HD2 ASN 40 1HD2 ASN 40 -0.528 0.138 -7.118 237 2HD2 ASN 40 2HD2 ASN 40 1.088 0.485 -6.733 Start of MODEL 4 1 1H GLN 1 3H GLN 1 -2.090 13.204 -5.493 2 2H GLN 1 2H GLN 1 -0.914 13.681 -6.622 3 3H GLN 1 1H GLN 1 -2.235 12.735 -7.117 4 HA GLN 1 HA GLN 1 -1.401 10.806 -6.201 5 1HB GLN 1 2HB GLN 1 0.970 12.565 -6.915 6 2HB GLN 1 1HB GLN 1 0.962 10.802 -6.935 7 1HG GLN 1 2HG GLN 1 -0.753 10.784 -8.668 8 2HG GLN 1 1HG GLN 1 -0.882 12.543 -8.598 9 1HE2 GLN 1 2HE2 GLN 1 1.656 11.152 -11.218 10 2HE2 GLN 1 1HE2 GLN 1 0.198 10.442 -10.716 11 H ASN 2 H ASN 2 -1.928 10.988 -3.879 12 HA ASN 2 HA ASN 2 0.129 12.138 -2.091 13 1HB ASN 2 2HB ASN 2 -2.643 11.016 -1.907 14 2HB ASN 2 1HB ASN 2 -1.662 11.050 -0.441 15 1HD2 ASN 2 2HD2 ASN 2 -3.522 14.328 -0.876 16 2HD2 ASN 2 1HD2 ASN 2 -4.038 12.711 -0.891 17 H GLU 3 H GLU 3 0.966 9.869 -3.721 18 HA GLU 3 HA GLU 3 1.129 7.658 -1.703 19 1HB GLU 3 2HB GLU 3 1.870 6.369 -3.757 20 2HB GLU 3 1HB GLU 3 0.270 7.084 -3.941 21 1HG GLU 3 2HG GLU 3 1.042 8.775 -5.368 22 2HG GLU 3 1HG GLU 3 2.710 8.605 -4.820 23 H GLY 4 H GLY 4 2.630 10.118 -1.606 24 1HA GLY 4 2HA GLY 4 5.422 9.222 -2.139 25 2HA GLY 4 1HA GLY 4 4.949 10.865 -1.669 26 H HIS 5 H HIS 5 4.125 7.678 -0.379 27 HA HIS 5 HA HIS 5 5.080 8.606 2.311 28 1HB HIS 5 2HB HIS 5 3.044 7.525 3.175 29 2HB HIS 5 1HB HIS 5 2.631 8.723 1.954 30 HD1 HIS 5 HD1 HIS 5 3.918 5.900 0.107 31 HD2 HIS 5 HD2 HIS 5 0.275 6.753 1.875 32 HE1 HIS 5 HE1 HIS 5 2.217 4.277 -0.845 33 H GLU 6 H GLU 6 4.909 6.523 3.836 34 HA GLU 6 HA GLU 6 6.618 4.446 2.579 35 1HB GLU 6 2HB GLU 6 5.711 5.062 5.405 36 2HB GLU 6 1HB GLU 6 6.691 3.656 4.993 37 1HG GLU 6 2HG GLU 6 8.565 4.919 4.520 38 2HG GLU 6 1HG GLU 6 7.623 6.326 4.027 39 H CYS 7 HN CNP 7 5.643 2.575 1.896 40 HA CYS 7 HA CNP 7 2.933 2.137 1.625 41 1HB CYS 7 2HB CNP 7 4.846 0.802 0.749 42 2HB CYS 7 1HB CNP 7 4.989 0.020 2.314 43 H GLN 8 H GLN 8 1.436 2.415 3.234 44 HA GLN 8 HA GLN 8 2.055 1.252 5.927 45 1HB GLN 8 2HB GLN 8 1.728 3.648 5.865 46 2HB GLN 8 1HB GLN 8 0.238 3.460 4.942 47 1HG GLN 8 2HG GLN 8 -0.945 3.195 6.827 48 2HG GLN 8 1HG GLN 8 0.095 1.858 7.322 49 1HE2 GLN 8 2HE2 GLN 8 2.418 4.314 8.924 50 2HE2 GLN 8 1HE2 GLN 8 2.560 3.186 7.665 51 H CYS 9 HN CAG 9 1.042 -0.330 3.684 52 HA CYS 9 HA CAG 9 -1.832 -0.721 4.134 53 1HB CYS 9 2HB CAG 9 0.394 -1.992 2.556 54 2HB CYS 9 1HB CAG 9 -1.237 -2.672 2.540 55 H GLN 10 H GLN 10 -2.717 -2.318 5.484 56 HA GLN 10 HA GLN 10 -0.860 -3.686 7.336 57 1HB GLN 10 2HB GLN 10 -3.337 -2.487 7.520 58 2HB GLN 10 1HB GLN 10 -3.755 -4.200 7.507 59 1HG GLN 10 2HG GLN 10 -1.787 -4.395 9.246 60 2HG GLN 10 1HG GLN 10 -2.093 -2.675 9.486 61 1HE2 GLN 10 2HE2 GLN 10 -4.594 -3.621 11.796 62 2HE2 GLN 10 1HE2 GLN 10 -3.128 -2.804 11.547 63 H CYS 11 HN CNP 11 -1.320 -4.474 4.384 64 HA CYS 11 HA CNP 11 -2.599 -7.070 4.438 65 1HB CYS 11 2HB CNP 11 -0.719 -5.842 2.418 66 2HB CYS 11 1HB CNP 11 -2.016 -6.973 2.139 67 H GLY 12 H GLY 12 -0.817 -8.459 2.862 68 1HA GLY 12 2HA GLY 12 1.468 -9.000 4.705 69 2HA GLY 12 1HA GLY 12 0.669 -10.252 3.744 70 H SER 13 H SER 13 0.465 -8.001 1.593 71 HA SER 13 HA SER 13 2.925 -8.757 0.174 72 1HB SER 13 2HB SER 13 0.363 -8.308 -0.556 73 2HB SER 13 1HB SER 13 1.021 -6.699 -0.841 74 HG SER 13 HG SER 13 1.698 -7.557 -2.637 75 H CYS 14 HN CAG 14 1.592 -5.920 1.837 76 HA CYS 14 HA CAG 14 3.754 -4.172 0.915 77 1HB CYS 14 2HB CAG 14 1.327 -3.967 2.734 78 2HB CYS 14 1HB CAG 14 2.433 -2.666 2.470 79 H LYS 15 H LYS 15 2.527 -5.585 3.922 80 HA LYS 15 HA LYS 15 4.458 -4.677 5.757 81 1HB LYS 15 2HB LYS 15 2.933 -7.286 5.474 82 2HB LYS 15 1HB LYS 15 3.801 -6.824 6.939 83 1HG LYS 15 2HG LYS 15 2.436 -4.636 6.831 84 2HG LYS 15 1HG LYS 15 1.404 -5.489 5.686 85 1HD LYS 15 2HD LYS 15 0.403 -5.847 7.818 86 2HD LYS 15 1HD LYS 15 1.251 -7.348 7.445 87 1HE LYS 15 2HE LYS 15 2.904 -6.971 9.038 88 2HE LYS 15 1HE LYS 15 2.731 -5.207 8.944 89 1HZ LYS 15 3HZ LYS 15 0.347 -6.651 9.738 90 2HZ LYS 15 2HZ LYS 15 1.618 -6.701 10.865 91 3HZ LYS 15 1HZ LYS 15 0.993 -5.207 10.351 92 H ASN 16 H ASN 16 4.799 -6.924 3.128 93 HA ASN 16 HA ASN 16 7.595 -7.521 4.028 94 1HB ASN 16 2HB ASN 16 5.422 -9.356 2.998 95 2HB ASN 16 1HB ASN 16 7.124 -9.819 2.970 96 1HD2 ASN 16 2HD2 ASN 16 5.110 -9.738 6.519 97 2HD2 ASN 16 1HD2 ASN 16 4.378 -9.157 5.102 98 H ASN 17 H ASN 17 5.648 -8.406 1.157 99 HA ASN 17 HA ASN 17 7.650 -8.124 -0.786 100 1HB ASN 17 2HB ASN 17 4.854 -8.501 -0.626 101 2HB ASN 17 1HB ASN 17 5.096 -7.157 -1.743 102 1HD2 ASN 17 2HD2 ASN 17 5.767 -9.525 -4.273 103 2HD2 ASN 17 1HD2 ASN 17 4.831 -8.203 -3.766 104 H GLU 18 H GLU 18 8.991 -6.323 -0.573 105 HA GLU 18 HA GLU 18 7.880 -3.626 -0.285 106 1HB GLU 18 2HB GLU 18 10.252 -3.015 -0.262 107 2HB GLU 18 1HB GLU 18 10.013 -4.445 0.744 108 1HG GLU 18 2HG GLU 18 10.827 -5.895 -0.995 109 2HG GLU 18 1HG GLU 18 10.836 -4.576 -2.166 110 H GLN 19 H GLN 19 7.729 -5.586 -2.827 111 HA GLN 19 HA GLN 19 9.000 -4.133 -4.950 112 1HB GLN 19 2HB GLN 19 7.012 -6.291 -4.595 113 2HB GLN 19 1HB GLN 19 6.935 -5.440 -6.139 114 1HG GLN 19 2HG GLN 19 9.528 -5.781 -6.170 115 2HG GLN 19 1HG GLN 19 9.201 -7.044 -4.981 116 1HE2 GLN 19 2HE2 GLN 19 7.413 -9.114 -7.336 117 2HE2 GLN 19 1HE2 GLN 19 7.465 -8.699 -5.691 118 H CYS 20 HN CAG 20 6.080 -3.716 -3.263 119 HA CYS 20 HA CAG 20 5.320 -1.414 -4.992 120 1HB CYS 20 2HB CAG 20 3.073 -2.180 -4.795 121 2HB CYS 20 1HB CAG 20 4.026 -3.617 -5.123 122 H GLN 21 H GLN 21 6.714 -1.991 -2.184 123 HA GLN 21 HA GLN 21 4.892 -0.570 -0.372 124 1HB GLN 21 2HB GLN 21 6.429 -1.228 1.281 125 2HB GLN 21 1HB GLN 21 6.422 -2.550 0.118 126 1HG GLN 21 2HG GLN 21 8.506 -1.889 -0.811 127 2HG GLN 21 1HG GLN 21 8.435 -0.302 -0.048 128 1HE2 GLN 21 2HE2 GLN 21 8.955 -3.317 2.676 129 2HE2 GLN 21 1HE2 GLN 21 7.678 -3.403 1.561 130 H LYS 22 H LYS 22 6.203 0.786 -2.748 131 HA LYS 22 HA LYS 22 7.334 3.061 -1.171 132 1HB LYS 22 2HB LYS 22 9.137 3.215 -2.831 133 2HB LYS 22 1HB LYS 22 9.118 1.633 -2.050 134 1HG LYS 22 2HG LYS 22 7.798 0.749 -3.978 135 2HG LYS 22 1HG LYS 22 7.977 2.313 -4.773 136 1HD LYS 22 2HD LYS 22 10.257 0.508 -3.907 137 2HD LYS 22 1HD LYS 22 9.689 0.720 -5.564 138 1HE LYS 22 2HE LYS 22 10.121 3.262 -5.151 139 2HE LYS 22 1HE LYS 22 11.133 2.699 -3.804 140 1HZ LYS 22 1HZ LYS 22 12.048 1.049 -5.511 141 2HZ LYS 22 3HZ LYS 22 11.386 2.080 -6.683 142 3HZ LYS 22 2HZ LYS 22 12.574 2.661 -5.615 143 H SER 23 H SER 23 4.885 2.354 -3.201 144 HA SER 23 HA SER 23 4.774 5.153 -4.102 145 1HB SER 23 2HB SER 23 5.140 2.836 -6.010 146 2HB SER 23 1HB SER 23 4.652 4.447 -6.526 147 HG SER 23 HG SER 23 6.587 5.228 -5.548 148 H CYS 24 HN CNP 24 2.823 3.965 -2.515 149 HA CYS 24 HA CNP 24 0.604 3.586 -4.427 150 1HB CYS 24 2HB CNP 24 -0.352 2.646 -2.158 151 2HB CYS 24 1HB CNP 24 0.555 1.684 -3.257 152 H SER 25 H SER 25 -1.347 4.737 -4.029 153 HA SER 25 HA SER 25 -0.940 7.246 -2.521 154 1HB SER 25 2HB SER 25 -2.635 8.014 -3.893 155 2HB SER 25 1HB SER 25 -2.194 6.603 -4.850 156 HG SER 25 HG SER 25 -3.967 5.613 -4.218 157 H CYS 26 HN CAG 26 -1.482 4.303 -1.466 158 HA CYS 26 HA CAG 26 -3.900 4.209 -0.058 159 1HB CYS 26 2HB CAG 26 -1.064 3.248 0.370 160 2HB CYS 26 1HB CAG 26 -2.383 2.769 1.424 161 HA PRO 27 HA PRO 27 -2.907 7.718 2.618 162 1HB PRO 27 2HB PRO 27 -5.370 7.800 3.826 163 2HB PRO 27 1HB PRO 27 -5.053 8.547 2.245 164 1HG PRO 27 2HG PRO 27 -6.301 5.909 2.873 165 2HG PRO 27 1HG PRO 27 -6.768 7.115 1.662 166 1HD PRO 27 2HD PRO 27 -5.390 4.889 1.009 167 2HD PRO 27 1HD PRO 27 -5.145 6.435 0.161 168 H THR 28 H THR 28 -1.460 6.619 3.855 169 HA THR 28 HA THR 28 -1.310 4.398 5.222 170 HB THR 28 HB THR 28 -0.090 5.700 7.037 171 HG1 THR 28 HG1 THR 28 0.026 8.025 6.192 172 1HG2 THR 28 3HG2 THR 28 0.410 5.347 4.287 173 2HG2 THR 28 2HG2 THR 28 0.900 7.003 4.649 174 3HG2 THR 28 1HG2 THR 28 1.602 5.659 5.549 175 H GLY 29 H GLY 29 -3.411 3.993 5.307 176 1HA GLY 29 2HA GLY 29 -4.475 3.696 7.969 177 2HA GLY 29 1HA GLY 29 -5.518 4.653 6.906 178 H CYS 30 HN CAG 30 -4.258 2.964 4.543 179 HA CYS 30 HA CAG 30 -6.324 1.301 3.900 180 1HB CYS 30 2HB CAG 30 -4.126 1.855 2.723 181 2HB CYS 30 1HB CAG 30 -3.413 0.529 3.637 182 H ASN 31 H ASN 31 -7.321 -0.333 4.967 183 HA ASN 31 HA ASN 31 -5.677 -2.291 6.504 184 1HB ASN 31 2HB ASN 31 -7.844 -0.452 7.465 185 2HB ASN 31 1HB ASN 31 -7.701 -2.047 8.206 186 1HD2 ASN 31 2HD2 ASN 31 -5.483 0.382 10.045 187 2HD2 ASN 31 1HD2 ASN 31 -7.140 0.362 9.680 188 H SER 32 H SER 32 -7.318 -2.215 3.915 189 HA SER 32 HA SER 32 -9.076 -4.555 4.570 190 1HB SER 32 2HB SER 32 -10.546 -2.717 4.247 191 2HB SER 32 1HB SER 32 -9.577 -2.071 2.925 192 HG SER 32 HG SER 32 -10.875 -3.173 1.698 193 H ASP 33 H ASP 33 -9.576 -5.821 2.482 194 HA ASP 33 HA ASP 33 -7.051 -6.154 0.955 195 1HB ASP 33 2HB ASP 33 -9.609 -7.751 1.269 196 2HB ASP 33 1HB ASP 33 -8.286 -8.248 0.213 197 H ASP 34 H ASP 34 -10.472 -5.367 0.437 198 HA ASP 34 HA ASP 34 -10.040 -5.093 -2.460 199 1HB ASP 34 2HB ASP 34 -12.109 -6.087 -1.105 200 2HB ASP 34 1HB ASP 34 -12.595 -4.393 -1.053 201 H LYS 35 H LYS 35 -8.801 -3.414 -0.494 202 HA LYS 35 HA LYS 35 -9.614 -0.795 -1.606 203 1HB LYS 35 2HB LYS 35 -10.293 -1.480 0.908 204 2HB LYS 35 1HB LYS 35 -8.624 -1.000 1.218 205 1HG LYS 35 2HG LYS 35 -9.032 1.211 0.771 206 2HG LYS 35 1HG LYS 35 -10.243 0.845 -0.460 207 1HD LYS 35 2HD LYS 35 -11.188 -0.093 2.085 208 2HD LYS 35 1HD LYS 35 -10.693 1.593 2.243 209 1HE LYS 35 2HE LYS 35 -12.517 0.569 0.039 210 2HE LYS 35 1HE LYS 35 -13.087 1.362 1.522 211 1HZ LYS 35 3HZ LYS 35 -10.992 2.568 -0.182 212 2HZ LYS 35 2HZ LYS 35 -12.640 2.852 -0.475 213 3HZ LYS 35 1HZ LYS 35 -11.945 3.318 1.003 214 H CYS 36 HN CAG 36 -7.678 -2.818 -2.221 215 HA CYS 36 HA CAG 36 -5.187 -1.218 -1.908 216 1HB CYS 36 2HB CAG 36 -5.673 -3.340 -0.431 217 2HB CYS 36 1HB CAG 36 -5.145 -4.174 -1.863 218 HA PRO 37 HA PRO 37 -5.638 -2.731 -6.137 219 1HB PRO 37 2HB PRO 37 -6.054 -0.258 -7.306 220 2HB PRO 37 1HB PRO 37 -7.363 -1.309 -6.732 221 1HG PRO 37 2HG PRO 37 -6.459 1.205 -5.632 222 2HG PRO 37 1HG PRO 37 -7.878 0.244 -5.205 223 1HD PRO 37 2HD PRO 37 -5.312 0.437 -3.853 224 2HD PRO 37 1HD PRO 37 -6.847 -0.257 -3.283 225 H CYS 38 HN CAG 38 -3.439 -2.428 -4.523 226 HA CYS 38 HA CAG 38 -1.485 -0.572 -5.666 227 1HB CYS 38 2HB CAG 38 -1.975 -1.742 -3.342 228 2HB CYS 38 1HB CAG 38 -0.827 -2.903 -3.965 229 H GLY 39 H GLY 39 -2.739 -2.994 -6.945 230 1HA GLY 39 2HA GLY 39 -0.432 -4.600 -7.788 231 2HA GLY 39 1HA GLY 39 -2.097 -4.853 -8.314 232 H ASN 40 HN ASN 40 -0.378 -1.760 -8.468 233 HA ASN 40 HA ASN 40 -1.032 -1.500 -11.308 234 1HB ASN 40 2HB ASN 40 -0.009 0.712 -10.982 235 2HB ASN 40 1HB ASN 40 -1.079 0.344 -9.629 236 1HD2 ASN 40 2HD2 ASN 40 1.544 0.198 -7.238 237 2HD2 ASN 40 1HD2 ASN 40 -0.097 -0.115 -7.539 Start of MODEL 5 1 1H GLN 1 2H GLN 1 -0.185 14.734 -5.088 2 2H GLN 1 1H GLN 1 -0.568 14.127 -6.628 3 3H GLN 1 3H GLN 1 -1.471 13.640 -5.278 4 HA GLN 1 HA GLN 1 0.084 11.893 -5.940 5 1HB GLN 1 2HB GLN 1 1.706 14.305 -6.147 6 2HB GLN 1 1HB GLN 1 2.536 13.052 -5.223 7 1HG GLN 1 2HG GLN 1 1.961 11.432 -7.082 8 2HG GLN 1 1HG GLN 1 1.401 12.817 -8.021 9 1HE2 GLN 1 2HE2 GLN 1 5.154 12.033 -8.493 10 2HE2 GLN 1 1HE2 GLN 1 3.844 10.962 -8.357 11 H ASN 2 H ASN 2 -1.326 11.747 -3.831 12 HA ASN 2 HA ASN 2 0.126 12.331 -1.332 13 1HB ASN 2 2HB ASN 2 -2.569 11.673 -2.249 14 2HB ASN 2 1HB ASN 2 -2.131 10.781 -0.792 15 1HD2 ASN 2 2HD2 ASN 2 -2.024 14.895 -0.548 16 2HD2 ASN 2 1HD2 ASN 2 -1.570 14.145 -2.001 17 H GLU 3 H GLU 3 1.493 10.476 -3.063 18 HA GLU 3 HA GLU 3 1.261 7.956 -1.437 19 1HB GLU 3 2HB GLU 3 1.960 6.802 -3.542 20 2HB GLU 3 1HB GLU 3 0.475 7.720 -3.793 21 1HG GLU 3 2HG GLU 3 1.531 8.713 -5.523 22 2HG GLU 3 1HG GLU 3 2.502 9.560 -4.318 23 H GLY 4 H GLY 4 2.873 10.264 -0.952 24 1HA GLY 4 2HA GLY 4 5.638 9.240 -1.454 25 2HA GLY 4 1HA GLY 4 5.253 10.897 -0.953 26 H HIS 5 H HIS 5 4.109 7.762 0.190 27 HA HIS 5 HA HIS 5 4.943 8.546 2.965 28 1HB HIS 5 2HB HIS 5 2.847 7.400 3.621 29 2HB HIS 5 1HB HIS 5 2.540 8.714 2.490 30 HD1 HIS 5 HD1 HIS 5 3.932 5.959 0.564 31 HD2 HIS 5 HD2 HIS 5 0.170 6.892 2.006 32 HE1 HIS 5 HE1 HIS 5 2.263 4.534 -0.710 33 H GLU 6 H GLU 6 4.535 6.395 4.370 34 HA GLU 6 HA GLU 6 6.366 4.349 3.249 35 1HB GLU 6 2HB GLU 6 5.112 4.841 5.967 36 2HB GLU 6 1HB GLU 6 6.178 3.480 5.615 37 1HG GLU 6 2HG GLU 6 7.974 5.023 4.978 38 2HG GLU 6 1HG GLU 6 6.915 6.401 5.279 39 H CYS 7 HN CNP 7 5.491 2.523 2.398 40 HA CYS 7 HA CNP 7 2.860 2.086 1.723 41 1HB CYS 7 2HB CNP 7 4.818 0.763 1.071 42 2HB CYS 7 1HB CNP 7 4.876 0.030 2.666 43 H GLN 8 H GLN 8 1.181 2.448 3.168 44 HA GLN 8 HA GLN 8 1.373 1.270 5.889 45 1HB GLN 8 2HB GLN 8 0.465 3.672 4.742 46 2HB GLN 8 1HB GLN 8 -0.990 2.827 5.284 47 1HG GLN 8 2HG GLN 8 -0.497 3.567 7.346 48 2HG GLN 8 1HG GLN 8 0.826 2.403 7.334 49 1HE2 GLN 8 2HE2 GLN 8 2.180 5.860 8.004 50 2HE2 GLN 8 1HE2 GLN 8 0.969 4.929 8.743 51 H CYS 9 HN CAG 9 0.768 -0.300 3.342 52 HA CYS 9 HA CAG 9 -2.063 -1.013 3.543 53 1HB CYS 9 2HB CAG 9 0.414 -1.990 2.142 54 2HB CYS 9 1HB CAG 9 -1.179 -2.706 1.845 55 H GLN 10 H GLN 10 -2.822 -2.538 5.008 56 HA GLN 10 HA GLN 10 -0.887 -4.107 6.601 57 1HB GLN 10 2HB GLN 10 -2.713 -3.006 7.745 58 2HB GLN 10 1HB GLN 10 -3.892 -3.682 6.620 59 1HG GLN 10 2HG GLN 10 -3.999 -5.637 7.741 60 2HG GLN 10 1HG GLN 10 -2.246 -5.731 7.903 61 1HE2 GLN 10 2HE2 GLN 10 -2.184 -4.156 11.109 62 2HE2 GLN 10 1HE2 GLN 10 -1.251 -4.551 9.746 63 H CYS 11 HN CNP 11 -1.798 -4.511 3.614 64 HA CYS 11 HA CNP 11 -3.106 -7.063 3.494 65 1HB CYS 11 2HB CNP 11 -1.374 -5.593 1.494 66 2HB CYS 11 1HB CNP 11 -2.672 -6.711 1.160 67 H GLY 12 H GLY 12 -1.586 -8.466 1.709 68 1HA GLY 12 2HA GLY 12 0.824 -9.212 3.302 69 2HA GLY 12 1HA GLY 12 -0.098 -10.346 2.311 70 H SER 13 H SER 13 -0.296 -7.983 0.304 71 HA SER 13 HA SER 13 2.113 -8.750 -1.217 72 1HB SER 13 2HB SER 13 -0.323 -7.024 -1.754 73 2HB SER 13 1HB SER 13 0.938 -7.313 -2.949 74 HG SER 13 HG SER 13 -0.682 -9.254 -1.648 75 H CYS 14 HN CAG 14 0.732 -5.871 0.355 76 HA CYS 14 HA CAG 14 2.961 -4.172 -0.469 77 1HB CYS 14 2HB CAG 14 0.685 -3.608 1.461 78 2HB CYS 14 1HB CAG 14 1.541 -2.513 0.425 79 H LYS 15 H LYS 15 1.421 -4.889 2.651 80 HA LYS 15 HA LYS 15 3.325 -4.036 4.443 81 1HB LYS 15 2HB LYS 15 1.923 -5.138 5.856 82 2HB LYS 15 1HB LYS 15 1.036 -5.616 4.413 83 1HG LYS 15 2HG LYS 15 2.210 -7.714 4.289 84 2HG LYS 15 1HG LYS 15 3.350 -7.217 5.539 85 1HD LYS 15 2HD LYS 15 0.813 -6.870 6.688 86 2HD LYS 15 1HD LYS 15 0.726 -8.411 5.838 87 1HE LYS 15 2HE LYS 15 1.793 -9.306 7.634 88 2HE LYS 15 1HE LYS 15 3.242 -8.447 7.078 89 1HZ LYS 15 1HZ LYS 15 2.473 -6.476 8.266 90 2HZ LYS 15 3HZ LYS 15 1.123 -7.327 8.838 91 3HZ LYS 15 2HZ LYS 15 2.684 -7.782 9.331 92 H ASN 16 H ASN 16 3.643 -6.798 2.276 93 HA ASN 16 HA ASN 16 6.220 -7.533 3.627 94 1HB ASN 16 2HB ASN 16 4.059 -8.989 2.172 95 2HB ASN 16 1HB ASN 16 5.698 -9.625 2.038 96 1HD2 ASN 16 2HD2 ASN 16 5.836 -9.925 5.765 97 2HD2 ASN 16 1HD2 ASN 16 6.723 -9.066 4.600 98 H ASN 17 H ASN 17 4.971 -7.931 0.283 99 HA ASN 17 HA ASN 17 7.424 -7.856 -1.066 100 1HB ASN 17 2HB ASN 17 4.775 -7.986 -1.715 101 2HB ASN 17 1HB ASN 17 5.185 -6.381 -2.323 102 1HD2 ASN 17 2HD2 ASN 17 5.956 -8.863 -5.017 103 2HD2 ASN 17 1HD2 ASN 17 4.552 -8.405 -4.179 104 H GLU 18 H GLU 18 8.943 -6.338 -0.417 105 HA GLU 18 HA GLU 18 8.277 -3.567 0.083 106 1HB GLU 18 2HB GLU 18 10.683 -3.363 0.399 107 2HB GLU 18 1HB GLU 18 10.149 -4.887 1.108 108 1HG GLU 18 2HG GLU 18 10.687 -5.503 -1.571 109 2HG GLU 18 1HG GLU 18 12.005 -4.437 -1.082 110 H GLN 19 H GLN 19 8.296 -5.206 -2.748 111 HA GLN 19 HA GLN 19 9.780 -3.368 -4.441 112 1HB GLN 19 2HB GLN 19 7.772 -5.578 -4.880 113 2HB GLN 19 1HB GLN 19 8.468 -4.676 -6.227 114 1HG GLN 19 2HG GLN 19 10.504 -5.576 -4.335 115 2HG GLN 19 1HG GLN 19 9.588 -6.919 -5.020 116 1HE2 GLN 19 2HE2 GLN 19 12.119 -6.513 -7.576 117 2HE2 GLN 19 1HE2 GLN 19 11.842 -7.299 -6.098 118 H CYS 20 HN CAG 20 6.742 -3.338 -3.001 119 HA CYS 20 HA CAG 20 5.829 -1.074 -4.702 120 1HB CYS 20 2HB CAG 20 3.640 -2.042 -4.530 121 2HB CYS 20 1HB CAG 20 4.735 -3.358 -4.932 122 H GLN 21 H GLN 21 6.968 -1.942 -1.717 123 HA GLN 21 HA GLN 21 5.074 -0.568 0.001 124 1HB GLN 21 2HB GLN 21 7.787 -1.823 0.222 125 2HB GLN 21 1HB GLN 21 7.174 -0.854 1.557 126 1HG GLN 21 2HG GLN 21 5.026 -2.290 1.340 127 2HG GLN 21 1HG GLN 21 6.039 -3.397 0.417 128 1HE2 GLN 21 2HE2 GLN 21 8.275 -3.424 3.536 129 2HE2 GLN 21 1HE2 GLN 21 8.474 -2.627 2.051 130 H LYS 22 H LYS 22 6.225 1.137 -2.227 131 HA LYS 22 HA LYS 22 7.205 3.299 -0.445 132 1HB LYS 22 2HB LYS 22 9.131 3.561 -2.175 133 2HB LYS 22 1HB LYS 22 9.255 2.335 -0.918 134 1HG LYS 22 2HG LYS 22 8.291 0.674 -2.560 135 2HG LYS 22 1HG LYS 22 8.432 1.919 -3.803 136 1HD LYS 22 2HD LYS 22 10.818 2.003 -3.569 137 2HD LYS 22 1HD LYS 22 10.771 1.018 -2.105 138 1HE LYS 22 2HE LYS 22 9.613 -0.760 -3.668 139 2HE LYS 22 1HE LYS 22 10.397 0.166 -4.964 140 1HZ LYS 22 1HZ LYS 22 12.369 0.072 -3.207 141 2HZ LYS 22 3HZ LYS 22 11.600 -1.387 -2.808 142 3HZ LYS 22 2HZ LYS 22 12.151 -1.125 -4.393 143 H SER 23 H SER 23 5.046 2.674 -2.760 144 HA SER 23 HA SER 23 5.072 5.483 -3.618 145 1HB SER 23 2HB SER 23 5.690 3.195 -5.489 146 2HB SER 23 1HB SER 23 5.187 4.781 -6.067 147 HG SER 23 HG SER 23 6.964 5.594 -4.711 148 H CYS 24 HN CNP 24 2.999 4.220 -2.265 149 HA CYS 24 HA CNP 24 0.911 3.931 -4.337 150 1HB CYS 24 2HB CNP 24 -0.200 2.941 -2.148 151 2HB CYS 24 1HB CNP 24 0.758 1.995 -3.222 152 H SER 25 H SER 25 -1.113 5.019 -3.964 153 HA SER 25 HA SER 25 -0.764 7.537 -2.447 154 1HB SER 25 2HB SER 25 -2.397 8.308 -3.886 155 2HB SER 25 1HB SER 25 -1.939 6.889 -4.825 156 HG SER 25 HG SER 25 -3.741 5.919 -4.245 157 H CYS 26 HN CAG 26 -1.365 4.569 -1.462 158 HA CYS 26 HA CAG 26 -3.832 4.527 -0.116 159 1HB CYS 26 2HB CAG 26 -1.044 3.474 0.434 160 2HB CYS 26 1HB CAG 26 -2.474 2.951 1.320 161 HA PRO 27 HA PRO 27 -2.903 8.038 2.555 162 1HB PRO 27 2HB PRO 27 -5.307 7.943 3.887 163 2HB PRO 27 1HB PRO 27 -5.105 8.722 2.304 164 1HG PRO 27 2HG PRO 27 -6.122 5.986 2.949 165 2HG PRO 27 1HG PRO 27 -6.756 7.178 1.799 166 1HD PRO 27 2HD PRO 27 -5.275 5.107 0.969 167 2HD PRO 27 1HD PRO 27 -5.121 6.711 0.210 168 H THR 28 H THR 28 -1.335 7.134 3.793 169 HA THR 28 HA THR 28 -0.907 4.994 5.238 170 HB THR 28 HB THR 28 0.165 6.532 6.992 171 HG1 THR 28 HG1 THR 28 -0.064 8.685 6.665 172 1HG2 THR 28 3HG2 THR 28 0.938 5.802 4.539 173 2HG2 THR 28 2HG2 THR 28 0.824 7.541 4.269 174 3HG2 THR 28 1HG2 THR 28 1.892 6.912 5.523 175 H GLY 29 H GLY 29 -3.051 4.455 5.417 176 1HA GLY 29 2HA GLY 29 -3.906 4.137 8.143 177 2HA GLY 29 1HA GLY 29 -5.068 5.033 7.156 178 H CYS 30 HN CAG 30 -3.729 3.250 4.777 179 HA CYS 30 HA CAG 30 -5.866 1.562 4.326 180 1HB CYS 30 2HB CAG 30 -3.720 2.199 3.043 181 2HB CYS 30 1HB CAG 30 -3.033 0.756 3.770 182 H ASN 31 H ASN 31 -6.636 0.510 6.152 183 HA ASN 31 HA ASN 31 -4.902 -1.641 7.333 184 1HB ASN 31 2HB ASN 31 -7.039 0.192 8.343 185 2HB ASN 31 1HB ASN 31 -7.002 -1.435 9.023 186 1HD2 ASN 31 2HD2 ASN 31 -4.250 1.257 10.207 187 2HD2 ASN 31 1HD2 ASN 31 -5.565 1.674 9.218 188 H SER 32 H SER 32 -8.378 -1.001 6.845 189 HA SER 32 HA SER 32 -8.791 -3.825 5.968 190 1HB SER 32 2HB SER 32 -11.243 -2.810 6.092 191 2HB SER 32 1HB SER 32 -10.389 -3.220 7.577 192 HG SER 32 HG SER 32 -10.499 -1.191 8.071 193 H ASP 33 H ASP 33 -7.861 -3.611 3.864 194 HA ASP 33 HA ASP 33 -9.567 -2.129 1.943 195 1HB ASP 33 2HB ASP 33 -6.624 -1.812 2.484 196 2HB ASP 33 1HB ASP 33 -7.286 -1.445 0.892 197 H ASP 34 H ASP 34 -10.152 -4.422 1.646 198 HA ASP 34 HA ASP 34 -8.216 -6.202 0.382 199 1HB ASP 34 2HB ASP 34 -9.845 -7.198 1.848 200 2HB ASP 34 1HB ASP 34 -11.165 -6.341 1.052 201 H LYS 35 H LYS 35 -8.930 -3.659 -0.764 202 HA LYS 35 HA LYS 35 -9.648 -4.544 -3.494 203 1HB LYS 35 2HB LYS 35 -11.502 -3.282 -2.223 204 2HB LYS 35 1HB LYS 35 -10.416 -1.892 -2.223 205 1HG LYS 35 2HG LYS 35 -10.407 -2.794 -4.873 206 2HG LYS 35 1HG LYS 35 -12.092 -2.910 -4.368 207 1HD LYS 35 2HD LYS 35 -11.290 -0.478 -3.306 208 2HD LYS 35 1HD LYS 35 -10.460 -0.527 -4.862 209 1HE LYS 35 2HE LYS 35 -12.402 -0.040 -5.914 210 2HE LYS 35 1HE LYS 35 -13.147 -1.496 -5.223 211 1HZ LYS 35 2HZ LYS 35 -12.696 0.783 -3.445 212 2HZ LYS 35 1HZ LYS 35 -13.974 0.907 -4.558 213 3HZ LYS 35 3HZ LYS 35 -13.949 -0.364 -3.435 214 H CYS 36 HN CAG 36 -7.253 -4.261 -2.008 215 HA CYS 36 HA CAG 36 -5.860 -2.047 -3.436 216 1HB CYS 36 2HB CAG 36 -6.026 -1.950 -0.899 217 2HB CYS 36 1HB CAG 36 -4.994 -3.377 -0.891 218 HA PRO 37 HA PRO 37 -3.751 -5.789 -4.645 219 1HB PRO 37 2HB PRO 37 -4.481 -5.597 -7.326 220 2HB PRO 37 1HB PRO 37 -5.410 -6.490 -6.108 221 1HG PRO 37 2HG PRO 37 -6.184 -4.099 -7.470 222 2HG PRO 37 1HG PRO 37 -7.072 -4.987 -6.226 223 1HD PRO 37 2HD PRO 37 -5.386 -2.582 -5.970 224 2HD PRO 37 1HD PRO 37 -6.762 -3.140 -4.982 225 H CYS 38 HN CAG 38 -2.929 -3.221 -4.010 226 HA CYS 38 HA CAG 38 -1.494 -1.818 -6.072 227 1HB CYS 38 2HB CAG 38 -2.013 -0.595 -4.257 228 2HB CYS 38 1HB CAG 38 -1.839 -1.921 -3.134 229 H GLY 39 H GLY 39 0.397 -2.024 -6.798 230 1HA GLY 39 2HA GLY 39 2.380 -3.865 -5.549 231 2HA GLY 39 1HA GLY 39 2.004 -4.043 -7.267 232 H ASN 40 HN ASN 40 1.669 -0.827 -6.408 233 HA ASN 40 HA ASN 40 4.513 -0.076 -6.672 234 1HB ASN 40 2HB ASN 40 4.081 1.099 -8.835 235 2HB ASN 40 1HB ASN 40 3.866 -0.648 -8.967 236 1HD2 ASN 40 2HD2 ASN 40 0.542 1.774 -9.098 237 2HD2 ASN 40 1HD2 ASN 40 1.965 2.355 -8.380 Start of MODEL 6 1 1H GLN 1 1H GLN 1 -1.491 11.584 -6.353 2 2H GLN 1 3H GLN 1 -1.635 10.833 -7.867 3 3H GLN 1 2H GLN 1 -1.873 9.931 -6.447 4 HA GLN 1 HA GLN 1 0.268 9.309 -7.013 5 1HB GLN 1 2HB GLN 1 1.781 10.891 -8.110 6 2HB GLN 1 1HB GLN 1 0.214 10.935 -8.919 7 1HG GLN 1 2HG GLN 1 -0.074 13.107 -8.398 8 2HG GLN 1 1HG GLN 1 0.276 12.799 -6.697 9 1HE2 GLN 1 2HE2 GLN 1 3.697 13.287 -8.893 10 2HE2 GLN 1 1HE2 GLN 1 2.550 12.125 -9.357 11 H ASN 2 H ASN 2 -0.969 10.488 -4.546 12 HA ASN 2 HA ASN 2 1.256 11.942 -3.245 13 1HB ASN 2 2HB ASN 2 -1.427 12.109 -3.075 14 2HB ASN 2 1HB ASN 2 -1.143 10.953 -1.774 15 1HD2 ASN 2 2HD2 ASN 2 -0.438 13.674 0.354 16 2HD2 ASN 2 1HD2 ASN 2 -1.366 12.280 0.075 17 H GLU 3 H GLU 3 1.792 9.199 -4.091 18 HA GLU 3 HA GLU 3 1.725 7.558 -1.612 19 1HB GLU 3 2HB GLU 3 2.647 5.857 -3.161 20 2HB GLU 3 1HB GLU 3 1.250 6.648 -3.892 21 1HG GLU 3 2HG GLU 3 3.629 8.152 -4.499 22 2HG GLU 3 1HG GLU 3 3.863 6.464 -4.959 23 H GLY 4 H GLY 4 3.252 9.967 -1.563 24 1HA GLY 4 2HA GLY 4 6.084 9.079 -1.664 25 2HA GLY 4 1HA GLY 4 5.532 10.723 -1.293 26 H HIS 5 H HIS 5 4.658 7.534 -0.022 27 HA HIS 5 HA HIS 5 5.325 8.527 2.734 28 1HB HIS 5 2HB HIS 5 3.179 7.527 3.419 29 2HB HIS 5 1HB HIS 5 2.922 8.706 2.138 30 HD1 HIS 5 HD1 HIS 5 4.314 5.809 0.499 31 HD2 HIS 5 HD2 HIS 5 0.527 6.782 1.864 32 HE1 HIS 5 HE1 HIS 5 2.698 4.190 -0.561 33 H GLU 6 H GLU 6 4.830 6.424 4.242 34 HA GLU 6 HA GLU 6 6.646 4.304 3.228 35 1HB GLU 6 2HB GLU 6 5.361 4.947 5.895 36 2HB GLU 6 1HB GLU 6 6.313 3.489 5.619 37 1HG GLU 6 2HG GLU 6 8.258 4.835 5.001 38 2HG GLU 6 1HG GLU 6 7.319 6.317 5.190 39 H CYS 7 HN CNP 7 5.708 2.474 2.381 40 HA CYS 7 HA CNP 7 2.990 2.216 1.815 41 1HB CYS 7 2HB CNP 7 5.009 0.886 1.031 42 2HB CYS 7 1HB CNP 7 4.818 -0.099 2.474 43 H GLN 8 H GLN 8 1.393 2.408 3.307 44 HA GLN 8 HA GLN 8 1.794 1.238 6.023 45 1HB GLN 8 2HB GLN 8 0.106 3.346 4.736 46 2HB GLN 8 1HB GLN 8 -0.501 2.587 6.209 47 1HG GLN 8 2HG GLN 8 2.341 3.327 6.348 48 2HG GLN 8 1HG GLN 8 1.260 4.705 6.144 49 1HE2 GLN 8 2HE2 GLN 8 1.125 4.446 9.728 50 2HE2 GLN 8 1HE2 GLN 8 1.946 5.219 8.459 51 H CYS 9 HN CAG 9 1.109 -0.375 3.524 52 HA CYS 9 HA CAG 9 -1.657 -1.196 3.752 53 1HB CYS 9 2HB CAG 9 0.888 -2.044 2.458 54 2HB CYS 9 1HB CAG 9 -0.440 -3.210 2.483 55 H GLN 10 H GLN 10 -2.503 -2.566 5.304 56 HA GLN 10 HA GLN 10 -0.663 -3.908 7.197 57 1HB GLN 10 2HB GLN 10 -3.189 -2.689 7.298 58 2HB GLN 10 1HB GLN 10 -3.521 -4.411 7.498 59 1HG GLN 10 2HG GLN 10 -1.694 -4.457 9.253 60 2HG GLN 10 1HG GLN 10 -1.658 -2.696 9.157 61 1HE2 GLN 10 2HE2 GLN 10 -4.064 -2.997 11.806 62 2HE2 GLN 10 1HE2 GLN 10 -2.410 -2.772 11.491 63 H CYS 11 HN CNP 11 -1.278 -4.690 4.247 64 HA CYS 11 HA CNP 11 -2.553 -7.291 4.396 65 1HB CYS 11 2HB CNP 11 -0.892 -6.090 2.183 66 2HB CYS 11 1HB CNP 11 -2.269 -7.151 2.063 67 H GLY 12 H GLY 12 -0.977 -8.710 2.669 68 1HA GLY 12 2HA GLY 12 1.515 -9.202 4.244 69 2HA GLY 12 1HA GLY 12 0.633 -10.464 3.377 70 H SER 13 H SER 13 0.188 -8.245 1.239 71 HA SER 13 HA SER 13 2.453 -9.015 -0.443 72 1HB SER 13 2HB SER 13 1.145 -8.029 -2.144 73 2HB SER 13 1HB SER 13 -0.066 -8.590 -0.995 74 HG SER 13 HG SER 13 -0.581 -6.590 -0.614 75 H CYS 14 HN CAG 14 1.340 -6.035 1.196 76 HA CYS 14 HA CAG 14 3.619 -4.501 0.197 77 1HB CYS 14 2HB CAG 14 1.365 -3.879 2.155 78 2HB CYS 14 1HB CAG 14 2.404 -2.757 1.350 79 H LYS 15 H LYS 15 2.262 -5.265 3.407 80 HA LYS 15 HA LYS 15 4.201 -4.425 5.150 81 1HB LYS 15 2HB LYS 15 2.740 -7.080 5.033 82 2HB LYS 15 1HB LYS 15 3.582 -6.495 6.467 83 1HG LYS 15 2HG LYS 15 2.138 -4.346 6.144 84 2HG LYS 15 1HG LYS 15 1.120 -5.381 5.143 85 1HD LYS 15 2HD LYS 15 0.222 -5.513 7.361 86 2HD LYS 15 1HD LYS 15 1.087 -7.024 7.088 87 1HE LYS 15 2HE LYS 15 1.669 -6.132 9.307 88 2HE LYS 15 1HE LYS 15 3.086 -6.025 8.245 89 1HZ LYS 15 1HZ LYS 15 1.240 -3.794 8.099 90 2HZ LYS 15 3HZ LYS 15 2.078 -3.932 9.567 91 3HZ LYS 15 2HZ LYS 15 2.940 -3.799 8.109 92 H ASN 16 H ASN 16 4.559 -7.068 2.834 93 HA ASN 16 HA ASN 16 7.249 -7.698 3.991 94 1HB ASN 16 2HB ASN 16 5.259 -9.216 2.291 95 2HB ASN 16 1HB ASN 16 6.893 -9.807 2.595 96 1HD2 ASN 16 2HD2 ASN 16 4.292 -9.583 5.784 97 2HD2 ASN 16 1HD2 ASN 16 4.092 -8.511 4.483 98 H ASN 17 H ASN 17 5.929 -8.154 0.709 99 HA ASN 17 HA ASN 17 8.298 -7.768 -0.722 100 1HB ASN 17 2HB ASN 17 5.777 -8.367 -1.339 101 2HB ASN 17 1HB ASN 17 5.739 -6.664 -1.804 102 1HD2 ASN 17 2HD2 ASN 17 6.978 -8.775 -4.696 103 2HD2 ASN 17 1HD2 ASN 17 5.593 -8.871 -3.718 104 H GLU 18 H GLU 18 9.660 -6.075 -0.343 105 HA GLU 18 HA GLU 18 8.651 -3.361 0.141 106 1HB GLU 18 2HB GLU 18 11.303 -4.778 0.004 107 2HB GLU 18 1HB GLU 18 11.261 -3.014 -0.009 108 1HG GLU 18 2HG GLU 18 9.571 -3.458 2.036 109 2HG GLU 18 1HG GLU 18 10.562 -4.910 2.176 110 H GLN 19 H GLN 19 8.698 -5.114 -2.569 111 HA GLN 19 HA GLN 19 10.090 -3.310 -4.393 112 1HB GLN 19 2HB GLN 19 9.197 -5.936 -4.380 113 2HB GLN 19 1HB GLN 19 8.110 -5.144 -5.519 114 1HG GLN 19 2HG GLN 19 9.854 -4.523 -6.954 115 2HG GLN 19 1HG GLN 19 11.075 -4.670 -5.689 116 1HE2 GLN 19 2HE2 GLN 19 11.870 -7.889 -6.868 117 2HE2 GLN 19 1HE2 GLN 19 12.423 -6.362 -6.376 118 H CYS 20 HN CAG 20 7.068 -3.367 -2.934 119 HA CYS 20 HA CAG 20 5.997 -1.337 -4.828 120 1HB CYS 20 2HB CAG 20 3.901 -2.456 -4.630 121 2HB CYS 20 1HB CAG 20 5.090 -3.731 -4.838 122 H GLN 21 H GLN 21 7.160 -1.861 -1.767 123 HA GLN 21 HA GLN 21 5.157 -0.345 -0.253 124 1HB GLN 21 2HB GLN 21 7.771 -1.725 0.239 125 2HB GLN 21 1HB GLN 21 7.153 -0.604 1.450 126 1HG GLN 21 2HG GLN 21 4.906 -2.051 0.905 127 2HG GLN 21 1HG GLN 21 6.154 -3.276 0.676 128 1HE2 GLN 21 2HE2 GLN 21 7.214 -3.185 4.117 129 2HE2 GLN 21 1HE2 GLN 21 7.784 -3.463 2.544 130 H LYS 22 H LYS 22 6.442 1.115 -2.523 131 HA LYS 22 HA LYS 22 7.523 3.345 -0.880 132 1HB LYS 22 2HB LYS 22 8.951 2.210 -3.291 133 2HB LYS 22 1HB LYS 22 9.540 3.475 -2.211 134 1HG LYS 22 2HG LYS 22 9.410 1.815 -0.320 135 2HG LYS 22 1HG LYS 22 9.042 0.569 -1.513 136 1HD LYS 22 2HD LYS 22 11.318 0.317 -1.516 137 2HD LYS 22 1HD LYS 22 11.235 1.655 -2.661 138 1HE LYS 22 2HE LYS 22 12.223 3.097 -1.201 139 2HE LYS 22 1HE LYS 22 11.235 2.522 0.157 140 1HZ LYS 22 3HZ LYS 22 12.593 0.421 0.030 141 2HZ LYS 22 2HZ LYS 22 13.660 1.261 -0.992 142 3HZ LYS 22 1HZ LYS 22 13.417 1.789 0.605 143 H SER 23 H SER 23 5.293 2.585 -3.158 144 HA SER 23 HA SER 23 5.164 5.376 -4.011 145 1HB SER 23 2HB SER 23 6.550 3.401 -5.570 146 2HB SER 23 1HB SER 23 5.143 3.951 -6.474 147 HG SER 23 HG SER 23 6.751 5.833 -5.157 148 H CYS 24 HN CNP 24 3.368 3.601 -2.685 149 HA CYS 24 HA CNP 24 1.152 3.277 -4.612 150 1HB CYS 24 2HB CNP 24 0.576 1.545 -3.213 151 2HB CYS 24 1HB CNP 24 2.297 1.537 -3.013 152 H SER 25 H SER 25 -0.470 4.789 -4.518 153 HA SER 25 HA SER 25 -0.267 7.009 -2.662 154 1HB SER 25 2HB SER 25 -1.104 7.081 -5.021 155 2HB SER 25 1HB SER 25 -2.527 6.178 -4.513 156 HG SER 25 HG SER 25 -3.181 7.879 -3.308 157 H CYS 26 HN CAG 26 -1.021 4.098 -1.662 158 HA CYS 26 HA CAG 26 -3.600 4.077 -0.582 159 1HB CYS 26 2HB CAG 26 -0.852 3.110 0.110 160 2HB CYS 26 1HB CAG 26 -2.134 2.920 1.306 161 HA PRO 27 HA PRO 27 -3.153 7.736 1.994 162 1HB PRO 27 2HB PRO 27 -5.695 7.655 3.017 163 2HB PRO 27 1HB PRO 27 -5.334 8.311 1.407 164 1HG PRO 27 2HG PRO 27 -6.378 5.621 2.163 165 2HG PRO 27 1HG PRO 27 -6.854 6.676 0.822 166 1HD PRO 27 2HD PRO 27 -5.224 4.542 0.482 167 2HD PRO 27 1HD PRO 27 -5.083 6.018 -0.501 168 H THR 28 H THR 28 -1.696 6.817 3.404 169 HA THR 28 HA THR 28 -1.489 4.740 4.973 170 HB THR 28 HB THR 28 -0.539 6.303 6.764 171 HG1 THR 28 HG1 THR 28 -0.823 8.405 6.510 172 1HG2 THR 28 2HG2 THR 28 0.563 5.447 4.586 173 2HG2 THR 28 1HG2 THR 28 0.279 7.074 3.970 174 3HG2 THR 28 3HG2 THR 28 1.301 6.833 5.387 175 H GLY 29 H GLY 29 -3.614 4.230 4.944 176 1HA GLY 29 2HA GLY 29 -4.812 4.083 7.558 177 2HA GLY 29 1HA GLY 29 -5.830 4.914 6.373 178 H CYS 30 HN CAG 30 -4.272 3.019 4.273 179 HA CYS 30 HA CAG 30 -6.325 1.252 3.703 180 1HB CYS 30 2HB CAG 30 -4.099 1.810 2.538 181 2HB CYS 30 1HB CAG 30 -3.398 0.536 3.533 182 H ASN 31 H ASN 31 -7.283 -0.270 4.953 183 HA ASN 31 HA ASN 31 -5.584 -2.087 6.593 184 1HB ASN 31 2HB ASN 31 -7.101 0.106 7.575 185 2HB ASN 31 1HB ASN 31 -7.966 -1.358 8.042 186 1HD2 ASN 31 2HD2 ASN 31 -4.222 -0.667 9.580 187 2HD2 ASN 31 1HD2 ASN 31 -4.728 0.182 8.200 188 H SER 32 H SER 32 -7.644 -1.947 4.165 189 HA SER 32 HA SER 32 -9.266 -4.310 5.058 190 1HB SER 32 2HB SER 32 -9.892 -2.179 2.989 191 2HB SER 32 1HB SER 32 -10.967 -3.480 3.489 192 HG SER 32 HG SER 32 -10.043 -1.250 4.961 193 H ASP 33 H ASP 33 -9.925 -5.669 3.053 194 HA ASP 33 HA ASP 33 -7.472 -6.177 1.452 195 1HB ASP 33 2HB ASP 33 -9.765 -7.669 2.527 196 2HB ASP 33 1HB ASP 33 -9.352 -8.125 0.874 197 H ASP 34 H ASP 34 -10.931 -5.438 1.029 198 HA ASP 34 HA ASP 34 -10.574 -5.293 -1.890 199 1HB ASP 34 2HB ASP 34 -13.008 -4.876 -0.126 200 2HB ASP 34 1HB ASP 34 -13.035 -5.032 -1.883 201 H LYS 35 H LYS 35 -9.316 -3.484 -0.056 202 HA LYS 35 HA LYS 35 -10.226 -0.957 -1.298 203 1HB LYS 35 2HB LYS 35 -10.945 -1.360 1.189 204 2HB LYS 35 1HB LYS 35 -9.240 -1.104 1.556 205 1HG LYS 35 2HG LYS 35 -10.042 1.070 1.740 206 2HG LYS 35 1HG LYS 35 -9.561 1.043 0.043 207 1HD LYS 35 2HD LYS 35 -12.249 0.007 0.341 208 2HD LYS 35 1HD LYS 35 -12.123 1.611 1.066 209 1HE LYS 35 2HE LYS 35 -11.272 2.556 -0.997 210 2HE LYS 35 1HE LYS 35 -11.143 0.946 -1.732 211 1HZ LYS 35 2HZ LYS 35 -13.556 0.674 -1.288 212 2HZ LYS 35 1HZ LYS 35 -13.623 2.308 -0.828 213 3HZ LYS 35 3HZ LYS 35 -13.209 1.892 -2.419 214 H CYS 36 HN CAG 36 -8.237 -2.982 -1.773 215 HA CYS 36 HA CAG 36 -5.771 -1.293 -1.659 216 1HB CYS 36 2HB CAG 36 -6.078 -3.328 -0.061 217 2HB CYS 36 1HB CAG 36 -5.755 -4.258 -1.504 218 HA PRO 37 HA PRO 37 -6.445 -3.124 -5.757 219 1HB PRO 37 2HB PRO 37 -7.225 -0.847 -7.105 220 2HB PRO 37 1HB PRO 37 -8.370 -1.961 -6.335 221 1HG PRO 37 2HG PRO 37 -7.601 0.724 -5.524 222 2HG PRO 37 1HG PRO 37 -8.961 -0.266 -4.987 223 1HD PRO 37 2HD PRO 37 -6.454 0.225 -3.654 224 2HD PRO 37 1HD PRO 37 -7.880 -0.658 -3.065 225 H CYS 38 HN CAG 38 -4.254 -2.208 -4.230 226 HA CYS 38 HA CAG 38 -2.653 -0.378 -5.906 227 1HB CYS 38 2HB CAG 38 -2.492 -0.093 -3.634 228 2HB CYS 38 1HB CAG 38 -2.447 -1.806 -3.279 229 H GLY 39 H GLY 39 -1.032 -0.871 -7.045 230 1HA GLY 39 2HA GLY 39 -0.060 -3.679 -7.268 231 2HA GLY 39 1HA GLY 39 -0.509 -2.798 -8.734 232 H ASN 40 HN ASN 40 0.639 -0.601 -6.493 233 HA ASN 40 HA ASN 40 3.515 -0.959 -7.088 234 1HB ASN 40 2HB ASN 40 3.478 1.374 -8.193 235 2HB ASN 40 1HB ASN 40 2.836 0.033 -9.142 236 1HD2 ASN 40 2HD2 ASN 40 0.366 3.047 -7.996 237 2HD2 ASN 40 1HD2 ASN 40 2.006 3.041 -7.557 Start of MODEL 7 1 1H GLN 1 2H GLN 1 -4.744 9.015 -1.033 2 2H GLN 1 1H GLN 1 -5.813 10.196 -0.441 3 3H GLN 1 3H GLN 1 -5.513 10.084 -2.107 4 HA GLN 1 HA GLN 1 -4.288 11.953 -1.207 5 1HB GLN 1 2HB GLN 1 -3.881 9.879 0.840 6 2HB GLN 1 1HB GLN 1 -2.421 10.798 0.470 7 1HG GLN 1 2HG GLN 1 -4.238 12.813 0.592 8 2HG GLN 1 1HG GLN 1 -4.934 11.690 1.760 9 1HE2 GLN 1 2HE2 GLN 1 -1.584 11.740 3.531 10 2HE2 GLN 1 1HE2 GLN 1 -2.398 10.538 2.651 11 H ASN 2 H ASN 2 -1.636 11.978 -1.246 12 HA ASN 2 HA ASN 2 -0.911 10.855 -3.823 13 1HB ASN 2 2HB ASN 2 -0.155 12.992 -2.394 14 2HB ASN 2 1HB ASN 2 1.109 11.879 -1.869 15 1HD2 ASN 2 2HD2 ASN 2 0.989 13.034 -5.814 16 2HD2 ASN 2 1HD2 ASN 2 -0.409 13.179 -4.862 17 H GLU 3 H GLU 3 1.205 9.539 -3.999 18 HA GLU 3 HA GLU 3 1.191 7.389 -1.894 19 1HB GLU 3 2HB GLU 3 2.000 5.980 -3.835 20 2HB GLU 3 1HB GLU 3 0.413 6.690 -4.125 21 1HG GLU 3 2HG GLU 3 2.573 8.469 -4.952 22 2HG GLU 3 1HG GLU 3 2.628 6.920 -5.794 23 H GLY 4 H GLY 4 2.710 9.805 -1.767 24 1HA GLY 4 2HA GLY 4 5.510 8.866 -2.217 25 2HA GLY 4 1HA GLY 4 5.048 10.538 -1.852 26 H HIS 5 H HIS 5 4.112 7.457 -0.404 27 HA HIS 5 HA HIS 5 4.999 8.518 2.262 28 1HB HIS 5 2HB HIS 5 2.958 7.403 3.105 29 2HB HIS 5 1HB HIS 5 2.569 8.577 1.853 30 HD1 HIS 5 HD1 HIS 5 3.971 5.706 0.145 31 HD2 HIS 5 HD2 HIS 5 0.234 6.602 1.686 32 HE1 HIS 5 HE1 HIS 5 2.322 4.087 -0.882 33 H GLU 6 H GLU 6 4.778 6.504 3.878 34 HA GLU 6 HA GLU 6 6.584 4.402 2.818 35 1HB GLU 6 2HB GLU 6 5.511 5.121 5.565 36 2HB GLU 6 1HB GLU 6 6.598 3.763 5.264 37 1HG GLU 6 2HG GLU 6 8.388 5.126 5.224 38 2HG GLU 6 1HG GLU 6 7.627 6.157 4.011 39 H CYS 7 HN CNP 7 5.704 2.442 2.241 40 HA CYS 7 HA CNP 7 3.057 1.904 1.763 41 1HB CYS 7 2HB CNP 7 4.967 0.486 1.183 42 2HB CYS 7 1HB CNP 7 5.139 -0.010 2.859 43 H GLN 8 H GLN 8 1.368 2.296 3.158 44 HA GLN 8 HA GLN 8 1.730 1.614 6.043 45 1HB GLN 8 2HB GLN 8 0.033 3.410 4.380 46 2HB GLN 8 1HB GLN 8 -0.679 2.808 5.878 47 1HG GLN 8 2HG GLN 8 2.074 4.062 5.769 48 2HG GLN 8 1HG GLN 8 0.612 4.996 6.082 49 1HE2 GLN 8 2HE2 GLN 8 2.057 3.832 9.358 50 2HE2 GLN 8 1HE2 GLN 8 2.677 4.735 8.062 51 H CYS 9 HN CAG 9 1.215 -0.397 3.764 52 HA CYS 9 HA CAG 9 -1.487 -1.389 4.411 53 1HB CYS 9 2HB CAG 9 0.810 -2.249 2.651 54 2HB CYS 9 1HB CAG 9 -0.805 -2.972 2.592 55 H GLN 10 H GLN 10 -1.697 -2.737 6.196 56 HA GLN 10 HA GLN 10 0.704 -3.995 7.375 57 1HB GLN 10 2HB GLN 10 -2.106 -3.365 8.116 58 2HB GLN 10 1HB GLN 10 -1.401 -4.781 8.896 59 1HG GLN 10 2HG GLN 10 0.221 -3.541 9.997 60 2HG GLN 10 1HG GLN 10 0.215 -2.261 8.783 61 1HE2 GLN 10 2HE2 GLN 10 -2.974 -0.941 10.155 62 2HE2 GLN 10 1HE2 GLN 10 -2.421 -1.478 8.642 63 H CYS 11 HN CNP 11 -0.610 -4.907 4.742 64 HA CYS 11 HA CNP 11 -1.569 -7.590 5.390 65 1HB CYS 11 2HB CNP 11 -0.994 -6.581 2.641 66 2HB CYS 11 1HB CNP 11 -2.340 -7.506 3.227 67 H GLY 12 H GLY 12 -0.506 -9.402 4.211 68 1HA GLY 12 2HA GLY 12 2.385 -9.327 4.535 69 2HA GLY 12 1HA GLY 12 1.449 -10.714 3.975 70 H SER 13 H SER 13 0.219 -8.574 2.026 71 HA SER 13 HA SER 13 1.947 -9.272 -0.220 72 1HB SER 13 2HB SER 13 -0.250 -9.135 -0.890 73 2HB SER 13 1HB SER 13 -0.647 -7.926 0.328 74 HG SER 13 HG SER 13 0.296 -7.634 -2.260 75 H CYS 14 HN CAG 14 1.200 -6.287 1.606 76 HA CYS 14 HA CAG 14 3.182 -4.783 0.036 77 1HB CYS 14 2HB CAG 14 1.269 -3.917 2.239 78 2HB CYS 14 1HB CAG 14 2.014 -2.961 1.004 79 H LYS 15 H LYS 15 2.289 -5.115 3.460 80 HA LYS 15 HA LYS 15 4.347 -3.991 4.828 81 1HB LYS 15 2HB LYS 15 3.687 -5.379 6.581 82 2HB LYS 15 1HB LYS 15 2.331 -5.585 5.481 83 1HG LYS 15 2HG LYS 15 3.373 -7.640 4.582 84 2HG LYS 15 1HG LYS 15 4.732 -7.429 5.684 85 1HD LYS 15 2HD LYS 15 2.581 -7.254 7.391 86 2HD LYS 15 1HD LYS 15 2.034 -8.461 6.227 87 1HE LYS 15 2HE LYS 15 4.833 -8.704 7.267 88 2HE LYS 15 1HE LYS 15 3.496 -9.190 8.329 89 1HZ LYS 15 3HZ LYS 15 2.584 -10.474 6.446 90 2HZ LYS 15 2HZ LYS 15 3.979 -10.114 5.545 91 3HZ LYS 15 1HZ LYS 15 4.094 -11.052 6.958 92 H ASN 16 H ASN 16 4.675 -6.909 2.852 93 HA ASN 16 HA ASN 16 7.544 -7.103 3.704 94 1HB ASN 16 2HB ASN 16 5.441 -8.962 3.552 95 2HB ASN 16 1HB ASN 16 6.496 -9.348 2.192 96 1HD2 ASN 16 2HD2 ASN 16 7.813 -11.121 5.218 97 2HD2 ASN 16 1HD2 ASN 16 6.351 -11.155 4.357 98 H ASN 17 H ASN 17 5.489 -7.577 0.781 99 HA ASN 17 HA ASN 17 7.488 -7.746 -1.178 100 1HB ASN 17 2HB ASN 17 4.954 -7.900 -1.379 101 2HB ASN 17 1HB ASN 17 4.939 -6.137 -1.425 102 1HD2 ASN 17 2HD2 ASN 17 5.119 -6.922 -4.965 103 2HD2 ASN 17 1HD2 ASN 17 3.987 -6.771 -3.710 104 H GLU 18 H GLU 18 9.242 -6.444 -1.284 105 HA GLU 18 HA GLU 18 9.129 -3.616 -0.557 106 1HB GLU 18 2HB GLU 18 11.218 -5.467 -1.732 107 2HB GLU 18 1HB GLU 18 11.545 -3.778 -1.341 108 1HG GLU 18 2HG GLU 18 10.244 -4.923 0.914 109 2HG GLU 18 1HG GLU 18 11.520 -6.040 0.426 110 H GLN 19 H GLN 19 7.916 -5.146 -3.150 111 HA GLN 19 HA GLN 19 8.998 -3.361 -5.236 112 1HB GLN 19 2HB GLN 19 7.633 -5.898 -5.039 113 2HB GLN 19 1HB GLN 19 6.814 -4.853 -6.200 114 1HG GLN 19 2HG GLN 19 9.811 -5.201 -6.242 115 2HG GLN 19 1HG GLN 19 8.742 -6.318 -7.092 116 1HE2 GLN 19 2HE2 GLN 19 9.611 -3.597 -9.488 117 2HE2 GLN 19 1HE2 GLN 19 10.477 -4.799 -8.658 118 H CYS 20 HN CAG 20 6.341 -3.575 -3.151 119 HA CYS 20 HA CAG 20 5.035 -1.227 -4.442 120 1HB CYS 20 2HB CAG 20 2.963 -2.305 -4.006 121 2HB CYS 20 1HB CAG 20 4.007 -3.582 -4.605 122 H GLN 21 H GLN 21 6.892 -2.040 -1.922 123 HA GLN 21 HA GLN 21 5.314 -0.995 0.312 124 1HB GLN 21 2HB GLN 21 7.741 -2.465 -0.200 125 2HB GLN 21 1HB GLN 21 8.065 -1.155 0.934 126 1HG GLN 21 2HG GLN 21 5.574 -2.327 1.672 127 2HG GLN 21 1HG GLN 21 6.729 -3.639 1.432 128 1HE2 GLN 21 2HE2 GLN 21 8.994 -2.264 3.979 129 2HE2 GLN 21 1HE2 GLN 21 9.085 -2.858 2.391 130 H LYS 22 H LYS 22 6.152 0.818 -2.136 131 HA LYS 22 HA LYS 22 6.854 3.108 -0.422 132 1HB LYS 22 2HB LYS 22 8.937 3.539 -1.750 133 2HB LYS 22 1HB LYS 22 8.999 2.093 -0.743 134 1HG LYS 22 2HG LYS 22 8.534 0.674 -2.646 135 2HG LYS 22 1HG LYS 22 8.254 2.078 -3.676 136 1HD LYS 22 2HD LYS 22 10.831 2.291 -2.382 137 2HD LYS 22 1HD LYS 22 10.707 0.756 -3.243 138 1HE LYS 22 2HE LYS 22 10.548 1.775 -5.312 139 2HE LYS 22 1HE LYS 22 9.734 3.210 -4.656 140 1HZ LYS 22 2HZ LYS 22 12.531 2.516 -3.969 141 2HZ LYS 22 1HZ LYS 22 12.147 3.509 -5.293 142 3HZ LYS 22 3HZ LYS 22 11.728 3.993 -3.723 143 H SER 23 H SER 23 5.053 2.090 -2.909 144 HA SER 23 HA SER 23 4.942 4.840 -4.020 145 1HB SER 23 2HB SER 23 5.702 2.332 -5.484 146 2HB SER 23 1HB SER 23 4.904 3.637 -6.356 147 HG SER 23 HG SER 23 7.239 3.752 -6.319 148 H CYS 24 HN CNP 24 2.965 3.666 -2.441 149 HA CYS 24 HA CNP 24 0.816 3.115 -4.388 150 1HB CYS 24 2HB CNP 24 -0.178 2.300 -2.074 151 2HB CYS 24 1HB CNP 24 0.779 1.289 -3.086 152 H SER 25 H SER 25 -1.163 4.263 -4.149 153 HA SER 25 HA SER 25 -0.851 6.861 -2.761 154 1HB SER 25 2HB SER 25 -2.782 7.468 -4.066 155 2HB SER 25 1HB SER 25 -1.798 6.456 -5.119 156 HG SER 25 HG SER 25 -3.673 5.454 -5.278 157 H CYS 26 HN CAG 26 -1.376 4.013 -1.547 158 HA CYS 26 HA CAG 26 -3.861 3.816 -0.327 159 1HB CYS 26 2HB CAG 26 -0.996 3.205 0.338 160 2HB CYS 26 1HB CAG 26 -2.250 2.869 1.520 161 HA PRO 27 HA PRO 27 -3.664 7.644 2.032 162 1HB PRO 27 2HB PRO 27 -6.143 7.342 3.178 163 2HB PRO 27 1HB PRO 27 -5.918 7.984 1.537 164 1HG PRO 27 2HG PRO 27 -6.642 5.221 2.403 165 2HG PRO 27 1HG PRO 27 -7.295 6.188 1.069 166 1HD PRO 27 2HD PRO 27 -5.480 4.238 0.660 167 2HD PRO 27 1HD PRO 27 -5.507 5.721 -0.323 168 H THR 28 H THR 28 -2.032 6.773 3.300 169 HA THR 28 HA THR 28 -1.585 4.778 4.898 170 HB THR 28 HB THR 28 -0.511 6.405 6.524 171 HG1 THR 28 HG1 THR 28 -2.398 7.942 5.808 172 1HG2 THR 28 2HG2 THR 28 0.172 5.698 4.017 173 2HG2 THR 28 1HG2 THR 28 0.012 7.438 3.784 174 3HG2 THR 28 3HG2 THR 28 1.144 6.809 4.981 175 H GLY 29 H GLY 29 -3.751 4.221 5.055 176 1HA GLY 29 2HA GLY 29 -4.636 4.004 7.783 177 2HA GLY 29 1HA GLY 29 -5.796 4.847 6.748 178 H CYS 30 HN CAG 30 -4.282 2.882 4.554 179 HA CYS 30 HA CAG 30 -6.292 1.245 3.817 180 1HB CYS 30 2HB CAG 30 -3.930 1.443 2.953 181 2HB CYS 30 1HB CAG 30 -3.447 0.298 4.202 182 H ASN 31 H ASN 31 -7.615 -0.138 4.851 183 HA ASN 31 HA ASN 31 -6.508 -2.057 6.835 184 1HB ASN 31 2HB ASN 31 -8.025 0.330 7.420 185 2HB ASN 31 1HB ASN 31 -8.969 -1.089 7.874 186 1HD2 ASN 31 2HD2 ASN 31 -5.769 -0.037 10.104 187 2HD2 ASN 31 1HD2 ASN 31 -6.314 0.914 8.807 188 H SER 32 H SER 32 -7.993 -1.778 4.048 189 HA SER 32 HA SER 32 -10.037 -3.907 4.606 190 1HB SER 32 2HB SER 32 -10.216 -1.291 3.405 191 2HB SER 32 1HB SER 32 -10.625 -2.513 2.204 192 HG SER 32 HG SER 32 -12.491 -2.229 3.253 193 H ASP 33 H ASP 33 -10.542 -5.020 2.331 194 HA ASP 33 HA ASP 33 -7.897 -5.825 1.203 195 1HB ASP 33 2HB ASP 33 -10.626 -7.076 1.484 196 2HB ASP 33 1HB ASP 33 -9.457 -7.737 0.341 197 H ASP 34 H ASP 34 -11.123 -4.668 0.283 198 HA ASP 34 HA ASP 34 -10.346 -4.590 -2.559 199 1HB ASP 34 2HB ASP 34 -12.694 -4.179 -2.952 200 2HB ASP 34 1HB ASP 34 -12.613 -5.394 -1.675 201 H LYS 35 H LYS 35 -9.151 -2.959 -0.529 202 HA LYS 35 HA LYS 35 -9.522 -0.332 -1.841 203 1HB LYS 35 2HB LYS 35 -10.293 -1.018 0.805 204 2HB LYS 35 1HB LYS 35 -8.803 -0.088 0.965 205 1HG LYS 35 2HG LYS 35 -9.853 1.622 -0.612 206 2HG LYS 35 1HG LYS 35 -11.373 0.755 -0.390 207 1HD LYS 35 2HD LYS 35 -11.608 1.443 1.790 208 2HD LYS 35 1HD LYS 35 -9.867 1.472 2.077 209 1HE LYS 35 2HE LYS 35 -10.781 3.451 0.082 210 2HE LYS 35 1HE LYS 35 -11.391 3.728 1.726 211 1HZ LYS 35 2HZ LYS 35 -8.609 2.896 1.470 212 2HZ LYS 35 1HZ LYS 35 -8.969 4.482 0.977 213 3HZ LYS 35 3HZ LYS 35 -9.317 3.988 2.562 214 H CYS 36 HN CAG 36 -7.783 -2.575 -2.137 215 HA CYS 36 HA CAG 36 -5.163 -1.273 -1.551 216 1HB CYS 36 2HB CAG 36 -6.059 -3.312 -0.152 217 2HB CYS 36 1HB CAG 36 -5.503 -4.216 -1.531 218 HA PRO 37 HA PRO 37 -5.346 -2.758 -5.812 219 1HB PRO 37 2HB PRO 37 -5.357 -0.267 -7.013 220 2HB PRO 37 1HB PRO 37 -6.827 -1.160 -6.582 221 1HG PRO 37 2HG PRO 37 -5.769 1.250 -5.388 222 2HG PRO 37 1HG PRO 37 -7.324 0.458 -5.115 223 1HD PRO 37 2HD PRO 37 -4.913 0.377 -3.496 224 2HD PRO 37 1HD PRO 37 -6.568 -0.141 -3.098 225 H CYS 38 HN CAG 38 -3.300 -2.703 -3.988 226 HA CYS 38 HA CAG 38 -1.057 -1.063 -4.899 227 1HB CYS 38 2HB CAG 38 -1.893 -2.207 -2.666 228 2HB CYS 38 1HB CAG 38 -0.816 -3.472 -3.206 229 H GLY 39 H GLY 39 -2.420 -3.330 -6.357 230 1HA GLY 39 2HA GLY 39 -0.238 -5.177 -6.985 231 2HA GLY 39 1HA GLY 39 -1.831 -5.186 -7.743 232 H ASN 40 HN ASN 40 0.297 -2.346 -7.542 233 HA ASN 40 HA ASN 40 0.283 -2.236 -10.521 234 1HB ASN 40 2HB ASN 40 0.784 0.120 -10.153 235 2HB ASN 40 1HB ASN 40 -0.533 -0.340 -9.073 236 1HD2 ASN 40 2HD2 ASN 40 1.326 0.261 -6.129 237 2HD2 ASN 40 1HD2 ASN 40 -0.148 -0.242 -6.804 Start of MODEL 8 1 1H GLN 1 3H GLN 1 0.855 12.501 1.438 2 2H GLN 1 2H GLN 1 0.361 13.793 0.453 3 3H GLN 1 1H GLN 1 0.010 13.806 2.116 4 HA GLN 1 HA GLN 1 -1.530 12.003 1.893 5 1HB GLN 1 2HB GLN 1 -1.867 14.036 -0.336 6 2HB GLN 1 1HB GLN 1 -3.156 13.207 0.538 7 1HG GLN 1 2HG GLN 1 -1.748 14.303 2.606 8 2HG GLN 1 1HG GLN 1 -1.517 15.524 1.356 9 1HE2 GLN 1 2HE2 GLN 1 -4.652 16.659 2.746 10 2HE2 GLN 1 1HE2 GLN 1 -2.974 16.811 2.946 11 H ASN 2 H ASN 2 0.159 12.756 -1.155 12 HA ASN 2 HA ASN 2 -1.009 10.710 -2.767 13 1HB ASN 2 2HB ASN 2 0.601 12.767 -3.220 14 2HB ASN 2 1HB ASN 2 1.861 11.546 -3.032 15 1HD2 ASN 2 2HD2 ASN 2 1.191 11.271 -6.584 16 2HD2 ASN 2 1HD2 ASN 2 2.113 12.172 -5.480 17 H GLU 3 H GLU 3 1.746 9.561 -3.467 18 HA GLU 3 HA GLU 3 1.746 7.453 -1.332 19 1HB GLU 3 2HB GLU 3 2.563 5.996 -3.115 20 2HB GLU 3 1HB GLU 3 1.170 6.881 -3.739 21 1HG GLU 3 2HG GLU 3 3.537 8.443 -4.175 22 2HG GLU 3 1HG GLU 3 3.801 6.815 -4.802 23 H GLY 4 H GLY 4 3.126 9.983 -1.224 24 1HA GLY 4 2HA GLY 4 5.996 9.199 -1.417 25 2HA GLY 4 1HA GLY 4 5.405 10.836 -1.069 26 H HIS 5 H HIS 5 4.570 7.674 0.243 27 HA HIS 5 HA HIS 5 5.203 8.696 2.995 28 1HB HIS 5 2HB HIS 5 3.076 7.665 3.651 29 2HB HIS 5 1HB HIS 5 2.803 8.781 2.317 30 HD1 HIS 5 HD1 HIS 5 4.321 5.926 0.754 31 HD2 HIS 5 HD2 HIS 5 0.498 6.710 2.133 32 HE1 HIS 5 HE1 HIS 5 2.803 4.154 -0.207 33 H GLU 6 H GLU 6 4.815 6.626 4.529 34 HA GLU 6 HA GLU 6 6.642 4.519 3.507 35 1HB GLU 6 2HB GLU 6 6.509 3.748 5.881 36 2HB GLU 6 1HB GLU 6 7.059 5.417 5.742 37 1HG GLU 6 2HG GLU 6 4.218 5.475 5.857 38 2HG GLU 6 1HG GLU 6 4.770 4.407 7.146 39 H CYS 7 HN CNP 7 5.684 2.756 2.621 40 HA CYS 7 HA CNP 7 2.963 2.399 2.181 41 1HB CYS 7 2HB CNP 7 4.903 1.110 1.246 42 2HB CYS 7 1HB CNP 7 4.958 0.183 2.739 43 H GLN 8 H GLN 8 1.317 2.344 3.672 44 HA GLN 8 HA GLN 8 1.936 1.005 6.302 45 1HB GLN 8 2HB GLN 8 0.524 3.502 5.493 46 2HB GLN 8 1HB GLN 8 -0.095 2.643 6.906 47 1HG GLN 8 2HG GLN 8 2.501 2.548 7.523 48 2HG GLN 8 1HG GLN 8 2.538 3.997 6.517 49 1HE2 GLN 8 2HE2 GLN 8 1.574 5.816 9.388 50 2HE2 GLN 8 1HE2 GLN 8 2.741 5.584 8.177 51 H CYS 9 HN CAG 9 0.872 -0.381 3.952 52 HA CYS 9 HA CAG 9 -1.973 -0.868 4.710 53 1HB CYS 9 2HB CAG 9 -0.240 -1.817 2.434 54 2HB CYS 9 1HB CAG 9 -1.992 -1.999 2.522 55 H GLN 10 H GLN 10 -2.611 -2.953 5.455 56 HA GLN 10 HA GLN 10 -0.385 -4.682 6.408 57 1HB GLN 10 2HB GLN 10 -2.813 -3.741 7.454 58 2HB GLN 10 1HB GLN 10 -3.090 -5.456 7.148 59 1HG GLN 10 2HG GLN 10 -1.036 -6.013 8.403 60 2HG GLN 10 1HG GLN 10 -0.765 -4.298 8.715 61 1HE2 GLN 10 2HE2 GLN 10 -3.524 -4.069 11.051 62 2HE2 GLN 10 1HE2 GLN 10 -2.719 -3.167 9.860 63 H CYS 11 HN CNP 11 -1.473 -4.617 3.519 64 HA CYS 11 HA CNP 11 -2.813 -7.160 3.157 65 1HB CYS 11 2HB CNP 11 -1.412 -5.519 1.061 66 2HB CYS 11 1HB CNP 11 -2.883 -6.434 0.940 67 H GLY 12 H GLY 12 -1.758 -8.695 1.543 68 1HA GLY 12 2HA GLY 12 0.872 -9.479 2.501 69 2HA GLY 12 1HA GLY 12 -0.044 -10.290 1.227 70 H SER 13 H SER 13 -0.242 -7.270 0.200 71 HA SER 13 HA SER 13 2.043 -7.559 -1.650 72 1HB SER 13 2HB SER 13 -0.606 -6.544 -1.695 73 2HB SER 13 1HB SER 13 0.456 -5.165 -1.960 74 HG SER 13 HG SER 13 1.444 -7.125 -3.388 75 H CYS 14 HN CAG 14 0.941 -5.397 0.956 76 HA CYS 14 HA CAG 14 3.273 -3.643 0.575 77 1HB CYS 14 2HB CAG 14 0.771 -3.671 2.288 78 2HB CYS 14 1HB CAG 14 1.960 -2.411 2.322 79 H LYS 15 H LYS 15 1.685 -5.512 3.158 80 HA LYS 15 HA LYS 15 3.369 -5.255 5.295 81 1HB LYS 15 2HB LYS 15 2.443 -7.291 6.025 82 2HB LYS 15 1HB LYS 15 1.282 -6.745 4.823 83 1HG LYS 15 2HG LYS 15 2.220 -8.219 3.151 84 2HG LYS 15 1HG LYS 15 3.560 -8.646 4.218 85 1HD LYS 15 2HD LYS 15 0.640 -9.205 4.814 86 2HD LYS 15 1HD LYS 15 1.782 -10.394 4.187 87 1HE LYS 15 2HE LYS 15 2.919 -9.072 6.501 88 2HE LYS 15 1HE LYS 15 1.336 -9.768 6.902 89 1HZ LYS 15 2HZ LYS 15 2.145 -11.764 5.550 90 2HZ LYS 15 1HZ LYS 15 3.702 -11.116 5.755 91 3HZ LYS 15 3HZ LYS 15 2.784 -11.562 7.110 92 H ASN 16 H ASN 16 4.090 -7.344 2.442 93 HA ASN 16 HA ASN 16 6.884 -7.521 3.524 94 1HB ASN 16 2HB ASN 16 6.802 -9.846 2.349 95 2HB ASN 16 1HB ASN 16 5.987 -9.656 3.900 96 1HD2 ASN 16 2HD2 ASN 16 2.915 -10.658 2.527 97 2HD2 ASN 16 1HD2 ASN 16 3.946 -10.591 3.875 98 H ASN 17 H ASN 17 4.879 -7.579 0.554 99 HA ASN 17 HA ASN 17 7.068 -7.652 -1.305 100 1HB ASN 17 2HB ASN 17 4.221 -7.440 -1.280 101 2HB ASN 17 1HB ASN 17 4.843 -6.145 -2.303 102 1HD2 ASN 17 2HD2 ASN 17 5.898 -9.982 -3.378 103 2HD2 ASN 17 1HD2 ASN 17 5.817 -9.585 -1.729 104 H GLU 18 H GLU 18 8.701 -6.158 -0.846 105 HA GLU 18 HA GLU 18 8.080 -3.380 -0.204 106 1HB GLU 18 2HB GLU 18 10.566 -3.193 -0.260 107 2HB GLU 18 1HB GLU 18 10.025 -4.552 0.723 108 1HG GLU 18 2HG GLU 18 10.283 -5.434 -1.995 109 2HG GLU 18 1HG GLU 18 11.772 -4.615 -1.521 110 H GLN 19 H GLN 19 7.690 -4.949 -3.005 111 HA GLN 19 HA GLN 19 9.110 -3.210 -4.847 112 1HB GLN 19 2HB GLN 19 8.084 -5.669 -5.020 113 2HB GLN 19 1HB GLN 19 6.693 -4.770 -5.629 114 1HG GLN 19 2HG GLN 19 8.590 -3.560 -7.073 115 2HG GLN 19 1HG GLN 19 9.406 -5.104 -6.826 116 1HE2 GLN 19 2HE2 GLN 19 6.164 -6.600 -8.287 117 2HE2 GLN 19 1HE2 GLN 19 6.659 -6.474 -6.668 118 H CYS 20 HN CAG 20 6.136 -3.138 -3.214 119 HA CYS 20 HA CAG 20 5.277 -0.712 -4.724 120 1HB CYS 20 2HB CAG 20 3.045 -1.532 -4.422 121 2HB CYS 20 1HB CAG 20 4.013 -2.900 -4.949 122 H GLN 21 H GLN 21 6.698 -1.572 -1.929 123 HA GLN 21 HA GLN 21 5.008 -0.107 -0.011 124 1HB GLN 21 2HB GLN 21 7.592 -1.635 -0.011 125 2HB GLN 21 1HB GLN 21 7.185 -0.622 1.370 126 1HG GLN 21 2HG GLN 21 5.039 -1.818 1.617 127 2HG GLN 21 1HG GLN 21 5.456 -2.844 0.242 128 1HE2 GLN 21 2HE2 GLN 21 7.630 -3.315 3.712 129 2HE2 GLN 21 1HE2 GLN 21 6.986 -1.788 3.348 130 H LYS 22 H LYS 22 6.349 1.309 -2.419 131 HA LYS 22 HA LYS 22 7.610 3.446 -0.772 132 1HB LYS 22 2HB LYS 22 9.459 3.531 -2.468 133 2HB LYS 22 1HB LYS 22 9.416 2.035 -1.535 134 1HG LYS 22 2HG LYS 22 7.722 1.533 -3.692 135 2HG LYS 22 1HG LYS 22 9.064 2.432 -4.402 136 1HD LYS 22 2HD LYS 22 9.702 0.244 -2.463 137 2HD LYS 22 1HD LYS 22 9.202 -0.205 -4.095 138 1HE LYS 22 2HE LYS 22 10.972 1.578 -4.857 139 2HE LYS 22 1HE LYS 22 11.639 1.338 -3.231 140 1HZ LYS 22 1HZ LYS 22 11.627 -1.051 -3.618 141 2HZ LYS 22 3HZ LYS 22 11.019 -0.816 -5.184 142 3HZ LYS 22 2HZ LYS 22 12.575 -0.262 -4.788 143 H SER 23 H SER 23 5.324 2.760 -3.036 144 HA SER 23 HA SER 23 5.135 5.584 -3.768 145 1HB SER 23 2HB SER 23 6.359 3.564 -5.502 146 2HB SER 23 1HB SER 23 5.068 4.456 -6.302 147 HG SER 23 HG SER 23 6.247 6.343 -5.218 148 H CYS 24 HN CNP 24 3.410 3.713 -2.473 149 HA CYS 24 HA CNP 24 1.160 3.424 -4.359 150 1HB CYS 24 2HB CNP 24 0.629 1.649 -2.998 151 2HB CYS 24 1HB CNP 24 2.352 1.660 -2.819 152 H SER 25 H SER 25 -0.400 4.971 -4.239 153 HA SER 25 HA SER 25 -0.209 7.172 -2.403 154 1HB SER 25 2HB SER 25 -2.287 7.871 -3.513 155 2HB SER 25 1HB SER 25 -1.162 7.217 -4.700 156 HG SER 25 HG SER 25 -3.548 6.472 -4.506 157 H CYS 26 HN CAG 26 -1.015 4.176 -1.428 158 HA CYS 26 HA CAG 26 -3.489 4.321 -0.139 159 1HB CYS 26 2HB CAG 26 -0.769 3.138 0.394 160 2HB CYS 26 1HB CAG 26 -2.097 2.898 1.538 161 HA PRO 27 HA PRO 27 -2.415 7.908 2.400 162 1HB PRO 27 2HB PRO 27 -4.931 8.162 3.480 163 2HB PRO 27 1HB PRO 27 -4.494 8.816 1.887 164 1HG PRO 27 2HG PRO 27 -5.881 6.257 2.565 165 2HG PRO 27 1HG PRO 27 -6.256 7.435 1.295 166 1HD PRO 27 2HD PRO 27 -4.952 5.156 0.744 167 2HD PRO 27 1HD PRO 27 -4.561 6.675 -0.097 168 H THR 28 H THR 28 -1.089 6.887 3.832 169 HA THR 28 HA THR 28 -1.079 4.775 5.385 170 HB THR 28 HB THR 28 -0.117 6.362 7.250 171 HG1 THR 28 HG1 THR 28 -1.036 8.265 6.692 172 1HG2 THR 28 2HG2 THR 28 0.794 5.486 4.653 173 2HG2 THR 28 1HG2 THR 28 1.554 7.018 5.083 174 3HG2 THR 28 3HG2 THR 28 1.702 5.628 6.158 175 H GLY 29 H GLY 29 -3.254 4.479 5.350 176 1HA GLY 29 2HA GLY 29 -4.442 4.422 7.967 177 2HA GLY 29 1HA GLY 29 -5.378 5.377 6.809 178 H CYS 30 HN CAG 30 -4.042 3.364 4.653 179 HA CYS 30 HA CAG 30 -6.334 1.826 4.175 180 1HB CYS 30 2HB CAG 30 -4.197 2.292 2.837 181 2HB CYS 30 1HB CAG 30 -3.518 0.890 3.657 182 H ASN 31 H ASN 31 -7.220 0.777 5.915 183 HA ASN 31 HA ASN 31 -5.594 -1.383 7.229 184 1HB ASN 31 2HB ASN 31 -7.486 0.666 8.149 185 2HB ASN 31 1HB ASN 31 -7.914 -0.949 8.717 186 1HD2 ASN 31 2HD2 ASN 31 -4.204 0.484 9.805 187 2HD2 ASN 31 1HD2 ASN 31 -4.827 0.894 8.281 188 H SER 32 H SER 32 -9.064 -0.703 6.722 189 HA SER 32 HA SER 32 -9.518 -3.532 5.914 190 1HB SER 32 2HB SER 32 -11.778 -1.675 5.822 191 2HB SER 32 1HB SER 32 -11.579 -3.127 6.800 192 HG SER 32 HG SER 32 -11.703 -1.212 8.066 193 H ASP 33 H ASP 33 -8.405 -3.400 3.875 194 HA ASP 33 HA ASP 33 -10.007 -2.090 1.755 195 1HB ASP 33 2HB ASP 33 -7.005 -1.807 2.052 196 2HB ASP 33 1HB ASP 33 -8.035 -1.000 0.869 197 H ASP 34 H ASP 34 -10.474 -4.434 1.541 198 HA ASP 34 HA ASP 34 -8.360 -6.166 0.543 199 1HB ASP 34 2HB ASP 34 -10.044 -7.869 0.605 200 2HB ASP 34 1HB ASP 34 -10.389 -6.828 1.987 201 H LYS 35 H LYS 35 -9.263 -3.700 -0.775 202 HA LYS 35 HA LYS 35 -9.728 -4.770 -3.509 203 1HB LYS 35 2HB LYS 35 -10.878 -2.516 -1.952 204 2HB LYS 35 1HB LYS 35 -10.381 -2.089 -3.589 205 1HG LYS 35 2HG LYS 35 -12.310 -2.979 -4.331 206 2HG LYS 35 1HG LYS 35 -11.701 -4.559 -3.838 207 1HD LYS 35 2HD LYS 35 -13.923 -4.022 -2.827 208 2HD LYS 35 1HD LYS 35 -12.667 -4.286 -1.616 209 1HE LYS 35 2HE LYS 35 -12.465 -1.560 -2.146 210 2HE LYS 35 1HE LYS 35 -14.214 -1.863 -2.161 211 1HZ LYS 35 2HZ LYS 35 -12.540 -3.136 -0.103 212 2HZ LYS 35 1HZ LYS 35 -13.000 -1.512 0.096 213 3HZ LYS 35 3HZ LYS 35 -14.185 -2.717 -0.042 214 H CYS 36 HN CAG 36 -7.395 -4.634 -1.971 215 HA CYS 36 HA CAG 36 -5.759 -2.514 -3.302 216 1HB CYS 36 2HB CAG 36 -6.008 -2.535 -0.756 217 2HB CYS 36 1HB CAG 36 -5.110 -4.049 -0.818 218 HA PRO 37 HA PRO 37 -3.843 -6.361 -4.553 219 1HB PRO 37 2HB PRO 37 -4.629 -6.232 -7.217 220 2HB PRO 37 1HB PRO 37 -5.584 -7.036 -5.954 221 1HG PRO 37 2HG PRO 37 -6.260 -4.654 -7.388 222 2HG PRO 37 1HG PRO 37 -7.175 -5.459 -6.106 223 1HD PRO 37 2HD PRO 37 -5.341 -3.146 -5.936 224 2HD PRO 37 1HD PRO 37 -6.745 -3.576 -4.932 225 H CYS 38 HN CAG 38 -3.090 -3.700 -4.049 226 HA CYS 38 HA CAG 38 -1.594 -2.542 -6.262 227 1HB CYS 38 2HB CAG 38 -2.390 -1.042 -4.810 228 2HB CYS 38 1HB CAG 38 -2.300 -2.101 -3.432 229 H GLY 39 H GLY 39 0.299 -2.840 -6.799 230 1HA GLY 39 2HA GLY 39 2.412 -3.853 -5.027 231 2HA GLY 39 1HA GLY 39 2.008 -4.909 -6.383 232 H ASN 40 HN ASN 40 1.509 -1.575 -7.002 233 HA ASN 40 HA ASN 40 3.667 -1.596 -8.998 234 1HB ASN 40 2HB ASN 40 2.547 0.278 -9.841 235 2HB ASN 40 1HB ASN 40 1.237 -0.577 -9.032 236 1HD2 ASN 40 2HD2 ASN 40 1.116 1.802 -6.292 237 2HD2 ASN 40 1HD2 ASN 40 0.952 0.142 -6.599 Start of MODEL 9 1 1H GLN 1 3H GLN 1 1.958 13.306 -5.232 2 2H GLN 1 2H GLN 1 1.971 11.942 -6.245 3 3H GLN 1 1H GLN 1 1.028 13.296 -6.651 4 HA GLN 1 HA GLN 1 -0.652 12.732 -5.266 5 1HB GLN 1 2HB GLN 1 0.511 10.682 -6.659 6 2HB GLN 1 1HB GLN 1 0.487 10.012 -5.027 7 1HG GLN 1 2HG GLN 1 -1.874 10.254 -4.848 8 2HG GLN 1 1HG GLN 1 -1.949 11.305 -6.263 9 1HE2 GLN 1 2HE2 GLN 1 -1.765 8.605 -8.606 10 2HE2 GLN 1 1HE2 GLN 1 -1.487 10.268 -8.408 11 H ASN 2 H ASN 2 -1.149 11.179 -3.190 12 HA ASN 2 HA ASN 2 0.528 12.287 -1.029 13 1HB ASN 2 2HB ASN 2 -2.080 10.788 -1.265 14 2HB ASN 2 1HB ASN 2 -1.329 11.058 0.308 15 1HD2 ASN 2 2HD2 ASN 2 -3.500 13.981 -0.100 16 2HD2 ASN 2 1HD2 ASN 2 -3.638 12.331 0.270 17 H GLU 3 H GLU 3 1.371 9.939 -2.904 18 HA GLU 3 HA GLU 3 1.651 7.748 -0.916 19 1HB GLU 3 2HB GLU 3 2.423 6.491 -2.845 20 2HB GLU 3 1HB GLU 3 1.052 7.452 -3.393 21 1HG GLU 3 2HG GLU 3 3.306 9.110 -3.690 22 2HG GLU 3 1HG GLU 3 3.797 7.527 -4.296 23 H GLY 4 H GLY 4 2.974 10.231 -0.443 24 1HA GLY 4 2HA GLY 4 5.854 9.594 -0.875 25 2HA GLY 4 1HA GLY 4 5.228 11.143 -0.275 26 H HIS 5 H HIS 5 4.444 7.842 0.664 27 HA HIS 5 HA HIS 5 5.288 8.480 3.472 28 1HB HIS 5 2HB HIS 5 3.201 7.338 4.106 29 2HB HIS 5 1HB HIS 5 2.855 8.652 2.985 30 HD1 HIS 5 HD1 HIS 5 4.271 5.984 0.983 31 HD2 HIS 5 HD2 HIS 5 0.501 6.745 2.508 32 HE1 HIS 5 HE1 HIS 5 2.692 4.373 -0.139 33 H GLU 6 H GLU 6 4.938 6.182 4.713 34 HA GLU 6 HA GLU 6 6.699 4.241 3.304 35 1HB GLU 6 2HB GLU 6 5.629 4.517 6.130 36 2HB GLU 6 1HB GLU 6 6.580 3.131 5.593 37 1HG GLU 6 2HG GLU 6 8.478 4.511 5.103 38 2HG GLU 6 1HG GLU 6 7.538 5.987 5.321 39 H CYS 7 HN CNP 7 5.688 2.459 2.345 40 HA CYS 7 HA CNP 7 2.931 2.285 1.937 41 1HB CYS 7 2HB CNP 7 4.328 0.904 0.646 42 2HB CYS 7 1HB CNP 7 5.137 0.232 2.055 43 H GLN 8 H GLN 8 1.373 2.281 3.497 44 HA GLN 8 HA GLN 8 1.940 0.859 6.067 45 1HB GLN 8 2HB GLN 8 1.549 3.240 6.230 46 2HB GLN 8 1HB GLN 8 0.098 3.114 5.236 47 1HG GLN 8 2HG GLN 8 -1.173 2.327 6.952 48 2HG GLN 8 1HG GLN 8 0.156 1.394 7.643 49 1HE2 GLN 8 2HE2 GLN 8 1.492 4.366 9.353 50 2HE2 GLN 8 1HE2 GLN 8 2.070 3.115 8.363 51 H CYS 9 HN CAG 9 0.899 -0.431 3.540 52 HA CYS 9 HA CAG 9 -1.935 -0.949 3.942 53 1HB CYS 9 2HB CAG 9 0.368 -2.048 2.361 54 2HB CYS 9 1HB CAG 9 -1.243 -2.765 2.226 55 H GLN 10 H GLN 10 -2.800 -2.583 5.253 56 HA GLN 10 HA GLN 10 -0.919 -4.175 6.891 57 1HB GLN 10 2HB GLN 10 -3.927 -3.777 6.834 58 2HB GLN 10 1HB GLN 10 -3.112 -4.823 7.997 59 1HG GLN 10 2HG GLN 10 -2.215 -1.972 7.650 60 2HG GLN 10 1HG GLN 10 -3.608 -2.345 8.666 61 1HE2 GLN 10 2HE2 GLN 10 -0.916 -2.574 11.088 62 2HE2 GLN 10 1HE2 GLN 10 -1.934 -1.430 10.354 63 H CYS 11 HN CNP 11 -1.704 -4.563 3.877 64 HA CYS 11 HA CNP 11 -3.011 -7.114 3.687 65 1HB CYS 11 2HB CNP 11 -1.170 -5.630 1.795 66 2HB CYS 11 1HB CNP 11 -2.426 -6.767 1.377 67 H GLY 12 H GLY 12 -1.407 -8.526 1.986 68 1HA GLY 12 2HA GLY 12 0.911 -9.286 3.710 69 2HA GLY 12 1HA GLY 12 0.051 -10.407 2.651 70 H SER 13 H SER 13 -0.047 -8.090 0.622 71 HA SER 13 HA SER 13 2.511 -8.783 -0.687 72 1HB SER 13 2HB SER 13 -0.054 -8.450 -1.547 73 2HB SER 13 1HB SER 13 0.606 -6.854 -1.895 74 HG SER 13 HG SER 13 2.452 -8.330 -2.745 75 H CYS 14 HN CAG 14 0.879 -5.961 0.734 76 HA CYS 14 HA CAG 14 3.030 -4.147 -0.042 77 1HB CYS 14 2HB CAG 14 0.628 -3.745 1.767 78 2HB CYS 14 1HB CAG 14 1.496 -2.566 0.849 79 H LYS 15 H LYS 15 1.452 -5.012 3.019 80 HA LYS 15 HA LYS 15 3.153 -3.992 4.903 81 1HB LYS 15 2HB LYS 15 2.088 -5.487 6.316 82 2HB LYS 15 1HB LYS 15 1.062 -5.662 4.899 83 1HG LYS 15 2HG LYS 15 2.003 -7.734 4.315 84 2HG LYS 15 1HG LYS 15 3.466 -7.453 5.253 85 1HD LYS 15 2HD LYS 15 1.130 -7.334 6.960 86 2HD LYS 15 1HD LYS 15 1.194 -8.869 6.090 87 1HE LYS 15 2HE LYS 15 3.361 -9.389 6.954 88 2HE LYS 15 1HE LYS 15 3.608 -7.730 7.528 89 1HZ LYS 15 2HZ LYS 15 1.174 -8.711 8.552 90 2HZ LYS 15 1HZ LYS 15 2.396 -9.837 8.900 91 3HZ LYS 15 3HZ LYS 15 2.560 -8.227 9.407 92 H ASN 16 H ASN 16 3.931 -6.669 2.729 93 HA ASN 16 HA ASN 16 6.612 -6.879 4.071 94 1HB ASN 16 2HB ASN 16 4.647 -8.787 3.774 95 2HB ASN 16 1HB ASN 16 5.702 -9.122 2.400 96 1HD2 ASN 16 2HD2 ASN 16 6.884 -10.696 5.738 97 2HD2 ASN 16 1HD2 ASN 16 5.302 -10.523 5.149 98 H ASN 17 H ASN 17 5.276 -7.904 0.894 99 HA ASN 17 HA ASN 17 7.626 -7.684 -0.611 100 1HB ASN 17 2HB ASN 17 4.882 -8.080 -1.025 101 2HB ASN 17 1HB ASN 17 5.294 -6.705 -2.049 102 1HD2 ASN 17 2HD2 ASN 17 6.597 -10.409 -3.055 103 2HD2 ASN 17 1HD2 ASN 17 5.633 -10.152 -1.681 104 H GLU 18 H GLU 18 8.976 -5.955 -0.457 105 HA GLU 18 HA GLU 18 8.013 -3.217 -0.204 106 1HB GLU 18 2HB GLU 18 10.630 -4.665 -0.445 107 2HB GLU 18 1HB GLU 18 10.600 -2.912 -0.636 108 1HG GLU 18 2HG GLU 18 9.173 -2.994 1.581 109 2HG GLU 18 1HG GLU 18 9.947 -4.567 1.783 110 H GLN 19 H GLN 19 7.922 -5.235 -2.761 111 HA GLN 19 HA GLN 19 9.125 -3.678 -4.861 112 1HB GLN 19 2HB GLN 19 7.624 -6.104 -4.502 113 2HB GLN 19 1HB GLN 19 6.954 -5.198 -5.859 114 1HG GLN 19 2HG GLN 19 9.682 -4.956 -6.252 115 2HG GLN 19 1HG GLN 19 9.517 -6.604 -5.645 116 1HE2 GLN 19 2HE2 GLN 19 7.188 -7.433 -8.407 117 2HE2 GLN 19 1HE2 GLN 19 7.165 -7.514 -6.711 118 H CYS 20 HN CAG 20 6.151 -3.585 -3.221 119 HA CYS 20 HA CAG 20 5.061 -1.475 -5.027 120 1HB CYS 20 2HB CAG 20 2.912 -2.188 -3.993 121 2HB CYS 20 1HB CAG 20 3.781 -3.544 -4.715 122 H GLN 21 H GLN 21 6.876 -1.657 -2.325 123 HA GLN 21 HA GLN 21 5.422 0.337 -0.681 124 1HB GLN 21 2HB GLN 21 7.973 -1.271 -0.516 125 2HB GLN 21 1HB GLN 21 7.681 0.059 0.606 126 1HG GLN 21 2HG GLN 21 5.289 -1.258 0.725 127 2HG GLN 21 1HG GLN 21 6.400 -2.600 0.465 128 1HE2 GLN 21 2HE2 GLN 21 6.183 -1.790 4.157 129 2HE2 GLN 21 1HE2 GLN 21 5.004 -2.125 2.983 130 H LYS 22 H LYS 22 6.384 0.913 -3.481 131 HA LYS 22 HA LYS 22 8.628 2.753 -3.132 132 1HB LYS 22 2HB LYS 22 7.140 1.439 -5.304 133 2HB LYS 22 1HB LYS 22 7.841 3.010 -5.695 134 1HG LYS 22 2HG LYS 22 10.047 2.267 -5.074 135 2HG LYS 22 1HG LYS 22 9.411 0.764 -4.406 136 1HD LYS 22 2HD LYS 22 9.760 -0.167 -6.428 137 2HD LYS 22 1HD LYS 22 8.434 0.832 -7.026 138 1HE LYS 22 2HE LYS 22 11.281 1.859 -6.852 139 2HE LYS 22 1HE LYS 22 10.622 1.090 -8.311 140 1HZ LYS 22 1HZ LYS 22 9.326 3.353 -6.886 141 2HZ LYS 22 3HZ LYS 22 10.305 3.538 -8.259 142 3HZ LYS 22 2HZ LYS 22 8.847 2.671 -8.367 143 H SER 23 H SER 23 5.427 3.048 -4.499 144 HA SER 23 HA SER 23 5.152 5.723 -3.240 145 1HB SER 23 2HB SER 23 5.731 5.172 -6.101 146 2HB SER 23 1HB SER 23 4.578 6.459 -5.761 147 HG SER 23 HG SER 23 6.318 7.075 -4.131 148 H CYS 24 HN CNP 24 3.430 3.712 -2.584 149 HA CYS 24 HA CNP 24 1.041 3.812 -4.274 150 1HB CYS 24 2HB CNP 24 0.524 1.958 -3.019 151 2HB CYS 24 1HB CNP 24 2.250 1.949 -2.843 152 H SER 25 H SER 25 -0.475 5.396 -4.005 153 HA SER 25 HA SER 25 -0.152 7.445 -1.988 154 1HB SER 25 2HB SER 25 -1.105 8.166 -3.985 155 2HB SER 25 1HB SER 25 -2.119 6.733 -4.139 156 HG SER 25 HG SER 25 -2.859 9.034 -3.242 157 H CYS 26 HN CAG 26 -1.030 4.443 -1.241 158 HA CYS 26 HA CAG 26 -3.529 4.526 0.016 159 1HB CYS 26 2HB CAG 26 -0.834 3.273 0.480 160 2HB CYS 26 1HB CAG 26 -2.152 2.988 1.619 161 HA PRO 27 HA PRO 27 -2.520 7.890 2.837 162 1HB PRO 27 2HB PRO 27 -5.004 7.980 4.000 163 2HB PRO 27 1HB PRO 27 -4.641 8.756 2.444 164 1HG PRO 27 2HG PRO 27 -5.932 6.119 2.985 165 2HG PRO 27 1HG PRO 27 -6.370 7.363 1.801 166 1HD PRO 27 2HD PRO 27 -5.013 5.152 1.092 167 2HD PRO 27 1HD PRO 27 -4.713 6.724 0.315 168 H THR 28 H THR 28 -1.119 6.778 4.133 169 HA THR 28 HA THR 28 -1.028 4.567 5.533 170 HB THR 28 HB THR 28 0.043 5.963 7.434 171 HG1 THR 28 HG1 THR 28 -1.312 7.808 6.899 172 1HG2 THR 28 3HG2 THR 28 0.834 5.274 4.844 173 2HG2 THR 28 2HG2 THR 28 1.303 6.967 5.015 174 3HG2 THR 28 1HG2 THR 28 1.894 5.767 6.165 175 H GLY 29 H GLY 29 -3.191 4.232 5.551 176 1HA GLY 29 2HA GLY 29 -4.299 3.998 8.199 177 2HA GLY 29 1HA GLY 29 -5.285 4.990 7.115 178 H CYS 30 HN CAG 30 -3.966 3.126 4.822 179 HA CYS 30 HA CAG 30 -6.197 1.585 4.249 180 1HB CYS 30 2HB CAG 30 -3.988 2.023 3.031 181 2HB CYS 30 1HB CAG 30 -3.370 0.612 3.880 182 H ASN 31 H ASN 31 -7.191 0.520 5.929 183 HA ASN 31 HA ASN 31 -5.642 -1.620 7.359 184 1HB ASN 31 2HB ASN 31 -8.065 0.070 8.042 185 2HB ASN 31 1HB ASN 31 -7.649 -1.375 8.967 186 1HD2 ASN 31 2HD2 ASN 31 -4.482 0.134 10.084 187 2HD2 ASN 31 1HD2 ASN 31 -5.007 -1.325 9.394 188 H SER 32 H SER 32 -9.015 -0.929 6.436 189 HA SER 32 HA SER 32 -9.386 -3.785 5.641 190 1HB SER 32 2HB SER 32 -11.802 -2.458 5.395 191 2HB SER 32 1HB SER 32 -11.271 -3.304 6.844 192 HG SER 32 HG SER 32 -11.041 -0.553 6.207 193 H ASP 33 H ASP 33 -8.286 -3.714 3.624 194 HA ASP 33 HA ASP 33 -9.719 -2.199 1.510 195 1HB ASP 33 2HB ASP 33 -6.791 -2.127 2.236 196 2HB ASP 33 1HB ASP 33 -7.370 -1.636 0.645 197 H ASP 34 H ASP 34 -10.428 -4.498 1.261 198 HA ASP 34 HA ASP 34 -8.484 -6.364 0.113 199 1HB ASP 34 2HB ASP 34 -10.785 -6.650 1.586 200 2HB ASP 34 1HB ASP 34 -11.383 -6.947 -0.048 201 H LYS 35 H LYS 35 -9.132 -3.825 -1.066 202 HA LYS 35 HA LYS 35 -9.734 -4.714 -3.815 203 1HB LYS 35 2HB LYS 35 -11.731 -3.568 -2.875 204 2HB LYS 35 1HB LYS 35 -10.720 -2.209 -2.382 205 1HG LYS 35 2HG LYS 35 -10.122 -2.518 -5.080 206 2HG LYS 35 1HG LYS 35 -11.859 -2.815 -5.004 207 1HD LYS 35 2HD LYS 35 -10.852 -0.506 -3.423 208 2HD LYS 35 1HD LYS 35 -10.811 -0.331 -5.177 209 1HE LYS 35 2HE LYS 35 -13.305 -1.419 -4.819 210 2HE LYS 35 1HE LYS 35 -13.141 -0.414 -3.365 211 1HZ LYS 35 2HZ LYS 35 -12.581 0.471 -6.150 212 2HZ LYS 35 1HZ LYS 35 -13.957 0.890 -5.246 213 3HZ LYS 35 3HZ LYS 35 -12.425 1.427 -4.754 214 H CYS 36 HN CAG 36 -7.404 -4.440 -2.270 215 HA CYS 36 HA CAG 36 -5.996 -2.109 -3.500 216 1HB CYS 36 2HB CAG 36 -6.180 -2.232 -0.975 217 2HB CYS 36 1HB CAG 36 -5.211 -3.697 -1.081 218 HA PRO 37 HA PRO 37 -3.806 -5.733 -4.956 219 1HB PRO 37 2HB PRO 37 -4.553 -5.451 -7.623 220 2HB PRO 37 1HB PRO 37 -5.447 -6.427 -6.442 221 1HG PRO 37 2HG PRO 37 -6.303 -4.007 -7.699 222 2HG PRO 37 1HG PRO 37 -7.162 -4.982 -6.502 223 1HD PRO 37 2HD PRO 37 -5.563 -2.534 -6.128 224 2HD PRO 37 1HD PRO 37 -6.911 -3.187 -5.173 225 H CYS 38 HN CAG 38 -3.101 -3.159 -4.200 226 HA CYS 38 HA CAG 38 -1.740 -1.606 -6.209 227 1HB CYS 38 2HB CAG 38 -2.317 -0.479 -4.345 228 2HB CYS 38 1HB CAG 38 -2.058 -1.837 -3.276 229 H GLY 39 H GLY 39 0.186 -1.643 -6.902 230 1HA GLY 39 2HA GLY 39 2.169 -3.598 -5.815 231 2HA GLY 39 1HA GLY 39 1.932 -3.417 -7.558 232 H ASN 40 HN ASN 40 1.383 -0.435 -6.272 233 HA ASN 40 HA ASN 40 4.252 0.376 -6.164 234 1HB ASN 40 2HB ASN 40 3.693 2.146 -7.899 235 2HB ASN 40 1HB ASN 40 3.713 0.491 -8.511 236 1HD2 ASN 40 2HD2 ASN 40 0.156 2.513 -8.272 237 2HD2 ASN 40 1HD2 ASN 40 1.523 3.113 -7.464 Start of MODEL 10 1 1H GLN 1 1H GLN 1 -2.102 11.641 -5.912 2 2H GLN 1 3H GLN 1 -2.266 10.580 -7.225 3 3H GLN 1 2H GLN 1 -2.554 10.025 -5.645 4 HA GLN 1 HA GLN 1 -0.413 9.216 -6.242 5 1HB GLN 1 2HB GLN 1 -0.370 10.915 -8.144 6 2HB GLN 1 1HB GLN 1 0.225 12.087 -6.969 7 1HG GLN 1 2HG GLN 1 2.007 10.257 -6.416 8 2HG GLN 1 1HG GLN 1 1.566 9.596 -7.991 9 1HE2 GLN 1 2HE2 GLN 1 4.280 12.358 -8.129 10 2HE2 GLN 1 1HE2 GLN 1 4.072 11.134 -6.972 11 H ASN 2 H ASN 2 -1.645 10.099 -3.808 12 HA ASN 2 HA ASN 2 0.296 11.809 -2.390 13 1HB ASN 2 2HB ASN 2 -2.394 11.309 -2.207 14 2HB ASN 2 1HB ASN 2 -1.766 10.306 -0.898 15 1HD2 ASN 2 2HD2 ASN 2 -0.802 13.068 1.118 16 2HD2 ASN 2 1HD2 ASN 2 -0.701 11.387 0.903 17 H GLU 3 H GLU 3 1.355 9.301 -3.449 18 HA GLU 3 HA GLU 3 1.631 7.521 -1.083 19 1HB GLU 3 2HB GLU 3 2.695 6.052 -2.698 20 2HB GLU 3 1HB GLU 3 1.302 6.768 -3.508 21 1HG GLU 3 2HG GLU 3 3.466 8.556 -3.884 22 2HG GLU 3 1HG GLU 3 4.073 6.939 -4.237 23 H GLY 4 H GLY 4 2.690 10.150 -0.875 24 1HA GLY 4 2HA GLY 4 5.634 9.824 -1.100 25 2HA GLY 4 1HA GLY 4 4.797 11.297 -0.575 26 H HIS 5 H HIS 5 4.589 7.902 0.429 27 HA HIS 5 HA HIS 5 5.227 8.743 3.228 28 1HB HIS 5 2HB HIS 5 3.226 7.506 3.917 29 2HB HIS 5 1HB HIS 5 2.786 8.710 2.713 30 HD1 HIS 5 HD1 HIS 5 4.364 6.010 0.865 31 HD2 HIS 5 HD2 HIS 5 0.578 6.611 2.412 32 HE1 HIS 5 HE1 HIS 5 2.862 4.237 -0.130 33 H GLU 6 H GLU 6 5.144 6.538 4.586 34 HA GLU 6 HA GLU 6 6.988 4.654 3.212 35 1HB GLU 6 2HB GLU 6 5.986 4.941 6.061 36 2HB GLU 6 1HB GLU 6 7.100 3.681 5.529 37 1HG GLU 6 2HG GLU 6 8.861 5.107 5.401 38 2HG GLU 6 1HG GLU 6 7.876 6.415 4.745 39 H CYS 7 HN CNP 7 6.031 2.856 2.303 40 HA CYS 7 HA CNP 7 3.277 2.436 2.118 41 1HB CYS 7 2HB CNP 7 4.753 1.187 0.730 42 2HB CYS 7 1HB CNP 7 5.614 0.508 2.109 43 H GLN 8 H GLN 8 1.854 2.318 3.821 44 HA GLN 8 HA GLN 8 2.722 0.667 6.186 45 1HB GLN 8 2HB GLN 8 1.836 3.445 5.887 46 2HB GLN 8 1HB GLN 8 0.938 2.565 7.125 47 1HG GLN 8 2HG GLN 8 2.849 2.140 8.401 48 2HG GLN 8 1HG GLN 8 3.930 2.335 7.022 49 1HE2 GLN 8 2HE2 GLN 8 4.539 5.492 8.636 50 2HE2 GLN 8 1HE2 GLN 8 5.102 3.893 8.546 51 H CYS 9 HN CAG 9 1.187 -0.362 3.994 52 HA CYS 9 HA CAG 9 -1.650 -0.299 4.660 53 1HB CYS 9 2HB CAG 9 0.214 -1.903 2.929 54 2HB CYS 9 1HB CAG 9 -1.517 -2.254 2.974 55 H GLN 10 H GLN 10 -2.811 -2.138 5.623 56 HA GLN 10 HA GLN 10 -1.201 -3.564 7.653 57 1HB GLN 10 2HB GLN 10 -4.027 -2.837 7.122 58 2HB GLN 10 1HB GLN 10 -3.786 -4.350 7.997 59 1HG GLN 10 2HG GLN 10 -1.984 -2.600 9.198 60 2HG GLN 10 1HG GLN 10 -3.411 -1.603 8.916 61 1HE2 GLN 10 2HE2 GLN 10 -4.786 -2.959 11.869 62 2HE2 GLN 10 1HE2 GLN 10 -4.315 -1.564 11.023 63 H CYS 11 HN CNP 11 -1.500 -4.205 4.550 64 HA CYS 11 HA CNP 11 -2.594 -6.888 4.502 65 1HB CYS 11 2HB CNP 11 -0.824 -5.432 2.531 66 2HB CYS 11 1HB CNP 11 -2.023 -6.654 2.205 67 H GLY 12 H GLY 12 -0.778 -8.155 2.909 68 1HA GLY 12 2HA GLY 12 1.606 -8.529 4.667 69 2HA GLY 12 1HA GLY 12 0.850 -9.841 3.754 70 H SER 13 H SER 13 0.367 -7.901 1.483 71 HA SER 13 HA SER 13 2.820 -8.428 0.012 72 1HB SER 13 2HB SER 13 1.256 -8.245 -1.615 73 2HB SER 13 1HB SER 13 0.086 -7.658 -0.438 74 HG SER 13 HG SER 13 0.805 -5.581 -0.800 75 H CYS 14 HN CAG 14 1.463 -5.703 1.789 76 HA CYS 14 HA CAG 14 3.448 -3.799 0.771 77 1HB CYS 14 2HB CAG 14 1.111 -3.846 2.692 78 2HB CYS 14 1HB CAG 14 2.167 -2.477 2.589 79 H LYS 15 H LYS 15 2.546 -5.451 3.771 80 HA LYS 15 HA LYS 15 4.632 -4.425 5.442 81 1HB LYS 15 2HB LYS 15 2.995 -6.984 5.453 82 2HB LYS 15 1HB LYS 15 3.948 -6.413 6.823 83 1HG LYS 15 2HG LYS 15 2.618 -4.222 6.625 84 2HG LYS 15 1HG LYS 15 1.525 -5.117 5.569 85 1HD LYS 15 2HD LYS 15 0.641 -5.240 7.816 86 2HD LYS 15 1HD LYS 15 1.280 -6.830 7.402 87 1HE LYS 15 2HE LYS 15 3.508 -5.672 8.477 88 2HE LYS 15 1HE LYS 15 2.232 -4.902 9.439 89 1HZ LYS 15 2HZ LYS 15 2.043 -7.775 8.861 90 2HZ LYS 15 1HZ LYS 15 3.104 -7.263 10.085 91 3HZ LYS 15 3HZ LYS 15 1.450 -6.904 10.194 92 H ASN 16 H ASN 16 4.540 -6.997 3.053 93 HA ASN 16 HA ASN 16 7.348 -7.755 3.804 94 1HB ASN 16 2HB ASN 16 5.367 -9.488 2.320 95 2HB ASN 16 1HB ASN 16 6.792 -9.989 3.227 96 1HD2 ASN 16 2HD2 ASN 16 4.891 -8.926 6.351 97 2HD2 ASN 16 1HD2 ASN 16 6.221 -8.237 5.551 98 H ASN 17 H ASN 17 5.275 -8.273 0.925 99 HA ASN 17 HA ASN 17 7.301 -8.159 -1.019 100 1HB ASN 17 2HB ASN 17 4.473 -8.243 -0.852 101 2HB ASN 17 1HB ASN 17 4.867 -6.922 -1.953 102 1HD2 ASN 17 2HD2 ASN 17 4.850 -10.314 -3.722 103 2HD2 ASN 17 1HD2 ASN 17 3.747 -9.631 -2.628 104 H GLU 18 H GLU 18 8.814 -6.505 -0.891 105 HA GLU 18 HA GLU 18 7.996 -3.731 -0.433 106 1HB GLU 18 2HB GLU 18 10.396 -3.328 -0.567 107 2HB GLU 18 1HB GLU 18 10.127 -4.796 0.372 108 1HG GLU 18 2HG GLU 18 10.276 -5.534 -2.383 109 2HG GLU 18 1HG GLU 18 11.656 -4.495 -2.022 110 H GLN 19 H GLN 19 7.513 -5.607 -3.013 111 HA GLN 19 HA GLN 19 8.655 -4.064 -5.171 112 1HB GLN 19 2HB GLN 19 7.236 -6.471 -4.764 113 2HB GLN 19 1HB GLN 19 6.260 -5.508 -5.872 114 1HG GLN 19 2HG GLN 19 8.765 -5.116 -6.899 115 2HG GLN 19 1HG GLN 19 8.894 -6.769 -6.297 116 1HE2 GLN 19 2HE2 GLN 19 6.785 -6.062 -9.655 117 2HE2 GLN 19 1HE2 GLN 19 7.725 -4.866 -8.900 118 H CYS 20 HN CAG 20 5.922 -3.750 -3.198 119 HA CYS 20 HA CAG 20 4.743 -1.646 -4.952 120 1HB CYS 20 2HB CAG 20 2.668 -2.259 -3.752 121 2HB CYS 20 1HB CAG 20 3.433 -3.669 -4.483 122 H GLN 21 H GLN 21 6.760 -1.857 -2.358 123 HA GLN 21 HA GLN 21 5.479 0.178 -0.627 124 1HB GLN 21 2HB GLN 21 7.335 -0.293 0.806 125 2HB GLN 21 1HB GLN 21 6.843 -1.833 0.110 126 1HG GLN 21 2HG GLN 21 8.809 -2.090 -0.979 127 2HG GLN 21 1HG GLN 21 8.846 -0.416 -1.511 128 1HE2 GLN 21 2HE2 GLN 21 10.328 -1.189 2.256 129 2HE2 GLN 21 1HE2 GLN 21 8.981 -2.065 1.705 130 H LYS 22 H LYS 22 6.712 0.476 -3.528 131 HA LYS 22 HA LYS 22 8.822 2.416 -3.233 132 1HB LYS 22 2HB LYS 22 7.181 1.211 -5.388 133 2HB LYS 22 1HB LYS 22 8.056 2.699 -5.757 134 1HG LYS 22 2HG LYS 22 9.826 1.349 -6.165 135 2HG LYS 22 1HG LYS 22 9.951 1.217 -4.410 136 1HD LYS 22 2HD LYS 22 9.207 -0.925 -4.401 137 2HD LYS 22 1HD LYS 22 7.951 -0.587 -5.592 138 1HE LYS 22 2HE LYS 22 9.503 -2.104 -6.650 139 2HE LYS 22 1HE LYS 22 9.834 -0.501 -7.339 140 1HZ LYS 22 1HZ LYS 22 11.232 -1.688 -4.999 141 2HZ LYS 22 3HZ LYS 22 11.873 -1.580 -6.566 142 3HZ LYS 22 2HZ LYS 22 11.550 -0.166 -5.684 143 H SER 23 H SER 23 5.634 2.757 -4.576 144 HA SER 23 HA SER 23 5.333 5.411 -3.274 145 1HB SER 23 2HB SER 23 5.937 4.862 -6.120 146 2HB SER 23 1HB SER 23 4.678 6.061 -5.834 147 HG SER 23 HG SER 23 6.620 7.128 -5.799 148 H CYS 24 HN CNP 24 3.711 3.304 -2.626 149 HA CYS 24 HA CNP 24 1.298 3.247 -4.252 150 1HB CYS 24 2HB CNP 24 0.857 1.483 -2.843 151 2HB CYS 24 1HB CNP 24 2.582 1.569 -2.648 152 H SER 25 H SER 25 -0.311 4.767 -4.081 153 HA SER 25 HA SER 25 -0.034 6.948 -2.155 154 1HB SER 25 2HB SER 25 -2.373 7.450 -3.309 155 2HB SER 25 1HB SER 25 -0.878 7.608 -4.227 156 HG SER 25 HG SER 25 -1.676 6.139 -5.486 157 H CYS 26 HN CAG 26 -0.818 4.021 -1.298 158 HA CYS 26 HA CAG 26 -3.398 3.951 -0.239 159 1HB CYS 26 2HB CAG 26 -0.645 2.983 0.476 160 2HB CYS 26 1HB CAG 26 -1.979 2.706 1.602 161 HA PRO 27 HA PRO 27 -2.799 7.588 2.403 162 1HB PRO 27 2HB PRO 27 -5.430 7.734 3.186 163 2HB PRO 27 1HB PRO 27 -4.844 8.426 1.659 164 1HG PRO 27 2HG PRO 27 -6.204 5.812 2.146 165 2HG PRO 27 1HG PRO 27 -6.463 6.991 0.847 166 1HD PRO 27 2HD PRO 27 -5.019 4.755 0.455 167 2HD PRO 27 1HD PRO 27 -4.601 6.291 -0.343 168 H THR 28 H THR 28 -1.573 6.467 3.863 169 HA THR 28 HA THR 28 -1.701 4.299 5.310 170 HB THR 28 HB THR 28 -0.759 5.645 7.270 171 HG1 THR 28 HG1 THR 28 -1.170 7.690 7.270 172 1HG2 THR 28 3HG2 THR 28 0.231 6.218 4.464 173 2HG2 THR 28 2HG2 THR 28 1.191 6.370 5.935 174 3HG2 THR 28 1HG2 THR 28 0.612 4.786 5.419 175 H GLY 29 H GLY 29 -3.815 3.969 5.083 176 1HA GLY 29 2HA GLY 29 -5.274 3.825 7.563 177 2HA GLY 29 1HA GLY 29 -6.103 4.770 6.316 178 H CYS 30 HN CAG 30 -4.552 2.901 4.241 179 HA CYS 30 HA CAG 30 -6.700 1.227 3.562 180 1HB CYS 30 2HB CAG 30 -4.496 1.848 2.383 181 2HB CYS 30 1HB CAG 30 -3.786 0.493 3.257 182 H ASN 31 H ASN 31 -7.655 -0.295 4.831 183 HA ASN 31 HA ASN 31 -5.897 -2.155 6.395 184 1HB ASN 31 2HB ASN 31 -8.350 -0.591 7.214 185 2HB ASN 31 1HB ASN 31 -7.832 -2.022 8.105 186 1HD2 ASN 31 2HD2 ASN 31 -6.147 1.322 9.194 187 2HD2 ASN 31 1HD2 ASN 31 -7.727 1.102 8.613 188 H SER 32 H SER 32 -8.018 -1.972 3.895 189 HA SER 32 HA SER 32 -9.364 -4.556 4.586 190 1HB SER 32 2HB SER 32 -10.135 -2.530 2.473 191 2HB SER 32 1HB SER 32 -11.131 -3.822 3.133 192 HG SER 32 HG SER 32 -10.596 -2.616 5.229 193 H ASP 33 H ASP 33 -9.494 -6.133 2.853 194 HA ASP 33 HA ASP 33 -7.064 -6.242 1.210 195 1HB ASP 33 2HB ASP 33 -7.905 -8.511 0.739 196 2HB ASP 33 1HB ASP 33 -8.000 -8.168 2.467 197 H ASP 34 H ASP 34 -10.556 -5.814 0.670 198 HA ASP 34 HA ASP 34 -10.132 -5.756 -2.242 199 1HB ASP 34 2HB ASP 34 -12.476 -5.840 -0.368 200 2HB ASP 34 1HB ASP 34 -12.736 -5.293 -2.025 201 H LYS 35 H LYS 35 -9.058 -3.790 -0.455 202 HA LYS 35 HA LYS 35 -10.051 -1.392 -1.868 203 1HB LYS 35 2HB LYS 35 -11.021 -1.534 0.469 204 2HB LYS 35 1HB LYS 35 -9.370 -1.536 1.093 205 1HG LYS 35 2HG LYS 35 -10.187 0.736 1.197 206 2HG LYS 35 1HG LYS 35 -8.998 0.653 -0.102 207 1HD LYS 35 2HD LYS 35 -10.810 1.841 -1.054 208 2HD LYS 35 1HD LYS 35 -11.009 0.197 -1.659 209 1HE LYS 35 2HE LYS 35 -12.674 -0.279 0.084 210 2HE LYS 35 1HE LYS 35 -12.445 1.345 0.764 211 1HZ LYS 35 2HZ LYS 35 -12.806 1.909 -1.822 212 2HZ LYS 35 1HZ LYS 35 -13.801 0.540 -1.675 213 3HZ LYS 35 3HZ LYS 35 -14.068 1.890 -0.684 214 H CYS 36 HN CAG 36 -7.936 -3.298 -2.144 215 HA CYS 36 HA CAG 36 -5.573 -1.480 -1.895 216 1HB CYS 36 2HB CAG 36 -5.878 -3.484 -0.275 217 2HB CYS 36 1HB CAG 36 -5.434 -4.438 -1.676 218 HA PRO 37 HA PRO 37 -5.787 -3.392 -5.998 219 1HB PRO 37 2HB PRO 37 -6.568 -1.173 -7.441 220 2HB PRO 37 1HB PRO 37 -7.712 -2.349 -6.768 221 1HG PRO 37 2HG PRO 37 -7.188 0.383 -5.923 222 2HG PRO 37 1HG PRO 37 -8.524 -0.689 -5.492 223 1HD PRO 37 2HD PRO 37 -6.173 -0.028 -3.959 224 2HD PRO 37 1HD PRO 37 -7.592 -0.985 -3.479 225 H CYS 38 HN CAG 38 -3.802 -2.333 -4.289 226 HA CYS 38 HA CAG 38 -2.154 -0.400 -5.779 227 1HB CYS 38 2HB CAG 38 -2.136 -0.228 -3.489 228 2HB CYS 38 1HB CAG 38 -2.069 -1.958 -3.216 229 H GLY 39 H GLY 39 -0.448 -0.776 -6.846 230 1HA GLY 39 2HA GLY 39 0.600 -3.551 -7.164 231 2HA GLY 39 1HA GLY 39 0.241 -2.581 -8.599 232 H ASN 40 HN ASN 40 1.187 -0.479 -6.201 233 HA ASN 40 HA ASN 40 4.103 -0.766 -6.790 234 1HB ASN 40 2HB ASN 40 4.242 1.333 -7.823 235 2HB ASN 40 1HB ASN 40 2.697 0.737 -8.423 236 1HD2 ASN 40 2HD2 ASN 40 0.829 2.925 -6.139 237 2HD2 ASN 40 1HD2 ASN 40 0.816 1.303 -6.637 No H/Q in entry = 237
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