NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
1059 | 1a1t | cing | 1-original | 17 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 HN MET 1 5.674 -13.066 6.775 2 HA MET 1 HA MET 1 7.145 -13.165 4.254 3 1HB MET 1 2HB MET 1 6.009 -15.317 5.597 4 2HB MET 1 3HB MET 1 4.675 -14.839 4.567 5 1HG MET 1 2HG MET 1 5.681 -16.034 2.910 6 2HG MET 1 3HG MET 1 6.864 -14.743 2.820 7 1HE MET 1 3HE MET 1 8.709 -14.469 4.335 8 2HE MET 1 1HE MET 1 9.720 -15.776 4.997 9 3HE MET 1 2HE MET 1 9.640 -15.516 3.237 10 H GLN 2 HN GLN 2 4.711 -13.792 2.709 11 HA GLN 2 HA GLN 2 2.938 -12.871 1.822 12 1HB GLN 2 2HB GLN 2 2.347 -12.291 4.312 13 2HB GLN 2 3HB GLN 2 2.839 -10.661 3.897 14 1HG GLN 2 2HG GLN 2 0.977 -10.286 2.608 15 2HG GLN 2 3HG GLN 2 1.029 -11.883 1.890 16 1HE2 GLN 2 2HE2 GLN 2 -0.803 -13.506 4.537 17 2HE2 GLN 2 1HE2 GLN 2 0.571 -13.709 3.501 18 H LYS 3 HN LYS 3 3.622 -12.057 -0.120 19 HA LYS 3 HA LYS 3 4.101 -10.457 -1.600 20 1HB LYS 3 2HB LYS 3 3.426 -8.898 0.618 21 2HB LYS 3 3HB LYS 3 5.000 -8.294 0.139 22 1HG LYS 3 2HG LYS 3 4.248 -7.532 -1.920 23 2HG LYS 3 3HG LYS 3 3.070 -8.818 -2.092 24 1HD LYS 3 2HD LYS 3 2.077 -7.443 0.108 25 2HD LYS 3 3HD LYS 3 2.774 -6.141 -0.835 26 1HE LYS 3 2HE LYS 3 1.396 -6.618 -2.739 27 2HE LYS 3 3HE LYS 3 0.983 -8.217 -2.152 28 1HZ LYS 3 1HZ LYS 3 -0.877 -6.990 -1.568 29 2HZ LYS 3 2HZ LYS 3 -0.038 -6.864 -0.179 30 H GLY 4 HN GLY 4 5.814 -12.253 -1.691 31 1HA GLY 4 1HA GLY 4 8.333 -11.976 -0.537 32 2HA GLY 4 2HA GLY 4 7.959 -12.831 -2.020 33 H ASN 5 HN ASN 5 6.785 -10.239 -3.214 34 HA ASN 5 HA ASN 5 8.992 -9.500 -4.637 35 1HB ASN 5 2HB ASN 5 6.298 -8.939 -4.749 36 2HB ASN 5 3HB ASN 5 6.901 -7.390 -4.194 37 1HD2 ASN 5 2HD2 ASN 5 8.055 -6.338 -7.271 38 2HD2 ASN 5 1HD2 ASN 5 7.587 -6.004 -5.637 39 H PHE 6 HN PHE 6 7.953 -8.643 -1.408 40 HA PHE 6 HA PHE 6 8.988 -6.073 -1.175 41 1HB PHE 6 2HB PHE 6 7.524 -7.064 0.519 42 2HB PHE 6 3HB PHE 6 8.553 -8.474 0.679 43 HD1 PHE 6 HD2 PHE 6 10.764 -8.252 1.835 44 HD2 PHE 6 HD1 PHE 6 7.908 -5.113 1.817 45 HE1 PHE 6 HE2 PHE 6 11.930 -7.180 3.782 46 HE2 PHE 6 HE1 PHE 6 9.074 -4.041 3.764 47 HZ PHE 6 HZ PHE 6 11.071 -5.088 4.723 48 H ARG 7 HN ARG 7 10.598 -9.094 -1.668 49 HA ARG 7 HA ARG 7 12.860 -8.699 -0.147 50 1HB ARG 7 2HB ARG 7 13.911 -10.366 -1.645 51 2HB ARG 7 3HB ARG 7 12.266 -10.846 -1.276 52 1HG ARG 7 2HG ARG 7 11.471 -9.961 -3.437 53 2HG ARG 7 3HG ARG 7 13.060 -9.316 -3.798 54 1HD ARG 7 2HD ARG 7 13.904 -11.369 -4.414 55 2HD ARG 7 3HD ARG 7 13.059 -12.219 -3.136 56 HE ARG 7 HE ARG 7 11.408 -12.744 -4.689 57 1HH1 ARG 7 2HH2 ARG 7 12.964 -9.735 -5.728 58 2HH1 ARG 7 1HH2 ARG 7 12.025 -9.605 -7.178 59 HH2 ARG 7 HH1 ARG 7 10.387 -11.284 -7.669 60 H ASN 8 HN ASN 8 11.657 -6.909 -2.810 61 HA ASN 8 HA ASN 8 13.892 -6.342 -4.267 62 1HB ASN 8 2HB ASN 8 12.705 -4.194 -4.845 63 2HB ASN 8 3HB ASN 8 11.640 -5.585 -4.932 64 1HD2 ASN 8 2HD2 ASN 8 10.296 -2.557 -2.958 65 2HD2 ASN 8 1HD2 ASN 8 11.248 -2.653 -4.401 66 H GLN 9 HN GLN 9 13.018 -5.506 -0.981 67 HA GLN 9 HA GLN 9 14.327 -3.086 -0.717 68 1HB GLN 9 2HB GLN 9 13.669 -5.304 1.255 69 2HB GLN 9 3HB GLN 9 14.459 -3.826 1.769 70 1HG GLN 9 2HG GLN 9 12.337 -2.895 0.185 71 2HG GLN 9 3HG GLN 9 11.641 -4.277 1.007 72 1HE2 GLN 9 2HE2 GLN 9 10.914 -1.583 3.287 73 2HE2 GLN 9 1HE2 GLN 9 10.397 -2.287 1.791 74 H ARG 10 HN ARG 10 15.582 -6.195 -1.409 75 HA ARG 10 HA ARG 10 17.960 -6.017 0.058 76 1HB ARG 10 2HB ARG 10 18.680 -7.937 -1.270 77 2HB ARG 10 3HB ARG 10 16.978 -8.144 -0.904 78 1HG ARG 10 2HG ARG 10 16.464 -8.199 -3.111 79 2HG ARG 10 3HG ARG 10 17.190 -6.623 -3.356 80 1HD ARG 10 2HD ARG 10 19.025 -9.009 -3.089 81 2HD ARG 10 3HD ARG 10 18.149 -8.803 -4.594 82 HE ARG 10 HE ARG 10 19.167 -6.306 -4.280 83 1HH1 ARG 10 2HH2 ARG 10 20.726 -9.466 -3.912 84 2HH1 ARG 10 1HH2 ARG 10 22.294 -8.884 -4.361 85 HH2 ARG 10 HH1 ARG 10 22.570 -6.570 -4.921 86 H LYS 11 HN LYS 11 16.797 -4.131 -2.466 87 HA LYS 11 HA LYS 11 19.529 -3.506 -3.338 88 1HB LYS 11 2HB LYS 11 18.443 -4.708 -5.139 89 2HB LYS 11 3HB LYS 11 17.030 -3.676 -5.044 90 1HG LYS 11 2HG LYS 11 18.139 -1.823 -5.981 91 2HG LYS 11 3HG LYS 11 19.721 -2.371 -5.465 92 1HD LYS 11 2HD LYS 11 19.934 -2.992 -7.667 93 2HD LYS 11 3HD LYS 11 19.080 -4.427 -7.137 94 1HE LYS 11 2HE LYS 11 17.863 -3.697 -9.051 95 2HE LYS 11 3HE LYS 11 16.890 -3.161 -7.696 96 1HZ LYS 11 1HZ LYS 11 17.511 -1.489 -9.581 97 2HZ LYS 11 2HZ LYS 11 17.513 -0.964 -8.039 98 H THR 12 HN THR 12 18.200 -2.391 -1.067 99 HA THR 12 HA THR 12 17.272 -0.480 -0.272 100 HB THR 12 HB THR 12 19.858 -0.262 -0.764 101 HG1 THR 12 HG1 THR 12 19.569 1.974 0.031 102 1HG2 THR 12 2HG2 THR 12 18.872 0.762 -3.210 103 2HG2 THR 12 3HG2 THR 12 19.263 2.208 -2.247 104 3HG2 THR 12 1HG2 THR 12 20.517 0.986 -2.568 105 H VAL 13 HN VAL 13 15.525 -1.331 -2.181 106 HA VAL 13 HA VAL 13 14.986 0.081 -4.373 107 HB VAL 13 HB VAL 13 12.554 -0.159 -3.716 108 1HG1 VAL 13 3HG1 VAL 13 14.591 -2.225 -4.118 109 2HG1 VAL 13 1HG1 VAL 13 13.137 -2.837 -3.295 110 3HG1 VAL 13 2HG1 VAL 13 12.991 -2.028 -4.873 111 1HG2 VAL 13 1HG2 VAL 13 13.843 -1.231 -1.191 112 2HG2 VAL 13 2HG2 VAL 13 12.623 0.056 -1.344 113 3HG2 VAL 13 3HG2 VAL 13 12.181 -1.634 -1.686 114 H LYS 14 HN LYS 14 13.691 2.003 -4.890 115 HA LYS 14 HA LYS 14 14.136 4.081 -2.872 116 1HB LYS 14 2HB LYS 14 15.338 4.675 -4.779 117 2HB LYS 14 3HB LYS 14 14.113 4.073 -5.878 118 1HG LYS 14 2HG LYS 14 13.128 6.211 -4.068 119 2HG LYS 14 3HG LYS 14 14.428 6.733 -5.122 120 1HD LYS 14 2HD LYS 14 12.221 5.109 -6.369 121 2HD LYS 14 3HD LYS 14 11.834 6.752 -5.899 122 1HE LYS 14 2HE LYS 14 12.605 7.020 -8.116 123 2HE LYS 14 3HE LYS 14 14.021 7.428 -7.169 124 1HZ LYS 14 1HZ LYS 14 14.665 5.874 -8.864 125 2HZ LYS 14 2HZ LYS 14 14.739 5.061 -7.455 126 H CYS 15 HN CYS 15 12.446 5.353 -2.123 127 HA CYS 15 HA CYS 15 9.860 4.211 -2.450 128 1HB CYS 15 2HB CYS 15 10.631 5.116 -0.287 129 2HB CYS 15 3HB CYS 15 10.726 6.723 -0.979 130 H PHE 16 HN PHE 16 8.636 4.620 -4.259 131 HA PHE 16 HA PHE 16 9.228 6.854 -5.922 132 1HB PHE 16 2HB PHE 16 7.246 4.545 -5.762 133 2HB PHE 16 3HB PHE 16 6.908 5.837 -6.896 134 HD1 PHE 16 HD1 PHE 16 9.564 6.506 -7.930 135 HD2 PHE 16 HD2 PHE 16 7.882 2.715 -7.030 136 HE1 PHE 16 HE1 PHE 16 11.089 5.430 -9.608 137 HE2 PHE 16 HE2 PHE 16 9.407 1.639 -8.709 138 HZ PHE 16 HZ PHE 16 10.993 3.010 -9.978 139 H ASN 17 HN ASN 17 7.794 6.826 -2.974 140 HA ASN 17 HA ASN 17 5.561 8.492 -3.735 141 1HB ASN 17 2HB ASN 17 5.592 6.600 -1.871 142 2HB ASN 17 3HB ASN 17 6.363 7.819 -0.878 143 1HD2 ASN 17 2HD2 ASN 17 3.106 8.618 0.148 144 2HD2 ASN 17 1HD2 ASN 17 4.597 7.818 0.520 145 H CYS 18 HN CYS 18 8.215 8.511 -1.222 146 HA CYS 18 HA CYS 18 8.117 11.388 -1.155 147 1HB CYS 18 2HB CYS 18 9.796 11.152 0.661 148 2HB CYS 18 3HB CYS 18 8.317 10.263 0.965 149 H GLY 19 HN GLY 19 10.270 8.680 -2.177 150 1HA GLY 19 1HA GLY 19 11.597 8.900 -4.129 151 2HA GLY 19 2HA GLY 19 11.795 10.611 -3.800 152 H LYS 20 HN LYS 20 11.981 8.170 -1.204 153 HA LYS 20 HA LYS 20 14.789 8.906 -0.868 154 1HB LYS 20 2HB LYS 20 12.714 8.872 0.925 155 2HB LYS 20 3HB LYS 20 13.453 7.312 1.226 156 1HG LYS 20 2HG LYS 20 15.406 8.233 2.045 157 2HG LYS 20 3HG LYS 20 15.380 9.571 0.915 158 1HD LYS 20 2HD LYS 20 13.136 10.081 2.499 159 2HD LYS 20 3HD LYS 20 14.264 9.399 3.654 160 1HE LYS 20 2HE LYS 20 15.061 11.626 1.729 161 2HE LYS 20 3HE LYS 20 14.370 11.958 3.305 162 1HZ LYS 20 1HZ LYS 20 16.686 11.929 3.647 163 2HZ LYS 20 2HZ LYS 20 16.235 10.461 4.185 164 H GLU 21 HN GLU 21 15.823 6.764 0.494 165 HA GLU 21 HA GLU 21 15.318 4.506 -1.269 166 1HB GLU 21 2HB GLU 21 17.772 6.106 -1.074 167 2HB GLU 21 3HB GLU 21 18.080 4.417 -0.726 168 1HG GLU 21 2HG GLU 21 17.415 3.704 -2.862 169 2HG GLU 21 3HG GLU 21 16.342 5.067 -3.104 170 HE1 GLU 21 HE2 GLU 21 20.258 5.537 -3.883 171 H GLY 22 HN GLY 22 14.892 2.687 -0.095 172 1HA GLY 22 1HA GLY 22 16.090 1.314 1.701 173 2HA GLY 22 2HA GLY 22 15.719 2.680 2.735 174 H HIS 23 HN HIS 23 13.184 2.871 0.703 175 HA HIS 23 HA HIS 23 11.664 0.615 1.558 176 1HB HIS 23 2HB HIS 23 10.144 1.645 3.015 177 2HB HIS 23 3HB HIS 23 11.725 2.141 3.582 178 HD1 HIS 23 HD1 HIS 23 12.349 4.657 3.403 179 HD2 HIS 23 HD2 HIS 23 8.555 3.719 1.875 180 HE1 HIS 23 HE1 HIS 23 11.152 6.881 3.046 181 H ILE 24 HN ILE 24 9.471 0.631 0.566 182 HA ILE 24 HA ILE 24 9.496 2.343 -1.816 183 HB ILE 24 HB ILE 24 8.271 0.636 -2.933 184 1HG1 ILE 24 2HG1 ILE 24 8.239 -0.959 -0.356 185 2HG1 ILE 24 3HG1 ILE 24 6.879 -0.031 -0.957 186 1HG2 ILE 24 2HG2 ILE 24 10.877 0.410 -2.201 187 2HG2 ILE 24 3HG2 ILE 24 10.227 -1.143 -1.623 188 3HG2 ILE 24 1HG2 ILE 24 10.045 -0.684 -3.333 189 1HD1 ILE 24 2HD1 ILE 24 8.268 -2.195 -2.599 190 2HD1 ILE 24 3HD1 ILE 24 6.840 -2.496 -1.578 191 3HD1 ILE 24 1HD1 ILE 24 6.725 -1.386 -2.965 192 H ALA 25 HN ALA 25 7.284 2.992 -2.635 193 HA ALA 25 HA ALA 25 5.962 4.493 -0.775 194 1HB ALA 25 2HB ALA 25 5.012 3.274 -3.395 195 2HB ALA 25 3HB ALA 25 4.121 4.529 -2.503 196 3HB ALA 25 1HB ALA 25 5.741 4.878 -3.150 197 H LYS 26 HN LYS 26 5.495 1.063 -1.687 198 HA LYS 26 HA LYS 26 3.026 0.696 -0.451 199 1HB LYS 26 2HB LYS 26 5.257 -1.322 -0.831 200 2HB LYS 26 3HB LYS 26 3.563 -1.681 -0.557 201 1HG LYS 26 2HG LYS 26 4.190 0.160 -2.847 202 2HG LYS 26 3HG LYS 26 4.657 -1.518 -3.043 203 1HD LYS 26 2HD LYS 26 1.956 -1.302 -1.911 204 2HD LYS 26 3HD LYS 26 2.076 -0.423 -3.421 205 1HE LYS 26 2HE LYS 26 3.152 -2.510 -4.449 206 2HE LYS 26 3HE LYS 26 2.773 -3.360 -2.964 207 1HZ LYS 26 1HZ LYS 26 0.907 -3.761 -4.264 208 2HZ LYS 26 2HZ LYS 26 0.385 -2.462 -3.431 209 H ASN 27 HN ASN 27 6.404 0.473 0.799 210 HA ASN 27 HA ASN 27 5.310 -0.054 3.419 211 1HB ASN 27 2HB ASN 27 8.145 -0.025 2.278 212 2HB ASN 27 3HB ASN 27 7.850 -0.178 3.998 213 1HD2 ASN 27 2HD2 ASN 27 6.687 -3.183 1.379 214 2HD2 ASN 27 1HD2 ASN 27 6.810 -1.531 0.876 215 H CYS 28 HN CYS 28 5.420 2.608 1.658 216 HA CYS 28 HA CYS 28 7.051 4.300 3.314 217 1HB CYS 28 2HB CYS 28 6.930 4.697 0.890 218 2HB CYS 28 3HB CYS 28 5.203 4.972 1.000 219 H ARG 29 HN ARG 29 6.271 5.658 4.956 220 HA ARG 29 HA ARG 29 3.723 5.006 5.959 221 1HB ARG 29 2HB ARG 29 6.107 6.123 6.976 222 2HB ARG 29 3HB ARG 29 4.954 7.438 7.096 223 1HG ARG 29 2HG ARG 29 4.142 4.673 8.030 224 2HG ARG 29 3HG ARG 29 5.165 5.656 9.059 225 1HD ARG 29 2HD ARG 29 3.328 7.541 8.528 226 2HD ARG 29 3HD ARG 29 2.314 6.153 8.186 227 HE ARG 29 HE ARG 29 3.776 5.947 10.726 228 1HH1 ARG 29 2HH2 ARG 29 0.804 7.082 9.167 229 2HH1 ARG 29 1HH2 ARG 29 -0.117 7.074 10.634 230 HH2 ARG 29 HH1 ARG 29 0.937 6.397 12.677 231 H ALA 30 HN ALA 30 5.145 7.636 4.022 232 HA ALA 30 HA ALA 30 3.185 9.576 4.417 233 1HB ALA 30 2HB ALA 30 4.986 8.955 2.042 234 2HB ALA 30 3HB ALA 30 4.046 10.455 2.231 235 3HB ALA 30 1HB ALA 30 5.336 10.062 3.391 236 HA PRO 31 HA PRO 31 -0.173 8.059 2.156 237 1HB PRO 31 2HB PRO 31 -1.442 10.361 1.410 238 2HB PRO 31 3HB PRO 31 -1.581 9.666 3.013 239 1HG PRO 31 2HG PRO 31 -0.029 12.028 2.146 240 2HG PRO 31 3HG PRO 31 -0.522 11.573 3.764 241 1HD PRO 31 2HD PRO 31 2.095 11.292 2.625 242 2HD PRO 31 3HD PRO 31 1.573 10.731 4.200 243 H ARG 32 HN ARG 32 -1.106 7.572 0.117 244 HA ARG 32 HA ARG 32 0.763 7.507 -1.856 245 1HB ARG 32 2HB ARG 32 -2.135 6.983 -1.599 246 2HB ARG 32 3HB ARG 32 -1.703 7.494 -3.218 247 1HG ARG 32 2HG ARG 32 -1.480 5.095 -3.183 248 2HG ARG 32 3HG ARG 32 0.149 5.740 -3.200 249 1HD ARG 32 2HD ARG 32 0.121 5.551 -0.625 250 2HD ARG 32 3HD ARG 32 -1.370 4.644 -0.791 251 HE ARG 32 HE ARG 32 0.920 3.687 -2.409 252 1HH1 ARG 32 2HH2 ARG 32 -1.029 3.291 0.522 253 2HH1 ARG 32 1HH2 ARG 32 -0.495 1.669 0.809 254 HH2 ARG 32 HH1 ARG 32 1.066 0.663 -0.706 255 H LYS 33 HN LYS 33 1.739 9.294 -2.782 256 HA LYS 33 HA LYS 33 -0.053 11.349 -3.842 257 1HB LYS 33 2HB LYS 33 2.026 11.683 -1.773 258 2HB LYS 33 3HB LYS 33 2.144 12.816 -3.104 259 1HG LYS 33 2HG LYS 33 -0.440 13.147 -2.782 260 2HG LYS 33 3HG LYS 33 -0.207 12.366 -1.230 261 1HD LYS 33 2HD LYS 33 1.638 14.091 -0.757 262 2HD LYS 33 3HD LYS 33 1.126 14.931 -2.208 263 1HE LYS 33 2HE LYS 33 -1.259 14.402 -0.719 264 2HE LYS 33 3HE LYS 33 -0.077 14.972 0.444 265 1HZ LYS 33 1HZ LYS 33 -0.992 16.377 -1.997 266 2HZ LYS 33 2HZ LYS 33 -1.091 16.898 -0.457 267 H LYS 34 HN LYS 34 1.659 12.937 -5.196 268 HA LYS 34 HA LYS 34 3.514 11.222 -6.629 269 1HB LYS 34 2HB LYS 34 0.922 12.190 -7.715 270 2HB LYS 34 3HB LYS 34 2.314 12.374 -8.764 271 1HG LYS 34 2HG LYS 34 2.591 9.778 -7.659 272 2HG LYS 34 3HG LYS 34 0.879 9.931 -8.003 273 1HD LYS 34 2HD LYS 34 1.504 10.749 -10.343 274 2HD LYS 34 3HD LYS 34 3.173 10.365 -9.971 275 1HE LYS 34 2HE LYS 34 2.815 8.068 -10.042 276 2HE LYS 34 3HE LYS 34 1.173 8.191 -9.442 277 1HZ LYS 34 1HZ LYS 34 1.069 7.611 -11.748 278 2HZ LYS 34 2HZ LYS 34 0.588 9.165 -11.669 279 H GLY 35 HN GLY 35 4.353 13.058 -4.860 280 1HA GLY 35 1HA GLY 35 4.678 15.629 -6.198 281 2HA GLY 35 2HA GLY 35 5.169 15.199 -4.571 282 H CYS 36 HN CYS 36 6.332 15.958 -7.611 283 HA CYS 36 HA CYS 36 8.314 14.120 -8.107 284 1HB CYS 36 2HB CYS 36 7.836 15.735 -9.775 285 2HB CYS 36 3HB CYS 36 8.105 17.081 -8.685 286 H TRP 37 HN TRP 37 10.067 13.509 -6.886 287 HA TRP 37 HA TRP 37 10.745 15.085 -4.569 288 1HB TRP 37 2HB TRP 37 12.487 12.837 -5.097 289 2HB TRP 37 3HB TRP 37 11.454 13.167 -3.720 290 HD1 TRP 37 HD1 TRP 37 8.728 12.397 -4.134 291 HE1 TRP 37 HE1 TRP 37 7.705 10.285 -5.341 292 HE3 TRP 37 HE3 TRP 37 12.873 11.297 -6.866 293 HZ2 TRP 37 HZ2 TRP 37 8.721 8.432 -7.259 294 HZ3 TRP 37 HZ3 TRP 37 12.774 9.320 -8.381 295 HH2 TRP 37 HH2 TRP 37 10.790 7.908 -8.602 296 H LYS 38 HN LYS 38 11.130 16.478 -7.042 297 HA LYS 38 HA LYS 38 14.046 16.710 -6.980 298 1HB LYS 38 2HB LYS 38 12.709 15.531 -9.094 299 2HB LYS 38 3HB LYS 38 12.861 17.194 -9.624 300 1HG LYS 38 2HG LYS 38 15.215 15.627 -8.483 301 2HG LYS 38 3HG LYS 38 14.826 15.622 -10.192 302 1HD LYS 38 2HD LYS 38 15.338 17.914 -10.462 303 2HD LYS 38 3HD LYS 38 15.089 18.277 -8.765 304 1HE LYS 38 2HE LYS 38 17.319 16.386 -9.566 305 2HE LYS 38 3HE LYS 38 17.554 18.114 -9.743 306 1HZ LYS 38 1HZ LYS 38 18.177 17.918 -7.574 307 2HZ LYS 38 2HZ LYS 38 16.583 18.008 -7.257 308 H CYS 39 HN CYS 39 10.882 18.148 -8.006 309 HA CYS 39 HA CYS 39 12.075 20.762 -7.453 310 1HB CYS 39 2HB CYS 39 10.168 21.660 -8.831 311 2HB CYS 39 3HB CYS 39 11.341 20.705 -9.715 312 H GLY 40 HN GLY 40 9.487 18.413 -6.753 313 1HA GLY 40 1HA GLY 40 8.440 18.280 -4.676 314 2HA GLY 40 2HA GLY 40 8.761 19.977 -4.384 315 H LYS 41 HN LYS 41 7.588 19.027 -7.577 316 HA LYS 41 HA LYS 41 5.102 20.427 -6.986 317 1HB LYS 41 2HB LYS 41 6.885 20.540 -9.117 318 2HB LYS 41 3HB LYS 41 5.555 19.595 -9.755 319 1HG LYS 41 2HG LYS 41 3.990 21.331 -9.463 320 2HG LYS 41 3HG LYS 41 4.908 22.088 -8.176 321 1HD LYS 41 2HD LYS 41 6.646 22.796 -9.828 322 2HD LYS 41 3HD LYS 41 5.739 22.029 -11.117 323 1HE LYS 41 2HE LYS 41 3.876 23.570 -10.844 324 2HE LYS 41 3HE LYS 41 4.532 24.200 -9.345 325 1HZ LYS 41 1HZ LYS 41 6.290 25.254 -10.523 326 2HZ LYS 41 2HZ LYS 41 6.014 24.432 -11.902 327 H GLU 42 HN GLU 42 3.170 19.404 -6.775 328 HA GLU 42 HA GLU 42 3.244 16.540 -6.983 329 1HB GLU 42 2HB GLU 42 1.059 16.627 -5.843 330 2HB GLU 42 3HB GLU 42 2.240 17.602 -4.989 331 1HG GLU 42 2HG GLU 42 0.814 19.357 -5.142 332 2HG GLU 42 3HG GLU 42 1.095 19.377 -6.871 333 HE2 GLU 42 HE2 GLU 42 -1.335 18.644 -8.031 334 H GLY 43 HN GLY 43 2.769 15.557 -8.897 335 1HA GLY 43 1HA GLY 43 0.524 15.486 -10.274 336 2HA GLY 43 2HA GLY 43 1.169 17.004 -10.869 337 H HIS 44 HN HIS 44 3.869 16.650 -11.130 338 HA HIS 44 HA HIS 44 3.956 14.556 -13.150 339 1HB HIS 44 2HB HIS 44 5.734 15.759 -14.148 340 2HB HIS 44 3HB HIS 44 4.499 16.930 -13.732 341 HD1 HIS 44 HD1 HIS 44 5.106 18.777 -12.055 342 HD2 HIS 44 HD2 HIS 44 8.105 15.881 -12.508 343 HE1 HIS 44 HE1 HIS 44 7.170 19.694 -10.868 344 H GLN 45 HN GLN 45 6.501 13.782 -13.363 345 HA GLN 45 HA GLN 45 7.291 13.030 -10.663 346 1HB GLN 45 2HB GLN 45 7.737 10.745 -11.390 347 2HB GLN 45 3HB GLN 45 6.072 11.145 -11.760 348 1HG GLN 45 2HG GLN 45 7.505 11.963 -14.055 349 2HG GLN 45 3HG GLN 45 8.268 10.456 -13.588 350 1HE2 GLN 45 2HE2 GLN 45 5.696 8.364 -14.596 351 2HE2 GLN 45 1HE2 GLN 45 7.285 8.573 -13.938 352 H MET 46 HN MET 46 9.642 12.158 -10.637 353 HA MET 46 HA MET 46 11.312 14.081 -11.570 354 1HB MET 46 2HB MET 46 11.620 11.206 -10.666 355 2HB MET 46 3HB MET 46 13.030 11.983 -11.356 356 1HG MET 46 2HG MET 46 11.770 13.811 -9.477 357 2HG MET 46 3HG MET 46 12.003 12.261 -8.694 358 1HE MET 46 2HE MET 46 13.896 10.950 -8.696 359 2HE MET 46 3HE MET 46 15.594 11.451 -8.887 360 3HE MET 46 1HE MET 46 14.680 11.938 -7.439 361 H LYS 47 HN LYS 47 10.499 10.896 -13.083 362 HA LYS 47 HA LYS 47 12.307 11.003 -15.167 363 1HB LYS 47 2HB LYS 47 10.629 9.154 -14.327 364 2HB LYS 47 3HB LYS 47 9.563 9.838 -15.538 365 1HG LYS 47 2HG LYS 47 11.361 9.545 -17.268 366 2HG LYS 47 3HG LYS 47 12.404 8.834 -16.052 367 1HD LYS 47 2HD LYS 47 11.433 6.949 -17.115 368 2HD LYS 47 3HD LYS 47 10.490 7.118 -15.648 369 1HE LYS 47 2HE LYS 47 8.762 6.920 -17.197 370 2HE LYS 47 3HE LYS 47 8.940 8.664 -17.183 371 1HZ LYS 47 1HZ LYS 47 10.688 7.316 -19.058 372 2HZ LYS 47 2HZ LYS 47 9.105 7.160 -19.409 373 H ASP 48 HN ASP 48 9.207 12.684 -14.667 374 HA ASP 48 HA ASP 48 9.607 13.896 -17.289 375 1HB ASP 48 2HB ASP 48 7.332 12.631 -16.228 376 2HB ASP 48 3HB ASP 48 6.983 14.334 -16.005 377 HD2 ASP 48 HD2 ASP 48 5.713 13.393 -19.257 378 H CYS 49 HN CYS 49 10.985 14.679 -14.806 379 HA CYS 49 HA CYS 49 9.709 16.677 -13.400 380 1HB CYS 49 2HB CYS 49 11.863 15.587 -12.764 381 2HB CYS 49 3HB CYS 49 12.674 16.490 -14.028 382 H THR 50 HN THR 50 8.747 18.476 -14.286 383 HA THR 50 HA THR 50 9.681 19.500 -16.817 384 HB THR 50 HB THR 50 7.254 19.290 -16.240 385 HG1 THR 50 HG1 THR 50 8.278 21.089 -17.576 386 1HG2 THR 50 2HG2 THR 50 8.027 20.381 -13.743 387 2HG2 THR 50 3HG2 THR 50 7.184 21.710 -14.572 388 3HG2 THR 50 1HG2 THR 50 6.359 20.154 -14.318 389 H GLU 51 HN GLU 51 11.022 19.695 -13.854 390 HA GLU 51 HA GLU 51 11.485 22.550 -13.996 391 1HB GLU 51 2HB GLU 51 11.313 20.622 -11.866 392 2HB GLU 51 3HB GLU 51 12.930 21.299 -11.837 393 1HG GLU 51 2HG GLU 51 10.448 23.055 -12.044 394 2HG GLU 51 3HG GLU 51 11.107 22.558 -10.499 395 HE2 GLU 51 HE2 GLU 51 12.933 24.999 -10.195 396 H ARG 52 HN ARG 52 13.567 19.652 -13.268 397 HA ARG 52 HA ARG 52 15.414 20.666 -15.252 398 1HB ARG 52 2HB ARG 52 16.053 20.021 -12.340 399 2HB ARG 52 3HB ARG 52 17.302 20.009 -13.569 400 1HG ARG 52 2HG ARG 52 16.367 22.410 -14.182 401 2HG ARG 52 3HG ARG 52 15.648 22.352 -12.585 402 1HD ARG 52 2HD ARG 52 18.379 21.459 -12.333 403 2HD ARG 52 3HD ARG 52 18.393 22.925 -13.293 404 HE ARG 52 HE ARG 52 17.603 22.684 -10.471 405 1HH1 ARG 52 2HH2 ARG 52 17.454 24.701 -13.380 406 2HH1 ARG 52 1HH2 ARG 52 17.142 26.161 -12.503 407 HH2 ARG 52 HH1 ARG 52 16.991 26.085 -10.113 408 H GLN 53 HN GLN 53 17.292 18.890 -15.534 409 HA GLN 53 HA GLN 53 16.090 16.602 -16.410 410 1HB GLN 53 2HB GLN 53 18.865 17.558 -15.985 411 2HB GLN 53 3HB GLN 53 18.711 15.813 -15.970 412 1HG GLN 53 2HG GLN 53 17.256 16.159 -18.146 413 2HG GLN 53 3HG GLN 53 18.001 17.745 -18.199 414 1HE2 GLN 53 2HE2 GLN 53 20.532 16.322 -20.122 415 2HE2 GLN 53 1HE2 GLN 53 19.173 17.392 -20.022 416 H ALA 54 HN ALA 54 16.873 14.269 -15.640 417 HA ALA 54 HA ALA 54 16.292 14.169 -12.768 418 1HB ALA 54 1HB ALA 54 15.736 12.373 -15.126 419 2HB ALA 54 2HB ALA 54 15.818 11.680 -13.489 420 3HB ALA 54 3HB ALA 54 14.628 12.952 -13.858 421 H ASN 55 HN ASN 55 18.594 14.763 -12.345 422 HA ASN 55 HA ASN 55 20.709 14.328 -12.018 423 1HB ASN 55 2HB ASN 55 21.177 12.224 -10.828 424 2HB ASN 55 3HB ASN 55 19.591 12.799 -10.348 425 1HD2 ASN 55 2HD2 ASN 55 18.023 9.838 -11.151 426 2HD2 ASN 55 1HD2 ASN 55 18.183 11.249 -10.159 427 1H5* G 201 1H5* G 201 -1.077 -16.716 -6.715 428 2H5* G 201 2H5* G 201 0.656 -16.391 -6.680 429 H4* G 201 H4* G 201 -0.803 -17.848 -4.828 430 H3* G 201 H3* G 201 2.165 -17.605 -5.339 431 1H2* G 201 1H2* G 201 2.549 -19.121 -3.590 432 2HO* G 201 2HO* G 201 -0.246 -18.726 -3.015 433 H1* G 201 H1* G 201 0.509 -20.888 -4.196 434 H8 G 201 H8 G 201 2.543 -19.024 -6.866 435 H1 G 201 H1 G 201 4.186 -25.211 -5.912 436 1H2 G 201 1H2 G 201 3.048 -25.998 -4.384 437 2H2 G 201 2H2 G 201 1.831 -25.113 -3.492 438 1H5* G 202 1H5* G 202 1.827 -17.053 -1.843 439 2H5* G 202 2H5* G 202 2.599 -15.872 -0.786 440 H4* G 202 H4* G 202 3.567 -17.896 -0.177 441 H3* G 202 H3* G 202 5.484 -16.711 -2.222 442 1H2* G 202 1H2* G 202 7.060 -18.184 -1.268 443 2HO* G 202 2HO* G 202 6.089 -19.237 0.833 444 H1* G 202 H1* G 202 5.355 -20.344 -1.019 445 H8 G 202 H8 G 202 5.140 -17.855 -3.932 446 H1 G 202 H1 G 202 8.065 -23.471 -5.267 447 1H2 G 202 1H2 G 202 8.168 -24.619 -3.556 448 2H2 G 202 2H2 G 202 7.554 -24.130 -1.992 449 1H5* A 203 1H5* A 203 7.679 -16.742 1.445 450 2H5* A 203 2H5* A 203 8.463 -15.166 1.544 451 H4* A 203 H4* A 203 10.104 -16.889 1.854 452 H3* A 203 H3* A 203 10.296 -15.235 -0.615 453 1H2* A 203 1H2* A 203 12.003 -16.524 -1.540 454 2HO* A 203 2HO* A 203 13.057 -16.447 0.576 455 H1* A 203 H1* A 203 11.021 -19.023 -0.623 456 H8 A 203 H8 A 203 8.771 -16.417 -2.276 457 1H6 A 203 1H6 A 203 9.458 -19.806 -7.470 458 2H6 A 203 2H6 A 203 8.638 -18.424 -6.777 459 H2 A 203 H2 A 203 12.035 -21.568 -4.310 460 1H5* C 204 1H5* C 204 14.473 -15.037 0.682 461 2H5* C 204 2H5* C 204 15.152 -13.718 -0.268 462 H4* C 204 H4* C 204 15.331 -16.425 -0.821 463 H3* C 204 H3* C 204 15.917 -13.947 -2.420 464 1H2* C 204 1H2* C 204 15.632 -15.161 -4.324 465 2HO* C 204 2HO* C 204 17.826 -15.684 -3.837 466 H1* C 204 H1* C 204 15.174 -17.822 -3.234 467 1H4 C 204 1H4 C 204 10.107 -16.919 -6.984 468 2H4 C 204 2H4 C 204 9.560 -15.612 -5.958 469 H5 C 204 H5 C 204 10.770 -14.805 -4.098 470 H6 C 204 H6 C 204 12.824 -15.056 -2.750 471 1H5* U 205 1H5* U 205 20.340 -14.049 -3.144 472 2H5* U 205 2H5* U 205 20.016 -12.473 -3.867 473 H4* U 205 H4* U 205 20.098 -14.894 -5.183 474 H3* U 205 H3* U 205 18.631 -12.397 -6.121 475 1H2* U 205 1H2* U 205 18.650 -13.472 -8.181 476 2HO* U 205 2HO* U 205 20.780 -15.089 -7.126 477 H1* U 205 H1* U 205 18.601 -16.117 -7.224 478 H3 U 205 H3 U 205 14.472 -16.067 -8.976 479 H5 U 205 H5 U 205 14.232 -13.162 -5.969 480 H6 U 205 H6 U 205 16.630 -13.502 -5.586 481 1H5* A 206 1H5* A 206 20.872 -12.300 -8.524 482 2H5* A 206 2H5* A 206 21.730 -10.891 -9.150 483 H4* A 206 H4* A 206 20.156 -11.619 -10.795 484 H3* A 206 H3* A 206 19.061 -9.128 -9.434 485 1H2* A 206 1H2* A 206 17.627 -9.031 -11.231 486 2HO* A 206 2HO* A 206 18.672 -10.204 -13.247 487 H1* A 206 H1* A 206 17.738 -11.778 -11.993 488 H8 A 206 H8 A 206 17.028 -10.665 -8.413 489 1H6 A 206 1H6 A 206 11.016 -11.598 -9.808 490 2H6 A 206 2H6 A 206 12.125 -11.184 -8.520 491 H2 A 206 H2 A 206 13.414 -12.221 -13.498 492 1H5* G 207 1H5* G 207 20.394 -7.961 -12.930 493 2H5* G 207 2H5* G 207 20.525 -6.242 -13.303 494 H4* G 207 H4* G 207 18.551 -7.061 -14.342 495 H3* G 207 H3* G 207 17.649 -5.613 -11.821 496 1H2* G 207 1H2* G 207 15.663 -5.299 -13.057 497 2HO* G 207 2HO* G 207 16.647 -6.331 -15.447 498 H1* G 207 H1* G 207 15.762 -7.858 -14.246 499 H8 G 207 H8 G 207 16.546 -7.296 -10.547 500 H1 G 207 H1 G 207 10.513 -9.261 -11.826 501 1H2 G 207 1H2 G 207 10.235 -9.348 -13.867 502 2H2 G 207 2H2 G 207 11.454 -8.947 -15.055 503 1H5* C 208 1H5* C 208 18.087 -2.087 -14.540 504 2H5* C 208 2H5* C 208 17.624 -0.623 -13.672 505 H4* C 208 H4* C 208 15.972 -2.088 -15.258 506 H3* C 208 H3* C 208 15.321 -0.244 -12.951 507 1H2* C 208 1H2* C 208 13.180 -1.007 -13.040 508 2HO* C 208 2HO* C 208 12.205 -0.548 -15.005 509 H1* C 208 H1* C 208 13.374 -3.148 -14.929 510 1H4 C 208 1H4 C 208 11.958 -6.164 -9.504 511 2H4 C 208 2H4 C 208 13.514 -5.725 -8.832 512 H5 C 208 H5 C 208 15.085 -4.353 -9.940 513 H6 C 208 H6 C 208 15.555 -3.050 -11.985 514 1H5* G 209 1H5* G 209 13.654 3.216 -12.373 515 2H5* G 209 2H5* G 209 14.314 1.581 -12.321 516 H4* G 209 H4* G 209 12.353 1.347 -14.232 517 H3* G 209 H3* G 209 11.552 3.568 -12.421 518 1H2* G 209 1H2* G 209 9.920 2.287 -11.475 519 2HO* G 209 2HO* G 209 8.814 3.171 -13.296 520 H1* G 209 H1* G 209 9.899 -0.125 -12.996 521 H8 G 209 H8 G 209 12.947 0.999 -10.996 522 H1 G 209 H1 G 209 9.096 -3.245 -7.986 523 1H2 G 209 1H2 G 209 7.417 -3.586 -9.134 524 2H2 G 209 2H2 G 209 7.099 -2.834 -10.681 525 1H5* G 210 1H5* G 210 10.323 6.526 -12.234 526 2H5* G 210 2H5* G 210 10.444 4.935 -11.483 527 H4* G 210 H4* G 210 8.423 5.091 -10.501 528 H3* G 210 H3* G 210 7.477 6.074 -13.109 529 1H2* G 210 1H2* G 210 6.720 8.025 -12.137 530 2HO* G 210 2HO* G 210 4.981 6.458 -10.572 531 H1* G 210 H1* G 210 6.444 7.300 -9.347 532 H8 G 210 H8 G 210 9.524 8.180 -11.472 533 H1 G 210 H1 G 210 7.823 12.580 -7.041 534 1H2 G 210 1H2 G 210 6.128 11.943 -6.054 535 2H2 G 210 2H2 G 210 5.291 10.441 -6.378 536 1H5* A 211 1H5* A 211 7.757 3.001 -11.041 537 2H5* A 211 2H5* A 211 7.707 1.254 -11.280 538 H4* A 211 H4* A 211 6.590 1.365 -9.315 539 H3* A 211 H3* A 211 4.553 1.598 -11.478 540 1H2* A 211 1H2* A 211 3.544 3.092 -9.937 541 2HO* A 211 2HO* A 211 1.998 1.562 -9.960 542 H1* A 211 H1* A 211 4.579 1.302 -7.683 543 H8 A 211 H8 A 211 4.810 5.041 -8.502 544 1H6 A 211 1H6 A 211 2.074 5.915 -2.961 545 2H6 A 211 2H6 A 211 2.772 6.731 -4.342 546 H2 A 211 H2 A 211 2.367 1.542 -3.693 547 1H5* G 212 1H5* G 212 2.968 -2.983 -8.764 548 2H5* G 212 2H5* G 212 3.756 -1.414 -8.592 549 H4* G 212 H4* G 212 5.484 -3.798 -9.073 550 H3* G 212 H3* G 212 3.676 -3.736 -6.825 551 1H2* G 212 1H2* G 212 5.053 -2.804 -5.272 552 2HO* G 212 2HO* G 212 5.870 -4.841 -4.910 553 H1* G 212 H1* G 212 7.449 -2.673 -7.054 554 H8 G 212 H8 G 212 4.495 -0.403 -6.099 555 H1 G 212 H1 G 212 10.382 1.945 -4.791 556 1H2 G 212 1H2 G 212 11.813 0.574 -5.362 557 2H2 G 212 2H2 G 212 11.469 -0.981 -6.085 558 1H5* G 213 1H5* G 213 2.488 -4.853 -8.236 559 2H5* G 213 2H5* G 213 1.239 -6.078 -8.456 560 H4* G 213 H4* G 213 1.747 -5.651 -10.630 561 H3* G 213 H3* G 213 3.604 -7.857 -9.772 562 1H2* G 213 1H2* G 213 4.635 -7.850 -11.854 563 2HO* G 213 2HO* G 213 3.371 -7.048 -13.649 564 H1* G 213 H1* G 213 4.615 -5.141 -12.370 565 H8 G 213 H8 G 213 5.149 -6.715 -8.905 566 H1 G 213 H1 G 213 10.453 -4.341 -11.754 567 1H2 G 213 1H2 G 213 9.961 -3.600 -13.614 568 2H2 G 213 2H2 G 213 8.352 -3.619 -14.300 569 1H5* C 214 1H5* C 214 2.050 -9.039 -13.512 570 2H5* C 214 2H5* C 214 2.115 -10.795 -13.659 571 H4* C 214 H4* C 214 3.611 -9.597 -15.229 572 H3* C 214 H3* C 214 4.892 -11.468 -13.220 573 1H2* C 214 1H2* C 214 6.896 -11.224 -14.390 574 2HO* C 214 2HO* C 214 6.694 -11.113 -16.573 575 H1* C 214 H1* C 214 6.641 -8.530 -15.036 576 1H4 C 214 1H4 C 214 9.906 -8.172 -9.591 577 2H4 C 214 2H4 C 214 8.558 -8.849 -8.703 578 H5 C 214 H5 C 214 6.547 -9.568 -9.710 579 H6 C 214 H6 C 214 5.322 -9.819 -11.839 580 1H5* U 215 1H5* U 215 5.023 -13.496 -16.966 581 2H5* U 215 2H5* U 215 5.019 -15.257 -16.894 582 H4* U 215 H4* U 215 7.089 -14.344 -17.855 583 H3* U 215 H3* U 215 7.088 -16.135 -15.511 584 1H2* U 215 1H2* U 215 9.162 -15.563 -14.736 585 2HO* U 215 2HO* U 215 10.784 -15.477 -16.308 586 H1* U 215 H1* U 215 9.315 -13.040 -16.251 587 H3 U 215 H3 U 215 11.053 -11.739 -12.274 588 H5 U 215 H5 U 215 7.054 -12.610 -11.384 589 H6 U 215 H6 U 215 6.837 -13.474 -13.668 590 1H5* A 216 1H5* A 216 9.862 -17.102 -18.132 591 2H5* A 216 2H5* A 216 10.308 -18.677 -18.790 592 H4* A 216 H4* A 216 12.228 -18.003 -17.690 593 H3* A 216 H3* A 216 10.650 -19.792 -15.841 594 1H2* A 216 1H2* A 216 12.288 -19.567 -14.223 595 2HO* A 216 2HO* A 216 13.987 -18.680 -16.372 596 H1* A 216 H1* A 216 13.129 -16.936 -15.161 597 H8 A 216 H8 A 216 9.594 -17.640 -13.976 598 1H6 A 216 1H6 A 216 11.418 -15.287 -8.491 599 2H6 A 216 2H6 A 216 10.040 -15.877 -9.392 600 H2 A 216 H2 A 216 14.980 -15.580 -11.131 601 1H5* G 217 1H5* G 217 14.129 -21.301 -16.541 602 2H5* G 217 2H5* G 217 14.648 -22.972 -16.318 603 H4* G 217 H4* G 217 15.420 -21.779 -14.438 604 H3* G 217 H3* G 217 12.857 -23.164 -13.558 605 1H2* G 217 1H2* G 217 13.683 -22.827 -11.411 606 2HO* G 217 2HO* G 217 16.225 -22.536 -12.735 607 H1* G 217 H1* G 217 15.200 -20.476 -12.140 608 H8 G 217 H8 G 217 11.468 -20.800 -12.803 609 H1 G 217 H1 G 217 13.007 -17.702 -7.333 610 1H2 G 217 1H2 G 217 15.044 -17.812 -7.028 611 2H2 G 217 2H2 G 217 16.168 -18.623 -8.096 612 1H5* U 218 1H5* U 218 15.932 -25.427 -12.017 613 2H5* U 218 2H5* U 218 15.619 -27.157 -11.881 614 H4* U 218 H4* U 218 16.047 -26.493 -9.696 615 H3* U 218 H3* U 218 13.055 -26.581 -10.117 616 1H2* U 218 1H2* U 218 12.764 -26.146 -7.830 617 2HO* U 218 2HO* U 218 15.598 -26.618 -7.634 618 H1* U 218 H1* U 218 14.922 -24.301 -7.678 619 H3 U 218 H3 U 218 11.622 -21.379 -6.843 620 H5 U 218 H5 U 218 10.686 -22.754 -10.686 621 H6 U 218 H6 U 218 12.564 -24.316 -10.478 622 1H5* C 219 1H5* C 219 14.078 -28.903 -6.931 623 2H5* C 219 2H5* C 219 13.282 -30.473 -6.828 624 H4* C 219 H4* C 219 12.847 -29.474 -4.772 625 H3* C 219 H3* C 219 10.487 -29.228 -6.607 626 1H2* C 219 1H2* C 219 9.262 -28.080 -4.959 627 2HO* C 219 2HO* C 219 11.473 -28.836 -3.274 628 H1* C 219 H1* C 219 11.419 -26.458 -4.144 629 1H4 C 219 1H4 C 219 8.304 -22.607 -8.137 630 2H4 C 219 2H4 C 219 8.678 -23.658 -9.484 631 H5 C 219 H5 C 219 9.830 -25.709 -9.272 632 H6 C 219 H6 C 219 10.919 -27.271 -7.698 633 1H5* C 220 1H5* C 220 8.950 -31.378 -3.385 634 2H5* C 220 2H5* C 220 8.279 -32.954 -3.802 635 H4* C 220 H4* C 220 6.490 -32.000 -2.751 636 H3* C 220 H3* C 220 6.230 -31.461 -5.683 637 1H2* C 220 1H2* C 220 4.273 -30.181 -5.349 638 2HO* C 220 2HO* C 220 4.559 -31.078 -2.626 639 H1* C 220 H1* C 220 5.336 -28.735 -3.182 640 1H4 C 220 1H4 C 220 6.467 -24.751 -8.006 641 2H4 C 220 2H4 C 220 7.493 -25.934 -8.786 642 H5 C 220 H5 C 220 7.869 -28.109 -7.944 643 H6 C 220 H6 C 220 7.346 -29.699 -6.129 No H/Q in entry = 643 Start of MODEL 2 1 H MET 1 HN MET 1 4.898 -12.124 5.616 2 HA MET 1 HA MET 1 3.499 -10.471 5.805 3 1HB MET 1 2HB MET 1 5.997 -9.249 5.019 4 2HB MET 1 3HB MET 1 4.727 -8.387 4.174 5 1HG MET 1 2HG MET 1 4.446 -8.974 7.141 6 2HG MET 1 3HG MET 1 5.409 -7.612 6.603 7 1HE MET 1 2HE MET 1 4.561 -5.548 5.432 8 2HE MET 1 3HE MET 1 4.023 -6.519 4.039 9 3HE MET 1 1HE MET 1 2.921 -5.330 4.774 10 H GLN 2 HN GLN 2 2.830 -12.279 3.835 11 HA GLN 2 HA GLN 2 1.966 -12.556 1.804 12 1HB GLN 2 2HB GLN 2 -0.247 -11.472 1.651 13 2HB GLN 2 3HB GLN 2 0.075 -12.000 3.290 14 1HG GLN 2 2HG GLN 2 1.017 -9.558 3.639 15 2HG GLN 2 3HG GLN 2 0.129 -9.178 2.177 16 1HE2 GLN 2 2HE2 GLN 2 -2.154 -8.376 4.902 17 2HE2 GLN 2 1HE2 GLN 2 -0.679 -7.811 4.193 18 H LYS 3 HN LYS 3 4.205 -11.359 1.091 19 HA LYS 3 HA LYS 3 3.594 -9.986 -1.234 20 1HB LYS 3 2HB LYS 3 3.154 -8.250 0.780 21 2HB LYS 3 3HB LYS 3 4.873 -7.987 0.565 22 1HG LYS 3 2HG LYS 3 4.561 -7.492 -1.822 23 2HG LYS 3 3HG LYS 3 2.867 -7.932 -1.736 24 1HD LYS 3 2HD LYS 3 2.261 -5.975 -0.618 25 2HD LYS 3 3HD LYS 3 3.815 -5.811 0.173 26 1HE LYS 3 2HE LYS 3 4.174 -5.610 -2.711 27 2HE LYS 3 3HE LYS 3 2.922 -4.495 -2.202 28 1HZ LYS 3 1HZ LYS 3 5.631 -4.112 -1.919 29 2HZ LYS 3 2HZ LYS 3 4.469 -3.203 -1.228 30 H GLY 4 HN GLY 4 5.028 -12.005 -1.399 31 1HA GLY 4 1HA GLY 4 7.658 -12.047 -0.484 32 2HA GLY 4 2HA GLY 4 7.032 -12.891 -1.886 33 H ASN 5 HN ASN 5 6.118 -10.244 -3.133 34 HA ASN 5 HA ASN 5 8.344 -9.851 -4.702 35 1HB ASN 5 2HB ASN 5 5.752 -9.158 -4.942 36 2HB ASN 5 3HB ASN 5 6.324 -7.625 -4.313 37 1HD2 ASN 5 1HD2 ASN 5 6.630 -6.225 -5.854 38 2HD2 ASN 5 2HD2 ASN 5 7.337 -6.505 -7.410 39 H PHE 6 HN PHE 6 7.595 -8.783 -1.499 40 HA PHE 6 HA PHE 6 8.694 -6.238 -1.441 41 1HB PHE 6 2HB PHE 6 7.401 -7.145 0.423 42 2HB PHE 6 3HB PHE 6 8.402 -8.580 0.510 43 HD1 PHE 6 HD1 PHE 6 10.693 -8.429 1.472 44 HD2 PHE 6 HD2 PHE 6 8.004 -5.149 1.583 45 HE1 PHE 6 HE1 PHE 6 12.082 -7.352 3.263 46 HE2 PHE 6 HE2 PHE 6 9.392 -4.071 3.375 47 HZ PHE 6 HZ PHE 6 11.415 -5.186 4.193 48 H ARG 7 HN ARG 7 10.210 -9.277 -2.042 49 HA ARG 7 HA ARG 7 12.614 -8.911 -0.751 50 1HB ARG 7 2HB ARG 7 11.873 -10.382 -3.322 51 2HB ARG 7 3HB ARG 7 13.490 -10.455 -2.650 52 1HG ARG 7 2HG ARG 7 12.584 -11.362 -0.516 53 2HG ARG 7 3HG ARG 7 10.952 -11.239 -1.139 54 1HD ARG 7 2HD ARG 7 13.133 -12.916 -2.467 55 2HD ARG 7 3HD ARG 7 11.988 -13.564 -1.310 56 HE ARG 7 HE ARG 7 11.399 -12.701 -4.075 57 1HH1 ARG 7 2HH2 ARG 7 10.079 -13.694 -0.940 58 2HH1 ARG 7 1HH2 ARG 7 8.529 -14.121 -1.588 59 HH2 ARG 7 HH1 ARG 7 8.127 -13.860 -3.936 60 H ASN 8 HN ASN 8 11.187 -7.088 -3.269 61 HA ASN 8 HA ASN 8 13.262 -6.555 -4.953 62 1HB ASN 8 2HB ASN 8 12.064 -4.428 -5.444 63 2HB ASN 8 3HB ASN 8 10.923 -5.748 -5.289 64 1HD2 ASN 8 2HD2 ASN 8 10.050 -2.567 -3.311 65 2HD2 ASN 8 1HD2 ASN 8 10.737 -2.797 -4.884 66 H GLN 9 HN GLN 9 12.795 -5.756 -1.581 67 HA GLN 9 HA GLN 9 14.178 -3.364 -1.441 68 1HB GLN 9 2HB GLN 9 13.711 -5.592 0.576 69 2HB GLN 9 3HB GLN 9 14.559 -4.120 1.005 70 1HG GLN 9 2HG GLN 9 12.384 -3.014 -0.204 71 2HG GLN 9 3HG GLN 9 11.660 -4.518 0.332 72 1HE2 GLN 9 2HE2 GLN 9 11.067 -2.178 3.059 73 2HE2 GLN 9 1HE2 GLN 9 10.562 -2.482 1.431 74 H ARG 10 HN ARG 10 15.270 -6.487 -2.311 75 HA ARG 10 HA ARG 10 17.766 -6.488 -1.100 76 1HB ARG 10 2HB ARG 10 18.325 -8.249 -2.726 77 2HB ARG 10 3HB ARG 10 16.679 -8.483 -2.173 78 1HG ARG 10 2HG ARG 10 15.753 -7.554 -4.204 79 2HG ARG 10 3HG ARG 10 17.303 -6.906 -4.702 80 1HD ARG 10 2HD ARG 10 17.661 -8.821 -5.870 81 2HD ARG 10 3HD ARG 10 17.779 -9.677 -4.345 82 HE ARG 10 HE ARG 10 15.467 -9.635 -6.158 83 1HH1 ARG 10 2HH2 ARG 10 16.565 -10.306 -2.856 84 2HH1 ARG 10 1HH2 ARG 10 15.231 -11.351 -2.493 85 HH2 ARG 10 HH1 ARG 10 13.565 -11.753 -4.167 86 H LYS 11 HN LYS 11 16.425 -4.531 -3.606 87 HA LYS 11 HA LYS 11 19.126 -3.800 -4.504 88 1HB LYS 11 2HB LYS 11 17.897 -4.828 -6.316 89 2HB LYS 11 3HB LYS 11 16.511 -3.793 -6.035 90 1HG LYS 11 2HG LYS 11 17.577 -1.882 -6.898 91 2HG LYS 11 3HG LYS 11 19.184 -2.482 -6.537 92 1HD LYS 11 2HD LYS 11 17.388 -3.772 -8.638 93 2HD LYS 11 3HD LYS 11 18.500 -2.474 -9.021 94 1HE LYS 11 2HE LYS 11 19.540 -4.896 -7.530 95 2HE LYS 11 3HE LYS 11 19.257 -5.020 -9.255 96 1HZ LYS 11 1HZ LYS 11 20.927 -2.887 -8.038 97 2HZ LYS 11 2HZ LYS 11 21.539 -4.259 -8.668 98 H THR 12 HN THR 12 17.884 -2.869 -2.061 99 HA THR 12 HA THR 12 17.055 -1.007 -1.069 100 HB THR 12 HB THR 12 19.626 -0.821 -1.605 101 HG1 THR 12 HG1 THR 12 18.432 0.435 0.006 102 1HG2 THR 12 1HG2 THR 12 18.595 0.429 -3.945 103 2HG2 THR 12 2HG2 THR 12 19.131 1.763 -2.896 104 3HG2 THR 12 3HG2 THR 12 20.277 0.484 -3.366 105 H VAL 13 HN VAL 13 15.204 -1.621 -2.949 106 HA VAL 13 HA VAL 13 14.630 -0.038 -5.005 107 HB VAL 13 HB VAL 13 12.223 -0.203 -4.240 108 1HG1 VAL 13 3HG1 VAL 13 14.107 -2.271 -4.981 109 2HG1 VAL 13 1HG1 VAL 13 12.799 -2.947 -3.982 110 3HG1 VAL 13 2HG1 VAL 13 12.410 -2.054 -5.472 111 1HG2 VAL 13 3HG2 VAL 13 13.561 -1.534 -1.867 112 2HG2 VAL 13 1HG2 VAL 13 12.448 -0.145 -1.859 113 3HG2 VAL 13 2HG2 VAL 13 11.847 -1.764 -2.293 114 H LYS 14 HN LYS 14 13.428 1.978 -5.336 115 HA LYS 14 HA LYS 14 14.051 3.886 -3.200 116 1HB LYS 14 2HB LYS 14 14.420 5.507 -4.817 117 2HB LYS 14 3HB LYS 14 15.079 4.065 -5.563 118 1HG LYS 14 2HG LYS 14 12.407 3.959 -6.351 119 2HG LYS 14 3HG LYS 14 12.718 5.682 -6.347 120 1HD LYS 14 2HD LYS 14 14.854 3.993 -7.590 121 2HD LYS 14 3HD LYS 14 13.326 4.026 -8.447 122 1HE LYS 14 2HE LYS 14 13.474 6.309 -8.931 123 2HE LYS 14 3HE LYS 14 14.412 6.667 -7.494 124 1HZ LYS 14 1HZ LYS 14 15.385 5.455 -10.011 125 2HZ LYS 14 2HZ LYS 14 15.935 6.796 -9.269 126 H CYS 15 HN CYS 15 12.458 5.261 -2.375 127 HA CYS 15 HA CYS 15 9.811 4.255 -2.627 128 1HB CYS 15 2HB CYS 15 10.695 5.088 -0.482 129 2HB CYS 15 3HB CYS 15 10.856 6.698 -1.156 130 H PHE 16 HN PHE 16 8.467 4.787 -4.312 131 HA PHE 16 HA PHE 16 9.126 7.006 -5.993 132 1HB PHE 16 2HB PHE 16 7.007 4.815 -5.789 133 2HB PHE 16 3HB PHE 16 6.764 6.118 -6.934 134 HD1 PHE 16 HD1 PHE 16 9.494 6.562 -7.945 135 HD2 PHE 16 HD2 PHE 16 7.457 2.941 -7.082 136 HE1 PHE 16 HE1 PHE 16 10.925 5.359 -9.619 137 HE2 PHE 16 HE2 PHE 16 8.888 1.738 -8.756 138 HZ PHE 16 HZ PHE 16 10.605 2.961 -10.005 139 H ASN 17 HN ASN 17 7.944 7.112 -2.996 140 HA ASN 17 HA ASN 17 5.720 8.858 -3.640 141 1HB ASN 17 2HB ASN 17 5.649 6.934 -1.842 142 2HB ASN 17 3HB ASN 17 6.593 8.020 -0.841 143 1HD2 ASN 17 2HD2 ASN 17 3.495 9.093 0.402 144 2HD2 ASN 17 1HD2 ASN 17 4.912 8.129 0.652 145 H CYS 18 HN CYS 18 8.562 8.632 -1.357 146 HA CYS 18 HA CYS 18 8.609 11.524 -1.191 147 1HB CYS 18 2HB CYS 18 10.312 11.153 0.581 148 2HB CYS 18 3HB CYS 18 8.781 10.368 0.916 149 H GLY 19 HN GLY 19 10.472 8.685 -2.372 150 1HA GLY 19 1HA GLY 19 11.778 8.839 -4.330 151 2HA GLY 19 2HA GLY 19 12.116 10.522 -3.981 152 H LYS 20 HN LYS 20 12.188 8.069 -1.401 153 HA LYS 20 HA LYS 20 15.039 8.598 -1.113 154 1HB LYS 20 2HB LYS 20 12.841 7.687 0.711 155 2HB LYS 20 3HB LYS 20 14.491 7.238 1.093 156 1HG LYS 20 2HG LYS 20 15.206 9.545 1.193 157 2HG LYS 20 3HG LYS 20 13.732 10.113 0.433 158 1HD LYS 20 2HD LYS 20 12.419 9.316 2.425 159 2HD LYS 20 3HD LYS 20 13.911 8.800 3.187 160 1HE LYS 20 2HE LYS 20 14.276 10.901 3.959 161 2HE LYS 20 3HE LYS 20 14.275 11.529 2.323 162 1HZ LYS 20 1HZ LYS 20 12.502 12.587 3.493 163 2HZ LYS 20 2HZ LYS 20 11.773 11.528 2.493 164 H GLU 21 HN GLU 21 15.998 6.347 0.109 165 HA GLU 21 HA GLU 21 15.337 4.198 -1.735 166 1HB GLU 21 2HB GLU 21 17.850 5.694 -1.600 167 2HB GLU 21 3HB GLU 21 18.122 3.992 -1.287 168 1HG GLU 21 2HG GLU 21 17.264 3.325 -3.396 169 2HG GLU 21 3HG GLU 21 16.353 4.807 -3.608 170 HE2 GLU 21 HE2 GLU 21 19.689 3.699 -4.592 171 H GLY 22 HN GLY 22 14.840 2.374 -0.601 172 1HA GLY 22 1HA GLY 22 16.014 0.839 1.059 173 2HA GLY 22 2HA GLY 22 15.836 2.183 2.170 174 H HIS 23 HN HIS 23 13.195 2.641 0.296 175 HA HIS 23 HA HIS 23 11.557 0.502 1.251 176 1HB HIS 23 2HB HIS 23 10.214 1.653 2.776 177 2HB HIS 23 3HB HIS 23 11.855 2.069 3.232 178 HD1 HIS 23 HD1 HIS 23 12.637 4.537 2.851 179 HD2 HIS 23 HD2 HIS 23 8.652 3.792 1.775 180 HE1 HIS 23 HE1 HIS 23 11.544 6.820 2.533 181 H ILE 24 HN ILE 24 9.308 0.694 0.391 182 HA ILE 24 HA ILE 24 9.336 2.367 -2.021 183 HB ILE 24 HB ILE 24 7.978 0.740 -3.074 184 1HG1 ILE 24 2HG1 ILE 24 7.851 -0.793 -0.461 185 2HG1 ILE 24 3HG1 ILE 24 6.564 0.226 -1.077 186 1HG2 ILE 24 3HG2 ILE 24 10.573 0.280 -2.331 187 2HG2 ILE 24 1HG2 ILE 24 9.766 -1.217 -1.805 188 3HG2 ILE 24 2HG2 ILE 24 9.646 -0.691 -3.501 189 1HD1 ILE 24 1HD1 ILE 24 7.756 -2.119 -2.625 190 2HD1 ILE 24 2HD1 ILE 24 6.273 -2.213 -1.643 191 3HD1 ILE 24 3HD1 ILE 24 6.326 -1.161 -3.078 192 H ALA 25 HN ALA 25 7.199 3.250 -2.709 193 HA ALA 25 HA ALA 25 6.057 4.792 -0.770 194 1HB ALA 25 2HB ALA 25 5.025 3.750 -3.428 195 2HB ALA 25 3HB ALA 25 4.128 4.939 -2.454 196 3HB ALA 25 1HB ALA 25 5.749 5.336 -3.070 197 H LYS 26 HN LYS 26 5.285 1.439 -1.751 198 HA LYS 26 HA LYS 26 2.830 1.236 -0.455 199 1HB LYS 26 2HB LYS 26 4.878 -0.947 -0.928 200 2HB LYS 26 3HB LYS 26 3.165 -1.167 -0.635 201 1HG LYS 26 2HG LYS 26 3.930 0.663 -2.896 202 2HG LYS 26 3HG LYS 26 4.221 -1.049 -3.133 203 1HD LYS 26 2HD LYS 26 1.538 -0.200 -2.038 204 2HD LYS 26 3HD LYS 26 1.855 0.066 -3.740 205 1HE LYS 26 2HE LYS 26 2.474 -2.366 -3.980 206 2HE LYS 26 3HE LYS 26 2.082 -2.616 -2.291 207 1HZ LYS 26 1HZ LYS 26 -0.116 -1.340 -3.400 208 2HZ LYS 26 2HZ LYS 26 0.300 -2.475 -4.491 209 H ASN 27 HN ASN 27 6.208 0.675 0.695 210 HA ASN 27 HA ASN 27 5.149 0.175 3.330 211 1HB ASN 27 2HB ASN 27 7.945 0.043 2.106 212 2HB ASN 27 3HB ASN 27 7.694 -0.126 3.833 213 1HD2 ASN 27 2HD2 ASN 27 6.187 -2.978 1.213 214 2HD2 ASN 27 1HD2 ASN 27 6.374 -1.321 0.747 215 H CYS 28 HN CYS 28 5.443 2.873 1.613 216 HA CYS 28 HA CYS 28 7.207 4.401 3.283 217 1HB CYS 28 2HB CYS 28 7.057 4.879 0.876 218 2HB CYS 28 3HB CYS 28 5.355 5.261 1.036 219 H ARG 29 HN ARG 29 6.576 5.582 5.082 220 HA ARG 29 HA ARG 29 3.984 5.154 6.059 221 1HB ARG 29 2HB ARG 29 6.445 6.640 6.956 222 2HB ARG 29 3HB ARG 29 4.932 7.102 7.707 223 1HG ARG 29 2HG ARG 29 4.726 5.111 8.846 224 2HG ARG 29 3HG ARG 29 5.353 4.160 7.514 225 1HD ARG 29 2HD ARG 29 7.328 4.007 8.623 226 2HD ARG 29 3HD ARG 29 7.558 5.726 8.371 227 HE ARG 29 HE ARG 29 6.810 6.158 10.584 228 1HH1 ARG 29 2HH2 ARG 29 6.422 2.728 9.784 229 2HH1 ARG 29 1HH2 ARG 29 6.134 2.251 11.423 230 HH2 ARG 29 HH1 ARG 29 6.144 3.913 13.150 231 H ALA 30 HN ALA 30 5.614 7.724 4.227 232 HA ALA 30 HA ALA 30 3.936 9.859 4.797 233 1HB ALA 30 1HB ALA 30 6.179 9.516 3.354 234 2HB ALA 30 2HB ALA 30 5.000 9.504 2.022 235 3HB ALA 30 3HB ALA 30 5.096 10.908 3.112 236 HA PRO 31 HA PRO 31 0.273 8.933 2.694 237 1HB PRO 31 2HB PRO 31 -0.620 11.391 1.902 238 2HB PRO 31 3HB PRO 31 -0.795 10.789 3.539 239 1HG PRO 31 2HG PRO 31 1.092 12.815 2.500 240 2HG PRO 31 3HG PRO 31 0.610 12.510 4.158 241 1HD PRO 31 2HD PRO 31 3.081 11.740 2.918 242 2HD PRO 31 3HD PRO 31 2.550 11.336 4.539 243 H ARG 32 HN ARG 32 -0.656 8.292 0.769 244 HA ARG 32 HA ARG 32 1.108 8.086 -1.304 245 1HB ARG 32 2HB ARG 32 -1.949 8.068 -1.455 246 2HB ARG 32 3HB ARG 32 -0.873 7.375 -2.653 247 1HG ARG 32 2HG ARG 32 -1.015 6.499 0.272 248 2HG ARG 32 3HG ARG 32 -1.788 5.661 -1.059 249 1HD ARG 32 2HD ARG 32 1.085 6.174 -1.556 250 2HD ARG 32 3HD ARG 32 0.812 5.199 -0.126 251 HE ARG 32 HE ARG 32 0.587 4.263 -2.784 252 1HH1 ARG 32 2HH2 ARG 32 -1.362 4.192 0.174 253 2HH1 ARG 32 1HH2 ARG 32 -2.146 2.701 -0.229 254 HH2 ARG 32 HH1 ARG 32 -1.593 1.605 -2.287 255 H LYS 33 HN LYS 33 1.993 9.789 -2.444 256 HA LYS 33 HA LYS 33 0.133 11.707 -3.600 257 1HB LYS 33 2HB LYS 33 1.387 13.626 -2.891 258 2HB LYS 33 3HB LYS 33 0.933 12.704 -1.472 259 1HG LYS 33 2HG LYS 33 3.401 11.580 -2.181 260 2HG LYS 33 3HG LYS 33 3.623 13.278 -2.555 261 1HD LYS 33 2HD LYS 33 2.288 12.672 0.062 262 2HD LYS 33 3HD LYS 33 3.980 12.232 -0.057 263 1HE LYS 33 2HE LYS 33 4.464 14.595 -0.886 264 2HE LYS 33 3HE LYS 33 2.791 15.000 -0.559 265 1HZ LYS 33 1HZ LYS 33 3.269 14.166 1.791 266 2HZ LYS 33 2HZ LYS 33 4.851 14.209 1.411 267 H LYS 34 HN LYS 34 1.832 13.310 -4.994 268 HA LYS 34 HA LYS 34 3.728 11.532 -6.317 269 1HB LYS 34 2HB LYS 34 1.193 12.544 -7.460 270 2HB LYS 34 3HB LYS 34 2.605 12.779 -8.471 271 1HG LYS 34 2HG LYS 34 3.153 10.392 -8.380 272 2HG LYS 34 3HG LYS 34 1.911 10.102 -7.178 273 1HD LYS 34 2HD LYS 34 0.149 10.748 -8.812 274 2HD LYS 34 3HD LYS 34 1.373 11.111 -10.012 275 1HE LYS 34 2HE LYS 34 2.120 8.560 -9.400 276 2HE LYS 34 3HE LYS 34 0.413 8.445 -9.021 277 1HZ LYS 34 1HZ LYS 34 -0.075 8.476 -11.205 278 2HZ LYS 34 2HZ LYS 34 0.820 9.804 -11.498 279 H GLY 35 HN GLY 35 4.511 13.389 -4.493 280 1HA GLY 35 1HA GLY 35 4.960 15.949 -5.760 281 2HA GLY 35 2HA GLY 35 5.504 15.420 -4.179 282 H CYS 36 HN CYS 36 6.538 16.251 -7.266 283 HA CYS 36 HA CYS 36 8.449 14.391 -7.905 284 1HB CYS 36 2HB CYS 36 7.892 16.110 -9.472 285 2HB CYS 36 3HB CYS 36 8.358 17.383 -8.361 286 H TRP 37 HN TRP 37 10.289 13.725 -6.844 287 HA TRP 37 HA TRP 37 11.092 15.171 -4.480 288 1HB TRP 37 2HB TRP 37 12.760 12.921 -5.268 289 2HB TRP 37 3HB TRP 37 11.895 13.224 -3.775 290 HD1 TRP 37 HD1 TRP 37 9.080 12.602 -3.983 291 HE1 TRP 37 HE1 TRP 37 7.882 10.544 -5.118 292 HE3 TRP 37 HE3 TRP 37 12.957 11.355 -7.027 293 HZ2 TRP 37 HZ2 TRP 37 8.673 8.667 -7.118 294 HZ3 TRP 37 HZ3 TRP 37 12.661 9.396 -8.540 295 HH2 TRP 37 HH2 TRP 37 10.610 8.070 -8.616 296 H LYS 38 HN LYS 38 11.350 16.618 -6.984 297 HA LYS 38 HA LYS 38 14.265 16.889 -7.008 298 1HB LYS 38 2HB LYS 38 12.872 15.737 -9.097 299 2HB LYS 38 3HB LYS 38 12.977 17.413 -9.598 300 1HG LYS 38 2HG LYS 38 14.954 16.191 -10.398 301 2HG LYS 38 3HG LYS 38 15.444 17.386 -9.212 302 1HD LYS 38 2HD LYS 38 14.884 15.105 -7.660 303 2HD LYS 38 3HD LYS 38 15.643 14.447 -9.096 304 1HE LYS 38 2HE LYS 38 17.692 15.300 -8.547 305 2HE LYS 38 3HE LYS 38 17.028 16.864 -8.117 306 1HZ LYS 38 1HZ LYS 38 16.399 14.725 -6.257 307 2HZ LYS 38 2HZ LYS 38 17.975 15.125 -6.315 308 H CYS 39 HN CYS 39 11.058 18.318 -7.901 309 HA CYS 39 HA CYS 39 12.242 20.930 -7.316 310 1HB CYS 39 2HB CYS 39 10.302 21.847 -8.632 311 2HB CYS 39 3HB CYS 39 11.461 20.918 -9.564 312 H GLY 40 HN GLY 40 9.718 18.527 -6.597 313 1HA GLY 40 1HA GLY 40 8.700 18.334 -4.517 314 2HA GLY 40 2HA GLY 40 9.024 20.023 -4.179 315 H LYS 41 HN LYS 41 7.783 19.181 -7.375 316 HA LYS 41 HA LYS 41 5.272 20.484 -6.641 317 1HB LYS 41 2HB LYS 41 7.050 20.758 -8.829 318 2HB LYS 41 3HB LYS 41 5.595 20.022 -9.471 319 1HG LYS 41 2HG LYS 41 5.091 22.322 -9.587 320 2HG LYS 41 3HG LYS 41 4.305 21.841 -8.096 321 1HD LYS 41 2HD LYS 41 6.059 22.769 -6.737 322 2HD LYS 41 3HD LYS 41 7.158 22.898 -8.097 323 1HE LYS 41 2HE LYS 41 6.279 25.124 -7.590 324 2HE LYS 41 3HE LYS 41 5.642 24.613 -9.140 325 1HZ LYS 41 1HZ LYS 41 4.222 25.025 -6.650 326 2HZ LYS 41 2HZ LYS 41 3.672 25.151 -8.178 327 H GLU 42 HN GLU 42 3.514 19.255 -6.262 328 HA GLU 42 HA GLU 42 3.657 16.480 -6.878 329 1HB GLU 42 2HB GLU 42 1.395 16.424 -5.761 330 2HB GLU 42 3HB GLU 42 2.661 17.122 -4.770 331 1HG GLU 42 2HG GLU 42 1.903 19.382 -5.227 332 2HG GLU 42 3HG GLU 42 0.829 18.838 -6.500 333 HE2 GLU 42 HE2 GLU 42 -0.726 19.428 -3.188 334 H GLY 43 HN GLY 43 2.940 15.514 -8.730 335 1HA GLY 43 1HA GLY 43 0.711 15.590 -10.069 336 2HA GLY 43 2HA GLY 43 1.346 17.141 -10.582 337 H HIS 44 HN HIS 44 4.061 16.744 -10.902 338 HA HIS 44 HA HIS 44 4.058 14.802 -13.075 339 1HB HIS 44 2HB HIS 44 5.844 16.054 -14.034 340 2HB HIS 44 3HB HIS 44 4.587 17.182 -13.567 341 HD1 HIS 44 HD1 HIS 44 5.164 18.970 -11.817 342 HD2 HIS 44 HD2 HIS 44 8.218 16.154 -12.396 343 HE1 HIS 44 HE1 HIS 44 7.215 19.878 -10.600 344 H GLN 45 HN GLN 45 6.652 14.113 -13.405 345 HA GLN 45 HA GLN 45 7.442 13.099 -10.789 346 1HB GLN 45 2HB GLN 45 7.286 11.594 -13.431 347 2HB GLN 45 3HB GLN 45 8.212 11.000 -12.066 348 1HG GLN 45 2HG GLN 45 6.342 10.269 -10.997 349 2HG GLN 45 3HG GLN 45 5.532 11.810 -11.207 350 1HE2 GLN 45 2HE2 GLN 45 5.364 9.322 -14.511 351 2HE2 GLN 45 1HE2 GLN 45 6.857 9.706 -13.720 352 H MET 46 HN MET 46 9.787 12.599 -10.595 353 HA MET 46 HA MET 46 11.353 14.628 -11.464 354 1HB MET 46 2HB MET 46 11.981 13.097 -9.630 355 2HB MET 46 3HB MET 46 12.054 11.734 -10.731 356 1HG MET 46 2HG MET 46 13.803 13.628 -11.884 357 2HG MET 46 3HG MET 46 14.097 13.778 -10.163 358 1HE MET 46 1HE MET 46 13.743 11.644 -13.161 359 2HE MET 46 2HE MET 46 15.518 11.782 -13.164 360 3HE MET 46 3HE MET 46 14.748 10.201 -12.886 361 H LYS 47 HN LYS 47 10.732 11.450 -13.029 362 HA LYS 47 HA LYS 47 12.725 11.582 -14.955 363 1HB LYS 47 2HB LYS 47 10.952 9.723 -14.226 364 2HB LYS 47 3HB LYS 47 10.084 10.347 -15.614 365 1HG LYS 47 2HG LYS 47 11.529 9.371 -17.077 366 2HG LYS 47 3HG LYS 47 12.927 10.013 -16.241 367 1HD LYS 47 2HD LYS 47 13.160 7.655 -16.025 368 2HD LYS 47 3HD LYS 47 12.539 8.165 -14.468 369 1HE LYS 47 2HE LYS 47 10.713 6.845 -14.721 370 2HE LYS 47 3HE LYS 47 10.279 7.680 -16.199 371 1HZ LYS 47 1HZ LYS 47 10.661 5.402 -16.750 372 2HZ LYS 47 2HZ LYS 47 11.948 6.203 -17.343 373 H ASP 48 HN ASP 48 9.438 13.023 -14.818 374 HA ASP 48 HA ASP 48 10.058 14.302 -17.360 375 1HB ASP 48 2HB ASP 48 7.505 13.458 -15.997 376 2HB ASP 48 3HB ASP 48 7.437 14.877 -17.023 377 HD2 ASP 48 HD2 ASP 48 5.944 13.041 -18.210 378 H CYS 49 HN CYS 49 11.138 15.124 -14.720 379 HA CYS 49 HA CYS 49 9.777 16.985 -13.338 380 1HB CYS 49 2HB CYS 49 12.102 16.192 -12.873 381 2HB CYS 49 3HB CYS 49 12.692 17.241 -14.148 382 H THR 50 HN THR 50 8.537 18.666 -14.099 383 HA THR 50 HA THR 50 9.054 19.804 -16.679 384 HB THR 50 HB THR 50 7.009 21.125 -16.093 385 HG1 THR 50 HG1 THR 50 6.194 20.496 -13.843 386 1HG2 THR 50 1HG2 THR 50 7.064 18.363 -16.405 387 2HG2 THR 50 2HG2 THR 50 6.260 18.536 -14.826 388 3HG2 THR 50 3HG2 THR 50 5.575 19.329 -16.266 389 H GLU 51 HN GLU 51 10.658 20.160 -13.800 390 HA GLU 51 HA GLU 51 10.930 23.023 -14.059 391 1HB GLU 51 2HB GLU 51 10.727 21.642 -11.825 392 2HB GLU 51 3HB GLU 51 12.430 21.304 -12.064 393 1HG GLU 51 2HG GLU 51 12.111 23.311 -10.639 394 2HG GLU 51 3HG GLU 51 12.944 23.723 -12.126 395 HE1 GLU 51 HE2 GLU 51 10.209 24.767 -10.329 396 H ARG 52 HN ARG 52 13.130 20.128 -13.818 397 HA ARG 52 HA ARG 52 15.132 19.773 -14.566 398 1HB ARG 52 2HB ARG 52 13.721 21.078 -16.871 399 2HB ARG 52 3HB ARG 52 15.461 20.936 -17.030 400 1HG ARG 52 2HG ARG 52 13.730 18.564 -16.220 401 2HG ARG 52 3HG ARG 52 14.020 18.959 -17.902 402 1HD ARG 52 2HD ARG 52 16.368 18.545 -17.727 403 2HD ARG 52 3HD ARG 52 16.356 18.671 -15.980 404 HE ARG 52 HE ARG 52 14.652 16.535 -16.485 405 1HH1 ARG 52 2HH2 ARG 52 18.000 17.282 -17.374 406 2HH1 ARG 52 1HH2 ARG 52 18.484 15.620 -17.443 407 HH2 ARG 52 HH1 ARG 52 16.874 13.909 -16.970 408 H GLN 53 HN GLN 53 15.407 21.653 -12.699 409 HA GLN 53 HA GLN 53 17.686 23.012 -13.402 410 1HB GLN 53 2HB GLN 53 15.748 24.376 -14.618 411 2HB GLN 53 3HB GLN 53 15.490 25.051 -13.020 412 1HG GLN 53 2HG GLN 53 17.900 25.724 -12.915 413 2HG GLN 53 3HG GLN 53 18.158 25.049 -14.512 414 1HE2 GLN 53 2HE2 GLN 53 17.241 27.913 -16.195 415 2HE2 GLN 53 1HE2 GLN 53 18.112 26.418 -16.109 416 H ALA 54 HN ALA 54 17.531 21.479 -11.345 417 HA ALA 54 HA ALA 54 17.955 23.059 -9.113 418 1HB ALA 54 3HB ALA 54 15.150 21.979 -9.417 419 2HB ALA 54 1HB ALA 54 15.880 22.145 -7.801 420 3HB ALA 54 2HB ALA 54 15.686 23.575 -8.842 421 H ASN 55 HN ASN 55 17.856 21.492 -7.020 422 HA ASN 55 HA ASN 55 18.701 18.873 -7.979 423 1HB ASN 55 2HB ASN 55 20.346 18.911 -6.010 424 2HB ASN 55 3HB ASN 55 20.724 20.030 -7.303 425 1HD2 ASN 55 2HD2 ASN 55 20.510 22.917 -5.406 426 2HD2 ASN 55 1HD2 ASN 55 20.886 22.128 -6.901 427 1H5* G 201 1H5* G 201 0.422 -21.244 -5.036 428 2H5* G 201 2H5* G 201 1.942 -20.395 -4.756 429 H4* G 201 H4* G 201 0.832 -21.951 -2.924 430 H3* G 201 H3* G 201 3.709 -21.380 -3.477 431 1H2* G 201 1H2* G 201 4.435 -22.970 -1.888 432 2HO* G 201 2HO* G 201 2.342 -22.189 -0.716 433 H1* G 201 H1* G 201 2.739 -24.998 -2.748 434 H8 G 201 H8 G 201 4.481 -22.481 -5.067 435 H1 G 201 H1 G 201 7.091 -28.401 -4.897 436 1H2 G 201 1H2 G 201 6.066 -29.567 -3.539 437 2H2 G 201 2H2 G 201 4.703 -29.021 -2.588 438 1H5* G 202 1H5* G 202 3.691 -21.042 0.192 439 2H5* G 202 2H5* G 202 4.236 -19.620 1.081 440 H4* G 202 H4* G 202 5.744 -21.258 1.718 441 H3* G 202 H3* G 202 6.948 -19.638 -0.519 442 1H2* G 202 1H2* G 202 8.957 -20.854 -0.299 443 2HO* G 202 2HO* G 202 7.644 -21.887 2.050 444 H1* G 202 H1* G 202 7.649 -23.347 -0.028 445 H8 G 202 H8 G 202 6.613 -20.730 -2.617 446 H1 G 202 H1 G 202 10.435 -25.455 -4.839 447 1H2 G 202 1H2 G 202 11.012 -26.668 -3.273 448 2H2 G 202 2H2 G 202 10.532 -26.439 -1.607 449 1H5* A 203 1H5* A 203 9.778 -19.813 2.460 450 2H5* A 203 2H5* A 203 10.295 -18.199 2.946 451 H4* A 203 H4* A 203 12.285 -19.341 2.573 452 H3* A 203 H3* A 203 11.575 -17.564 0.283 453 1H2* A 203 1H2* A 203 13.356 -18.326 -1.029 454 2HO* A 203 2HO* A 203 14.714 -19.946 0.593 455 H1* A 203 H1* A 203 13.112 -21.042 -0.262 456 H8 A 203 H8 A 203 10.084 -18.911 -1.198 457 1H6 A 203 1H6 A 203 10.497 -21.629 -6.802 458 2H6 A 203 2H6 A 203 9.544 -20.537 -5.823 459 H2 A 203 H2 A 203 13.941 -22.984 -4.342 460 1H5* C 204 1H5* C 204 15.790 -17.222 1.045 461 2H5* C 204 2H5* C 204 16.328 -15.563 0.788 462 H4* C 204 H4* C 204 17.605 -16.946 -0.650 463 H3* C 204 H3* C 204 15.513 -15.325 -2.069 464 1H2* C 204 1H2* C 204 16.213 -16.178 -4.153 465 2HO* C 204 2HO* C 204 18.450 -15.970 -3.416 466 H1* C 204 H1* C 204 16.477 -18.834 -3.153 467 1H4 C 204 1H4 C 204 10.943 -19.072 -6.289 468 2H4 C 204 2H4 C 204 10.218 -17.974 -5.136 469 H5 C 204 H5 C 204 11.402 -16.964 -3.358 470 H6 C 204 H6 C 204 13.592 -16.757 -2.238 471 1H5* U 205 1H5* U 205 19.493 -14.332 -2.885 472 2H5* U 205 2H5* U 205 20.126 -12.773 -3.415 473 H4* U 205 H4* U 205 20.502 -14.431 -5.121 474 H3* U 205 H3* U 205 18.589 -12.221 -5.745 475 1H2* U 205 1H2* U 205 17.906 -13.184 -7.721 476 2HO* U 205 2HO* U 205 20.219 -14.852 -7.746 477 H1* U 205 H1* U 205 18.521 -15.912 -6.949 478 H3 U 205 H3 U 205 14.243 -16.443 -8.278 479 H5 U 205 H5 U 205 13.915 -13.940 -4.935 480 H6 U 205 H6 U 205 16.365 -13.837 -4.896 481 1H5* A 206 1H5* A 206 20.841 -12.159 -8.594 482 2H5* A 206 2H5* A 206 21.730 -10.821 -9.320 483 H4* A 206 H4* A 206 20.136 -11.299 -10.919 484 H3* A 206 H3* A 206 18.845 -9.153 -9.195 485 1H2* A 206 1H2* A 206 17.261 -8.987 -10.879 486 2HO* A 206 2HO* A 206 19.359 -10.159 -12.469 487 H1* A 206 H1* A 206 17.563 -11.711 -11.785 488 H8 A 206 H8 A 206 16.798 -10.842 -8.160 489 1H6 A 206 1H6 A 206 10.839 -12.008 -9.601 490 2H6 A 206 2H6 A 206 11.931 -11.624 -8.290 491 H2 A 206 H2 A 206 13.242 -12.238 -13.332 492 1H5* G 207 1H5* G 207 19.894 -7.716 -12.663 493 2H5* G 207 2H5* G 207 20.026 -6.014 -13.105 494 H4* G 207 H4* G 207 18.031 -6.856 -14.079 495 H3* G 207 H3* G 207 17.313 -5.235 -11.608 496 1H2* G 207 1H2* G 207 15.144 -5.258 -12.429 497 2HO* G 207 2HO* G 207 16.151 -6.026 -14.993 498 H1* G 207 H1* G 207 15.447 -7.761 -13.837 499 H8 G 207 H8 G 207 16.204 -7.393 -10.126 500 H1 G 207 H1 G 207 10.267 -9.576 -11.496 501 1H2 G 207 1H2 G 207 9.960 -9.504 -13.533 502 2H2 G 207 2H2 G 207 11.136 -8.938 -14.698 503 1H5* C 208 1H5* C 208 17.960 -1.821 -14.878 504 2H5* C 208 2H5* C 208 17.676 -0.281 -14.066 505 H4* C 208 H4* C 208 15.948 -0.832 -15.733 506 H3* C 208 H3* C 208 15.248 -0.355 -12.876 507 1H2* C 208 1H2* C 208 12.972 -0.867 -13.215 508 2HO* C 208 2HO* C 208 12.665 -1.379 -15.741 509 H1* C 208 H1* C 208 13.546 -3.142 -14.826 510 1H4 C 208 1H4 C 208 12.130 -5.751 -9.195 511 2H4 C 208 2H4 C 208 13.565 -5.046 -8.485 512 H5 C 208 H5 C 208 15.033 -3.603 -9.641 513 H6 C 208 H6 C 208 15.492 -2.469 -11.786 514 1H5* G 209 1H5* G 209 13.532 2.153 -15.679 515 2H5* G 209 2H5* G 209 12.808 3.755 -15.536 516 H4* G 209 H4* G 209 11.097 2.235 -15.013 517 H3* G 209 H3* G 209 12.085 2.889 -12.223 518 1H2* G 209 1H2* G 209 9.768 2.730 -11.791 519 2HO* G 209 2HO* G 209 8.399 2.849 -13.831 520 H1* G 209 H1* G 209 9.309 0.664 -13.601 521 H8 G 209 H8 G 209 12.502 0.871 -11.492 522 H1 G 209 H1 G 209 7.955 -3.161 -9.266 523 1H2 G 209 1H2 G 209 6.278 -3.032 -10.459 524 2H2 G 209 2H2 G 209 6.126 -1.988 -11.853 525 1H5* G 210 1H5* G 210 9.398 5.280 -12.925 526 2H5* G 210 2H5* G 210 9.545 7.030 -13.077 527 H4* G 210 H4* G 210 8.385 5.530 -10.718 528 H3* G 210 H3* G 210 7.134 6.661 -13.130 529 1H2* G 210 1H2* G 210 6.422 8.505 -11.941 530 2HO* G 210 2HO* G 210 4.440 7.642 -11.756 531 H1* G 210 H1* G 210 6.466 7.621 -9.198 532 H8 G 210 H8 G 210 9.351 8.577 -11.549 533 H1 G 210 H1 G 210 8.042 12.826 -6.846 534 1H2 G 210 1H2 G 210 6.427 12.163 -5.747 535 2H2 G 210 2H2 G 210 5.558 10.676 -6.055 536 1H5* A 211 1H5* A 211 7.848 3.643 -11.076 537 2H5* A 211 2H5* A 211 7.882 1.883 -11.185 538 H4* A 211 H4* A 211 6.603 2.043 -9.337 539 H3* A 211 H3* A 211 4.705 2.206 -11.632 540 1H2* A 211 1H2* A 211 3.567 3.708 -10.214 541 2HO* A 211 2HO* A 211 2.099 2.179 -9.101 542 H1* A 211 H1* A 211 4.613 2.065 -7.850 543 H8 A 211 H8 A 211 4.616 5.785 -8.777 544 1H6 A 211 1H6 A 211 1.629 6.626 -3.362 545 2H6 A 211 2H6 A 211 2.321 7.448 -4.741 546 H2 A 211 H2 A 211 2.240 2.264 -3.949 547 1H5* G 212 1H5* G 212 2.595 -2.040 -9.181 548 2H5* G 212 2H5* G 212 3.814 -0.884 -8.645 549 H4* G 212 H4* G 212 4.172 -3.875 -8.932 550 H3* G 212 H3* G 212 3.409 -2.196 -6.646 551 1H2* G 212 1H2* G 212 5.106 -2.954 -5.188 552 2HO* G 212 2HO* G 212 6.368 -4.656 -6.959 553 H1* G 212 H1* G 212 7.163 -2.669 -7.071 554 H8 G 212 H8 G 212 4.207 -0.507 -5.924 555 H1 G 212 H1 G 212 10.064 2.138 -5.159 556 1H2 G 212 1H2 G 212 11.498 0.869 -5.923 557 2H2 G 212 2H2 G 212 11.164 -0.682 -6.661 558 1H5* G 213 1H5* G 213 2.444 -6.745 -8.662 559 2H5* G 213 2H5* G 213 3.897 -5.778 -8.921 560 H4* G 213 H4* G 213 1.832 -6.350 -11.058 561 H3* G 213 H3* G 213 3.941 -8.093 -10.087 562 1H2* G 213 1H2* G 213 5.321 -8.127 -11.960 563 2HO* G 213 2HO* G 213 3.850 -8.484 -13.557 564 H1* G 213 H1* G 213 5.078 -5.437 -12.678 565 H8 G 213 H8 G 213 5.489 -6.911 -9.149 566 H1 G 213 H1 G 213 10.668 -3.851 -11.537 567 1H2 G 213 1H2 G 213 10.251 -3.172 -13.439 568 2H2 G 213 2H2 G 213 8.725 -3.398 -14.264 569 1H5* C 214 1H5* C 214 1.691 -9.946 -13.268 570 2H5* C 214 2H5* C 214 1.598 -11.699 -13.443 571 H4* C 214 H4* C 214 3.002 -10.825 -15.171 572 H3* C 214 H3* C 214 4.525 -12.308 -13.023 573 1H2* C 214 1H2* C 214 6.447 -12.179 -14.387 574 2HO* C 214 2HO* C 214 5.118 -12.700 -16.256 575 H1* C 214 H1* C 214 6.152 -9.523 -15.079 576 1H4 C 214 1H4 C 214 9.536 -8.938 -9.729 577 2H4 C 214 2H4 C 214 8.239 -9.644 -8.791 578 H5 C 214 H5 C 214 6.225 -10.447 -9.726 579 H6 C 214 H6 C 214 4.945 -10.771 -11.814 580 1H5* U 215 1H5* U 215 4.977 -14.682 -16.436 581 2H5* U 215 2H5* U 215 5.549 -16.319 -16.112 582 H4* U 215 H4* U 215 7.105 -14.245 -16.947 583 H3* U 215 H3* U 215 7.744 -16.837 -15.589 584 1H2* U 215 1H2* U 215 9.573 -15.823 -14.662 585 2HO* U 215 2HO* U 215 9.992 -15.379 -17.478 586 H1* U 215 H1* U 215 9.736 -13.349 -16.184 587 H3 U 215 H3 U 215 10.868 -11.579 -12.222 588 H5 U 215 H5 U 215 7.117 -13.270 -11.438 589 H6 U 215 H6 U 215 7.154 -14.165 -13.721 590 1H5* A 216 1H5* A 216 10.655 -17.698 -18.476 591 2H5* A 216 2H5* A 216 10.800 -19.447 -18.298 592 H4* A 216 H4* A 216 12.524 -17.888 -17.150 593 H3* A 216 H3* A 216 11.203 -20.173 -15.640 594 1H2* A 216 1H2* A 216 12.827 -19.835 -14.028 595 2HO* A 216 2HO* A 216 14.450 -18.363 -15.837 596 H1* A 216 H1* A 216 13.229 -17.036 -14.751 597 H8 A 216 H8 A 216 9.876 -18.362 -13.576 598 1H6 A 216 1H6 A 216 11.487 -16.239 -7.933 599 2H6 A 216 2H6 A 216 10.186 -16.949 -8.862 600 H2 A 216 H2 A 216 14.978 -15.773 -10.641 601 1H5* G 217 1H5* G 217 14.869 -21.001 -16.600 602 2H5* G 217 2H5* G 217 15.682 -22.563 -16.688 603 H4* G 217 H4* G 217 16.492 -21.617 -14.725 604 H3* G 217 H3* G 217 14.171 -23.401 -13.915 605 1H2* G 217 1H2* G 217 14.959 -23.175 -11.719 606 2HO* G 217 2HO* G 217 17.125 -23.650 -12.540 607 H1* G 217 H1* G 217 15.834 -20.454 -12.202 608 H8 G 217 H8 G 217 12.270 -21.604 -12.856 609 H1 G 217 H1 G 217 13.223 -18.849 -7.078 610 1H2 G 217 1H2 G 217 15.236 -18.498 -6.806 611 2H2 G 217 2H2 G 217 16.481 -18.890 -7.970 612 1H5* U 218 1H5* U 218 17.715 -25.524 -12.908 613 2H5* U 218 2H5* U 218 17.549 -27.269 -12.712 614 H4* U 218 H4* U 218 18.081 -26.351 -10.587 615 H3* U 218 H3* U 218 15.160 -27.124 -10.773 616 1H2* U 218 1H2* U 218 15.000 -26.764 -8.457 617 2HO* U 218 2HO* U 218 16.769 -27.483 -7.428 618 H1* U 218 H1* U 218 16.770 -24.492 -8.564 619 H3 U 218 H3 U 218 13.106 -22.510 -6.843 620 H5 U 218 H5 U 218 11.866 -23.656 -10.675 621 H6 U 218 H6 U 218 14.022 -24.800 -10.923 622 1H5* C 219 1H5* C 219 17.013 -29.357 -8.079 623 2H5* C 219 2H5* C 219 16.810 -31.106 -7.958 624 H4* C 219 H4* C 219 16.231 -30.460 -5.843 625 H3* C 219 H3* C 219 13.712 -30.571 -7.472 626 1H2* C 219 1H2* C 219 12.434 -29.873 -5.623 627 2HO* C 219 2HO* C 219 14.496 -29.747 -3.786 628 H1* C 219 H1* C 219 14.343 -27.924 -4.808 629 1H4 C 219 1H4 C 219 9.912 -24.396 -7.711 630 2H4 C 219 2H4 C 219 10.301 -25.135 -9.249 631 H5 C 219 H5 C 219 11.878 -26.873 -9.512 632 H6 C 219 H6 C 219 13.485 -28.346 -8.353 633 1H5* C 220 1H5* C 220 12.910 -33.632 -4.419 634 2H5* C 220 2H5* C 220 12.750 -35.172 -5.264 635 H4* C 220 H4* C 220 10.839 -35.134 -3.991 636 H3* C 220 H3* C 220 10.261 -34.202 -6.750 637 1H2* C 220 1H2* C 220 8.056 -33.534 -6.238 638 2HO* C 220 2HO* C 220 8.676 -34.784 -3.717 639 H1* C 220 H1* C 220 8.822 -32.245 -3.828 640 1H4 C 220 1H4 C 220 8.359 -27.330 -7.837 641 2H4 C 220 2H4 C 220 9.638 -27.985 -8.834 642 H5 C 220 H5 C 220 10.700 -30.054 -8.421 643 H6 C 220 H6 C 220 10.797 -32.023 -6.935 No H/Q in entry = 643 Start of MODEL 3 1 H MET 1 HN MET 1 5.037 -13.658 6.468 2 HA MET 1 HA MET 1 6.640 -12.752 5.291 3 1HB MET 1 2HB MET 1 7.451 -15.648 5.175 4 2HB MET 1 3HB MET 1 8.136 -14.629 3.924 5 1HG MET 1 2HG MET 1 9.733 -14.394 5.630 6 2HG MET 1 3HG MET 1 8.723 -12.991 5.919 7 1HE MET 1 2HE MET 1 10.658 -15.313 7.607 8 2HE MET 1 3HE MET 1 9.698 -16.216 8.804 9 3HE MET 1 1HE MET 1 9.612 -16.653 7.081 10 H GLN 2 HN GLN 2 4.233 -12.621 4.178 11 HA GLN 2 HA GLN 2 4.286 -13.817 1.572 12 1HB GLN 2 2HB GLN 2 2.290 -12.146 3.122 13 2HB GLN 2 3HB GLN 2 2.076 -12.397 1.401 14 1HG GLN 2 2HG GLN 2 2.267 -14.908 1.820 15 2HG GLN 2 3HG GLN 2 2.275 -14.567 3.539 16 1HE2 GLN 2 1HE2 GLN 2 0.448 -13.836 4.571 17 2HE2 GLN 2 2HE2 GLN 2 -1.136 -13.884 3.871 18 H LYS 3 HN LYS 3 4.113 -12.536 -0.439 19 HA LYS 3 HA LYS 3 4.647 -10.877 -1.802 20 1HB LYS 3 2HB LYS 3 3.902 -9.442 0.639 21 2HB LYS 3 3HB LYS 3 5.067 -8.560 -0.327 22 1HG LYS 3 2HG LYS 3 2.618 -9.832 -1.607 23 2HG LYS 3 3HG LYS 3 2.525 -8.250 -0.862 24 1HD LYS 3 2HD LYS 3 4.636 -7.689 -2.347 25 2HD LYS 3 3HD LYS 3 4.166 -9.103 -3.268 26 1HE LYS 3 2HE LYS 3 2.286 -6.772 -2.658 27 2HE LYS 3 3HE LYS 3 3.204 -6.921 -4.144 28 1HZ LYS 3 1HZ LYS 3 0.915 -7.839 -4.301 29 2HZ LYS 3 2HZ LYS 3 2.039 -8.964 -4.645 30 H GLY 4 HN GLY 4 6.600 -12.547 -1.500 31 1HA GLY 4 1HA GLY 4 8.935 -11.735 -0.194 32 2HA GLY 4 2HA GLY 4 8.827 -12.838 -1.552 33 H ASN 5 HN ASN 5 7.334 -10.447 -3.023 34 HA ASN 5 HA ASN 5 9.455 -9.687 -4.555 35 1HB ASN 5 2HB ASN 5 6.807 -9.383 -4.811 36 2HB ASN 5 3HB ASN 5 7.114 -7.800 -4.126 37 1HD2 ASN 5 2HD2 ASN 5 7.963 -6.424 -7.169 38 2HD2 ASN 5 1HD2 ASN 5 7.213 -6.313 -5.612 39 H PHE 6 HN PHE 6 8.344 -8.556 -1.411 40 HA PHE 6 HA PHE 6 9.255 -5.943 -1.420 41 1HB PHE 6 2HB PHE 6 8.468 -8.109 0.441 42 2HB PHE 6 3HB PHE 6 9.730 -7.119 1.148 43 HD1 PHE 6 HD2 PHE 6 8.985 -4.461 -0.027 44 HD2 PHE 6 HD1 PHE 6 6.599 -7.507 1.712 45 HE1 PHE 6 HE2 PHE 6 7.274 -2.746 0.627 46 HE2 PHE 6 HE1 PHE 6 4.887 -5.792 2.367 47 HZ PHE 6 HZ PHE 6 5.245 -3.431 1.816 48 H ARG 7 HN ARG 7 11.044 -8.874 -1.710 49 HA ARG 7 HA ARG 7 13.285 -8.271 -0.244 50 1HB ARG 7 2HB ARG 7 14.439 -9.906 -1.729 51 2HB ARG 7 3HB ARG 7 12.859 -10.495 -1.255 52 1HG ARG 7 2HG ARG 7 12.109 -9.230 -3.518 53 2HG ARG 7 3HG ARG 7 13.789 -9.497 -3.943 54 1HD ARG 7 2HD ARG 7 13.570 -11.838 -3.943 55 2HD ARG 7 3HD ARG 7 12.239 -11.824 -2.803 56 HE ARG 7 HE ARG 7 11.673 -10.580 -5.424 57 1HH1 ARG 7 2HH2 ARG 7 11.446 -13.492 -3.419 58 2HH1 ARG 7 1HH2 ARG 7 10.190 -14.204 -4.376 59 HH2 ARG 7 HH1 ARG 7 9.363 -13.025 -6.292 60 H ASN 8 HN ASN 8 11.953 -6.605 -2.898 61 HA ASN 8 HA ASN 8 14.095 -5.977 -4.455 62 1HB ASN 8 2HB ASN 8 12.820 -3.881 -5.004 63 2HB ASN 8 3HB ASN 8 11.781 -5.292 -4.998 64 1HD2 ASN 8 2HD2 ASN 8 10.512 -2.240 -3.001 65 2HD2 ASN 8 1HD2 ASN 8 11.388 -2.346 -4.492 66 H GLN 9 HN GLN 9 13.274 -5.040 -1.155 67 HA GLN 9 HA GLN 9 14.579 -2.620 -0.992 68 1HB GLN 9 2HB GLN 9 14.076 -4.785 1.090 69 2HB GLN 9 3HB GLN 9 14.751 -3.219 1.497 70 1HG GLN 9 2HG GLN 9 12.761 -2.059 0.709 71 2HG GLN 9 3HG GLN 9 12.124 -3.518 -0.023 72 1HE2 GLN 9 2HE2 GLN 9 11.257 -5.111 3.093 73 2HE2 GLN 9 1HE2 GLN 9 11.976 -5.430 1.549 74 H ARG 10 HN ARG 10 15.847 -5.747 -1.609 75 HA ARG 10 HA ARG 10 18.247 -5.548 -0.213 76 1HB ARG 10 2HB ARG 10 18.986 -7.412 -1.644 77 2HB ARG 10 3HB ARG 10 17.319 -7.675 -1.172 78 1HG ARG 10 2HG ARG 10 16.657 -6.521 -3.397 79 2HG ARG 10 3HG ARG 10 18.343 -6.656 -3.856 80 1HD ARG 10 2HD ARG 10 16.433 -8.943 -3.196 81 2HD ARG 10 3HD ARG 10 17.164 -8.595 -4.749 82 HE ARG 10 HE ARG 10 19.261 -9.431 -3.955 83 1HH1 ARG 10 2HH2 ARG 10 16.782 -9.517 -1.425 84 2HH1 ARG 10 1HH2 ARG 10 17.687 -10.579 -0.401 85 HH2 ARG 10 HH1 ARG 10 19.845 -11.340 -1.113 86 H LYS 11 HN LYS 11 17.024 -3.701 -2.783 87 HA LYS 11 HA LYS 11 19.747 -2.993 -3.624 88 1HB LYS 11 2HB LYS 11 18.700 -4.192 -5.440 89 2HB LYS 11 3HB LYS 11 17.248 -3.219 -5.322 90 1HG LYS 11 2HG LYS 11 18.240 -1.350 -6.306 91 2HG LYS 11 3HG LYS 11 19.839 -1.743 -5.707 92 1HD LYS 11 2HD LYS 11 19.952 -3.662 -7.338 93 2HD LYS 11 3HD LYS 11 18.381 -3.201 -7.962 94 1HE LYS 11 2HE LYS 11 19.487 -1.844 -9.414 95 2HE LYS 11 3HE LYS 11 19.805 -0.792 -8.050 96 1HZ LYS 11 1HZ LYS 11 21.641 -3.002 -8.190 97 2HZ LYS 11 2HZ LYS 11 21.716 -2.059 -9.514 98 H THR 12 HN THR 12 18.426 -1.914 -1.342 99 HA THR 12 HA THR 12 17.471 -0.027 -0.524 100 HB THR 12 HB THR 12 20.046 0.250 -1.082 101 HG1 THR 12 HG1 THR 12 18.073 2.387 -0.687 102 1HG2 THR 12 1HG2 THR 12 18.995 1.270 -3.485 103 2HG2 THR 12 2HG2 THR 12 19.304 2.727 -2.511 104 3HG2 THR 12 3HG2 THR 12 20.628 1.587 -2.852 105 H VAL 13 HN VAL 13 15.706 -0.910 -2.395 106 HA VAL 13 HA VAL 13 15.089 0.482 -4.576 107 HB VAL 13 HB VAL 13 12.674 0.212 -3.844 108 1HG1 VAL 13 3HG1 VAL 13 14.725 -1.811 -4.344 109 2HG1 VAL 13 1HG1 VAL 13 13.323 -2.461 -3.462 110 3HG1 VAL 13 2HG1 VAL 13 13.090 -1.645 -5.026 111 1HG2 VAL 13 1HG2 VAL 13 14.086 -0.723 -1.347 112 2HG2 VAL 13 2HG2 VAL 13 12.685 0.364 -1.512 113 3HG2 VAL 13 3HG2 VAL 13 12.497 -1.381 -1.806 114 H LYS 14 HN LYS 14 13.757 2.381 -5.074 115 HA LYS 14 HA LYS 14 14.229 4.482 -3.089 116 1HB LYS 14 2HB LYS 14 15.315 5.162 -5.004 117 2HB LYS 14 3HB LYS 14 14.161 4.401 -6.079 118 1HG LYS 14 2HG LYS 14 12.549 6.136 -5.787 119 2HG LYS 14 3HG LYS 14 13.294 6.709 -4.308 120 1HD LYS 14 2HD LYS 14 13.914 8.309 -5.975 121 2HD LYS 14 3HD LYS 14 15.351 7.340 -5.719 122 1HE LYS 14 2HE LYS 14 14.043 5.903 -7.713 123 2HE LYS 14 3HE LYS 14 13.624 7.553 -8.127 124 1HZ LYS 14 1HZ LYS 14 15.662 7.474 -9.113 125 2HZ LYS 14 2HZ LYS 14 16.235 7.824 -7.629 126 H CYS 15 HN CYS 15 12.549 5.776 -2.323 127 HA CYS 15 HA CYS 15 9.964 4.571 -2.546 128 1HB CYS 15 2HB CYS 15 10.803 5.424 -0.388 129 2HB CYS 15 3HB CYS 15 10.857 7.051 -1.037 130 H PHE 16 HN PHE 16 8.752 4.988 -4.368 131 HA PHE 16 HA PHE 16 9.242 7.289 -5.957 132 1HB PHE 16 2HB PHE 16 7.225 4.993 -5.810 133 2HB PHE 16 3HB PHE 16 6.970 6.284 -6.968 134 HD1 PHE 16 HD1 PHE 16 9.752 6.824 -7.841 135 HD2 PHE 16 HD2 PHE 16 7.758 3.147 -7.125 136 HE1 PHE 16 HE1 PHE 16 11.286 5.675 -9.462 137 HE2 PHE 16 HE2 PHE 16 9.292 1.999 -8.745 138 HZ PHE 16 HZ PHE 16 11.038 3.277 -9.894 139 H ASN 17 HN ASN 17 7.759 7.030 -2.989 140 HA ASN 17 HA ASN 17 5.517 8.705 -3.638 141 1HB ASN 17 2HB ASN 17 5.698 6.777 -1.802 142 2HB ASN 17 3HB ASN 17 6.420 8.032 -0.814 143 1HD2 ASN 17 2HD2 ASN 17 3.140 8.627 0.282 144 2HD2 ASN 17 1HD2 ASN 17 4.678 7.903 0.615 145 H CYS 18 HN CYS 18 8.165 8.779 -1.122 146 HA CYS 18 HA CYS 18 8.000 11.636 -1.004 147 1HB CYS 18 2HB CYS 18 9.769 11.416 0.724 148 2HB CYS 18 3HB CYS 18 8.351 10.444 1.063 149 H GLY 19 HN GLY 19 10.279 9.068 -2.144 150 1HA GLY 19 1HA GLY 19 11.484 9.408 -4.172 151 2HA GLY 19 2HA GLY 19 11.615 11.116 -3.798 152 H LYS 20 HN LYS 20 12.037 8.570 -1.323 153 HA LYS 20 HA LYS 20 14.834 9.411 -1.111 154 1HB LYS 20 2HB LYS 20 12.784 9.191 0.795 155 2HB LYS 20 3HB LYS 20 13.828 7.817 1.100 156 1HG LYS 20 2HG LYS 20 15.780 9.232 1.352 157 2HG LYS 20 3HG LYS 20 14.939 10.627 0.708 158 1HD LYS 20 2HD LYS 20 14.416 11.189 2.844 159 2HD LYS 20 3HD LYS 20 13.317 9.824 2.862 160 1HE LYS 20 2HE LYS 20 14.705 8.554 4.179 161 2HE LYS 20 3HE LYS 20 16.147 9.053 3.317 162 1HZ LYS 20 1HZ LYS 20 16.229 11.064 4.578 163 2HZ LYS 20 2HZ LYS 20 14.737 10.861 5.199 164 H GLU 21 HN GLU 21 15.960 7.284 0.227 165 HA GLU 21 HA GLU 21 15.419 5.021 -1.519 166 1HB GLU 21 2HB GLU 21 17.828 6.665 -1.452 167 2HB GLU 21 3HB GLU 21 18.214 5.012 -1.015 168 1HG GLU 21 2HG GLU 21 17.393 4.138 -3.077 169 2HG GLU 21 3HG GLU 21 16.446 5.572 -3.419 170 HE2 GLU 21 HE2 GLU 21 17.640 5.667 -5.438 171 H GLY 22 HN GLY 22 15.297 3.076 -0.436 172 1HA GLY 22 1HA GLY 22 16.462 1.745 1.331 173 2HA GLY 22 2HA GLY 22 16.149 3.100 2.397 174 H HIS 23 HN HIS 23 13.556 3.070 0.278 175 HA HIS 23 HA HIS 23 12.077 0.890 1.258 176 1HB HIS 23 2HB HIS 23 10.621 1.864 2.810 177 2HB HIS 23 3HB HIS 23 12.220 2.376 3.310 178 HD1 HIS 23 HD1 HIS 23 12.815 4.909 3.087 179 HD2 HIS 23 HD2 HIS 23 8.925 3.930 1.860 180 HE1 HIS 23 HE1 HIS 23 11.562 7.119 2.854 181 H ILE 24 HN ILE 24 9.851 0.890 0.356 182 HA ILE 24 HA ILE 24 9.739 2.671 -1.972 183 HB ILE 24 HB ILE 24 8.493 0.970 -3.084 184 1HG1 ILE 24 2HG1 ILE 24 8.684 -0.816 -0.654 185 2HG1 ILE 24 3HG1 ILE 24 7.304 0.226 -0.934 186 1HG2 ILE 24 2HG2 ILE 24 11.109 0.828 -2.638 187 2HG2 ILE 24 3HG2 ILE 24 10.635 -0.694 -1.846 188 3HG2 ILE 24 1HG2 ILE 24 10.234 -0.419 -3.558 189 1HD1 ILE 24 3HD1 ILE 24 8.293 -1.642 -3.115 190 2HD1 ILE 24 1HD1 ILE 24 7.193 -2.215 -1.837 191 3HD1 ILE 24 2HD1 ILE 24 6.682 -0.906 -2.929 192 H ALA 25 HN ALA 25 7.425 3.199 -2.694 193 HA ALA 25 HA ALA 25 6.170 4.684 -0.779 194 1HB ALA 25 1HB ALA 25 5.320 3.456 -3.402 195 2HB ALA 25 2HB ALA 25 4.140 4.353 -2.416 196 3HB ALA 25 3HB ALA 25 5.614 5.164 -2.996 197 H LYS 26 HN LYS 26 5.794 1.216 -1.576 198 HA LYS 26 HA LYS 26 3.430 0.780 -0.163 199 1HB LYS 26 2HB LYS 26 5.734 -1.093 -0.783 200 2HB LYS 26 3HB LYS 26 4.172 -1.599 -0.176 201 1HG LYS 26 2HG LYS 26 4.136 0.184 -2.589 202 2HG LYS 26 3HG LYS 26 4.759 -1.436 -2.835 203 1HD LYS 26 2HD LYS 26 2.426 -1.769 -1.242 204 2HD LYS 26 3HD LYS 26 1.994 -0.565 -2.440 205 1HE LYS 26 2HE LYS 26 3.148 -2.229 -4.152 206 2HE LYS 26 3HE LYS 26 2.927 -3.416 -2.882 207 1HZ LYS 26 1HZ LYS 26 0.505 -2.123 -3.055 208 2HZ LYS 26 2HZ LYS 26 0.956 -2.291 -4.610 209 H ASN 27 HN ASN 27 6.898 0.687 0.845 210 HA ASN 27 HA ASN 27 6.040 0.144 3.539 211 1HB ASN 27 2HB ASN 27 8.835 0.557 2.350 212 2HB ASN 27 3HB ASN 27 8.522 0.063 4.001 213 1HD2 ASN 27 2HD2 ASN 27 9.097 -2.764 1.409 214 2HD2 ASN 27 1HD2 ASN 27 9.784 -1.178 1.518 215 H CYS 28 HN CYS 28 5.811 2.796 1.759 216 HA CYS 28 HA CYS 28 7.373 4.625 3.344 217 1HB CYS 28 2HB CYS 28 7.110 4.938 0.889 218 2HB CYS 28 3HB CYS 28 5.391 5.194 1.116 219 H ARG 29 HN ARG 29 6.549 5.858 5.045 220 HA ARG 29 HA ARG 29 4.038 5.060 6.050 221 1HB ARG 29 2HB ARG 29 6.383 6.547 6.978 222 2HB ARG 29 3HB ARG 29 4.919 7.388 7.448 223 1HG ARG 29 2HG ARG 29 4.135 4.911 8.149 224 2HG ARG 29 3HG ARG 29 5.863 4.631 8.232 225 1HD ARG 29 2HD ARG 29 5.122 5.344 10.440 226 2HD ARG 29 3HD ARG 29 6.077 6.644 9.755 227 HE ARG 29 HE ARG 29 4.162 7.992 9.691 228 1HH1 ARG 29 2HH2 ARG 29 3.171 4.615 10.108 229 2HH1 ARG 29 1HH2 ARG 29 1.506 5.009 10.380 230 HH2 ARG 29 HH1 ARG 29 0.820 7.306 10.343 231 H ALA 30 HN ALA 30 5.273 7.680 4.039 232 HA ALA 30 HA ALA 30 3.283 9.590 4.570 233 1HB ALA 30 2HB ALA 30 5.034 9.083 2.130 234 2HB ALA 30 3HB ALA 30 4.071 10.555 2.404 235 3HB ALA 30 1HB ALA 30 5.408 10.149 3.507 236 HA PRO 31 HA PRO 31 -0.069 7.983 2.359 237 1HB PRO 31 2HB PRO 31 -1.460 10.250 1.730 238 2HB PRO 31 3HB PRO 31 -1.522 9.495 3.310 239 1HG PRO 31 2HG PRO 31 -0.102 11.953 2.486 240 2HG PRO 31 3HG PRO 31 -0.528 11.421 4.099 241 1HD PRO 31 2HD PRO 31 2.065 11.298 2.881 242 2HD PRO 31 3HD PRO 31 1.613 10.660 4.450 243 H ARG 32 HN ARG 32 -1.139 7.644 0.315 244 HA ARG 32 HA ARG 32 0.674 7.612 -1.709 245 1HB ARG 32 2HB ARG 32 -2.172 7.064 -1.355 246 2HB ARG 32 3HB ARG 32 -1.915 7.816 -2.916 247 1HG ARG 32 2HG ARG 32 -1.458 5.653 -3.562 248 2HG ARG 32 3HG ARG 32 0.146 6.050 -2.981 249 1HD ARG 32 2HD ARG 32 -1.467 5.208 -0.720 250 2HD ARG 32 3HD ARG 32 -1.636 4.019 -1.997 251 HE ARG 32 HE ARG 32 1.052 4.355 -2.019 252 1HH1 ARG 32 2HH2 ARG 32 -1.158 3.958 0.721 253 2HH1 ARG 32 1HH2 ARG 32 0.031 3.204 1.731 254 HH2 ARG 32 HH1 ARG 32 2.246 2.865 0.882 255 H LYS 33 HN LYS 33 1.697 9.419 -2.548 256 HA LYS 33 HA LYS 33 -0.048 11.601 -3.428 257 1HB LYS 33 2HB LYS 33 2.055 11.708 -1.408 258 2HB LYS 33 3HB LYS 33 2.368 12.814 -2.730 259 1HG LYS 33 2HG LYS 33 0.291 13.964 -2.425 260 2HG LYS 33 3HG LYS 33 -0.396 12.660 -1.476 261 1HD LYS 33 2HD LYS 33 0.171 14.326 0.131 262 2HD LYS 33 3HD LYS 33 1.448 13.136 0.271 263 1HE LYS 33 2HE LYS 33 3.019 14.677 -0.283 264 2HE LYS 33 3HE LYS 33 2.190 15.043 -1.784 265 1HZ LYS 33 1HZ LYS 33 2.296 16.629 0.520 266 2HZ LYS 33 2HZ LYS 33 1.526 16.970 -0.874 267 H LYS 34 HN LYS 34 1.475 13.134 -4.915 268 HA LYS 34 HA LYS 34 3.284 11.480 -6.474 269 1HB LYS 34 2HB LYS 34 0.635 11.645 -7.244 270 2HB LYS 34 3HB LYS 34 1.377 12.926 -8.179 271 1HG LYS 34 2HG LYS 34 2.187 11.369 -9.611 272 2HG LYS 34 3HG LYS 34 3.202 10.749 -8.324 273 1HD LYS 34 2HD LYS 34 2.006 8.825 -8.387 274 2HD LYS 34 3HD LYS 34 0.632 9.710 -7.755 275 1HE LYS 34 2HE LYS 34 -0.320 10.039 -9.894 276 2HE LYS 34 3HE LYS 34 1.212 9.851 -10.722 277 1HZ LYS 34 1HZ LYS 34 -0.596 7.775 -9.759 278 2HZ LYS 34 2HZ LYS 34 0.333 7.786 -11.097 279 H GLY 35 HN GLY 35 4.183 13.357 -4.781 280 1HA GLY 35 1HA GLY 35 4.343 15.909 -6.206 281 2HA GLY 35 2HA GLY 35 4.873 15.567 -4.572 282 H CYS 36 HN CYS 36 6.084 16.480 -7.435 283 HA CYS 36 HA CYS 36 8.062 14.644 -8.053 284 1HB CYS 36 2HB CYS 36 7.545 16.361 -9.626 285 2HB CYS 36 3HB CYS 36 7.874 17.636 -8.470 286 H TRP 37 HN TRP 37 9.813 13.987 -6.853 287 HA TRP 37 HA TRP 37 10.459 15.442 -4.452 288 1HB TRP 37 2HB TRP 37 12.229 13.245 -5.121 289 2HB TRP 37 3HB TRP 37 11.222 13.498 -3.709 290 HD1 TRP 37 HD1 TRP 37 8.468 12.776 -4.159 291 HE1 TRP 37 HE1 TRP 37 7.442 10.705 -5.433 292 HE3 TRP 37 HE3 TRP 37 12.622 11.737 -6.903 293 HZ2 TRP 37 HZ2 TRP 37 8.458 8.905 -7.399 294 HZ3 TRP 37 HZ3 TRP 37 12.521 9.806 -8.477 295 HH2 TRP 37 HH2 TRP 37 10.531 8.411 -8.748 296 H LYS 38 HN LYS 38 10.834 16.928 -6.907 297 HA LYS 38 HA LYS 38 13.742 17.236 -6.779 298 1HB LYS 38 2HB LYS 38 12.450 16.120 -8.961 299 2HB LYS 38 3HB LYS 38 12.598 17.804 -9.420 300 1HG LYS 38 2HG LYS 38 14.903 16.079 -8.395 301 2HG LYS 38 3HG LYS 38 14.593 16.421 -10.086 302 1HD LYS 38 2HD LYS 38 15.080 18.753 -9.830 303 2HD LYS 38 3HD LYS 38 14.923 18.686 -8.086 304 1HE LYS 38 2HE LYS 38 17.282 18.763 -8.497 305 2HE LYS 38 3HE LYS 38 16.948 17.096 -8.075 306 1HZ LYS 38 1HZ LYS 38 17.213 18.123 -10.851 307 2HZ LYS 38 2HZ LYS 38 18.321 17.220 -10.070 308 H CYS 39 HN CYS 39 10.566 18.643 -7.808 309 HA CYS 39 HA CYS 39 11.686 21.257 -7.112 310 1HB CYS 39 2HB CYS 39 9.780 22.164 -8.504 311 2HB CYS 39 3HB CYS 39 11.026 21.308 -9.389 312 H GLY 40 HN GLY 40 9.113 18.835 -6.614 313 1HA GLY 40 1HA GLY 40 8.028 18.592 -4.555 314 2HA GLY 40 2HA GLY 40 8.271 20.293 -4.209 315 H LYS 41 HN LYS 41 7.276 19.510 -7.481 316 HA LYS 41 HA LYS 41 4.702 20.740 -6.922 317 1HB LYS 41 2HB LYS 41 6.558 21.014 -8.978 318 2HB LYS 41 3HB LYS 41 5.284 20.055 -9.704 319 1HG LYS 41 2HG LYS 41 4.314 22.111 -10.054 320 2HG LYS 41 3HG LYS 41 3.737 21.883 -8.416 321 1HD LYS 41 2HD LYS 41 5.579 23.204 -7.501 322 2HD LYS 41 3HD LYS 41 6.382 23.264 -9.059 323 1HE LYS 41 2HE LYS 41 3.593 24.268 -9.151 324 2HE LYS 41 3HE LYS 41 4.620 25.189 -8.070 325 1HZ LYS 41 1HZ LYS 41 6.228 24.960 -10.190 326 2HZ LYS 41 2HZ LYS 41 4.794 24.939 -10.961 327 H GLU 42 HN GLU 42 2.827 19.614 -6.780 328 HA GLU 42 HA GLU 42 3.024 16.775 -7.126 329 1HB GLU 42 2HB GLU 42 0.821 16.708 -6.046 330 2HB GLU 42 3HB GLU 42 1.904 17.736 -5.130 331 1HG GLU 42 2HG GLU 42 0.930 19.744 -6.360 332 2HG GLU 42 3HG GLU 42 -0.237 18.665 -7.099 333 HE2 GLU 42 HE2 GLU 42 0.280 19.797 -3.503 334 H GLY 43 HN GLY 43 2.427 15.704 -8.962 335 1HA GLY 43 1HA GLY 43 0.343 15.617 -10.457 336 2HA GLY 43 2HA GLY 43 0.873 17.209 -10.960 337 H HIS 44 HN HIS 44 3.668 16.962 -11.039 338 HA HIS 44 HA HIS 44 3.930 15.029 -13.211 339 1HB HIS 44 2HB HIS 44 5.581 16.415 -14.147 340 2HB HIS 44 3HB HIS 44 4.299 17.494 -13.629 341 HD1 HIS 44 HD1 HIS 44 4.913 19.349 -12.015 342 HD2 HIS 44 HD2 HIS 44 7.913 16.438 -12.365 343 HE1 HIS 44 HE1 HIS 44 6.939 20.254 -10.754 344 H GLN 45 HN GLN 45 6.291 14.138 -13.427 345 HA GLN 45 HA GLN 45 7.142 13.415 -10.731 346 1HB GLN 45 2HB GLN 45 7.789 11.224 -11.596 347 2HB GLN 45 3HB GLN 45 6.114 11.529 -12.006 348 1HG GLN 45 2HG GLN 45 7.524 12.612 -14.185 349 2HG GLN 45 3HG GLN 45 8.437 11.170 -13.785 350 1HE2 GLN 45 2HE2 GLN 45 6.197 8.928 -15.156 351 2HE2 GLN 45 1HE2 GLN 45 7.762 9.294 -14.509 352 H MET 46 HN MET 46 9.529 12.828 -10.566 353 HA MET 46 HA MET 46 11.072 14.901 -11.391 354 1HB MET 46 2HB MET 46 11.581 13.160 -9.599 355 2HB MET 46 3HB MET 46 11.969 12.012 -10.864 356 1HG MET 46 2HG MET 46 13.594 14.033 -11.664 357 2HG MET 46 3HG MET 46 13.510 14.436 -9.960 358 1HE MET 46 1HE MET 46 14.788 13.801 -8.458 359 2HE MET 46 2HE MET 46 14.364 12.151 -7.943 360 3HE MET 46 3HE MET 46 16.030 12.525 -8.446 361 H LYS 47 HN LYS 47 10.479 11.745 -13.012 362 HA LYS 47 HA LYS 47 12.463 11.917 -14.937 363 1HB LYS 47 2HB LYS 47 10.841 9.990 -14.280 364 2HB LYS 47 3HB LYS 47 9.758 10.695 -15.464 365 1HG LYS 47 2HG LYS 47 12.323 10.621 -16.714 366 2HG LYS 47 3HG LYS 47 12.148 9.079 -15.899 367 1HD LYS 47 2HD LYS 47 9.911 10.215 -17.623 368 2HD LYS 47 3HD LYS 47 11.221 9.289 -18.329 369 1HE LYS 47 2HE LYS 47 10.451 7.706 -16.149 370 2HE LYS 47 3HE LYS 47 8.925 8.358 -16.713 371 1HZ LYS 47 1HZ LYS 47 10.037 7.654 -19.036 372 2HZ LYS 47 2HZ LYS 47 10.732 6.534 -18.078 373 H ASP 48 HN ASP 48 9.209 13.408 -14.740 374 HA ASP 48 HA ASP 48 9.810 14.707 -17.276 375 1HB ASP 48 2HB ASP 48 7.273 13.870 -15.891 376 2HB ASP 48 3HB ASP 48 7.200 15.332 -16.854 377 HD2 ASP 48 HD2 ASP 48 6.621 12.008 -18.576 378 H CYS 49 HN CYS 49 10.908 15.439 -14.589 379 HA CYS 49 HA CYS 49 9.600 17.334 -13.203 380 1HB CYS 49 2HB CYS 49 11.897 16.436 -12.733 381 2HB CYS 49 3HB CYS 49 12.534 17.511 -13.963 382 H THR 50 HN THR 50 8.517 19.154 -13.870 383 HA THR 50 HA THR 50 8.767 20.201 -16.457 384 HB THR 50 HB THR 50 7.294 22.005 -15.467 385 HG1 THR 50 HG1 THR 50 6.854 21.307 -13.058 386 1HG2 THR 50 3HG2 THR 50 6.735 19.110 -14.661 387 2HG2 THR 50 1HG2 THR 50 5.565 20.422 -14.379 388 3HG2 THR 50 2HG2 THR 50 6.049 20.003 -16.039 389 H GLU 51 HN GLU 51 10.878 20.460 -13.785 390 HA GLU 51 HA GLU 51 12.685 21.972 -15.135 391 1HB GLU 51 2HB GLU 51 10.624 23.621 -13.806 392 2HB GLU 51 3HB GLU 51 12.252 24.042 -13.313 393 1HG GLU 51 2HG GLU 51 12.823 24.851 -15.392 394 2HG GLU 51 3HG GLU 51 11.946 23.594 -16.241 395 HE2 GLU 51 HE2 GLU 51 11.510 25.617 -17.364 396 H ARG 52 HN ARG 52 11.858 22.938 -11.790 397 HA ARG 52 HA ARG 52 12.900 20.919 -10.374 398 1HB ARG 52 2HB ARG 52 15.269 21.810 -9.863 399 2HB ARG 52 3HB ARG 52 15.061 21.029 -11.418 400 1HG ARG 52 2HG ARG 52 14.388 23.788 -11.801 401 2HG ARG 52 3HG ARG 52 15.862 23.764 -10.852 402 1HD ARG 52 2HD ARG 52 17.016 22.414 -12.515 403 2HD ARG 52 3HD ARG 52 15.527 22.085 -13.379 404 HE ARG 52 HE ARG 52 15.861 24.917 -13.269 405 1HH1 ARG 52 2HH2 ARG 52 17.392 22.100 -14.777 406 2HH1 ARG 52 1HH2 ARG 52 17.989 22.995 -16.133 407 HH2 ARG 52 HH1 ARG 52 17.541 25.346 -16.278 408 H GLN 53 HN GLN 53 14.063 21.931 -8.171 409 HA GLN 53 HA GLN 53 13.618 24.548 -7.527 410 1HB GLN 53 2HB GLN 53 11.149 23.473 -7.887 411 2HB GLN 53 3HB GLN 53 11.387 23.045 -6.205 412 1HG GLN 53 2HG GLN 53 10.732 25.155 -5.681 413 2HG GLN 53 3HG GLN 53 12.273 25.705 -6.311 414 1HE2 GLN 53 2HE2 GLN 53 8.796 26.003 -8.540 415 2HE2 GLN 53 1HE2 GLN 53 8.950 24.896 -7.217 416 H ALA 54 HN ALA 54 14.317 24.985 -5.364 417 HA ALA 54 HA ALA 54 15.672 22.746 -4.156 418 1HB ALA 54 1HB ALA 54 16.283 25.383 -4.483 419 2HB ALA 54 2HB ALA 54 15.637 25.405 -2.825 420 3HB ALA 54 3HB ALA 54 17.009 24.346 -3.231 421 H ASN 55 HN ASN 55 14.639 21.405 -2.770 422 HA ASN 55 HA ASN 55 13.262 22.474 -0.578 423 1HB ASN 55 2HB ASN 55 11.588 22.418 -2.705 424 2HB ASN 55 3HB ASN 55 11.440 20.732 -2.251 425 1HD2 ASN 55 2HD2 ASN 55 9.046 21.398 0.139 426 2HD2 ASN 55 1HD2 ASN 55 9.682 20.412 -1.135 427 1H5* G 201 1H5* G 201 0.016 -18.734 -9.015 428 2H5* G 201 2H5* G 201 0.270 -17.360 -7.938 429 H4* G 201 H4* G 201 -0.404 -18.995 -6.470 430 H3* G 201 H3* G 201 2.576 -18.849 -6.515 431 1H2* G 201 1H2* G 201 2.795 -20.697 -5.063 432 2HO* G 201 2HO* G 201 0.774 -21.454 -4.052 433 H1* G 201 H1* G 201 0.927 -22.287 -6.412 434 H8 G 201 H8 G 201 3.435 -20.023 -8.219 435 H1 G 201 H1 G 201 5.049 -26.283 -7.924 436 1H2 G 201 1H2 G 201 3.648 -27.304 -6.807 437 2H2 G 201 2H2 G 201 2.245 -26.573 -6.062 438 1H5* G 202 1H5* G 202 1.746 -18.793 -2.400 439 2H5* G 202 2H5* G 202 2.345 -17.305 -1.667 440 H4* G 202 H4* G 202 3.274 -18.920 -0.316 441 H3* G 202 H3* G 202 5.248 -18.036 -2.367 442 1H2* G 202 1H2* G 202 6.844 -19.642 -1.692 443 2HO* G 202 2HO* G 202 6.723 -20.249 0.407 444 H1* G 202 H1* G 202 4.994 -21.755 -1.591 445 H8 G 202 H8 G 202 4.981 -19.116 -4.365 446 H1 G 202 H1 G 202 7.861 -24.714 -5.871 447 1H2 G 202 1H2 G 202 7.893 -25.940 -4.214 448 2H2 G 202 2H2 G 202 7.236 -25.515 -2.649 449 1H5* A 203 1H5* A 203 7.586 -18.587 1.183 450 2H5* A 203 2H5* A 203 8.252 -16.994 1.545 451 H4* A 203 H4* A 203 10.027 -18.564 1.683 452 H3* A 203 H3* A 203 10.115 -16.647 -0.564 453 1H2* A 203 1H2* A 203 11.763 -17.754 -1.765 454 2HO* A 203 2HO* A 203 13.334 -18.748 -0.561 455 H1* A 203 H1* A 203 10.937 -20.394 -0.985 456 H8 A 203 H8 A 203 8.519 -17.858 -2.477 457 1H6 A 203 1H6 A 203 9.482 -20.802 -7.895 458 2H6 A 203 2H6 A 203 8.549 -19.549 -7.109 459 H2 A 203 H2 A 203 12.212 -22.552 -4.857 460 1H5* C 204 1H5* C 204 14.136 -16.764 0.849 461 2H5* C 204 2H5* C 204 15.007 -15.280 0.462 462 H4* C 204 H4* C 204 15.856 -17.172 -0.814 463 H3* C 204 H3* C 204 14.435 -15.077 -2.488 464 1H2* C 204 1H2* C 204 15.403 -16.107 -4.363 465 2HO* C 204 2HO* C 204 17.464 -16.167 -3.275 466 H1* C 204 H1* C 204 15.096 -18.740 -3.370 467 1H4 C 204 1H4 C 204 10.154 -18.207 -7.343 468 2H4 C 204 2H4 C 204 9.431 -16.988 -6.318 469 H5 C 204 H5 C 204 10.452 -16.134 -4.368 470 H6 C 204 H6 C 204 12.441 -16.240 -2.908 471 1H5* U 205 1H5* U 205 18.648 -14.669 -2.442 472 2H5* U 205 2H5* U 205 19.522 -13.197 -2.862 473 H4* U 205 H4* U 205 20.054 -14.991 -4.405 474 H3* U 205 H3* U 205 18.698 -12.548 -5.429 475 1H2* U 205 1H2* U 205 18.194 -13.463 -7.475 476 2HO* U 205 2HO* U 205 19.755 -15.003 -8.322 477 H1* U 205 H1* U 205 18.276 -16.235 -6.574 478 H3 U 205 H3 U 205 14.319 -16.294 -8.735 479 H5 U 205 H5 U 205 13.670 -13.584 -5.609 480 H6 U 205 H6 U 205 16.052 -13.791 -5.066 481 1H5* A 206 1H5* A 206 21.322 -12.286 -8.272 482 2H5* A 206 2H5* A 206 21.668 -10.590 -8.607 483 H4* A 206 H4* A 206 20.105 -11.771 -10.208 484 H3* A 206 H3* A 206 19.079 -9.255 -8.841 485 1H2* A 206 1H2* A 206 17.401 -9.311 -10.409 486 2HO* A 206 2HO* A 206 19.201 -9.132 -11.965 487 H1* A 206 H1* A 206 17.763 -12.133 -11.075 488 H8 A 206 H8 A 206 16.754 -11.017 -7.602 489 1H6 A 206 1H6 A 206 10.885 -12.181 -9.378 490 2H6 A 206 2H6 A 206 11.895 -11.746 -8.016 491 H2 A 206 H2 A 206 13.524 -12.621 -12.925 492 1H5* G 207 1H5* G 207 20.392 -7.637 -12.530 493 2H5* G 207 2H5* G 207 20.186 -5.887 -12.564 494 H4* G 207 H4* G 207 18.375 -7.269 -13.664 495 H3* G 207 H3* G 207 17.515 -5.361 -11.456 496 1H2* G 207 1H2* G 207 15.390 -5.614 -12.339 497 2HO* G 207 2HO* G 207 15.245 -5.625 -14.562 498 H1* G 207 H1* G 207 15.924 -8.234 -13.464 499 H8 G 207 H8 G 207 16.404 -7.536 -9.768 500 H1 G 207 H1 G 207 10.602 -9.936 -11.331 501 1H2 G 207 1H2 G 207 10.421 -10.021 -13.383 502 2H2 G 207 2H2 G 207 11.658 -9.516 -14.513 503 1H5* C 208 1H5* C 208 18.157 -2.171 -15.013 504 2H5* C 208 2H5* C 208 17.541 -0.657 -14.353 505 H4* C 208 H4* C 208 16.123 -1.744 -16.121 506 H3* C 208 H3* C 208 15.092 -0.853 -13.470 507 1H2* C 208 1H2* C 208 12.948 -1.732 -13.860 508 2HO* C 208 2HO* C 208 12.344 -2.097 -16.018 509 H1* C 208 H1* C 208 13.925 -4.135 -15.027 510 1H4 C 208 1H4 C 208 12.356 -5.984 -9.141 511 2H4 C 208 2H4 C 208 13.636 -4.998 -8.469 512 H5 C 208 H5 C 208 15.017 -3.578 -9.755 513 H6 C 208 H6 C 208 15.517 -2.747 -12.026 514 1H5* G 209 1H5* G 209 12.353 -0.106 -14.946 515 2H5* G 209 2H5* G 209 12.195 0.749 -16.480 516 H4* G 209 H4* G 209 10.235 1.683 -15.909 517 H3* G 209 H3* G 209 11.568 2.369 -13.372 518 1H2* G 209 1H2* G 209 9.647 2.202 -12.030 519 2HO* G 209 2HO* G 209 8.350 3.275 -13.599 520 H1* G 209 H1* G 209 8.714 -0.188 -13.063 521 H8 G 209 H8 G 209 12.390 0.781 -12.486 522 H1 G 209 H1 G 209 9.956 -3.577 -8.367 523 1H2 G 209 1H2 G 209 7.977 -3.930 -8.829 524 2H2 G 209 2H2 G 209 7.107 -3.161 -10.137 525 1H5* G 210 1H5* G 210 10.045 7.031 -12.917 526 2H5* G 210 2H5* G 210 10.588 6.758 -11.262 527 H4* G 210 H4* G 210 8.395 5.111 -11.422 528 H3* G 210 H3* G 210 8.029 6.864 -13.619 529 1H2* G 210 1H2* G 210 7.043 8.659 -12.624 530 2HO* G 210 2HO* G 210 5.211 7.280 -13.010 531 H1* G 210 H1* G 210 6.697 7.610 -9.909 532 H8 G 210 H8 G 210 9.822 8.919 -11.712 533 H1 G 210 H1 G 210 7.397 12.810 -7.144 534 1H2 G 210 1H2 G 210 5.674 11.979 -6.373 535 2H2 G 210 2H2 G 210 4.988 10.455 -6.890 536 1H5* A 211 1H5* A 211 7.984 3.263 -10.417 537 2H5* A 211 2H5* A 211 7.652 1.681 -11.123 538 H4* A 211 H4* A 211 6.656 1.582 -9.024 539 H3* A 211 H3* A 211 4.720 1.970 -11.220 540 1H2* A 211 1H2* A 211 3.654 3.457 -9.702 541 2HO* A 211 2HO* A 211 2.863 0.909 -8.682 542 H1* A 211 H1* A 211 4.390 1.585 -7.411 543 H8 A 211 H8 A 211 5.011 5.280 -8.237 544 1H6 A 211 1H6 A 211 2.040 6.457 -2.877 545 2H6 A 211 2H6 A 211 2.885 7.194 -4.221 546 H2 A 211 H2 A 211 2.002 2.066 -3.552 547 1H5* G 212 1H5* G 212 3.134 -2.640 -8.726 548 2H5* G 212 2H5* G 212 4.058 -1.155 -8.511 549 H4* G 212 H4* G 212 5.511 -3.695 -9.145 550 H3* G 212 H3* G 212 3.895 -3.416 -6.768 551 1H2* G 212 1H2* G 212 5.480 -2.771 -5.273 552 2HO* G 212 2HO* G 212 7.104 -4.314 -5.038 553 H1* G 212 H1* G 212 7.720 -2.490 -7.159 554 H8 G 212 H8 G 212 4.619 -0.407 -6.243 555 H1 G 212 H1 G 212 10.333 2.340 -4.946 556 1H2 G 212 1H2 G 212 11.853 1.060 -5.492 557 2H2 G 212 2H2 G 212 11.616 -0.523 -6.197 558 1H5* G 213 1H5* G 213 2.491 -4.776 -8.540 559 2H5* G 213 2H5* G 213 1.420 -6.106 -8.985 560 H4* G 213 H4* G 213 2.629 -5.312 -10.922 561 H3* G 213 H3* G 213 3.506 -8.064 -9.995 562 1H2* G 213 1H2* G 213 4.907 -8.099 -11.794 563 2HO* G 213 2HO* G 213 3.638 -6.688 -13.659 564 H1* G 213 H1* G 213 5.049 -5.437 -12.601 565 H8 G 213 H8 G 213 5.291 -6.504 -8.928 566 H1 G 213 H1 G 213 10.932 -5.233 -11.836 567 1H2 G 213 1H2 G 213 10.599 -4.803 -13.825 568 2H2 G 213 2H2 G 213 9.027 -4.787 -14.591 569 1H5* C 214 1H5* C 214 1.923 -9.233 -13.717 570 2H5* C 214 2H5* C 214 1.981 -10.996 -13.675 571 H4* C 214 H4* C 214 3.826 -9.666 -14.925 572 H3* C 214 H3* C 214 4.711 -11.832 -12.981 573 1H2* C 214 1H2* C 214 6.584 -11.906 -14.373 574 2HO* C 214 2HO* C 214 5.445 -10.428 -16.453 575 H1* C 214 H1* C 214 6.782 -9.262 -15.005 576 1H4 C 214 1H4 C 214 9.901 -9.232 -9.467 577 2H4 C 214 2H4 C 214 8.457 -9.723 -8.610 578 H5 C 214 H5 C 214 6.394 -10.183 -9.663 579 H6 C 214 H6 C 214 5.196 -10.286 -11.821 580 1H5* U 215 1H5* U 215 5.039 -13.906 -16.576 581 2H5* U 215 2H5* U 215 5.341 -15.609 -16.231 582 H4* U 215 H4* U 215 7.239 -13.809 -16.954 583 H3* U 215 H3* U 215 7.411 -16.426 -15.497 584 1H2* U 215 1H2* U 215 9.356 -15.716 -14.543 585 2HO* U 215 2HO* U 215 10.701 -16.331 -16.129 586 H1* U 215 H1* U 215 9.831 -13.226 -15.979 587 H3 U 215 H3 U 215 11.146 -11.818 -11.920 588 H5 U 215 H5 U 215 7.155 -12.916 -11.283 589 H6 U 215 H6 U 215 7.115 -13.735 -13.594 590 1H5* A 216 1H5* A 216 10.688 -16.902 -18.582 591 2H5* A 216 2H5* A 216 10.643 -18.637 -18.896 592 H4* A 216 H4* A 216 12.811 -17.993 -18.047 593 H3* A 216 H3* A 216 11.125 -19.768 -16.322 594 1H2* A 216 1H2* A 216 12.662 -19.721 -14.591 595 2HO* A 216 2HO* A 216 14.809 -19.707 -15.183 596 H1* A 216 H1* A 216 13.614 -17.049 -15.253 597 H8 A 216 H8 A 216 9.986 -17.764 -14.401 598 1H6 A 216 1H6 A 216 11.413 -15.871 -8.628 599 2H6 A 216 2H6 A 216 10.101 -16.362 -9.675 600 H2 A 216 H2 A 216 15.165 -16.035 -11.004 601 1H5* G 217 1H5* G 217 14.643 -21.288 -16.967 602 2H5* G 217 2H5* G 217 15.142 -22.980 -16.937 603 H4* G 217 H4* G 217 15.956 -22.107 -14.938 604 H3* G 217 H3* G 217 13.269 -23.334 -14.212 605 1H2* G 217 1H2* G 217 14.091 -23.303 -12.012 606 2HO* G 217 2HO* G 217 16.414 -23.200 -11.760 607 H1* G 217 H1* G 217 15.480 -20.843 -12.344 608 H8 G 217 H8 G 217 11.889 -21.363 -13.535 609 H1 G 217 H1 G 217 12.491 -18.491 -7.767 610 1H2 G 217 1H2 G 217 14.478 -18.458 -7.219 611 2H2 G 217 2H2 G 217 15.787 -19.110 -8.178 612 1H5* U 218 1H5* U 218 16.222 -25.539 -12.930 613 2H5* U 218 2H5* U 218 16.190 -27.288 -12.708 614 H4* U 218 H4* U 218 16.544 -26.427 -10.569 615 H3* U 218 H3* U 218 13.589 -27.031 -10.869 616 1H2* U 218 1H2* U 218 13.365 -26.627 -8.580 617 2HO* U 218 2HO* U 218 15.155 -27.067 -7.273 618 H1* U 218 H1* U 218 15.302 -24.553 -8.478 619 H3 U 218 H3 U 218 11.674 -22.119 -7.427 620 H5 U 218 H5 U 218 10.863 -23.370 -11.340 621 H6 U 218 H6 U 218 12.911 -24.713 -11.230 622 1H5* C 219 1H5* C 219 14.795 -29.259 -7.152 623 2H5* C 219 2H5* C 219 14.113 -30.835 -7.553 624 H4* C 219 H4* C 219 13.264 -30.266 -5.431 625 H3* C 219 H3* C 219 11.271 -30.016 -7.643 626 1H2* C 219 1H2* C 219 9.602 -29.222 -6.178 627 2HO* C 219 2HO* C 219 9.788 -29.810 -4.054 628 H1* C 219 H1* C 219 11.381 -27.463 -4.830 629 1H4 C 219 1H4 C 219 8.282 -23.537 -8.765 630 2H4 C 219 2H4 C 219 9.006 -24.319 -10.152 631 H5 C 219 H5 C 219 10.421 -26.205 -10.008 632 H6 C 219 H6 C 219 11.501 -27.819 -8.484 633 1H5* C 220 1H5* C 220 9.459 -32.723 -5.012 634 2H5* C 220 2H5* C 220 9.139 -34.314 -5.703 635 H4* C 220 H4* C 220 7.058 -33.744 -4.942 636 H3* C 220 H3* C 220 7.263 -32.933 -7.814 637 1H2* C 220 1H2* C 220 5.103 -31.979 -7.780 638 2HO* C 220 2HO* C 220 4.705 -32.691 -5.075 639 H1* C 220 H1* C 220 5.494 -30.641 -5.340 640 1H4 C 220 1H4 C 220 6.895 -26.077 -9.542 641 2H4 C 220 2H4 C 220 8.273 -26.990 -10.118 642 H5 C 220 H5 C 220 8.842 -29.145 -9.336 643 H6 C 220 H6 C 220 8.225 -30.972 -7.794 No H/Q in entry = 643 Start of MODEL 4 1 H MET 1 HN MET 1 7.560 -12.828 4.631 2 HA MET 1 HA MET 1 4.953 -12.809 5.506 3 1HB MET 1 2HB MET 1 4.386 -10.390 5.317 4 2HB MET 1 3HB MET 1 5.590 -10.623 6.568 5 1HG MET 1 2HG MET 1 7.194 -9.449 5.418 6 2HG MET 1 3HG MET 1 6.781 -10.195 3.887 7 1HE MET 1 3HE MET 1 7.403 -7.460 5.439 8 2HE MET 1 1HE MET 1 7.053 -6.490 3.988 9 3HE MET 1 2HE MET 1 6.085 -6.263 5.465 10 H GLN 2 HN GLN 2 3.451 -11.729 3.683 11 HA GLN 2 HA GLN 2 4.252 -12.937 1.302 12 1HB GLN 2 2HB GLN 2 1.938 -11.211 2.172 13 2HB GLN 2 3HB GLN 2 2.168 -11.489 0.457 14 1HG GLN 2 2HG GLN 2 2.311 -14.009 1.023 15 2HG GLN 2 3HG GLN 2 1.748 -13.587 2.627 16 1HE2 GLN 2 2HE2 GLN 2 -1.334 -14.469 1.017 17 2HE2 GLN 2 1HE2 GLN 2 0.065 -15.141 1.787 18 H LYS 3 HN LYS 3 3.902 -11.509 -0.888 19 HA LYS 3 HA LYS 3 4.593 -9.851 -2.194 20 1HB LYS 3 2HB LYS 3 3.813 -8.383 -0.207 21 2HB LYS 3 3HB LYS 3 5.515 -8.229 0.176 22 1HG LYS 3 2HG LYS 3 6.010 -7.086 -1.832 23 2HG LYS 3 3HG LYS 3 4.614 -7.736 -2.670 24 1HD LYS 3 2HD LYS 3 3.625 -5.731 -2.226 25 2HD LYS 3 3HD LYS 3 3.401 -6.348 -0.601 26 1HE LYS 3 2HE LYS 3 6.114 -5.296 -0.912 27 2HE LYS 3 3HE LYS 3 4.939 -4.084 -1.385 28 1HZ LYS 3 1HZ LYS 3 4.156 -3.935 0.738 29 2HZ LYS 3 2HZ LYS 3 4.320 -5.521 1.068 30 H GLY 4 HN GLY 4 6.098 -11.870 -2.417 31 1HA GLY 4 1HA GLY 4 8.667 -11.898 -1.338 32 2HA GLY 4 2HA GLY 4 8.164 -12.643 -2.842 33 H ASN 5 HN ASN 5 7.224 -9.935 -3.930 34 HA ASN 5 HA ASN 5 9.502 -9.339 -5.332 35 1HB ASN 5 2HB ASN 5 6.820 -8.562 -5.390 36 2HB ASN 5 3HB ASN 5 7.615 -7.063 -4.952 37 1HD2 ASN 5 2HD2 ASN 5 8.326 -6.346 -8.252 38 2HD2 ASN 5 1HD2 ASN 5 7.728 -5.870 -6.698 39 H PHE 6 HN PHE 6 8.535 -8.535 -2.090 40 HA PHE 6 HA PHE 6 9.636 -6.010 -1.767 41 1HB PHE 6 2HB PHE 6 8.206 -7.046 -0.074 42 2HB PHE 6 3HB PHE 6 9.202 -8.486 -0.017 43 HD1 PHE 6 HD1 PHE 6 11.321 -8.486 1.215 44 HD2 PHE 6 HD2 PHE 6 8.812 -5.063 1.167 45 HE1 PHE 6 HE1 PHE 6 12.572 -7.541 3.175 46 HE2 PHE 6 HE2 PHE 6 10.064 -4.119 3.128 47 HZ PHE 6 HZ PHE 6 11.929 -5.369 4.108 48 H ARG 7 HN ARG 7 11.180 -9.019 -2.465 49 HA ARG 7 HA ARG 7 13.479 -8.786 -0.988 50 1HB ARG 7 2HB ARG 7 12.507 -10.347 -3.249 51 2HB ARG 7 3HB ARG 7 14.173 -9.892 -3.544 52 1HG ARG 7 2HG ARG 7 14.130 -10.657 -0.821 53 2HG ARG 7 3HG ARG 7 13.092 -11.825 -1.616 54 1HD ARG 7 2HD ARG 7 15.044 -12.906 -2.132 55 2HD ARG 7 3HD ARG 7 15.190 -11.712 -3.407 56 HE ARG 7 HE ARG 7 17.056 -10.907 -2.277 57 1HH1 ARG 7 2HH2 ARG 7 14.812 -12.217 0.131 58 2HH1 ARG 7 1HH2 ARG 7 15.840 -11.843 1.474 59 HH2 ARG 7 HH1 ARG 7 17.952 -10.782 1.076 60 H ASN 8 HN ASN 8 12.264 -6.779 -3.508 61 HA ASN 8 HA ASN 8 14.513 -6.106 -4.901 62 1HB ASN 8 2HB ASN 8 13.323 -3.960 -5.383 63 2HB ASN 8 3HB ASN 8 12.231 -5.325 -5.498 64 1HD2 ASN 8 2HD2 ASN 8 10.783 -2.444 -3.504 65 2HD2 ASN 8 1HD2 ASN 8 11.603 -2.563 -5.027 66 H GLN 9 HN GLN 9 13.271 -5.063 -1.695 67 HA GLN 9 HA GLN 9 14.887 -2.860 -1.342 68 1HB GLN 9 2HB GLN 9 13.720 -4.816 0.682 69 2HB GLN 9 3HB GLN 9 14.489 -3.309 1.134 70 1HG GLN 9 2HG GLN 9 12.826 -2.148 -0.485 71 2HG GLN 9 3HG GLN 9 11.967 -3.674 -0.536 72 1HE2 GLN 9 2HE2 GLN 9 10.141 -2.002 2.042 73 2HE2 GLN 9 1HE2 GLN 9 10.290 -2.175 0.324 74 H ARG 10 HN ARG 10 15.767 -6.134 -1.709 75 HA ARG 10 HA ARG 10 17.748 -6.472 0.127 76 1HB ARG 10 2HB ARG 10 18.672 -8.147 -1.444 77 2HB ARG 10 3HB ARG 10 16.922 -8.239 -1.434 78 1HG ARG 10 2HG ARG 10 17.006 -6.598 -3.464 79 2HG ARG 10 3HG ARG 10 18.712 -6.986 -3.550 80 1HD ARG 10 2HD ARG 10 18.330 -9.192 -4.216 81 2HD ARG 10 3HD ARG 10 16.806 -9.306 -3.359 82 HE ARG 10 HE ARG 10 15.733 -8.623 -5.310 83 1HH1 ARG 10 2HH2 ARG 10 19.068 -7.429 -5.415 84 2HH1 ARG 10 1HH2 ARG 10 18.908 -6.759 -7.004 85 HH2 ARG 10 HH1 ARG 10 16.815 -6.951 -8.156 86 H LYS 11 HN LYS 11 17.551 -4.211 -2.490 87 HA LYS 11 HA LYS 11 20.461 -3.830 -2.442 88 1HB LYS 11 2HB LYS 11 19.561 -4.369 -4.651 89 2HB LYS 11 3HB LYS 11 18.419 -3.045 -4.542 90 1HG LYS 11 2HG LYS 11 20.186 -1.389 -4.558 91 2HG LYS 11 3HG LYS 11 21.423 -2.600 -4.287 92 1HD LYS 11 2HD LYS 11 21.690 -2.652 -6.546 93 2HD LYS 11 3HD LYS 11 20.174 -3.529 -6.607 94 1HE LYS 11 2HE LYS 11 19.582 -1.780 -7.998 95 2HE LYS 11 3HE LYS 11 19.153 -1.027 -6.475 96 1HZ LYS 11 1HZ LYS 11 20.953 -0.027 -8.257 97 2HZ LYS 11 2HZ LYS 11 20.828 0.450 -6.705 98 H THR 12 HN THR 12 17.859 -1.541 -3.398 99 HA THR 12 HA THR 12 17.695 -0.104 -1.036 100 HB THR 12 HB THR 12 20.261 0.119 -1.821 101 HG1 THR 12 HG1 THR 12 18.333 2.164 -0.990 102 1HG2 THR 12 3HG2 THR 12 19.133 1.259 -4.050 103 2HG2 THR 12 1HG2 THR 12 19.238 2.683 -2.987 104 3HG2 THR 12 2HG2 THR 12 20.708 1.764 -3.394 105 H VAL 13 HN VAL 13 15.879 -0.986 -2.915 106 HA VAL 13 HA VAL 13 15.211 0.524 -5.020 107 HB VAL 13 HB VAL 13 12.822 0.099 -4.325 108 1HG1 VAL 13 1HG1 VAL 13 14.935 -1.761 -4.990 109 2HG1 VAL 13 2HG1 VAL 13 13.684 -2.566 -4.015 110 3HG1 VAL 13 3HG1 VAL 13 13.239 -1.736 -5.525 111 1HG2 VAL 13 1HG2 VAL 13 14.208 -1.091 -1.904 112 2HG2 VAL 13 2HG2 VAL 13 12.992 0.208 -1.931 113 3HG2 VAL 13 3HG2 VAL 13 12.530 -1.453 -2.373 114 H LYS 14 HN LYS 14 13.800 2.400 -5.372 115 HA LYS 14 HA LYS 14 14.192 4.362 -3.229 116 1HB LYS 14 2HB LYS 14 14.198 6.048 -4.912 117 2HB LYS 14 3HB LYS 14 15.280 4.778 -5.445 118 1HG LYS 14 2HG LYS 14 13.870 4.092 -7.169 119 2HG LYS 14 3HG LYS 14 12.412 4.545 -6.309 120 1HD LYS 14 2HD LYS 14 12.345 6.480 -7.482 121 2HD LYS 14 3HD LYS 14 13.844 6.975 -6.720 122 1HE LYS 14 2HE LYS 14 14.048 5.035 -9.014 123 2HE LYS 14 3HE LYS 14 13.611 6.686 -9.403 124 1HZ LYS 14 1HZ LYS 14 15.631 7.266 -7.903 125 2HZ LYS 14 2HZ LYS 14 16.097 5.724 -8.147 126 H CYS 15 HN CYS 15 12.452 5.623 -2.476 127 HA CYS 15 HA CYS 15 9.913 4.327 -2.804 128 1HB CYS 15 2HB CYS 15 10.689 5.066 -0.578 129 2HB CYS 15 3HB CYS 15 10.691 6.732 -1.122 130 H PHE 16 HN PHE 16 8.664 4.840 -4.571 131 HA PHE 16 HA PHE 16 9.128 7.248 -6.017 132 1HB PHE 16 2HB PHE 16 7.090 4.953 -6.056 133 2HB PHE 16 3HB PHE 16 6.986 6.269 -7.208 134 HD1 PHE 16 HD1 PHE 16 9.779 6.736 -7.930 135 HD2 PHE 16 HD2 PHE 16 7.735 3.080 -7.251 136 HE1 PHE 16 HE1 PHE 16 11.402 5.549 -9.432 137 HE2 PHE 16 HE2 PHE 16 9.358 1.893 -8.755 138 HZ PHE 16 HZ PHE 16 11.172 3.142 -9.827 139 H ASN 17 HN ASN 17 7.699 6.839 -3.080 140 HA ASN 17 HA ASN 17 5.384 8.458 -3.660 141 1HB ASN 17 2HB ASN 17 5.549 6.421 -1.968 142 2HB ASN 17 3HB ASN 17 6.281 7.586 -0.884 143 1HD2 ASN 17 2HD2 ASN 17 3.025 8.151 0.273 144 2HD2 ASN 17 1HD2 ASN 17 4.568 7.412 0.549 145 H CYS 18 HN CYS 18 8.130 8.413 -1.249 146 HA CYS 18 HA CYS 18 7.859 11.268 -0.920 147 1HB CYS 18 2HB CYS 18 9.568 10.982 0.854 148 2HB CYS 18 3HB CYS 18 8.154 9.976 1.098 149 H GLY 19 HN GLY 19 10.186 8.771 -2.116 150 1HA GLY 19 1HA GLY 19 11.445 9.226 -4.090 151 2HA GLY 19 2HA GLY 19 11.571 10.907 -3.611 152 H LYS 20 HN LYS 20 11.910 8.221 -1.276 153 HA LYS 20 HA LYS 20 14.678 9.069 -0.881 154 1HB LYS 20 2HB LYS 20 12.633 8.749 0.915 155 2HB LYS 20 3HB LYS 20 13.445 7.203 1.047 156 1HG LYS 20 2HG LYS 20 15.649 8.722 1.109 157 2HG LYS 20 3HG LYS 20 14.525 9.968 1.615 158 1HD LYS 20 2HD LYS 20 13.717 8.477 3.465 159 2HD LYS 20 3HD LYS 20 14.861 7.247 2.965 160 1HE LYS 20 2HE LYS 20 16.384 9.644 3.222 161 2HE LYS 20 3HE LYS 20 15.317 9.615 4.612 162 1HZ LYS 20 1HZ LYS 20 17.417 8.382 4.980 163 2HZ LYS 20 2HZ LYS 20 16.124 7.409 5.162 164 H GLU 21 HN GLU 21 15.861 6.874 0.226 165 HA GLU 21 HA GLU 21 15.436 4.771 -1.736 166 1HB GLU 21 2HB GLU 21 17.798 6.486 -1.440 167 2HB GLU 21 3HB GLU 21 18.214 4.793 -1.252 168 1HG GLU 21 2HG GLU 21 17.488 4.226 -3.426 169 2HG GLU 21 3HG GLU 21 16.401 5.596 -3.537 170 HE1 GLU 21 HE2 GLU 21 17.863 7.663 -3.062 171 H GLY 22 HN GLY 22 15.048 2.871 -0.693 172 1HA GLY 22 1HA GLY 22 16.414 1.400 0.942 173 2HA GLY 22 2HA GLY 22 15.940 2.630 2.097 174 H HIS 23 HN HIS 23 13.313 3.108 0.592 175 HA HIS 23 HA HIS 23 11.987 0.569 1.089 176 1HB HIS 23 2HB HIS 23 10.422 1.421 2.612 177 2HB HIS 23 3HB HIS 23 11.977 1.980 3.194 178 HD1 HIS 23 HD1 HIS 23 12.420 4.525 3.218 179 HD2 HIS 23 HD2 HIS 23 8.725 3.466 1.540 180 HE1 HIS 23 HE1 HIS 23 11.096 6.692 2.980 181 H ILE 24 HN ILE 24 9.752 0.535 0.153 182 HA ILE 24 HA ILE 24 9.655 2.352 -2.149 183 HB ILE 24 HB ILE 24 8.528 0.644 -3.345 184 1HG1 ILE 24 2HG1 ILE 24 8.533 -1.063 -0.840 185 2HG1 ILE 24 3HG1 ILE 24 7.145 -0.163 -1.419 186 1HG2 ILE 24 3HG2 ILE 24 11.137 0.474 -2.584 187 2HG2 ILE 24 1HG2 ILE 24 10.532 -1.130 -2.107 188 3HG2 ILE 24 2HG2 ILE 24 10.358 -0.578 -3.791 189 1HD1 ILE 24 3HD1 ILE 24 8.621 -2.131 -3.211 190 2HD1 ILE 24 1HD1 ILE 24 7.304 -2.642 -2.128 191 3HD1 ILE 24 2HD1 ILE 24 6.984 -1.464 -3.423 192 H ALA 25 HN ALA 25 7.412 2.947 -2.895 193 HA ALA 25 HA ALA 25 6.041 4.267 -0.937 194 1HB ALA 25 3HB ALA 25 5.169 3.177 -3.636 195 2HB ALA 25 1HB ALA 25 4.159 4.265 -2.653 196 3HB ALA 25 2HB ALA 25 5.742 4.817 -3.251 197 H LYS 26 HN LYS 26 5.707 0.883 -2.068 198 HA LYS 26 HA LYS 26 3.282 0.328 -0.818 199 1HB LYS 26 2HB LYS 26 5.584 -1.572 -1.351 200 2HB LYS 26 3HB LYS 26 3.906 -2.006 -1.101 201 1HG LYS 26 2HG LYS 26 4.454 0.009 -3.260 202 2HG LYS 26 3HG LYS 26 4.988 -1.632 -3.571 203 1HD LYS 26 2HD LYS 26 2.215 -1.325 -2.463 204 2HD LYS 26 3HD LYS 26 2.461 -0.762 -4.104 205 1HE LYS 26 2HE LYS 26 3.552 -3.033 -4.609 206 2HE LYS 26 3HE LYS 26 3.020 -3.563 -3.027 207 1HZ LYS 26 1HZ LYS 26 0.728 -2.623 -3.958 208 2HZ LYS 26 2HZ LYS 26 1.404 -2.996 -5.391 209 H ASN 27 HN ASN 27 6.687 0.193 0.362 210 HA ASN 27 HA ASN 27 5.668 -0.559 2.959 211 1HB ASN 27 2HB ASN 27 8.477 -0.331 1.779 212 2HB ASN 27 3HB ASN 27 8.220 -0.608 3.490 213 1HD2 ASN 27 2HD2 ASN 27 7.096 -3.481 0.709 214 2HD2 ASN 27 1HD2 ASN 27 7.114 -1.795 0.319 215 H CYS 28 HN CYS 28 5.649 2.215 1.362 216 HA CYS 28 HA CYS 28 7.233 3.867 3.097 217 1HB CYS 28 2HB CYS 28 7.032 4.415 0.708 218 2HB CYS 28 3HB CYS 28 5.298 4.603 0.874 219 H ARG 29 HN ARG 29 6.435 5.082 4.840 220 HA ARG 29 HA ARG 29 3.938 4.254 5.849 221 1HB ARG 29 2HB ARG 29 6.287 5.753 6.784 222 2HB ARG 29 3HB ARG 29 4.808 6.514 7.334 223 1HG ARG 29 2HG ARG 29 4.079 4.067 8.006 224 2HG ARG 29 3HG ARG 29 5.786 3.692 7.873 225 1HD ARG 29 2HD ARG 29 5.806 4.348 10.086 226 2HD ARG 29 3HD ARG 29 5.984 5.944 9.384 227 HE ARG 29 HE ARG 29 3.864 6.472 10.194 228 1HH1 ARG 29 1HH2 ARG 29 2.500 2.670 10.537 229 2HH1 ARG 29 2HH2 ARG 29 4.068 2.950 9.856 230 HH2 ARG 29 HH1 ARG 29 1.181 4.538 11.255 231 H ALA 30 HN ALA 30 5.219 7.075 4.086 232 HA ALA 30 HA ALA 30 3.237 8.926 4.652 233 1HB ALA 30 3HB ALA 30 4.897 8.467 2.142 234 2HB ALA 30 1HB ALA 30 3.960 9.941 2.484 235 3HB ALA 30 2HB ALA 30 5.327 9.491 3.531 236 HA PRO 31 HA PRO 31 -0.216 7.486 2.486 237 1HB PRO 31 2HB PRO 31 -1.511 9.803 1.835 238 2HB PRO 31 3HB PRO 31 -1.583 9.080 3.430 239 1HG PRO 31 2HG PRO 31 -0.065 11.455 2.538 240 2HG PRO 31 3HG PRO 31 -0.489 10.972 4.169 241 1HD PRO 31 2HD PRO 31 2.076 10.707 2.913 242 2HD PRO 31 3HD PRO 31 1.620 10.120 4.500 243 H ARG 32 HN ARG 32 -1.265 7.070 0.476 244 HA ARG 32 HA ARG 32 0.531 7.034 -1.577 245 1HB ARG 32 2HB ARG 32 -2.519 7.068 -1.823 246 2HB ARG 32 3HB ARG 32 -1.405 6.415 -3.007 247 1HG ARG 32 2HG ARG 32 -1.076 5.330 -0.244 248 2HG ARG 32 3HG ARG 32 -2.599 4.932 -1.014 249 1HD ARG 32 2HD ARG 32 -1.128 3.164 -1.658 250 2HD ARG 32 3HD ARG 32 -1.212 4.194 -3.072 251 HE ARG 32 HE ARG 32 1.066 4.607 -2.829 252 1HH1 ARG 32 2HH2 ARG 32 -0.227 3.687 0.338 253 2HH1 ARG 32 1HH2 ARG 32 1.320 3.722 1.119 254 HH2 ARG 32 HH1 ARG 32 3.265 4.292 -0.159 255 H LYS 33 HN LYS 33 1.467 8.875 -2.451 256 HA LYS 33 HA LYS 33 -0.378 10.893 -3.479 257 1HB LYS 33 2HB LYS 33 1.015 11.337 -1.154 258 2HB LYS 33 3HB LYS 33 2.117 11.989 -2.351 259 1HG LYS 33 2HG LYS 33 0.399 13.469 -3.247 260 2HG LYS 33 3HG LYS 33 -0.852 12.688 -2.302 261 1HD LYS 33 2HD LYS 33 0.398 13.416 -0.194 262 2HD LYS 33 3HD LYS 33 1.475 14.342 -1.222 263 1HE LYS 33 2HE LYS 33 -1.253 14.961 -1.975 264 2HE LYS 33 3HE LYS 33 -1.117 15.103 -0.234 265 1HZ LYS 33 1HZ LYS 33 0.084 16.751 -2.267 266 2HZ LYS 33 2HZ LYS 33 -0.222 17.110 -0.709 267 H LYS 34 HN LYS 34 1.320 12.578 -4.751 268 HA LYS 34 HA LYS 34 3.297 10.997 -6.154 269 1HB LYS 34 2HB LYS 34 0.878 10.788 -7.208 270 2HB LYS 34 3HB LYS 34 1.254 12.367 -7.868 271 1HG LYS 34 2HG LYS 34 3.346 11.479 -8.873 272 2HG LYS 34 3HG LYS 34 3.046 9.908 -8.157 273 1HD LYS 34 2HD LYS 34 0.934 9.699 -9.468 274 2HD LYS 34 3HD LYS 34 1.196 11.286 -10.163 275 1HE LYS 34 2HE LYS 34 3.179 8.980 -10.454 276 2HE LYS 34 3HE LYS 34 1.931 9.331 -11.633 277 1HZ LYS 34 1HZ LYS 34 4.420 10.649 -11.277 278 2HZ LYS 34 2HZ LYS 34 3.358 10.814 -12.501 279 H GLY 35 HN GLY 35 4.026 12.862 -4.420 280 1HA GLY 35 1HA GLY 35 4.121 15.471 -5.718 281 2HA GLY 35 2HA GLY 35 4.679 15.054 -4.110 282 H CYS 36 HN CYS 36 5.882 16.284 -6.797 283 HA CYS 36 HA CYS 36 7.900 14.560 -7.621 284 1HB CYS 36 2HB CYS 36 7.281 16.459 -8.971 285 2HB CYS 36 3HB CYS 36 7.703 17.585 -7.697 286 H TRP 37 HN TRP 37 9.749 13.895 -6.569 287 HA TRP 37 HA TRP 37 10.316 15.040 -3.983 288 1HB TRP 37 2HB TRP 37 12.197 13.058 -4.992 289 2HB TRP 37 3HB TRP 37 11.255 13.080 -3.515 290 HD1 TRP 37 HD1 TRP 37 8.417 12.469 -4.127 291 HE1 TRP 37 HE1 TRP 37 7.463 10.444 -5.527 292 HE3 TRP 37 HE3 TRP 37 12.711 11.531 -6.684 293 HZ2 TRP 37 HZ2 TRP 37 8.587 8.717 -7.501 294 HZ3 TRP 37 HZ3 TRP 37 12.698 9.657 -8.328 295 HH2 TRP 37 HH2 TRP 37 10.729 8.274 -8.755 296 H LYS 38 HN LYS 38 10.582 16.782 -6.348 297 HA LYS 38 HA LYS 38 13.449 17.328 -6.090 298 1HB LYS 38 2HB LYS 38 12.333 16.295 -8.394 299 2HB LYS 38 3HB LYS 38 12.299 18.020 -8.706 300 1HG LYS 38 2HG LYS 38 14.480 17.747 -9.334 301 2HG LYS 38 3HG LYS 38 14.816 17.758 -7.614 302 1HD LYS 38 2HD LYS 38 15.278 15.509 -7.552 303 2HD LYS 38 3HD LYS 38 13.962 15.104 -8.636 304 1HE LYS 38 2HE LYS 38 15.311 15.144 -10.487 305 2HE LYS 38 3HE LYS 38 16.113 16.620 -9.987 306 1HZ LYS 38 1HZ LYS 38 16.928 14.610 -8.226 307 2HZ LYS 38 2HZ LYS 38 17.055 13.979 -9.723 308 H CYS 39 HN CYS 39 10.182 18.547 -7.071 309 HA CYS 39 HA CYS 39 11.059 21.175 -6.120 310 1HB CYS 39 2HB CYS 39 9.138 22.056 -7.491 311 2HB CYS 39 3HB CYS 39 10.450 21.351 -8.415 312 H GLY 40 HN GLY 40 8.681 18.516 -5.931 313 1HA GLY 40 1HA GLY 40 7.559 17.987 -3.952 314 2HA GLY 40 2HA GLY 40 7.679 19.653 -3.419 315 H LYS 41 HN LYS 41 6.787 19.055 -6.781 316 HA LYS 41 HA LYS 41 4.132 20.086 -6.172 317 1HB LYS 41 2HB LYS 41 6.012 20.673 -8.153 318 2HB LYS 41 3HB LYS 41 4.789 19.742 -8.992 319 1HG LYS 41 2HG LYS 41 3.907 21.914 -9.136 320 2HG LYS 41 3HG LYS 41 3.066 21.287 -7.733 321 1HD LYS 41 2HD LYS 41 4.517 22.455 -6.204 322 2HD LYS 41 3HD LYS 41 5.695 22.796 -7.455 323 1HE LYS 41 2HE LYS 41 3.385 23.952 -8.504 324 2HE LYS 41 3HE LYS 41 3.187 24.234 -6.787 325 1HZ LYS 41 1HZ LYS 41 5.427 25.228 -6.762 326 2HZ LYS 41 2HZ LYS 41 5.592 24.983 -8.363 327 H GLU 42 HN GLU 42 2.382 18.784 -6.094 328 HA GLU 42 HA GLU 42 2.775 16.032 -6.749 329 1HB GLU 42 2HB GLU 42 0.482 15.753 -5.806 330 2HB GLU 42 3HB GLU 42 1.553 16.605 -4.712 331 1HG GLU 42 2HG GLU 42 0.175 18.404 -4.693 332 2HG GLU 42 3HG GLU 42 0.297 18.559 -6.435 333 HE2 GLU 42 HE2 GLU 42 -1.635 18.672 -7.125 334 H GLY 43 HN GLY 43 2.312 15.112 -8.701 335 1HA GLY 43 1HA GLY 43 0.257 15.032 -10.252 336 2HA GLY 43 2HA GLY 43 0.707 16.690 -10.598 337 H HIS 44 HN HIS 44 3.499 16.629 -10.640 338 HA HIS 44 HA HIS 44 3.934 14.891 -12.946 339 1HB HIS 44 2HB HIS 44 5.518 16.450 -13.721 340 2HB HIS 44 3HB HIS 44 4.145 17.393 -13.175 341 HD1 HIS 44 HD1 HIS 44 4.546 19.123 -11.350 342 HD2 HIS 44 HD2 HIS 44 7.810 16.550 -11.921 343 HE1 HIS 44 HE1 HIS 44 6.466 20.087 -9.973 344 H GLN 45 HN GLN 45 6.370 14.200 -13.169 345 HA GLN 45 HA GLN 45 7.204 13.309 -10.518 346 1HB GLN 45 2HB GLN 45 7.980 11.237 -11.503 347 2HB GLN 45 3HB GLN 45 6.328 11.492 -12.029 348 1HG GLN 45 2HG GLN 45 7.818 12.811 -14.001 349 2HG GLN 45 3HG GLN 45 8.815 11.420 -13.627 350 1HE2 GLN 45 2HE2 GLN 45 6.899 9.145 -15.375 351 2HE2 GLN 45 1HE2 GLN 45 8.383 9.595 -14.603 352 H MET 46 HN MET 46 9.587 12.993 -10.240 353 HA MET 46 HA MET 46 10.989 15.202 -10.938 354 1HB MET 46 2HB MET 46 12.867 14.061 -9.969 355 2HB MET 46 3HB MET 46 11.483 13.295 -9.213 356 1HG MET 46 2HG MET 46 12.631 11.388 -9.884 357 2HG MET 46 3HG MET 46 11.664 11.640 -11.323 358 1HE MET 46 2HE MET 46 14.943 11.499 -9.658 359 2HE MET 46 3HE MET 46 16.149 12.153 -10.793 360 3HE MET 46 1HE MET 46 15.118 13.260 -9.855 361 H LYS 47 HN LYS 47 10.510 12.191 -12.774 362 HA LYS 47 HA LYS 47 12.639 12.419 -14.540 363 1HB LYS 47 2HB LYS 47 10.980 10.486 -14.139 364 2HB LYS 47 3HB LYS 47 9.927 11.309 -15.271 365 1HG LYS 47 2HG LYS 47 11.122 9.922 -16.724 366 2HG LYS 47 3HG LYS 47 12.077 11.387 -16.818 367 1HD LYS 47 2HD LYS 47 13.838 10.023 -16.296 368 2HD LYS 47 3HD LYS 47 13.259 10.174 -14.650 369 1HE LYS 47 2HE LYS 47 12.866 7.942 -14.590 370 2HE LYS 47 3HE LYS 47 11.672 8.124 -15.861 371 1HZ LYS 47 1HZ LYS 47 13.136 6.824 -16.994 372 2HZ LYS 47 2HZ LYS 47 13.944 8.208 -17.280 373 H ASP 48 HN ASP 48 9.357 13.900 -14.552 374 HA ASP 48 HA ASP 48 10.219 15.411 -16.886 375 1HB ASP 48 2HB ASP 48 7.936 13.967 -16.601 376 2HB ASP 48 3HB ASP 48 7.374 15.475 -15.909 377 HD2 ASP 48 HD2 ASP 48 7.288 15.061 -19.731 378 H CYS 49 HN CYS 49 10.959 15.891 -13.996 379 HA CYS 49 HA CYS 49 9.501 17.672 -12.632 380 1HB CYS 49 2HB CYS 49 11.735 16.749 -11.973 381 2HB CYS 49 3HB CYS 49 12.499 17.909 -13.042 382 H THR 50 HN THR 50 8.409 19.464 -13.364 383 HA THR 50 HA THR 50 9.295 20.836 -15.725 384 HB THR 50 HB THR 50 7.204 22.154 -15.283 385 HG1 THR 50 HG1 THR 50 6.062 21.213 -13.269 386 1HG2 THR 50 3HG2 THR 50 7.080 19.125 -14.961 387 2HG2 THR 50 1HG2 THR 50 5.600 20.112 -14.940 388 3HG2 THR 50 2HG2 THR 50 6.640 20.098 -16.384 389 H GLU 51 HN GLU 51 10.508 20.843 -12.655 390 HA GLU 51 HA GLU 51 11.182 23.671 -12.913 391 1HB GLU 51 2HB GLU 51 9.698 22.981 -10.908 392 2HB GLU 51 3HB GLU 51 11.108 22.154 -10.277 393 1HG GLU 51 2HG GLU 51 11.408 25.028 -11.161 394 2HG GLU 51 3HG GLU 51 10.595 24.707 -9.643 395 HE1 GLU 51 HE2 GLU 51 13.525 22.818 -8.600 396 H ARG 52 HN ARG 52 12.834 22.404 -14.397 397 HA ARG 52 HA ARG 52 15.078 21.722 -12.674 398 1HB ARG 52 2HB ARG 52 13.956 19.826 -14.128 399 2HB ARG 52 3HB ARG 52 14.749 20.603 -15.484 400 1HG ARG 52 2HG ARG 52 16.216 18.843 -14.654 401 2HG ARG 52 3HG ARG 52 16.955 20.389 -14.286 402 1HD ARG 52 2HD ARG 52 15.131 19.342 -12.165 403 2HD ARG 52 3HD ARG 52 16.567 18.376 -12.440 404 HE ARG 52 HE ARG 52 17.662 20.859 -12.312 405 1HH1 ARG 52 2HH2 ARG 52 15.259 19.307 -10.221 406 2HH1 ARG 52 1HH2 ARG 52 15.731 20.197 -8.810 407 HH2 ARG 52 HH1 ARG 52 17.510 21.794 -8.969 408 H GLN 53 HN GLN 53 17.233 22.330 -13.549 409 HA GLN 53 HA GLN 53 17.408 23.757 -15.958 410 1HB GLN 53 2HB GLN 53 17.909 25.999 -15.057 411 2HB GLN 53 3HB GLN 53 16.272 25.519 -14.656 412 1HG GLN 53 2HG GLN 53 17.900 24.547 -12.526 413 2HG GLN 53 3HG GLN 53 18.484 26.163 -12.865 414 1HE2 GLN 53 2HE2 GLN 53 15.925 26.779 -10.407 415 2HE2 GLN 53 1HE2 GLN 53 17.556 26.220 -10.575 416 H ALA 54 HN ALA 54 18.872 21.673 -15.510 417 HA ALA 54 HA ALA 54 20.967 21.562 -13.846 418 1HB ALA 54 2HB ALA 54 20.209 20.448 -16.373 419 2HB ALA 54 3HB ALA 54 21.936 20.871 -16.458 420 3HB ALA 54 1HB ALA 54 21.346 19.790 -15.172 421 H ASN 55 HN ASN 55 21.132 23.159 -17.115 422 HA ASN 55 HA ASN 55 23.593 24.163 -16.954 423 1HB ASN 55 2HB ASN 55 22.699 26.105 -18.371 424 2HB ASN 55 3HB ASN 55 22.265 24.511 -18.955 425 1HD2 ASN 55 2HD2 ASN 55 19.453 27.234 -18.089 426 2HD2 ASN 55 1HD2 ASN 55 21.152 27.532 -18.252 427 1H5* G 201 1H5* G 201 -0.354 -15.363 -6.328 428 2H5* G 201 2H5* G 201 0.191 -14.410 -4.949 429 H4* G 201 H4* G 201 0.300 -16.695 -4.324 430 H3* G 201 H3* G 201 3.188 -16.120 -5.036 431 1H2* G 201 1H2* G 201 3.519 -17.537 -3.174 432 2HO* G 201 2HO* G 201 1.543 -17.787 -1.766 433 H1* G 201 H1* G 201 1.300 -19.159 -3.729 434 H8 G 201 H8 G 201 3.625 -17.817 -6.461 435 H1 G 201 H1 G 201 4.739 -23.919 -4.617 436 1H2 G 201 1H2 G 201 3.485 -24.406 -3.054 437 2H2 G 201 2H2 G 201 2.308 -23.322 -2.348 438 1H5* G 202 1H5* G 202 2.784 -15.538 -1.154 439 2H5* G 202 2H5* G 202 3.674 -14.201 -0.425 440 H4* G 202 H4* G 202 4.309 -15.977 0.891 441 H3* G 202 H3* G 202 6.368 -15.534 -1.236 442 1H2* G 202 1H2* G 202 7.641 -17.377 -0.486 443 2HO* G 202 2HO* G 202 7.141 -16.740 1.737 444 H1* G 202 H1* G 202 5.432 -19.090 -0.241 445 H8 G 202 H8 G 202 5.843 -16.640 -3.155 446 H1 G 202 H1 G 202 7.568 -22.752 -4.403 447 1H2 G 202 1H2 G 202 7.409 -23.877 -2.683 448 2H2 G 202 2H2 G 202 6.886 -23.257 -1.133 449 1H5* A 203 1H5* A 203 8.867 -16.827 2.746 450 2H5* A 203 2H5* A 203 9.650 -15.247 2.742 451 H4* A 203 H4* A 203 11.334 -16.931 2.921 452 H3* A 203 H3* A 203 11.250 -15.328 0.435 453 1H2* A 203 1H2* A 203 12.801 -16.652 -0.724 454 2HO* A 203 2HO* A 203 14.074 -16.757 1.267 455 H1* A 203 H1* A 203 11.723 -19.114 0.219 456 H8 A 203 H8 A 203 9.528 -16.312 -1.158 457 1H6 A 203 1H6 A 203 9.544 -19.554 -6.492 458 2H6 A 203 2H6 A 203 8.878 -18.150 -5.688 459 H2 A 203 H2 A 203 12.265 -21.582 -3.624 460 1H5* C 204 1H5* C 204 15.511 -15.357 1.273 461 2H5* C 204 2H5* C 204 16.241 -14.064 0.322 462 H4* C 204 H4* C 204 16.244 -16.715 -0.334 463 H3* C 204 H3* C 204 16.622 -14.241 -2.013 464 1H2* C 204 1H2* C 204 16.211 -15.496 -3.864 465 2HO* C 204 2HO* C 204 18.289 -16.236 -3.869 466 H1* C 204 H1* C 204 15.725 -18.098 -2.654 467 1H4 C 204 1H4 C 204 10.454 -17.044 -6.076 468 2H4 C 204 2H4 C 204 10.001 -15.744 -4.994 469 H5 C 204 H5 C 204 11.350 -14.986 -3.211 470 H6 C 204 H6 C 204 13.488 -15.290 -2.013 471 1H5* U 205 1H5* U 205 20.785 -14.483 -3.292 472 2H5* U 205 2H5* U 205 20.530 -12.871 -3.961 473 H4* U 205 H4* U 205 20.125 -15.240 -5.278 474 H3* U 205 H3* U 205 18.594 -12.711 -5.973 475 1H2* U 205 1H2* U 205 18.580 -13.721 -8.091 476 2HO* U 205 2HO* U 205 20.497 -14.580 -8.664 477 H1* U 205 H1* U 205 18.377 -16.337 -7.238 478 H3 U 205 H3 U 205 14.055 -15.905 -8.313 479 H5 U 205 H5 U 205 14.518 -13.060 -5.275 480 H6 U 205 H6 U 205 16.904 -13.627 -5.245 481 1H5* A 206 1H5* A 206 20.627 -12.592 -8.472 482 2H5* A 206 2H5* A 206 21.573 -11.290 -9.193 483 H4* A 206 H4* A 206 19.982 -11.797 -10.811 484 H3* A 206 H3* A 206 18.799 -9.482 -9.232 485 1H2* A 206 1H2* A 206 17.248 -9.356 -10.925 486 2HO* A 206 2HO* A 206 18.069 -9.455 -13.006 487 H1* A 206 H1* A 206 17.569 -12.048 -11.905 488 H8 A 206 H8 A 206 16.714 -11.276 -8.276 489 1H6 A 206 1H6 A 206 10.796 -12.418 -9.896 490 2H6 A 206 2H6 A 206 11.853 -12.064 -8.548 491 H2 A 206 H2 A 206 13.292 -12.554 -13.569 492 1H5* G 207 1H5* G 207 19.922 -8.048 -12.771 493 2H5* G 207 2H5* G 207 20.053 -6.308 -13.023 494 H4* G 207 H4* G 207 18.099 -7.046 -14.147 495 H3* G 207 H3* G 207 17.314 -5.696 -11.540 496 1H2* G 207 1H2* G 207 15.149 -5.628 -12.404 497 2HO* G 207 2HO* G 207 15.715 -6.357 -15.001 498 H1* G 207 H1* G 207 15.525 -8.078 -13.916 499 H8 G 207 H8 G 207 16.051 -7.891 -10.158 500 H1 G 207 H1 G 207 10.183 -9.922 -11.980 501 1H2 G 207 1H2 G 207 9.997 -9.743 -14.025 502 2H2 G 207 2H2 G 207 11.245 -9.135 -15.089 503 1H5* C 208 1H5* C 208 18.214 -2.581 -14.819 504 2H5* C 208 2H5* C 208 18.103 -0.875 -14.388 505 H4* C 208 H4* C 208 16.347 -1.513 -15.946 506 H3* C 208 H3* C 208 15.644 -0.503 -13.244 507 1H2* C 208 1H2* C 208 13.388 -1.035 -13.415 508 2HO* C 208 2HO* C 208 12.755 -0.320 -15.369 509 H1* C 208 H1* C 208 13.848 -3.414 -14.989 510 1H4 C 208 1H4 C 208 11.903 -5.725 -9.381 511 2H4 C 208 2H4 C 208 13.372 -5.155 -8.621 512 H5 C 208 H5 C 208 15.024 -3.888 -9.736 513 H6 C 208 H6 C 208 15.680 -2.846 -11.876 514 1H5* G 209 1H5* G 209 13.691 1.719 -15.966 515 2H5* G 209 2H5* G 209 13.096 3.355 -15.679 516 H4* G 209 H4* G 209 11.338 1.714 -15.343 517 H3* G 209 H3* G 209 12.226 2.998 -12.734 518 1H2* G 209 1H2* G 209 10.173 2.240 -11.882 519 2HO* G 209 2HO* G 209 8.484 2.249 -13.294 520 H1* G 209 H1* G 209 10.168 -0.208 -13.220 521 H8 G 209 H8 G 209 13.346 1.334 -11.734 522 H1 G 209 H1 G 209 10.553 -3.276 -8.152 523 1H2 G 209 1H2 G 209 8.802 -3.885 -9.056 524 2H2 G 209 2H2 G 209 8.183 -3.241 -10.561 525 1H5* G 210 1H5* G 210 10.834 7.304 -11.487 526 2H5* G 210 2H5* G 210 11.002 5.552 -11.392 527 H4* G 210 H4* G 210 8.767 5.184 -11.470 528 H3* G 210 H3* G 210 8.727 6.982 -13.675 529 1H2* G 210 1H2* G 210 7.615 8.757 -12.785 530 2HO* G 210 2HO* G 210 5.572 7.293 -11.640 531 H1* G 210 H1* G 210 6.920 7.618 -10.163 532 H8 G 210 H8 G 210 10.142 9.149 -11.591 533 H1 G 210 H1 G 210 7.182 12.622 -7.003 534 1H2 G 210 1H2 G 210 5.449 11.666 -6.424 535 2H2 G 210 2H2 G 210 4.884 10.147 -7.084 536 1H5* A 211 1H5* A 211 8.285 3.478 -10.544 537 2H5* A 211 2H5* A 211 8.276 1.903 -11.338 538 H4* A 211 H4* A 211 6.971 1.448 -9.527 539 H3* A 211 H3* A 211 5.289 2.082 -11.843 540 1H2* A 211 1H2* A 211 3.934 3.388 -10.461 541 2HO* A 211 2HO* A 211 2.395 1.777 -9.613 542 H1* A 211 H1* A 211 4.667 1.658 -8.063 543 H8 A 211 H8 A 211 5.101 5.352 -9.006 544 1H6 A 211 1H6 A 211 1.753 6.533 -3.872 545 2H6 A 211 2H6 A 211 2.627 7.271 -5.196 546 H2 A 211 H2 A 211 2.033 2.125 -4.367 547 1H5* G 212 1H5* G 212 2.987 -2.307 -9.476 548 2H5* G 212 2H5* G 212 3.926 -0.821 -9.339 549 H4* G 212 H4* G 212 5.423 -3.347 -9.841 550 H3* G 212 H3* G 212 3.724 -3.008 -7.467 551 1H2* G 212 1H2* G 212 5.401 -2.774 -5.941 552 2HO* G 212 2HO* G 212 6.740 -4.574 -7.749 553 H1* G 212 H1* G 212 7.570 -2.315 -7.859 554 H8 G 212 H8 G 212 4.565 -0.299 -6.556 555 H1 G 212 H1 G 212 10.397 2.162 -5.208 556 1H2 G 212 1H2 G 212 11.859 0.934 -5.987 557 2H2 G 212 2H2 G 212 11.551 -0.542 -6.874 558 1H5* G 213 1H5* G 213 2.260 -4.278 -9.654 559 2H5* G 213 2H5* G 213 1.096 -5.516 -10.123 560 H4* G 213 H4* G 213 2.463 -4.974 -12.013 561 H3* G 213 H3* G 213 3.137 -7.690 -10.845 562 1H2* G 213 1H2* G 213 4.664 -7.919 -12.522 563 2HO* G 213 2HO* G 213 2.682 -7.968 -13.840 564 H1* G 213 H1* G 213 4.971 -5.316 -13.501 565 H8 G 213 H8 G 213 4.997 -6.144 -9.761 566 H1 G 213 H1 G 213 10.820 -5.373 -12.476 567 1H2 G 213 1H2 G 213 10.600 -5.069 -14.504 568 2H2 G 213 2H2 G 213 9.065 -5.029 -15.344 569 1H5* C 214 1H5* C 214 1.319 -9.596 -14.379 570 2H5* C 214 2H5* C 214 1.541 -11.265 -13.854 571 H4* C 214 H4* C 214 3.212 -10.122 -15.529 572 H3* C 214 H3* C 214 4.261 -11.809 -13.223 573 1H2* C 214 1H2* C 214 6.123 -12.082 -14.630 574 2HO* C 214 2HO* C 214 5.766 -11.722 -16.924 575 H1* C 214 H1* C 214 6.198 -9.522 -15.628 576 1H4 C 214 1H4 C 214 9.669 -8.757 -10.357 577 2H4 C 214 2H4 C 214 8.293 -9.152 -9.353 578 H5 C 214 H5 C 214 6.178 -9.772 -10.202 579 H6 C 214 H6 C 214 4.850 -10.168 -12.245 580 1H5* U 215 1H5* U 215 4.743 -14.224 -16.796 581 2H5* U 215 2H5* U 215 4.903 -15.902 -16.282 582 H4* U 215 H4* U 215 6.879 -14.809 -17.486 583 H3* U 215 H3* U 215 7.017 -16.505 -15.042 584 1H2* U 215 1H2* U 215 9.129 -15.836 -14.504 585 2HO* U 215 2HO* U 215 9.432 -15.599 -17.360 586 H1* U 215 H1* U 215 9.268 -13.519 -16.274 587 H3 U 215 H3 U 215 10.962 -11.736 -12.482 588 H5 U 215 H5 U 215 6.985 -12.583 -11.478 589 H6 U 215 H6 U 215 6.774 -13.690 -13.656 590 1H5* A 216 1H5* A 216 9.520 -17.832 -17.695 591 2H5* A 216 2H5* A 216 9.975 -19.490 -18.090 592 H4* A 216 H4* A 216 11.824 -18.557 -16.975 593 H3* A 216 H3* A 216 10.243 -20.288 -15.055 594 1H2* A 216 1H2* A 216 11.927 -19.974 -13.499 595 2HO* A 216 2HO* A 216 13.997 -20.050 -14.292 596 H1* A 216 H1* A 216 12.721 -17.403 -14.667 597 H8 A 216 H8 A 216 9.294 -17.985 -13.162 598 1H6 A 216 1H6 A 216 11.571 -15.337 -7.989 599 2H6 A 216 2H6 A 216 10.119 -15.957 -8.743 600 H2 A 216 H2 A 216 14.912 -15.855 -10.872 601 1H5* G 217 1H5* G 217 13.707 -21.849 -15.788 602 2H5* G 217 2H5* G 217 14.226 -23.517 -15.551 603 H4* G 217 H4* G 217 15.126 -22.429 -13.722 604 H3* G 217 H3* G 217 12.425 -23.392 -12.705 605 1H2* G 217 1H2* G 217 13.365 -23.081 -10.578 606 2HO* G 217 2HO* G 217 15.388 -23.860 -10.518 607 H1* G 217 H1* G 217 14.929 -20.823 -11.472 608 H8 G 217 H8 G 217 11.165 -21.053 -11.980 609 H1 G 217 H1 G 217 13.014 -17.736 -6.740 610 1H2 G 217 1H2 G 217 15.057 -17.897 -6.508 611 2H2 G 217 2H2 G 217 16.111 -18.797 -7.575 612 1H5* U 218 1H5* U 218 15.314 -26.003 -11.018 613 2H5* U 218 2H5* U 218 14.713 -27.652 -10.839 614 H4* U 218 H4* U 218 15.353 -27.055 -8.688 615 H3* U 218 H3* U 218 12.385 -26.731 -9.024 616 1H2* U 218 1H2* U 218 12.172 -26.038 -6.783 617 2HO* U 218 2HO* U 218 14.673 -26.228 -5.848 618 H1* U 218 H1* U 218 14.537 -24.426 -6.908 619 H3 U 218 H3 U 218 11.559 -21.161 -6.088 620 H5 U 218 H5 U 218 10.335 -22.633 -9.812 621 H6 U 218 H6 U 218 12.051 -24.369 -9.578 622 1H5* C 219 1H5* C 219 13.057 -28.750 -5.824 623 2H5* C 219 2H5* C 219 12.350 -30.334 -5.506 624 H4* C 219 H4* C 219 11.704 -29.221 -3.626 625 H3* C 219 H3* C 219 9.494 -28.777 -5.630 626 1H2* C 219 1H2* C 219 8.272 -27.615 -3.986 627 2HO* C 219 2HO* C 219 8.575 -28.849 -2.193 628 H1* C 219 H1* C 219 10.460 -26.157 -3.021 629 1H4 C 219 1H4 C 219 7.985 -22.088 -7.237 630 2H4 C 219 2H4 C 219 8.357 -23.179 -8.552 631 H5 C 219 H5 C 219 9.315 -25.317 -8.257 632 H6 C 219 H6 C 219 10.160 -26.951 -6.609 633 1H5* C 220 1H5* C 220 7.965 -31.199 -2.575 634 2H5* C 220 2H5* C 220 7.031 -32.639 -2.978 635 H4* C 220 H4* C 220 5.514 -31.451 -1.739 636 H3* C 220 H3* C 220 5.067 -30.862 -4.635 637 1H2* C 220 1H2* C 220 3.368 -29.294 -4.144 638 2HO* C 220 2HO* C 220 3.760 -30.290 -1.468 639 H1* C 220 H1* C 220 4.834 -28.029 -2.103 640 1H4 C 220 1H4 C 220 6.095 -24.282 -7.083 641 2H4 C 220 2H4 C 220 6.904 -25.598 -7.907 642 H5 C 220 H5 C 220 7.053 -27.792 -7.048 643 H6 C 220 H6 C 220 6.459 -29.280 -5.169 No H/Q in entry = 643 Start of MODEL 5 1 H MET 1 HN MET 1 -1.711 -9.989 1.817 2 HA MET 1 HA MET 1 -1.132 -12.148 1.419 3 1HB MET 1 2HB MET 1 -0.662 -11.059 -1.382 4 2HB MET 1 3HB MET 1 0.118 -12.559 -0.924 5 1HG MET 1 2HG MET 1 -2.106 -13.534 -0.312 6 2HG MET 1 3HG MET 1 -2.890 -12.030 -0.754 7 1HE MET 1 3HE MET 1 -3.527 -14.713 -1.517 8 2HE MET 1 1HE MET 1 -3.827 -14.728 -3.271 9 3HE MET 1 2HE MET 1 -2.404 -15.565 -2.605 10 H GLN 2 HN GLN 2 1.173 -13.243 1.005 11 HA GLN 2 HA GLN 2 2.946 -12.118 2.645 12 1HB GLN 2 2HB GLN 2 3.031 -14.170 0.535 13 2HB GLN 2 3HB GLN 2 4.591 -13.408 0.774 14 1HG GLN 2 2HG GLN 2 3.472 -13.878 3.382 15 2HG GLN 2 3HG GLN 2 3.256 -15.350 2.457 16 1HE2 GLN 2 2HE2 GLN 2 6.465 -16.253 3.477 17 2HE2 GLN 2 1HE2 GLN 2 4.755 -16.512 3.579 18 H LYS 3 HN LYS 3 2.983 -11.785 -0.977 19 HA LYS 3 HA LYS 3 3.641 -10.089 -2.250 20 1HB LYS 3 2HB LYS 3 3.151 -8.787 0.214 21 2HB LYS 3 3HB LYS 3 4.696 -8.185 -0.353 22 1HG LYS 3 2HG LYS 3 3.216 -8.188 -2.700 23 2HG LYS 3 3HG LYS 3 1.981 -7.817 -1.513 24 1HD LYS 3 2HD LYS 3 4.640 -6.340 -1.516 25 2HD LYS 3 3HD LYS 3 3.327 -5.835 -2.562 26 1HE LYS 3 2HE LYS 3 2.797 -4.546 -0.712 27 2HE LYS 3 3HE LYS 3 1.913 -5.994 -0.273 28 1HZ LYS 3 1HZ LYS 3 3.656 -6.656 1.177 29 2HZ LYS 3 2HZ LYS 3 4.724 -5.587 0.571 30 H GLY 4 HN GLY 4 5.225 -12.048 -2.460 31 1HA GLY 4 1HA GLY 4 7.768 -11.994 -1.323 32 2HA GLY 4 2HA GLY 4 7.326 -12.741 -2.846 33 H ASN 5 HN ASN 5 6.308 -10.041 -3.908 34 HA ASN 5 HA ASN 5 8.588 -9.352 -5.266 35 1HB ASN 5 2HB ASN 5 5.926 -8.719 -5.471 36 2HB ASN 5 3HB ASN 5 6.525 -7.209 -4.814 37 1HD2 ASN 5 2HD2 ASN 5 7.969 -6.051 -7.736 38 2HD2 ASN 5 1HD2 ASN 5 7.505 -5.797 -6.087 39 H PHE 6 HN PHE 6 7.533 -8.622 -2.031 40 HA PHE 6 HA PHE 6 8.575 -6.069 -1.667 41 1HB PHE 6 2HB PHE 6 7.095 -7.142 -0.035 42 2HB PHE 6 3HB PHE 6 8.127 -8.555 0.069 43 HD1 PHE 6 HD2 PHE 6 10.442 -8.258 1.125 44 HD2 PHE 6 HD1 PHE 6 7.352 -5.371 1.475 45 HE1 PHE 6 HE2 PHE 6 11.591 -7.273 3.128 46 HE2 PHE 6 HE1 PHE 6 8.501 -4.385 3.478 47 HZ PHE 6 HZ PHE 6 10.606 -5.347 4.280 48 H ARG 7 HN ARG 7 10.169 -9.094 -2.255 49 HA ARG 7 HA ARG 7 12.426 -8.767 -0.719 50 1HB ARG 7 2HB ARG 7 11.581 -10.385 -3.042 51 2HB ARG 7 3HB ARG 7 13.295 -10.027 -3.087 52 1HG ARG 7 2HG ARG 7 13.576 -10.919 -0.791 53 2HG ARG 7 3HG ARG 7 11.850 -11.198 -0.664 54 1HD ARG 7 2HD ARG 7 13.579 -12.489 -2.825 55 2HD ARG 7 3HD ARG 7 13.263 -13.252 -1.280 56 HE ARG 7 HE ARG 7 10.995 -13.594 -1.905 57 1HH1 ARG 7 2HH2 ARG 7 12.692 -11.672 -4.351 58 2HH1 ARG 7 1HH2 ARG 7 11.444 -11.854 -5.538 59 HH2 ARG 7 HH1 ARG 7 9.488 -13.128 -4.999 60 H ASN 8 HN ASN 8 11.251 -6.873 -3.326 61 HA ASN 8 HA ASN 8 13.493 -6.257 -4.745 62 1HB ASN 8 2HB ASN 8 12.325 -4.067 -5.219 63 2HB ASN 8 3HB ASN 8 11.260 -5.447 -5.391 64 1HD2 ASN 8 2HD2 ASN 8 9.921 -2.517 -3.258 65 2HD2 ASN 8 1HD2 ASN 8 10.900 -2.535 -4.687 66 H GLN 9 HN GLN 9 12.669 -5.609 -1.418 67 HA GLN 9 HA GLN 9 13.967 -3.194 -1.039 68 1HB GLN 9 2HB GLN 9 13.405 -5.517 0.849 69 2HB GLN 9 3HB GLN 9 14.088 -3.998 1.395 70 1HG GLN 9 2HG GLN 9 11.965 -3.050 -0.054 71 2HG GLN 9 3HG GLN 9 11.314 -4.600 0.443 72 1HE2 GLN 9 2HE2 GLN 9 10.504 -1.965 2.975 73 2HE2 GLN 9 1HE2 GLN 9 10.285 -2.158 1.267 74 H ARG 10 HN ARG 10 15.225 -6.235 -1.946 75 HA ARG 10 HA ARG 10 17.649 -6.044 -0.502 76 1HB ARG 10 2HB ARG 10 18.327 -8.007 -1.795 77 2HB ARG 10 3HB ARG 10 16.649 -8.212 -1.334 78 1HG ARG 10 2HG ARG 10 15.991 -7.252 -3.610 79 2HG ARG 10 3HG ARG 10 17.687 -7.286 -4.051 80 1HD ARG 10 2HD ARG 10 16.225 -9.773 -3.058 81 2HD ARG 10 3HD ARG 10 16.265 -9.331 -4.753 82 HE ARG 10 HE ARG 10 18.571 -9.865 -4.845 83 1HH1 ARG 10 2HH2 ARG 10 17.410 -9.998 -1.500 84 2HH1 ARG 10 1HH2 ARG 10 18.830 -10.791 -0.907 85 HH2 ARG 10 HH1 ARG 10 20.603 -11.319 -2.432 86 H LYS 11 HN LYS 11 16.419 -4.103 -2.860 87 HA LYS 11 HA LYS 11 19.084 -3.589 -3.970 88 1HB LYS 11 2HB LYS 11 17.868 -4.757 -5.695 89 2HB LYS 11 3HB LYS 11 16.466 -3.727 -5.488 90 1HG LYS 11 2HG LYS 11 17.486 -1.877 -6.513 91 2HG LYS 11 3HG LYS 11 19.106 -2.401 -6.099 92 1HD LYS 11 2HD LYS 11 18.987 -2.821 -8.426 93 2HD LYS 11 3HD LYS 11 18.688 -4.399 -7.723 94 1HE LYS 11 2HE LYS 11 16.814 -4.429 -9.029 95 2HE LYS 11 3HE LYS 11 16.120 -3.365 -7.822 96 1HZ LYS 11 1HZ LYS 11 16.649 -2.746 -10.484 97 2HZ LYS 11 2HZ LYS 11 16.076 -1.733 -9.344 98 H THR 12 HN THR 12 17.955 -2.432 -1.616 99 HA THR 12 HA THR 12 17.129 -0.497 -0.766 100 HB THR 12 HB THR 12 19.681 -0.350 -1.445 101 HG1 THR 12 HG1 THR 12 18.697 1.012 0.160 102 1HG2 THR 12 1HG2 THR 12 18.553 0.699 -3.813 103 2HG2 THR 12 2HG2 THR 12 19.030 2.139 -2.881 104 3HG2 THR 12 3HG2 THR 12 20.240 0.897 -3.284 105 H VAL 13 HN VAL 13 15.239 -1.312 -2.557 106 HA VAL 13 HA VAL 13 14.602 0.151 -4.706 107 HB VAL 13 HB VAL 13 12.211 -0.111 -3.936 108 1HG1 VAL 13 2HG1 VAL 13 14.228 -2.195 -4.424 109 2HG1 VAL 13 3HG1 VAL 13 12.757 -2.789 -3.616 110 3HG1 VAL 13 1HG1 VAL 13 12.636 -1.939 -5.175 111 1HG2 VAL 13 2HG2 VAL 13 13.587 -1.314 -1.514 112 2HG2 VAL 13 3HG2 VAL 13 12.475 0.075 -1.547 113 3HG2 VAL 13 1HG2 VAL 13 11.872 -1.557 -1.923 114 H LYS 14 HN LYS 14 13.293 2.089 -5.102 115 HA LYS 14 HA LYS 14 13.798 4.095 -3.020 116 1HB LYS 14 2HB LYS 14 14.077 5.700 -4.699 117 2HB LYS 14 3HB LYS 14 14.921 4.289 -5.306 118 1HG LYS 14 2HG LYS 14 12.316 3.896 -6.249 119 2HG LYS 14 3HG LYS 14 12.504 5.635 -6.362 120 1HD LYS 14 2HD LYS 14 14.879 4.125 -7.310 121 2HD LYS 14 3HD LYS 14 13.427 3.791 -8.233 122 1HE LYS 14 2HE LYS 14 13.089 6.211 -8.647 123 2HE LYS 14 3HE LYS 14 14.461 6.604 -7.631 124 1HZ LYS 14 1HZ LYS 14 15.910 6.000 -9.263 125 2HZ LYS 14 2HZ LYS 14 15.031 4.728 -9.776 126 H CYS 15 HN CYS 15 12.118 5.328 -2.205 127 HA CYS 15 HA CYS 15 9.517 4.241 -2.626 128 1HB CYS 15 2HB CYS 15 10.289 4.973 -0.395 129 2HB CYS 15 3HB CYS 15 10.398 6.627 -0.966 130 H PHE 16 HN PHE 16 8.317 4.805 -4.411 131 HA PHE 16 HA PHE 16 8.958 7.159 -5.886 132 1HB PHE 16 2HB PHE 16 6.831 4.951 -5.944 133 2HB PHE 16 3HB PHE 16 6.766 6.274 -7.091 134 HD1 PHE 16 HD1 PHE 16 9.390 6.704 -8.035 135 HD2 PHE 16 HD2 PHE 16 7.603 3.022 -6.919 136 HE1 PHE 16 HE1 PHE 16 10.979 5.476 -9.541 137 HE2 PHE 16 HE2 PHE 16 9.192 1.794 -8.425 138 HZ PHE 16 HZ PHE 16 10.861 3.035 -9.718 139 H ASN 17 HN ASN 17 7.528 6.956 -2.969 140 HA ASN 17 HA ASN 17 5.299 8.676 -3.633 141 1HB ASN 17 2HB ASN 17 5.251 6.645 -1.941 142 2HB ASN 17 3HB ASN 17 6.055 7.739 -0.834 143 1HD2 ASN 17 2HD2 ASN 17 2.900 8.699 0.281 144 2HD2 ASN 17 1HD2 ASN 17 4.402 7.898 0.598 145 H CYS 18 HN CYS 18 8.055 8.445 -1.248 146 HA CYS 18 HA CYS 18 7.952 11.329 -0.927 147 1HB CYS 18 2HB CYS 18 9.496 10.968 0.956 148 2HB CYS 18 3HB CYS 18 8.030 10.024 1.123 149 H GLY 19 HN GLY 19 10.101 8.611 -1.958 150 1HA GLY 19 1HA GLY 19 11.506 8.885 -3.854 151 2HA GLY 19 2HA GLY 19 11.726 10.574 -3.443 152 H LYS 20 HN LYS 20 11.763 7.951 -1.006 153 HA LYS 20 HA LYS 20 14.647 8.431 -0.704 154 1HB LYS 20 2HB LYS 20 12.468 8.694 1.189 155 2HB LYS 20 3HB LYS 20 13.615 7.490 1.743 156 1HG LYS 20 2HG LYS 20 15.408 9.339 0.972 157 2HG LYS 20 3HG LYS 20 14.054 10.427 1.205 158 1HD LYS 20 2HD LYS 20 13.797 9.110 3.520 159 2HD LYS 20 3HD LYS 20 15.482 8.714 3.245 160 1HE LYS 20 2HE LYS 20 15.983 11.175 2.967 161 2HE LYS 20 3HE LYS 20 14.308 11.535 3.336 162 1HZ LYS 20 1HZ LYS 20 16.083 11.485 5.237 163 2HZ LYS 20 2HZ LYS 20 14.590 10.909 5.533 164 H GLU 21 HN GLU 21 15.996 6.636 -0.424 165 HA GLU 21 HA GLU 21 14.808 4.199 -1.347 166 1HB GLU 21 2HB GLU 21 17.618 5.219 -0.938 167 2HB GLU 21 3HB GLU 21 17.366 3.489 -1.051 168 1HG GLU 21 2HG GLU 21 17.068 3.601 -3.300 169 2HG GLU 21 3HG GLU 21 15.837 4.837 -3.136 170 HE2 GLU 21 HE2 GLU 21 17.753 7.498 -3.399 171 H GLY 22 HN GLY 22 14.870 2.162 -0.214 172 1HA GLY 22 1HA GLY 22 15.736 1.028 1.804 173 2HA GLY 22 2HA GLY 22 15.266 2.457 2.704 174 H HIS 23 HN HIS 23 12.796 2.843 0.944 175 HA HIS 23 HA HIS 23 11.257 0.483 1.581 176 1HB HIS 23 2HB HIS 23 9.707 1.508 3.011 177 2HB HIS 23 3HB HIS 23 11.280 1.971 3.630 178 HD1 HIS 23 HD1 HIS 23 11.911 4.475 3.584 179 HD2 HIS 23 HD2 HIS 23 8.212 3.629 1.795 180 HE1 HIS 23 HE1 HIS 23 10.764 6.725 3.216 181 H ILE 24 HN ILE 24 9.074 0.556 0.549 182 HA ILE 24 HA ILE 24 9.187 2.289 -1.815 183 HB ILE 24 HB ILE 24 7.978 0.620 -2.988 184 1HG1 ILE 24 2HG1 ILE 24 7.764 -0.938 -0.394 185 2HG1 ILE 24 3HG1 ILE 24 6.460 -0.032 -1.135 186 1HG2 ILE 24 1HG2 ILE 24 10.545 0.239 -1.964 187 2HG2 ILE 24 2HG2 ILE 24 9.736 -1.332 -1.753 188 3HG2 ILE 24 3HG2 ILE 24 9.811 -0.579 -3.364 189 1HD1 ILE 24 1HD1 ILE 24 7.281 -1.548 -3.276 190 2HD1 ILE 24 2HD1 ILE 24 7.632 -2.650 -1.924 191 3HD1 ILE 24 3HD1 ILE 24 5.982 -2.025 -2.156 192 H ALA 25 HN ALA 25 7.050 3.057 -2.656 193 HA ALA 25 HA ALA 25 5.706 4.548 -0.831 194 1HB ALA 25 1HB ALA 25 5.657 4.616 -3.386 195 2HB ALA 25 2HB ALA 25 4.420 3.340 -3.302 196 3HB ALA 25 3HB ALA 25 4.110 4.931 -2.566 197 H LYS 26 HN LYS 26 5.150 1.134 -1.772 198 HA LYS 26 HA LYS 26 2.670 0.831 -0.539 199 1HB LYS 26 2HB LYS 26 4.806 -1.290 -0.876 200 2HB LYS 26 3HB LYS 26 3.078 -1.536 -0.730 201 1HG LYS 26 2HG LYS 26 3.972 0.302 -2.927 202 2HG LYS 26 3HG LYS 26 4.366 -1.394 -3.129 203 1HD LYS 26 2HD LYS 26 1.628 -1.174 -2.188 204 2HD LYS 26 3HD LYS 26 1.838 -0.111 -3.565 205 1HE LYS 26 2HE LYS 26 2.824 -2.017 -4.872 206 2HE LYS 26 3HE LYS 26 2.579 -3.077 -3.499 207 1HZ LYS 26 1HZ LYS 26 0.698 -3.336 -4.909 208 2HZ LYS 26 2HZ LYS 26 0.148 -2.443 -3.663 209 H ASN 27 HN ASN 27 6.038 0.366 0.703 210 HA ASN 27 HA ASN 27 4.943 -0.148 3.310 211 1HB ASN 27 2HB ASN 27 7.777 -0.094 2.166 212 2HB ASN 27 3HB ASN 27 7.486 -0.285 3.884 213 1HD2 ASN 27 2HD2 ASN 27 6.233 -3.219 1.221 214 2HD2 ASN 27 1HD2 ASN 27 6.315 -1.550 0.765 215 H CYS 28 HN CYS 28 5.077 2.562 1.611 216 HA CYS 28 HA CYS 28 6.709 4.207 3.306 217 1HB CYS 28 2HB CYS 28 6.524 4.646 0.876 218 2HB CYS 28 3HB CYS 28 4.814 4.980 1.062 219 H ARG 29 HN ARG 29 5.937 5.570 4.961 220 HA ARG 29 HA ARG 29 3.365 4.890 5.942 221 1HB ARG 29 2HB ARG 29 5.706 5.627 7.148 222 2HB ARG 29 3HB ARG 29 4.898 7.182 7.138 223 1HG ARG 29 2HG ARG 29 3.050 5.066 7.971 224 2HG ARG 29 3HG ARG 29 4.489 5.054 8.972 225 1HD ARG 29 2HD ARG 29 4.047 7.140 9.888 226 2HD ARG 29 3HD ARG 29 3.328 7.760 8.415 227 HE ARG 29 HE ARG 29 1.226 6.906 9.076 228 1HH1 ARG 29 2HH2 ARG 29 3.757 5.714 11.250 229 2HH1 ARG 29 1HH2 ARG 29 2.637 5.092 12.416 230 HH2 ARG 29 HH1 ARG 29 0.284 5.321 12.019 231 H ALA 30 HN ALA 30 4.884 7.531 4.125 232 HA ALA 30 HA ALA 30 3.052 9.561 4.657 233 1HB ALA 30 2HB ALA 30 5.267 9.006 2.870 234 2HB ALA 30 3HB ALA 30 3.956 9.824 1.988 235 3HB ALA 30 1HB ALA 30 4.650 10.573 3.445 236 HA PRO 31 HA PRO 31 -0.439 8.366 2.402 237 1HB PRO 31 2HB PRO 31 -1.546 10.772 1.726 238 2HB PRO 31 3HB PRO 31 -1.711 10.054 3.315 239 1HG PRO 31 2HG PRO 31 -0.003 12.314 2.471 240 2HG PRO 31 3HG PRO 31 -0.504 11.861 4.088 241 1HD PRO 31 2HD PRO 31 2.068 11.413 2.900 242 2HD PRO 31 3HD PRO 31 1.529 10.859 4.473 243 H ARG 32 HN ARG 32 -1.518 8.119 0.351 244 HA ARG 32 HA ARG 32 0.322 7.888 -1.652 245 1HB ARG 32 2HB ARG 32 -2.695 8.274 -1.986 246 2HB ARG 32 3HB ARG 32 -1.627 7.497 -3.137 247 1HG ARG 32 2HG ARG 32 -1.560 6.394 -0.352 248 2HG ARG 32 3HG ARG 32 -3.051 6.135 -1.236 249 1HD ARG 32 2HD ARG 32 -1.876 4.268 -1.963 250 2HD ARG 32 3HD ARG 32 -1.365 5.400 -3.199 251 HE ARG 32 HE ARG 32 0.798 5.180 -2.375 252 1HH1 ARG 32 2HH2 ARG 32 -1.450 4.580 0.297 253 2HH1 ARG 32 1HH2 ARG 32 -0.194 4.242 1.442 254 HH2 ARG 32 HH1 ARG 32 2.094 4.340 0.737 255 H LYS 33 HN LYS 33 1.478 9.605 -2.506 256 HA LYS 33 HA LYS 33 -0.101 11.858 -3.499 257 1HB LYS 33 2HB LYS 33 2.232 11.960 -1.607 258 2HB LYS 33 3HB LYS 33 1.998 13.257 -2.762 259 1HG LYS 33 2HG LYS 33 -0.134 13.845 -1.864 260 2HG LYS 33 3HG LYS 33 -0.324 12.303 -1.053 261 1HD LYS 33 2HD LYS 33 0.277 13.661 0.750 262 2HD LYS 33 3HD LYS 33 1.847 13.036 0.283 263 1HE LYS 33 2HE LYS 33 2.550 15.179 0.025 264 2HE LYS 33 3HE LYS 33 1.486 15.311 -1.361 265 1HZ LYS 33 1HZ LYS 33 0.304 16.782 -0.166 266 2HZ LYS 33 2HZ LYS 33 -0.121 15.616 0.887 267 H LYS 34 HN LYS 34 1.756 13.309 -4.813 268 HA LYS 34 HA LYS 34 3.504 11.519 -6.258 269 1HB LYS 34 2HB LYS 34 2.530 12.100 -8.455 270 2HB LYS 34 3HB LYS 34 1.455 11.135 -7.464 271 1HG LYS 34 2HG LYS 34 0.081 13.032 -6.909 272 2HG LYS 34 3HG LYS 34 1.285 14.173 -7.472 273 1HD LYS 34 2HD LYS 34 0.727 13.888 -9.706 274 2HD LYS 34 3HD LYS 34 0.321 12.195 -9.504 275 1HE LYS 34 2HE LYS 34 -1.789 13.196 -9.877 276 2HE LYS 34 3HE LYS 34 -1.738 13.043 -8.132 277 1HZ LYS 34 1HZ LYS 34 -0.589 15.465 -8.546 278 2HZ LYS 34 2HZ LYS 34 -1.714 15.444 -9.723 279 H GLY 35 HN GLY 35 4.464 13.320 -4.572 280 1HA GLY 35 1HA GLY 35 4.816 15.872 -5.962 281 2HA GLY 35 2HA GLY 35 5.286 15.478 -4.321 282 H CYS 36 HN CYS 36 6.634 16.381 -7.110 283 HA CYS 36 HA CYS 36 8.506 14.428 -7.725 284 1HB CYS 36 2HB CYS 36 8.076 16.255 -9.244 285 2HB CYS 36 3HB CYS 36 8.593 17.441 -8.061 286 H TRP 37 HN TRP 37 10.183 13.644 -6.495 287 HA TRP 37 HA TRP 37 10.861 15.028 -4.057 288 1HB TRP 37 2HB TRP 37 12.499 12.726 -4.671 289 2HB TRP 37 3HB TRP 37 11.430 13.023 -3.314 290 HD1 TRP 37 HD1 TRP 37 8.682 12.441 -3.891 291 HE1 TRP 37 HE1 TRP 37 7.601 10.466 -5.266 292 HE3 TRP 37 HE3 TRP 37 12.881 11.267 -6.506 293 HZ2 TRP 37 HZ2 TRP 37 8.602 8.674 -7.249 294 HZ3 TRP 37 HZ3 TRP 37 12.745 9.392 -8.142 295 HH2 TRP 37 HH2 TRP 37 10.698 8.112 -8.533 296 H LYS 38 HN LYS 38 11.404 16.401 -6.608 297 HA LYS 38 HA LYS 38 14.320 16.551 -6.351 298 1HB LYS 38 2HB LYS 38 13.081 15.449 -8.541 299 2HB LYS 38 3HB LYS 38 13.245 17.122 -9.036 300 1HG LYS 38 2HG LYS 38 15.652 15.944 -7.708 301 2HG LYS 38 3HG LYS 38 15.243 15.250 -9.264 302 1HD LYS 38 2HD LYS 38 16.142 17.046 -10.312 303 2HD LYS 38 3HD LYS 38 14.969 18.093 -9.537 304 1HE LYS 38 2HE LYS 38 16.427 18.689 -7.798 305 2HE LYS 38 3HE LYS 38 17.334 17.193 -7.896 306 1HZ LYS 38 1HZ LYS 38 18.665 18.937 -8.831 307 2HZ LYS 38 2HZ LYS 38 18.196 18.015 -10.087 308 H CYS 39 HN CYS 39 11.265 18.139 -7.469 309 HA CYS 39 HA CYS 39 12.539 20.691 -6.809 310 1HB CYS 39 2HB CYS 39 10.711 21.689 -8.241 311 2HB CYS 39 3HB CYS 39 11.906 20.733 -9.095 312 H GLY 40 HN GLY 40 9.804 18.453 -6.303 313 1HA GLY 40 1HA GLY 40 8.674 18.312 -4.261 314 2HA GLY 40 2HA GLY 40 9.044 19.991 -3.923 315 H LYS 41 HN LYS 41 8.017 19.240 -7.198 316 HA LYS 41 HA LYS 41 5.540 20.674 -6.673 317 1HB LYS 41 2HB LYS 41 7.433 20.813 -8.704 318 2HB LYS 41 3HB LYS 41 6.111 19.935 -9.447 319 1HG LYS 41 2HG LYS 41 4.542 21.697 -9.020 320 2HG LYS 41 3HG LYS 41 5.585 22.459 -7.834 321 1HD LYS 41 2HD LYS 41 6.892 22.211 -10.469 322 2HD LYS 41 3HD LYS 41 5.402 23.129 -10.556 323 1HE LYS 41 2HE LYS 41 6.385 24.331 -8.374 324 2HE LYS 41 3HE LYS 41 7.914 23.735 -8.986 325 1HZ LYS 41 1HZ LYS 41 6.483 25.952 -9.903 326 2HZ LYS 41 2HZ LYS 41 7.894 25.387 -10.486 327 H GLU 42 HN GLU 42 3.593 19.683 -6.529 328 HA GLU 42 HA GLU 42 3.584 16.838 -6.891 329 1HB GLU 42 2HB GLU 42 1.404 16.911 -5.788 330 2HB GLU 42 3HB GLU 42 2.541 17.894 -4.887 331 1HG GLU 42 2HG GLU 42 1.532 19.770 -6.638 332 2HG GLU 42 3HG GLU 42 0.138 18.725 -6.452 333 HE2 GLU 42 HE2 GLU 42 -0.583 20.616 -5.520 334 H GLY 43 HN GLY 43 2.918 15.832 -8.738 335 1HA GLY 43 1HA GLY 43 0.829 15.900 -10.229 336 2HA GLY 43 2HA GLY 43 1.464 17.459 -10.718 337 H HIS 44 HN HIS 44 4.239 17.018 -10.801 338 HA HIS 44 HA HIS 44 4.364 15.097 -12.996 339 1HB HIS 44 2HB HIS 44 6.090 16.380 -13.928 340 2HB HIS 44 3HB HIS 44 4.905 17.544 -13.370 341 HD1 HIS 44 HD1 HIS 44 5.679 19.306 -11.718 342 HD2 HIS 44 HD2 HIS 44 8.448 16.191 -12.196 343 HE1 HIS 44 HE1 HIS 44 7.789 20.027 -10.475 344 H GLN 45 HN GLN 45 6.843 14.257 -13.208 345 HA GLN 45 HA GLN 45 7.617 13.415 -10.527 346 1HB GLN 45 2HB GLN 45 8.105 11.163 -11.391 347 2HB GLN 45 3HB GLN 45 6.421 11.568 -11.664 348 1HG GLN 45 2HG GLN 45 7.540 12.512 -13.996 349 2HG GLN 45 3HG GLN 45 8.625 11.181 -13.643 350 1HE2 GLN 45 2HE2 GLN 45 6.486 8.902 -15.107 351 2HE2 GLN 45 1HE2 GLN 45 8.073 9.560 -14.889 352 H MET 46 HN MET 46 9.946 12.780 -10.342 353 HA MET 46 HA MET 46 11.597 14.669 -11.357 354 1HB MET 46 2HB MET 46 12.119 13.151 -9.438 355 2HB MET 46 3HB MET 46 12.224 11.781 -10.526 356 1HG MET 46 2HG MET 46 14.124 12.970 -11.740 357 2HG MET 46 3HG MET 46 14.068 14.219 -10.512 358 1HE MET 46 2HE MET 46 14.647 10.637 -11.445 359 2HE MET 46 3HE MET 46 16.261 11.388 -11.418 360 3HE MET 46 1HE MET 46 15.867 10.084 -10.273 361 H LYS 47 HN LYS 47 10.859 11.397 -12.683 362 HA LYS 47 HA LYS 47 12.793 11.356 -14.666 363 1HB LYS 47 2HB LYS 47 11.553 9.384 -14.018 364 2HB LYS 47 3HB LYS 47 10.040 10.097 -14.537 365 1HG LYS 47 2HG LYS 47 10.737 10.090 -16.870 366 2HG LYS 47 3HG LYS 47 12.384 9.673 -16.441 367 1HD LYS 47 2HD LYS 47 11.562 7.573 -17.048 368 2HD LYS 47 3HD LYS 47 11.272 7.541 -15.320 369 1HE LYS 47 2HE LYS 47 9.067 7.205 -15.730 370 2HE LYS 47 3HE LYS 47 8.981 8.805 -16.441 371 1HZ LYS 47 1HZ LYS 47 8.986 6.271 -17.769 372 2HZ LYS 47 2HZ LYS 47 8.544 7.725 -18.354 373 H ASP 48 HN ASP 48 9.578 12.932 -14.516 374 HA ASP 48 HA ASP 48 10.173 14.032 -17.149 375 1HB ASP 48 2HB ASP 48 7.877 12.705 -16.249 376 2HB ASP 48 3HB ASP 48 7.424 14.391 -16.108 377 HD2 ASP 48 HD2 ASP 48 6.019 14.416 -17.968 378 H CYS 49 HN CYS 49 11.295 15.022 -14.622 379 HA CYS 49 HA CYS 49 9.863 16.978 -13.369 380 1HB CYS 49 2HB CYS 49 12.103 16.132 -12.678 381 2HB CYS 49 3HB CYS 49 12.835 17.045 -13.982 382 H THR 50 HN THR 50 8.762 18.667 -14.304 383 HA THR 50 HA THR 50 9.659 19.684 -16.867 384 HB THR 50 HB THR 50 7.244 19.147 -16.349 385 HG1 THR 50 HG1 THR 50 8.138 20.956 -17.799 386 1HG2 THR 50 2HG2 THR 50 7.658 21.452 -14.382 387 2HG2 THR 50 3HG2 THR 50 6.056 21.015 -15.023 388 3HG2 THR 50 1HG2 THR 50 6.970 19.847 -14.038 389 H GLU 51 HN GLU 51 10.785 20.145 -13.843 390 HA GLU 51 HA GLU 51 10.755 23.006 -13.875 391 1HB GLU 51 2HB GLU 51 10.647 21.648 -11.755 392 2HB GLU 51 3HB GLU 51 12.280 21.089 -12.057 393 1HG GLU 51 2HG GLU 51 12.408 23.915 -12.321 394 2HG GLU 51 3HG GLU 51 11.383 23.635 -10.928 395 HE2 GLU 51 HE2 GLU 51 12.776 24.100 -9.433 396 H ARG 52 HN ARG 52 13.350 20.447 -13.900 397 HA ARG 52 HA ARG 52 15.372 20.449 -14.667 398 1HB ARG 52 2HB ARG 52 14.021 22.120 -16.832 399 2HB ARG 52 3HB ARG 52 15.699 21.634 -16.971 400 1HG ARG 52 2HG ARG 52 14.364 19.257 -16.244 401 2HG ARG 52 3HG ARG 52 13.258 20.037 -17.358 402 1HD ARG 52 2HD ARG 52 14.559 19.429 -19.116 403 2HD ARG 52 3HD ARG 52 15.916 20.312 -18.445 404 HE ARG 52 HE ARG 52 15.393 17.419 -18.171 405 1HH1 ARG 52 2HH2 ARG 52 17.295 20.194 -17.057 406 2HH1 ARG 52 1HH2 ARG 52 18.566 19.216 -16.400 407 HH2 ARG 52 HH1 ARG 52 18.411 16.830 -16.557 408 H GLN 53 HN GLN 53 16.664 21.525 -13.143 409 HA GLN 53 HA GLN 53 17.752 23.976 -13.916 410 1HB GLN 53 2HB GLN 53 15.371 24.174 -12.310 411 2HB GLN 53 3HB GLN 53 16.725 24.661 -11.310 412 1HG GLN 53 2HG GLN 53 17.259 25.890 -13.786 413 2HG GLN 53 3HG GLN 53 15.520 26.036 -13.623 414 1HE2 GLN 53 2HE2 GLN 53 15.879 28.874 -11.684 415 2HE2 GLN 53 1HE2 GLN 53 15.182 28.056 -13.042 416 H ALA 54 HN ALA 54 16.958 21.998 -10.969 417 HA ALA 54 HA ALA 54 18.291 20.893 -9.575 418 1HB ALA 54 3HB ALA 54 19.883 21.109 -11.939 419 2HB ALA 54 1HB ALA 54 20.940 21.444 -10.547 420 3HB ALA 54 2HB ALA 54 20.023 19.921 -10.620 421 H ASN 55 HN ASN 55 20.158 23.804 -10.716 422 HA ASN 55 HA ASN 55 20.919 25.537 -9.661 423 1HB ASN 55 2HB ASN 55 18.618 25.979 -8.904 424 2HB ASN 55 3HB ASN 55 18.772 24.817 -7.601 425 1HD2 ASN 55 2HD2 ASN 55 19.240 27.809 -5.735 426 2HD2 ASN 55 1HD2 ASN 55 18.061 26.700 -6.353 427 1H5* G 201 1H5* G 201 -0.586 -18.854 -4.129 428 2H5* G 201 2H5* G 201 0.538 -17.719 -3.383 429 H4* G 201 H4* G 201 0.564 -20.142 -2.573 430 H3* G 201 H3* G 201 3.209 -18.953 -3.499 431 1H2* G 201 1H2* G 201 4.144 -20.627 -2.179 432 2HO* G 201 2HO* G 201 1.555 -20.647 -0.915 433 H1* G 201 H1* G 201 2.092 -22.529 -2.510 434 H8 G 201 H8 G 201 3.510 -20.444 -5.392 435 H1 G 201 H1 G 201 5.852 -26.457 -4.904 436 1H2 G 201 1H2 G 201 5.079 -27.363 -3.220 437 2H2 G 201 2H2 G 201 3.962 -26.606 -2.107 438 1H5* G 202 1H5* G 202 3.179 -18.586 0.317 439 2H5* G 202 2H5* G 202 3.910 -17.300 1.277 440 H4* G 202 H4* G 202 5.217 -19.124 1.806 441 H3* G 202 H3* G 202 6.602 -17.709 -0.486 442 1H2* G 202 1H2* G 202 8.456 -19.122 -0.107 443 2HO* G 202 2HO* G 202 7.557 -20.512 2.056 444 H1* G 202 H1* G 202 6.888 -21.432 0.271 445 H8 G 202 H8 G 202 6.164 -18.856 -2.466 446 H1 G 202 H1 G 202 9.420 -24.107 -4.393 447 1H2 G 202 1H2 G 202 9.840 -25.294 -2.760 448 2H2 G 202 2H2 G 202 9.380 -24.922 -1.113 449 1H5* A 203 1H5* A 203 9.458 -18.383 2.618 450 2H5* A 203 2H5* A 203 10.221 -16.820 2.908 451 H4* A 203 H4* A 203 11.935 -18.456 2.631 452 H3* A 203 H3* A 203 11.674 -16.387 0.527 453 1H2* A 203 1H2* A 203 13.063 -17.441 -0.997 454 2HO* A 203 2HO* A 203 14.651 -17.632 0.710 455 H1* A 203 H1* A 203 12.390 -20.119 -0.155 456 H8 A 203 H8 A 203 9.755 -17.591 -1.223 457 1H6 A 203 1H6 A 203 9.953 -20.402 -6.792 458 2H6 A 203 2H6 A 203 9.127 -19.183 -5.847 459 H2 A 203 H2 A 203 13.128 -22.165 -4.231 460 1H5* C 204 1H5* C 204 16.167 -16.400 1.138 461 2H5* C 204 2H5* C 204 16.642 -14.827 0.496 462 H4* C 204 H4* C 204 17.398 -16.892 -0.782 463 H3* C 204 H3* C 204 16.008 -14.560 -2.093 464 1H2* C 204 1H2* C 204 16.164 -15.601 -4.156 465 2HO* C 204 2HO* C 204 17.935 -17.153 -4.408 466 H1* C 204 H1* C 204 16.074 -18.286 -3.079 467 1H4 C 204 1H4 C 204 10.544 -17.763 -6.199 468 2H4 C 204 2H4 C 204 9.983 -16.588 -5.030 469 H5 C 204 H5 C 204 11.310 -15.749 -3.266 470 H6 C 204 H6 C 204 13.524 -15.832 -2.178 471 1H5* U 205 1H5* U 205 20.085 -14.726 -3.338 472 2H5* U 205 2H5* U 205 20.890 -13.261 -3.900 473 H4* U 205 H4* U 205 20.725 -14.802 -5.724 474 H3* U 205 H3* U 205 18.894 -12.414 -5.955 475 1H2* U 205 1H2* U 205 18.217 -13.142 -8.062 476 2HO* U 205 2HO* U 205 19.827 -13.980 -9.279 477 H1* U 205 H1* U 205 18.431 -15.939 -7.381 478 H3 U 205 H3 U 205 14.104 -15.787 -8.644 479 H5 U 205 H5 U 205 14.190 -13.391 -5.210 480 H6 U 205 H6 U 205 16.629 -13.651 -5.209 481 1H5* A 206 1H5* A 206 21.227 -12.203 -8.872 482 2H5* A 206 2H5* A 206 22.059 -10.808 -9.558 483 H4* A 206 H4* A 206 20.479 -11.291 -11.167 484 H3* A 206 H3* A 206 19.079 -9.281 -9.365 485 1H2* A 206 1H2* A 206 17.526 -9.095 -11.080 486 2HO* A 206 2HO* A 206 18.603 -10.118 -13.224 487 H1* A 206 H1* A 206 17.893 -11.775 -12.054 488 H8 A 206 H8 A 206 17.157 -11.024 -8.394 489 1H6 A 206 1H6 A 206 11.218 -12.346 -9.784 490 2H6 A 206 2H6 A 206 12.315 -11.958 -8.478 491 H2 A 206 H2 A 206 13.575 -12.414 -13.550 492 1H5* G 207 1H5* G 207 20.122 -7.677 -12.713 493 2H5* G 207 2H5* G 207 20.130 -5.970 -13.156 494 H4* G 207 H4* G 207 18.159 -7.066 -14.033 495 H3* G 207 H3* G 207 17.430 -5.210 -11.734 496 1H2* G 207 1H2* G 207 15.275 -5.420 -12.515 497 2HO* G 207 2HO* G 207 16.532 -5.962 -15.050 498 H1* G 207 H1* G 207 15.710 -7.891 -13.966 499 H8 G 207 H8 G 207 16.374 -7.583 -10.238 500 H1 G 207 H1 G 207 10.529 -9.898 -11.773 501 1H2 G 207 1H2 G 207 10.257 -9.781 -13.814 502 2H2 G 207 2H2 G 207 11.436 -9.149 -14.942 503 1H5* C 208 1H5* C 208 18.092 -2.035 -15.249 504 2H5* C 208 2H5* C 208 17.602 -0.472 -14.596 505 H4* C 208 H4* C 208 16.042 -1.483 -16.279 506 H3* C 208 H3* C 208 15.164 -0.543 -13.583 507 1H2* C 208 1H2* C 208 12.959 -1.270 -13.924 508 2HO* C 208 2HO* C 208 13.111 -0.393 -16.122 509 H1* C 208 H1* C 208 13.772 -3.691 -15.223 510 1H4 C 208 1H4 C 208 11.954 -5.698 -9.460 511 2H4 C 208 2H4 C 208 13.306 -4.867 -8.725 512 H5 C 208 H5 C 208 14.821 -3.505 -9.920 513 H6 C 208 H6 C 208 15.418 -2.598 -12.138 514 1H5* G 209 1H5* G 209 12.773 1.559 -15.920 515 2H5* G 209 2H5* G 209 12.390 3.230 -15.508 516 H4* G 209 H4* G 209 10.508 1.685 -15.138 517 H3* G 209 H3* G 209 11.637 3.142 -12.743 518 1H2* G 209 1H2* G 209 9.966 2.228 -11.425 519 2HO* G 209 2HO* G 209 8.638 1.748 -13.936 520 H1* G 209 H1* G 209 9.688 -0.179 -12.997 521 H8 G 209 H8 G 209 13.022 0.936 -11.542 522 H1 G 209 H1 G 209 9.771 -3.345 -7.937 523 1H2 G 209 1H2 G 209 7.908 -3.666 -8.761 524 2H2 G 209 2H2 G 209 7.315 -2.890 -10.213 525 1H5* G 210 1H5* G 210 10.755 7.042 -11.674 526 2H5* G 210 2H5* G 210 10.714 5.283 -11.785 527 H4* G 210 H4* G 210 8.511 5.184 -11.404 528 H3* G 210 H3* G 210 8.300 6.962 -13.638 529 1H2* G 210 1H2* G 210 7.409 8.786 -12.606 530 2HO* G 210 2HO* G 210 5.346 7.719 -11.306 531 H1* G 210 H1* G 210 6.922 7.681 -9.933 532 H8 G 210 H8 G 210 10.121 8.917 -11.665 533 H1 G 210 H1 G 210 7.893 12.672 -6.887 534 1H2 G 210 1H2 G 210 6.138 11.880 -6.150 535 2H2 G 210 2H2 G 210 5.382 10.415 -6.738 536 1H5* A 211 1H5* A 211 8.135 3.594 -10.281 537 2H5* A 211 2H5* A 211 7.890 1.962 -10.901 538 H4* A 211 H4* A 211 6.795 2.081 -8.807 539 H3* A 211 H3* A 211 5.041 1.921 -11.187 540 1H2* A 211 1H2* A 211 3.683 3.428 -9.936 541 2HO* A 211 2HO* A 211 2.690 1.396 -10.370 542 H1* A 211 H1* A 211 4.380 1.918 -7.388 543 H8 A 211 H8 A 211 4.586 5.513 -8.736 544 1H6 A 211 1H6 A 211 1.386 7.068 -3.609 545 2H6 A 211 2H6 A 211 2.142 7.700 -5.053 546 H2 A 211 H2 A 211 1.978 2.664 -3.595 547 1H5* G 212 1H5* G 212 3.249 -3.148 -10.031 548 2H5* G 212 2H5* G 212 2.550 -2.776 -8.456 549 H4* G 212 H4* G 212 5.280 -3.513 -9.177 550 H3* G 212 H3* G 212 3.428 -3.929 -6.954 551 1H2* G 212 1H2* G 212 4.713 -2.861 -5.401 552 2HO* G 212 2HO* G 212 5.811 -4.661 -4.873 553 H1* G 212 H1* G 212 7.114 -2.610 -7.190 554 H8 G 212 H8 G 212 4.177 -0.522 -5.850 555 H1 G 212 H1 G 212 10.056 2.063 -5.052 556 1H2 G 212 1H2 G 212 11.476 0.810 -5.868 557 2H2 G 212 2H2 G 212 11.126 -0.714 -6.652 558 1H5* G 213 1H5* G 213 3.956 -4.953 -9.565 559 2H5* G 213 2H5* G 213 2.216 -4.831 -9.304 560 H4* G 213 H4* G 213 1.704 -6.049 -11.151 561 H3* G 213 H3* G 213 3.802 -7.847 -10.312 562 1H2* G 213 1H2* G 213 4.971 -8.116 -12.303 563 2HO* G 213 2HO* G 213 3.076 -6.735 -13.856 564 H1* G 213 H1* G 213 4.927 -5.536 -13.234 565 H8 G 213 H8 G 213 5.162 -6.572 -9.539 566 H1 G 213 H1 G 213 10.603 -4.239 -12.154 567 1H2 G 213 1H2 G 213 10.272 -3.777 -14.136 568 2H2 G 213 2H2 G 213 8.747 -3.990 -14.966 569 1H5* C 214 1H5* C 214 2.015 -9.367 -13.535 570 2H5* C 214 2H5* C 214 1.705 -11.084 -13.793 571 H4* C 214 H4* C 214 3.285 -10.379 -15.422 572 H3* C 214 H3* C 214 4.583 -12.008 -13.225 573 1H2* C 214 1H2* C 214 6.533 -12.073 -14.531 574 2HO* C 214 2HO* C 214 6.215 -12.120 -16.703 575 H1* C 214 H1* C 214 6.462 -9.434 -15.376 576 1H4 C 214 1H4 C 214 9.907 -8.886 -10.059 577 2H4 C 214 2H4 C 214 8.545 -9.394 -9.086 578 H5 C 214 H5 C 214 6.458 -10.043 -9.982 579 H6 C 214 H6 C 214 5.151 -10.367 -12.051 580 1H5* U 215 1H5* U 215 5.004 -13.796 -16.504 581 2H5* U 215 2H5* U 215 5.171 -15.532 -16.775 582 H4* U 215 H4* U 215 7.273 -14.367 -17.157 583 H3* U 215 H3* U 215 7.330 -16.139 -14.688 584 1H2* U 215 1H2* U 215 9.588 -15.754 -14.656 585 2HO* U 215 2HO* U 215 9.293 -15.463 -17.507 586 H1* U 215 H1* U 215 9.744 -13.396 -16.208 587 H3 U 215 H3 U 215 11.264 -11.700 -12.339 588 H5 U 215 H5 U 215 7.330 -12.784 -11.398 589 H6 U 215 H6 U 215 7.165 -13.754 -13.644 590 1H5* A 216 1H5* A 216 9.233 -17.838 -17.672 591 2H5* A 216 2H5* A 216 9.574 -19.552 -17.905 592 H4* A 216 H4* A 216 11.598 -18.301 -17.383 593 H3* A 216 H3* A 216 10.677 -20.398 -15.445 594 1H2* A 216 1H2* A 216 12.295 -19.830 -13.920 595 2HO* A 216 2HO* A 216 14.329 -19.583 -14.777 596 H1* A 216 H1* A 216 12.694 -17.127 -14.999 597 H8 A 216 H8 A 216 9.445 -18.203 -13.383 598 1H6 A 216 1H6 A 216 11.617 -15.522 -8.182 599 2H6 A 216 2H6 A 216 10.218 -16.282 -8.907 600 H2 A 216 H2 A 216 14.860 -15.496 -11.219 601 1H5* G 217 1H5* G 217 14.364 -21.301 -16.356 602 2H5* G 217 2H5* G 217 14.998 -22.939 -16.190 603 H4* G 217 H4* G 217 15.806 -21.783 -14.326 604 H3* G 217 H3* G 217 13.303 -23.212 -13.349 605 1H2* G 217 1H2* G 217 14.241 -22.917 -11.222 606 2HO* G 217 2HO* G 217 16.384 -23.286 -11.173 607 H1* G 217 H1* G 217 15.464 -20.407 -11.989 608 H8 G 217 H8 G 217 11.745 -21.094 -12.398 609 H1 G 217 H1 G 217 13.357 -17.974 -6.962 610 1H2 G 217 1H2 G 217 15.411 -17.884 -6.802 611 2H2 G 217 2H2 G 217 16.530 -18.554 -7.968 612 1H5* U 218 1H5* U 218 16.542 -25.486 -12.312 613 2H5* U 218 2H5* U 218 16.393 -27.201 -11.934 614 H4* U 218 H4* U 218 16.968 -26.126 -9.920 615 H3* U 218 H3* U 218 13.986 -26.687 -9.932 616 1H2* U 218 1H2* U 218 14.019 -26.204 -7.632 617 2HO* U 218 2HO* U 218 16.382 -26.003 -6.786 618 H1* U 218 H1* U 218 15.877 -24.076 -7.882 619 H3 U 218 H3 U 218 12.322 -21.647 -6.608 620 H5 U 218 H5 U 218 11.092 -23.239 -10.281 621 H6 U 218 H6 U 218 13.188 -24.514 -10.318 622 1H5* C 219 1H5* C 219 15.732 -28.893 -7.356 623 2H5* C 219 2H5* C 219 15.471 -30.594 -6.970 624 H4* C 219 H4* C 219 14.909 -29.626 -4.981 625 H3* C 219 H3* C 219 12.332 -29.700 -6.564 626 1H2* C 219 1H2* C 219 11.213 -28.935 -4.643 627 2HO* C 219 2HO* C 219 13.723 -29.509 -3.348 628 H1* C 219 H1* C 219 13.197 -27.091 -3.896 629 1H4 C 219 1H4 C 219 9.125 -23.391 -7.089 630 2H4 C 219 2H4 C 219 9.464 -24.251 -8.573 631 H5 C 219 H5 C 219 10.901 -26.121 -8.712 632 H6 C 219 H6 C 219 12.380 -27.641 -7.446 633 1H5* C 220 1H5* C 220 11.731 -32.288 -3.541 634 2H5* C 220 2H5* C 220 11.097 -33.907 -3.836 635 H4* C 220 H4* C 220 9.471 -33.036 -2.481 636 H3* C 220 H3* C 220 8.627 -32.473 -5.319 637 1H2* C 220 1H2* C 220 6.608 -31.548 -4.513 638 2HO* C 220 2HO* C 220 6.054 -32.001 -2.303 639 H1* C 220 H1* C 220 7.812 -30.048 -2.491 640 1H4 C 220 1H4 C 220 7.649 -25.817 -7.235 641 2H4 C 220 2H4 C 220 8.741 -26.798 -8.187 642 H5 C 220 H5 C 220 9.559 -28.904 -7.499 643 H6 C 220 H6 C 220 9.530 -30.605 -5.709 No H/Q in entry = 643 Start of MODEL 6 1 H MET 1 HN MET 1 5.033 -11.684 6.871 2 HA MET 1 HA MET 1 6.377 -9.288 6.771 3 1HB MET 1 2HB MET 1 7.929 -11.724 5.883 4 2HB MET 1 3HB MET 1 8.054 -10.305 4.862 5 1HG MET 1 2HG MET 1 9.715 -9.667 6.305 6 2HG MET 1 3HG MET 1 8.400 -9.160 7.347 7 1HE MET 1 3HE MET 1 10.602 -9.405 8.902 8 2HE MET 1 1HE MET 1 9.117 -9.674 9.846 9 3HE MET 1 2HE MET 1 10.521 -10.747 10.069 10 H GLN 2 HN GLN 2 6.066 -12.088 4.458 11 HA GLN 2 HA GLN 2 4.990 -12.318 2.588 12 1HB GLN 2 2HB GLN 2 3.097 -10.286 3.841 13 2HB GLN 2 3HB GLN 2 2.746 -11.112 2.337 14 1HG GLN 2 2HG GLN 2 3.535 -12.745 4.762 15 2HG GLN 2 3HG GLN 2 1.903 -12.113 4.656 16 1HE2 GLN 2 2HE2 GLN 2 2.522 -15.566 3.021 17 2HE2 GLN 2 1HE2 GLN 2 3.193 -14.849 4.447 18 H LYS 3 HN LYS 3 4.705 -11.407 0.411 19 HA LYS 3 HA LYS 3 4.986 -9.908 -1.215 20 1HB LYS 3 2HB LYS 3 4.206 -8.240 0.732 21 2HB LYS 3 3HB LYS 3 5.856 -7.674 0.563 22 1HG LYS 3 2HG LYS 3 5.396 -6.648 -1.414 23 2HG LYS 3 3HG LYS 3 4.664 -8.098 -2.072 24 1HD LYS 3 2HD LYS 3 3.104 -6.532 -0.016 25 2HD LYS 3 3HD LYS 3 3.224 -5.872 -1.635 26 1HE LYS 3 2HE LYS 3 1.609 -7.297 -2.341 27 2HE LYS 3 3HE LYS 3 2.631 -8.662 -1.935 28 1HZ LYS 3 1HZ LYS 3 0.443 -8.587 -0.733 29 2HZ LYS 3 2HZ LYS 3 1.723 -8.703 0.267 30 H GLY 4 HN GLY 4 6.777 -11.639 -1.309 31 1HA GLY 4 1HA GLY 4 9.371 -11.139 -0.416 32 2HA GLY 4 2HA GLY 4 8.914 -12.150 -1.772 33 H ASN 5 HN ASN 5 7.488 -9.684 -3.028 34 HA ASN 5 HA ASN 5 9.518 -9.003 -4.738 35 1HB ASN 5 2HB ASN 5 6.817 -8.603 -4.695 36 2HB ASN 5 3HB ASN 5 7.328 -6.990 -4.240 37 1HD2 ASN 5 2HD2 ASN 5 7.357 -6.344 -7.685 38 2HD2 ASN 5 1HD2 ASN 5 6.528 -6.168 -6.174 39 H PHE 6 HN PHE 6 8.521 -7.723 -1.580 40 HA PHE 6 HA PHE 6 9.609 -5.173 -1.727 41 1HB PHE 6 2HB PHE 6 8.135 -5.885 0.097 42 2HB PHE 6 3HB PHE 6 9.150 -7.265 0.467 43 HD1 PHE 6 HD1 PHE 6 9.020 -3.564 0.610 44 HD2 PHE 6 HD2 PHE 6 10.890 -7.095 2.044 45 HE1 PHE 6 HE1 PHE 6 10.203 -2.223 2.371 46 HE2 PHE 6 HE2 PHE 6 12.072 -5.753 3.805 47 HZ PHE 6 HZ PHE 6 11.716 -3.333 3.947 48 H ARG 7 HN ARG 7 11.165 -8.262 -1.769 49 HA ARG 7 HA ARG 7 13.436 -7.710 -0.324 50 1HB ARG 7 2HB ARG 7 12.812 -9.547 -2.660 51 2HB ARG 7 3HB ARG 7 14.460 -9.432 -2.076 52 1HG ARG 7 2HG ARG 7 13.734 -10.075 0.205 53 2HG ARG 7 3HG ARG 7 12.057 -10.092 -0.307 54 1HD ARG 7 2HD ARG 7 12.248 -12.190 -1.177 55 2HD ARG 7 3HD ARG 7 13.687 -11.764 -2.081 56 HE ARG 7 HE ARG 7 14.885 -12.923 -0.459 57 1HH1 ARG 7 2HH2 ARG 7 12.068 -11.456 1.113 58 2HH1 ARG 7 1HH2 ARG 7 12.477 -12.059 2.685 59 HH2 ARG 7 HH1 ARG 7 14.453 -13.386 2.956 60 H ASN 8 HN ASN 8 12.266 -6.264 -3.206 61 HA ASN 8 HA ASN 8 14.502 -5.918 -4.719 62 1HB ASN 8 2HB ASN 8 13.351 -3.723 -5.434 63 2HB ASN 8 3HB ASN 8 12.371 -5.169 -5.577 64 1HD2 ASN 8 2HD2 ASN 8 10.792 -2.151 -3.711 65 2HD2 ASN 8 1HD2 ASN 8 11.898 -2.197 -5.045 66 H GLN 9 HN GLN 9 13.746 -4.752 -1.530 67 HA GLN 9 HA GLN 9 14.994 -2.303 -1.513 68 1HB GLN 9 2HB GLN 9 14.314 -4.382 0.547 69 2HB GLN 9 3HB GLN 9 15.431 -3.120 1.027 70 1HG GLN 9 2HG GLN 9 13.340 -1.793 -0.387 71 2HG GLN 9 3HG GLN 9 12.542 -2.963 0.645 72 1HE2 GLN 9 2HE2 GLN 9 15.111 -0.250 2.462 73 2HE2 GLN 9 1HE2 GLN 9 15.510 -1.016 0.961 74 H ARG 10 HN ARG 10 16.326 -5.437 -2.016 75 HA ARG 10 HA ARG 10 18.748 -5.194 -0.734 76 1HB ARG 10 2HB ARG 10 19.506 -6.983 -2.237 77 2HB ARG 10 3HB ARG 10 17.841 -7.294 -1.786 78 1HG ARG 10 2HG ARG 10 17.161 -6.068 -3.958 79 2HG ARG 10 3HG ARG 10 18.853 -6.126 -4.414 80 1HD ARG 10 2HD ARG 10 18.337 -8.164 -5.322 81 2HD ARG 10 3HD ARG 10 18.427 -8.756 -3.675 82 HE ARG 10 HE ARG 10 15.801 -7.646 -4.368 83 1HH1 ARG 10 2HH2 ARG 10 17.812 -10.564 -4.395 84 2HH1 ARG 10 1HH2 ARG 10 16.460 -11.644 -4.457 85 HH2 ARG 10 HH1 ARG 10 14.239 -10.745 -4.487 86 H LYS 11 HN LYS 11 17.435 -3.365 -3.322 87 HA LYS 11 HA LYS 11 20.133 -2.511 -4.115 88 1HB LYS 11 2HB LYS 11 19.033 -3.732 -5.931 89 2HB LYS 11 3HB LYS 11 17.638 -2.678 -5.831 90 1HG LYS 11 2HG LYS 11 18.833 -0.794 -6.653 91 2HG LYS 11 3HG LYS 11 20.393 -1.479 -6.243 92 1HD LYS 11 2HD LYS 11 20.570 -2.472 -8.277 93 2HD LYS 11 3HD LYS 11 19.018 -3.263 -8.087 94 1HE LYS 11 2HE LYS 11 18.851 -1.840 -10.039 95 2HE LYS 11 3HE LYS 11 17.890 -1.092 -8.779 96 1HZ LYS 11 1HZ LYS 11 20.582 -0.175 -8.651 97 2HZ LYS 11 2HZ LYS 11 19.982 0.083 -10.142 98 H THR 12 HN THR 12 18.757 -1.548 -1.799 99 HA THR 12 HA THR 12 17.761 0.285 -0.921 100 HB THR 12 HB THR 12 20.310 0.682 -1.472 101 HG1 THR 12 HG1 THR 12 18.202 2.664 -1.026 102 1HG2 THR 12 1HG2 THR 12 19.158 1.725 -3.861 103 2HG2 THR 12 2HG2 THR 12 19.580 3.146 -2.875 104 3HG2 THR 12 3HG2 THR 12 20.831 1.953 -3.299 105 H VAL 13 HN VAL 13 16.017 -0.626 -2.807 106 HA VAL 13 HA VAL 13 15.325 0.824 -4.937 107 HB VAL 13 HB VAL 13 12.944 0.366 -4.264 108 1HG1 VAL 13 3HG1 VAL 13 15.136 -1.574 -4.623 109 2HG1 VAL 13 1HG1 VAL 13 13.656 -2.260 -3.909 110 3HG1 VAL 13 2HG1 VAL 13 13.581 -1.421 -5.478 111 1HG2 VAL 13 2HG2 VAL 13 14.336 -0.472 -1.725 112 2HG2 VAL 13 3HG2 VAL 13 12.861 0.502 -1.937 113 3HG2 VAL 13 1HG2 VAL 13 12.819 -1.252 -2.233 114 H LYS 14 HN LYS 14 13.828 2.648 -5.324 115 HA LYS 14 HA LYS 14 14.171 4.671 -3.226 116 1HB LYS 14 2HB LYS 14 14.456 6.274 -4.849 117 2HB LYS 14 3HB LYS 14 15.214 4.891 -5.611 118 1HG LYS 14 2HG LYS 14 12.690 4.483 -6.502 119 2HG LYS 14 3HG LYS 14 12.587 6.214 -6.252 120 1HD LYS 14 2HD LYS 14 15.103 5.648 -7.560 121 2HD LYS 14 3HD LYS 14 13.838 4.802 -8.429 122 1HE LYS 14 2HE LYS 14 12.977 6.740 -9.269 123 2HE LYS 14 3HE LYS 14 12.982 7.517 -7.698 124 1HZ LYS 14 1HZ LYS 14 15.646 7.291 -8.525 125 2HZ LYS 14 2HZ LYS 14 14.818 7.886 -9.795 126 H CYS 15 HN CYS 15 12.396 5.706 -2.364 127 HA CYS 15 HA CYS 15 9.897 4.429 -2.798 128 1HB CYS 15 2HB CYS 15 10.592 5.216 -0.570 129 2HB CYS 15 3HB CYS 15 10.594 6.874 -1.137 130 H PHE 16 HN PHE 16 8.664 4.880 -4.593 131 HA PHE 16 HA PHE 16 9.089 7.288 -6.061 132 1HB PHE 16 2HB PHE 16 7.075 4.965 -6.142 133 2HB PHE 16 3HB PHE 16 7.089 6.230 -7.355 134 HD1 PHE 16 HD1 PHE 16 9.788 6.649 -8.094 135 HD2 PHE 16 HD2 PHE 16 7.931 3.002 -6.972 136 HE1 PHE 16 HE1 PHE 16 11.505 5.371 -9.405 137 HE2 PHE 16 HE2 PHE 16 9.648 1.724 -8.283 138 HZ PHE 16 HZ PHE 16 11.414 2.924 -9.484 139 H ASN 17 HN ASN 17 7.674 6.947 -3.148 140 HA ASN 17 HA ASN 17 5.283 8.429 -3.812 141 1HB ASN 17 2HB ASN 17 5.475 6.430 -2.086 142 2HB ASN 17 3HB ASN 17 6.157 7.629 -1.006 143 1HD2 ASN 17 2HD2 ASN 17 2.882 8.150 0.101 144 2HD2 ASN 17 1HD2 ASN 17 4.448 7.477 0.414 145 H CYS 18 HN CYS 18 8.058 8.528 -1.438 146 HA CYS 18 HA CYS 18 7.666 11.395 -1.189 147 1HB CYS 18 2HB CYS 18 9.219 11.235 0.715 148 2HB CYS 18 3HB CYS 18 7.847 10.162 0.897 149 H GLY 19 HN GLY 19 10.051 8.867 -2.163 150 1HA GLY 19 1HA GLY 19 11.438 9.243 -4.056 151 2HA GLY 19 2HA GLY 19 11.520 10.946 -3.653 152 H LYS 20 HN LYS 20 11.738 8.397 -1.161 153 HA LYS 20 HA LYS 20 14.564 9.127 -0.832 154 1HB LYS 20 2HB LYS 20 12.406 9.322 0.983 155 2HB LYS 20 3HB LYS 20 13.375 7.970 1.534 156 1HG LYS 20 2HG LYS 20 15.434 9.422 1.383 157 2HG LYS 20 3HG LYS 20 14.421 10.774 0.915 158 1HD LYS 20 2HD LYS 20 13.194 9.733 3.249 159 2HD LYS 20 3HD LYS 20 14.913 9.667 3.586 160 1HE LYS 20 2HE LYS 20 14.489 12.186 2.327 161 2HE LYS 20 3HE LYS 20 13.157 11.999 3.451 162 1HZ LYS 20 1HZ LYS 20 15.033 12.969 4.593 163 2HZ LYS 20 2HZ LYS 20 14.837 11.465 5.189 164 H GLU 21 HN GLU 21 16.096 7.490 -0.648 165 HA GLU 21 HA GLU 21 15.156 4.944 -1.572 166 1HB GLU 21 2HB GLU 21 17.793 6.349 -1.372 167 2HB GLU 21 3HB GLU 21 17.842 4.599 -1.292 168 1HG GLU 21 2HG GLU 21 17.458 4.415 -3.521 169 2HG GLU 21 3HG GLU 21 16.017 5.407 -3.409 170 HE1 GLU 21 HE2 GLU 21 17.992 8.389 -3.717 171 H GLY 22 HN GLY 22 15.267 2.973 -0.424 172 1HA GLY 22 1HA GLY 22 16.295 1.798 1.466 173 2HA GLY 22 2HA GLY 22 16.006 3.232 2.431 174 H HIS 23 HN HIS 23 13.479 2.785 0.145 175 HA HIS 23 HA HIS 23 11.961 0.818 1.378 176 1HB HIS 23 2HB HIS 23 10.499 1.921 2.814 177 2HB HIS 23 3HB HIS 23 12.074 2.553 3.250 178 HD1 HIS 23 HD1 HIS 23 12.591 5.057 2.641 179 HD2 HIS 23 HD2 HIS 23 8.706 3.790 1.692 180 HE1 HIS 23 HE1 HIS 23 11.246 7.172 2.157 181 H ILE 24 HN ILE 24 9.696 0.791 0.493 182 HA ILE 24 HA ILE 24 9.627 2.320 -2.015 183 HB ILE 24 HB ILE 24 8.597 0.512 -3.071 184 1HG1 ILE 24 2HG1 ILE 24 8.307 -0.926 -0.420 185 2HG1 ILE 24 3HG1 ILE 24 7.026 0.007 -1.168 186 1HG2 ILE 24 2HG2 ILE 24 11.023 -0.003 -1.506 187 2HG2 ILE 24 3HG2 ILE 24 10.177 -1.480 -2.026 188 3HG2 ILE 24 1HG2 ILE 24 10.684 -0.273 -3.233 189 1HD1 ILE 24 2HD1 ILE 24 8.455 -2.173 -2.726 190 2HD1 ILE 24 3HD1 ILE 24 7.103 -2.557 -1.633 191 3HD1 ILE 24 1HD1 ILE 24 6.846 -1.470 -3.020 192 H ALA 25 HN ALA 25 7.438 2.944 -2.783 193 HA ALA 25 HA ALA 25 6.055 4.380 -0.916 194 1HB ALA 25 2HB ALA 25 5.952 4.598 -3.412 195 2HB ALA 25 3HB ALA 25 4.934 3.138 -3.459 196 3HB ALA 25 1HB ALA 25 4.350 4.605 -2.636 197 H LYS 26 HN LYS 26 5.646 0.961 -1.926 198 HA LYS 26 HA LYS 26 3.199 0.511 -0.687 199 1HB LYS 26 2HB LYS 26 5.470 -1.453 -1.111 200 2HB LYS 26 3HB LYS 26 3.784 -1.850 -0.849 201 1HG LYS 26 2HG LYS 26 4.372 0.057 -3.093 202 2HG LYS 26 3HG LYS 26 4.880 -1.602 -3.329 203 1HD LYS 26 2HD LYS 26 2.067 -0.938 -2.378 204 2HD LYS 26 3HD LYS 26 2.471 -0.940 -4.083 205 1HE LYS 26 2HE LYS 26 3.208 -3.301 -3.945 206 2HE LYS 26 3HE LYS 26 2.937 -3.313 -2.214 207 1HZ LYS 26 1HZ LYS 26 1.082 -4.084 -3.945 208 2HZ LYS 26 2HZ LYS 26 0.685 -3.435 -2.506 209 H ASN 27 HN ASN 27 6.580 0.349 0.558 210 HA ASN 27 HA ASN 27 5.548 -0.352 3.148 211 1HB ASN 27 2HB ASN 27 8.344 0.003 1.981 212 2HB ASN 27 3HB ASN 27 8.112 -0.178 3.708 213 1HD2 ASN 27 2HD2 ASN 27 7.028 -3.288 1.170 214 2HD2 ASN 27 1HD2 ASN 27 6.874 -1.630 0.694 215 H CYS 28 HN CYS 28 5.698 2.426 1.369 216 HA CYS 28 HA CYS 28 7.009 4.167 3.200 217 1HB CYS 28 2HB CYS 28 6.900 4.615 0.761 218 2HB CYS 28 3HB CYS 28 5.165 4.823 0.878 219 H ARG 29 HN ARG 29 6.085 5.271 4.930 220 HA ARG 29 HA ARG 29 3.527 4.423 5.739 221 1HB ARG 29 2HB ARG 29 3.927 5.895 7.702 222 2HB ARG 29 3HB ARG 29 5.344 4.922 7.362 223 1HG ARG 29 2HG ARG 29 6.048 7.024 5.866 224 2HG ARG 29 3HG ARG 29 4.918 7.880 6.898 225 1HD ARG 29 2HD ARG 29 6.737 6.105 8.420 226 2HD ARG 29 3HD ARG 29 7.595 7.332 7.509 227 HE ARG 29 HE ARG 29 5.582 8.794 8.680 228 1HH1 ARG 29 2HH2 ARG 29 7.932 6.495 10.001 229 2HH1 ARG 29 1HH2 ARG 29 7.980 7.249 11.559 230 HH2 ARG 29 HH1 ARG 29 6.627 9.185 11.969 231 H ALA 30 HN ALA 30 4.858 7.175 3.967 232 HA ALA 30 HA ALA 30 2.867 9.061 4.467 233 1HB ALA 30 1HB ALA 30 4.621 8.589 2.022 234 2HB ALA 30 2HB ALA 30 3.698 10.076 2.349 235 3HB ALA 30 3HB ALA 30 5.024 9.593 3.435 236 HA PRO 31 HA PRO 31 -0.483 7.609 2.152 237 1HB PRO 31 2HB PRO 31 -1.740 9.922 1.418 238 2HB PRO 31 3HB PRO 31 -1.888 9.215 3.015 239 1HG PRO 31 2HG PRO 31 -0.324 11.578 2.172 240 2HG PRO 31 3HG PRO 31 -0.826 11.112 3.785 241 1HD PRO 31 2HD PRO 31 1.795 10.830 2.655 242 2HD PRO 31 3HD PRO 31 1.263 10.259 4.224 243 H ARG 32 HN ARG 32 -1.501 7.263 0.084 244 HA ARG 32 HA ARG 32 0.406 7.161 -1.882 245 1HB ARG 32 2HB ARG 32 -2.627 7.247 -2.281 246 2HB ARG 32 3HB ARG 32 -1.463 6.551 -3.390 247 1HG ARG 32 2HG ARG 32 -1.409 5.532 -0.563 248 2HG ARG 32 3HG ARG 32 -2.791 5.074 -1.539 249 1HD ARG 32 2HD ARG 32 -1.349 3.346 -2.122 250 2HD ARG 32 3HD ARG 32 -0.899 4.502 -3.359 251 HE ARG 32 HE ARG 32 1.216 4.567 -2.392 252 1HH1 ARG 32 2HH2 ARG 32 -1.119 3.778 0.153 253 2HH1 ARG 32 1HH2 ARG 32 0.088 3.633 1.387 254 HH2 ARG 32 HH1 ARG 32 2.390 3.988 0.824 255 H LYS 33 HN LYS 33 1.411 8.990 -2.704 256 HA LYS 33 HA LYS 33 -0.364 11.058 -3.773 257 1HB LYS 33 2HB LYS 33 1.131 11.419 -1.468 258 2HB LYS 33 3HB LYS 33 2.165 12.096 -2.710 259 1HG LYS 33 2HG LYS 33 0.682 13.802 -3.225 260 2HG LYS 33 3HG LYS 33 -0.734 12.818 -2.910 261 1HD LYS 33 2HD LYS 33 -0.836 14.233 -1.068 262 2HD LYS 33 3HD LYS 33 0.120 12.935 -0.381 263 1HE LYS 33 2HE LYS 33 1.788 14.413 0.035 264 2HE LYS 33 3HE LYS 33 1.987 14.648 -1.690 265 1HZ LYS 33 1HZ LYS 33 1.469 16.769 -0.886 266 2HZ LYS 33 2HZ LYS 33 0.018 16.271 -1.432 267 H LYS 34 HN LYS 34 1.339 12.659 -5.097 268 HA LYS 34 HA LYS 34 3.274 11.020 -6.491 269 1HB LYS 34 2HB LYS 34 2.285 11.505 -8.706 270 2HB LYS 34 3HB LYS 34 1.283 10.457 -7.722 271 1HG LYS 34 2HG LYS 34 -0.192 12.320 -7.117 272 2HG LYS 34 3HG LYS 34 0.877 13.478 -7.885 273 1HD LYS 34 2HD LYS 34 0.427 12.519 -10.101 274 2HD LYS 34 3HD LYS 34 -0.485 11.200 -9.394 275 1HE LYS 34 2HE LYS 34 -2.309 12.594 -8.803 276 2HE LYS 34 3HE LYS 34 -1.336 14.052 -8.823 277 1HZ LYS 34 1HZ LYS 34 -2.818 13.766 -10.804 278 2HZ LYS 34 2HZ LYS 34 -1.254 13.972 -11.209 279 H GLY 35 HN GLY 35 4.028 12.920 -4.792 280 1HA GLY 35 1HA GLY 35 4.172 15.489 -6.170 281 2HA GLY 35 2HA GLY 35 4.699 15.117 -4.540 282 H CYS 36 HN CYS 36 5.914 16.155 -7.353 283 HA CYS 36 HA CYS 36 7.949 14.376 -7.993 284 1HB CYS 36 2HB CYS 36 7.391 16.086 -9.555 285 2HB CYS 36 3HB CYS 36 7.654 17.363 -8.384 286 H TRP 37 HN TRP 37 9.683 13.748 -6.754 287 HA TRP 37 HA TRP 37 10.274 15.217 -4.350 288 1HB TRP 37 2HB TRP 37 12.123 13.087 -4.966 289 2HB TRP 37 3HB TRP 37 11.033 13.277 -3.606 290 HD1 TRP 37 HD1 TRP 37 8.333 12.464 -4.226 291 HE1 TRP 37 HE1 TRP 37 7.464 10.367 -5.572 292 HE3 TRP 37 HE3 TRP 37 12.680 11.605 -6.722 293 HZ2 TRP 37 HZ2 TRP 37 8.665 8.624 -7.486 294 HZ3 TRP 37 HZ3 TRP 37 12.747 9.686 -8.310 295 HH2 TRP 37 HH2 TRP 37 10.833 8.221 -8.711 296 H LYS 38 HN LYS 38 10.633 16.724 -6.789 297 HA LYS 38 HA LYS 38 13.534 17.099 -6.639 298 1HB LYS 38 2HB LYS 38 12.277 15.978 -8.839 299 2HB LYS 38 3HB LYS 38 12.391 17.670 -9.279 300 1HG LYS 38 2HG LYS 38 14.824 16.402 -8.039 301 2HG LYS 38 3HG LYS 38 14.425 15.936 -9.681 302 1HD LYS 38 2HD LYS 38 15.670 17.800 -10.207 303 2HD LYS 38 3HD LYS 38 14.146 18.624 -9.946 304 1HE LYS 38 2HE LYS 38 15.007 18.629 -7.385 305 2HE LYS 38 3HE LYS 38 16.573 18.508 -8.163 306 1HZ LYS 38 1HZ LYS 38 14.708 20.522 -9.196 307 2HZ LYS 38 2HZ LYS 38 15.440 20.838 -7.775 308 H CYS 39 HN CYS 39 10.335 18.448 -7.678 309 HA CYS 39 HA CYS 39 11.390 21.077 -6.937 310 1HB CYS 39 2HB CYS 39 9.504 21.971 -8.350 311 2HB CYS 39 3HB CYS 39 10.760 21.124 -9.231 312 H GLY 40 HN GLY 40 8.870 18.590 -6.503 313 1HA GLY 40 1HA GLY 40 7.763 18.300 -4.460 314 2HA GLY 40 2HA GLY 40 7.953 20.005 -4.099 315 H LYS 41 HN LYS 41 7.014 19.155 -7.384 316 HA LYS 41 HA LYS 41 4.401 20.325 -6.857 317 1HB LYS 41 2HB LYS 41 6.276 20.683 -8.880 318 2HB LYS 41 3HB LYS 41 5.052 19.682 -9.636 319 1HG LYS 41 2HG LYS 41 4.061 21.970 -7.961 320 2HG LYS 41 3HG LYS 41 4.852 22.390 -9.467 321 1HD LYS 41 2HD LYS 41 3.306 20.733 -10.649 322 2HD LYS 41 3HD LYS 41 2.446 20.541 -9.134 323 1HE LYS 41 2HE LYS 41 1.237 22.208 -10.387 324 2HE LYS 41 3HE LYS 41 2.075 23.068 -9.111 325 1HZ LYS 41 1HZ LYS 41 3.419 24.096 -10.614 326 2HZ LYS 41 2HZ LYS 41 3.582 22.793 -11.578 327 H GLU 42 HN GLU 42 2.576 19.127 -6.715 328 HA GLU 42 HA GLU 42 2.869 16.302 -7.106 329 1HB GLU 42 2HB GLU 42 0.698 16.129 -6.009 330 2HB GLU 42 3HB GLU 42 1.702 17.245 -5.106 331 1HG GLU 42 2HG GLU 42 0.576 19.103 -6.607 332 2HG GLU 42 3HG GLU 42 -0.628 17.876 -6.944 333 HE2 GLU 42 HE2 GLU 42 -0.960 19.987 -3.794 334 H GLY 43 HN GLY 43 2.369 15.268 -8.987 335 1HA GLY 43 1HA GLY 43 0.272 15.127 -10.486 336 2HA GLY 43 2HA GLY 43 0.767 16.738 -10.968 337 H HIS 44 HN HIS 44 3.553 16.588 -11.054 338 HA HIS 44 HA HIS 44 3.888 14.677 -13.234 339 1HB HIS 44 2HB HIS 44 5.515 16.116 -14.135 340 2HB HIS 44 3HB HIS 44 4.195 17.151 -13.627 341 HD1 HIS 44 HD1 HIS 44 4.714 18.982 -11.940 342 HD2 HIS 44 HD2 HIS 44 7.840 16.219 -12.370 343 HE1 HIS 44 HE1 HIS 44 6.699 19.944 -10.658 344 H GLN 45 HN GLN 45 6.366 13.974 -13.435 345 HA GLN 45 HA GLN 45 7.199 13.220 -10.742 346 1HB GLN 45 2HB GLN 45 7.850 11.033 -11.559 347 2HB GLN 45 3HB GLN 45 6.192 11.318 -12.049 348 1HG GLN 45 2HG GLN 45 7.609 12.376 -14.196 349 2HG GLN 45 3HG GLN 45 8.632 11.035 -13.717 350 1HE2 GLN 45 2HE2 GLN 45 6.704 8.665 -15.310 351 2HE2 GLN 45 1HE2 GLN 45 8.236 9.245 -14.745 352 H MET 46 HN MET 46 9.592 12.730 -10.562 353 HA MET 46 HA MET 46 11.081 14.818 -11.421 354 1HB MET 46 2HB MET 46 11.589 12.998 -9.644 355 2HB MET 46 3HB MET 46 12.145 11.980 -10.958 356 1HG MET 46 2HG MET 46 13.364 14.633 -11.155 357 2HG MET 46 3HG MET 46 13.647 13.954 -9.564 358 1HE MET 46 2HE MET 46 14.834 11.962 -8.996 359 2HE MET 46 3HE MET 46 13.919 10.774 -9.956 360 3HE MET 46 1HE MET 46 15.692 10.846 -10.085 361 H LYS 47 HN LYS 47 10.456 11.698 -13.065 362 HA LYS 47 HA LYS 47 12.452 11.834 -14.979 363 1HB LYS 47 2HB LYS 47 10.918 9.896 -14.408 364 2HB LYS 47 3HB LYS 47 9.682 10.678 -15.373 365 1HG LYS 47 2HG LYS 47 11.630 10.789 -17.206 366 2HG LYS 47 3HG LYS 47 12.308 9.476 -16.265 367 1HD LYS 47 2HD LYS 47 9.398 9.390 -17.125 368 2HD LYS 47 3HD LYS 47 10.661 8.920 -18.244 369 1HE LYS 47 2HE LYS 47 10.718 7.737 -15.467 370 2HE LYS 47 3HE LYS 47 9.517 7.136 -16.593 371 1HZ LYS 47 1HZ LYS 47 11.389 6.745 -18.185 372 2HZ LYS 47 2HZ LYS 47 12.454 7.150 -17.022 373 H ASP 48 HN ASP 48 9.181 13.329 -14.852 374 HA ASP 48 HA ASP 48 9.900 14.724 -17.306 375 1HB ASP 48 2HB ASP 48 7.675 13.266 -16.920 376 2HB ASP 48 3HB ASP 48 7.108 14.737 -16.155 377 HD2 ASP 48 HD2 ASP 48 7.550 13.184 -19.003 378 H CYS 49 HN CYS 49 10.823 15.376 -14.533 379 HA CYS 49 HA CYS 49 9.431 17.168 -13.126 380 1HB CYS 49 2HB CYS 49 11.738 16.377 -12.616 381 2HB CYS 49 3HB CYS 49 12.368 17.471 -13.832 382 H THR 50 HN THR 50 8.206 18.888 -13.820 383 HA THR 50 HA THR 50 8.905 20.219 -16.292 384 HB THR 50 HB THR 50 6.547 19.536 -15.630 385 HG1 THR 50 HG1 THR 50 5.805 21.849 -16.105 386 1HG2 THR 50 3HG2 THR 50 7.231 20.935 -13.209 387 2HG2 THR 50 1HG2 THR 50 6.006 21.911 -14.054 388 3HG2 THR 50 2HG2 THR 50 5.661 20.215 -13.637 389 H GLU 51 HN GLU 51 10.160 20.411 -13.259 390 HA GLU 51 HA GLU 51 10.951 22.026 -11.983 391 1HB GLU 51 2HB GLU 51 12.563 23.527 -13.235 392 2HB GLU 51 3HB GLU 51 12.739 21.819 -13.582 393 1HG GLU 51 2HG GLU 51 11.404 22.075 -15.661 394 2HG GLU 51 3HG GLU 51 11.141 23.771 -15.305 395 HE2 GLU 51 HE2 GLU 51 14.008 24.911 -15.393 396 H ARG 52 HN ARG 52 8.550 22.726 -11.657 397 HA ARG 52 HA ARG 52 8.531 25.510 -11.703 398 1HB ARG 52 2HB ARG 52 7.537 24.329 -14.095 399 2HB ARG 52 3HB ARG 52 6.107 24.799 -13.197 400 1HG ARG 52 2HG ARG 52 7.161 27.105 -12.880 401 2HG ARG 52 3HG ARG 52 8.447 26.605 -13.961 402 1HD ARG 52 2HD ARG 52 6.188 25.913 -15.427 403 2HD ARG 52 3HD ARG 52 5.636 27.349 -14.589 404 HE ARG 52 HE ARG 52 7.588 27.257 -16.728 405 1HH1 ARG 52 2HH2 ARG 52 6.741 29.042 -13.787 406 2HH1 ARG 52 1HH2 ARG 52 7.516 30.502 -14.302 407 HH2 ARG 52 HH1 ARG 52 8.609 30.564 -16.435 408 H GLN 53 HN GLN 53 6.874 26.323 -10.277 409 HA GLN 53 HA GLN 53 4.913 24.402 -9.387 410 1HB GLN 53 2HB GLN 53 5.463 24.760 -7.001 411 2HB GLN 53 3HB GLN 53 6.811 24.041 -7.859 412 1HG GLN 53 2HG GLN 53 8.147 25.777 -7.281 413 2HG GLN 53 3HG GLN 53 7.069 26.906 -8.077 414 1HE2 GLN 53 2HE2 GLN 53 7.509 27.315 -4.245 415 2HE2 GLN 53 1HE2 GLN 53 8.633 26.806 -5.462 416 H ALA 54 HN ALA 54 3.916 26.206 -10.889 417 HA ALA 54 HA ALA 54 2.855 28.237 -9.079 418 1HB ALA 54 2HB ALA 54 4.423 28.672 -11.597 419 2HB ALA 54 3HB ALA 54 3.026 29.733 -11.291 420 3HB ALA 54 1HB ALA 54 4.356 29.650 -10.111 421 H ASN 55 HN ASN 55 0.899 29.364 -10.271 422 HA ASN 55 HA ASN 55 -0.525 27.200 -11.601 423 1HB ASN 55 2HB ASN 55 -1.621 29.599 -10.041 424 2HB ASN 55 3HB ASN 55 -2.607 28.352 -10.779 425 1HD2 ASN 55 2HD2 ASN 55 -0.688 27.803 -7.202 426 2HD2 ASN 55 1HD2 ASN 55 -0.490 29.214 -8.186 427 1H5* G 201 1H5* G 201 -0.592 -17.998 -8.727 428 2H5* G 201 2H5* G 201 0.509 -16.751 -8.141 429 H4* G 201 H4* G 201 -0.871 -17.710 -6.352 430 H3* G 201 H3* G 201 2.081 -17.752 -6.244 431 1H2* G 201 1H2* G 201 2.205 -19.185 -4.376 432 2HO* G 201 2HO* G 201 0.361 -18.065 -3.436 433 H1* G 201 H1* G 201 0.333 -21.025 -5.342 434 H8 G 201 H8 G 201 3.253 -19.173 -7.021 435 H1 G 201 H1 G 201 3.833 -25.610 -6.688 436 1H2 G 201 1H2 G 201 2.149 -26.408 -5.805 437 2H2 G 201 2H2 G 201 0.783 -25.473 -5.239 438 1H5* G 202 1H5* G 202 1.576 -17.271 -1.824 439 2H5* G 202 2H5* G 202 2.806 -16.028 -1.595 440 H4* G 202 H4* G 202 3.266 -18.146 -0.390 441 H3* G 202 H3* G 202 5.235 -17.098 -2.410 442 1H2* G 202 1H2* G 202 6.725 -18.841 -1.876 443 2HO* G 202 2HO* G 202 5.849 -20.182 0.082 444 H1* G 202 H1* G 202 4.719 -20.825 -1.769 445 H8 G 202 H8 G 202 4.855 -18.158 -4.508 446 H1 G 202 H1 G 202 7.357 -23.906 -6.114 447 1H2 G 202 1H2 G 202 7.335 -25.151 -4.470 448 2H2 G 202 2H2 G 202 6.728 -24.704 -2.892 449 1H5* A 203 1H5* A 203 7.592 -18.799 1.258 450 2H5* A 203 2H5* A 203 8.232 -17.221 1.714 451 H4* A 203 H4* A 203 10.069 -18.678 1.743 452 H3* A 203 H3* A 203 10.013 -16.800 -0.541 453 1H2* A 203 1H2* A 203 11.711 -17.857 -1.747 454 2HO* A 203 2HO* A 203 12.097 -19.311 0.711 455 H1* A 203 H1* A 203 10.867 -20.502 -1.084 456 H8 A 203 H8 A 203 8.450 -17.834 -2.349 457 1H6 A 203 1H6 A 203 9.107 -20.546 -7.931 458 2H6 A 203 2H6 A 203 8.246 -19.302 -7.052 459 H2 A 203 H2 A 203 11.889 -22.527 -5.089 460 1H5* C 204 1H5* C 204 14.160 -17.157 0.654 461 2H5* C 204 2H5* C 204 14.982 -15.613 0.429 462 H4* C 204 H4* C 204 16.055 -17.283 -0.917 463 H3* C 204 H3* C 204 14.514 -15.197 -2.441 464 1H2* C 204 1H2* C 204 15.225 -16.133 -4.478 465 2HO* C 204 2HO* C 204 16.954 -17.674 -2.764 466 H1* C 204 H1* C 204 14.889 -18.815 -3.575 467 1H4 C 204 1H4 C 204 9.731 -17.906 -7.192 468 2H4 C 204 2H4 C 204 9.117 -16.726 -6.056 469 H5 C 204 H5 C 204 10.293 -16.012 -4.137 470 H6 C 204 H6 C 204 12.368 -16.257 -2.821 471 1H5* U 205 1H5* U 205 18.749 -15.023 -2.663 472 2H5* U 205 2H5* U 205 19.706 -13.552 -2.831 473 H4* U 205 H4* U 205 20.368 -14.874 -4.629 474 H3* U 205 H3* U 205 18.544 -12.677 -5.390 475 1H2* U 205 1H2* U 205 18.111 -13.472 -7.547 476 2HO* U 205 2HO* U 205 19.610 -15.055 -8.404 477 H1* U 205 H1* U 205 18.056 -16.228 -6.673 478 H3 U 205 H3 U 205 13.974 -15.934 -8.570 479 H5 U 205 H5 U 205 13.713 -13.326 -5.303 480 H6 U 205 H6 U 205 16.106 -13.711 -4.932 481 1H5* A 206 1H5* A 206 20.986 -12.625 -8.100 482 2H5* A 206 2H5* A 206 21.782 -11.241 -8.849 483 H4* A 206 H4* A 206 20.086 -12.083 -10.327 484 H3* A 206 H3* A 206 19.158 -9.475 -9.062 485 1H2* A 206 1H2* A 206 17.544 -9.485 -10.697 486 2HO* A 206 2HO* A 206 19.368 -11.079 -12.247 487 H1* A 206 H1* A 206 17.656 -12.303 -11.303 488 H8 A 206 H8 A 206 16.997 -11.009 -7.786 489 1H6 A 206 1H6 A 206 10.955 -11.907 -9.066 490 2H6 A 206 2H6 A 206 12.087 -11.466 -7.807 491 H2 A 206 H2 A 206 13.289 -12.685 -12.765 492 1H5* G 207 1H5* G 207 20.219 -8.604 -12.713 493 2H5* G 207 2H5* G 207 20.378 -6.931 -13.251 494 H4* G 207 H4* G 207 18.270 -7.807 -13.990 495 H3* G 207 H3* G 207 17.760 -5.923 -11.654 496 1H2* G 207 1H2* G 207 15.618 -5.793 -12.545 497 2HO* G 207 2HO* G 207 16.866 -6.713 -14.974 498 H1* G 207 H1* G 207 15.719 -8.408 -13.762 499 H8 G 207 H8 G 207 16.437 -7.868 -10.067 500 H1 G 207 H1 G 207 10.333 -9.525 -11.440 501 1H2 G 207 1H2 G 207 10.072 -9.557 -13.485 502 2H2 G 207 2H2 G 207 11.320 -9.189 -14.654 503 1H5* C 208 1H5* C 208 18.495 -2.577 -14.930 504 2H5* C 208 2H5* C 208 18.090 -1.079 -14.091 505 H4* C 208 H4* C 208 16.430 -2.170 -15.804 506 H3* C 208 H3* C 208 15.796 -0.747 -13.246 507 1H2* C 208 1H2* C 208 13.575 -1.345 -13.336 508 2HO* C 208 2HO* C 208 13.689 -2.024 -16.077 509 H1* C 208 H1* C 208 13.984 -3.743 -14.917 510 1H4 C 208 1H4 C 208 11.899 -5.985 -9.329 511 2H4 C 208 2H4 C 208 13.386 -5.479 -8.560 512 H5 C 208 H5 C 208 15.093 -4.275 -9.660 513 H6 C 208 H6 C 208 15.801 -3.249 -11.792 514 1H5* G 209 1H5* G 209 11.603 1.765 -16.585 515 2H5* G 209 2H5* G 209 12.429 2.897 -15.514 516 H4* G 209 H4* G 209 10.522 0.917 -14.852 517 H3* G 209 H3* G 209 12.213 2.455 -12.855 518 1H2* G 209 1H2* G 209 10.348 2.002 -11.487 519 2HO* G 209 2HO* G 209 8.362 1.306 -12.804 520 H1* G 209 H1* G 209 9.828 -0.498 -12.767 521 H8 G 209 H8 G 209 13.284 0.594 -11.554 522 H1 G 209 H1 G 209 10.071 -3.348 -7.552 523 1H2 G 209 1H2 G 209 8.178 -3.689 -8.294 524 2H2 G 209 2H2 G 209 7.553 -3.008 -9.779 525 1H5* G 210 1H5* G 210 10.934 7.043 -11.577 526 2H5* G 210 2H5* G 210 11.104 5.302 -11.359 527 H4* G 210 H4* G 210 8.868 4.943 -11.296 528 H3* G 210 H3* G 210 8.725 6.575 -13.630 529 1H2* G 210 1H2* G 210 7.641 8.399 -12.801 530 2HO* G 210 2HO* G 210 5.496 7.857 -12.603 531 H1* G 210 H1* G 210 7.010 7.414 -10.106 532 H8 G 210 H8 G 210 10.181 8.865 -11.721 533 H1 G 210 H1 G 210 7.395 12.559 -7.197 534 1H2 G 210 1H2 G 210 5.691 11.631 -6.502 535 2H2 G 210 2H2 G 210 5.102 10.081 -7.063 536 1H5* A 211 1H5* A 211 8.443 3.340 -10.184 537 2H5* A 211 2H5* A 211 8.462 1.706 -10.843 538 H4* A 211 H4* A 211 7.191 1.386 -8.975 539 H3* A 211 H3* A 211 5.477 1.746 -11.327 540 1H2* A 211 1H2* A 211 4.135 3.166 -10.016 541 2HO* A 211 2HO* A 211 3.419 0.672 -8.843 542 H1* A 211 H1* A 211 4.821 1.516 -7.545 543 H8 A 211 H8 A 211 5.047 5.177 -8.700 544 1H6 A 211 1H6 A 211 1.923 6.482 -3.457 545 2H6 A 211 2H6 A 211 2.668 7.185 -4.875 546 H2 A 211 H2 A 211 2.468 2.078 -3.691 547 1H5* G 212 1H5* G 212 3.384 -2.615 -8.762 548 2H5* G 212 2H5* G 212 4.296 -1.112 -8.622 549 H4* G 212 H4* G 212 5.895 -3.593 -8.917 550 H3* G 212 H3* G 212 3.889 -3.460 -6.837 551 1H2* G 212 1H2* G 212 5.189 -2.665 -5.149 552 2HO* G 212 2HO* G 212 7.343 -4.346 -5.710 553 H1* G 212 H1* G 212 7.732 -2.636 -6.712 554 H8 G 212 H8 G 212 4.838 -0.529 -5.373 555 H1 G 212 H1 G 212 10.646 2.321 -5.181 556 1H2 G 212 1H2 G 212 12.040 1.106 -6.095 557 2H2 G 212 2H2 G 212 11.686 -0.453 -6.808 558 1H5* G 213 1H5* G 213 3.933 -4.507 -9.097 559 2H5* G 213 2H5* G 213 2.204 -4.380 -8.775 560 H4* G 213 H4* G 213 1.628 -5.467 -10.663 561 H3* G 213 H3* G 213 3.619 -7.426 -9.881 562 1H2* G 213 1H2* G 213 4.667 -7.775 -11.926 563 2HO* G 213 2HO* G 213 2.593 -6.264 -13.193 564 H1* G 213 H1* G 213 4.744 -5.190 -12.862 565 H8 G 213 H8 G 213 5.125 -6.131 -9.157 566 H1 G 213 H1 G 213 10.600 -4.543 -12.220 567 1H2 G 213 1H2 G 213 10.190 -4.144 -14.202 568 2H2 G 213 2H2 G 213 8.599 -4.229 -14.925 569 1H5* C 214 1H5* C 214 1.867 -8.993 -13.329 570 2H5* C 214 2H5* C 214 1.797 -10.755 -13.355 571 H4* C 214 H4* C 214 3.283 -9.829 -15.082 572 H3* C 214 H3* C 214 4.537 -11.571 -12.953 573 1H2* C 214 1H2* C 214 6.540 -11.519 -14.153 574 2HO* C 214 2HO* C 214 6.400 -11.116 -16.419 575 H1* C 214 H1* C 214 6.404 -8.861 -14.980 576 1H4 C 214 1H4 C 214 9.807 -8.323 -9.633 577 2H4 C 214 2H4 C 214 8.441 -8.853 -8.676 578 H5 C 214 H5 C 214 6.371 -9.521 -9.595 579 H6 C 214 H6 C 214 5.088 -9.849 -11.679 580 1H5* U 215 1H5* U 215 5.243 -13.275 -16.598 581 2H5* U 215 2H5* U 215 5.342 -15.036 -16.630 582 H4* U 215 H4* U 215 7.423 -13.877 -17.339 583 H3* U 215 H3* U 215 7.352 -15.926 -15.195 584 1H2* U 215 1H2* U 215 9.326 -15.291 -14.254 585 2HO* U 215 2HO* U 215 10.264 -16.150 -16.187 586 H1* U 215 H1* U 215 9.625 -12.783 -15.780 587 H3 U 215 H3 U 215 11.144 -11.369 -11.768 588 H5 U 215 H5 U 215 7.150 -12.372 -11.003 589 H6 U 215 H6 U 215 7.037 -13.252 -13.289 590 1H5* A 216 1H5* A 216 10.029 -16.757 -18.076 591 2H5* A 216 2H5* A 216 10.370 -18.267 -18.920 592 H4* A 216 H4* A 216 12.328 -17.939 -17.774 593 H3* A 216 H3* A 216 10.561 -19.667 -16.054 594 1H2* A 216 1H2* A 216 12.133 -19.658 -14.363 595 2HO* A 216 2HO* A 216 14.094 -18.772 -16.252 596 H1* A 216 H1* A 216 13.274 -17.088 -15.155 597 H8 A 216 H8 A 216 9.649 -17.454 -14.107 598 1H6 A 216 1H6 A 216 11.530 -15.579 -8.458 599 2H6 A 216 2H6 A 216 10.127 -15.968 -9.429 600 H2 A 216 H2 A 216 15.128 -16.151 -11.003 601 1H5* G 217 1H5* G 217 14.062 -21.432 -16.782 602 2H5* G 217 2H5* G 217 14.316 -23.176 -16.840 603 H4* G 217 H4* G 217 15.485 -22.524 -14.949 604 H3* G 217 H3* G 217 12.740 -23.435 -14.045 605 1H2* G 217 1H2* G 217 13.518 -23.296 -11.836 606 2HO* G 217 2HO* G 217 15.472 -24.403 -12.423 607 H1* G 217 H1* G 217 15.103 -20.954 -12.417 608 H8 G 217 H8 G 217 11.393 -21.186 -13.233 609 H1 G 217 H1 G 217 12.775 -18.294 -7.610 610 1H2 G 217 1H2 G 217 14.797 -18.450 -7.235 611 2H2 G 217 2H2 G 217 15.946 -19.243 -8.287 612 1H5* U 218 1H5* U 218 15.528 -26.397 -12.568 613 2H5* U 218 2H5* U 218 14.863 -28.027 -12.680 614 H4* U 218 H4* U 218 15.431 -27.763 -10.430 615 H3* U 218 H3* U 218 12.501 -27.503 -10.922 616 1H2* U 218 1H2* U 218 12.047 -26.926 -8.692 617 2HO* U 218 2HO* U 218 14.806 -27.432 -8.105 618 H1* U 218 H1* U 218 14.410 -25.276 -8.515 619 H3 U 218 H3 U 218 11.283 -22.193 -7.507 620 H5 U 218 H5 U 218 10.381 -23.214 -11.468 621 H6 U 218 H6 U 218 12.107 -24.947 -11.311 622 1H5* C 219 1H5* C 219 13.160 -29.798 -7.942 623 2H5* C 219 2H5* C 219 12.396 -31.333 -7.528 624 H4* C 219 H4* C 219 11.796 -29.933 -5.779 625 H3* C 219 H3* C 219 9.513 -29.866 -7.776 626 1H2* C 219 1H2* C 219 8.280 -28.714 -6.170 627 2HO* C 219 2HO* C 219 8.548 -29.434 -4.117 628 H1* C 219 H1* C 219 10.454 -27.286 -5.059 629 1H4 C 219 1H4 C 219 7.817 -22.935 -8.879 630 2H4 C 219 2H4 C 219 8.225 -23.888 -10.289 631 H5 C 219 H5 C 219 9.253 -26.012 -10.188 632 H6 C 219 H6 C 219 10.151 -27.762 -8.696 633 1H5* C 220 1H5* C 220 7.059 -32.641 -5.021 634 2H5* C 220 2H5* C 220 6.816 -33.886 -6.246 635 H4* C 220 H4* C 220 4.670 -33.234 -5.524 636 H3* C 220 H3* C 220 5.409 -32.238 -8.236 637 1H2* C 220 1H2* C 220 3.417 -31.005 -8.460 638 2HO* C 220 2HO* C 220 2.573 -32.077 -5.943 639 H1* C 220 H1* C 220 3.517 -30.007 -5.799 640 1H4 C 220 1H4 C 220 5.735 -25.029 -9.072 641 2H4 C 220 2H4 C 220 7.032 -25.998 -9.733 642 H5 C 220 H5 C 220 7.308 -28.303 -9.296 643 H6 C 220 H6 C 220 6.398 -30.264 -8.104 No H/Q in entry = 643 Start of MODEL 7 1 H MET 1 HN MET 1 4.225 -12.280 6.162 2 HA MET 1 HA MET 1 5.946 -12.005 4.387 3 1HB MET 1 2HB MET 1 4.152 -14.320 4.939 4 2HB MET 1 3HB MET 1 4.973 -14.448 3.396 5 1HG MET 1 2HG MET 1 7.158 -14.293 4.431 6 2HG MET 1 3HG MET 1 6.479 -13.768 5.958 7 1HE MET 1 3HE MET 1 6.397 -14.995 7.710 8 2HE MET 1 1HE MET 1 4.788 -15.735 7.526 9 3HE MET 1 2HE MET 1 6.196 -16.752 7.912 10 H GLN 2 HN GLN 2 2.503 -12.313 3.430 11 HA GLN 2 HA GLN 2 2.592 -12.697 0.822 12 1HB GLN 2 2HB GLN 2 0.921 -10.827 2.503 13 2HB GLN 2 3HB GLN 2 0.706 -10.813 0.764 14 1HG GLN 2 2HG GLN 2 0.171 -13.199 0.736 15 2HG GLN 2 3HG GLN 2 0.614 -13.373 2.423 16 1HE2 GLN 2 2HE2 GLN 2 -2.925 -11.524 1.310 17 2HE2 GLN 2 1HE2 GLN 2 -1.569 -11.632 0.238 18 H LYS 3 HN LYS 3 2.720 -11.352 -1.132 19 HA LYS 3 HA LYS 3 3.486 -9.700 -2.402 20 1HB LYS 3 2HB LYS 3 2.529 -8.204 -0.542 21 2HB LYS 3 3HB LYS 3 4.175 -8.058 0.038 22 1HG LYS 3 2HG LYS 3 4.561 -6.453 -1.513 23 2HG LYS 3 3HG LYS 3 4.308 -7.636 -2.781 24 1HD LYS 3 2HD LYS 3 1.991 -6.196 -1.421 25 2HD LYS 3 3HD LYS 3 2.799 -5.538 -2.831 26 1HE LYS 3 2HE LYS 3 1.779 -7.015 -4.249 27 2HE LYS 3 3HE LYS 3 2.076 -8.378 -3.189 28 1HZ LYS 3 1HZ LYS 3 -0.158 -8.233 -2.882 29 2HZ LYS 3 2HZ LYS 3 0.194 -7.059 -1.810 30 H GLY 4 HN GLY 4 5.028 -11.699 -2.492 31 1HA GLY 4 1HA GLY 4 7.508 -11.685 -1.222 32 2HA GLY 4 2HA GLY 4 7.128 -12.452 -2.751 33 H ASN 5 HN ASN 5 6.222 -9.680 -3.833 34 HA ASN 5 HA ASN 5 8.548 -9.098 -5.158 35 1HB ASN 5 2HB ASN 5 5.916 -8.297 -5.343 36 2HB ASN 5 3HB ASN 5 6.633 -6.830 -4.708 37 1HD2 ASN 5 2HD2 ASN 5 7.862 -5.768 -7.748 38 2HD2 ASN 5 1HD2 ASN 5 7.294 -5.441 -6.144 39 H PHE 6 HN PHE 6 7.430 -8.263 -1.944 40 HA PHE 6 HA PHE 6 8.681 -5.813 -1.560 41 1HB PHE 6 2HB PHE 6 7.096 -6.645 0.068 42 2HB PHE 6 3HB PHE 6 7.861 -8.221 0.127 43 HD1 PHE 6 HD2 PHE 6 8.260 -4.688 1.156 44 HD2 PHE 6 HD1 PHE 6 9.548 -8.693 1.712 45 HE1 PHE 6 HE2 PHE 6 9.530 -3.994 3.207 46 HE2 PHE 6 HE1 PHE 6 10.819 -8.000 3.763 47 HZ PHE 6 HZ PHE 6 10.793 -5.659 4.486 48 H ARG 7 HN ARG 7 10.035 -8.954 -2.092 49 HA ARG 7 HA ARG 7 12.242 -8.847 -0.463 50 1HB ARG 7 2HB ARG 7 13.225 -10.504 -2.018 51 2HB ARG 7 3HB ARG 7 11.528 -10.857 -1.763 52 1HG ARG 7 2HG ARG 7 10.945 -9.716 -3.895 53 2HG ARG 7 3HG ARG 7 12.626 -9.287 -4.143 54 1HD ARG 7 2HD ARG 7 11.889 -12.200 -3.737 55 2HD ARG 7 3HD ARG 7 11.618 -11.458 -5.302 56 HE ARG 7 HE ARG 7 14.200 -12.132 -4.123 57 1HH1 ARG 7 2HH2 ARG 7 12.588 -9.977 -6.427 58 2HH1 ARG 7 1HH2 ARG 7 14.024 -9.683 -7.348 59 HH2 ARG 7 HH1 ARG 7 16.075 -10.733 -6.690 60 H ASN 8 HN ASN 8 11.352 -6.811 -3.082 61 HA ASN 8 HA ASN 8 13.720 -6.354 -4.360 62 1HB ASN 8 2HB ASN 8 12.745 -4.097 -4.899 63 2HB ASN 8 3HB ASN 8 11.578 -5.386 -5.120 64 1HD2 ASN 8 2HD2 ASN 8 10.182 -2.428 -3.196 65 2HD2 ASN 8 1HD2 ASN 8 11.119 -2.580 -4.645 66 H GLN 9 HN GLN 9 12.410 -5.156 -1.237 67 HA GLN 9 HA GLN 9 14.179 -3.087 -0.827 68 1HB GLN 9 2HB GLN 9 12.727 -4.915 1.129 69 2HB GLN 9 3HB GLN 9 13.642 -3.513 1.646 70 1HG GLN 9 2HG GLN 9 12.208 -2.155 -0.048 71 2HG GLN 9 3HG GLN 9 11.176 -3.567 -0.138 72 1HE2 GLN 9 2HE2 GLN 9 9.331 -2.020 2.409 73 2HE2 GLN 9 1HE2 GLN 9 9.460 -2.394 0.723 74 H ARG 10 HN ARG 10 14.820 -6.419 -1.132 75 HA ARG 10 HA ARG 10 16.681 -6.882 0.807 76 1HB ARG 10 2HB ARG 10 17.537 -8.654 -0.698 77 2HB ARG 10 3HB ARG 10 15.786 -8.612 -0.755 78 1HG ARG 10 2HG ARG 10 16.132 -6.973 -2.798 79 2HG ARG 10 3HG ARG 10 17.762 -7.615 -2.832 80 1HD ARG 10 2HD ARG 10 17.071 -9.744 -3.490 81 2HD ARG 10 3HD ARG 10 15.536 -9.627 -2.651 82 HE ARG 10 HE ARG 10 14.581 -8.589 -4.542 83 1HH1 ARG 10 2HH2 ARG 10 18.099 -8.764 -4.924 84 2HH1 ARG 10 1HH2 ARG 10 18.066 -8.296 -6.591 85 HH2 ARG 10 HH1 ARG 10 15.960 -7.836 -7.639 86 H LYS 11 HN LYS 11 16.774 -4.653 -1.837 87 HA LYS 11 HA LYS 11 19.703 -4.510 -1.677 88 1HB LYS 11 2HB LYS 11 18.807 -5.009 -3.916 89 2HB LYS 11 3HB LYS 11 17.832 -3.554 -3.865 90 1HG LYS 11 2HG LYS 11 19.639 -2.155 -4.214 91 2HG LYS 11 3HG LYS 11 20.734 -3.151 -3.275 92 1HD LYS 11 2HD LYS 11 21.537 -3.463 -5.468 93 2HD LYS 11 3HD LYS 11 20.524 -4.874 -5.242 94 1HE LYS 11 2HE LYS 11 19.738 -4.131 -7.311 95 2HE LYS 11 3HE LYS 11 18.613 -3.315 -6.245 96 1HZ LYS 11 1HZ LYS 11 19.522 -1.306 -6.740 97 2HZ LYS 11 2HZ LYS 11 21.059 -1.844 -6.761 98 H THR 12 HN THR 12 17.305 -2.045 -2.740 99 HA THR 12 HA THR 12 17.182 -0.564 -0.408 100 HB THR 12 HB THR 12 19.780 -0.550 -1.076 101 HG1 THR 12 HG1 THR 12 17.968 1.641 -0.381 102 1HG2 THR 12 1HG2 THR 12 18.872 0.584 -3.396 103 2HG2 THR 12 2HG2 THR 12 19.002 2.040 -2.380 104 3HG2 THR 12 3HG2 THR 12 20.433 1.018 -2.661 105 H VAL 13 HN VAL 13 15.363 -1.320 -2.330 106 HA VAL 13 HA VAL 13 14.899 0.219 -4.476 107 HB VAL 13 HB VAL 13 12.464 -0.035 -3.895 108 1HG1 VAL 13 3HG1 VAL 13 14.475 -2.073 -4.383 109 2HG1 VAL 13 1HG1 VAL 13 13.075 -2.746 -3.511 110 3HG1 VAL 13 2HG1 VAL 13 12.838 -1.904 -5.061 111 1HG2 VAL 13 3HG2 VAL 13 13.627 -1.301 -1.394 112 2HG2 VAL 13 1HG2 VAL 13 12.551 0.113 -1.487 113 3HG2 VAL 13 2HG2 VAL 13 11.943 -1.498 -1.936 114 H LYS 14 HN LYS 14 13.648 2.193 -4.889 115 HA LYS 14 HA LYS 14 14.094 4.131 -2.736 116 1HB LYS 14 2HB LYS 14 15.347 4.681 -4.694 117 2HB LYS 14 3HB LYS 14 13.971 4.414 -5.746 118 1HG LYS 14 2HG LYS 14 13.023 6.305 -3.890 119 2HG LYS 14 3HG LYS 14 14.681 6.800 -4.168 120 1HD LYS 14 2HD LYS 14 12.995 6.075 -6.565 121 2HD LYS 14 3HD LYS 14 12.687 7.609 -5.776 122 1HE LYS 14 2HE LYS 14 15.570 6.994 -6.281 123 2HE LYS 14 3HE LYS 14 14.597 7.238 -7.717 124 1HZ LYS 14 1HZ LYS 14 13.966 9.229 -5.807 125 2HZ LYS 14 2HZ LYS 14 15.580 9.210 -6.026 126 H CYS 15 HN CYS 15 12.409 5.325 -1.891 127 HA CYS 15 HA CYS 15 9.818 4.267 -2.322 128 1HB CYS 15 2HB CYS 15 10.567 5.061 -0.113 129 2HB CYS 15 3HB CYS 15 10.705 6.697 -0.729 130 H PHE 16 HN PHE 16 8.584 4.782 -4.094 131 HA PHE 16 HA PHE 16 9.223 7.086 -5.656 132 1HB PHE 16 2HB PHE 16 7.160 4.828 -5.632 133 2HB PHE 16 3HB PHE 16 6.975 6.145 -6.772 134 HD1 PHE 16 HD1 PHE 16 9.690 6.679 -7.659 135 HD2 PHE 16 HD2 PHE 16 7.815 2.964 -6.828 136 HE1 PHE 16 HE1 PHE 16 11.263 5.530 -9.242 137 HE2 PHE 16 HE2 PHE 16 9.388 1.816 -8.411 138 HZ PHE 16 HZ PHE 16 11.094 3.113 -9.600 139 H ASN 17 HN ASN 17 7.794 6.960 -2.727 140 HA ASN 17 HA ASN 17 5.554 8.646 -3.432 141 1HB ASN 17 2HB ASN 17 5.527 6.686 -1.667 142 2HB ASN 17 3HB ASN 17 6.362 7.810 -0.613 143 1HD2 ASN 17 2HD2 ASN 17 3.295 8.943 0.542 144 2HD2 ASN 17 1HD2 ASN 17 4.831 8.206 0.854 145 H CYS 18 HN CYS 18 8.316 8.538 -1.041 146 HA CYS 18 HA CYS 18 8.187 11.423 -0.821 147 1HB CYS 18 2HB CYS 18 9.830 11.122 1.010 148 2HB CYS 18 3HB CYS 18 8.350 10.216 1.265 149 H GLY 19 HN GLY 19 10.336 8.722 -1.879 150 1HA GLY 19 1HA GLY 19 11.673 8.999 -3.828 151 2HA GLY 19 2HA GLY 19 11.906 10.687 -3.419 152 H LYS 20 HN LYS 20 12.009 8.115 -0.945 153 HA LYS 20 HA LYS 20 14.833 8.763 -0.555 154 1HB LYS 20 2HB LYS 20 12.600 7.883 1.233 155 2HB LYS 20 3HB LYS 20 14.233 7.410 1.659 156 1HG LYS 20 2HG LYS 20 14.444 10.138 0.911 157 2HG LYS 20 3HG LYS 20 12.963 10.045 1.844 158 1HD LYS 20 2HD LYS 20 15.315 8.560 2.963 159 2HD LYS 20 3HD LYS 20 15.435 10.308 2.975 160 1HE LYS 20 2HE LYS 20 13.636 10.571 4.453 161 2HE LYS 20 3HE LYS 20 12.849 9.094 3.935 162 1HZ LYS 20 1HZ LYS 20 13.829 8.074 5.661 163 2HZ LYS 20 2HZ LYS 20 15.307 8.366 5.046 164 H GLU 21 HN GLU 21 15.742 6.517 0.774 165 HA GLU 21 HA GLU 21 15.192 4.349 -1.081 166 1HB GLU 21 2HB GLU 21 17.725 5.829 -0.759 167 2HB GLU 21 3HB GLU 21 17.926 4.099 -0.564 168 1HG GLU 21 2HG GLU 21 17.333 3.633 -2.763 169 2HG GLU 21 3HG GLU 21 16.210 4.974 -2.864 170 HE2 GLU 21 HE2 GLU 21 18.423 5.244 -5.071 171 H GLY 22 HN GLY 22 14.844 2.424 -0.032 172 1HA GLY 22 1HA GLY 22 15.874 0.952 1.711 173 2HA GLY 22 2HA GLY 22 15.655 2.299 2.810 174 H HIS 23 HN HIS 23 13.103 2.554 0.667 175 HA HIS 23 HA HIS 23 11.440 0.476 1.622 176 1HB HIS 23 2HB HIS 23 10.029 1.591 3.109 177 2HB HIS 23 3HB HIS 23 11.643 2.037 3.625 178 HD1 HIS 23 HD1 HIS 23 12.385 4.523 3.292 179 HD2 HIS 23 HD2 HIS 23 8.463 3.702 2.054 180 HE1 HIS 23 HE1 HIS 23 11.257 6.785 2.943 181 H ILE 24 HN ILE 24 9.225 0.648 0.674 182 HA ILE 24 HA ILE 24 9.325 2.352 -1.714 183 HB ILE 24 HB ILE 24 8.056 0.716 -2.852 184 1HG1 ILE 24 2HG1 ILE 24 7.832 -0.878 -0.285 185 2HG1 ILE 24 3HG1 ILE 24 6.565 0.159 -0.909 186 1HG2 ILE 24 3HG2 ILE 24 10.613 0.219 -1.825 187 2HG2 ILE 24 1HG2 ILE 24 9.729 -1.315 -1.648 188 3HG2 ILE 24 2HG2 ILE 24 9.848 -0.536 -3.244 189 1HD1 ILE 24 3HD1 ILE 24 7.809 -2.155 -2.463 190 2HD1 ILE 24 1HD1 ILE 24 6.268 -2.238 -1.577 191 3HD1 ILE 24 2HD1 ILE 24 6.429 -1.157 -2.981 192 H ALA 25 HN ALA 25 7.158 3.140 -2.499 193 HA ALA 25 HA ALA 25 5.923 4.683 -0.625 194 1HB ALA 25 1HB ALA 25 4.889 3.511 -3.235 195 2HB ALA 25 2HB ALA 25 4.054 4.794 -2.327 196 3HB ALA 25 3HB ALA 25 5.678 5.087 -2.991 197 H LYS 26 HN LYS 26 5.236 1.290 -1.567 198 HA LYS 26 HA LYS 26 2.792 1.061 -0.245 199 1HB LYS 26 2HB LYS 26 4.852 -1.109 -0.734 200 2HB LYS 26 3HB LYS 26 3.138 -1.332 -0.450 201 1HG LYS 26 2HG LYS 26 3.871 0.519 -2.694 202 2HG LYS 26 3HG LYS 26 4.234 -1.177 -2.945 203 1HD LYS 26 2HD LYS 26 1.519 -0.545 -1.829 204 2HD LYS 26 3HD LYS 26 1.803 -0.083 -3.496 205 1HE LYS 26 2HE LYS 26 2.369 -2.366 -4.125 206 2HE LYS 26 3HE LYS 26 2.426 -2.879 -2.450 207 1HZ LYS 26 1HZ LYS 26 0.081 -2.356 -4.110 208 2HZ LYS 26 2HZ LYS 26 0.297 -3.502 -2.975 209 H ASN 27 HN ASN 27 6.193 0.543 0.855 210 HA ASN 27 HA ASN 27 5.189 -0.003 3.498 211 1HB ASN 27 2HB ASN 27 7.968 -0.024 2.232 212 2HB ASN 27 3HB ASN 27 7.755 -0.205 3.961 213 1HD2 ASN 27 2HD2 ASN 27 6.277 -3.102 1.374 214 2HD2 ASN 27 1HD2 ASN 27 6.378 -1.435 0.913 215 H CYS 28 HN CYS 28 5.277 2.723 1.859 216 HA CYS 28 HA CYS 28 7.035 4.303 3.499 217 1HB CYS 28 2HB CYS 28 6.803 4.795 1.095 218 2HB CYS 28 3HB CYS 28 5.096 5.130 1.313 219 H ARG 29 HN ARG 29 6.376 5.550 5.264 220 HA ARG 29 HA ARG 29 3.848 4.944 6.333 221 1HB ARG 29 2HB ARG 29 6.331 6.172 7.214 222 2HB ARG 29 3HB ARG 29 4.999 7.208 7.688 223 1HG ARG 29 2HG ARG 29 3.882 4.936 8.499 224 2HG ARG 29 3HG ARG 29 5.525 4.327 8.466 225 1HD ARG 29 2HD ARG 29 5.519 6.928 9.763 226 2HD ARG 29 3HD ARG 29 4.283 5.928 10.500 227 HE ARG 29 HE ARG 29 6.899 4.612 10.106 228 1HH1 ARG 29 2HH2 ARG 29 4.774 6.361 12.337 229 2HH1 ARG 29 1HH2 ARG 29 5.603 5.812 13.755 230 HH2 ARG 29 HH1 ARG 29 7.493 4.358 13.519 231 H ALA 30 HN ALA 30 5.267 7.607 4.450 232 HA ALA 30 HA ALA 30 3.394 9.592 5.041 233 1HB ALA 30 3HB ALA 30 5.095 9.048 2.576 234 2HB ALA 30 1HB ALA 30 4.201 10.558 2.867 235 3HB ALA 30 2HB ALA 30 5.516 10.078 3.965 236 HA PRO 31 HA PRO 31 -0.085 8.367 2.785 237 1HB PRO 31 2HB PRO 31 -1.193 10.748 2.033 238 2HB PRO 31 3HB PRO 31 -1.361 10.080 3.644 239 1HG PRO 31 2HG PRO 31 0.347 12.315 2.734 240 2HG PRO 31 3HG PRO 31 -0.158 11.910 4.363 241 1HD PRO 31 2HD PRO 31 2.418 11.430 3.194 242 2HD PRO 31 3HD PRO 31 1.876 10.923 4.782 243 H ARG 32 HN ARG 32 -1.009 7.844 0.779 244 HA ARG 32 HA ARG 32 0.854 7.763 -1.224 245 1HB ARG 32 2HB ARG 32 -2.191 7.673 -1.524 246 2HB ARG 32 3HB ARG 32 -1.035 7.032 -2.675 247 1HG ARG 32 2HG ARG 32 -1.290 6.085 0.219 248 2HG ARG 32 3HG ARG 32 -2.015 5.273 -1.154 249 1HD ARG 32 2HD ARG 32 0.909 5.845 -1.418 250 2HD ARG 32 3HD ARG 32 0.487 4.689 -0.171 251 HE ARG 32 HE ARG 32 0.491 4.156 -2.960 252 1HH1 ARG 32 2HH2 ARG 32 -1.641 3.637 -0.179 253 2HH1 ARG 32 1HH2 ARG 32 -2.372 2.216 -0.848 254 HH2 ARG 32 HH1 ARG 32 -1.669 1.437 -3.002 255 H LYS 33 HN LYS 33 1.726 9.535 -2.266 256 HA LYS 33 HA LYS 33 -0.171 11.524 -3.272 257 1HB LYS 33 2HB LYS 33 1.806 11.947 -1.218 258 2HB LYS 33 3HB LYS 33 2.235 12.882 -2.635 259 1HG LYS 33 2HG LYS 33 0.396 14.256 -2.458 260 2HG LYS 33 3HG LYS 33 -0.665 12.952 -1.967 261 1HD LYS 33 2HD LYS 33 0.091 13.055 0.323 262 2HD LYS 33 3HD LYS 33 1.471 14.051 -0.096 263 1HE LYS 33 2HE LYS 33 -0.820 15.471 -1.039 264 2HE LYS 33 3HE LYS 33 -1.252 14.877 0.552 265 1HZ LYS 33 1HZ LYS 33 -0.069 16.648 1.272 266 2HZ LYS 33 2HZ LYS 33 1.275 15.799 0.924 267 H LYS 34 HN LYS 34 1.456 13.110 -4.757 268 HA LYS 34 HA LYS 34 3.235 11.390 -6.270 269 1HB LYS 34 2HB LYS 34 0.606 11.549 -7.069 270 2HB LYS 34 3HB LYS 34 1.343 12.831 -8.008 271 1HG LYS 34 2HG LYS 34 3.181 10.661 -8.133 272 2HG LYS 34 3HG LYS 34 1.597 9.936 -8.328 273 1HD LYS 34 2HD LYS 34 1.069 11.566 -10.149 274 2HD LYS 34 3HD LYS 34 2.646 12.305 -9.948 275 1HE LYS 34 2HE LYS 34 3.130 10.831 -11.684 276 2HE LYS 34 3HE LYS 34 3.524 9.805 -10.319 277 1HZ LYS 34 1HZ LYS 34 1.908 8.411 -10.969 278 2HZ LYS 34 2HZ LYS 34 0.767 9.568 -10.849 279 H GLY 35 HN GLY 35 4.164 13.281 -4.622 280 1HA GLY 35 1HA GLY 35 4.377 15.796 -6.109 281 2HA GLY 35 2HA GLY 35 4.872 15.493 -4.456 282 H CYS 36 HN CYS 36 6.111 16.232 -7.394 283 HA CYS 36 HA CYS 36 8.106 14.346 -7.821 284 1HB CYS 36 2HB CYS 36 7.559 15.901 -9.558 285 2HB CYS 36 3HB CYS 36 7.914 17.283 -8.541 286 H TRP 37 HN TRP 37 9.822 13.823 -6.511 287 HA TRP 37 HA TRP 37 10.467 15.585 -4.316 288 1HB TRP 37 2HB TRP 37 12.204 13.311 -4.543 289 2HB TRP 37 3HB TRP 37 11.055 13.725 -3.286 290 HD1 TRP 37 HD1 TRP 37 8.454 12.754 -3.689 291 HE1 TRP 37 HE1 TRP 37 7.535 10.584 -4.877 292 HE3 TRP 37 HE3 TRP 37 12.656 11.820 -6.396 293 HZ2 TRP 37 HZ2 TRP 37 8.643 8.762 -6.773 294 HZ3 TRP 37 HZ3 TRP 37 12.655 9.825 -7.891 295 HH2 TRP 37 HH2 TRP 37 10.740 8.322 -8.105 296 H LYS 38 HN LYS 38 10.919 16.667 -6.969 297 HA LYS 38 HA LYS 38 13.839 16.883 -6.849 298 1HB LYS 38 2HB LYS 38 12.529 15.530 -8.859 299 2HB LYS 38 3HB LYS 38 12.674 17.136 -9.542 300 1HG LYS 38 2HG LYS 38 14.678 15.904 -10.140 301 2HG LYS 38 3HG LYS 38 15.137 17.118 -8.963 302 1HD LYS 38 2HD LYS 38 14.547 15.061 -7.265 303 2HD LYS 38 3HD LYS 38 15.026 14.135 -8.674 304 1HE LYS 38 2HE LYS 38 17.151 15.568 -8.777 305 2HE LYS 38 3HE LYS 38 16.686 16.253 -7.232 306 1HZ LYS 38 1HZ LYS 38 17.917 13.758 -7.714 307 2HZ LYS 38 2HZ LYS 38 17.608 14.460 -6.277 308 H CYS 39 HN CYS 39 10.714 18.284 -8.026 309 HA CYS 39 HA CYS 39 11.959 20.914 -7.714 310 1HB CYS 39 2HB CYS 39 10.078 21.721 -9.177 311 2HB CYS 39 3HB CYS 39 11.221 20.651 -9.964 312 H GLY 40 HN GLY 40 9.337 18.686 -6.791 313 1HA GLY 40 1HA GLY 40 8.279 18.767 -4.720 314 2HA GLY 40 2HA GLY 40 8.641 20.476 -4.581 315 H LYS 41 HN LYS 41 7.439 19.266 -7.675 316 HA LYS 41 HA LYS 41 4.969 20.743 -7.189 317 1HB LYS 41 2HB LYS 41 6.775 20.702 -9.322 318 2HB LYS 41 3HB LYS 41 5.403 19.786 -9.908 319 1HG LYS 41 2HG LYS 41 4.383 21.773 -10.319 320 2HG LYS 41 3HG LYS 41 4.197 21.944 -8.585 321 1HD LYS 41 2HD LYS 41 6.845 22.731 -9.793 322 2HD LYS 41 3HD LYS 41 5.479 23.794 -10.065 323 1HE LYS 41 2HE LYS 41 5.545 24.575 -7.928 324 2HE LYS 41 3HE LYS 41 5.575 22.955 -7.260 325 1HZ LYS 41 1HZ LYS 41 7.750 24.745 -7.599 326 2HZ LYS 41 2HZ LYS 41 7.724 23.333 -6.787 327 H GLU 42 HN GLU 42 3.051 19.727 -6.892 328 HA GLU 42 HA GLU 42 3.109 16.859 -6.985 329 1HB GLU 42 2HB GLU 42 0.942 16.997 -5.832 330 2HB GLU 42 3HB GLU 42 2.115 18.029 -5.038 331 1HG GLU 42 2HG GLU 42 1.207 19.999 -6.335 332 2HG GLU 42 3HG GLU 42 -0.010 18.948 -7.032 333 HE2 GLU 42 HE2 GLU 42 -1.752 18.446 -4.145 334 H GLY 43 HN GLY 43 2.324 15.637 -8.652 335 1HA GLY 43 1HA GLY 43 0.201 15.534 -10.068 336 2HA GLY 43 2HA GLY 43 0.782 17.048 -10.734 337 H HIS 44 HN HIS 44 3.573 16.624 -10.861 338 HA HIS 44 HA HIS 44 3.646 14.495 -12.862 339 1HB HIS 44 2HB HIS 44 5.281 15.712 -14.015 340 2HB HIS 44 3HB HIS 44 4.092 16.902 -13.526 341 HD1 HIS 44 HD1 HIS 44 4.874 18.821 -12.040 342 HD2 HIS 44 HD2 HIS 44 7.749 15.798 -12.473 343 HE1 HIS 44 HE1 HIS 44 7.027 19.730 -11.016 344 H GLN 45 HN GLN 45 6.174 13.750 -13.103 345 HA GLN 45 HA GLN 45 7.097 13.228 -10.390 346 1HB GLN 45 2HB GLN 45 7.593 10.897 -10.996 347 2HB GLN 45 3HB GLN 45 5.889 11.232 -11.227 348 1HG GLN 45 2HG GLN 45 6.902 11.907 -13.712 349 2HG GLN 45 3HG GLN 45 7.987 10.612 -13.248 350 1HE2 GLN 45 2HE2 GLN 45 5.764 8.203 -14.325 351 2HE2 GLN 45 1HE2 GLN 45 7.368 8.853 -14.250 352 H MET 46 HN MET 46 9.455 12.582 -10.307 353 HA MET 46 HA MET 46 11.004 14.395 -11.599 354 1HB MET 46 2HB MET 46 11.746 13.149 -9.604 355 2HB MET 46 3HB MET 46 11.664 11.625 -10.465 356 1HG MET 46 2HG MET 46 13.386 13.506 -11.904 357 2HG MET 46 3HG MET 46 13.916 13.350 -10.241 358 1HE MET 46 1HE MET 46 15.939 12.423 -10.509 359 2HE MET 46 2HE MET 46 16.360 10.778 -11.042 360 3HE MET 46 3HE MET 46 16.138 12.073 -12.243 361 H LYS 47 HN LYS 47 10.261 10.992 -12.547 362 HA LYS 47 HA LYS 47 12.053 10.784 -14.642 363 1HB LYS 47 2HB LYS 47 10.535 9.021 -13.511 364 2HB LYS 47 3HB LYS 47 9.309 9.527 -14.657 365 1HG LYS 47 2HG LYS 47 10.629 8.866 -16.545 366 2HG LYS 47 3HG LYS 47 12.104 8.796 -15.603 367 1HD LYS 47 2HD LYS 47 11.456 6.514 -15.901 368 2HD LYS 47 3HD LYS 47 11.014 6.895 -14.249 369 1HE LYS 47 2HE LYS 47 8.964 6.056 -14.827 370 2HE LYS 47 3HE LYS 47 8.704 7.628 -15.557 371 1HZ LYS 47 1HZ LYS 47 9.328 5.094 -16.872 372 2HZ LYS 47 2HZ LYS 47 8.337 6.288 -17.366 373 H ASP 48 HN ASP 48 8.898 12.430 -14.398 374 HA ASP 48 HA ASP 48 9.299 13.263 -17.164 375 1HB ASP 48 2HB ASP 48 7.154 11.879 -16.306 376 2HB ASP 48 3HB ASP 48 6.616 13.466 -15.795 377 HD1 ASP 48 HD2 ASP 48 7.322 14.749 -18.868 378 H CYS 49 HN CYS 49 10.567 14.509 -14.865 379 HA CYS 49 HA CYS 49 9.126 16.547 -13.703 380 1HB CYS 49 2HB CYS 49 11.393 15.762 -13.004 381 2HB CYS 49 3HB CYS 49 12.082 16.578 -14.394 382 H THR 50 HN THR 50 7.983 18.125 -14.775 383 HA THR 50 HA THR 50 8.730 18.870 -17.455 384 HB THR 50 HB THR 50 6.354 18.555 -16.705 385 HG1 THR 50 HG1 THR 50 5.744 20.637 -17.672 386 1HG2 THR 50 1HG2 THR 50 6.898 21.103 -15.090 387 2HG2 THR 50 2HG2 THR 50 5.312 20.327 -15.315 388 3HG2 THR 50 3HG2 THR 50 6.582 19.503 -14.378 389 H GLU 51 HN GLU 51 10.141 19.587 -14.592 390 HA GLU 51 HA GLU 51 10.374 22.416 -15.151 391 1HB GLU 51 2HB GLU 51 9.964 21.512 -12.800 392 2HB GLU 51 3HB GLU 51 11.581 20.839 -12.840 393 1HG GLU 51 2HG GLU 51 11.607 23.039 -11.725 394 2HG GLU 51 3HG GLU 51 12.538 23.106 -13.208 395 HE2 GLU 51 HE2 GLU 51 10.803 24.985 -14.988 396 H ARG 52 HN ARG 52 12.560 19.589 -14.443 397 HA ARG 52 HA ARG 52 14.500 19.037 -15.216 398 1HB ARG 52 2HB ARG 52 13.276 20.290 -17.464 399 2HB ARG 52 3HB ARG 52 14.904 20.933 -17.415 400 1HG ARG 52 2HG ARG 52 14.477 17.953 -17.074 401 2HG ARG 52 3HG ARG 52 14.410 18.651 -18.680 402 1HD ARG 52 2HD ARG 52 16.675 19.009 -18.757 403 2HD ARG 52 3HD ARG 52 16.736 19.604 -17.110 404 HE ARG 52 HE ARG 52 17.094 16.816 -17.985 405 1HH1 ARG 52 2HH2 ARG 52 16.450 18.961 -15.239 406 2HH1 ARG 52 1HH2 ARG 52 16.972 17.809 -14.058 407 HH2 ARG 52 HH1 ARG 52 17.753 15.660 -14.776 408 H GLN 53 HN GLN 53 15.834 19.764 -13.521 409 HA GLN 53 HA GLN 53 17.183 22.267 -14.068 410 1HB GLN 53 2HB GLN 53 15.216 22.316 -12.225 411 2HB GLN 53 3HB GLN 53 16.492 21.694 -11.198 412 1HG GLN 53 2HG GLN 53 17.204 23.835 -10.944 413 2HG GLN 53 3HG GLN 53 17.752 23.775 -12.607 414 1HE2 GLN 53 2HE2 GLN 53 14.464 25.923 -11.461 415 2HE2 GLN 53 1HE2 GLN 53 15.364 24.903 -10.389 416 H ALA 54 HN ALA 54 17.004 19.512 -11.692 417 HA ALA 54 HA ALA 54 18.552 18.130 -10.926 418 1HB ALA 54 1HB ALA 54 19.378 18.714 -13.677 419 2HB ALA 54 2HB ALA 54 20.755 18.280 -12.637 420 3HB ALA 54 3HB ALA 54 19.374 17.168 -12.795 421 H ASN 55 HN ASN 55 20.888 18.047 -10.019 422 HA ASN 55 HA ASN 55 21.252 20.197 -8.406 423 1HB ASN 55 2HB ASN 55 22.784 17.783 -9.176 424 2HB ASN 55 3HB ASN 55 23.837 19.105 -8.709 425 1HD2 ASN 55 2HD2 ASN 55 22.278 16.861 -5.889 426 2HD2 ASN 55 1HD2 ASN 55 22.629 16.456 -7.536 427 1H5* G 201 1H5* G 201 0.488 -19.471 -5.615 428 2H5* G 201 2H5* G 201 0.946 -17.982 -4.788 429 H4* G 201 H4* G 201 0.509 -19.511 -3.076 430 H3* G 201 H3* G 201 3.454 -19.184 -3.544 431 1H2* G 201 1H2* G 201 3.940 -20.697 -1.795 432 2HO* G 201 2HO* G 201 2.172 -19.732 -0.553 433 H1* G 201 H1* G 201 2.075 -22.610 -2.590 434 H8 G 201 H8 G 201 4.146 -20.565 -5.086 435 H1 G 201 H1 G 201 6.293 -26.562 -3.941 436 1H2 G 201 1H2 G 201 5.126 -27.447 -2.490 437 2H2 G 201 2H2 G 201 3.767 -26.678 -1.700 438 1H5* G 202 1H5* G 202 3.461 -18.764 0.631 439 2H5* G 202 2H5* G 202 4.113 -17.155 0.944 440 H4* G 202 H4* G 202 5.413 -18.627 2.228 441 H3* G 202 H3* G 202 6.788 -17.588 -0.193 442 1H2* G 202 1H2* G 202 8.686 -18.959 0.115 443 2HO* G 202 2HO* G 202 7.342 -19.592 2.584 444 H1* G 202 H1* G 202 7.169 -21.279 0.647 445 H8 G 202 H8 G 202 6.325 -18.789 -2.136 446 H1 G 202 H1 G 202 9.471 -24.114 -4.037 447 1H2 G 202 1H2 G 202 9.957 -25.253 -2.388 448 2H2 G 202 2H2 G 202 9.569 -24.828 -0.736 449 1H5* A 203 1H5* A 203 9.415 -17.628 2.575 450 2H5* A 203 2H5* A 203 10.351 -16.200 3.016 451 H4* A 203 H4* A 203 11.987 -17.741 2.487 452 H3* A 203 H3* A 203 11.461 -15.987 0.107 453 1H2* A 203 1H2* A 203 13.081 -17.136 -1.152 454 2HO* A 203 2HO* A 203 13.695 -18.300 1.411 455 H1* A 203 H1* A 203 12.300 -19.695 -0.177 456 H8 A 203 H8 A 203 9.765 -17.110 -1.386 457 1H6 A 203 1H6 A 203 9.774 -20.295 -6.754 458 2H6 A 203 2H6 A 203 9.026 -18.968 -5.895 459 H2 A 203 H2 A 203 12.847 -22.069 -4.079 460 1H5* C 204 1H5* C 204 15.460 -16.281 0.880 461 2H5* C 204 2H5* C 204 16.476 -14.870 0.584 462 H4* C 204 H4* C 204 17.324 -16.612 -0.765 463 H3* C 204 H3* C 204 15.752 -14.591 -2.354 464 1H2* C 204 1H2* C 204 16.287 -15.724 -4.334 465 2HO* C 204 2HO* C 204 18.423 -16.149 -4.130 466 H1* C 204 H1* C 204 16.038 -18.318 -3.196 467 1H4 C 204 1H4 C 204 10.564 -17.680 -6.379 468 2H4 C 204 2H4 C 204 10.059 -16.400 -5.298 469 H5 C 204 H5 C 204 11.408 -15.534 -3.564 470 H6 C 204 H6 C 204 13.595 -15.685 -2.428 471 1H5* U 205 1H5* U 205 19.634 -14.738 -3.246 472 2H5* U 205 2H5* U 205 20.748 -13.482 -3.784 473 H4* U 205 H4* U 205 20.534 -14.966 -5.592 474 H3* U 205 H3* U 205 18.778 -12.542 -6.069 475 1H2* U 205 1H2* U 205 18.356 -13.360 -8.191 476 2HO* U 205 2HO* U 205 20.516 -15.179 -8.102 477 H1* U 205 H1* U 205 18.730 -16.135 -7.500 478 H3 U 205 H3 U 205 14.558 -16.324 -9.201 479 H5 U 205 H5 U 205 14.093 -13.974 -5.764 480 H6 U 205 H6 U 205 16.531 -14.033 -5.514 481 1H5* A 206 1H5* A 206 21.223 -12.351 -8.692 482 2H5* A 206 2H5* A 206 22.021 -10.956 -9.420 483 H4* A 206 H4* A 206 20.405 -11.716 -10.970 484 H3* A 206 H3* A 206 19.224 -9.308 -9.536 485 1H2* A 206 1H2* A 206 17.712 -9.257 -11.289 486 2HO* A 206 2HO* A 206 18.500 -9.866 -13.361 487 H1* A 206 H1* A 206 17.871 -12.054 -11.913 488 H8 A 206 H8 A 206 17.184 -10.797 -8.383 489 1H6 A 206 1H6 A 206 11.164 -11.823 -9.676 490 2H6 A 206 2H6 A 206 12.283 -11.359 -8.414 491 H2 A 206 H2 A 206 13.523 -12.548 -13.371 492 1H5* G 207 1H5* G 207 20.429 -8.251 -13.029 493 2H5* G 207 2H5* G 207 20.556 -6.604 -13.648 494 H4* G 207 H4* G 207 18.497 -7.426 -14.426 495 H3* G 207 H3* G 207 17.712 -5.874 -11.931 496 1H2* G 207 1H2* G 207 15.715 -5.558 -13.151 497 2HO* G 207 2HO* G 207 15.864 -5.551 -15.395 498 H1* G 207 H1* G 207 15.753 -8.136 -14.286 499 H8 G 207 H8 G 207 16.651 -7.520 -10.621 500 H1 G 207 H1 G 207 10.561 -9.432 -11.690 501 1H2 G 207 1H2 G 207 10.222 -9.552 -13.721 502 2H2 G 207 2H2 G 207 11.413 -9.188 -14.951 503 1H5* C 208 1H5* C 208 18.425 -2.066 -14.534 504 2H5* C 208 2H5* C 208 17.831 -0.756 -13.513 505 H4* C 208 H4* C 208 16.411 -2.160 -15.453 506 H3* C 208 H3* C 208 15.697 -0.134 -13.372 507 1H2* C 208 1H2* C 208 13.597 -0.992 -13.205 508 2HO* C 208 2HO* C 208 13.640 -1.066 -16.073 509 H1* C 208 H1* C 208 13.695 -3.108 -15.200 510 1H4 C 208 1H4 C 208 11.885 -6.174 -9.919 511 2H4 C 208 2H4 C 208 13.438 -5.852 -9.183 512 H5 C 208 H5 C 208 15.126 -4.544 -10.191 513 H6 C 208 H6 C 208 15.745 -3.210 -12.174 514 1H5* G 209 1H5* G 209 14.482 2.732 -12.828 515 2H5* G 209 2H5* G 209 14.129 1.107 -13.414 516 H4* G 209 H4* G 209 12.533 3.196 -14.718 517 H3* G 209 H3* G 209 12.656 3.207 -11.779 518 1H2* G 209 1H2* G 209 10.385 2.781 -11.411 519 2HO* G 209 2HO* G 209 10.215 3.309 -14.238 520 H1* G 209 H1* G 209 10.040 0.792 -13.280 521 H8 G 209 H8 G 209 13.358 1.193 -11.401 522 H1 G 209 H1 G 209 9.403 -3.395 -9.123 523 1H2 G 209 1H2 G 209 7.636 -3.370 -10.185 524 2H2 G 209 2H2 G 209 7.278 -2.270 -11.497 525 1H5* G 210 1H5* G 210 9.842 5.485 -12.681 526 2H5* G 210 2H5* G 210 9.853 7.248 -12.656 527 H4* G 210 H4* G 210 8.748 5.445 -10.489 528 H3* G 210 H3* G 210 7.487 6.570 -12.870 529 1H2* G 210 1H2* G 210 6.626 8.364 -11.702 530 2HO* G 210 2HO* G 210 4.884 6.905 -11.881 531 H1* G 210 H1* G 210 6.650 7.480 -8.960 532 H8 G 210 H8 G 210 9.594 8.562 -11.172 533 H1 G 210 H1 G 210 7.759 12.839 -6.675 534 1H2 G 210 1H2 G 210 6.115 12.113 -5.665 535 2H2 G 210 2H2 G 210 5.347 10.574 -5.987 536 1H5* A 211 1H5* A 211 8.251 3.535 -10.782 537 2H5* A 211 2H5* A 211 8.296 1.774 -10.879 538 H4* A 211 H4* A 211 6.876 1.915 -9.144 539 H3* A 211 H3* A 211 5.142 2.161 -11.560 540 1H2* A 211 1H2* A 211 3.925 3.643 -10.195 541 2HO* A 211 2HO* A 211 3.421 0.956 -9.282 542 H1* A 211 H1* A 211 4.829 1.963 -7.797 543 H8 A 211 H8 A 211 4.877 5.698 -8.663 544 1H6 A 211 1H6 A 211 1.587 6.448 -3.412 545 2H6 A 211 2H6 A 211 2.354 7.294 -4.737 546 H2 A 211 H2 A 211 2.240 2.097 -4.034 547 1H5* G 212 1H5* G 212 3.180 -2.683 -9.790 548 2H5* G 212 2H5* G 212 3.657 -1.092 -9.200 549 H4* G 212 H4* G 212 5.174 -3.686 -8.856 550 H3* G 212 H3* G 212 3.494 -2.028 -6.993 551 1H2* G 212 1H2* G 212 4.924 -2.514 -5.211 552 2HO* G 212 2HO* G 212 5.860 -4.535 -7.037 553 H1* G 212 H1* G 212 7.288 -2.473 -6.850 554 H8 G 212 H8 G 212 4.442 -0.158 -5.748 555 H1 G 212 H1 G 212 10.418 2.132 -4.785 556 1H2 G 212 1H2 G 212 11.795 0.809 -5.560 557 2H2 G 212 2H2 G 212 11.393 -0.697 -6.353 558 1H5* G 213 1H5* G 213 3.189 -6.372 -8.750 559 2H5* G 213 2H5* G 213 3.791 -4.851 -9.410 560 H4* G 213 H4* G 213 1.600 -5.979 -10.985 561 H3* G 213 H3* G 213 3.611 -7.875 -10.145 562 1H2* G 213 1H2* G 213 4.810 -8.145 -12.105 563 2HO* G 213 2HO* G 213 2.449 -6.985 -13.280 564 H1* G 213 H1* G 213 4.668 -5.558 -13.117 565 H8 G 213 H8 G 213 5.170 -6.277 -9.386 566 H1 G 213 H1 G 213 10.538 -4.786 -12.679 567 1H2 G 213 1H2 G 213 10.080 -4.561 -14.677 568 2H2 G 213 2H2 G 213 8.480 -4.748 -15.358 569 1H5* C 214 1H5* C 214 1.866 -9.412 -13.573 570 2H5* C 214 2H5* C 214 1.664 -11.161 -13.670 571 H4* C 214 H4* C 214 3.164 -10.475 -15.396 572 H3* C 214 H3* C 214 4.516 -11.937 -13.128 573 1H2* C 214 1H2* C 214 6.511 -11.967 -14.392 574 2HO* C 214 2HO* C 214 5.418 -10.682 -16.617 575 H1* C 214 H1* C 214 6.347 -9.301 -15.189 576 1H4 C 214 1H4 C 214 9.849 -8.802 -9.903 577 2H4 C 214 2H4 C 214 8.504 -9.350 -8.926 578 H5 C 214 H5 C 214 6.421 -10.019 -9.812 579 H6 C 214 H6 C 214 5.100 -10.332 -11.875 580 1H5* U 215 1H5* U 215 5.023 -13.662 -16.445 581 2H5* U 215 2H5* U 215 5.104 -15.375 -16.858 582 H4* U 215 H4* U 215 7.229 -14.403 -17.313 583 H3* U 215 H3* U 215 7.253 -16.121 -14.823 584 1H2* U 215 1H2* U 215 9.495 -15.695 -14.596 585 2HO* U 215 2HO* U 215 9.346 -15.376 -17.455 586 H1* U 215 H1* U 215 9.640 -13.275 -16.116 587 H3 U 215 H3 U 215 11.219 -11.737 -12.194 588 H5 U 215 H5 U 215 7.271 -12.791 -11.278 589 H6 U 215 H6 U 215 7.091 -13.700 -13.548 590 1H5* A 216 1H5* A 216 9.365 -17.601 -17.779 591 2H5* A 216 2H5* A 216 9.618 -19.270 -18.288 592 H4* A 216 H4* A 216 11.736 -18.457 -17.679 593 H3* A 216 H3* A 216 10.541 -20.309 -15.666 594 1H2* A 216 1H2* A 216 12.177 -19.893 -14.090 595 2HO* A 216 2HO* A 216 13.899 -18.666 -15.968 596 H1* A 216 H1* A 216 12.728 -17.199 -15.082 597 H8 A 216 H8 A 216 9.323 -18.178 -13.745 598 1H6 A 216 1H6 A 216 11.190 -15.697 -8.331 599 2H6 A 216 2H6 A 216 9.823 -16.386 -9.178 600 H2 A 216 H2 A 216 14.655 -15.732 -11.112 601 1H5* G 217 1H5* G 217 14.130 -21.416 -16.514 602 2H5* G 217 2H5* G 217 14.847 -23.020 -16.364 603 H4* G 217 H4* G 217 15.563 -21.956 -14.443 604 H3* G 217 H3* G 217 12.961 -23.240 -13.524 605 1H2* G 217 1H2* G 217 13.923 -23.045 -11.390 606 2HO* G 217 2HO* G 217 16.459 -22.292 -12.157 607 H1* G 217 H1* G 217 15.287 -20.603 -12.099 608 H8 G 217 H8 G 217 11.547 -21.087 -12.615 609 H1 G 217 H1 G 217 13.180 -18.098 -7.112 610 1H2 G 217 1H2 G 217 15.231 -18.115 -6.901 611 2H2 G 217 2H2 G 217 16.343 -18.833 -8.045 612 1H5* U 218 1H5* U 218 16.084 -25.455 -12.626 613 2H5* U 218 2H5* U 218 16.187 -27.176 -12.258 614 H4* U 218 H4* U 218 16.643 -26.081 -10.238 615 H3* U 218 H3* U 218 13.723 -26.914 -10.199 616 1H2* U 218 1H2* U 218 13.741 -26.392 -7.932 617 2HO* U 218 2HO* U 218 15.544 -27.028 -6.857 618 H1* U 218 H1* U 218 15.703 -24.310 -8.167 619 H3 U 218 H3 U 218 12.302 -21.901 -6.466 620 H5 U 218 H5 U 218 10.840 -23.105 -10.201 621 H6 U 218 H6 U 218 12.871 -24.456 -10.451 622 1H5* C 219 1H5* C 219 15.667 -29.296 -6.728 623 2H5* C 219 2H5* C 219 14.704 -30.767 -6.873 624 H4* C 219 H4* C 219 14.540 -29.881 -4.635 625 H3* C 219 H3* C 219 12.071 -29.900 -6.318 626 1H2* C 219 1H2* C 219 10.796 -28.838 -4.656 627 2HO* C 219 2HO* C 219 11.852 -30.229 -3.063 628 H1* C 219 H1* C 219 12.956 -27.062 -3.959 629 1H4 C 219 1H4 C 219 8.862 -23.247 -7.002 630 2H4 C 219 2H4 C 219 9.170 -24.091 -8.503 631 H5 C 219 H5 C 219 10.556 -25.993 -8.683 632 H6 C 219 H6 C 219 12.007 -27.570 -7.455 633 1H5* C 220 1H5* C 220 10.765 -32.605 -2.952 634 2H5* C 220 2H5* C 220 10.532 -34.156 -3.756 635 H4* C 220 H4* C 220 8.544 -33.896 -2.630 636 H3* C 220 H3* C 220 8.279 -33.131 -5.468 637 1H2* C 220 1H2* C 220 6.173 -32.104 -5.230 638 2HO* C 220 2HO* C 220 4.934 -32.986 -3.671 639 H1* C 220 H1* C 220 6.934 -30.773 -2.815 640 1H4 C 220 1H4 C 220 7.270 -26.036 -7.042 641 2H4 C 220 2H4 C 220 8.448 -26.919 -7.987 642 H5 C 220 H5 C 220 9.192 -29.097 -7.459 643 H6 C 220 H6 C 220 8.986 -30.984 -5.880 No H/Q in entry = 643 Start of MODEL 8 1 H MET 1 HN MET 1 5.940 -12.429 4.656 2 HA MET 1 HA MET 1 3.478 -12.450 5.465 3 1HB MET 1 2HB MET 1 4.556 -9.765 6.008 4 2HB MET 1 3HB MET 1 3.185 -9.659 4.922 5 1HG MET 1 2HG MET 1 2.932 -11.444 7.346 6 2HG MET 1 3HG MET 1 2.860 -9.710 7.592 7 1HE MET 1 3HE MET 1 0.819 -9.693 8.518 8 2HE MET 1 1HE MET 1 0.253 -8.492 7.333 9 3HE MET 1 2HE MET 1 -0.769 -9.893 7.739 10 H GLN 2 HN GLN 2 1.835 -11.186 3.785 11 HA GLN 2 HA GLN 2 2.419 -12.231 1.338 12 1HB GLN 2 2HB GLN 2 0.423 -10.313 2.437 13 2HB GLN 2 3HB GLN 2 0.655 -10.214 0.703 14 1HG GLN 2 2HG GLN 2 0.499 -13.008 1.635 15 2HG GLN 2 3HG GLN 2 -0.933 -12.094 2.064 16 1HE2 GLN 2 1HE2 GLN 2 -2.382 -11.535 0.562 17 2HE2 GLN 2 2HE2 GLN 2 -2.273 -11.894 -1.129 18 H LYS 3 HN LYS 3 2.258 -10.630 -0.777 19 HA LYS 3 HA LYS 3 3.252 -9.113 -2.050 20 1HB LYS 3 2HB LYS 3 3.222 -7.821 0.520 21 2HB LYS 3 3HB LYS 3 4.729 -7.442 -0.289 22 1HG LYS 3 2HG LYS 3 3.221 -5.776 -1.070 23 2HG LYS 3 3HG LYS 3 3.307 -6.924 -2.392 24 1HD LYS 3 2HD LYS 3 1.067 -7.239 -2.271 25 2HD LYS 3 3HD LYS 3 1.236 -7.853 -0.638 26 1HE LYS 3 2HE LYS 3 0.211 -5.999 0.167 27 2HE LYS 3 3HE LYS 3 1.509 -5.004 -0.463 28 1HZ LYS 3 1HZ LYS 3 -1.043 -5.683 -1.776 29 2HZ LYS 3 2HZ LYS 3 -0.370 -4.214 -1.572 30 H GLY 4 HN GLY 4 4.391 -11.400 -2.246 31 1HA GLY 4 1HA GLY 4 6.943 -11.817 -1.206 32 2HA GLY 4 2HA GLY 4 6.296 -12.504 -2.684 33 H ASN 5 HN ASN 5 5.781 -9.709 -3.826 34 HA ASN 5 HA ASN 5 8.132 -9.513 -5.247 35 1HB ASN 5 2HB ASN 5 5.686 -8.539 -5.662 36 2HB ASN 5 3HB ASN 5 6.299 -7.123 -4.830 37 1HD2 ASN 5 2HD2 ASN 5 7.682 -5.808 -7.699 38 2HD2 ASN 5 1HD2 ASN 5 6.829 -5.618 -6.204 39 H PHE 6 HN PHE 6 7.319 -8.523 -2.038 40 HA PHE 6 HA PHE 6 8.689 -6.124 -1.782 41 1HB PHE 6 2HB PHE 6 7.185 -6.982 -0.050 42 2HB PHE 6 3HB PHE 6 8.040 -8.510 0.028 43 HD1 PHE 6 HD1 PHE 6 10.470 -8.445 0.904 44 HD2 PHE 6 HD2 PHE 6 7.699 -5.281 1.459 45 HE1 PHE 6 HE1 PHE 6 11.839 -7.583 2.823 46 HE2 PHE 6 HE2 PHE 6 9.068 -4.417 3.377 47 HZ PHE 6 HZ PHE 6 11.122 -5.579 4.035 48 H ARG 7 HN ARG 7 9.884 -9.304 -2.431 49 HA ARG 7 HA ARG 7 12.232 -9.269 -1.006 50 1HB ARG 7 2HB ARG 7 13.016 -10.956 -2.651 51 2HB ARG 7 3HB ARG 7 11.349 -11.264 -2.206 52 1HG ARG 7 2HG ARG 7 10.907 -9.637 -4.337 53 2HG ARG 7 3HG ARG 7 12.471 -10.269 -4.811 54 1HD ARG 7 2HD ARG 7 11.611 -12.607 -4.526 55 2HD ARG 7 3HD ARG 7 10.046 -11.973 -4.056 56 HE ARG 7 HE ARG 7 11.029 -10.988 -6.654 57 1HH1 ARG 7 2HH2 ARG 7 9.101 -13.453 -4.990 58 2HH1 ARG 7 1HH2 ARG 7 8.187 -13.868 -6.402 59 HH2 ARG 7 HH1 ARG 7 8.629 -12.729 -8.463 60 H ASN 8 HN ASN 8 11.174 -7.217 -3.547 61 HA ASN 8 HA ASN 8 13.427 -6.846 -5.042 62 1HB ASN 8 2HB ASN 8 12.483 -4.563 -5.509 63 2HB ASN 8 3HB ASN 8 11.253 -5.808 -5.599 64 1HD2 ASN 8 2HD2 ASN 8 10.148 -2.790 -3.590 65 2HD2 ASN 8 1HD2 ASN 8 10.921 -2.995 -5.126 66 H GLN 9 HN GLN 9 12.479 -5.641 -1.802 67 HA GLN 9 HA GLN 9 14.316 -3.606 -1.561 68 1HB GLN 9 2HB GLN 9 12.812 -5.364 0.369 69 2HB GLN 9 3HB GLN 9 14.088 -4.347 1.006 70 1HG GLN 9 2HG GLN 9 12.991 -2.369 -0.191 71 2HG GLN 9 3HG GLN 9 11.652 -3.427 -0.588 72 1HE2 GLN 9 2HE2 GLN 9 12.409 -2.442 3.378 73 2HE2 GLN 9 1HE2 GLN 9 13.682 -2.560 2.210 74 H ARG 10 HN ARG 10 14.862 -6.948 -1.960 75 HA ARG 10 HA ARG 10 16.900 -7.489 -0.250 76 1HB ARG 10 2HB ARG 10 17.567 -9.230 -1.857 77 2HB ARG 10 3HB ARG 10 15.818 -9.127 -1.820 78 1HG ARG 10 2HG ARG 10 15.765 -8.674 -4.039 79 2HG ARG 10 3HG ARG 10 16.751 -7.246 -3.794 80 1HD ARG 10 2HD ARG 10 18.195 -9.878 -3.726 81 2HD ARG 10 3HD ARG 10 17.569 -9.379 -5.284 82 HE ARG 10 HE ARG 10 18.990 -7.434 -5.231 83 1HH1 ARG 10 2HH2 ARG 10 19.408 -9.496 -2.380 84 2HH1 ARG 10 1HH2 ARG 10 20.916 -8.774 -1.926 85 HH2 ARG 10 HH1 ARG 10 21.820 -7.003 -3.265 86 H LYS 11 HN LYS 11 16.782 -5.201 -2.863 87 HA LYS 11 HA LYS 11 19.713 -5.073 -2.937 88 1HB LYS 11 2HB LYS 11 18.619 -5.509 -5.102 89 2HB LYS 11 3HB LYS 11 17.673 -4.044 -4.933 90 1HG LYS 11 2HG LYS 11 19.477 -2.650 -5.363 91 2HG LYS 11 3HG LYS 11 20.634 -3.725 -4.604 92 1HD LYS 11 2HD LYS 11 21.168 -3.884 -6.908 93 2HD LYS 11 3HD LYS 11 20.218 -5.327 -6.611 94 1HE LYS 11 2HE LYS 11 18.651 -4.673 -8.117 95 2HE LYS 11 3HE LYS 11 18.415 -3.154 -7.277 96 1HZ LYS 11 1HZ LYS 11 20.156 -2.156 -8.536 97 2HZ LYS 11 2HZ LYS 11 20.698 -3.577 -9.119 98 H THR 12 HN THR 12 17.278 -2.556 -3.748 99 HA THR 12 HA THR 12 17.352 -1.135 -1.375 100 HB THR 12 HB THR 12 19.891 -1.134 -2.246 101 HG1 THR 12 HG1 THR 12 18.240 1.150 -1.425 102 1HG2 THR 12 3HG2 THR 12 18.770 0.114 -4.438 103 2HG2 THR 12 1HG2 THR 12 19.103 1.513 -3.390 104 3HG2 THR 12 2HG2 THR 12 20.428 0.426 -3.869 105 H VAL 13 HN VAL 13 15.388 -1.826 -3.186 106 HA VAL 13 HA VAL 13 14.770 -0.243 -5.248 107 HB VAL 13 HB VAL 13 12.382 -0.439 -4.439 108 1HG1 VAL 13 2HG1 VAL 13 14.278 -2.494 -5.208 109 2HG1 VAL 13 3HG1 VAL 13 12.976 -3.176 -4.204 110 3HG1 VAL 13 1HG1 VAL 13 12.577 -2.279 -5.689 111 1HG2 VAL 13 1HG2 VAL 13 13.777 -1.764 -2.094 112 2HG2 VAL 13 2HG2 VAL 13 12.649 -0.386 -2.062 113 3HG2 VAL 13 3HG2 VAL 13 12.060 -2.010 -2.490 114 H LYS 14 HN LYS 14 13.536 1.763 -5.533 115 HA LYS 14 HA LYS 14 14.184 3.659 -3.391 116 1HB LYS 14 2HB LYS 14 15.334 4.343 -5.301 117 2HB LYS 14 3HB LYS 14 14.036 3.889 -6.386 118 1HG LYS 14 2HG LYS 14 12.946 5.885 -6.122 119 2HG LYS 14 3HG LYS 14 13.202 5.907 -4.389 120 1HD LYS 14 2HD LYS 14 14.829 7.455 -4.670 121 2HD LYS 14 3HD LYS 14 15.782 6.270 -5.542 122 1HE LYS 14 2HE LYS 14 14.017 7.005 -7.515 123 2HE LYS 14 3HE LYS 14 14.087 8.499 -6.602 124 1HZ LYS 14 1HZ LYS 14 16.490 8.506 -6.845 125 2HZ LYS 14 2HZ LYS 14 16.492 7.055 -7.582 126 H CYS 15 HN CYS 15 12.591 4.963 -2.490 127 HA CYS 15 HA CYS 15 9.939 3.963 -2.790 128 1HB CYS 15 2HB CYS 15 10.828 4.635 -0.592 129 2HB CYS 15 3HB CYS 15 10.994 6.288 -1.146 130 H PHE 16 HN PHE 16 8.738 4.560 -4.568 131 HA PHE 16 HA PHE 16 9.362 6.893 -6.048 132 1HB PHE 16 2HB PHE 16 7.164 4.766 -5.958 133 2HB PHE 16 3HB PHE 16 7.005 6.121 -7.057 134 HD1 PHE 16 HD1 PHE 16 9.749 6.483 -8.026 135 HD2 PHE 16 HD2 PHE 16 7.579 2.912 -7.285 136 HE1 PHE 16 HE1 PHE 16 11.156 5.276 -9.718 137 HE2 PHE 16 HE2 PHE 16 8.986 1.706 -8.976 138 HZ PHE 16 HZ PHE 16 10.758 2.902 -10.173 139 H ASN 17 HN ASN 17 7.912 6.601 -3.063 140 HA ASN 17 HA ASN 17 5.805 8.482 -3.580 141 1HB ASN 17 2HB ASN 17 5.857 6.455 -1.847 142 2HB ASN 17 3HB ASN 17 6.696 7.594 -0.814 143 1HD2 ASN 17 2HD2 ASN 17 3.559 8.518 0.401 144 2HD2 ASN 17 1HD2 ASN 17 5.072 7.720 0.676 145 H CYS 18 HN CYS 18 8.496 8.213 -1.124 146 HA CYS 18 HA CYS 18 8.568 11.069 -0.871 147 1HB CYS 18 2HB CYS 18 10.288 10.641 0.843 148 2HB CYS 18 3HB CYS 18 8.827 9.718 1.129 149 H GLY 19 HN GLY 19 10.633 8.367 -2.118 150 1HA GLY 19 1HA GLY 19 11.841 8.693 -4.152 151 2HA GLY 19 2HA GLY 19 12.123 10.363 -3.704 152 H LYS 20 HN LYS 20 12.341 7.636 -1.389 153 HA LYS 20 HA LYS 20 15.189 8.258 -1.119 154 1HB LYS 20 2HB LYS 20 13.205 8.178 0.779 155 2HB LYS 20 3HB LYS 20 13.896 6.575 0.930 156 1HG LYS 20 2HG LYS 20 16.023 7.390 1.528 157 2HG LYS 20 3HG LYS 20 15.777 8.931 0.731 158 1HD LYS 20 2HD LYS 20 14.065 9.532 2.484 159 2HD LYS 20 3HD LYS 20 14.394 8.015 3.297 160 1HE LYS 20 2HE LYS 20 16.067 9.058 4.421 161 2HE LYS 20 3HE LYS 20 16.951 9.155 2.911 162 1HZ LYS 20 1HZ LYS 20 14.932 11.194 3.652 163 2HZ LYS 20 2HZ LYS 20 16.496 11.343 4.080 164 H GLU 21 HN GLU 21 16.176 5.970 0.031 165 HA GLU 21 HA GLU 21 15.479 3.884 -1.872 166 1HB GLU 21 2HB GLU 21 18.045 5.314 -1.609 167 2HB GLU 21 3HB GLU 21 18.233 3.576 -1.487 168 1HG GLU 21 2HG GLU 21 17.440 3.189 -3.661 169 2HG GLU 21 3HG GLU 21 16.461 4.642 -3.683 170 HE2 GLU 21 HE2 GLU 21 18.988 6.644 -4.874 171 H GLY 22 HN GLY 22 15.104 1.940 -0.880 172 1HA GLY 22 1HA GLY 22 16.270 0.405 0.777 173 2HA GLY 22 2HA GLY 22 15.972 1.690 1.930 174 H HIS 23 HN HIS 23 13.363 2.375 0.383 175 HA HIS 23 HA HIS 23 11.788 0.021 0.980 176 1HB HIS 23 2HB HIS 23 10.376 1.018 2.565 177 2HB HIS 23 3HB HIS 23 12.003 1.393 3.097 178 HD1 HIS 23 HD1 HIS 23 12.753 3.882 3.054 179 HD2 HIS 23 HD2 HIS 23 8.852 3.244 1.651 180 HE1 HIS 23 HE1 HIS 23 11.661 6.184 2.907 181 H ILE 24 HN ILE 24 9.541 0.223 0.112 182 HA ILE 24 HA ILE 24 9.552 2.079 -2.159 183 HB ILE 24 HB ILE 24 8.215 0.515 -3.335 184 1HG1 ILE 24 2HG1 ILE 24 8.187 -1.350 -0.958 185 2HG1 ILE 24 3HG1 ILE 24 6.915 -0.175 -1.229 186 1HG2 ILE 24 2HG2 ILE 24 10.818 0.084 -2.700 187 2HG2 ILE 24 3HG2 ILE 24 10.090 -1.456 -2.186 188 3HG2 ILE 24 1HG2 ILE 24 9.889 -0.892 -3.863 189 1HD1 ILE 24 1HD1 ILE 24 6.746 -1.154 -3.632 190 2HD1 ILE 24 2HD1 ILE 24 7.723 -2.503 -3.006 191 3HD1 ILE 24 3HD1 ILE 24 6.130 -2.153 -2.294 192 H ALA 25 HN ALA 25 7.314 2.847 -2.838 193 HA ALA 25 HA ALA 25 6.169 4.345 -0.887 194 1HB ALA 25 2HB ALA 25 5.880 4.280 -3.487 195 2HB ALA 25 3HB ALA 25 4.514 3.194 -3.138 196 3HB ALA 25 1HB ALA 25 4.527 4.849 -2.481 197 H LYS 26 HN LYS 26 5.490 0.939 -1.779 198 HA LYS 26 HA LYS 26 3.141 0.652 -0.312 199 1HB LYS 26 2HB LYS 26 5.173 -1.537 -0.757 200 2HB LYS 26 3HB LYS 26 3.432 -1.679 -0.623 201 1HG LYS 26 2HG LYS 26 3.354 -0.112 -2.731 202 2HG LYS 26 3HG LYS 26 5.048 -0.519 -2.921 203 1HD LYS 26 2HD LYS 26 3.445 -2.015 -4.214 204 2HD LYS 26 3HD LYS 26 4.567 -2.871 -3.175 205 1HE LYS 26 2HE LYS 26 2.910 -3.553 -1.701 206 2HE LYS 26 3HE LYS 26 1.969 -2.090 -1.905 207 1HZ LYS 26 1HZ LYS 26 2.066 -3.595 -4.330 208 2HZ LYS 26 2HZ LYS 26 1.467 -4.503 -3.118 209 H ASN 27 HN ASN 27 6.607 0.157 0.601 210 HA ASN 27 HA ASN 27 5.755 -0.330 3.306 211 1HB ASN 27 2HB ASN 27 8.536 -0.251 2.022 212 2HB ASN 27 3HB ASN 27 8.240 -0.686 3.693 213 1HD2 ASN 27 2HD2 ASN 27 8.134 -3.475 0.873 214 2HD2 ASN 27 1HD2 ASN 27 8.893 -1.919 0.793 215 H CYS 28 HN CYS 28 5.640 2.365 1.704 216 HA CYS 28 HA CYS 28 7.524 3.976 3.187 217 1HB CYS 28 2HB CYS 28 7.140 4.418 0.782 218 2HB CYS 28 3HB CYS 28 5.459 4.785 1.113 219 H ARG 29 HN ARG 29 6.966 5.170 5.009 220 HA ARG 29 HA ARG 29 4.515 4.584 6.219 221 1HB ARG 29 2HB ARG 29 5.296 6.145 7.998 222 2HB ARG 29 3HB ARG 29 6.575 5.047 7.521 223 1HG ARG 29 2HG ARG 29 7.863 6.895 7.204 224 2HG ARG 29 3HG ARG 29 6.929 7.174 5.747 225 1HD ARG 29 2HD ARG 29 5.573 8.810 6.755 226 2HD ARG 29 3HD ARG 29 5.778 8.147 8.364 227 HE ARG 29 HE ARG 29 7.496 10.104 7.073 228 1HH1 ARG 29 2HH2 ARG 29 7.502 7.469 9.443 229 2HH1 ARG 29 1HH2 ARG 29 8.886 8.070 10.292 230 HH2 ARG 29 HH1 ARG 29 9.939 10.087 9.541 231 H ALA 30 HN ALA 30 5.723 7.184 4.137 232 HA ALA 30 HA ALA 30 3.808 9.133 4.823 233 1HB ALA 30 1HB ALA 30 5.493 8.663 2.332 234 2HB ALA 30 2HB ALA 30 4.532 10.131 2.631 235 3HB ALA 30 3HB ALA 30 5.884 9.718 3.711 236 HA PRO 31 HA PRO 31 0.345 7.693 2.670 237 1HB PRO 31 2HB PRO 31 -0.986 10.014 2.118 238 2HB PRO 31 3HB PRO 31 -1.030 9.235 3.686 239 1HG PRO 31 2HG PRO 31 0.447 11.659 2.862 240 2HG PRO 31 3HG PRO 31 0.049 11.113 4.478 241 1HD PRO 31 2HD PRO 31 2.602 10.926 3.184 242 2HD PRO 31 3HD PRO 31 2.173 10.278 4.755 243 H ARG 32 HN ARG 32 -0.701 7.309 0.662 244 HA ARG 32 HA ARG 32 1.055 7.358 -1.411 245 1HB ARG 32 2HB ARG 32 -1.999 7.415 -1.612 246 2HB ARG 32 3HB ARG 32 -0.907 6.816 -2.845 247 1HG ARG 32 2HG ARG 32 -0.327 5.537 -0.281 248 2HG ARG 32 3HG ARG 32 -2.025 5.354 -0.674 249 1HD ARG 32 2HD ARG 32 -1.492 3.715 -2.152 250 2HD ARG 32 3HD ARG 32 -0.600 4.881 -3.110 251 HE ARG 32 HE ARG 32 1.333 3.813 -2.381 252 1HH1 ARG 32 2HH2 ARG 32 -1.085 3.557 0.196 253 2HH1 ARG 32 1HH2 ARG 32 -0.038 2.679 1.261 254 HH2 ARG 32 HH1 ARG 32 2.191 2.160 0.551 255 H LYS 33 HN LYS 33 1.970 9.170 -2.341 256 HA LYS 33 HA LYS 33 0.135 11.269 -3.203 257 1HB LYS 33 2HB LYS 33 2.037 11.525 -1.049 258 2HB LYS 33 3HB LYS 33 2.507 12.571 -2.372 259 1HG LYS 33 2HG LYS 33 0.543 13.841 -2.264 260 2HG LYS 33 3HG LYS 33 -0.411 12.517 -1.625 261 1HD LYS 33 2HD LYS 33 1.296 12.802 0.458 262 2HD LYS 33 3HD LYS 33 1.397 14.435 -0.171 263 1HE LYS 33 2HE LYS 33 -1.357 13.259 0.102 264 2HE LYS 33 3HE LYS 33 -0.522 13.661 1.588 265 1HZ LYS 33 1HZ LYS 33 -1.107 15.522 -0.648 266 2HZ LYS 33 2HZ LYS 33 -1.711 15.593 0.863 267 H LYS 34 HN LYS 34 1.796 12.950 -4.515 268 HA LYS 34 HA LYS 34 3.624 11.326 -6.086 269 1HB LYS 34 2HB LYS 34 0.972 11.911 -6.958 270 2HB LYS 34 3HB LYS 34 2.067 12.882 -7.921 271 1HG LYS 34 2HG LYS 34 3.467 10.745 -8.267 272 2HG LYS 34 3HG LYS 34 2.143 9.857 -7.539 273 1HD LYS 34 2HD LYS 34 0.591 10.623 -9.286 274 2HD LYS 34 3HD LYS 34 1.806 11.692 -9.956 275 1HE LYS 34 2HE LYS 34 2.934 9.029 -9.797 276 2HE LYS 34 3HE LYS 34 1.361 8.914 -10.562 277 1HZ LYS 34 1HZ LYS 34 2.029 10.333 -12.279 278 2HZ LYS 34 2HZ LYS 34 3.252 11.002 -11.437 279 H GLY 35 HN GLY 35 4.498 13.059 -4.224 280 1HA GLY 35 1HA GLY 35 4.793 15.705 -5.404 281 2HA GLY 35 2HA GLY 35 5.339 15.167 -3.828 282 H CYS 36 HN CYS 36 6.415 16.158 -6.818 283 HA CYS 36 HA CYS 36 8.377 14.347 -7.506 284 1HB CYS 36 2HB CYS 36 7.817 16.070 -9.048 285 2HB CYS 36 3HB CYS 36 8.162 17.341 -7.891 286 H TRP 37 HN TRP 37 10.186 13.684 -6.397 287 HA TRP 37 HA TRP 37 10.932 15.123 -4.010 288 1HB TRP 37 2HB TRP 37 12.654 12.911 -4.734 289 2HB TRP 37 3HB TRP 37 11.685 13.166 -3.297 290 HD1 TRP 37 HD1 TRP 37 8.927 12.445 -3.656 291 HE1 TRP 37 HE1 TRP 37 7.850 10.392 -4.917 292 HE3 TRP 37 HE3 TRP 37 12.975 11.433 -6.561 293 HZ2 TRP 37 HZ2 TRP 37 8.791 8.615 -6.942 294 HZ3 TRP 37 HZ3 TRP 37 12.814 9.522 -8.154 295 HH2 TRP 37 HH2 TRP 37 10.813 8.135 -8.371 296 H LYS 38 HN LYS 38 11.226 16.639 -6.434 297 HA LYS 38 HA LYS 38 14.142 16.892 -6.445 298 1HB LYS 38 2HB LYS 38 12.730 15.823 -8.579 299 2HB LYS 38 3HB LYS 38 12.892 17.510 -9.025 300 1HG LYS 38 2HG LYS 38 15.280 15.949 -7.975 301 2HG LYS 38 3HG LYS 38 14.821 15.849 -9.663 302 1HD LYS 38 2HD LYS 38 16.140 17.698 -9.925 303 2HD LYS 38 3HD LYS 38 14.765 18.580 -9.288 304 1HE LYS 38 2HE LYS 38 15.676 18.429 -6.994 305 2HE LYS 38 3HE LYS 38 17.001 17.427 -7.553 306 1HZ LYS 38 1HZ LYS 38 18.000 19.224 -8.603 307 2HZ LYS 38 2HZ LYS 38 16.620 20.066 -8.796 308 H CYS 39 HN CYS 39 10.943 18.360 -7.307 309 HA CYS 39 HA CYS 39 12.139 20.951 -6.660 310 1HB CYS 39 2HB CYS 39 10.176 21.899 -7.925 311 2HB CYS 39 3HB CYS 39 11.327 21.003 -8.895 312 H GLY 40 HN GLY 40 9.599 18.547 -5.980 313 1HA GLY 40 1HA GLY 40 8.621 18.305 -3.881 314 2HA GLY 40 2HA GLY 40 8.946 19.988 -3.514 315 H LYS 41 HN LYS 41 7.670 19.221 -6.713 316 HA LYS 41 HA LYS 41 5.196 20.559 -5.956 317 1HB LYS 41 2HB LYS 41 6.911 20.797 -8.143 318 2HB LYS 41 3HB LYS 41 5.539 19.913 -8.782 319 1HG LYS 41 2HG LYS 41 4.347 21.888 -7.175 320 2HG LYS 41 3HG LYS 41 5.706 22.723 -7.903 321 1HD LYS 41 2HD LYS 41 4.905 22.427 -10.093 322 2HD LYS 41 3HD LYS 41 3.987 20.992 -9.681 323 1HE LYS 41 2HE LYS 41 2.177 22.393 -9.691 324 2HE LYS 41 3HE LYS 41 2.728 22.866 -8.096 325 1HZ LYS 41 1HZ LYS 41 3.069 24.301 -10.633 326 2HZ LYS 41 2HZ LYS 41 2.649 24.893 -9.174 327 H GLU 42 HN GLU 42 3.285 19.503 -5.733 328 HA GLU 42 HA GLU 42 3.370 16.661 -6.127 329 1HB GLU 42 2HB GLU 42 1.239 16.648 -4.899 330 2HB GLU 42 3HB GLU 42 2.430 17.600 -4.037 331 1HG GLU 42 2HG GLU 42 1.208 19.469 -5.751 332 2HG GLU 42 3HG GLU 42 -0.122 18.448 -5.245 333 HE2 GLU 42 HE2 GLU 42 -0.799 19.232 -2.755 334 H GLY 43 HN GLY 43 2.784 15.758 -8.049 335 1HA GLY 43 1HA GLY 43 0.510 15.767 -9.356 336 2HA GLY 43 2HA GLY 43 1.122 17.323 -9.881 337 H HIS 44 HN HIS 44 3.826 16.983 -10.238 338 HA HIS 44 HA HIS 44 3.845 15.022 -12.390 339 1HB HIS 44 2HB HIS 44 5.571 16.296 -13.387 340 2HB HIS 44 3HB HIS 44 4.349 17.433 -12.851 341 HD1 HIS 44 HD1 HIS 44 5.017 19.180 -11.092 342 HD2 HIS 44 HD2 HIS 44 8.008 16.336 -11.843 343 HE1 HIS 44 HE1 HIS 44 7.125 20.040 -9.940 344 H GLN 45 HN GLN 45 6.445 14.362 -12.728 345 HA GLN 45 HA GLN 45 7.327 13.447 -10.112 346 1HB GLN 45 2HB GLN 45 7.728 11.204 -10.936 347 2HB GLN 45 3HB GLN 45 6.064 11.618 -11.293 348 1HG GLN 45 2HG GLN 45 7.390 12.530 -13.568 349 2HG GLN 45 3HG GLN 45 8.319 11.103 -13.151 350 1HE2 GLN 45 2HE2 GLN 45 6.068 9.003 -14.705 351 2HE2 GLN 45 1HE2 GLN 45 7.695 9.492 -14.365 352 H MET 46 HN MET 46 9.684 12.645 -10.196 353 HA MET 46 HA MET 46 11.284 14.620 -11.139 354 1HB MET 46 2HB MET 46 11.559 11.912 -10.007 355 2HB MET 46 3HB MET 46 12.855 12.235 -11.141 356 1HG MET 46 2HG MET 46 13.266 14.445 -9.919 357 2HG MET 46 3HG MET 46 12.098 13.933 -8.717 358 1HE MET 46 2HE MET 46 15.274 13.962 -10.186 359 2HE MET 46 3HE MET 46 16.349 13.272 -8.947 360 3HE MET 46 1HE MET 46 15.759 12.252 -10.280 361 H LYS 47 HN LYS 47 10.463 11.465 -12.706 362 HA LYS 47 HA LYS 47 12.194 11.651 -14.849 363 1HB LYS 47 2HB LYS 47 11.038 9.607 -14.314 364 2HB LYS 47 3HB LYS 47 9.473 10.348 -14.581 365 1HG LYS 47 2HG LYS 47 10.225 10.805 -16.999 366 2HG LYS 47 3HG LYS 47 11.625 9.804 -16.674 367 1HD LYS 47 2HD LYS 47 10.239 8.139 -17.465 368 2HD LYS 47 3HD LYS 47 9.720 8.095 -15.791 369 1HE LYS 47 2HE LYS 47 7.624 8.764 -16.357 370 2HE LYS 47 3HE LYS 47 8.244 10.177 -17.187 371 1HZ LYS 47 1HZ LYS 47 7.013 8.431 -18.577 372 2HZ LYS 47 2HZ LYS 47 8.415 8.984 -19.192 373 H ASP 48 HN ASP 48 9.076 13.256 -14.208 374 HA ASP 48 HA ASP 48 9.387 14.561 -16.798 375 1HB ASP 48 2HB ASP 48 6.978 13.727 -15.183 376 2HB ASP 48 3HB ASP 48 6.834 15.162 -16.178 377 HD2 ASP 48 HD2 ASP 48 5.788 12.132 -17.956 378 H CYS 49 HN CYS 49 10.808 15.306 -14.338 379 HA CYS 49 HA CYS 49 9.525 17.205 -12.814 380 1HB CYS 49 2HB CYS 49 11.746 16.178 -12.314 381 2HB CYS 49 3HB CYS 49 12.465 17.163 -13.572 382 H THR 50 HN THR 50 8.466 19.003 -13.582 383 HA THR 50 HA THR 50 9.222 20.143 -16.117 384 HB THR 50 HB THR 50 6.841 19.843 -15.362 385 HG1 THR 50 HG1 THR 50 7.796 22.616 -15.472 386 1HG2 THR 50 2HG2 THR 50 7.620 22.026 -13.356 387 2HG2 THR 50 3HG2 THR 50 5.954 21.508 -13.709 388 3HG2 THR 50 1HG2 THR 50 7.092 20.379 -12.937 389 H GLU 51 HN GLU 51 10.707 20.287 -13.203 390 HA GLU 51 HA GLU 51 10.975 23.100 -12.983 391 1HB GLU 51 2HB GLU 51 11.178 21.404 -11.084 392 2HB GLU 51 3HB GLU 51 12.735 20.945 -11.742 393 1HG GLU 51 2HG GLU 51 13.309 22.570 -10.125 394 2HG GLU 51 3HG GLU 51 13.332 23.485 -11.620 395 HE2 GLU 51 HE2 GLU 51 12.752 24.214 -8.894 396 H ARG 52 HN ARG 52 13.293 20.421 -13.835 397 HA ARG 52 HA ARG 52 14.263 21.756 -16.047 398 1HB ARG 52 2HB ARG 52 15.220 23.127 -13.972 399 2HB ARG 52 3HB ARG 52 16.351 21.793 -13.844 400 1HG ARG 52 2HG ARG 52 16.152 22.621 -16.628 401 2HG ARG 52 3HG ARG 52 16.473 24.025 -15.630 402 1HD ARG 52 2HD ARG 52 18.474 23.020 -14.692 403 2HD ARG 52 3HD ARG 52 18.073 21.444 -15.344 404 HE ARG 52 HE ARG 52 18.342 23.534 -17.391 405 1HH1 ARG 52 2HH2 ARG 52 20.052 21.060 -15.517 406 2HH1 ARG 52 1HH2 ARG 52 21.350 20.918 -16.656 407 HH2 ARG 52 HH1 ARG 52 21.329 22.271 -18.633 408 H GLN 53 HN GLN 53 15.541 19.823 -13.230 409 HA GLN 53 HA GLN 53 17.148 18.177 -14.722 410 1HB GLN 53 2HB GLN 53 16.040 18.238 -11.996 411 2HB GLN 53 3HB GLN 53 16.273 16.600 -12.571 412 1HG GLN 53 2HG GLN 53 18.363 17.172 -11.588 413 2HG GLN 53 3HG GLN 53 18.641 17.346 -13.309 414 1HE2 GLN 53 2HE2 GLN 53 19.976 20.297 -11.397 415 2HE2 GLN 53 1HE2 GLN 53 20.141 18.577 -11.274 416 H ALA 54 HN ALA 54 16.809 15.695 -14.972 417 HA ALA 54 HA ALA 54 14.229 14.641 -15.139 418 1HB ALA 54 2HB ALA 54 14.213 16.415 -17.018 419 2HB ALA 54 3HB ALA 54 15.339 15.335 -17.873 420 3HB ALA 54 1HB ALA 54 13.708 14.763 -17.445 421 H ASN 55 HN ASN 55 15.202 12.838 -14.186 422 HA ASN 55 HA ASN 55 17.591 11.779 -14.696 423 1HB ASN 55 2HB ASN 55 15.326 10.980 -13.304 424 2HB ASN 55 3HB ASN 55 15.412 9.736 -14.536 425 1HD2 ASN 55 2HD2 ASN 55 18.195 10.037 -11.520 426 2HD2 ASN 55 1HD2 ASN 55 17.023 11.270 -11.845 427 1H5* G 201 1H5* G 201 -0.971 -18.282 -5.747 428 2H5* G 201 2H5* G 201 -0.759 -17.350 -4.265 429 H4* G 201 H4* G 201 0.052 -19.396 -3.630 430 H3* G 201 H3* G 201 2.633 -18.332 -4.822 431 1H2* G 201 1H2* G 201 3.549 -19.679 -3.110 432 2HO* G 201 2HO* G 201 1.365 -20.352 -1.694 433 H1* G 201 H1* G 201 1.591 -21.681 -3.343 434 H8 G 201 H8 G 201 3.651 -19.720 -5.929 435 H1 G 201 H1 G 201 4.762 -26.092 -5.704 436 1H2 G 201 1H2 G 201 3.527 -26.957 -4.296 437 2H2 G 201 2H2 G 201 2.365 -26.085 -3.322 438 1H5* G 202 1H5* G 202 2.132 -17.027 -1.030 439 2H5* G 202 2H5* G 202 2.738 -15.550 -0.279 440 H4* G 202 H4* G 202 3.699 -17.130 1.060 441 H3* G 202 H3* G 202 5.654 -16.484 -1.120 442 1H2* G 202 1H2* G 202 7.197 -18.058 -0.270 443 2HO* G 202 2HO* G 202 7.081 -18.409 1.888 444 H1* G 202 H1* G 202 5.292 -20.078 0.098 445 H8 G 202 H8 G 202 5.281 -17.746 -2.941 446 H1 G 202 H1 G 202 7.911 -23.577 -3.924 447 1H2 G 202 1H2 G 202 7.946 -24.625 -2.149 448 2H2 G 202 2H2 G 202 7.351 -24.015 -0.620 449 1H5* A 203 1H5* A 203 7.998 -16.637 2.055 450 2H5* A 203 2H5* A 203 8.717 -15.074 2.443 451 H4* A 203 H4* A 203 10.530 -16.514 2.461 452 H3* A 203 H3* A 203 10.369 -15.030 -0.126 453 1H2* A 203 1H2* A 203 12.163 -16.218 -1.054 454 2HO* A 203 2HO* A 203 13.035 -17.750 0.939 455 H1* A 203 H1* A 203 11.389 -18.725 0.017 456 H8 A 203 H8 A 203 8.891 -16.344 -1.624 457 1H6 A 203 1H6 A 203 9.540 -19.916 -6.700 458 2H6 A 203 2H6 A 203 8.667 -18.559 -6.023 459 H2 A 203 H2 A 203 12.381 -21.367 -3.607 460 1H5* C 204 1H5* C 204 14.457 -15.229 1.088 461 2H5* C 204 2H5* C 204 15.290 -13.725 0.693 462 H4* C 204 H4* C 204 16.423 -15.547 -0.371 463 H3* C 204 H3* C 204 14.948 -13.687 -2.210 464 1H2* C 204 1H2* C 204 15.622 -14.915 -4.083 465 2HO* C 204 2HO* C 204 17.593 -15.923 -3.946 466 H1* C 204 H1* C 204 15.388 -17.451 -2.790 467 1H4 C 204 1H4 C 204 10.209 -17.273 -6.490 468 2H4 C 204 2H4 C 204 9.548 -15.966 -5.534 469 H5 C 204 H5 C 204 10.691 -14.936 -3.742 470 H6 C 204 H6 C 204 12.771 -14.907 -2.413 471 1H5* U 205 1H5* U 205 19.325 -13.303 -2.517 472 2H5* U 205 2H5* U 205 20.026 -11.868 -3.264 473 H4* U 205 H4* U 205 20.503 -13.912 -4.530 474 H3* U 205 H3* U 205 19.051 -11.639 -5.770 475 1H2* U 205 1H2* U 205 18.377 -12.816 -7.637 476 2HO* U 205 2HO* U 205 20.438 -14.701 -6.943 477 H1* U 205 H1* U 205 18.367 -15.399 -6.284 478 H3 U 205 H3 U 205 14.280 -15.480 -8.211 479 H5 U 205 H5 U 205 13.990 -12.372 -5.418 480 H6 U 205 H6 U 205 16.390 -12.652 -5.005 481 1H5* A 206 1H5* A 206 21.442 -11.909 -8.776 482 2H5* A 206 2H5* A 206 21.970 -10.340 -9.382 483 H4* A 206 H4* A 206 20.327 -11.270 -10.871 484 H3* A 206 H3* A 206 19.017 -9.032 -9.278 485 1H2* A 206 1H2* A 206 17.511 -9.003 -11.036 486 2HO* A 206 2HO* A 206 19.404 -10.347 -12.696 487 H1* A 206 H1* A 206 17.939 -11.734 -11.831 488 H8 A 206 H8 A 206 17.059 -10.753 -8.257 489 1H6 A 206 1H6 A 206 11.192 -12.254 -9.772 490 2H6 A 206 2H6 A 206 12.235 -11.762 -8.455 491 H2 A 206 H2 A 206 13.691 -12.543 -13.435 492 1H5* G 207 1H5* G 207 20.120 -7.650 -12.771 493 2H5* G 207 2H5* G 207 20.155 -5.942 -13.209 494 H4* G 207 H4* G 207 18.264 -7.017 -14.245 495 H3* G 207 H3* G 207 17.431 -5.167 -11.985 496 1H2* G 207 1H2* G 207 15.266 -5.421 -12.747 497 2HO* G 207 2HO* G 207 15.136 -6.035 -15.134 498 H1* G 207 H1* G 207 15.746 -8.005 -13.986 499 H8 G 207 H8 G 207 16.346 -7.368 -10.290 500 H1 G 207 H1 G 207 10.555 -9.888 -11.705 501 1H2 G 207 1H2 G 207 10.313 -9.950 -13.752 502 2H2 G 207 2H2 G 207 11.501 -9.400 -14.913 503 1H5* C 208 1H5* C 208 17.830 -2.010 -15.577 504 2H5* C 208 2H5* C 208 17.399 -0.465 -14.843 505 H4* C 208 H4* C 208 15.758 -1.429 -16.509 506 H3* C 208 H3* C 208 15.033 -0.422 -13.798 507 1H2* C 208 1H2* C 208 12.825 -1.153 -13.953 508 2HO* C 208 2HO* C 208 13.414 -1.567 -16.741 509 H1* C 208 H1* C 208 13.469 -3.538 -15.412 510 1H4 C 208 1H4 C 208 12.070 -5.738 -9.602 511 2H4 C 208 2H4 C 208 13.500 -4.970 -8.949 512 H5 C 208 H5 C 208 14.949 -3.597 -10.212 513 H6 C 208 H6 C 208 15.385 -2.611 -12.433 514 1H5* G 209 1H5* G 209 12.704 0.999 -16.439 515 2H5* G 209 2H5* G 209 11.752 2.471 -16.638 516 H4* G 209 H4* G 209 10.469 0.995 -15.309 517 H3* G 209 H3* G 209 11.731 2.819 -13.234 518 1H2* G 209 1H2* G 209 9.702 2.394 -12.138 519 2HO* G 209 2HO* G 209 7.895 1.700 -13.574 520 H1* G 209 H1* G 209 9.356 -0.204 -12.954 521 H8 G 209 H8 G 209 12.766 1.431 -12.263 522 H1 G 209 H1 G 209 10.678 -2.716 -7.755 523 1H2 G 209 1H2 G 209 8.821 -3.436 -8.289 524 2H2 G 209 2H2 G 209 7.959 -2.984 -9.742 525 1H5* G 210 1H5* G 210 9.686 7.184 -12.961 526 2H5* G 210 2H5* G 210 10.671 6.896 -11.527 527 H4* G 210 H4* G 210 8.573 5.308 -10.947 528 H3* G 210 H3* G 210 7.544 6.923 -13.106 529 1H2* G 210 1H2* G 210 6.691 8.607 -11.816 530 2HO* G 210 2HO* G 210 4.726 7.696 -11.678 531 H1* G 210 H1* G 210 6.791 7.494 -9.147 532 H8 G 210 H8 G 210 9.713 8.701 -11.314 533 H1 G 210 H1 G 210 7.933 12.710 -6.555 534 1H2 G 210 1H2 G 210 6.279 11.945 -5.591 535 2H2 G 210 2H2 G 210 5.492 10.439 -6.010 536 1H5* A 211 1H5* A 211 7.999 3.433 -11.204 537 2H5* A 211 2H5* A 211 7.836 1.711 -11.547 538 H4* A 211 H4* A 211 6.690 1.829 -9.585 539 H3* A 211 H3* A 211 4.729 2.197 -11.803 540 1H2* A 211 1H2* A 211 3.701 3.639 -10.234 541 2HO* A 211 2HO* A 211 3.003 1.108 -9.128 542 H1* A 211 H1* A 211 4.695 1.758 -8.034 543 H8 A 211 H8 A 211 4.885 5.533 -8.690 544 1H6 A 211 1H6 A 211 2.096 6.130 -3.138 545 2H6 A 211 2H6 A 211 2.791 7.014 -4.477 546 H2 A 211 H2 A 211 2.460 1.796 -4.053 547 1H5* G 212 1H5* G 212 2.415 -2.099 -9.662 548 2H5* G 212 2H5* G 212 3.516 -0.820 -9.153 549 H4* G 212 H4* G 212 4.128 -3.783 -9.233 550 H3* G 212 H3* G 212 3.152 -2.016 -7.070 551 1H2* G 212 1H2* G 212 4.780 -2.691 -5.507 552 2HO* G 212 2HO* G 212 5.493 -4.598 -7.546 553 H1* G 212 H1* G 212 6.903 -2.579 -7.393 554 H8 G 212 H8 G 212 4.109 -0.167 -6.319 555 H1 G 212 H1 G 212 10.152 1.872 -5.220 556 1H2 G 212 1H2 G 212 11.491 0.465 -5.915 557 2H2 G 212 2H2 G 212 11.043 -1.042 -6.680 558 1H5* G 213 1H5* G 213 2.301 -6.591 -9.076 559 2H5* G 213 2H5* G 213 3.793 -5.688 -9.332 560 H4* G 213 H4* G 213 1.734 -6.194 -11.489 561 H3* G 213 H3* G 213 3.723 -8.035 -10.459 562 1H2* G 213 1H2* G 213 5.158 -8.146 -12.277 563 2HO* G 213 2HO* G 213 4.154 -8.146 -14.228 564 H1* G 213 H1* G 213 4.978 -5.473 -13.109 565 H8 G 213 H8 G 213 5.370 -6.842 -9.537 566 H1 G 213 H1 G 213 10.606 -3.978 -12.037 567 1H2 G 213 1H2 G 213 10.198 -3.351 -13.959 568 2H2 G 213 2H2 G 213 8.664 -3.569 -14.772 569 1H5* C 214 1H5* C 214 2.165 -9.583 -14.052 570 2H5* C 214 2H5* C 214 1.857 -11.316 -14.158 571 H4* C 214 H4* C 214 3.410 -10.821 -15.855 572 H3* C 214 H3* C 214 4.636 -12.198 -13.495 573 1H2* C 214 1H2* C 214 6.771 -12.163 -14.503 574 2HO* C 214 2HO* C 214 5.882 -12.680 -16.576 575 H1* C 214 H1* C 214 6.565 -9.479 -15.332 576 1H4 C 214 1H4 C 214 9.804 -8.929 -9.884 577 2H4 C 214 2H4 C 214 8.421 -9.496 -8.975 578 H5 C 214 H5 C 214 6.397 -10.206 -9.963 579 H6 C 214 H6 C 214 5.190 -10.549 -12.090 580 1H5* U 215 1H5* U 215 5.281 -14.556 -16.898 581 2H5* U 215 2H5* U 215 5.486 -16.298 -16.717 582 H4* U 215 H4* U 215 7.527 -15.070 -17.457 583 H3* U 215 H3* U 215 7.531 -16.804 -15.009 584 1H2* U 215 1H2* U 215 9.616 -16.090 -14.408 585 2HO* U 215 2HO* U 215 9.956 -15.808 -17.256 586 H1* U 215 H1* U 215 9.677 -13.732 -16.141 587 H3 U 215 H3 U 215 11.312 -11.978 -12.306 588 H5 U 215 H5 U 215 7.355 -12.948 -11.342 589 H6 U 215 H6 U 215 7.187 -14.026 -13.538 590 1H5* A 216 1H5* A 216 10.180 -17.996 -17.622 591 2H5* A 216 2H5* A 216 10.722 -19.623 -18.033 592 H4* A 216 H4* A 216 12.526 -18.541 -16.950 593 H3* A 216 H3* A 216 11.151 -20.544 -15.159 594 1H2* A 216 1H2* A 216 12.631 -20.052 -13.468 595 2HO* A 216 2HO* A 216 14.351 -20.655 -14.900 596 H1* A 216 H1* A 216 13.262 -17.396 -14.589 597 H8 A 216 H8 A 216 9.862 -18.240 -13.172 598 1H6 A 216 1H6 A 216 11.827 -15.535 -7.902 599 2H6 A 216 2H6 A 216 10.438 -16.233 -8.705 600 H2 A 216 H2 A 216 15.270 -15.794 -10.699 601 1H5* G 217 1H5* G 217 14.897 -22.401 -15.697 602 2H5* G 217 2H5* G 217 14.870 -24.067 -15.121 603 H4* G 217 H4* G 217 15.913 -22.512 -13.524 604 H3* G 217 H3* G 217 13.329 -23.771 -12.533 605 1H2* G 217 1H2* G 217 14.065 -23.152 -10.395 606 2HO* G 217 2HO* G 217 16.147 -24.056 -10.750 607 H1* G 217 H1* G 217 15.334 -20.755 -11.406 608 H8 G 217 H8 G 217 11.677 -21.557 -12.063 609 H1 G 217 H1 G 217 12.743 -17.690 -6.984 610 1H2 G 217 1H2 G 217 14.772 -17.547 -6.643 611 2H2 G 217 2H2 G 217 16.001 -18.354 -7.590 612 1H5* U 218 1H5* U 218 16.464 -26.013 -11.010 613 2H5* U 218 2H5* U 218 16.194 -27.618 -10.330 614 H4* U 218 H4* U 218 16.637 -26.047 -8.560 615 H3* U 218 H3* U 218 13.707 -26.857 -8.605 616 1H2* U 218 1H2* U 218 13.607 -25.985 -6.444 617 2HO* U 218 2HO* U 218 15.518 -26.068 -5.192 618 H1* U 218 H1* U 218 15.543 -23.939 -6.895 619 H3 U 218 H3 U 218 11.982 -21.336 -6.012 620 H5 U 218 H5 U 218 10.877 -23.277 -9.553 621 H6 U 218 H6 U 218 12.938 -24.592 -9.361 622 1H5* C 219 1H5* C 219 15.090 -27.998 -4.443 623 2H5* C 219 2H5* C 219 14.559 -29.678 -4.524 624 H4* C 219 H4* C 219 13.589 -28.825 -2.574 625 H3* C 219 H3* C 219 11.632 -29.020 -4.831 626 1H2* C 219 1H2* C 219 9.900 -28.125 -3.504 627 2HO* C 219 2HO* C 219 11.844 -28.335 -1.388 628 H1* C 219 H1* C 219 11.572 -26.107 -2.394 629 1H4 C 219 1H4 C 219 8.277 -22.908 -6.801 630 2H4 C 219 2H4 C 219 9.056 -23.819 -8.076 631 H5 C 219 H5 C 219 10.577 -25.584 -7.690 632 H6 C 219 H6 C 219 11.735 -26.923 -5.970 633 1H5* C 220 1H5* C 220 9.912 -31.412 -1.887 634 2H5* C 220 2H5* C 220 9.762 -33.116 -2.316 635 H4* C 220 H4* C 220 7.610 -32.653 -1.717 636 H3* C 220 H3* C 220 7.856 -32.241 -4.667 637 1H2* C 220 1H2* C 220 5.632 -31.460 -4.835 638 2HO* C 220 2HO* C 220 5.553 -32.269 -2.071 639 H1* C 220 H1* C 220 5.841 -29.753 -2.607 640 1H4 C 220 1H4 C 220 6.996 -25.761 -7.423 641 2H4 C 220 2H4 C 220 8.471 -26.616 -7.813 642 H5 C 220 H5 C 220 9.196 -28.568 -6.697 643 H6 C 220 H6 C 220 8.676 -30.196 -4.915 No H/Q in entry = 643 Start of MODEL 9 1 H MET 1 HN MET 1 4.985 -10.228 7.029 2 HA MET 1 HA MET 1 5.817 -12.190 6.147 3 1HB MET 1 2HB MET 1 3.949 -13.802 6.560 4 2HB MET 1 3HB MET 1 3.925 -12.518 7.752 5 1HG MET 1 2HG MET 1 2.125 -11.351 6.562 6 2HG MET 1 3HG MET 1 2.239 -12.455 5.205 7 1HE MET 1 3HE MET 1 0.834 -11.357 8.090 8 2HE MET 1 1HE MET 1 -0.630 -12.367 8.125 9 3HE MET 1 2HE MET 1 0.694 -12.680 9.273 10 H GLN 2 HN GLN 2 3.223 -10.702 4.218 11 HA GLN 2 HA GLN 2 3.793 -12.601 2.092 12 1HB GLN 2 2HB GLN 2 1.374 -11.624 3.060 13 2HB GLN 2 3HB GLN 2 1.630 -10.632 1.639 14 1HG GLN 2 2HG GLN 2 2.304 -13.076 0.611 15 2HG GLN 2 3HG GLN 2 1.162 -13.585 1.839 16 1HE2 GLN 2 2HE2 GLN 2 -0.562 -12.899 -1.430 17 2HE2 GLN 2 1HE2 GLN 2 0.797 -13.850 -0.932 18 H LYS 3 HN LYS 3 3.376 -11.326 -0.220 19 HA LYS 3 HA LYS 3 4.039 -9.750 -1.643 20 1HB LYS 3 2HB LYS 3 3.494 -8.202 0.472 21 2HB LYS 3 3HB LYS 3 5.229 -7.953 0.425 22 1HG LYS 3 2HG LYS 3 4.119 -7.821 -2.277 23 2HG LYS 3 3HG LYS 3 3.265 -6.714 -1.221 24 1HD LYS 3 2HD LYS 3 5.901 -6.282 -0.463 25 2HD LYS 3 3HD LYS 3 6.081 -6.627 -2.171 26 1HE LYS 3 2HE LYS 3 3.805 -4.828 -1.668 27 2HE LYS 3 3HE LYS 3 5.298 -4.169 -1.030 28 1HZ LYS 3 1HZ LYS 3 5.801 -3.614 -3.134 29 2HZ LYS 3 2HZ LYS 3 5.928 -5.188 -3.531 30 H GLY 4 HN GLY 4 5.473 -11.799 -1.862 31 1HA GLY 4 1HA GLY 4 8.073 -11.890 -0.870 32 2HA GLY 4 2HA GLY 4 7.495 -12.654 -2.336 33 H ASN 5 HN ASN 5 6.616 -9.966 -3.490 34 HA ASN 5 HA ASN 5 8.869 -9.480 -4.968 35 1HB ASN 5 2HB ASN 5 6.229 -8.654 -5.033 36 2HB ASN 5 3HB ASN 5 7.015 -7.161 -4.560 37 1HD2 ASN 5 2HD2 ASN 5 8.133 -6.364 -7.724 38 2HD2 ASN 5 1HD2 ASN 5 7.727 -5.909 -6.102 39 H PHE 6 HN PHE 6 8.030 -8.556 -1.725 40 HA PHE 6 HA PHE 6 9.210 -6.056 -1.504 41 1HB PHE 6 2HB PHE 6 7.804 -7.046 0.251 42 2HB PHE 6 3HB PHE 6 8.813 -8.476 0.337 43 HD1 PHE 6 HD1 PHE 6 10.959 -8.418 1.515 44 HD2 PHE 6 HD2 PHE 6 8.436 -5.008 1.391 45 HE1 PHE 6 HE1 PHE 6 12.258 -7.389 3.400 46 HE2 PHE 6 HE2 PHE 6 9.734 -3.979 3.277 47 HZ PHE 6 HZ PHE 6 11.629 -5.182 4.259 48 H ARG 7 HN ARG 7 10.650 -9.127 -2.169 49 HA ARG 7 HA ARG 7 13.009 -8.906 -0.785 50 1HB ARG 7 2HB ARG 7 12.264 -10.235 -3.423 51 2HB ARG 7 3HB ARG 7 13.899 -10.338 -2.804 52 1HG ARG 7 2HG ARG 7 13.137 -11.425 -0.753 53 2HG ARG 7 3HG ARG 7 11.458 -11.127 -1.153 54 1HD ARG 7 2HD ARG 7 13.170 -12.712 -3.087 55 2HD ARG 7 3HD ARG 7 12.552 -13.503 -1.651 56 HE ARG 7 HE ARG 7 10.325 -13.264 -2.467 57 1HH1 ARG 7 2HH2 ARG 7 12.654 -11.697 -4.630 58 2HH1 ARG 7 1HH2 ARG 7 11.525 -11.538 -5.934 59 HH2 ARG 7 HH1 ARG 7 9.287 -12.344 -5.652 60 H ASN 8 HN ASN 8 11.747 -6.908 -3.263 61 HA ASN 8 HA ASN 8 13.921 -6.354 -4.815 62 1HB ASN 8 2HB ASN 8 12.803 -4.151 -5.234 63 2HB ASN 8 3HB ASN 8 11.648 -5.468 -5.269 64 1HD2 ASN 8 2HD2 ASN 8 10.439 -2.530 -3.213 65 2HD2 ASN 8 1HD2 ASN 8 11.141 -2.696 -4.788 66 H GLN 9 HN GLN 9 12.964 -5.228 -1.540 67 HA GLN 9 HA GLN 9 14.697 -3.097 -1.329 68 1HB GLN 9 2HB GLN 9 13.260 -4.902 0.595 69 2HB GLN 9 3HB GLN 9 14.539 -3.897 1.248 70 1HG GLN 9 2HG GLN 9 13.332 -1.969 -0.147 71 2HG GLN 9 3HG GLN 9 11.954 -3.050 -0.079 72 1HE2 GLN 9 2HE2 GLN 9 13.574 -1.609 3.469 73 2HE2 GLN 9 1HE2 GLN 9 14.567 -1.967 2.095 74 H ARG 10 HN ARG 10 15.423 -6.385 -1.778 75 HA ARG 10 HA ARG 10 17.518 -6.798 -0.070 76 1HB ARG 10 2HB ARG 10 18.250 -8.524 -1.699 77 2HB ARG 10 3HB ARG 10 16.508 -8.560 -1.511 78 1HG ARG 10 2HG ARG 10 16.460 -6.930 -3.568 79 2HG ARG 10 3HG ARG 10 18.121 -7.427 -3.826 80 1HD ARG 10 2HD ARG 10 17.522 -9.682 -4.267 81 2HD ARG 10 3HD ARG 10 15.985 -9.544 -3.435 82 HE ARG 10 HE ARG 10 16.277 -7.816 -5.810 83 1HH1 ARG 10 2HH2 ARG 10 15.106 -10.908 -4.537 84 2HH1 ARG 10 1HH2 ARG 10 14.013 -11.177 -5.853 85 HH2 ARG 10 HH1 ARG 10 13.869 -9.555 -7.611 86 H LYS 11 HN LYS 11 17.204 -4.537 -2.659 87 HA LYS 11 HA LYS 11 20.124 -4.290 -2.858 88 1HB LYS 11 2HB LYS 11 19.017 -4.836 -4.981 89 2HB LYS 11 3HB LYS 11 17.973 -3.439 -4.820 90 1HG LYS 11 2HG LYS 11 20.453 -2.270 -4.484 91 2HG LYS 11 3HG LYS 11 20.853 -3.575 -5.582 92 1HD LYS 11 2HD LYS 11 18.556 -1.622 -6.065 93 2HD LYS 11 3HD LYS 11 20.169 -1.388 -6.708 94 1HE LYS 11 2HE LYS 11 19.555 -2.660 -8.486 95 2HE LYS 11 3HE LYS 11 19.551 -4.046 -7.413 96 1HZ LYS 11 1HZ LYS 11 17.353 -2.987 -8.682 97 2HZ LYS 11 2HZ LYS 11 17.317 -4.110 -7.504 98 H THR 12 HN THR 12 17.534 -1.924 -3.655 99 HA THR 12 HA THR 12 17.598 -0.438 -1.325 100 HB THR 12 HB THR 12 20.108 -0.325 -2.199 101 HG1 THR 12 HG1 THR 12 18.272 1.835 -1.473 102 1HG2 THR 12 3HG2 THR 12 18.990 0.650 -4.498 103 2HG2 THR 12 1HG2 THR 12 19.135 2.163 -3.571 104 3HG2 THR 12 2HG2 THR 12 20.583 1.183 -3.905 105 H VAL 13 HN VAL 13 15.608 -1.256 -3.024 106 HA VAL 13 HA VAL 13 14.863 0.227 -5.126 107 HB VAL 13 HB VAL 13 12.513 -0.049 -4.236 108 1HG1 VAL 13 1HG1 VAL 13 14.467 -2.029 -5.023 109 2HG1 VAL 13 2HG1 VAL 13 13.264 -2.750 -3.926 110 3HG1 VAL 13 3HG1 VAL 13 12.734 -1.931 -5.414 111 1HG2 VAL 13 3HG2 VAL 13 13.015 0.114 -1.841 112 2HG2 VAL 13 1HG2 VAL 13 12.214 -1.430 -2.224 113 3HG2 VAL 13 2HG2 VAL 13 13.970 -1.386 -1.931 114 H LYS 14 HN LYS 14 13.527 2.164 -5.432 115 HA LYS 14 HA LYS 14 14.152 4.155 -3.370 116 1HB LYS 14 2HB LYS 14 15.222 4.684 -5.440 117 2HB LYS 14 3HB LYS 14 13.763 4.382 -6.362 118 1HG LYS 14 2HG LYS 14 12.863 6.436 -5.871 119 2HG LYS 14 3HG LYS 14 13.403 6.388 -4.204 120 1HD LYS 14 2HD LYS 14 15.294 7.580 -4.665 121 2HD LYS 14 3HD LYS 14 15.671 6.601 -6.069 122 1HE LYS 14 2HE LYS 14 14.555 8.013 -7.537 123 2HE LYS 14 3HE LYS 14 13.331 8.453 -6.361 124 1HZ LYS 14 1HZ LYS 14 15.904 9.694 -6.841 125 2HZ LYS 14 2HZ LYS 14 14.537 10.358 -6.254 126 H CYS 15 HN CYS 15 12.527 5.428 -2.475 127 HA CYS 15 HA CYS 15 9.913 4.302 -2.672 128 1HB CYS 15 2HB CYS 15 10.832 5.069 -0.516 129 2HB CYS 15 3HB CYS 15 10.906 6.714 -1.116 130 H PHE 16 HN PHE 16 8.527 4.851 -4.318 131 HA PHE 16 HA PHE 16 9.041 7.208 -5.866 132 1HB PHE 16 2HB PHE 16 7.053 4.884 -5.809 133 2HB PHE 16 3HB PHE 16 6.769 6.231 -6.895 134 HD1 PHE 16 HD1 PHE 16 9.545 6.839 -7.763 135 HD2 PHE 16 HD2 PHE 16 7.572 3.119 -7.237 136 HE1 PHE 16 HE1 PHE 16 11.068 5.791 -9.462 137 HE2 PHE 16 HE2 PHE 16 9.096 2.071 -8.936 138 HZ PHE 16 HZ PHE 16 10.825 3.419 -10.027 139 H ASN 17 HN ASN 17 7.896 7.071 -2.872 140 HA ASN 17 HA ASN 17 5.542 8.684 -3.405 141 1HB ASN 17 2HB ASN 17 5.622 6.640 -1.732 142 2HB ASN 17 3HB ASN 17 6.466 7.740 -0.659 143 1HD2 ASN 17 2HD2 ASN 17 3.290 8.494 0.612 144 2HD2 ASN 17 1HD2 ASN 17 4.785 7.647 0.825 145 H CYS 18 HN CYS 18 8.535 8.500 -1.336 146 HA CYS 18 HA CYS 18 8.350 11.382 -0.934 147 1HB CYS 18 2HB CYS 18 10.035 11.034 0.846 148 2HB CYS 18 3HB CYS 18 8.567 10.115 1.116 149 H GLY 19 HN GLY 19 10.425 8.700 -2.159 150 1HA GLY 19 1HA GLY 19 11.731 8.999 -4.107 151 2HA GLY 19 2HA GLY 19 11.953 10.690 -3.703 152 H LYS 20 HN LYS 20 12.160 8.133 -1.224 153 HA LYS 20 HA LYS 20 15.055 8.629 -1.117 154 1HB LYS 20 2HB LYS 20 12.950 8.600 0.971 155 2HB LYS 20 3HB LYS 20 14.435 7.766 1.387 156 1HG LYS 20 2HG LYS 20 15.649 9.707 1.493 157 2HG LYS 20 3HG LYS 20 14.910 10.366 0.049 158 1HD LYS 20 2HD LYS 20 13.592 11.696 1.320 159 2HD LYS 20 3HD LYS 20 12.857 10.282 2.048 160 1HE LYS 20 2HE LYS 20 14.194 10.378 3.945 161 2HE LYS 20 3HE LYS 20 15.576 11.018 3.077 162 1HZ LYS 20 1HZ LYS 20 13.241 12.766 3.263 163 2HZ LYS 20 2HZ LYS 20 14.079 12.538 4.640 164 H GLU 21 HN GLU 21 16.447 6.860 -0.949 165 HA GLU 21 HA GLU 21 15.244 4.402 -1.787 166 1HB GLU 21 2HB GLU 21 18.023 5.524 -1.627 167 2HB GLU 21 3HB GLU 21 17.870 3.779 -1.585 168 1HG GLU 21 2HG GLU 21 17.390 3.683 -3.805 169 2HG GLU 21 3HG GLU 21 16.123 4.883 -3.649 170 HE2 GLU 21 HE2 GLU 21 18.676 6.356 -5.762 171 H GLY 22 HN GLY 22 15.325 2.393 -0.646 172 1HA GLY 22 1HA GLY 22 16.301 1.212 1.274 173 2HA GLY 22 2HA GLY 22 16.015 2.660 2.220 174 H HIS 23 HN HIS 23 13.478 2.500 0.020 175 HA HIS 23 HA HIS 23 11.888 0.469 1.048 176 1HB HIS 23 2HB HIS 23 10.490 1.484 2.622 177 2HB HIS 23 3HB HIS 23 12.110 1.940 3.110 178 HD1 HIS 23 HD1 HIS 23 12.783 4.453 2.899 179 HD2 HIS 23 HD2 HIS 23 8.858 3.610 1.685 180 HE1 HIS 23 HE1 HIS 23 11.604 6.705 2.682 181 H ILE 24 HN ILE 24 9.637 0.611 0.185 182 HA ILE 24 HA ILE 24 9.600 2.413 -2.133 183 HB ILE 24 HB ILE 24 8.356 0.788 -3.299 184 1HG1 ILE 24 2HG1 ILE 24 8.231 -0.924 -0.802 185 2HG1 ILE 24 3HG1 ILE 24 6.930 0.128 -1.327 186 1HG2 ILE 24 1HG2 ILE 24 10.927 0.426 -2.665 187 2HG2 ILE 24 2HG2 ILE 24 10.261 -1.072 -1.975 188 3HG2 ILE 24 3HG2 ILE 24 10.018 -0.702 -3.698 189 1HD1 ILE 24 3HD1 ILE 24 8.121 -1.881 -3.261 190 2HD1 ILE 24 1HD1 ILE 24 6.895 -2.384 -2.073 191 3HD1 ILE 24 2HD1 ILE 24 6.505 -1.136 -3.279 192 H ALA 25 HN ALA 25 7.388 3.171 -2.807 193 HA ALA 25 HA ALA 25 6.174 4.584 -0.816 194 1HB ALA 25 1HB ALA 25 5.023 3.518 -3.425 195 2HB ALA 25 2HB ALA 25 4.295 4.815 -2.447 196 3HB ALA 25 3HB ALA 25 5.893 5.053 -3.195 197 H LYS 26 HN LYS 26 5.556 1.230 -1.920 198 HA LYS 26 HA LYS 26 3.149 0.855 -0.570 199 1HB LYS 26 2HB LYS 26 5.291 -1.187 -1.233 200 2HB LYS 26 3HB LYS 26 3.617 -1.532 -0.850 201 1HG LYS 26 2HG LYS 26 4.102 0.445 -3.058 202 2HG LYS 26 3HG LYS 26 4.519 -1.222 -3.399 203 1HD LYS 26 2HD LYS 26 1.884 -0.872 -2.056 204 2HD LYS 26 3HD LYS 26 1.980 -0.150 -3.651 205 1HE LYS 26 2HE LYS 26 2.847 -2.348 -4.554 206 2HE LYS 26 3HE LYS 26 2.637 -3.055 -2.963 207 1HZ LYS 26 1HZ LYS 26 0.262 -2.573 -3.106 208 2HZ LYS 26 2HZ LYS 26 0.437 -1.843 -4.551 209 H ASN 27 HN ASN 27 6.581 0.431 0.463 210 HA ASN 27 HA ASN 27 5.636 -0.274 3.091 211 1HB ASN 27 2HB ASN 27 8.472 -0.012 1.960 212 2HB ASN 27 3HB ASN 27 8.099 -0.598 3.568 213 1HD2 ASN 27 2HD2 ASN 27 8.354 -3.190 0.626 214 2HD2 ASN 27 1HD2 ASN 27 9.113 -1.642 0.777 215 H CYS 28 HN CYS 28 5.711 2.527 1.505 216 HA CYS 28 HA CYS 28 7.397 4.085 3.226 217 1HB CYS 28 2HB CYS 28 7.149 4.658 0.840 218 2HB CYS 28 3HB CYS 28 5.436 4.949 1.073 219 H ARG 29 HN ARG 29 6.696 5.314 5.001 220 HA ARG 29 HA ARG 29 4.186 4.585 6.058 221 1HB ARG 29 2HB ARG 29 6.587 5.446 7.127 222 2HB ARG 29 3HB ARG 29 5.629 6.906 7.268 223 1HG ARG 29 2HG ARG 29 5.004 5.905 9.258 224 2HG ARG 29 3HG ARG 29 3.788 5.185 8.220 225 1HD ARG 29 2HD ARG 29 6.422 3.749 8.373 226 2HD ARG 29 3HD ARG 29 5.434 3.713 9.820 227 HE ARG 29 HE ARG 29 3.675 3.103 7.716 228 1HH1 ARG 29 2HH2 ARG 29 6.637 1.693 9.054 229 2HH1 ARG 29 1HH2 ARG 29 6.226 0.076 8.588 230 HH2 ARG 29 HH1 ARG 29 4.160 -0.325 7.440 231 H ALA 30 HN ALA 30 5.548 7.346 4.275 232 HA ALA 30 HA ALA 30 3.663 9.284 4.928 233 1HB ALA 30 3HB ALA 30 5.923 9.362 3.595 234 2HB ALA 30 1HB ALA 30 4.892 9.039 2.180 235 3HB ALA 30 2HB ALA 30 4.618 10.494 3.168 236 HA PRO 31 HA PRO 31 0.123 8.025 2.787 237 1HB PRO 31 2HB PRO 31 -1.097 10.405 2.231 238 2HB PRO 31 3HB PRO 31 -1.168 9.637 3.804 239 1HG PRO 31 2HG PRO 31 0.420 11.982 2.957 240 2HG PRO 31 3HG PRO 31 0.006 11.464 4.579 241 1HD PRO 31 2HD PRO 31 2.539 11.147 3.270 242 2HD PRO 31 3HD PRO 31 2.088 10.528 4.847 243 H ARG 32 HN ARG 32 -0.981 7.719 0.785 244 HA ARG 32 HA ARG 32 0.771 7.659 -1.300 245 1HB ARG 32 2HB ARG 32 -2.283 7.825 -1.406 246 2HB ARG 32 3HB ARG 32 -1.271 7.278 -2.727 247 1HG ARG 32 2HG ARG 32 -0.669 5.875 -0.198 248 2HG ARG 32 3HG ARG 32 -2.338 5.671 -0.690 249 1HD ARG 32 2HD ARG 32 -1.663 4.110 -2.194 250 2HD ARG 32 3HD ARG 32 -0.821 5.368 -3.078 251 HE ARG 32 HE ARG 32 1.148 4.357 -2.366 252 1HH1 ARG 32 2HH2 ARG 32 -1.277 3.923 0.181 253 2HH1 ARG 32 1HH2 ARG 32 -0.197 3.076 1.237 254 HH2 ARG 32 HH1 ARG 32 2.062 2.685 0.539 255 H LYS 33 HN LYS 33 1.788 9.458 -2.163 256 HA LYS 33 HA LYS 33 0.040 11.663 -2.977 257 1HB LYS 33 2HB LYS 33 2.427 11.756 -1.195 258 2HB LYS 33 3HB LYS 33 2.286 13.024 -2.396 259 1HG LYS 33 2HG LYS 33 -0.074 13.464 -1.597 260 2HG LYS 33 3HG LYS 33 0.154 12.259 -0.345 261 1HD LYS 33 2HD LYS 33 1.380 13.678 0.958 262 2HD LYS 33 3HD LYS 33 2.356 14.218 -0.393 263 1HE LYS 33 2HE LYS 33 1.093 16.096 -0.699 264 2HE LYS 33 3HE LYS 33 -0.413 15.205 -0.596 265 1HZ LYS 33 1HZ LYS 33 -0.578 15.627 1.627 266 2HZ LYS 33 2HZ LYS 33 1.020 15.515 1.918 267 H LYS 34 HN LYS 34 1.734 13.215 -4.402 268 HA LYS 34 HA LYS 34 3.366 11.509 -6.074 269 1HB LYS 34 2HB LYS 34 0.686 11.938 -6.771 270 2HB LYS 34 3HB LYS 34 1.584 13.069 -7.764 271 1HG LYS 34 2HG LYS 34 2.882 11.350 -8.781 272 2HG LYS 34 3HG LYS 34 2.538 10.201 -7.504 273 1HD LYS 34 2HD LYS 34 0.296 9.840 -8.264 274 2HD LYS 34 3HD LYS 34 0.297 11.296 -9.241 275 1HE LYS 34 2HE LYS 34 2.318 9.130 -9.861 276 2HE LYS 34 3HE LYS 34 0.654 8.897 -10.363 277 1HZ LYS 34 1HZ LYS 34 1.176 11.445 -11.155 278 2HZ LYS 34 2HZ LYS 34 2.607 10.719 -11.430 279 H GLY 35 HN GLY 35 4.446 13.256 -4.385 280 1HA GLY 35 1HA GLY 35 4.679 15.856 -5.713 281 2HA GLY 35 2HA GLY 35 5.261 15.418 -4.119 282 H CYS 36 HN CYS 36 6.322 16.280 -7.112 283 HA CYS 36 HA CYS 36 8.219 14.370 -7.772 284 1HB CYS 36 2HB CYS 36 7.619 16.049 -9.373 285 2HB CYS 36 3HB CYS 36 8.094 17.351 -8.300 286 H TRP 37 HN TRP 37 10.000 13.712 -6.620 287 HA TRP 37 HA TRP 37 10.846 15.300 -4.363 288 1HB TRP 37 2HB TRP 37 12.496 13.006 -4.865 289 2HB TRP 37 3HB TRP 37 11.447 13.358 -3.506 290 HD1 TRP 37 HD1 TRP 37 8.773 12.523 -3.838 291 HE1 TRP 37 HE1 TRP 37 7.720 10.452 -5.090 292 HE3 TRP 37 HE3 TRP 37 12.811 11.583 -6.783 293 HZ2 TRP 37 HZ2 TRP 37 8.672 8.693 -7.125 294 HZ3 TRP 37 HZ3 TRP 37 12.667 9.670 -8.375 295 HH2 TRP 37 HH2 TRP 37 10.688 8.248 -8.574 296 H LYS 38 HN LYS 38 11.152 16.549 -6.966 297 HA LYS 38 HA LYS 38 14.079 16.692 -7.025 298 1HB LYS 38 2HB LYS 38 12.601 15.507 -9.030 299 2HB LYS 38 3HB LYS 38 12.763 17.150 -9.616 300 1HG LYS 38 2HG LYS 38 14.719 16.109 -10.435 301 2HG LYS 38 3HG LYS 38 15.291 16.927 -8.995 302 1HD LYS 38 2HD LYS 38 14.292 14.295 -8.261 303 2HD LYS 38 3HD LYS 38 15.423 14.129 -9.590 304 1HE LYS 38 2HE LYS 38 16.754 15.956 -7.991 305 2HE LYS 38 3HE LYS 38 15.917 15.001 -6.783 306 1HZ LYS 38 1HZ LYS 38 17.266 13.512 -8.903 307 2HZ LYS 38 2HZ LYS 38 18.228 14.239 -7.810 308 H CYS 39 HN CYS 39 10.926 18.235 -7.919 309 HA CYS 39 HA CYS 39 12.254 20.812 -7.517 310 1HB CYS 39 2HB CYS 39 10.296 21.748 -8.797 311 2HB CYS 39 3HB CYS 39 11.371 20.720 -9.725 312 H GLY 40 HN GLY 40 9.638 18.587 -6.569 313 1HA GLY 40 1HA GLY 40 8.717 18.558 -4.432 314 2HA GLY 40 2HA GLY 40 9.132 20.247 -4.209 315 H LYS 41 HN LYS 41 7.713 19.289 -7.294 316 HA LYS 41 HA LYS 41 5.332 20.805 -6.577 317 1HB LYS 41 2HB LYS 41 6.976 20.804 -8.816 318 2HB LYS 41 3HB LYS 41 5.574 19.900 -9.350 319 1HG LYS 41 2HG LYS 41 4.461 22.036 -7.895 320 2HG LYS 41 3HG LYS 41 5.818 22.771 -8.725 321 1HD LYS 41 2HD LYS 41 4.982 22.191 -10.881 322 2HD LYS 41 3HD LYS 41 3.923 20.949 -10.242 323 1HE LYS 41 2HE LYS 41 3.561 23.912 -9.600 324 2HE LYS 41 3HE LYS 41 2.778 23.136 -10.962 325 1HZ LYS 41 1HZ LYS 41 2.308 21.531 -8.724 326 2HZ LYS 41 2HZ LYS 41 1.993 23.059 -8.259 327 H GLU 42 HN GLU 42 3.396 19.858 -6.177 328 HA GLU 42 HA GLU 42 3.329 16.994 -6.361 329 1HB GLU 42 2HB GLU 42 1.246 17.185 -5.053 330 2HB GLU 42 3HB GLU 42 2.532 18.112 -4.306 331 1HG GLU 42 2HG GLU 42 1.185 19.933 -4.368 332 2HG GLU 42 3HG GLU 42 1.317 19.920 -6.114 333 HE1 GLU 42 HE2 GLU 42 -0.404 18.717 -3.498 334 H GLY 43 HN GLY 43 2.620 15.989 -8.188 335 1HA GLY 43 1HA GLY 43 0.295 15.998 -9.391 336 2HA GLY 43 2HA GLY 43 0.928 17.495 -10.045 337 H HIS 44 HN HIS 44 3.607 17.034 -10.491 338 HA HIS 44 HA HIS 44 3.460 14.941 -12.511 339 1HB HIS 44 2HB HIS 44 5.139 16.098 -13.690 340 2HB HIS 44 3HB HIS 44 4.011 17.319 -13.133 341 HD1 HIS 44 HD1 HIS 44 4.883 19.120 -11.526 342 HD2 HIS 44 HD2 HIS 44 7.680 16.098 -12.323 343 HE1 HIS 44 HE1 HIS 44 7.107 19.934 -10.573 344 H GLN 45 HN GLN 45 6.008 14.165 -12.930 345 HA GLN 45 HA GLN 45 7.021 13.429 -10.306 346 1HB GLN 45 2HB GLN 45 7.277 11.106 -10.948 347 2HB GLN 45 3HB GLN 45 5.609 11.563 -11.236 348 1HG GLN 45 2HG GLN 45 6.745 12.206 -13.669 349 2HG GLN 45 3HG GLN 45 7.746 10.849 -13.192 350 1HE2 GLN 45 2HE2 GLN 45 5.425 8.631 -14.480 351 2HE2 GLN 45 1HE2 GLN 45 7.050 9.227 -14.390 352 H MET 46 HN MET 46 9.338 12.629 -10.408 353 HA MET 46 HA MET 46 10.910 14.412 -11.721 354 1HB MET 46 2HB MET 46 11.818 13.146 -9.878 355 2HB MET 46 3HB MET 46 11.384 11.612 -10.606 356 1HG MET 46 2HG MET 46 13.831 12.027 -10.787 357 2HG MET 46 3HG MET 46 13.093 11.922 -12.373 358 1HE MET 46 3HE MET 46 15.172 12.854 -13.236 359 2HE MET 46 1HE MET 46 13.974 13.761 -14.191 360 3HE MET 46 2HE MET 46 15.390 14.599 -13.513 361 H LYS 47 HN LYS 47 9.824 11.146 -12.776 362 HA LYS 47 HA LYS 47 11.489 10.833 -14.950 363 1HB LYS 47 2HB LYS 47 9.407 9.443 -13.784 364 2HB LYS 47 3HB LYS 47 8.742 9.869 -15.348 365 1HG LYS 47 2HG LYS 47 11.400 9.075 -15.907 366 2HG LYS 47 3HG LYS 47 10.852 7.936 -14.694 367 1HD LYS 47 2HD LYS 47 9.128 8.609 -17.109 368 2HD LYS 47 3HD LYS 47 10.377 7.384 -17.203 369 1HE LYS 47 2HE LYS 47 8.706 7.047 -14.799 370 2HE LYS 47 3HE LYS 47 7.745 7.017 -16.265 371 1HZ LYS 47 1HZ LYS 47 10.195 5.466 -16.396 372 2HZ LYS 47 2HZ LYS 47 9.092 4.893 -15.344 373 H ASP 48 HN ASP 48 8.610 12.878 -14.495 374 HA ASP 48 HA ASP 48 9.080 13.848 -17.205 375 1HB ASP 48 2HB ASP 48 6.765 12.608 -16.313 376 2HB ASP 48 3HB ASP 48 6.381 14.293 -16.023 377 HD2 ASP 48 HD2 ASP 48 5.988 12.088 -18.587 378 H CYS 49 HN CYS 49 10.423 14.841 -14.878 379 HA CYS 49 HA CYS 49 9.133 16.822 -13.481 380 1HB CYS 49 2HB CYS 49 11.388 15.905 -12.955 381 2HB CYS 49 3HB CYS 49 12.052 16.786 -14.317 382 H THR 50 HN THR 50 7.986 18.511 -14.367 383 HA THR 50 HA THR 50 8.699 19.501 -16.986 384 HB THR 50 HB THR 50 6.327 19.104 -16.255 385 HG1 THR 50 HG1 THR 50 5.709 21.246 -17.041 386 1HG2 THR 50 1HG2 THR 50 7.178 20.542 -13.910 387 2HG2 THR 50 2HG2 THR 50 6.011 21.577 -14.768 388 3HG2 THR 50 3HG2 THR 50 5.545 19.931 -14.275 389 H GLU 51 HN GLU 51 10.177 19.909 -14.121 390 HA GLU 51 HA GLU 51 11.071 22.513 -14.931 391 1HB GLU 51 2HB GLU 51 9.083 22.589 -13.135 392 2HB GLU 51 3HB GLU 51 10.383 22.245 -12.011 393 1HG GLU 51 2HG GLU 51 10.367 24.558 -14.007 394 2HG GLU 51 3HG GLU 51 9.989 24.704 -12.302 395 HE1 GLU 51 HE2 GLU 51 12.876 23.306 -11.322 396 H ARG 52 HN ARG 52 12.940 21.115 -15.464 397 HA ARG 52 HA ARG 52 14.234 19.925 -13.195 398 1HB ARG 52 2HB ARG 52 14.420 19.722 -16.157 399 2HB ARG 52 3HB ARG 52 15.978 19.653 -15.358 400 1HG ARG 52 2HG ARG 52 13.940 18.012 -13.985 401 2HG ARG 52 3HG ARG 52 14.177 17.522 -15.651 402 1HD ARG 52 2HD ARG 52 16.758 18.060 -14.373 403 2HD ARG 52 3HD ARG 52 15.841 16.901 -13.431 404 HE ARG 52 HE ARG 52 15.923 15.360 -15.237 405 1HH1 ARG 52 2HH2 ARG 52 17.292 18.483 -16.199 406 2HH1 ARG 52 1HH2 ARG 52 18.001 17.864 -17.653 407 HH2 ARG 52 HH1 ARG 52 17.734 15.545 -18.195 408 H GLN 53 HN GLN 53 14.900 21.785 -11.960 409 HA GLN 53 HA GLN 53 17.330 22.906 -12.866 410 1HB GLN 53 2HB GLN 53 15.064 24.321 -13.673 411 2HB GLN 53 3HB GLN 53 15.526 25.151 -12.200 412 1HG GLN 53 2HG GLN 53 17.991 24.863 -13.379 413 2HG GLN 53 3HG GLN 53 16.978 24.957 -14.807 414 1HE2 GLN 53 2HE2 GLN 53 18.043 28.387 -13.922 415 2HE2 GLN 53 1HE2 GLN 53 18.788 26.889 -14.367 416 H ALA 54 HN ALA 54 18.369 24.249 -11.123 417 HA ALA 54 HA ALA 54 18.156 23.079 -8.658 418 1HB ALA 54 1HB ALA 54 19.490 25.375 -9.888 419 2HB ALA 54 2HB ALA 54 19.095 25.670 -8.178 420 3HB ALA 54 3HB ALA 54 20.077 24.257 -8.633 421 H ASN 55 HN ASN 55 17.455 24.077 -6.547 422 HA ASN 55 HA ASN 55 15.798 24.691 -5.281 423 1HB ASN 55 2HB ASN 55 16.656 26.947 -5.705 424 2HB ASN 55 3HB ASN 55 15.818 27.039 -7.241 425 1HD2 ASN 55 2HD2 ASN 55 12.647 27.847 -5.966 426 2HD2 ASN 55 1HD2 ASN 55 13.567 27.247 -7.307 427 1H5* G 201 1H5* G 201 2.974 -19.062 -8.750 428 2H5* G 201 2H5* G 201 3.701 -18.061 -7.494 429 H4* G 201 H4* G 201 1.635 -19.721 -7.071 430 H3* G 201 H3* G 201 3.828 -18.998 -5.102 431 1H2* G 201 1H2* G 201 2.571 -20.104 -3.476 432 2HO* G 201 2HO* G 201 0.414 -19.772 -3.620 433 H1* G 201 H1* G 201 1.520 -21.984 -5.452 434 H8 G 201 H8 G 201 4.089 -21.071 -2.922 435 H1 G 201 H1 G 201 4.295 -27.310 -4.628 436 1H2 G 201 1H2 G 201 3.095 -27.613 -6.277 437 2H2 G 201 2H2 G 201 2.170 -26.363 -7.079 438 1H5* G 202 1H5* G 202 2.198 -18.082 -2.731 439 2H5* G 202 2H5* G 202 2.527 -16.502 -2.019 440 H4* G 202 H4* G 202 3.460 -17.956 -0.488 441 H3* G 202 H3* G 202 5.605 -16.975 -2.350 442 1H2* G 202 1H2* G 202 7.211 -18.273 -1.262 443 2HO* G 202 2HO* G 202 5.421 -19.006 0.801 444 H1* G 202 H1* G 202 5.683 -20.546 -0.864 445 H8 G 202 H8 G 202 5.378 -18.388 -4.020 446 H1 G 202 H1 G 202 8.898 -23.781 -4.659 447 1H2 G 202 1H2 G 202 9.033 -24.735 -2.836 448 2H2 G 202 2H2 G 202 8.302 -24.160 -1.355 449 1H5* A 203 1H5* A 203 7.544 -17.205 1.773 450 2H5* A 203 2H5* A 203 8.360 -15.643 1.750 451 H4* A 203 H4* A 203 9.917 -17.492 2.129 452 H3* A 203 H3* A 203 10.227 -15.675 -0.190 453 1H2* A 203 1H2* A 203 11.790 -16.981 -1.291 454 2HO* A 203 2HO* A 203 12.995 -17.077 0.715 455 H1* A 203 H1* A 203 10.753 -19.501 -0.370 456 H8 A 203 H8 A 203 8.572 -16.893 -2.086 457 1H6 A 203 1H6 A 203 9.430 -20.251 -7.277 458 2H6 A 203 2H6 A 203 8.578 -18.881 -6.599 459 H2 A 203 H2 A 203 11.946 -21.998 -4.059 460 1H5* C 204 1H5* C 204 14.559 -15.939 1.220 461 2H5* C 204 2H5* C 204 15.234 -14.472 0.510 462 H4* C 204 H4* C 204 16.047 -16.720 -0.388 463 H3* C 204 H3* C 204 15.125 -14.449 -2.139 464 1H2* C 204 1H2* C 204 15.525 -15.708 -4.039 465 2HO* C 204 2HO* C 204 17.190 -17.225 -2.242 466 H1* C 204 H1* C 204 15.018 -18.257 -2.771 467 1H4 C 204 1H4 C 204 10.120 -17.615 -6.794 468 2H4 C 204 2H4 C 204 9.492 -16.291 -5.838 469 H5 C 204 H5 C 204 10.596 -15.389 -3.956 470 H6 C 204 H6 C 204 12.594 -15.536 -2.512 471 1H5* U 205 1H5* U 205 19.704 -14.238 -2.714 472 2H5* U 205 2H5* U 205 20.018 -12.645 -3.403 473 H4* U 205 H4* U 205 20.452 -14.612 -4.914 474 H3* U 205 H3* U 205 18.661 -12.334 -5.732 475 1H2* U 205 1H2* U 205 18.264 -13.335 -7.781 476 2HO* U 205 2HO* U 205 20.071 -14.130 -8.707 477 H1* U 205 H1* U 205 18.513 -16.038 -6.852 478 H3 U 205 H3 U 205 14.302 -16.202 -8.436 479 H5 U 205 H5 U 205 14.019 -13.491 -5.256 480 H6 U 205 H6 U 205 16.457 -13.646 -5.037 481 1H5* A 206 1H5* A 206 21.042 -12.344 -8.342 482 2H5* A 206 2H5* A 206 21.901 -11.019 -9.127 483 H4* A 206 H4* A 206 20.281 -11.702 -10.671 484 H3* A 206 H3* A 206 19.065 -9.323 -9.215 485 1H2* A 206 1H2* A 206 17.574 -9.262 -10.984 486 2HO* A 206 2HO* A 206 18.449 -9.565 -13.003 487 H1* A 206 H1* A 206 17.782 -12.055 -11.635 488 H8 A 206 H8 A 206 16.978 -10.847 -8.115 489 1H6 A 206 1H6 A 206 11.009 -11.903 -9.597 490 2H6 A 206 2H6 A 206 12.087 -11.448 -8.297 491 H2 A 206 H2 A 206 13.479 -12.553 -13.232 492 1H5* G 207 1H5* G 207 20.256 -8.178 -12.703 493 2H5* G 207 2H5* G 207 20.426 -6.507 -13.239 494 H4* G 207 H4* G 207 18.404 -7.300 -14.154 495 H3* G 207 H3* G 207 17.628 -5.717 -11.673 496 1H2* G 207 1H2* G 207 15.549 -5.534 -12.740 497 2HO* G 207 2HO* G 207 16.265 -6.532 -15.205 498 H1* G 207 H1* G 207 15.710 -8.108 -13.958 499 H8 G 207 H8 G 207 16.480 -7.543 -10.265 500 H1 G 207 H1 G 207 10.462 -9.550 -11.539 501 1H2 G 207 1H2 G 207 10.175 -9.616 -13.580 502 2H2 G 207 2H2 G 207 11.385 -9.191 -14.770 503 1H5* C 208 1H5* C 208 18.047 -2.091 -14.500 504 2H5* C 208 2H5* C 208 17.572 -0.708 -13.516 505 H4* C 208 H4* C 208 15.947 -2.234 -15.188 506 H3* C 208 H3* C 208 15.444 -0.067 -13.177 507 1H2* C 208 1H2* C 208 13.351 -0.880 -12.817 508 2HO* C 208 2HO* C 208 13.385 -0.922 -15.697 509 H1* C 208 H1* C 208 13.264 -3.107 -14.676 510 1H4 C 208 1H4 C 208 11.939 -5.813 -9.061 511 2H4 C 208 2H4 C 208 13.571 -5.505 -8.515 512 H5 C 208 H5 C 208 15.175 -4.308 -9.771 513 H6 C 208 H6 C 208 15.611 -3.102 -11.881 514 1H5* G 209 1H5* G 209 13.854 4.210 -14.307 515 2H5* G 209 2H5* G 209 14.482 2.939 -13.258 516 H4* G 209 H4* G 209 11.909 2.750 -14.839 517 H3* G 209 H3* G 209 12.275 3.298 -11.868 518 1H2* G 209 1H2* G 209 10.006 2.773 -11.733 519 2HO* G 209 2HO* G 209 8.819 2.953 -13.871 520 H1* G 209 H1* G 209 9.879 0.787 -13.594 521 H8 G 209 H8 G 209 13.034 1.458 -11.507 522 H1 G 209 H1 G 209 9.491 -3.635 -9.670 523 1H2 G 209 1H2 G 209 7.816 -3.776 -10.864 524 2H2 G 209 2H2 G 209 7.429 -2.678 -12.170 525 1H5* G 210 1H5* G 210 9.547 5.439 -12.849 526 2H5* G 210 2H5* G 210 9.488 7.197 -12.973 527 H4* G 210 H4* G 210 8.375 5.469 -10.758 528 H3* G 210 H3* G 210 7.169 6.714 -13.107 529 1H2* G 210 1H2* G 210 6.388 8.513 -11.897 530 2HO* G 210 2HO* G 210 4.701 7.145 -10.322 531 H1* G 210 H1* G 210 6.383 7.569 -9.175 532 H8 G 210 H8 G 210 9.344 8.585 -11.400 533 H1 G 210 H1 G 210 7.774 12.790 -6.737 534 1H2 G 210 1H2 G 210 6.119 12.102 -5.719 535 2H2 G 210 2H2 G 210 5.280 10.609 -6.074 536 1H5* A 211 1H5* A 211 7.763 3.476 -11.183 537 2H5* A 211 2H5* A 211 7.675 1.729 -11.403 538 H4* A 211 H4* A 211 6.525 1.882 -9.461 539 H3* A 211 H3* A 211 4.524 2.176 -11.653 540 1H2* A 211 1H2* A 211 3.529 3.683 -10.122 541 2HO* A 211 2HO* A 211 2.191 1.979 -8.826 542 H1* A 211 H1* A 211 4.536 1.881 -7.864 543 H8 A 211 H8 A 211 4.776 5.620 -8.682 544 1H6 A 211 1H6 A 211 2.072 6.497 -3.126 545 2H6 A 211 2H6 A 211 2.763 7.313 -4.510 546 H2 A 211 H2 A 211 2.356 2.124 -3.860 547 1H5* G 212 1H5* G 212 2.964 -2.808 -9.498 548 2H5* G 212 2H5* G 212 3.639 -1.288 -8.911 549 H4* G 212 H4* G 212 5.329 -3.715 -9.533 550 H3* G 212 H3* G 212 3.621 -3.303 -7.210 551 1H2* G 212 1H2* G 212 5.220 -2.797 -5.669 552 2HO* G 212 2HO* G 212 6.750 -4.680 -7.222 553 H1* G 212 H1* G 212 7.426 -2.452 -7.599 554 H8 G 212 H8 G 212 4.394 -0.357 -6.500 555 H1 G 212 H1 G 212 10.196 2.175 -5.153 556 1H2 G 212 1H2 G 212 11.674 0.889 -5.795 557 2H2 G 212 2H2 G 212 11.385 -0.647 -6.580 558 1H5* G 213 1H5* G 213 2.185 -4.642 -9.123 559 2H5* G 213 2H5* G 213 1.087 -5.946 -9.574 560 H4* G 213 H4* G 213 2.409 -5.213 -11.477 561 H3* G 213 H3* G 213 3.032 -8.009 -10.492 562 1H2* G 213 1H2* G 213 4.588 -8.144 -12.148 563 2HO* G 213 2HO* G 213 3.033 -6.513 -13.871 564 H1* G 213 H1* G 213 4.859 -5.500 -13.049 565 H8 G 213 H8 G 213 4.957 -6.438 -9.338 566 H1 G 213 H1 G 213 10.730 -5.608 -12.143 567 1H2 G 213 1H2 G 213 10.473 -5.254 -14.157 568 2H2 G 213 2H2 G 213 8.923 -5.191 -14.967 569 1H5* C 214 1H5* C 214 1.530 -9.655 -14.319 570 2H5* C 214 2H5* C 214 1.804 -11.334 -13.853 571 H4* C 214 H4* C 214 3.517 -9.981 -15.355 572 H3* C 214 H3* C 214 4.474 -11.852 -13.153 573 1H2* C 214 1H2* C 214 6.432 -11.927 -14.441 574 2HO* C 214 2HO* C 214 6.036 -11.013 -16.752 575 H1* C 214 H1* C 214 6.425 -9.289 -15.267 576 1H4 C 214 1H4 C 214 9.739 -8.800 -9.863 577 2H4 C 214 2H4 C 214 8.352 -9.310 -8.927 578 H5 C 214 H5 C 214 6.283 -9.938 -9.877 579 H6 C 214 H6 C 214 5.023 -10.232 -11.980 580 1H5* U 215 1H5* U 215 5.193 -14.311 -16.921 581 2H5* U 215 2H5* U 215 5.563 -15.893 -16.236 582 H4* U 215 H4* U 215 7.378 -14.406 -17.488 583 H3* U 215 H3* U 215 7.656 -16.422 -15.319 584 1H2* U 215 1H2* U 215 9.629 -15.576 -14.567 585 2HO* U 215 2HO* U 215 10.426 -16.475 -16.568 586 H1* U 215 H1* U 215 9.665 -13.128 -16.182 587 H3 U 215 H3 U 215 11.182 -11.525 -12.233 588 H5 U 215 H5 U 215 7.236 -12.652 -11.395 589 H6 U 215 H6 U 215 7.140 -13.623 -13.645 590 1H5* A 216 1H5* A 216 10.328 -17.581 -18.231 591 2H5* A 216 2H5* A 216 10.632 -19.291 -18.533 592 H4* A 216 H4* A 216 12.550 -18.343 -17.464 593 H3* A 216 H3* A 216 10.946 -20.203 -15.715 594 1H2* A 216 1H2* A 216 12.422 -19.871 -13.975 595 2HO* A 216 2HO* A 216 14.444 -18.798 -15.618 596 H1* A 216 H1* A 216 13.269 -17.243 -14.992 597 H8 A 216 H8 A 216 9.743 -17.901 -13.793 598 1H6 A 216 1H6 A 216 11.565 -15.448 -8.350 599 2H6 A 216 2H6 A 216 10.184 -16.039 -9.248 600 H2 A 216 H2 A 216 15.140 -15.854 -10.958 601 1H5* G 217 1H5* G 217 14.682 -21.555 -16.096 602 2H5* G 217 2H5* G 217 15.089 -23.271 -16.055 603 H4* G 217 H4* G 217 16.093 -22.436 -14.143 604 H3* G 217 H3* G 217 13.390 -23.537 -13.333 605 1H2* G 217 1H2* G 217 14.019 -23.215 -11.098 606 2HO* G 217 2HO* G 217 16.657 -22.484 -11.676 607 H1* G 217 H1* G 217 15.467 -20.792 -11.732 608 H8 G 217 H8 G 217 11.831 -21.302 -12.716 609 H1 G 217 H1 G 217 12.722 -18.130 -7.146 610 1H2 G 217 1H2 G 217 14.726 -18.142 -6.659 611 2H2 G 217 2H2 G 217 15.979 -18.900 -7.617 612 1H5* U 218 1H5* U 218 16.336 -25.424 -11.683 613 2H5* U 218 2H5* U 218 16.429 -27.116 -11.192 614 H4* U 218 H4* U 218 16.565 -25.742 -9.240 615 H3* U 218 H3* U 218 13.945 -27.216 -9.516 616 1H2* U 218 1H2* U 218 13.179 -26.195 -7.623 617 2HO* U 218 2HO* U 218 15.227 -25.718 -6.096 618 H1* U 218 H1* U 218 15.230 -24.102 -7.536 619 H3 U 218 H3 U 218 11.679 -21.475 -6.692 620 H5 U 218 H5 U 218 10.770 -23.115 -10.436 621 H6 U 218 H6 U 218 12.785 -24.495 -10.211 622 1H5* C 219 1H5* C 219 15.387 -28.583 -6.223 623 2H5* C 219 2H5* C 219 15.099 -30.239 -5.690 624 H4* C 219 H4* C 219 13.685 -29.135 -4.293 625 H3* C 219 H3* C 219 11.939 -29.477 -6.758 626 1H2* C 219 1H2* C 219 10.154 -28.905 -5.343 627 2HO* C 219 2HO* C 219 10.763 -30.353 -3.700 628 H1* C 219 H1* C 219 11.640 -26.995 -3.866 629 1H4 C 219 1H4 C 219 8.677 -23.088 -7.902 630 2H4 C 219 2H4 C 219 9.025 -24.146 -9.250 631 H5 C 219 H5 C 219 10.212 -26.179 -9.055 632 H6 C 219 H6 C 219 11.368 -27.711 -7.503 633 1H5* C 220 1H5* C 220 9.388 -32.707 -6.457 634 2H5* C 220 2H5* C 220 9.680 -33.075 -8.157 635 H4* C 220 H4* C 220 7.801 -31.919 -8.513 636 H3* C 220 H3* C 220 9.735 -29.642 -8.033 637 1H2* C 220 1H2* C 220 7.961 -28.209 -8.036 638 2HO* C 220 2HO* C 220 6.571 -29.921 -9.847 639 H1* C 220 H1* C 220 5.752 -29.912 -7.704 640 1H4 C 220 1H4 C 220 6.373 -27.519 -1.846 641 2H4 C 220 2H4 C 220 7.958 -28.242 -1.685 642 H5 C 220 H5 C 220 9.029 -29.461 -3.401 643 H6 C 220 H6 C 220 8.840 -30.295 -5.718 No H/Q in entry = 643 Start of MODEL 10 1 H MET 1 HN MET 1 0.654 -8.113 5.670 2 HA MET 1 HA MET 1 0.390 -10.237 4.947 3 1HB MET 1 2HB MET 1 -1.417 -10.169 3.234 4 2HB MET 1 3HB MET 1 -1.613 -8.838 4.358 5 1HG MET 1 2HG MET 1 -1.585 -7.411 2.592 6 2HG MET 1 3HG MET 1 0.098 -7.824 2.333 7 1HE MET 1 1HE MET 1 -3.001 -7.365 1.085 8 2HE MET 1 2HE MET 1 -2.078 -7.218 -0.431 9 3HE MET 1 3HE MET 1 -3.336 -8.468 -0.273 10 H GLN 2 HN GLN 2 0.195 -11.707 2.791 11 HA GLN 2 HA GLN 2 2.625 -12.242 1.915 12 1HB GLN 2 2HB GLN 2 0.052 -13.079 1.267 13 2HB GLN 2 3HB GLN 2 0.651 -12.497 -0.274 14 1HG GLN 2 2HG GLN 2 1.677 -14.519 -0.476 15 2HG GLN 2 3HG GLN 2 2.840 -13.921 0.690 16 1HE2 GLN 2 2HE2 GLN 2 1.292 -17.230 1.708 17 2HE2 GLN 2 1HE2 GLN 2 1.975 -16.625 0.235 18 H LYS 3 HN LYS 3 4.163 -11.448 0.496 19 HA LYS 3 HA LYS 3 3.601 -9.906 -1.738 20 1HB LYS 3 2HB LYS 3 4.329 -7.670 -0.995 21 2HB LYS 3 3HB LYS 3 2.821 -8.169 -0.254 22 1HG LYS 3 2HG LYS 3 4.348 -9.065 1.702 23 2HG LYS 3 3HG LYS 3 5.581 -8.032 1.004 24 1HD LYS 3 2HD LYS 3 3.748 -6.152 1.077 25 2HD LYS 3 3HD LYS 3 2.895 -7.220 2.173 26 1HE LYS 3 2HE LYS 3 5.816 -6.669 2.714 27 2HE LYS 3 3HE LYS 3 4.658 -5.405 3.077 28 1HZ LYS 3 1HZ LYS 3 4.118 -6.526 4.928 29 2HZ LYS 3 2HZ LYS 3 3.634 -7.823 4.070 30 H GLY 4 HN GLY 4 5.090 -11.879 -2.003 31 1HA GLY 4 1HA GLY 4 7.688 -11.928 -0.998 32 2HA GLY 4 2HA GLY 4 7.133 -12.679 -2.481 33 H ASN 5 HN ASN 5 6.193 -9.976 -3.570 34 HA ASN 5 HA ASN 5 8.446 -9.411 -5.029 35 1HB ASN 5 2HB ASN 5 5.816 -8.704 -5.195 36 2HB ASN 5 3HB ASN 5 6.450 -7.202 -4.552 37 1HD2 ASN 5 2HD2 ASN 5 7.778 -6.061 -7.528 38 2HD2 ASN 5 1HD2 ASN 5 7.297 -5.786 -5.887 39 H PHE 6 HN PHE 6 7.584 -8.600 -1.774 40 HA PHE 6 HA PHE 6 8.658 -6.059 -1.487 41 1HB PHE 6 2HB PHE 6 7.325 -7.101 0.268 42 2HB PHE 6 3HB PHE 6 8.316 -8.547 0.263 43 HD1 PHE 6 HD2 PHE 6 10.770 -8.273 1.054 44 HD2 PHE 6 HD1 PHE 6 7.718 -5.434 1.844 45 HE1 PHE 6 HE2 PHE 6 12.116 -7.358 2.964 46 HE2 PHE 6 HE1 PHE 6 9.064 -4.518 3.755 47 HZ PHE 6 HZ PHE 6 11.247 -5.490 4.292 48 H ARG 7 HN ARG 7 10.219 -9.079 -2.187 49 HA ARG 7 HA ARG 7 12.586 -8.730 -0.828 50 1HB ARG 7 2HB ARG 7 11.505 -10.546 -2.728 51 2HB ARG 7 3HB ARG 7 12.977 -9.950 -3.471 52 1HG ARG 7 2HG ARG 7 14.320 -10.626 -1.557 53 2HG ARG 7 3HG ARG 7 12.894 -10.965 -0.595 54 1HD ARG 7 2HD ARG 7 14.159 -12.968 -1.751 55 2HD ARG 7 3HD ARG 7 12.406 -12.956 -1.757 56 HE ARG 7 HE ARG 7 14.177 -12.417 -4.073 57 1HH1 ARG 7 1HH2 ARG 7 10.135 -12.519 -4.364 58 2HH1 ARG 7 2HH2 ARG 7 10.872 -12.494 -2.797 59 HH2 ARG 7 HH1 ARG 7 11.525 -12.491 -6.315 60 H ASN 8 HN ASN 8 11.201 -6.848 -3.328 61 HA ASN 8 HA ASN 8 13.317 -6.242 -4.937 62 1HB ASN 8 2HB ASN 8 12.112 -4.064 -5.336 63 2HB ASN 8 3HB ASN 8 11.029 -5.441 -5.390 64 1HD2 ASN 8 2HD2 ASN 8 9.970 -2.447 -3.150 65 2HD2 ASN 8 1HD2 ASN 8 10.853 -2.479 -4.640 66 H GLN 9 HN GLN 9 12.681 -5.474 -1.567 67 HA GLN 9 HA GLN 9 14.072 -3.097 -1.344 68 1HB GLN 9 2HB GLN 9 13.115 -5.241 0.495 69 2HB GLN 9 3HB GLN 9 14.431 -4.264 1.117 70 1HG GLN 9 2HG GLN 9 13.076 -2.462 1.428 71 2HG GLN 9 3HG GLN 9 12.423 -2.578 -0.195 72 1HE2 GLN 9 1HE2 GLN 9 10.983 -1.910 2.141 73 2HE2 GLN 9 2HE2 GLN 9 9.763 -3.106 2.419 74 H ARG 10 HN ARG 10 15.196 -6.193 -2.218 75 HA ARG 10 HA ARG 10 17.652 -6.158 -0.874 76 1HB ARG 10 2HB ARG 10 18.247 -8.020 -2.348 77 2HB ARG 10 3HB ARG 10 16.569 -8.207 -1.879 78 1HG ARG 10 2HG ARG 10 15.859 -8.045 -4.033 79 2HG ARG 10 3HG ARG 10 16.758 -6.562 -4.288 80 1HD ARG 10 2HD ARG 10 18.437 -9.029 -4.149 81 2HD ARG 10 3HD ARG 10 17.341 -8.963 -5.516 82 HE ARG 10 HE ARG 10 18.455 -6.986 -6.315 83 1HH1 ARG 10 2HH2 ARG 10 19.902 -8.230 -3.330 84 2HH1 ARG 10 1HH2 ARG 10 21.362 -7.316 -3.511 85 HH2 ARG 10 HH1 ARG 10 21.623 -5.884 -5.414 86 H LYS 11 HN LYS 11 16.419 -4.111 -3.237 87 HA LYS 11 HA LYS 11 19.121 -3.519 -4.219 88 1HB LYS 11 2HB LYS 11 17.849 -4.616 -5.996 89 2HB LYS 11 3HB LYS 11 16.540 -3.466 -5.810 90 1HG LYS 11 2HG LYS 11 17.824 -1.660 -6.668 91 2HG LYS 11 3HG LYS 11 19.349 -2.457 -6.342 92 1HD LYS 11 2HD LYS 11 19.287 -3.689 -8.293 93 2HD LYS 11 3HD LYS 11 17.553 -3.932 -8.212 94 1HE LYS 11 2HE LYS 11 17.888 -2.500 -10.101 95 2HE LYS 11 3HE LYS 11 17.295 -1.443 -8.835 96 1HZ LYS 11 1HZ LYS 11 19.492 -0.645 -8.440 97 2HZ LYS 11 2HZ LYS 11 20.195 -1.811 -9.332 98 H THR 12 HN THR 12 18.013 -2.472 -1.830 99 HA THR 12 HA THR 12 17.195 -0.583 -0.877 100 HB THR 12 HB THR 12 19.733 -0.386 -1.568 101 HG1 THR 12 HG1 THR 12 17.954 1.905 -1.107 102 1HG2 THR 12 3HG2 THR 12 18.563 0.760 -3.884 103 2HG2 THR 12 1HG2 THR 12 19.095 2.149 -2.907 104 3HG2 THR 12 2HG2 THR 12 20.266 0.897 -3.387 105 H VAL 13 HN VAL 13 15.274 -1.314 -2.660 106 HA VAL 13 HA VAL 13 14.583 0.202 -4.738 107 HB VAL 13 HB VAL 13 12.213 -0.031 -3.898 108 1HG1 VAL 13 1HG1 VAL 13 14.178 -2.140 -4.479 109 2HG1 VAL 13 2HG1 VAL 13 12.729 -2.724 -3.627 110 3HG1 VAL 13 3HG1 VAL 13 12.563 -1.852 -5.169 111 1HG2 VAL 13 3HG2 VAL 13 13.677 -1.186 -1.511 112 2HG2 VAL 13 1HG2 VAL 13 12.446 0.100 -1.539 113 3HG2 VAL 13 2HG2 VAL 13 11.984 -1.583 -1.892 114 H LYS 14 HN LYS 14 13.265 2.162 -5.048 115 HA LYS 14 HA LYS 14 13.868 4.124 -2.949 116 1HB LYS 14 2HB LYS 14 14.093 5.772 -4.623 117 2HB LYS 14 3HB LYS 14 14.987 4.380 -5.201 118 1HG LYS 14 2HG LYS 14 12.390 3.932 -6.178 119 2HG LYS 14 3HG LYS 14 12.588 5.666 -6.339 120 1HD LYS 14 2HD LYS 14 15.017 4.253 -7.185 121 2HD LYS 14 3HD LYS 14 13.617 3.674 -8.067 122 1HE LYS 14 2HE LYS 14 13.073 6.284 -8.300 123 2HE LYS 14 3HE LYS 14 14.788 6.462 -7.985 124 1HZ LYS 14 1HZ LYS 14 14.673 4.469 -9.856 125 2HZ LYS 14 2HZ LYS 14 13.506 5.489 -10.356 126 H CYS 15 HN CYS 15 12.219 5.290 -2.024 127 HA CYS 15 HA CYS 15 9.612 4.274 -2.369 128 1HB CYS 15 2HB CYS 15 10.444 5.111 -0.205 129 2HB CYS 15 3HB CYS 15 10.563 6.732 -0.860 130 H PHE 16 HN PHE 16 8.391 4.728 -4.173 131 HA PHE 16 HA PHE 16 8.967 7.001 -5.781 132 1HB PHE 16 2HB PHE 16 6.877 4.771 -5.637 133 2HB PHE 16 3HB PHE 16 6.687 6.056 -6.813 134 HD1 PHE 16 HD1 PHE 16 9.407 6.512 -7.758 135 HD2 PHE 16 HD2 PHE 16 7.456 2.864 -6.810 136 HE1 PHE 16 HE1 PHE 16 10.924 5.290 -9.340 137 HE2 PHE 16 HE2 PHE 16 8.975 1.641 -8.391 138 HZ PHE 16 HZ PHE 16 10.691 2.869 -9.637 139 H ASN 17 HN ASN 17 7.619 6.949 -2.807 140 HA ASN 17 HA ASN 17 5.375 8.639 -3.484 141 1HB ASN 17 2HB ASN 17 5.437 6.714 -1.653 142 2HB ASN 17 3HB ASN 17 6.240 7.911 -0.658 143 1HD2 ASN 17 2HD2 ASN 17 3.042 8.770 0.467 144 2HD2 ASN 17 1HD2 ASN 17 4.550 7.983 0.794 145 H CYS 18 HN CYS 18 8.129 8.583 -1.080 146 HA CYS 18 HA CYS 18 8.066 11.474 -1.000 147 1HB CYS 18 2HB CYS 18 9.679 11.230 0.857 148 2HB CYS 18 3HB CYS 18 8.196 10.340 1.135 149 H GLY 19 HN GLY 19 10.174 8.688 -1.918 150 1HA GLY 19 1HA GLY 19 11.528 8.848 -3.868 151 2HA GLY 19 2HA GLY 19 11.782 10.552 -3.544 152 H LYS 20 HN LYS 20 11.830 8.139 -0.921 153 HA LYS 20 HA LYS 20 14.717 8.621 -0.689 154 1HB LYS 20 2HB LYS 20 12.543 8.252 1.367 155 2HB LYS 20 3HB LYS 20 14.217 7.919 1.763 156 1HG LYS 20 2HG LYS 20 14.846 10.229 1.009 157 2HG LYS 20 3HG LYS 20 13.165 10.559 0.637 158 1HD LYS 20 2HD LYS 20 13.552 9.509 3.379 159 2HD LYS 20 3HD LYS 20 14.407 11.012 3.098 160 1HE LYS 20 2HE LYS 20 12.328 12.106 2.335 161 2HE LYS 20 3HE LYS 20 11.450 10.594 2.450 162 1HZ LYS 20 1HZ LYS 20 10.990 11.352 4.526 163 2HZ LYS 20 2HZ LYS 20 12.472 10.811 4.930 164 H GLU 21 HN GLU 21 16.123 6.888 -0.595 165 HA GLU 21 HA GLU 21 14.979 4.402 -1.420 166 1HB GLU 21 2HB GLU 21 17.710 5.615 -1.295 167 2HB GLU 21 3HB GLU 21 17.645 3.870 -1.161 168 1HG GLU 21 2HG GLU 21 17.112 3.614 -3.362 169 2HG GLU 21 3HG GLU 21 15.859 4.837 -3.285 170 HE2 GLU 21 HE2 GLU 21 17.346 7.413 -3.488 171 H GLY 22 HN GLY 22 14.940 2.452 -0.241 172 1HA GLY 22 1HA GLY 22 15.901 1.218 1.645 173 2HA GLY 22 2HA GLY 22 15.760 2.684 2.594 174 H HIS 23 HN HIS 23 13.154 2.427 0.367 175 HA HIS 23 HA HIS 23 11.499 0.616 1.659 176 1HB HIS 23 2HB HIS 23 10.182 1.848 3.122 177 2HB HIS 23 3HB HIS 23 11.811 2.374 3.497 178 HD1 HIS 23 HD1 HIS 23 12.493 4.819 2.779 179 HD2 HIS 23 HD2 HIS 23 8.483 3.821 2.056 180 HE1 HIS 23 HE1 HIS 23 11.284 7.015 2.303 181 H ILE 24 HN ILE 24 9.219 0.777 0.824 182 HA ILE 24 HA ILE 24 9.222 2.289 -1.696 183 HB ILE 24 HB ILE 24 8.030 0.561 -2.720 184 1HG1 ILE 24 2HG1 ILE 24 7.708 -0.843 -0.055 185 2HG1 ILE 24 3HG1 ILE 24 6.476 0.171 -0.781 186 1HG2 ILE 24 2HG2 ILE 24 10.504 -0.015 -1.353 187 2HG2 ILE 24 3HG2 ILE 24 9.540 -1.499 -1.544 188 3HG2 ILE 24 1HG2 ILE 24 9.953 -0.518 -2.970 189 1HD1 ILE 24 2HD1 ILE 24 7.718 -2.116 -2.349 190 2HD1 ILE 24 3HD1 ILE 24 6.365 -2.394 -1.226 191 3HD1 ILE 24 1HD1 ILE 24 6.157 -1.304 -2.618 192 H ALA 25 HN ALA 25 7.058 3.054 -2.429 193 HA ALA 25 HA ALA 25 5.831 4.614 -0.556 194 1HB ALA 25 3HB ALA 25 4.952 3.461 -3.213 195 2HB ALA 25 1HB ALA 25 3.887 4.539 -2.279 196 3HB ALA 25 2HB ALA 25 5.477 5.118 -2.832 197 H LYS 26 HN LYS 26 5.152 1.214 -1.482 198 HA LYS 26 HA LYS 26 2.719 0.967 -0.156 199 1HB LYS 26 2HB LYS 26 4.820 -1.171 -0.619 200 2HB LYS 26 3HB LYS 26 3.116 -1.431 -0.305 201 1HG LYS 26 2HG LYS 26 3.781 0.396 -2.593 202 2HG LYS 26 3HG LYS 26 4.161 -1.301 -2.818 203 1HD LYS 26 2HD LYS 26 1.472 -0.792 -1.638 204 2HD LYS 26 3HD LYS 26 1.675 -0.170 -3.265 205 1HE LYS 26 2HE LYS 26 2.395 -2.397 -4.070 206 2HE LYS 26 3HE LYS 26 2.335 -3.039 -2.441 207 1HZ LYS 26 1HZ LYS 26 0.122 -2.422 -4.230 208 2HZ LYS 26 2HZ LYS 26 0.242 -3.601 -3.112 209 H ASN 27 HN ASN 27 6.122 0.554 0.973 210 HA ASN 27 HA ASN 27 5.124 -0.007 3.613 211 1HB ASN 27 2HB ASN 27 7.905 0.076 2.356 212 2HB ASN 27 3HB ASN 27 7.700 -0.082 4.089 213 1HD2 ASN 27 2HD2 ASN 27 6.264 -3.078 1.589 214 2HD2 ASN 27 1HD2 ASN 27 6.247 -1.412 1.115 215 H CYS 28 HN CYS 28 5.352 2.712 1.817 216 HA CYS 28 HA CYS 28 6.931 4.363 3.532 217 1HB CYS 28 2HB CYS 28 6.776 4.808 1.113 218 2HB CYS 28 3HB CYS 28 5.054 5.100 1.261 219 H ARG 29 HN ARG 29 6.164 5.721 5.189 220 HA ARG 29 HA ARG 29 3.614 5.046 6.198 221 1HB ARG 29 2HB ARG 29 5.981 6.641 7.080 222 2HB ARG 29 3HB ARG 29 4.450 7.202 7.722 223 1HG ARG 29 2HG ARG 29 4.791 4.248 7.819 224 2HG ARG 29 3HG ARG 29 5.955 5.130 8.786 225 1HD ARG 29 2HD ARG 29 3.069 5.977 8.988 226 2HD ARG 29 3HD ARG 29 3.514 4.458 9.737 227 HE ARG 29 HE ARG 29 5.486 6.230 10.593 228 1HH1 ARG 29 2HH2 ARG 29 1.948 6.172 10.770 229 2HH1 ARG 29 1HH2 ARG 29 1.883 7.080 12.242 230 HH2 ARG 29 HH1 ARG 29 3.924 7.809 13.264 231 H ALA 30 HN ALA 30 5.066 7.704 4.330 232 HA ALA 30 HA ALA 30 3.160 9.676 4.802 233 1HB ALA 30 1HB ALA 30 4.896 9.075 2.375 234 2HB ALA 30 2HB ALA 30 4.005 10.595 2.630 235 3HB ALA 30 3HB ALA 30 5.308 10.128 3.749 236 HA PRO 31 HA PRO 31 -0.273 8.311 2.554 237 1HB PRO 31 2HB PRO 31 -1.472 10.663 1.849 238 2HB PRO 31 3HB PRO 31 -1.616 9.956 3.445 239 1HG PRO 31 2HG PRO 31 0.005 12.274 2.583 240 2HG PRO 31 3HG PRO 31 -0.484 11.818 4.203 241 1HD PRO 31 2HD PRO 31 2.108 11.460 3.029 242 2HD PRO 31 3HD PRO 31 1.586 10.902 4.605 243 H ARG 32 HN ARG 32 -1.295 7.944 0.512 244 HA ARG 32 HA ARG 32 0.556 7.799 -1.484 245 1HB ARG 32 2HB ARG 32 -2.066 6.953 -1.102 246 2HB ARG 32 3HB ARG 32 -2.262 8.108 -2.405 247 1HG ARG 32 2HG ARG 32 -1.740 6.267 -3.697 248 2HG ARG 32 3HG ARG 32 -0.102 6.803 -3.379 249 1HD ARG 32 2HD ARG 32 -1.380 4.962 -1.361 250 2HD ARG 32 3HD ARG 32 -0.887 4.268 -2.892 251 HE ARG 32 HE ARG 32 1.405 4.812 -2.403 252 1HH1 ARG 32 2HH2 ARG 32 -0.794 5.784 0.201 253 2HH1 ARG 32 1HH2 ARG 32 0.474 5.975 1.367 254 HH2 ARG 32 HH1 ARG 32 2.740 5.546 0.718 255 H LYS 33 HN LYS 33 1.609 9.549 -2.396 256 HA LYS 33 HA LYS 33 -0.095 11.744 -3.328 257 1HB LYS 33 2HB LYS 33 1.662 11.953 -1.183 258 2HB LYS 33 3HB LYS 33 2.593 12.584 -2.527 259 1HG LYS 33 2HG LYS 33 0.028 13.692 -2.908 260 2HG LYS 33 3HG LYS 33 0.253 13.749 -1.172 261 1HD LYS 33 2HD LYS 33 2.733 14.606 -2.068 262 2HD LYS 33 3HD LYS 33 1.678 15.244 -3.314 263 1HE LYS 33 2HE LYS 33 0.419 16.550 -1.755 264 2HE LYS 33 3HE LYS 33 0.982 15.622 -0.381 265 1HZ LYS 33 1HZ LYS 33 2.271 17.561 -0.330 266 2HZ LYS 33 2HZ LYS 33 3.291 16.515 -1.050 267 H LYS 34 HN LYS 34 1.652 13.216 -4.781 268 HA LYS 34 HA LYS 34 3.287 11.433 -6.363 269 1HB LYS 34 2HB LYS 34 2.155 11.858 -8.452 270 2HB LYS 34 3HB LYS 34 1.034 11.125 -7.322 271 1HG LYS 34 2HG LYS 34 0.621 13.792 -6.771 272 2HG LYS 34 3HG LYS 34 1.041 13.883 -8.470 273 1HD LYS 34 2HD LYS 34 -0.802 11.658 -7.990 274 2HD LYS 34 3HD LYS 34 -1.471 13.152 -7.364 275 1HE LYS 34 2HE LYS 34 -0.449 13.981 -9.812 276 2HE LYS 34 3HE LYS 34 -0.964 12.346 -10.179 277 1HZ LYS 34 1HZ LYS 34 -2.749 14.253 -8.778 278 2HZ LYS 34 2HZ LYS 34 -2.718 14.142 -10.402 279 H GLY 35 HN GLY 35 4.367 13.236 -4.750 280 1HA GLY 35 1HA GLY 35 4.639 15.766 -6.212 281 2HA GLY 35 2HA GLY 35 5.151 15.432 -4.570 282 H CYS 36 HN CYS 36 6.378 16.158 -7.505 283 HA CYS 36 HA CYS 36 8.273 14.191 -8.006 284 1HB CYS 36 2HB CYS 36 7.827 15.773 -9.718 285 2HB CYS 36 3HB CYS 36 8.152 17.139 -8.670 286 H TRP 37 HN TRP 37 9.953 13.540 -6.710 287 HA TRP 37 HA TRP 37 10.716 15.200 -4.482 288 1HB TRP 37 2HB TRP 37 12.357 12.866 -4.836 289 2HB TRP 37 3HB TRP 37 11.265 13.285 -3.531 290 HD1 TRP 37 HD1 TRP 37 8.573 12.517 -3.976 291 HE1 TRP 37 HE1 TRP 37 7.535 10.409 -5.177 292 HE3 TRP 37 HE3 TRP 37 12.742 11.324 -6.631 293 HZ2 TRP 37 HZ2 TRP 37 8.552 8.521 -7.060 294 HZ3 TRP 37 HZ3 TRP 37 12.635 9.333 -8.127 295 HH2 TRP 37 HH2 TRP 37 10.634 7.951 -8.365 296 H LYS 38 HN LYS 38 11.176 16.431 -7.031 297 HA LYS 38 HA LYS 38 14.103 16.498 -6.980 298 1HB LYS 38 2HB LYS 38 12.675 15.331 -9.040 299 2HB LYS 38 3HB LYS 38 12.930 16.960 -9.632 300 1HG LYS 38 2HG LYS 38 15.142 15.170 -8.519 301 2HG LYS 38 3HG LYS 38 14.797 15.365 -10.225 302 1HD LYS 38 2HD LYS 38 16.018 17.273 -10.298 303 2HD LYS 38 3HD LYS 38 15.018 17.998 -9.056 304 1HE LYS 38 2HE LYS 38 16.631 17.718 -7.478 305 2HE LYS 38 3HE LYS 38 16.800 16.017 -7.860 306 1HZ LYS 38 1HZ LYS 38 17.954 17.882 -9.786 307 2HZ LYS 38 2HZ LYS 38 18.724 17.769 -8.355 308 H CYS 39 HN CYS 39 11.029 18.094 -8.038 309 HA CYS 39 HA CYS 39 12.387 20.647 -7.580 310 1HB CYS 39 2HB CYS 39 10.548 21.618 -8.995 311 2HB CYS 39 3HB CYS 39 11.645 20.547 -9.843 312 H GLY 40 HN GLY 40 9.649 18.496 -6.810 313 1HA GLY 40 1HA GLY 40 8.606 18.502 -4.722 314 2HA GLY 40 2HA GLY 40 9.024 20.189 -4.499 315 H LYS 41 HN LYS 41 7.788 19.164 -7.648 316 HA LYS 41 HA LYS 41 5.380 20.718 -7.109 317 1HB LYS 41 2HB LYS 41 7.174 20.689 -9.235 318 2HB LYS 41 3HB LYS 41 5.798 19.798 -9.854 319 1HG LYS 41 2HG LYS 41 5.054 22.231 -8.317 320 2HG LYS 41 3HG LYS 41 5.996 22.568 -9.755 321 1HD LYS 41 2HD LYS 41 4.249 20.762 -10.809 322 2HD LYS 41 3HD LYS 41 3.244 21.390 -9.518 323 1HE LYS 41 2HE LYS 41 2.890 23.342 -10.631 324 2HE LYS 41 3HE LYS 41 4.607 23.588 -10.882 325 1HZ LYS 41 1HZ LYS 41 2.828 21.918 -12.576 326 2HZ LYS 41 2HZ LYS 41 3.538 23.318 -13.010 327 H GLU 42 HN GLU 42 3.428 19.773 -6.810 328 HA GLU 42 HA GLU 42 3.358 16.912 -6.978 329 1HB GLU 42 2HB GLU 42 1.161 17.142 -5.855 330 2HB GLU 42 3HB GLU 42 2.408 18.029 -5.003 331 1HG GLU 42 2HG GLU 42 1.191 19.928 -5.203 332 2HG GLU 42 3HG GLU 42 1.332 19.833 -6.948 333 HE2 GLU 42 HE2 GLU 42 -1.018 20.762 -6.397 334 H GLY 43 HN GLY 43 2.651 15.813 -8.754 335 1HA GLY 43 1HA GLY 43 0.480 15.819 -10.152 336 2HA GLY 43 2HA GLY 43 1.139 17.317 -10.780 337 H HIS 44 HN HIS 44 3.880 16.820 -10.963 338 HA HIS 44 HA HIS 44 3.879 14.711 -12.983 339 1HB HIS 44 2HB HIS 44 5.590 15.875 -14.092 340 2HB HIS 44 3HB HIS 44 4.432 17.097 -13.605 341 HD1 HIS 44 HD1 HIS 44 5.236 18.946 -12.030 342 HD2 HIS 44 HD2 HIS 44 8.049 15.880 -12.559 343 HE1 HIS 44 HE1 HIS 44 7.404 19.774 -10.970 344 H GLN 45 HN GLN 45 6.315 13.790 -13.233 345 HA GLN 45 HA GLN 45 7.207 13.176 -10.526 346 1HB GLN 45 2HB GLN 45 7.552 10.854 -11.138 347 2HB GLN 45 3HB GLN 45 5.902 11.282 -11.543 348 1HG GLN 45 2HG GLN 45 7.241 11.942 -13.887 349 2HG GLN 45 3HG GLN 45 8.156 10.552 -13.335 350 1HE2 GLN 45 2HE2 GLN 45 5.883 8.384 -14.772 351 2HE2 GLN 45 1HE2 GLN 45 7.514 8.912 -14.524 352 H MET 46 HN MET 46 9.539 12.295 -10.509 353 HA MET 46 HA MET 46 11.209 14.127 -11.609 354 1HB MET 46 2HB MET 46 11.633 12.371 -9.755 355 2HB MET 46 3HB MET 46 11.917 11.200 -11.027 356 1HG MET 46 2HG MET 46 13.729 12.745 -11.948 357 2HG MET 46 3HG MET 46 13.504 13.767 -10.543 358 1HE MET 46 3HE MET 46 15.533 11.615 -12.100 359 2HE MET 46 1HE MET 46 16.566 12.404 -10.883 360 3HE MET 46 2HE MET 46 16.414 10.630 -10.906 361 H LYS 47 HN LYS 47 10.328 10.854 -12.882 362 HA LYS 47 HA LYS 47 12.077 10.797 -15.013 363 1HB LYS 47 2HB LYS 47 10.897 8.831 -14.350 364 2HB LYS 47 3HB LYS 47 9.337 9.584 -14.603 365 1HG LYS 47 2HG LYS 47 11.268 9.416 -16.926 366 2HG LYS 47 3HG LYS 47 10.385 7.977 -16.455 367 1HD LYS 47 2HD LYS 47 8.733 10.458 -16.669 368 2HD LYS 47 3HD LYS 47 9.416 9.892 -18.180 369 1HE LYS 47 2HE LYS 47 8.463 7.540 -16.937 370 2HE LYS 47 3HE LYS 47 7.235 8.738 -16.580 371 1HZ LYS 47 1HZ LYS 47 6.879 9.120 -18.865 372 2HZ LYS 47 2HZ LYS 47 8.283 8.439 -19.330 373 H ASP 48 HN ASP 48 9.038 12.583 -14.539 374 HA ASP 48 HA ASP 48 9.391 13.610 -17.246 375 1HB ASP 48 2HB ASP 48 6.983 12.870 -15.636 376 2HB ASP 48 3HB ASP 48 6.835 14.363 -16.543 377 HD2 ASP 48 HD2 ASP 48 5.995 13.812 -18.793 378 H CYS 49 HN CYS 49 10.834 14.540 -14.869 379 HA CYS 49 HA CYS 49 9.596 16.632 -13.557 380 1HB CYS 49 2HB CYS 49 11.751 15.551 -12.896 381 2HB CYS 49 3HB CYS 49 12.548 16.383 -14.217 382 H THR 50 HN THR 50 8.657 18.400 -14.525 383 HA THR 50 HA THR 50 9.430 19.212 -17.156 384 HB THR 50 HB THR 50 7.079 19.267 -16.256 385 HG1 THR 50 HG1 THR 50 8.189 20.852 -17.867 386 1HG2 THR 50 1HG2 THR 50 8.165 20.401 -13.971 387 2HG2 THR 50 2HG2 THR 50 7.604 21.845 -14.848 388 3HG2 THR 50 3HG2 THR 50 6.454 20.549 -14.439 389 H GLU 51 HN GLU 51 10.968 19.589 -14.229 390 HA GLU 51 HA GLU 51 12.375 21.858 -15.302 391 1HB GLU 51 2HB GLU 51 10.507 22.675 -13.709 392 2HB GLU 51 3HB GLU 51 11.427 21.935 -12.414 393 1HG GLU 51 2HG GLU 51 13.276 23.478 -13.988 394 2HG GLU 51 3HG GLU 51 11.870 24.486 -13.709 395 HE2 GLU 51 HE2 GLU 51 11.354 24.933 -11.606 396 H ARG 52 HN ARG 52 13.422 19.417 -15.459 397 HA ARG 52 HA ARG 52 14.477 18.107 -13.445 398 1HB ARG 52 2HB ARG 52 14.867 17.866 -16.020 399 2HB ARG 52 3HB ARG 52 16.253 18.912 -15.788 400 1HG ARG 52 2HG ARG 52 17.077 17.284 -13.998 401 2HG ARG 52 3HG ARG 52 15.772 16.207 -14.456 402 1HD ARG 52 2HD ARG 52 16.740 15.668 -16.509 403 2HD ARG 52 3HD ARG 52 17.508 17.234 -16.685 404 HE ARG 52 HE ARG 52 18.756 16.026 -14.467 405 1HH1 ARG 52 2HH2 ARG 52 18.391 15.312 -17.919 406 2HH1 ARG 52 1HH2 ARG 52 19.890 14.451 -18.026 407 HH2 ARG 52 HH1 ARG 52 21.251 14.215 -16.067 408 H GLN 53 HN GLN 53 16.245 20.867 -15.051 409 HA GLN 53 HA GLN 53 17.950 22.059 -14.355 410 1HB GLN 53 2HB GLN 53 15.648 22.658 -12.856 411 2HB GLN 53 3HB GLN 53 16.924 22.609 -11.656 412 1HG GLN 53 2HG GLN 53 16.987 24.852 -12.408 413 2HG GLN 53 3HG GLN 53 18.290 24.099 -13.306 414 1HE2 GLN 53 2HE2 GLN 53 14.798 25.325 -15.143 415 2HE2 GLN 53 1HE2 GLN 53 14.922 25.114 -13.428 416 H ALA 54 HN ALA 54 19.085 19.769 -14.231 417 HA ALA 54 HA ALA 54 19.602 18.617 -11.746 418 1HB ALA 54 3HB ALA 54 20.289 18.229 -14.472 419 2HB ALA 54 1HB ALA 54 21.825 18.339 -13.579 420 3HB ALA 54 2HB ALA 54 20.602 17.135 -13.104 421 H ASN 55 HN ASN 55 21.789 20.730 -13.751 422 HA ASN 55 HA ASN 55 22.397 22.417 -11.659 423 1HB ASN 55 2HB ASN 55 23.544 20.378 -10.711 424 2HB ASN 55 3HB ASN 55 24.521 20.264 -12.161 425 1HD2 ASN 55 2HD2 ASN 55 26.517 21.972 -9.556 426 2HD2 ASN 55 1HD2 ASN 55 25.743 20.438 -9.777 427 1H5* G 201 1H5* G 201 -1.071 -18.759 -4.615 428 2H5* G 201 2H5* G 201 0.052 -17.803 -3.649 429 H4* G 201 H4* G 201 -0.098 -20.240 -3.059 430 H3* G 201 H3* G 201 2.693 -19.404 -3.934 431 1H2* G 201 1H2* G 201 3.324 -21.091 -2.406 432 2HO* G 201 2HO* G 201 2.133 -20.774 -0.610 433 H1* G 201 H1* G 201 1.239 -22.822 -3.073 434 H8 G 201 H8 G 201 3.107 -20.690 -5.655 435 H1 G 201 H1 G 201 4.931 -26.890 -5.318 436 1H2 G 201 1H2 G 201 3.901 -27.829 -3.799 437 2H2 G 201 2H2 G 201 2.718 -27.054 -2.770 438 1H5* G 202 1H5* G 202 2.996 -19.089 0.036 439 2H5* G 202 2H5* G 202 3.715 -17.594 0.634 440 H4* G 202 H4* G 202 4.967 -19.280 1.641 441 H3* G 202 H3* G 202 6.368 -18.003 -0.643 442 1H2* G 202 1H2* G 202 8.137 -19.551 -0.653 443 2HO* G 202 2HO* G 202 8.630 -20.031 1.407 444 H1* G 202 H1* G 202 6.410 -21.789 -0.232 445 H8 G 202 H8 G 202 5.795 -19.087 -2.865 446 H1 G 202 H1 G 202 8.571 -24.504 -5.064 447 1H2 G 202 1H2 G 202 8.972 -25.764 -3.481 448 2H2 G 202 2H2 G 202 8.611 -25.405 -1.806 449 1H5* A 203 1H5* A 203 8.971 -17.871 2.528 450 2H5* A 203 2H5* A 203 9.999 -16.465 2.800 451 H4* A 203 H4* A 203 11.379 -18.328 2.212 452 H3* A 203 H3* A 203 11.156 -16.291 -0.019 453 1H2* A 203 1H2* A 203 12.807 -17.463 -1.162 454 2HO* A 203 2HO* A 203 14.427 -18.308 0.082 455 H1* A 203 H1* A 203 12.069 -20.044 -0.250 456 H8 A 203 H8 A 203 9.508 -17.511 -1.523 457 1H6 A 203 1H6 A 203 9.767 -20.667 -6.902 458 2H6 A 203 2H6 A 203 8.962 -19.360 -6.063 459 H2 A 203 H2 A 203 12.780 -22.394 -4.131 460 1H5* C 204 1H5* C 204 15.475 -16.362 1.045 461 2H5* C 204 2H5* C 204 16.123 -14.844 0.425 462 H4* C 204 H4* C 204 17.090 -16.830 -0.666 463 H3* C 204 H3* C 204 15.546 -14.867 -2.358 464 1H2* C 204 1H2* C 204 16.162 -16.062 -4.280 465 2HO* C 204 2HO* C 204 17.851 -17.914 -3.350 466 H1* C 204 H1* C 204 15.879 -18.614 -3.070 467 1H4 C 204 1H4 C 204 10.491 -18.070 -6.415 468 2H4 C 204 2H4 C 204 9.955 -16.765 -5.382 469 H5 C 204 H5 C 204 11.255 -15.851 -3.635 470 H6 C 204 H6 C 204 13.413 -15.967 -2.438 471 1H5* U 205 1H5* U 205 19.445 -14.962 -3.183 472 2H5* U 205 2H5* U 205 20.561 -13.635 -3.509 473 H4* U 205 H4* U 205 20.664 -14.916 -5.438 474 H3* U 205 H3* U 205 18.681 -12.682 -5.909 475 1H2* U 205 1H2* U 205 18.447 -13.404 -8.097 476 2HO* U 205 2HO* U 205 20.488 -15.045 -8.513 477 H1* U 205 H1* U 205 18.923 -16.165 -7.617 478 H3 U 205 H3 U 205 14.675 -16.458 -9.055 479 H5 U 205 H5 U 205 14.316 -14.262 -5.507 480 H6 U 205 H6 U 205 16.765 -14.252 -5.382 481 1H5* A 206 1H5* A 206 21.277 -12.161 -8.419 482 2H5* A 206 2H5* A 206 22.000 -10.657 -8.989 483 H4* A 206 H4* A 206 20.605 -11.634 -10.707 484 H3* A 206 H3* A 206 19.534 -9.064 -9.521 485 1H2* A 206 1H2* A 206 17.801 -9.148 -11.025 486 2HO* A 206 2HO* A 206 19.549 -9.123 -12.645 487 H1* A 206 H1* A 206 18.034 -12.015 -11.544 488 H8 A 206 H8 A 206 17.188 -10.692 -8.101 489 1H6 A 206 1H6 A 206 11.219 -11.677 -9.631 490 2H6 A 206 2H6 A 206 12.292 -11.226 -8.324 491 H2 A 206 H2 A 206 13.715 -12.394 -13.236 492 1H5* G 207 1H5* G 207 20.777 -7.692 -13.279 493 2H5* G 207 2H5* G 207 20.652 -5.935 -13.386 494 H4* G 207 H4* G 207 18.695 -7.131 -14.310 495 H3* G 207 H3* G 207 17.953 -5.502 -11.849 496 1H2* G 207 1H2* G 207 15.854 -5.401 -12.914 497 2HO* G 207 2HO* G 207 15.835 -5.777 -15.229 498 H1* G 207 H1* G 207 16.116 -8.036 -14.000 499 H8 G 207 H8 G 207 16.826 -7.319 -10.330 500 H1 G 207 H1 G 207 10.826 -9.389 -11.596 501 1H2 G 207 1H2 G 207 10.559 -9.519 -13.636 502 2H2 G 207 2H2 G 207 11.778 -9.126 -14.828 503 1H5* C 208 1H5* C 208 18.263 -1.644 -14.574 504 2H5* C 208 2H5* C 208 17.598 -0.437 -13.473 505 H4* C 208 H4* C 208 16.235 -1.921 -15.417 506 H3* C 208 H3* C 208 15.431 0.028 -13.288 507 1H2* C 208 1H2* C 208 13.378 -0.937 -13.131 508 2HO* C 208 2HO* C 208 13.155 0.344 -15.101 509 H1* C 208 H1* C 208 13.616 -3.087 -15.066 510 1H4 C 208 1H4 C 208 12.124 -6.111 -9.660 511 2H4 C 208 2H4 C 208 13.686 -5.699 -8.987 512 H5 C 208 H5 C 208 15.271 -4.332 -10.081 513 H6 C 208 H6 C 208 15.753 -3.011 -12.110 514 1H5* G 209 1H5* G 209 13.615 3.303 -12.999 515 2H5* G 209 2H5* G 209 14.000 1.582 -12.995 516 H4* G 209 H4* G 209 11.877 2.049 -14.864 517 H3* G 209 H3* G 209 11.639 3.693 -12.442 518 1H2* G 209 1H2* G 209 9.987 2.489 -11.443 519 2HO* G 209 2HO* G 209 8.841 3.412 -13.368 520 H1* G 209 H1* G 209 9.920 0.133 -13.078 521 H8 G 209 H8 G 209 13.078 1.234 -11.256 522 H1 G 209 H1 G 209 9.501 -3.153 -8.118 523 1H2 G 209 1H2 G 209 7.742 -3.470 -9.146 524 2H2 G 209 2H2 G 209 7.301 -2.666 -10.635 525 1H5* G 210 1H5* G 210 10.675 6.037 -11.182 526 2H5* G 210 2H5* G 210 9.995 4.479 -11.651 527 H4* G 210 H4* G 210 8.356 5.127 -10.242 528 H3* G 210 H3* G 210 7.630 6.048 -12.938 529 1H2* G 210 1H2* G 210 6.862 8.056 -12.099 530 2HO* G 210 2HO* G 210 4.857 7.211 -12.272 531 H1* G 210 H1* G 210 6.374 7.434 -9.306 532 H8 G 210 H8 G 210 9.529 8.273 -11.341 533 H1 G 210 H1 G 210 7.784 12.668 -6.922 534 1H2 G 210 1H2 G 210 6.070 12.038 -5.962 535 2H2 G 210 2H2 G 210 5.232 10.540 -6.304 536 1H5* A 211 1H5* A 211 7.789 2.954 -11.122 537 2H5* A 211 2H5* A 211 7.612 1.227 -11.425 538 H4* A 211 H4* A 211 6.756 1.497 -9.286 539 H3* A 211 H3* A 211 4.639 1.229 -11.338 540 1H2* A 211 1H2* A 211 3.535 2.884 -10.030 541 2HO* A 211 2HO* A 211 2.009 1.433 -9.442 542 H1* A 211 H1* A 211 4.634 1.559 -7.513 543 H8 A 211 H8 A 211 4.786 5.078 -9.034 544 1H6 A 211 1H6 A 211 2.056 6.939 -3.739 545 2H6 A 211 2H6 A 211 2.727 7.490 -5.258 546 H2 A 211 H2 A 211 2.455 2.515 -3.619 547 1H5* G 212 1H5* G 212 2.465 -1.813 -7.904 548 2H5* G 212 2H5* G 212 3.879 -0.780 -8.112 549 H4* G 212 H4* G 212 4.231 -3.745 -8.295 550 H3* G 212 H3* G 212 3.300 -2.398 -5.857 551 1H2* G 212 1H2* G 212 5.137 -2.879 -4.526 552 2HO* G 212 2HO* G 212 6.024 -4.869 -4.840 553 H1* G 212 H1* G 212 7.119 -2.667 -6.523 554 H8 G 212 H8 G 212 4.197 -0.472 -5.342 555 H1 G 212 H1 G 212 10.074 2.198 -4.869 556 1H2 G 212 1H2 G 212 11.484 0.898 -5.628 557 2H2 G 212 2H2 G 212 11.127 -0.679 -6.293 558 1H5* G 213 1H5* G 213 2.706 -6.745 -8.318 559 2H5* G 213 2H5* G 213 4.005 -5.586 -8.603 560 H4* G 213 H4* G 213 1.781 -5.944 -10.600 561 H3* G 213 H3* G 213 3.802 -7.948 -9.990 562 1H2* G 213 1H2* G 213 5.036 -7.856 -11.946 563 2HO* G 213 2HO* G 213 3.877 -6.935 -13.845 564 H1* G 213 H1* G 213 4.800 -5.108 -12.475 565 H8 G 213 H8 G 213 5.542 -6.707 -9.063 566 H1 G 213 H1 G 213 10.603 -3.985 -12.039 567 1H2 G 213 1H2 G 213 10.013 -3.261 -13.878 568 2H2 G 213 2H2 G 213 8.389 -3.373 -14.517 569 1H5* C 214 1H5* C 214 2.264 -8.999 -13.553 570 2H5* C 214 2H5* C 214 2.033 -10.704 -13.936 571 H4* C 214 H4* C 214 3.700 -9.824 -15.397 572 H3* C 214 H3* C 214 4.926 -11.572 -13.243 573 1H2* C 214 1H2* C 214 6.894 -11.570 -14.537 574 2HO* C 214 2HO* C 214 5.507 -10.184 -16.608 575 H1* C 214 H1* C 214 6.877 -8.887 -15.154 576 1H4 C 214 1H4 C 214 10.001 -8.747 -9.619 577 2H4 C 214 2H4 C 214 8.593 -9.344 -8.770 578 H5 C 214 H5 C 214 6.565 -9.927 -9.832 579 H6 C 214 H6 C 214 5.379 -10.082 -11.992 580 1H5* U 215 1H5* U 215 5.440 -13.163 -16.708 581 2H5* U 215 2H5* U 215 5.412 -14.891 -17.056 582 H4* U 215 H4* U 215 7.569 -14.003 -17.617 583 H3* U 215 H3* U 215 7.487 -15.844 -15.245 584 1H2* U 215 1H2* U 215 9.684 -15.433 -14.759 585 2HO* U 215 2HO* U 215 9.715 -15.169 -17.614 586 H1* U 215 H1* U 215 9.989 -12.952 -16.190 587 H3 U 215 H3 U 215 11.384 -11.548 -12.153 588 H5 U 215 H5 U 215 7.407 -12.653 -11.441 589 H6 U 215 H6 U 215 7.325 -13.473 -13.751 590 1H5* A 216 1H5* A 216 9.758 -17.258 -18.129 591 2H5* A 216 2H5* A 216 10.127 -18.918 -18.593 592 H4* A 216 H4* A 216 12.053 -18.028 -17.531 593 H3* A 216 H3* A 216 10.551 -19.965 -15.769 594 1H2* A 216 1H2* A 216 12.195 -19.749 -14.147 595 2HO* A 216 2HO* A 216 14.265 -18.628 -15.220 596 H1* A 216 H1* A 216 12.823 -17.009 -14.975 597 H8 A 216 H8 A 216 9.413 -18.006 -13.662 598 1H6 A 216 1H6 A 216 11.368 -15.854 -8.139 599 2H6 A 216 2H6 A 216 9.983 -16.476 -9.009 600 H2 A 216 H2 A 216 14.806 -15.785 -10.955 601 1H5* G 217 1H5* G 217 14.106 -21.225 -16.531 602 2H5* G 217 2H5* G 217 14.736 -22.872 -16.511 603 H4* G 217 H4* G 217 15.552 -21.987 -14.540 604 H3* G 217 H3* G 217 12.915 -23.269 -13.730 605 1H2* G 217 1H2* G 217 13.754 -23.139 -11.541 606 2HO* G 217 2HO* G 217 15.778 -24.056 -12.318 607 H1* G 217 H1* G 217 15.123 -20.656 -12.089 608 H8 G 217 H8 G 217 11.421 -21.153 -12.809 609 H1 G 217 H1 G 217 12.742 -18.378 -7.113 610 1H2 G 217 1H2 G 217 14.780 -18.388 -6.800 611 2H2 G 217 2H2 G 217 15.956 -19.049 -7.914 612 1H5* U 218 1H5* U 218 15.970 -25.976 -12.835 613 2H5* U 218 2H5* U 218 15.610 -27.669 -12.501 614 H4* U 218 H4* U 218 16.269 -26.584 -10.465 615 H3* U 218 H3* U 218 13.287 -27.151 -10.524 616 1H2* U 218 1H2* U 218 13.279 -26.675 -8.241 617 2HO* U 218 2HO* U 218 15.494 -26.759 -7.202 618 H1* U 218 H1* U 218 15.375 -24.714 -8.429 619 H3 U 218 H3 U 218 12.104 -22.142 -6.702 620 H5 U 218 H5 U 218 10.622 -23.164 -10.484 621 H6 U 218 H6 U 218 12.567 -24.634 -10.739 622 1H5* C 219 1H5* C 219 14.995 -29.276 -7.319 623 2H5* C 219 2H5* C 219 14.422 -30.944 -7.350 624 H4* C 219 H4* C 219 14.034 -30.278 -5.165 625 H3* C 219 H3* C 219 11.578 -30.273 -6.811 626 1H2* C 219 1H2* C 219 10.266 -29.122 -5.248 627 2HO* C 219 2HO* C 219 10.828 -29.358 -3.114 628 H1* C 219 H1* C 219 12.437 -27.358 -4.528 629 1H4 C 219 1H4 C 219 8.478 -23.557 -7.761 630 2H4 C 219 2H4 C 219 8.816 -24.437 -9.234 631 H5 C 219 H5 C 219 10.180 -26.361 -9.336 632 H6 C 219 H6 C 219 11.573 -27.931 -8.035 633 1H5* C 220 1H5* C 220 10.161 -32.675 -3.418 634 2H5* C 220 2H5* C 220 9.804 -34.281 -4.055 635 H4* C 220 H4* C 220 7.825 -33.710 -3.025 636 H3* C 220 H3* C 220 7.673 -33.177 -5.950 637 1H2* C 220 1H2* C 220 5.567 -32.134 -5.793 638 2HO* C 220 2HO* C 220 4.603 -32.271 -3.518 639 H1* C 220 H1* C 220 6.301 -30.664 -3.455 640 1H4 C 220 1H4 C 220 6.719 -26.207 -7.972 641 2H4 C 220 2H4 C 220 7.936 -27.135 -8.819 642 H5 C 220 H5 C 220 8.681 -29.268 -8.130 643 H6 C 220 H6 C 220 8.438 -31.053 -6.441 No H/Q in entry = 643 Start of MODEL 11 1 H MET 1 HN MET 1 -1.076 -10.988 0.037 2 HA MET 1 HA MET 1 -1.076 -9.400 2.485 3 1HB MET 1 2HB MET 1 -1.658 -12.357 2.006 4 2HB MET 1 3HB MET 1 -1.094 -11.820 3.574 5 1HG MET 1 2HG MET 1 -3.540 -10.647 2.166 6 2HG MET 1 3HG MET 1 -3.628 -11.936 3.350 7 1HE MET 1 1HE MET 1 -4.782 -11.259 5.096 8 2HE MET 1 2HE MET 1 -3.345 -11.409 6.136 9 3HE MET 1 3HE MET 1 -4.403 -9.984 6.277 10 H GLN 2 HN GLN 2 0.460 -12.195 0.745 11 HA GLN 2 HA GLN 2 2.738 -12.212 2.329 12 1HB GLN 2 2HB GLN 2 1.696 -13.720 0.200 13 2HB GLN 2 3HB GLN 2 3.194 -13.079 -0.444 14 1HG GLN 2 2HG GLN 2 4.324 -13.874 1.735 15 2HG GLN 2 3HG GLN 2 2.836 -14.724 2.098 16 1HE2 GLN 2 2HE2 GLN 2 3.115 -17.151 -0.493 17 2HE2 GLN 2 1HE2 GLN 2 1.999 -16.207 0.436 18 H LYS 3 HN LYS 3 2.377 -11.034 -1.102 19 HA LYS 3 HA LYS 3 3.363 -9.391 -2.200 20 1HB LYS 3 2HB LYS 3 3.738 -8.326 0.602 21 2HB LYS 3 3HB LYS 3 4.342 -7.461 -0.798 22 1HG LYS 3 2HG LYS 3 1.482 -8.435 -0.843 23 2HG LYS 3 3HG LYS 3 1.867 -7.034 0.138 24 1HD LYS 3 2HD LYS 3 2.032 -5.694 -1.691 25 2HD LYS 3 3HD LYS 3 3.140 -6.797 -2.481 26 1HE LYS 3 2HE LYS 3 0.944 -8.249 -2.899 27 2HE LYS 3 3HE LYS 3 0.116 -6.730 -2.622 28 1HZ LYS 3 1HZ LYS 3 2.336 -6.419 -4.407 29 2HZ LYS 3 2HZ LYS 3 1.262 -7.500 -4.983 30 H GLY 4 HN GLY 4 4.725 -11.673 -2.276 31 1HA GLY 4 1HA GLY 4 7.288 -11.751 -1.186 32 2HA GLY 4 2HA GLY 4 6.753 -12.566 -2.642 33 H ASN 5 HN ASN 5 5.938 -9.885 -3.894 34 HA ASN 5 HA ASN 5 8.231 -9.484 -5.335 35 1HB ASN 5 2HB ASN 5 5.626 -8.633 -5.523 36 2HB ASN 5 3HB ASN 5 6.379 -7.140 -5.002 37 1HD2 ASN 5 2HD2 ASN 5 7.759 -6.331 -8.065 38 2HD2 ASN 5 1HD2 ASN 5 7.335 -5.901 -6.442 39 H PHE 6 HN PHE 6 7.331 -8.446 -2.139 40 HA PHE 6 HA PHE 6 8.581 -5.971 -1.973 41 1HB PHE 6 2HB PHE 6 7.094 -6.790 -0.220 42 2HB PHE 6 3HB PHE 6 7.976 -8.298 -0.078 43 HD1 PHE 6 HD2 PHE 6 10.312 -8.235 0.923 44 HD2 PHE 6 HD1 PHE 6 7.635 -4.950 1.140 45 HE1 PHE 6 HE2 PHE 6 11.637 -7.280 2.828 46 HE2 PHE 6 HE1 PHE 6 8.960 -3.995 3.045 47 HZ PHE 6 HZ PHE 6 10.947 -5.171 3.866 48 H ARG 7 HN ARG 7 9.926 -9.130 -2.433 49 HA ARG 7 HA ARG 7 12.250 -8.893 -0.979 50 1HB ARG 7 2HB ARG 7 11.615 -10.367 -3.577 51 2HB ARG 7 3HB ARG 7 13.153 -10.546 -2.757 52 1HG ARG 7 2HG ARG 7 12.090 -11.452 -0.767 53 2HG ARG 7 3HG ARG 7 10.494 -11.017 -1.343 54 1HD ARG 7 2HD ARG 7 11.709 -12.642 -3.384 55 2HD ARG 7 3HD ARG 7 11.989 -13.446 -1.852 56 HE ARG 7 HE ARG 7 9.356 -12.828 -1.603 57 1HH1 ARG 7 2HH2 ARG 7 11.124 -14.239 -4.331 58 2HH1 ARG 7 1HH2 ARG 7 9.757 -15.125 -4.920 59 HH2 ARG 7 HH1 ARG 7 7.666 -14.967 -3.757 60 H ASN 8 HN ASN 8 11.133 -7.065 -3.655 61 HA ASN 8 HA ASN 8 13.365 -6.706 -5.175 62 1HB ASN 8 2HB ASN 8 12.352 -4.393 -5.650 63 2HB ASN 8 3HB ASN 8 11.256 -5.741 -5.883 64 1HD2 ASN 8 2HD2 ASN 8 9.910 -2.816 -3.756 65 2HD2 ASN 8 1HD2 ASN 8 10.929 -2.839 -5.156 66 H GLN 9 HN GLN 9 12.663 -5.750 -1.880 67 HA GLN 9 HA GLN 9 14.146 -3.444 -1.668 68 1HB GLN 9 2HB GLN 9 13.538 -5.637 0.355 69 2HB GLN 9 3HB GLN 9 14.329 -4.137 0.795 70 1HG GLN 9 2HG GLN 9 12.108 -3.303 -0.729 71 2HG GLN 9 3HG GLN 9 11.488 -4.645 0.213 72 1HE2 GLN 9 2HE2 GLN 9 10.840 -1.891 2.417 73 2HE2 GLN 9 1HE2 GLN 9 10.233 -2.717 1.022 74 H ARG 10 HN ARG 10 15.170 -6.647 -2.382 75 HA ARG 10 HA ARG 10 17.560 -6.775 -1.041 76 1HB ARG 10 2HB ARG 10 18.167 -8.501 -2.652 77 2HB ARG 10 3HB ARG 10 16.444 -8.634 -2.362 78 1HG ARG 10 2HG ARG 10 15.939 -7.424 -4.440 79 2HG ARG 10 3HG ARG 10 17.636 -7.070 -4.698 80 1HD ARG 10 2HD ARG 10 17.751 -9.807 -4.477 81 2HD ARG 10 3HD ARG 10 16.142 -9.624 -5.146 82 HE ARG 10 HE ARG 10 18.649 -9.137 -6.530 83 1HH1 ARG 10 2HH2 ARG 10 15.258 -8.118 -6.395 84 2HH1 ARG 10 1HH2 ARG 10 15.226 -7.579 -8.041 85 HH2 ARG 10 HH1 ARG 10 17.205 -7.770 -9.378 86 H LYS 11 HN LYS 11 16.530 -4.614 -3.519 87 HA LYS 11 HA LYS 11 19.327 -3.968 -4.145 88 1HB LYS 11 2HB LYS 11 18.854 -3.849 -6.329 89 2HB LYS 11 3HB LYS 11 17.427 -4.788 -5.940 90 1HG LYS 11 2HG LYS 11 16.388 -2.385 -5.377 91 2HG LYS 11 3HG LYS 11 17.666 -1.816 -6.432 92 1HD LYS 11 2HD LYS 11 16.199 -4.153 -7.523 93 2HD LYS 11 3HD LYS 11 15.177 -2.753 -7.268 94 1HE LYS 11 2HE LYS 11 17.846 -2.299 -8.593 95 2HE LYS 11 3HE LYS 11 16.600 -3.090 -9.537 96 1HZ LYS 11 1HZ LYS 11 16.806 -0.383 -9.084 97 2HZ LYS 11 2HZ LYS 11 15.528 -1.138 -9.754 98 H THR 12 HN THR 12 17.545 -3.157 -1.836 99 HA THR 12 HA THR 12 16.899 -1.316 -0.752 100 HB THR 12 HB THR 12 19.488 -1.105 -1.193 101 HG1 THR 12 HG1 THR 12 17.856 1.291 -0.762 102 1HG2 THR 12 2HG2 THR 12 18.428 0.397 -3.435 103 2HG2 THR 12 3HG2 THR 12 19.191 1.537 -2.300 104 3HG2 THR 12 1HG2 THR 12 20.132 0.180 -2.967 105 H VAL 13 HN VAL 13 15.157 -1.861 -2.792 106 HA VAL 13 HA VAL 13 14.663 -0.148 -4.763 107 HB VAL 13 HB VAL 13 12.251 -0.454 -4.257 108 1HG1 VAL 13 1HG1 VAL 13 14.266 -2.554 -4.597 109 2HG1 VAL 13 2HG1 VAL 13 12.739 -3.159 -3.910 110 3HG1 VAL 13 3HG1 VAL 13 12.733 -2.285 -5.460 111 1HG2 VAL 13 1HG2 VAL 13 13.345 -1.635 -1.692 112 2HG2 VAL 13 2HG2 VAL 13 12.143 -0.336 -1.888 113 3HG2 VAL 13 3HG2 VAL 13 11.722 -2.011 -2.316 114 H LYS 14 HN LYS 14 13.435 1.865 -5.023 115 HA LYS 14 HA LYS 14 13.892 3.628 -2.726 116 1HB LYS 14 2HB LYS 14 14.215 5.403 -4.239 117 2HB LYS 14 3HB LYS 14 15.111 4.053 -4.906 118 1HG LYS 14 2HG LYS 14 13.901 4.156 -6.819 119 2HG LYS 14 3HG LYS 14 12.419 3.889 -5.924 120 1HD LYS 14 2HD LYS 14 11.896 5.986 -6.715 121 2HD LYS 14 3HD LYS 14 12.797 6.507 -5.305 122 1HE LYS 14 2HE LYS 14 13.822 7.756 -7.015 123 2HE LYS 14 3HE LYS 14 14.904 6.385 -6.879 124 1HZ LYS 14 1HZ LYS 14 14.224 6.882 -9.203 125 2HZ LYS 14 2HZ LYS 14 13.827 5.362 -8.772 126 H CYS 15 HN CYS 15 12.225 4.941 -1.930 127 HA CYS 15 HA CYS 15 9.619 3.904 -2.416 128 1HB CYS 15 2HB CYS 15 10.346 4.585 -0.163 129 2HB CYS 15 3HB CYS 15 10.521 6.244 -0.701 130 H PHE 16 HN PHE 16 8.489 4.498 -4.238 131 HA PHE 16 HA PHE 16 9.181 6.833 -5.691 132 1HB PHE 16 2HB PHE 16 7.067 4.635 -5.724 133 2HB PHE 16 3HB PHE 16 6.839 6.019 -6.775 134 HD1 PHE 16 HD1 PHE 16 9.521 6.593 -7.744 135 HD2 PHE 16 HD2 PHE 16 7.652 2.845 -7.063 136 HE1 PHE 16 HE1 PHE 16 11.018 5.536 -9.460 137 HE2 PHE 16 HE2 PHE 16 9.149 1.787 -8.778 138 HZ PHE 16 HZ PHE 16 10.813 3.145 -9.956 139 H ASN 17 HN ASN 17 7.621 6.573 -2.781 140 HA ASN 17 HA ASN 17 5.513 8.426 -3.426 141 1HB ASN 17 2HB ASN 17 5.460 6.397 -1.700 142 2HB ASN 17 3HB ASN 17 6.247 7.526 -0.614 143 1HD2 ASN 17 2HD2 ASN 17 2.985 8.329 0.404 144 2HD2 ASN 17 1HD2 ASN 17 4.441 7.452 0.742 145 H CYS 18 HN CYS 18 8.063 8.159 -0.822 146 HA CYS 18 HA CYS 18 8.111 11.017 -0.566 147 1HB CYS 18 2HB CYS 18 9.740 10.584 1.248 148 2HB CYS 18 3HB CYS 18 8.237 9.705 1.459 149 H GLY 19 HN GLY 19 10.223 8.311 -1.702 150 1HA GLY 19 1HA GLY 19 11.565 8.634 -3.646 151 2HA GLY 19 2HA GLY 19 11.830 10.301 -3.174 152 H LYS 20 HN LYS 20 11.872 7.617 -0.814 153 HA LYS 20 HA LYS 20 14.700 8.212 -0.366 154 1HB LYS 20 2HB LYS 20 12.436 7.277 1.348 155 2HB LYS 20 3HB LYS 20 14.050 6.735 1.761 156 1HG LYS 20 2HG LYS 20 14.853 9.090 1.807 157 2HG LYS 20 3HG LYS 20 13.265 9.657 1.329 158 1HD LYS 20 2HD LYS 20 12.419 8.346 3.459 159 2HD LYS 20 3HD LYS 20 14.100 8.386 3.955 160 1HE LYS 20 2HE LYS 20 13.957 10.576 4.556 161 2HE LYS 20 3HE LYS 20 13.272 11.026 3.008 162 1HZ LYS 20 1HZ LYS 20 11.238 9.703 4.298 163 2HZ LYS 20 2HZ LYS 20 11.915 10.590 5.483 164 H GLU 21 HN GLU 21 15.591 5.898 0.837 165 HA GLU 21 HA GLU 21 15.029 3.829 -1.125 166 1HB GLU 21 2HB GLU 21 17.555 5.295 -0.764 167 2HB GLU 21 3HB GLU 21 17.774 3.565 -0.593 168 1HG GLU 21 2HG GLU 21 17.142 3.115 -2.794 169 2HG GLU 21 3HG GLU 21 16.070 4.498 -2.889 170 HE2 GLU 21 HE2 GLU 21 16.972 5.269 -4.661 171 H GLY 22 HN GLY 22 14.740 1.825 -0.199 172 1HA GLY 22 1HA GLY 22 15.695 0.251 1.448 173 2HA GLY 22 2HA GLY 22 15.579 1.544 2.626 174 H HIS 23 HN HIS 23 12.982 1.829 0.436 175 HA HIS 23 HA HIS 23 11.277 -0.153 1.491 176 1HB HIS 23 2HB HIS 23 9.927 1.024 2.974 177 2HB HIS 23 3HB HIS 23 11.553 1.485 3.438 178 HD1 HIS 23 HD1 HIS 23 12.317 3.950 2.903 179 HD2 HIS 23 HD2 HIS 23 8.319 3.101 1.958 180 HE1 HIS 23 HE1 HIS 23 11.181 6.201 2.515 181 H ILE 24 HN ILE 24 9.035 0.082 0.587 182 HA ILE 24 HA ILE 24 9.151 1.709 -1.854 183 HB ILE 24 HB ILE 24 7.899 0.070 -2.966 184 1HG1 ILE 24 2HG1 ILE 24 7.511 -1.442 -0.370 185 2HG1 ILE 24 3HG1 ILE 24 6.322 -0.346 -1.043 186 1HG2 ILE 24 1HG2 ILE 24 10.275 -0.773 -1.451 187 2HG2 ILE 24 2HG2 ILE 24 9.277 -2.115 -2.064 188 3HG2 ILE 24 3HG2 ILE 24 9.910 -0.890 -3.190 189 1HD1 ILE 24 2HD1 ILE 24 7.479 -2.605 -2.714 190 2HD1 ILE 24 3HD1 ILE 24 6.096 -2.867 -1.624 191 3HD1 ILE 24 1HD1 ILE 24 5.963 -1.706 -2.966 192 H ALA 25 HN ALA 25 7.025 2.566 -2.621 193 HA ALA 25 HA ALA 25 5.818 4.122 -0.731 194 1HB ALA 25 3HB ALA 25 5.117 3.142 -3.479 195 2HB ALA 25 1HB ALA 25 3.863 3.993 -2.545 196 3HB ALA 25 2HB ALA 25 5.410 4.800 -2.901 197 H LYS 26 HN LYS 26 5.029 0.776 -1.763 198 HA LYS 26 HA LYS 26 2.564 0.587 -0.489 199 1HB LYS 26 2HB LYS 26 4.592 -1.614 -0.975 200 2HB LYS 26 3HB LYS 26 2.874 -1.821 -0.695 201 1HG LYS 26 2HG LYS 26 3.639 0.044 -2.919 202 2HG LYS 26 3HG LYS 26 3.972 -1.657 -3.187 203 1HD LYS 26 2HD LYS 26 1.291 -1.195 -2.026 204 2HD LYS 26 3HD LYS 26 1.504 -0.388 -3.567 205 1HE LYS 26 2HE LYS 26 2.393 -2.612 -4.494 206 2HE LYS 26 3HE LYS 26 1.897 -3.360 -2.989 207 1HZ LYS 26 1HZ LYS 26 -0.387 -2.426 -3.473 208 2HZ LYS 26 2HZ LYS 26 0.133 -2.027 -4.963 209 H ASN 27 HN ASN 27 5.928 0.041 0.692 210 HA ASN 27 HA ASN 27 4.872 -0.592 3.290 211 1HB ASN 27 2HB ASN 27 7.665 -0.505 2.069 212 2HB ASN 27 3HB ASN 27 7.457 -0.672 3.801 213 1HD2 ASN 27 2HD2 ASN 27 6.032 -3.645 1.270 214 2HD2 ASN 27 1HD2 ASN 27 6.044 -1.979 0.798 215 H CYS 28 HN CYS 28 5.162 2.190 1.596 216 HA CYS 28 HA CYS 28 6.706 3.764 3.413 217 1HB CYS 28 2HB CYS 28 6.605 4.278 0.994 218 2HB CYS 28 3HB CYS 28 4.892 4.623 1.135 219 H ARG 29 HN ARG 29 5.887 5.160 5.037 220 HA ARG 29 HA ARG 29 3.298 4.449 5.959 221 1HB ARG 29 2HB ARG 29 5.707 5.715 7.031 222 2HB ARG 29 3HB ARG 29 4.297 6.655 7.474 223 1HG ARG 29 2HG ARG 29 3.559 3.924 7.852 224 2HG ARG 29 3HG ARG 29 5.176 4.075 8.510 225 1HD ARG 29 2HD ARG 29 4.524 5.712 10.101 226 2HD ARG 29 3HD ARG 29 3.100 6.176 9.193 227 HE ARG 29 HE ARG 29 1.917 4.332 10.092 228 1HH1 ARG 29 2HH2 ARG 29 5.341 4.148 10.985 229 2HH1 ARG 29 1HH2 ARG 29 5.096 2.903 12.162 230 HH2 ARG 29 HH1 ARG 29 2.883 2.059 12.535 231 H ALA 30 HN ALA 30 4.860 7.139 4.236 232 HA ALA 30 HA ALA 30 2.962 9.125 4.725 233 1HB ALA 30 3HB ALA 30 5.213 8.599 2.895 234 2HB ALA 30 1HB ALA 30 3.949 9.634 2.192 235 3HB ALA 30 2HB ALA 30 4.736 10.103 3.717 236 HA PRO 31 HA PRO 31 -0.374 7.887 2.266 237 1HB PRO 31 2HB PRO 31 -1.553 10.279 1.674 238 2HB PRO 31 3HB PRO 31 -1.759 9.464 3.211 239 1HG PRO 31 2HG PRO 31 -0.115 11.838 2.577 240 2HG PRO 31 3HG PRO 31 -0.668 11.271 4.141 241 1HD PRO 31 2HD PRO 31 1.972 11.000 3.052 242 2HD PRO 31 3HD PRO 31 1.388 10.334 4.564 243 H ARG 32 HN ARG 32 -1.376 7.759 0.151 244 HA ARG 32 HA ARG 32 0.542 7.656 -1.777 245 1HB ARG 32 2HB ARG 32 -2.303 7.228 -1.570 246 2HB ARG 32 3HB ARG 32 -2.027 8.173 -3.020 247 1HG ARG 32 2HG ARG 32 -1.677 6.077 -3.929 248 2HG ARG 32 3HG ARG 32 -0.043 6.378 -3.374 249 1HD ARG 32 2HD ARG 32 -1.472 5.312 -1.128 250 2HD ARG 32 3HD ARG 32 -1.904 4.319 -2.505 251 HE ARG 32 HE ARG 32 0.785 4.450 -2.834 252 1HH1 ARG 32 2HH2 ARG 32 -1.123 3.842 0.089 253 2HH1 ARG 32 1HH2 ARG 32 0.099 2.865 0.834 254 HH2 ARG 32 HH1 ARG 32 2.160 2.479 -0.326 255 H LYS 33 HN LYS 33 1.756 9.413 -2.455 256 HA LYS 33 HA LYS 33 0.241 11.782 -3.286 257 1HB LYS 33 2HB LYS 33 1.761 11.772 -1.031 258 2HB LYS 33 3HB LYS 33 2.968 12.233 -2.214 259 1HG LYS 33 2HG LYS 33 2.137 14.345 -1.889 260 2HG LYS 33 3HG LYS 33 0.900 13.837 -3.022 261 1HD LYS 33 2HD LYS 33 0.088 12.861 -0.455 262 2HD LYS 33 3HD LYS 33 0.623 14.511 -0.207 263 1HE LYS 33 2HE LYS 33 -1.353 13.679 -2.384 264 2HE LYS 33 3HE LYS 33 -1.835 14.289 -0.813 265 1HZ LYS 33 1HZ LYS 33 -1.238 16.393 -1.389 266 2HZ LYS 33 2HZ LYS 33 0.093 15.946 -2.213 267 H LYS 34 HN LYS 34 1.950 13.238 -4.652 268 HA LYS 34 HA LYS 34 3.647 11.516 -6.251 269 1HB LYS 34 2HB LYS 34 2.594 12.111 -8.353 270 2HB LYS 34 3HB LYS 34 1.447 11.289 -7.315 271 1HG LYS 34 2HG LYS 34 1.438 14.223 -6.925 272 2HG LYS 34 3HG LYS 34 1.042 13.758 -8.568 273 1HD LYS 34 2HD LYS 34 -1.039 13.143 -7.919 274 2HD LYS 34 3HD LYS 34 -0.366 11.964 -6.810 275 1HE LYS 34 2HE LYS 34 0.022 13.977 -5.192 276 2HE LYS 34 3HE LYS 34 -1.044 14.879 -6.250 277 1HZ LYS 34 1HZ LYS 34 -1.714 12.790 -4.383 278 2HZ LYS 34 2HZ LYS 34 -2.668 13.957 -4.998 279 H GLY 35 HN GLY 35 4.656 13.238 -4.473 280 1HA GLY 35 1HA GLY 35 5.060 15.813 -5.822 281 2HA GLY 35 2HA GLY 35 5.457 15.413 -4.163 282 H CYS 36 HN CYS 36 6.844 16.140 -7.065 283 HA CYS 36 HA CYS 36 8.737 14.191 -7.506 284 1HB CYS 36 2HB CYS 36 8.404 15.912 -9.134 285 2HB CYS 36 3HB CYS 36 8.796 17.180 -7.989 286 H TRP 37 HN TRP 37 10.344 13.434 -6.173 287 HA TRP 37 HA TRP 37 10.995 14.939 -3.801 288 1HB TRP 37 2HB TRP 37 12.595 12.578 -4.205 289 2HB TRP 37 3HB TRP 37 11.456 12.963 -2.930 290 HD1 TRP 37 HD1 TRP 37 8.786 12.261 -3.481 291 HE1 TRP 37 HE1 TRP 37 7.733 10.275 -4.863 292 HE3 TRP 37 HE3 TRP 37 12.986 11.191 -6.141 293 HZ2 TRP 37 HZ2 TRP 37 8.752 8.518 -6.868 294 HZ3 TRP 37 HZ3 TRP 37 12.872 9.325 -7.790 295 HH2 TRP 37 HH2 TRP 37 10.849 8.008 -8.173 296 H LYS 38 HN LYS 38 11.639 16.237 -6.315 297 HA LYS 38 HA LYS 38 14.556 16.261 -6.044 298 1HB LYS 38 2HB LYS 38 13.272 15.181 -8.233 299 2HB LYS 38 3HB LYS 38 13.558 16.830 -8.752 300 1HG LYS 38 2HG LYS 38 15.699 14.997 -7.573 301 2HG LYS 38 3HG LYS 38 15.465 15.270 -9.289 302 1HD LYS 38 2HD LYS 38 16.672 17.187 -9.199 303 2HD LYS 38 3HD LYS 38 15.608 17.844 -7.972 304 1HE LYS 38 2HE LYS 38 17.407 15.774 -6.881 305 2HE LYS 38 3HE LYS 38 18.294 17.097 -7.610 306 1HZ LYS 38 1HZ LYS 38 16.081 17.947 -5.951 307 2HZ LYS 38 2HZ LYS 38 17.253 17.173 -5.127 308 H CYS 39 HN CYS 39 11.587 17.950 -7.244 309 HA CYS 39 HA CYS 39 12.954 20.460 -6.614 310 1HB CYS 39 2HB CYS 39 11.212 21.510 -8.098 311 2HB CYS 39 3HB CYS 39 12.345 20.454 -8.917 312 H GLY 40 HN GLY 40 10.145 18.332 -6.075 313 1HA GLY 40 1HA GLY 40 8.979 18.287 -4.055 314 2HA GLY 40 2HA GLY 40 9.412 19.957 -3.747 315 H LYS 41 HN LYS 41 8.355 19.089 -7.003 316 HA LYS 41 HA LYS 41 5.940 20.655 -6.541 317 1HB LYS 41 2HB LYS 41 7.860 20.669 -8.563 318 2HB LYS 41 3HB LYS 41 6.491 19.857 -9.295 319 1HG LYS 41 2HG LYS 41 5.138 21.732 -9.193 320 2HG LYS 41 3HG LYS 41 5.820 22.280 -7.676 321 1HD LYS 41 2HD LYS 41 7.845 23.096 -8.820 322 2HD LYS 41 3HD LYS 41 7.303 22.418 -10.342 323 1HE LYS 41 2HE LYS 41 5.211 23.922 -10.116 324 2HE LYS 41 3HE LYS 41 6.038 24.720 -8.793 325 1HZ LYS 41 1HZ LYS 41 6.595 25.939 -10.724 326 2HZ LYS 41 2HZ LYS 41 7.931 25.050 -10.449 327 H GLU 42 HN GLU 42 3.947 19.744 -6.439 328 HA GLU 42 HA GLU 42 3.852 16.889 -6.732 329 1HB GLU 42 2HB GLU 42 1.618 17.087 -5.705 330 2HB GLU 42 3HB GLU 42 2.812 17.955 -4.760 331 1HG GLU 42 2HG GLU 42 1.543 19.823 -4.941 332 2HG GLU 42 3HG GLU 42 1.866 19.842 -6.663 333 HE2 GLU 42 HE2 GLU 42 -0.903 20.567 -6.000 334 H GLY 43 HN GLY 43 3.219 15.888 -8.592 335 1HA GLY 43 1HA GLY 43 1.130 16.014 -10.107 336 2HA GLY 43 2HA GLY 43 1.860 17.519 -10.628 337 H HIS 44 HN HIS 44 4.594 16.959 -10.682 338 HA HIS 44 HA HIS 44 4.656 14.959 -12.806 339 1HB HIS 44 2HB HIS 44 6.495 16.112 -13.718 340 2HB HIS 44 3HB HIS 44 5.335 17.343 -13.261 341 HD1 HIS 44 HD1 HIS 44 6.082 19.113 -11.585 342 HD2 HIS 44 HD2 HIS 44 8.801 15.940 -11.948 343 HE1 HIS 44 HE1 HIS 44 8.174 19.814 -10.305 344 H GLN 45 HN GLN 45 7.182 14.086 -12.930 345 HA GLN 45 HA GLN 45 7.804 13.214 -10.220 346 1HB GLN 45 2HB GLN 45 8.153 10.940 -10.966 347 2HB GLN 45 3HB GLN 45 6.562 11.435 -11.507 348 1HG GLN 45 2HG GLN 45 8.009 12.216 -13.679 349 2HG GLN 45 3HG GLN 45 9.042 10.917 -13.116 350 1HE2 GLN 45 2HE2 GLN 45 7.138 8.473 -14.628 351 2HE2 GLN 45 1HE2 GLN 45 8.672 9.121 -14.151 352 H MET 46 HN MET 46 10.105 12.441 -9.976 353 HA MET 46 HA MET 46 11.865 14.282 -10.890 354 1HB MET 46 2HB MET 46 12.124 12.525 -9.017 355 2HB MET 46 3HB MET 46 12.515 11.352 -10.258 356 1HG MET 46 2HG MET 46 14.337 13.114 -11.012 357 2HG MET 46 3HG MET 46 14.100 13.802 -9.418 358 1HE MET 46 1HE MET 46 16.539 12.469 -10.952 359 2HE MET 46 2HE MET 46 17.174 10.992 -10.187 360 3HE MET 46 3HE MET 46 15.879 10.878 -11.404 361 H LYS 47 HN LYS 47 11.143 11.017 -12.277 362 HA LYS 47 HA LYS 47 13.100 11.023 -14.232 363 1HB LYS 47 2HB LYS 47 10.765 9.479 -13.523 364 2HB LYS 47 3HB LYS 47 10.830 9.685 -15.262 365 1HG LYS 47 2HG LYS 47 12.103 7.679 -14.602 366 2HG LYS 47 3HG LYS 47 13.183 8.874 -15.291 367 1HD LYS 47 2HD LYS 47 14.274 8.048 -13.310 368 2HD LYS 47 3HD LYS 47 13.705 9.658 -12.917 369 1HE LYS 47 2HE LYS 47 11.511 8.253 -12.144 370 2HE LYS 47 3HE LYS 47 12.714 6.997 -11.930 371 1HZ LYS 47 1HZ LYS 47 13.524 9.555 -10.864 372 2HZ LYS 47 2HZ LYS 47 12.209 8.942 -10.124 373 H ASP 48 HN ASP 48 9.913 12.627 -14.075 374 HA ASP 48 HA ASP 48 10.474 13.688 -16.730 375 1HB ASP 48 2HB ASP 48 8.156 12.474 -15.715 376 2HB ASP 48 3HB ASP 48 7.781 14.182 -15.615 377 HD1 ASP 48 HD2 ASP 48 8.319 15.317 -17.579 378 H CYS 49 HN CYS 49 11.668 14.630 -14.177 379 HA CYS 49 HA CYS 49 10.351 16.686 -12.964 380 1HB CYS 49 2HB CYS 49 12.546 15.713 -12.265 381 2HB CYS 49 3HB CYS 49 13.324 16.592 -13.566 382 H THR 50 HN THR 50 9.342 18.411 -13.940 383 HA THR 50 HA THR 50 10.212 19.302 -16.537 384 HB THR 50 HB THR 50 7.800 19.090 -15.869 385 HG1 THR 50 HG1 THR 50 8.705 21.865 -16.124 386 1HG2 THR 50 3HG2 THR 50 8.673 21.190 -13.844 387 2HG2 THR 50 1HG2 THR 50 7.008 21.175 -14.471 388 3HG2 THR 50 2HG2 THR 50 7.638 19.767 -13.583 389 H GLU 51 HN GLU 51 11.564 19.723 -13.578 390 HA GLU 51 HA GLU 51 11.999 22.560 -13.925 391 1HB GLU 51 2HB GLU 51 11.460 21.657 -11.659 392 2HB GLU 51 3HB GLU 51 12.910 20.673 -11.706 393 1HG GLU 51 2HG GLU 51 13.558 22.611 -10.483 394 2HG GLU 51 3HG GLU 51 14.225 22.870 -12.083 395 HE1 GLU 51 HE2 GLU 51 11.739 25.134 -10.269 396 H ARG 52 HN ARG 52 13.996 19.567 -13.342 397 HA ARG 52 HA ARG 52 16.421 20.537 -13.734 398 1HB ARG 52 2HB ARG 52 15.406 18.030 -13.544 399 2HB ARG 52 3HB ARG 52 15.787 18.009 -15.255 400 1HG ARG 52 2HG ARG 52 17.953 19.129 -13.550 401 2HG ARG 52 3HG ARG 52 17.586 17.448 -13.219 402 1HD ARG 52 2HD ARG 52 19.067 17.098 -14.958 403 2HD ARG 52 3HD ARG 52 17.623 17.311 -15.929 404 HE ARG 52 HE ARG 52 18.474 19.893 -15.689 405 1HH1 ARG 52 2HH2 ARG 52 20.235 16.938 -16.542 406 2HH1 ARG 52 1HH2 ARG 52 21.389 17.764 -17.534 407 HH2 ARG 52 HH1 ARG 52 21.231 20.142 -17.788 408 H GLN 53 HN GLN 53 16.985 22.089 -15.259 409 HA GLN 53 HA GLN 53 17.328 21.347 -17.888 410 1HB GLN 53 2HB GLN 53 14.823 21.534 -17.976 411 2HB GLN 53 3HB GLN 53 14.949 23.219 -17.511 412 1HG GLN 53 2HG GLN 53 15.142 23.715 -19.718 413 2HG GLN 53 3HG GLN 53 16.743 23.006 -19.664 414 1HE2 GLN 53 2HE2 GLN 53 15.997 20.406 -21.801 415 2HE2 GLN 53 1HE2 GLN 53 17.137 21.479 -21.059 416 H ALA 54 HN ALA 54 19.182 22.468 -18.285 417 HA ALA 54 HA ALA 54 20.001 24.646 -16.777 418 1HB ALA 54 1HB ALA 54 20.881 23.135 -19.153 419 2HB ALA 54 2HB ALA 54 21.408 24.835 -19.151 420 3HB ALA 54 3HB ALA 54 21.829 23.773 -17.787 421 H ASN 55 HN ASN 55 19.816 26.867 -16.991 422 HA ASN 55 HA ASN 55 17.654 27.966 -18.048 423 1HB ASN 55 2HB ASN 55 19.056 30.130 -18.230 424 2HB ASN 55 3HB ASN 55 19.097 29.324 -16.675 425 1HD2 ASN 55 2HD2 ASN 55 22.501 28.693 -16.638 426 2HD2 ASN 55 1HD2 ASN 55 20.960 28.653 -15.849 427 1H5* G 201 1H5* G 201 1.361 -22.930 -4.562 428 2H5* G 201 2H5* G 201 1.821 -21.236 -4.403 429 H4* G 201 H4* G 201 1.603 -22.181 -2.218 430 H3* G 201 H3* G 201 4.301 -21.349 -3.102 431 1H2* G 201 1H2* G 201 5.413 -22.294 -1.245 432 2HO* G 201 2HO* G 201 3.687 -21.624 0.169 433 H1* G 201 H1* G 201 4.108 -24.754 -1.391 434 H8 G 201 H8 G 201 5.437 -22.536 -4.239 435 H1 G 201 H1 G 201 8.652 -28.065 -3.246 436 1H2 G 201 1H2 G 201 7.784 -29.095 -1.683 437 2H2 G 201 2H2 G 201 6.394 -28.543 -0.778 438 1H5* G 202 1H5* G 202 3.745 -19.619 0.478 439 2H5* G 202 2H5* G 202 4.347 -18.014 0.890 440 H4* G 202 H4* G 202 5.713 -19.638 1.983 441 H3* G 202 H3* G 202 7.071 -18.255 -0.327 442 1H2* G 202 1H2* G 202 9.076 -19.355 0.214 443 2HO* G 202 2HO* G 202 7.666 -20.163 2.592 444 H1* G 202 H1* G 202 7.875 -21.837 0.767 445 H8 G 202 H8 G 202 6.857 -19.636 -2.196 446 H1 G 202 H1 G 202 10.895 -24.493 -3.604 447 1H2 G 202 1H2 G 202 11.434 -25.467 -1.868 448 2H2 G 202 2H2 G 202 10.875 -25.031 -0.268 449 1H5* A 203 1H5* A 203 10.026 -18.512 3.047 450 2H5* A 203 2H5* A 203 10.345 -16.789 3.244 451 H4* A 203 H4* A 203 12.447 -17.845 3.118 452 H3* A 203 H3* A 203 11.685 -16.300 0.692 453 1H2* A 203 1H2* A 203 13.543 -17.019 -0.542 454 2HO* A 203 2HO* A 203 14.978 -18.467 1.138 455 H1* A 203 H1* A 203 13.420 -19.701 0.338 456 H8 A 203 H8 A 203 10.310 -17.739 -0.704 457 1H6 A 203 1H6 A 203 10.840 -20.720 -6.161 458 2H6 A 203 2H6 A 203 9.846 -19.612 -5.242 459 H2 A 203 H2 A 203 14.318 -21.828 -3.628 460 1H5* C 204 1H5* C 204 15.642 -15.665 1.447 461 2H5* C 204 2H5* C 204 16.265 -14.052 1.107 462 H4* C 204 H4* C 204 17.433 -15.581 -0.283 463 H3* C 204 H3* C 204 15.373 -13.997 -1.831 464 1H2* C 204 1H2* C 204 16.272 -14.886 -3.810 465 2HO* C 204 2HO* C 204 18.387 -15.932 -2.168 466 H1* C 204 H1* C 204 16.654 -17.478 -2.798 467 1H4 C 204 1H4 C 204 11.032 -18.044 -5.721 468 2H4 C 204 2H4 C 204 10.300 -16.932 -4.587 469 H5 C 204 H5 C 204 11.492 -15.820 -2.878 470 H6 C 204 H6 C 204 13.703 -15.499 -1.826 471 1H5* U 205 1H5* U 205 19.161 -12.844 -2.857 472 2H5* U 205 2H5* U 205 19.533 -11.347 -3.712 473 H4* U 205 H4* U 205 19.530 -13.665 -4.948 474 H3* U 205 H3* U 205 18.592 -11.012 -6.009 475 1H2* U 205 1H2* U 205 17.486 -12.112 -7.665 476 2HO* U 205 2HO* U 205 19.536 -13.859 -8.291 477 H1* U 205 H1* U 205 18.236 -14.869 -7.092 478 H3 U 205 H3 U 205 13.905 -15.539 -8.136 479 H5 U 205 H5 U 205 13.703 -13.089 -4.745 480 H6 U 205 H6 U 205 16.146 -12.906 -4.854 481 1H5* A 206 1H5* A 206 21.257 -11.583 -9.315 482 2H5* A 206 2H5* A 206 21.618 -9.914 -9.758 483 H4* A 206 H4* A 206 20.128 -11.231 -11.332 484 H3* A 206 H3* A 206 19.153 -8.570 -10.239 485 1H2* A 206 1H2* A 206 17.388 -8.787 -11.674 486 2HO* A 206 2HO* A 206 19.109 -8.635 -13.316 487 H1* A 206 H1* A 206 17.729 -11.617 -12.259 488 H8 A 206 H8 A 206 16.996 -10.372 -8.754 489 1H6 A 206 1H6 A 206 11.020 -11.684 -9.990 490 2H6 A 206 2H6 A 206 12.130 -11.177 -8.737 491 H2 A 206 H2 A 206 13.370 -12.254 -13.719 492 1H5* G 207 1H5* G 207 20.168 -7.105 -14.049 493 2H5* G 207 2H5* G 207 19.908 -5.361 -13.988 494 H4* G 207 H4* G 207 18.016 -6.691 -14.941 495 H3* G 207 H3* G 207 17.256 -5.164 -12.421 496 1H2* G 207 1H2* G 207 15.124 -5.156 -13.429 497 2HO* G 207 2HO* G 207 16.166 -6.176 -15.857 498 H1* G 207 H1* G 207 15.478 -7.757 -14.550 499 H8 G 207 H8 G 207 16.310 -6.979 -10.910 500 H1 G 207 H1 G 207 10.446 -9.534 -11.899 501 1H2 G 207 1H2 G 207 10.102 -9.703 -13.925 502 2H2 G 207 2H2 G 207 11.234 -9.226 -15.171 503 1H5* C 208 1H5* C 208 17.676 -1.848 -15.618 504 2H5* C 208 2H5* C 208 17.406 -0.233 -14.964 505 H4* C 208 H4* C 208 15.629 -1.010 -16.509 506 H3* C 208 H3* C 208 15.021 -0.145 -13.716 507 1H2* C 208 1H2* C 208 12.786 -0.754 -13.870 508 2HO* C 208 2HO* C 208 11.824 -0.639 -15.922 509 H1* C 208 H1* C 208 13.283 -2.992 -15.627 510 1H4 C 208 1H4 C 208 11.568 -5.775 -10.161 511 2H4 C 208 2H4 C 208 13.039 -5.215 -9.399 512 H5 C 208 H5 C 208 14.618 -3.815 -10.457 513 H6 C 208 H6 C 208 15.181 -2.595 -12.529 514 1H5* G 209 1H5* G 209 12.804 1.638 -16.278 515 2H5* G 209 2H5* G 209 11.898 3.151 -16.284 516 H4* G 209 H4* G 209 10.637 1.397 -15.187 517 H3* G 209 H3* G 209 11.611 3.322 -13.044 518 1H2* G 209 1H2* G 209 9.705 2.577 -11.937 519 2HO* G 209 2HO* G 209 8.788 1.797 -14.554 520 H1* G 209 H1* G 209 9.603 -0.001 -12.954 521 H8 G 209 H8 G 209 12.887 1.781 -12.080 522 H1 G 209 H1 G 209 10.797 -2.520 -7.718 523 1H2 G 209 1H2 G 209 8.979 -3.283 -8.321 524 2H2 G 209 2H2 G 209 8.145 -2.826 -9.789 525 1H5* G 210 1H5* G 210 10.624 6.623 -11.410 526 2H5* G 210 2H5* G 210 10.253 4.903 -11.530 527 H4* G 210 H4* G 210 8.331 5.234 -10.487 528 H3* G 210 H3* G 210 7.736 6.640 -12.980 529 1H2* G 210 1H2* G 210 7.008 8.534 -11.909 530 2HO* G 210 2HO* G 210 4.874 7.955 -10.892 531 H1* G 210 H1* G 210 6.567 7.614 -9.196 532 H8 G 210 H8 G 210 9.813 8.417 -11.089 533 H1 G 210 H1 G 210 8.129 12.650 -6.492 534 1H2 G 210 1H2 G 210 6.334 12.078 -5.652 535 2H2 G 210 2H2 G 210 5.422 10.662 -6.123 536 1H5* A 211 1H5* A 211 7.889 3.447 -11.229 537 2H5* A 211 2H5* A 211 7.780 1.719 -11.561 538 H4* A 211 H4* A 211 6.733 1.902 -9.515 539 H3* A 211 H3* A 211 4.726 1.828 -11.715 540 1H2* A 211 1H2* A 211 3.580 3.317 -10.248 541 2HO* A 211 2HO* A 211 2.447 1.365 -10.598 542 H1* A 211 H1* A 211 4.598 1.683 -7.883 543 H8 A 211 H8 A 211 4.822 5.365 -8.932 544 1H6 A 211 1H6 A 211 1.868 6.554 -3.564 545 2H6 A 211 2H6 A 211 2.609 7.290 -4.967 546 H2 A 211 H2 A 211 2.237 2.147 -4.001 547 1H5* G 212 1H5* G 212 3.298 -3.283 -10.489 548 2H5* G 212 2H5* G 212 2.459 -3.002 -8.965 549 H4* G 212 H4* G 212 5.241 -3.627 -9.463 550 H3* G 212 H3* G 212 3.288 -3.913 -7.282 551 1H2* G 212 1H2* G 212 4.596 -2.945 -5.693 552 2HO* G 212 2HO* G 212 6.368 -4.261 -5.247 553 H1* G 212 H1* G 212 6.886 -2.533 -7.615 554 H8 G 212 H8 G 212 4.001 -0.422 -6.204 555 H1 G 212 H1 G 212 9.958 1.756 -4.921 556 1H2 G 212 1H2 G 212 11.352 0.458 -5.712 557 2H2 G 212 2H2 G 212 10.963 -1.003 -6.592 558 1H5* G 213 1H5* G 213 3.687 -5.075 -9.771 559 2H5* G 213 2H5* G 213 1.953 -4.926 -9.483 560 H4* G 213 H4* G 213 1.395 -6.265 -11.239 561 H3* G 213 H3* G 213 3.544 -7.983 -10.379 562 1H2* G 213 1H2* G 213 4.695 -8.299 -12.369 563 2HO* G 213 2HO* G 213 2.272 -7.245 -13.519 564 H1* G 213 H1* G 213 4.526 -5.772 -13.440 565 H8 G 213 H8 G 213 4.921 -6.637 -9.714 566 H1 G 213 H1 G 213 10.163 -4.168 -12.596 567 1H2 G 213 1H2 G 213 9.748 -3.800 -14.582 568 2H2 G 213 2H2 G 213 8.208 -4.114 -15.352 569 1H5* C 214 1H5* C 214 1.848 -9.794 -13.690 570 2H5* C 214 2H5* C 214 1.750 -11.555 -13.692 571 H4* C 214 H4* C 214 3.178 -10.868 -15.478 572 H3* C 214 H3* C 214 4.658 -12.129 -13.167 573 1H2* C 214 1H2* C 214 6.620 -12.122 -14.484 574 2HO* C 214 2HO* C 214 4.835 -11.270 -16.581 575 H1* C 214 H1* C 214 6.304 -9.522 -15.417 576 1H4 C 214 1H4 C 214 9.794 -8.527 -10.195 577 2H4 C 214 2H4 C 214 8.490 -9.098 -9.178 578 H5 C 214 H5 C 214 6.444 -9.934 -10.008 579 H6 C 214 H6 C 214 5.131 -10.435 -12.040 580 1H5* U 215 1H5* U 215 4.972 -14.429 -16.434 581 2H5* U 215 2H5* U 215 5.093 -16.188 -16.419 582 H4* U 215 H4* U 215 7.123 -15.192 -17.292 583 H3* U 215 H3* U 215 7.309 -16.686 -14.697 584 1H2* U 215 1H2* U 215 9.470 -16.014 -14.364 585 2HO* U 215 2HO* U 215 9.503 -15.967 -17.245 586 H1* U 215 H1* U 215 9.485 -13.759 -16.177 587 H3 U 215 H3 U 215 11.018 -11.647 -12.517 588 H5 U 215 H5 U 215 7.212 -12.934 -11.336 589 H6 U 215 H6 U 215 7.049 -14.105 -13.484 590 1H5* A 216 1H5* A 216 9.670 -18.180 -17.426 591 2H5* A 216 2H5* A 216 10.232 -19.833 -17.678 592 H4* A 216 H4* A 216 12.045 -18.509 -16.842 593 H3* A 216 H3* A 216 10.951 -20.484 -14.832 594 1H2* A 216 1H2* A 216 12.590 -19.841 -13.339 595 2HO* A 216 2HO* A 216 14.342 -18.551 -14.965 596 H1* A 216 H1* A 216 12.898 -17.178 -14.497 597 H8 A 216 H8 A 216 9.616 -18.363 -13.019 598 1H6 A 216 1H6 A 216 11.363 -15.388 -7.818 599 2H6 A 216 2H6 A 216 10.047 -16.248 -8.584 600 H2 A 216 H2 A 216 14.759 -15.291 -10.683 601 1H5* G 217 1H5* G 217 14.607 -21.305 -15.823 602 2H5* G 217 2H5* G 217 15.486 -22.830 -15.704 603 H4* G 217 H4* G 217 16.269 -21.576 -13.907 604 H3* G 217 H3* G 217 14.043 -23.322 -12.796 605 1H2* G 217 1H2* G 217 14.912 -22.788 -10.686 606 2HO* G 217 2HO* G 217 17.195 -21.746 -12.088 607 H1* G 217 H1* G 217 15.684 -20.134 -11.559 608 H8 G 217 H8 G 217 12.133 -21.447 -11.900 609 H1 G 217 H1 G 217 13.232 -17.933 -6.578 610 1H2 G 217 1H2 G 217 15.244 -17.498 -6.443 611 2H2 G 217 2H2 G 217 16.453 -18.010 -7.600 612 1H5* U 218 1H5* U 218 17.694 -24.661 -11.952 613 2H5* U 218 2H5* U 218 18.262 -26.311 -11.697 614 H4* U 218 H4* U 218 18.633 -25.329 -9.644 615 H3* U 218 H3* U 218 15.930 -26.675 -9.522 616 1H2* U 218 1H2* U 218 15.802 -26.120 -7.254 617 2HO* U 218 2HO* U 218 18.015 -25.312 -6.380 618 H1* U 218 H1* U 218 17.189 -23.609 -7.655 619 H3 U 218 H3 U 218 13.418 -22.109 -5.683 620 H5 U 218 H5 U 218 12.057 -23.660 -9.327 621 H6 U 218 H6 U 218 14.334 -24.481 -9.715 622 1H5* C 219 1H5* C 219 18.273 -27.895 -5.926 623 2H5* C 219 2H5* C 219 18.055 -29.646 -5.934 624 H4* C 219 H4* C 219 17.495 -28.906 -3.765 625 H3* C 219 H3* C 219 15.192 -29.756 -5.440 626 1H2* C 219 1H2* C 219 13.584 -29.031 -3.903 627 2HO* C 219 2HO* C 219 15.143 -28.224 -1.837 628 H1* C 219 H1* C 219 15.134 -26.685 -3.202 629 1H4 C 219 1H4 C 219 10.147 -24.269 -6.345 630 2H4 C 219 2H4 C 219 10.716 -24.996 -7.831 631 H5 C 219 H5 C 219 12.603 -26.409 -7.966 632 H6 C 219 H6 C 219 14.428 -27.484 -6.695 633 1H5* C 220 1H5* C 220 14.749 -32.593 -1.954 634 2H5* C 220 2H5* C 220 14.830 -34.194 -2.688 635 H4* C 220 H4* C 220 12.841 -34.238 -1.494 636 H3* C 220 H3* C 220 12.397 -33.798 -4.398 637 1H2* C 220 1H2* C 220 10.089 -33.393 -4.147 638 2HO* C 220 2HO* C 220 9.113 -34.289 -2.375 639 H1* C 220 H1* C 220 10.475 -31.738 -1.852 640 1H4 C 220 1H4 C 220 9.451 -27.406 -6.392 641 2H4 C 220 2H4 C 220 10.825 -27.988 -7.304 642 H5 C 220 H5 C 220 12.151 -29.830 -6.652 643 H6 C 220 H6 C 220 12.489 -31.584 -4.946 No H/Q in entry = 643 Start of MODEL 12 1 H MET 1 HN MET 1 4.272 -15.840 0.158 2 HA MET 1 HA MET 1 3.884 -15.612 2.419 3 1HB MET 1 2HB MET 1 6.514 -14.129 2.231 4 2HB MET 1 3HB MET 1 5.419 -13.640 3.509 5 1HG MET 1 2HG MET 1 5.270 -16.302 3.916 6 2HG MET 1 3HG MET 1 6.833 -16.279 3.125 7 1HE MET 1 2HE MET 1 4.763 -15.545 6.192 8 2HE MET 1 3HE MET 1 5.716 -14.389 7.152 9 3HE MET 1 1HE MET 1 4.912 -13.854 5.657 10 H GLN 2 HN GLN 2 2.393 -14.621 0.460 11 HA GLN 2 HA GLN 2 1.065 -13.032 -0.201 12 1HB GLN 2 2HB GLN 2 1.015 -12.999 2.597 13 2HB GLN 2 3HB GLN 2 1.195 -11.306 2.186 14 1HG GLN 2 2HG GLN 2 -0.904 -13.112 0.903 15 2HG GLN 2 3HG GLN 2 -1.218 -12.156 2.339 16 1HE2 GLN 2 2HE2 GLN 2 -2.435 -10.186 -0.507 17 2HE2 GLN 2 1HE2 GLN 2 -2.792 -11.677 0.299 18 H LYS 3 HN LYS 3 1.919 -11.832 -1.863 19 HA LYS 3 HA LYS 3 2.825 -10.106 -2.905 20 1HB LYS 3 2HB LYS 3 1.672 -8.734 -1.183 21 2HB LYS 3 3HB LYS 3 3.105 -8.807 -0.178 22 1HG LYS 3 2HG LYS 3 4.350 -7.900 -2.335 23 2HG LYS 3 3HG LYS 3 2.744 -7.423 -2.850 24 1HD LYS 3 2HD LYS 3 3.379 -6.694 -0.035 25 2HD LYS 3 3HD LYS 3 4.400 -5.910 -1.224 26 1HE LYS 3 2HE LYS 3 2.506 -4.458 -0.927 27 2HE LYS 3 3HE LYS 3 2.268 -5.238 -2.478 28 1HZ LYS 3 1HZ LYS 3 1.094 -6.436 -0.051 29 2HZ LYS 3 2HZ LYS 3 0.322 -5.217 -0.803 30 H GLY 4 HN GLY 4 4.393 -12.179 -2.892 31 1HA GLY 4 1HA GLY 4 6.801 -12.091 -1.482 32 2HA GLY 4 2HA GLY 4 6.519 -12.894 -3.015 33 H ASN 5 HN ASN 5 5.592 -10.093 -4.109 34 HA ASN 5 HA ASN 5 7.937 -9.502 -5.392 35 1HB ASN 5 2HB ASN 5 5.316 -8.698 -5.621 36 2HB ASN 5 3HB ASN 5 6.010 -7.242 -4.939 37 1HD2 ASN 5 2HD2 ASN 5 7.375 -6.115 -7.898 38 2HD2 ASN 5 1HD2 ASN 5 6.806 -5.829 -6.287 39 H PHE 6 HN PHE 6 6.883 -8.819 -2.157 40 HA PHE 6 HA PHE 6 8.042 -6.331 -1.698 41 1HB PHE 6 2HB PHE 6 6.490 -7.387 -0.121 42 2HB PHE 6 3HB PHE 6 7.456 -8.847 -0.048 43 HD1 PHE 6 HD1 PHE 6 9.572 -8.869 1.234 44 HD2 PHE 6 HD2 PHE 6 7.000 -5.494 1.259 45 HE1 PHE 6 HE1 PHE 6 10.736 -7.997 3.280 46 HE2 PHE 6 HE2 PHE 6 8.164 -4.622 3.305 47 HZ PHE 6 HZ PHE 6 10.018 -5.884 4.291 48 H ARG 7 HN ARG 7 9.484 -9.439 -2.319 49 HA ARG 7 HA ARG 7 11.741 -9.244 -0.764 50 1HB ARG 7 2HB ARG 7 11.332 -10.521 -3.515 51 2HB ARG 7 3HB ARG 7 12.759 -10.786 -2.532 52 1HG ARG 7 2HG ARG 7 11.468 -11.841 -0.772 53 2HG ARG 7 3HG ARG 7 9.951 -11.319 -1.475 54 1HD ARG 7 2HD ARG 7 11.898 -13.256 -2.818 55 2HD ARG 7 3HD ARG 7 10.471 -13.746 -1.928 56 HE ARG 7 HE ARG 7 10.009 -11.811 -4.117 57 1HH1 ARG 7 2HH2 ARG 7 9.973 -15.205 -3.101 58 2HH1 ARG 7 1HH2 ARG 7 8.931 -15.709 -4.390 59 HH2 ARG 7 HH1 ARG 7 8.155 -14.087 -5.974 60 H ASN 8 HN ASN 8 10.688 -7.252 -3.345 61 HA ASN 8 HA ASN 8 12.961 -6.736 -4.752 62 1HB ASN 8 2HB ASN 8 11.924 -4.475 -5.184 63 2HB ASN 8 3HB ASN 8 10.777 -5.786 -5.375 64 1HD2 ASN 8 2HD2 ASN 8 9.613 -2.821 -3.194 65 2HD2 ASN 8 1HD2 ASN 8 10.581 -2.873 -4.630 66 H GLN 9 HN GLN 9 12.170 -6.095 -1.413 67 HA GLN 9 HA GLN 9 13.613 -3.772 -0.992 68 1HB GLN 9 2HB GLN 9 12.641 -6.039 0.738 69 2HB GLN 9 3HB GLN 9 13.779 -4.902 1.434 70 1HG GLN 9 2HG GLN 9 12.248 -3.012 0.678 71 2HG GLN 9 3HG GLN 9 11.083 -4.219 0.171 72 1HE2 GLN 9 2HE2 GLN 9 9.905 -3.286 3.457 73 2HE2 GLN 9 1HE2 GLN 9 9.970 -2.713 1.823 74 H ARG 10 HN ARG 10 14.689 -6.858 -1.963 75 HA ARG 10 HA ARG 10 17.124 -6.827 -0.514 76 1HB ARG 10 2HB ARG 10 17.679 -8.821 -1.821 77 2HB ARG 10 3HB ARG 10 15.997 -8.933 -1.342 78 1HG ARG 10 2HG ARG 10 15.313 -8.987 -3.505 79 2HG ARG 10 3HG ARG 10 16.171 -7.503 -3.868 80 1HD ARG 10 2HD ARG 10 17.752 -10.072 -3.603 81 2HD ARG 10 3HD ARG 10 16.843 -9.788 -5.074 82 HE ARG 10 HE ARG 10 19.194 -8.260 -4.135 83 1HH1 ARG 10 2HH2 ARG 10 16.521 -8.456 -6.453 84 2HH1 ARG 10 1HH2 ARG 10 17.256 -7.368 -7.582 85 HH2 ARG 10 HH1 ARG 10 19.398 -6.420 -7.074 86 H LYS 11 HN LYS 11 16.019 -4.777 -2.816 87 HA LYS 11 HA LYS 11 18.697 -4.428 -3.952 88 1HB LYS 11 2HB LYS 11 17.421 -5.514 -5.682 89 2HB LYS 11 3HB LYS 11 16.072 -4.419 -5.462 90 1HG LYS 11 2HG LYS 11 17.163 -2.625 -6.499 91 2HG LYS 11 3HG LYS 11 18.760 -3.199 -6.062 92 1HD LYS 11 2HD LYS 11 18.872 -4.708 -7.852 93 2HD LYS 11 3HD LYS 11 17.133 -4.907 -7.939 94 1HE LYS 11 2HE LYS 11 17.014 -3.333 -9.565 95 2HE LYS 11 3HE LYS 11 17.690 -2.137 -8.478 96 1HZ LYS 11 1HZ LYS 11 18.939 -3.096 -10.691 97 2HZ LYS 11 2HZ LYS 11 19.696 -2.318 -9.477 98 H THR 12 HN THR 12 17.657 -3.217 -1.591 99 HA THR 12 HA THR 12 16.945 -1.240 -0.730 100 HB THR 12 HB THR 12 19.497 -1.237 -1.424 101 HG1 THR 12 HG1 THR 12 19.400 0.606 -0.164 102 1HG2 THR 12 2HG2 THR 12 18.414 -0.111 -3.780 103 2HG2 THR 12 3HG2 THR 12 18.985 1.291 -2.845 104 3HG2 THR 12 1HG2 THR 12 20.115 -0.019 -3.263 105 H VAL 13 HN VAL 13 15.003 -1.942 -2.519 106 HA VAL 13 HA VAL 13 14.439 -0.436 -4.655 107 HB VAL 13 HB VAL 13 12.039 -0.563 -3.871 108 1HG1 VAL 13 2HG1 VAL 13 13.932 -2.755 -4.388 109 2HG1 VAL 13 3HG1 VAL 13 12.434 -3.271 -3.578 110 3HG1 VAL 13 1HG1 VAL 13 12.352 -2.402 -5.129 111 1HG2 VAL 13 3HG2 VAL 13 13.365 -1.857 -1.468 112 2HG2 VAL 13 1HG2 VAL 13 12.324 -0.412 -1.484 113 3HG2 VAL 13 2HG2 VAL 13 11.637 -2.010 -1.867 114 H LYS 14 HN LYS 14 13.234 1.574 -5.036 115 HA LYS 14 HA LYS 14 13.880 3.543 -2.960 116 1HB LYS 14 2HB LYS 14 15.084 4.023 -4.949 117 2HB LYS 14 3HB LYS 14 13.689 3.736 -5.969 118 1HG LYS 14 2HG LYS 14 12.540 5.714 -5.034 119 2HG LYS 14 3HG LYS 14 13.842 5.967 -3.887 120 1HD LYS 14 2HD LYS 14 14.240 7.502 -5.698 121 2HD LYS 14 3HD LYS 14 15.432 6.229 -5.869 122 1HE LYS 14 2HE LYS 14 13.691 5.083 -7.461 123 2HE LYS 14 3HE LYS 14 12.893 6.644 -7.491 124 1HZ LYS 14 1HZ LYS 14 14.471 7.420 -8.875 125 2HZ LYS 14 2HZ LYS 14 15.698 6.931 -7.924 126 H CYS 15 HN CYS 15 12.291 4.903 -2.140 127 HA CYS 15 HA CYS 15 9.627 3.940 -2.469 128 1HB CYS 15 2HB CYS 15 10.484 4.663 -0.271 129 2HB CYS 15 3HB CYS 15 10.685 6.297 -0.872 130 H PHE 16 HN PHE 16 8.369 4.555 -4.192 131 HA PHE 16 HA PHE 16 9.104 6.831 -5.751 132 1HB PHE 16 2HB PHE 16 6.930 4.685 -5.683 133 2HB PHE 16 3HB PHE 16 6.743 6.040 -6.779 134 HD1 PHE 16 HD1 PHE 16 9.532 6.449 -7.681 135 HD2 PHE 16 HD2 PHE 16 7.341 2.866 -7.072 136 HE1 PHE 16 HE1 PHE 16 10.973 5.280 -9.371 137 HE2 PHE 16 HE2 PHE 16 8.782 1.697 -8.763 138 HZ PHE 16 HZ PHE 16 10.581 2.918 -9.893 139 H ASN 17 HN ASN 17 7.819 6.814 -2.779 140 HA ASN 17 HA ASN 17 5.669 8.655 -3.406 141 1HB ASN 17 2HB ASN 17 5.546 6.639 -1.680 142 2HB ASN 17 3HB ASN 17 6.419 7.717 -0.609 143 1HD2 ASN 17 2HD2 ASN 17 3.225 8.679 0.489 144 2HD2 ASN 17 1HD2 ASN 17 4.634 7.716 0.786 145 H CYS 18 HN CYS 18 8.457 8.248 -1.081 146 HA CYS 18 HA CYS 18 8.572 11.134 -0.796 147 1HB CYS 18 2HB CYS 18 10.188 10.645 1.033 148 2HB CYS 18 3HB CYS 18 8.612 9.921 1.282 149 H GLY 19 HN GLY 19 10.452 8.260 -1.897 150 1HA GLY 19 1HA GLY 19 11.842 8.404 -3.804 151 2HA GLY 19 2HA GLY 19 12.191 10.079 -3.427 152 H LYS 20 HN LYS 20 12.098 7.590 -0.877 153 HA LYS 20 HA LYS 20 15.010 7.885 -0.645 154 1HB LYS 20 2HB LYS 20 12.861 8.209 1.261 155 2HB LYS 20 3HB LYS 20 13.930 6.922 1.784 156 1HG LYS 20 2HG LYS 20 15.864 8.616 1.143 157 2HG LYS 20 3HG LYS 20 14.602 9.828 1.235 158 1HD LYS 20 2HD LYS 20 14.117 8.471 3.569 159 2HD LYS 20 3HD LYS 20 15.843 8.206 3.423 160 1HE LYS 20 2HE LYS 20 16.345 10.527 3.509 161 2HE LYS 20 3HE LYS 20 14.727 10.997 3.026 162 1HZ LYS 20 1HZ LYS 20 15.656 10.761 5.619 163 2HZ LYS 20 2HZ LYS 20 14.112 11.029 5.174 164 H GLU 21 HN GLU 21 16.298 6.040 -0.419 165 HA GLU 21 HA GLU 21 15.021 3.665 -1.383 166 1HB GLU 21 2HB GLU 21 17.844 4.632 -1.038 167 2HB GLU 21 3HB GLU 21 17.593 2.898 -1.055 168 1HG GLU 21 2HG GLU 21 17.108 2.865 -3.291 169 2HG GLU 21 3HG GLU 21 16.071 4.274 -3.182 170 HE2 GLU 21 HE2 GLU 21 16.807 5.964 -4.005 171 H GLY 22 HN GLY 22 14.865 1.661 -0.270 172 1HA GLY 22 1HA GLY 22 15.749 0.427 1.710 173 2HA GLY 22 2HA GLY 22 15.355 1.857 2.641 174 H HIS 23 HN HIS 23 12.903 2.346 0.825 175 HA HIS 23 HA HIS 23 11.255 0.068 1.445 176 1HB HIS 23 2HB HIS 23 9.771 1.108 2.925 177 2HB HIS 23 3HB HIS 23 11.365 1.502 3.536 178 HD1 HIS 23 HD1 HIS 23 12.102 3.987 3.497 179 HD2 HIS 23 HD2 HIS 23 8.314 3.306 1.827 180 HE1 HIS 23 HE1 HIS 23 11.024 6.282 3.211 181 H ILE 24 HN ILE 24 9.069 0.278 0.435 182 HA ILE 24 HA ILE 24 9.244 2.087 -1.869 183 HB ILE 24 HB ILE 24 8.000 0.509 -3.111 184 1HG1 ILE 24 2HG1 ILE 24 7.684 -1.181 -0.614 185 2HG1 ILE 24 3HG1 ILE 24 6.442 -0.116 -1.244 186 1HG2 ILE 24 2HG2 ILE 24 10.530 0.031 -2.209 187 2HG2 ILE 24 3HG2 ILE 24 9.710 -1.491 -1.788 188 3HG2 ILE 24 1HG2 ILE 24 9.698 -0.910 -3.470 189 1HD1 ILE 24 1HD1 ILE 24 7.741 -2.306 -2.922 190 2HD1 ILE 24 2HD1 ILE 24 6.252 -2.550 -1.979 191 3HD1 ILE 24 3HD1 ILE 24 6.278 -1.368 -3.309 192 H ALA 25 HN ALA 25 7.125 2.951 -2.674 193 HA ALA 25 HA ALA 25 5.835 4.398 -0.756 194 1HB ALA 25 3HB ALA 25 5.150 3.491 -3.549 195 2HB ALA 25 1HB ALA 25 3.954 4.407 -2.601 196 3HB ALA 25 2HB ALA 25 5.546 5.121 -2.954 197 H LYS 26 HN LYS 26 5.165 1.078 -1.928 198 HA LYS 26 HA LYS 26 2.652 0.789 -0.766 199 1HB LYS 26 2HB LYS 26 4.746 -1.355 -1.230 200 2HB LYS 26 3HB LYS 26 3.020 -1.597 -1.049 201 1HG LYS 26 2HG LYS 26 3.858 0.359 -3.163 202 2HG LYS 26 3HG LYS 26 4.253 -1.320 -3.471 203 1HD LYS 26 2HD LYS 26 1.548 -1.214 -2.456 204 2HD LYS 26 3HD LYS 26 1.696 -0.018 -3.728 205 1HE LYS 26 2HE LYS 26 2.572 -1.721 -5.290 206 2HE LYS 26 3HE LYS 26 2.584 -2.927 -4.019 207 1HZ LYS 26 1HZ LYS 26 0.140 -1.572 -5.031 208 2HZ LYS 26 2HZ LYS 26 0.578 -3.098 -5.390 209 H ASN 27 HN ASN 27 5.977 0.221 0.526 210 HA ASN 27 HA ASN 27 4.779 -0.381 3.085 211 1HB ASN 27 2HB ASN 27 7.640 -0.527 2.013 212 2HB ASN 27 3HB ASN 27 7.270 -0.791 3.705 213 1HD2 ASN 27 2HD2 ASN 27 5.906 -3.450 0.821 214 2HD2 ASN 27 1HD2 ASN 27 6.172 -1.776 0.465 215 H CYS 28 HN CYS 28 5.120 2.370 1.537 216 HA CYS 28 HA CYS 28 6.900 3.804 3.273 217 1HB CYS 28 2HB CYS 28 6.772 4.412 0.907 218 2HB CYS 28 3HB CYS 28 5.062 4.760 1.054 219 H ARG 29 HN ARG 29 6.212 5.403 4.832 220 HA ARG 29 HA ARG 29 3.663 4.766 5.945 221 1HB ARG 29 2HB ARG 29 6.126 6.245 6.805 222 2HB ARG 29 3HB ARG 29 4.628 6.798 7.526 223 1HG ARG 29 2HG ARG 29 4.175 4.683 8.527 224 2HG ARG 29 3HG ARG 29 5.272 3.833 7.456 225 1HD ARG 29 2HD ARG 29 7.149 4.392 8.698 226 2HD ARG 29 3HD ARG 29 6.524 5.967 9.144 227 HE ARG 29 HE ARG 29 4.969 3.860 10.384 228 1HH1 ARG 29 2HH2 ARG 29 8.035 5.612 10.663 229 2HH1 ARG 29 1HH2 ARG 29 8.186 5.329 12.365 230 HH2 ARG 29 HH1 ARG 29 6.487 4.076 13.501 231 H ALA 30 HN ALA 30 5.303 7.468 4.251 232 HA ALA 30 HA ALA 30 3.505 9.499 4.759 233 1HB ALA 30 3HB ALA 30 5.485 8.813 2.617 234 2HB ALA 30 1HB ALA 30 4.328 10.125 2.285 235 3HB ALA 30 2HB ALA 30 5.411 10.230 3.693 236 HA PRO 31 HA PRO 31 -0.029 8.428 2.510 237 1HB PRO 31 2HB PRO 31 -1.086 10.873 1.896 238 2HB PRO 31 3HB PRO 31 -1.256 10.123 3.471 239 1HG PRO 31 2HG PRO 31 0.497 12.362 2.664 240 2HG PRO 31 3HG PRO 31 -0.002 11.884 4.274 241 1HD PRO 31 2HD PRO 31 2.550 11.405 3.057 242 2HD PRO 31 3HD PRO 31 2.010 10.828 4.621 243 H ARG 32 HN ARG 32 -1.092 8.191 0.470 244 HA ARG 32 HA ARG 32 0.713 7.978 -1.553 245 1HB ARG 32 2HB ARG 32 -2.293 8.460 -1.866 246 2HB ARG 32 3HB ARG 32 -1.252 7.669 -3.033 247 1HG ARG 32 2HG ARG 32 -1.053 6.447 -0.353 248 2HG ARG 32 3HG ARG 32 -2.689 6.406 -0.980 249 1HD ARG 32 2HD ARG 32 -1.812 4.429 -1.889 250 2HD ARG 32 3HD ARG 32 -1.546 5.550 -3.210 251 HE ARG 32 HE ARG 32 0.739 5.215 -2.930 252 1HH1 ARG 32 2HH2 ARG 32 -0.844 4.601 0.181 253 2HH1 ARG 32 1HH2 ARG 32 0.624 4.146 0.980 254 HH2 ARG 32 HH1 ARG 32 2.682 4.162 -0.250 255 H LYS 33 HN LYS 33 1.929 9.703 -2.318 256 HA LYS 33 HA LYS 33 0.407 12.016 -3.272 257 1HB LYS 33 2HB LYS 33 2.121 12.038 -1.030 258 2HB LYS 33 3HB LYS 33 3.026 12.798 -2.323 259 1HG LYS 33 2HG LYS 33 1.843 14.683 -1.833 260 2HG LYS 33 3HG LYS 33 0.506 13.919 -2.669 261 1HD LYS 33 2HD LYS 33 -0.629 13.452 -0.721 262 2HD LYS 33 3HD LYS 33 0.831 13.049 0.161 263 1HE LYS 33 2HE LYS 33 0.944 15.863 -0.453 264 2HE LYS 33 3HE LYS 33 -0.653 15.530 0.188 265 1HZ LYS 33 1HZ LYS 33 1.612 14.334 1.602 266 2HZ LYS 33 2HZ LYS 33 1.403 15.939 1.778 267 H LYS 34 HN LYS 34 2.300 13.439 -4.566 268 HA LYS 34 HA LYS 34 3.939 11.600 -6.093 269 1HB LYS 34 2HB LYS 34 3.003 12.289 -8.242 270 2HB LYS 34 3HB LYS 34 1.803 11.476 -7.258 271 1HG LYS 34 2HG LYS 34 0.958 13.751 -6.506 272 2HG LYS 34 3HG LYS 34 2.081 14.494 -7.626 273 1HD LYS 34 2HD LYS 34 0.465 14.312 -9.212 274 2HD LYS 34 3HD LYS 34 0.775 12.588 -9.216 275 1HE LYS 34 2HE LYS 34 -1.103 13.797 -7.157 276 2HE LYS 34 3HE LYS 34 -1.677 13.447 -8.775 277 1HZ LYS 34 1HZ LYS 34 -1.468 11.632 -6.728 278 2HZ LYS 34 2HZ LYS 34 -1.728 11.260 -8.292 279 H GLY 35 HN GLY 35 4.994 13.269 -4.295 280 1HA GLY 35 1HA GLY 35 5.534 15.852 -5.540 281 2HA GLY 35 2HA GLY 35 6.015 15.311 -3.944 282 H CYS 36 HN CYS 36 7.221 16.131 -6.924 283 HA CYS 36 HA CYS 36 8.995 14.116 -7.558 284 1HB CYS 36 2HB CYS 36 8.615 15.865 -9.132 285 2HB CYS 36 3HB CYS 36 9.101 17.109 -7.997 286 H TRP 37 HN TRP 37 10.679 13.279 -6.375 287 HA TRP 37 HA TRP 37 11.560 14.707 -4.029 288 1HB TRP 37 2HB TRP 37 13.045 12.306 -4.618 289 2HB TRP 37 3HB TRP 37 12.035 12.697 -3.240 290 HD1 TRP 37 HD1 TRP 37 9.265 12.182 -3.661 291 HE1 TRP 37 HE1 TRP 37 8.043 10.234 -4.954 292 HE3 TRP 37 HE3 TRP 37 13.273 10.837 -6.486 293 HZ2 TRP 37 HZ2 TRP 37 8.871 8.390 -6.969 294 HZ3 TRP 37 HZ3 TRP 37 12.981 8.952 -8.091 295 HH2 TRP 37 HH2 TRP 37 10.874 7.742 -8.357 296 H LYS 38 HN LYS 38 12.051 16.072 -6.524 297 HA LYS 38 HA LYS 38 14.979 15.995 -6.492 298 1HB LYS 38 2HB LYS 38 13.483 15.024 -8.606 299 2HB LYS 38 3HB LYS 38 13.815 16.671 -9.102 300 1HG LYS 38 2HG LYS 38 16.070 15.017 -7.949 301 2HG LYS 38 3HG LYS 38 15.564 14.717 -9.600 302 1HD LYS 38 2HD LYS 38 15.747 17.567 -9.295 303 2HD LYS 38 3HD LYS 38 17.190 16.888 -8.570 304 1HE LYS 38 2HE LYS 38 17.048 15.379 -10.867 305 2HE LYS 38 3HE LYS 38 16.313 16.867 -11.429 306 1HZ LYS 38 1HZ LYS 38 18.289 18.067 -10.594 307 2HZ LYS 38 2HZ LYS 38 18.976 16.668 -10.123 308 H CYS 39 HN CYS 39 11.980 17.800 -7.424 309 HA CYS 39 HA CYS 39 13.466 20.251 -6.827 310 1HB CYS 39 2HB CYS 39 11.669 21.394 -8.167 311 2HB CYS 39 3HB CYS 39 12.710 20.326 -9.085 312 H GLY 40 HN GLY 40 10.644 18.184 -6.152 313 1HA GLY 40 1HA GLY 40 9.593 18.116 -4.076 314 2HA GLY 40 2HA GLY 40 10.116 19.753 -3.736 315 H LYS 41 HN LYS 41 8.810 19.041 -6.942 316 HA LYS 41 HA LYS 41 6.510 20.705 -6.276 317 1HB LYS 41 2HB LYS 41 8.284 20.691 -8.419 318 2HB LYS 41 3HB LYS 41 6.846 19.938 -9.079 319 1HG LYS 41 2HG LYS 41 5.812 22.068 -7.573 320 2HG LYS 41 3HG LYS 41 7.282 22.740 -8.252 321 1HD LYS 41 2HD LYS 41 6.560 22.019 -10.535 322 2HD LYS 41 3HD LYS 41 5.095 21.334 -9.860 323 1HE LYS 41 2HE LYS 41 4.836 23.815 -8.833 324 2HE LYS 41 3HE LYS 41 5.859 24.232 -10.192 325 1HZ LYS 41 1HZ LYS 41 3.399 22.614 -10.534 326 2HZ LYS 41 2HZ LYS 41 3.386 24.239 -10.640 327 H GLU 42 HN GLU 42 4.561 19.815 -5.873 328 HA GLU 42 HA GLU 42 4.282 17.004 -6.275 329 1HB GLU 42 2HB GLU 42 2.062 17.356 -5.148 330 2HB GLU 42 3HB GLU 42 3.420 17.956 -4.217 331 1HG GLU 42 2HG GLU 42 2.655 20.099 -4.300 332 2HG GLU 42 3HG GLU 42 2.417 20.027 -6.034 333 HE2 GLU 42 HE2 GLU 42 -0.086 21.126 -4.981 334 H GLY 43 HN GLY 43 3.543 16.093 -8.138 335 1HA GLY 43 1HA GLY 43 1.327 16.324 -9.480 336 2HA GLY 43 2HA GLY 43 2.088 17.803 -10.031 337 H HIS 44 HN HIS 44 4.769 17.154 -10.321 338 HA HIS 44 HA HIS 44 4.595 15.165 -12.447 339 1HB HIS 44 2HB HIS 44 6.394 16.262 -13.499 340 2HB HIS 44 3HB HIS 44 5.315 17.528 -12.948 341 HD1 HIS 44 HD1 HIS 44 6.242 19.254 -11.313 342 HD2 HIS 44 HD2 HIS 44 8.832 16.014 -11.935 343 HE1 HIS 44 HE1 HIS 44 8.452 19.882 -10.203 344 H GLN 45 HN GLN 45 6.945 14.077 -12.792 345 HA GLN 45 HA GLN 45 7.804 13.219 -10.140 346 1HB GLN 45 2HB GLN 45 8.032 10.929 -10.965 347 2HB GLN 45 3HB GLN 45 6.392 11.482 -11.242 348 1HG GLN 45 2HG GLN 45 7.767 12.266 -13.575 349 2HG GLN 45 3HG GLN 45 8.450 10.696 -13.196 350 1HE2 GLN 45 2HE2 GLN 45 5.749 8.852 -14.298 351 2HE2 GLN 45 1HE2 GLN 45 7.405 8.955 -13.805 352 H MET 46 HN MET 46 10.075 12.217 -10.175 353 HA MET 46 HA MET 46 11.855 14.005 -11.175 354 1HB MET 46 2HB MET 46 12.224 12.207 -9.398 355 2HB MET 46 3HB MET 46 12.321 11.012 -10.675 356 1HG MET 46 2HG MET 46 14.180 12.694 -11.649 357 2HG MET 46 3HG MET 46 14.276 13.206 -9.976 358 1HE MET 46 1HE MET 46 14.122 11.633 -8.126 359 2HE MET 46 2HE MET 46 14.865 10.018 -8.045 360 3HE MET 46 3HE MET 46 15.894 11.469 -8.107 361 H LYS 47 HN LYS 47 10.759 10.875 -12.617 362 HA LYS 47 HA LYS 47 12.524 10.807 -14.741 363 1HB LYS 47 2HB LYS 47 11.204 8.893 -14.164 364 2HB LYS 47 3HB LYS 47 9.703 9.759 -14.420 365 1HG LYS 47 2HG LYS 47 10.856 10.126 -16.873 366 2HG LYS 47 3HG LYS 47 11.597 8.600 -16.433 367 1HD LYS 47 2HD LYS 47 9.618 7.891 -17.489 368 2HD LYS 47 3HD LYS 47 9.161 7.845 -15.798 369 1HE LYS 47 2HE LYS 47 7.696 9.614 -15.998 370 2HE LYS 47 3HE LYS 47 8.732 10.486 -17.112 371 1HZ LYS 47 1HZ LYS 47 6.542 8.812 -17.735 372 2HZ LYS 47 2HZ LYS 47 7.414 9.739 -18.751 373 H ASP 48 HN ASP 48 9.557 12.713 -14.215 374 HA ASP 48 HA ASP 48 10.002 13.861 -16.858 375 1HB ASP 48 2HB ASP 48 7.651 12.803 -15.693 376 2HB ASP 48 3HB ASP 48 7.443 14.539 -15.573 377 HD2 ASP 48 HD2 ASP 48 6.270 13.036 -18.779 378 H CYS 49 HN CYS 49 11.476 14.571 -14.406 379 HA CYS 49 HA CYS 49 10.387 16.669 -12.999 380 1HB CYS 49 2HB CYS 49 12.477 15.453 -12.406 381 2HB CYS 49 3HB CYS 49 13.310 16.267 -13.715 382 H THR 50 HN THR 50 9.541 18.539 -13.855 383 HA THR 50 HA THR 50 10.524 19.487 -16.413 384 HB THR 50 HB THR 50 8.078 19.337 -15.908 385 HG1 THR 50 HG1 THR 50 9.128 21.090 -17.242 386 1HG2 THR 50 3HG2 THR 50 8.928 21.118 -13.613 387 2HG2 THR 50 1HG2 THR 50 7.361 21.434 -14.395 388 3HG2 THR 50 2HG2 THR 50 7.679 19.851 -13.645 389 H GLU 51 HN GLU 51 11.798 19.656 -13.427 390 HA GLU 51 HA GLU 51 12.298 22.501 -13.515 391 1HB GLU 51 2HB GLU 51 11.844 20.839 -11.403 392 2HB GLU 51 3HB GLU 51 13.595 20.777 -11.440 393 1HG GLU 51 2HG GLU 51 12.993 22.612 -9.988 394 2HG GLU 51 3HG GLU 51 13.626 23.319 -11.461 395 HE1 GLU 51 HE2 GLU 51 10.357 22.078 -10.796 396 H ARG 52 HN ARG 52 14.344 19.538 -12.951 397 HA ARG 52 HA ARG 52 16.264 18.940 -13.753 398 1HB ARG 52 2HB ARG 52 15.210 20.552 -15.911 399 2HB ARG 52 3HB ARG 52 16.924 20.892 -15.783 400 1HG ARG 52 2HG ARG 52 16.398 18.015 -15.513 401 2HG ARG 52 3HG ARG 52 15.730 18.638 -17.008 402 1HD ARG 52 2HD ARG 52 18.084 19.843 -17.251 403 2HD ARG 52 3HD ARG 52 18.618 18.654 -16.081 404 HE ARG 52 HE ARG 52 18.337 16.941 -17.687 405 1HH1 ARG 52 2HH2 ARG 52 16.983 19.980 -18.903 406 2HH1 ARG 52 1HH2 ARG 52 16.799 19.394 -20.523 407 HH2 ARG 52 HH1 ARG 52 17.459 17.148 -21.040 408 H GLN 53 HN GLN 53 17.148 19.716 -11.677 409 HA GLN 53 HA GLN 53 19.231 21.569 -12.090 410 1HB GLN 53 2HB GLN 53 16.725 22.609 -11.073 411 2HB GLN 53 3HB GLN 53 17.932 22.711 -9.807 412 1HG GLN 53 2HG GLN 53 19.416 24.028 -11.171 413 2HG GLN 53 3HG GLN 53 18.543 23.640 -12.640 414 1HE2 GLN 53 2HE2 GLN 53 17.605 27.074 -11.772 415 2HE2 GLN 53 1HE2 GLN 53 19.002 26.183 -12.274 416 H ALA 54 HN ALA 54 20.501 21.885 -9.926 417 HA ALA 54 HA ALA 54 20.468 19.298 -8.588 418 1HB ALA 54 3HB ALA 54 22.557 20.216 -9.632 419 2HB ALA 54 1HB ALA 54 22.499 21.562 -8.470 420 3HB ALA 54 2HB ALA 54 22.719 19.894 -7.890 421 H ASN 55 HN ASN 55 21.245 19.554 -6.120 422 HA ASN 55 HA ASN 55 20.705 20.119 -4.098 423 1HB ASN 55 2HB ASN 55 20.076 22.827 -5.378 424 2HB ASN 55 3HB ASN 55 20.013 22.566 -3.647 425 1HD2 ASN 55 2HD2 ASN 55 23.366 23.237 -3.210 426 2HD2 ASN 55 1HD2 ASN 55 21.722 23.310 -2.670 427 1H5* G 201 1H5* G 201 1.131 -23.628 -2.993 428 2H5* G 201 2H5* G 201 1.874 -22.071 -2.624 429 H4* G 201 H4* G 201 2.936 -24.253 -1.715 430 H3* G 201 H3* G 201 4.755 -22.265 -3.129 431 1H2* G 201 1H2* G 201 6.402 -23.286 -1.849 432 2HO* G 201 2HO* G 201 4.162 -23.957 -0.167 433 H1* G 201 H1* G 201 5.163 -25.818 -1.623 434 H8 G 201 H8 G 201 5.733 -23.602 -4.715 435 H1 G 201 H1 G 201 9.291 -28.999 -4.435 436 1H2 G 201 1H2 G 201 8.853 -30.024 -2.699 437 2H2 G 201 2H2 G 201 7.693 -29.499 -1.500 438 1H5* G 202 1H5* G 202 4.522 -21.496 0.822 439 2H5* G 202 2H5* G 202 4.944 -20.000 1.655 440 H4* G 202 H4* G 202 6.483 -21.666 2.351 441 H3* G 202 H3* G 202 7.678 -19.661 0.447 442 1H2* G 202 1H2* G 202 9.744 -20.714 0.597 443 2HO* G 202 2HO* G 202 10.219 -21.163 2.665 444 H1* G 202 H1* G 202 8.742 -23.356 0.896 445 H8 G 202 H8 G 202 7.464 -20.948 -1.780 446 H1 G 202 H1 G 202 11.950 -25.164 -3.778 447 1H2 G 202 1H2 G 202 12.636 -26.254 -2.168 448 2H2 G 202 2H2 G 202 12.080 -26.055 -0.521 449 1H5* A 203 1H5* A 203 11.015 -19.012 3.766 450 2H5* A 203 2H5* A 203 11.123 -17.312 3.309 451 H4* A 203 H4* A 203 13.173 -18.816 2.953 452 H3* A 203 H3* A 203 12.079 -16.878 0.933 453 1H2* A 203 1H2* A 203 13.718 -17.477 -0.609 454 2HO* A 203 2HO* A 203 15.297 -19.040 1.008 455 H1* A 203 H1* A 203 13.813 -20.231 0.203 456 H8 A 203 H8 A 203 10.548 -18.477 -0.672 457 1H6 A 203 1H6 A 203 11.166 -21.111 -6.297 458 2H6 A 203 2H6 A 203 10.104 -20.152 -5.289 459 H2 A 203 H2 A 203 14.821 -22.004 -3.934 460 1H5* C 204 1H5* C 204 16.115 -15.724 1.467 461 2H5* C 204 2H5* C 204 16.445 -14.119 0.815 462 H4* C 204 H4* C 204 17.188 -16.312 -0.447 463 H3* C 204 H3* C 204 16.108 -13.792 -1.729 464 1H2* C 204 1H2* C 204 16.184 -14.874 -3.729 465 2HO* C 204 2HO* C 204 18.501 -14.601 -3.390 466 H1* C 204 H1* C 204 16.807 -17.555 -2.782 467 1H4 C 204 1H4 C 204 11.299 -18.323 -5.893 468 2H4 C 204 2H4 C 204 10.467 -17.390 -4.670 469 H5 C 204 H5 C 204 11.553 -16.321 -2.864 470 H6 C 204 H6 C 204 13.726 -15.880 -1.779 471 1H5* U 205 1H5* U 205 20.292 -12.910 -3.172 472 2H5* U 205 2H5* U 205 19.964 -11.343 -3.911 473 H4* U 205 H4* U 205 19.995 -13.777 -5.197 474 H3* U 205 H3* U 205 18.778 -11.123 -5.990 475 1H2* U 205 1H2* U 205 17.759 -12.185 -7.728 476 2HO* U 205 2HO* U 205 19.225 -13.750 -8.873 477 H1* U 205 H1* U 205 18.387 -14.931 -6.895 478 H3 U 205 H3 U 205 14.117 -15.443 -8.311 479 H5 U 205 H5 U 205 13.761 -12.985 -4.939 480 H6 U 205 H6 U 205 16.211 -12.866 -4.889 481 1H5* A 206 1H5* A 206 21.483 -11.057 -9.130 482 2H5* A 206 2H5* A 206 21.723 -9.370 -9.583 483 H4* A 206 H4* A 206 20.208 -10.704 -11.081 484 H3* A 206 H3* A 206 18.902 -8.279 -9.786 485 1H2* A 206 1H2* A 206 17.402 -8.468 -11.531 486 2HO* A 206 2HO* A 206 19.761 -9.533 -12.761 487 H1* A 206 H1* A 206 17.802 -11.249 -12.049 488 H8 A 206 H8 A 206 17.087 -9.902 -8.554 489 1H6 A 206 1H6 A 206 11.173 -11.590 -9.614 490 2H6 A 206 2H6 A 206 12.271 -10.949 -8.412 491 H2 A 206 H2 A 206 13.503 -12.273 -13.336 492 1H5* G 207 1H5* G 207 19.993 -7.239 -13.363 493 2H5* G 207 2H5* G 207 19.905 -5.585 -13.967 494 H4* G 207 H4* G 207 17.986 -6.718 -14.763 495 H3* G 207 H3* G 207 17.000 -5.163 -12.341 496 1H2* G 207 1H2* G 207 14.979 -5.154 -13.565 497 2HO* G 207 2HO* G 207 16.091 -6.247 -15.884 498 H1* G 207 H1* G 207 15.319 -7.765 -14.556 499 H8 G 207 H8 G 207 16.165 -6.820 -10.947 500 H1 G 207 H1 G 207 10.376 -9.584 -11.801 501 1H2 G 207 1H2 G 207 10.042 -9.875 -13.815 502 2H2 G 207 2H2 G 207 11.164 -9.435 -15.084 503 1H5* C 208 1H5* C 208 17.471 -2.310 -15.600 504 2H5* C 208 2H5* C 208 17.298 -0.576 -15.329 505 H4* C 208 H4* C 208 15.404 -1.674 -16.550 506 H3* C 208 H3* C 208 14.886 -0.134 -14.002 507 1H2* C 208 1H2* C 208 12.654 -0.609 -14.196 508 2HO* C 208 2HO* C 208 12.794 0.603 -16.207 509 H1* C 208 H1* C 208 12.755 -2.879 -15.896 510 1H4 C 208 1H4 C 208 11.403 -5.461 -10.238 511 2H4 C 208 2H4 C 208 12.974 -4.995 -9.626 512 H5 C 208 H5 C 208 14.548 -3.739 -10.859 513 H6 C 208 H6 C 208 15.006 -2.608 -13.007 514 1H5* G 209 1H5* G 209 13.567 3.090 -12.746 515 2H5* G 209 2H5* G 209 14.015 1.429 -13.132 516 H4* G 209 H4* G 209 11.921 1.743 -14.813 517 H3* G 209 H3* G 209 11.553 3.842 -12.756 518 1H2* G 209 1H2* G 209 9.877 2.676 -11.735 519 2HO* G 209 2HO* G 209 8.264 2.231 -13.823 520 H1* G 209 H1* G 209 9.351 0.470 -13.471 521 H8 G 209 H8 G 209 12.709 0.923 -11.721 522 H1 G 209 H1 G 209 8.554 -3.018 -8.707 523 1H2 G 209 1H2 G 209 6.741 -2.986 -9.687 524 2H2 G 209 2H2 G 209 6.396 -2.034 -11.112 525 1H5* G 210 1H5* G 210 10.351 6.640 -12.102 526 2H5* G 210 2H5* G 210 10.259 4.974 -11.531 527 H4* G 210 H4* G 210 8.330 5.319 -10.454 528 H3* G 210 H3* G 210 7.417 6.533 -12.989 529 1H2* G 210 1H2* G 210 6.792 8.439 -11.849 530 2HO* G 210 2HO* G 210 4.697 7.933 -10.931 531 H1* G 210 H1* G 210 6.524 7.543 -9.118 532 H8 G 210 H8 G 210 9.654 8.272 -11.226 533 H1 G 210 H1 G 210 8.358 12.559 -6.554 534 1H2 G 210 1H2 G 210 6.615 12.023 -5.590 535 2H2 G 210 2H2 G 210 5.649 10.619 -5.989 536 1H5* A 211 1H5* A 211 7.777 3.462 -11.179 537 2H5* A 211 2H5* A 211 7.739 1.721 -11.448 538 H4* A 211 H4* A 211 6.573 1.839 -9.496 539 H3* A 211 H3* A 211 4.659 1.879 -11.754 540 1H2* A 211 1H2* A 211 3.540 3.504 -10.422 541 2HO* A 211 2HO* A 211 1.887 2.124 -9.616 542 H1* A 211 H1* A 211 4.307 1.909 -7.938 543 H8 A 211 H8 A 211 4.816 5.524 -9.114 544 1H6 A 211 1H6 A 211 1.670 7.114 -3.963 545 2H6 A 211 2H6 A 211 2.525 7.744 -5.353 546 H2 A 211 H2 A 211 1.791 2.678 -4.205 547 1H5* G 212 1H5* G 212 4.025 -3.246 -10.883 548 2H5* G 212 2H5* G 212 2.629 -3.475 -9.830 549 H4* G 212 H4* G 212 4.949 -4.185 -8.982 550 H3* G 212 H3* G 212 3.007 -2.534 -7.359 551 1H2* G 212 1H2* G 212 4.456 -2.687 -5.534 552 2HO* G 212 2HO* G 212 5.435 -4.629 -5.327 553 H1* G 212 H1* G 212 6.795 -2.662 -7.278 554 H8 G 212 H8 G 212 3.949 -0.223 -6.414 555 H1 G 212 H1 G 212 9.914 1.762 -4.879 556 1H2 G 212 1H2 G 212 11.283 0.325 -5.437 557 2H2 G 212 2H2 G 212 10.876 -1.193 -6.206 558 1H5* G 213 1H5* G 213 3.214 -7.011 -8.851 559 2H5* G 213 2H5* G 213 3.495 -5.388 -9.482 560 H4* G 213 H4* G 213 1.444 -6.799 -10.994 561 H3* G 213 H3* G 213 3.708 -8.435 -10.285 562 1H2* G 213 1H2* G 213 4.913 -8.437 -12.248 563 2HO* G 213 2HO* G 213 3.622 -8.071 -14.239 564 H1* G 213 H1* G 213 4.314 -5.908 -13.241 565 H8 G 213 H8 G 213 5.072 -6.767 -9.572 566 H1 G 213 H1 G 213 9.812 -3.750 -12.785 567 1H2 G 213 1H2 G 213 9.229 -3.436 -14.738 568 2H2 G 213 2H2 G 213 7.686 -3.920 -15.406 569 1H5* C 214 1H5* C 214 1.924 -10.099 -13.454 570 2H5* C 214 2H5* C 214 1.688 -11.831 -13.684 571 H4* C 214 H4* C 214 3.195 -11.137 -15.357 572 H3* C 214 H3* C 214 4.651 -12.535 -13.105 573 1H2* C 214 1H2* C 214 6.599 -12.491 -14.416 574 2HO* C 214 2HO* C 214 4.733 -11.745 -16.479 575 H1* C 214 H1* C 214 6.325 -9.906 -15.354 576 1H4 C 214 1H4 C 214 9.581 -8.815 -10.005 577 2H4 C 214 2H4 C 214 8.283 -9.477 -9.037 578 H5 C 214 H5 C 214 6.304 -10.395 -9.942 579 H6 C 214 H6 C 214 5.071 -10.908 -12.019 580 1H5* U 215 1H5* U 215 5.207 -14.411 -16.288 581 2H5* U 215 2H5* U 215 5.524 -16.131 -16.519 582 H4* U 215 H4* U 215 7.530 -14.830 -16.906 583 H3* U 215 H3* U 215 7.742 -16.408 -14.313 584 1H2* U 215 1H2* U 215 9.992 -15.952 -14.456 585 2HO* U 215 2HO* U 215 10.743 -15.663 -16.825 586 H1* U 215 H1* U 215 9.981 -13.634 -16.002 587 H3 U 215 H3 U 215 11.151 -11.663 -12.154 588 H5 U 215 H5 U 215 7.353 -13.195 -11.276 589 H6 U 215 H6 U 215 7.358 -14.213 -13.507 590 1H5* A 216 1H5* A 216 9.581 -18.210 -17.249 591 2H5* A 216 2H5* A 216 10.025 -19.907 -17.426 592 H4* A 216 H4* A 216 11.997 -18.547 -17.095 593 H3* A 216 H3* A 216 11.289 -20.529 -14.970 594 1H2* A 216 1H2* A 216 12.928 -19.770 -13.537 595 2HO* A 216 2HO* A 216 14.098 -18.742 -15.962 596 H1* A 216 H1* A 216 12.986 -17.073 -14.655 597 H8 A 216 H8 A 216 9.866 -18.526 -13.068 598 1H6 A 216 1H6 A 216 11.604 -15.513 -7.886 599 2H6 A 216 2H6 A 216 10.326 -16.457 -8.614 600 H2 A 216 H2 A 216 14.858 -15.112 -10.885 601 1H5* G 217 1H5* G 217 14.948 -21.032 -16.141 602 2H5* G 217 2H5* G 217 15.936 -22.490 -16.055 603 H4* G 217 H4* G 217 16.651 -21.197 -14.254 604 H3* G 217 H3* G 217 14.564 -23.065 -13.067 605 1H2* G 217 1H2* G 217 15.645 -22.591 -11.027 606 2HO* G 217 2HO* G 217 17.815 -21.386 -11.411 607 H1* G 217 H1* G 217 16.145 -19.871 -11.758 608 H8 G 217 H8 G 217 12.724 -21.506 -12.157 609 H1 G 217 H1 G 217 13.505 -18.067 -6.732 610 1H2 G 217 1H2 G 217 15.461 -17.426 -6.598 611 2H2 G 217 2H2 G 217 16.703 -17.769 -7.780 612 1H5* U 218 1H5* U 218 18.275 -24.115 -12.161 613 2H5* U 218 2H5* U 218 18.834 -25.786 -12.079 614 H4* U 218 H4* U 218 19.464 -24.937 -10.026 615 H3* U 218 H3* U 218 16.866 -26.405 -9.772 616 1H2* U 218 1H2* U 218 16.635 -25.808 -7.530 617 2HO* U 218 2HO* U 218 18.517 -25.883 -6.443 618 H1* U 218 H1* U 218 17.843 -23.207 -7.924 619 H3 U 218 H3 U 218 13.904 -21.963 -6.111 620 H5 U 218 H5 U 218 12.789 -23.670 -9.769 621 H6 U 218 H6 U 218 15.135 -24.323 -10.066 622 1H5* C 219 1H5* C 219 19.299 -27.737 -6.529 623 2H5* C 219 2H5* C 219 19.283 -29.499 -6.478 624 H4* C 219 H4* C 219 18.690 -28.802 -4.319 625 H3* C 219 H3* C 219 16.420 -29.849 -5.923 626 1H2* C 219 1H2* C 219 14.788 -29.178 -4.405 627 2HO* C 219 2HO* C 219 17.022 -28.761 -2.634 628 H1* C 219 H1* C 219 16.250 -26.778 -3.664 629 1H4 C 219 1H4 C 219 11.113 -24.487 -6.655 630 2H4 C 219 2H4 C 219 11.661 -25.185 -8.161 631 H5 C 219 H5 C 219 13.586 -26.538 -8.361 632 H6 C 219 H6 C 219 15.478 -27.565 -7.151 633 1H5* C 220 1H5* C 220 16.064 -32.626 -2.387 634 2H5* C 220 2H5* C 220 16.412 -34.196 -3.110 635 H4* C 220 H4* C 220 14.392 -34.538 -2.029 636 H3* C 220 H3* C 220 14.052 -34.151 -4.946 637 1H2* C 220 1H2* C 220 11.702 -34.015 -4.843 638 2HO* C 220 2HO* C 220 11.586 -35.716 -3.288 639 H1* C 220 H1* C 220 11.750 -32.320 -2.543 640 1H4 C 220 1H4 C 220 10.488 -28.172 -7.195 641 2H4 C 220 2H4 C 220 12.000 -28.555 -7.988 642 H5 C 220 H5 C 220 13.511 -30.197 -7.216 643 H6 C 220 H6 C 220 13.948 -31.895 -5.477 No H/Q in entry = 643 Start of MODEL 13 1 H MET 1 HN MET 1 -4.023 -10.216 0.837 2 HA MET 1 HA MET 1 -2.888 -10.958 -0.921 3 1HB MET 1 2HB MET 1 -2.644 -7.919 -0.896 4 2HB MET 1 3HB MET 1 -2.012 -8.826 -2.256 5 1HG MET 1 2HG MET 1 -4.826 -9.425 -1.331 6 2HG MET 1 3HG MET 1 -4.549 -7.945 -2.226 7 1HE MET 1 2HE MET 1 -6.329 -9.005 -3.404 8 2HE MET 1 3HE MET 1 -5.764 -9.076 -5.090 9 3HE MET 1 1HE MET 1 -6.287 -10.563 -4.264 10 H GLN 2 HN GLN 2 -1.038 -12.152 -0.990 11 HA GLN 2 HA GLN 2 1.121 -11.862 0.510 12 1HB GLN 2 2HB GLN 2 1.016 -12.837 -2.377 13 2HB GLN 2 3HB GLN 2 2.387 -13.099 -1.318 14 1HG GLN 2 2HG GLN 2 -0.361 -13.897 -0.342 15 2HG GLN 2 3HG GLN 2 0.436 -14.917 -1.523 16 1HE2 GLN 2 2HE2 GLN 2 1.715 -16.593 1.289 17 2HE2 GLN 2 1HE2 GLN 2 0.518 -16.567 0.036 18 H LYS 3 HN LYS 3 3.424 -11.173 0.003 19 HA LYS 3 HA LYS 3 3.620 -9.035 -1.942 20 1HB LYS 3 2HB LYS 3 2.798 -8.206 0.431 21 2HB LYS 3 3HB LYS 3 4.490 -8.377 0.852 22 1HG LYS 3 2HG LYS 3 5.048 -6.982 -1.228 23 2HG LYS 3 3HG LYS 3 3.331 -6.676 -1.402 24 1HD LYS 3 2HD LYS 3 4.562 -6.155 1.298 25 2HD LYS 3 3HD LYS 3 4.947 -5.033 0.008 26 1HE LYS 3 2HE LYS 3 2.658 -4.411 -0.303 27 2HE LYS 3 3HE LYS 3 2.062 -5.826 0.540 28 1HZ LYS 3 1HZ LYS 3 3.760 -4.000 2.071 29 2HZ LYS 3 2HZ LYS 3 2.249 -3.490 1.738 30 H GLY 4 HN GLY 4 4.714 -11.450 -2.343 31 1HA GLY 4 1HA GLY 4 7.166 -11.990 -1.107 32 2HA GLY 4 2HA GLY 4 6.650 -12.533 -2.691 33 H ASN 5 HN ASN 5 6.231 -9.743 -3.733 34 HA ASN 5 HA ASN 5 8.721 -9.393 -4.836 35 1HB ASN 5 2HB ASN 5 6.123 -7.985 -4.810 36 2HB ASN 5 3HB ASN 5 7.461 -6.862 -4.952 37 1HD2 ASN 5 2HD2 ASN 5 6.578 -7.707 -8.384 38 2HD2 ASN 5 1HD2 ASN 5 5.950 -6.838 -7.024 39 H PHE 6 HN PHE 6 7.508 -8.613 -1.696 40 HA PHE 6 HA PHE 6 8.691 -6.200 -1.108 41 1HB PHE 6 2HB PHE 6 7.136 -7.386 0.394 42 2HB PHE 6 3HB PHE 6 8.177 -8.795 0.448 43 HD1 PHE 6 HD1 PHE 6 10.519 -8.461 1.519 44 HD2 PHE 6 HD2 PHE 6 7.274 -5.783 2.075 45 HE1 PHE 6 HE1 PHE 6 11.602 -7.582 3.605 46 HE2 PHE 6 HE2 PHE 6 8.358 -4.904 4.161 47 HZ PHE 6 HZ PHE 6 10.509 -5.813 4.901 48 H ARG 7 HN ARG 7 10.139 -9.399 -1.564 49 HA ARG 7 HA ARG 7 12.404 -9.118 -0.087 50 1HB ARG 7 2HB ARG 7 13.427 -10.732 -1.735 51 2HB ARG 7 3HB ARG 7 11.828 -11.221 -1.209 52 1HG ARG 7 2HG ARG 7 10.971 -9.914 -3.325 53 2HG ARG 7 3HG ARG 7 12.636 -9.992 -3.867 54 1HD ARG 7 2HD ARG 7 12.400 -12.165 -4.493 55 2HD ARG 7 3HD ARG 7 11.825 -12.617 -2.901 56 HE ARG 7 HE ARG 7 9.645 -12.601 -3.731 57 1HH1 ARG 7 2HH2 ARG 7 11.663 -10.621 -5.868 58 2HH1 ARG 7 1HH2 ARG 7 10.398 -10.354 -7.021 59 HH2 ARG 7 HH1 ARG 7 8.239 -11.321 -6.639 60 H ASN 8 HN ASN 8 11.349 -7.247 -2.783 61 HA ASN 8 HA ASN 8 13.664 -6.735 -4.131 62 1HB ASN 8 2HB ASN 8 12.568 -4.542 -4.734 63 2HB ASN 8 3HB ASN 8 11.477 -5.903 -4.899 64 1HD2 ASN 8 2HD2 ASN 8 10.046 -2.901 -2.987 65 2HD2 ASN 8 1HD2 ASN 8 11.040 -3.013 -4.401 66 H GLN 9 HN GLN 9 12.749 -5.994 -0.860 67 HA GLN 9 HA GLN 9 14.014 -3.576 -0.473 68 1HB GLN 9 2HB GLN 9 13.572 -5.897 1.457 69 2HB GLN 9 3HB GLN 9 14.085 -4.296 1.953 70 1HG GLN 9 2HG GLN 9 11.712 -4.236 0.184 71 2HG GLN 9 3HG GLN 9 11.436 -5.148 1.654 72 1HE2 GLN 9 2HE2 GLN 9 11.684 -2.442 3.900 73 2HE2 GLN 9 1HE2 GLN 9 11.807 -4.158 3.694 74 H ARG 10 HN ARG 10 15.334 -6.636 -1.295 75 HA ARG 10 HA ARG 10 17.773 -6.282 0.118 76 1HB ARG 10 2HB ARG 10 18.479 -8.336 -1.014 77 2HB ARG 10 3HB ARG 10 16.821 -8.542 -0.484 78 1HG ARG 10 2HG ARG 10 16.099 -8.843 -2.614 79 2HG ARG 10 3HG ARG 10 16.846 -7.348 -3.141 80 1HD ARG 10 2HD ARG 10 18.380 -9.966 -2.773 81 2HD ARG 10 3HD ARG 10 17.726 -9.432 -4.308 82 HE ARG 10 HE ARG 10 19.294 -7.593 -4.332 83 1HH1 ARG 10 2HH2 ARG 10 19.718 -9.735 -1.542 84 2HH1 ARG 10 1HH2 ARG 10 21.312 -9.159 -1.184 85 HH2 ARG 10 HH1 ARG 10 22.279 -7.452 -2.561 86 H LYS 11 HN LYS 11 16.497 -4.500 -2.283 87 HA LYS 11 HA LYS 11 19.107 -4.100 -3.555 88 1HB LYS 11 2HB LYS 11 17.852 -5.342 -5.169 89 2HB LYS 11 3HB LYS 11 16.421 -4.360 -4.925 90 1HG LYS 11 2HG LYS 11 17.340 -2.492 -6.048 91 2HG LYS 11 3HG LYS 11 18.992 -3.013 -5.785 92 1HD LYS 11 2HD LYS 11 17.217 -4.806 -7.432 93 2HD LYS 11 3HD LYS 11 17.758 -3.310 -8.168 94 1HE LYS 11 2HE LYS 11 19.642 -4.478 -8.721 95 2HE LYS 11 3HE LYS 11 20.117 -4.229 -7.053 96 1HZ LYS 11 1HZ LYS 11 18.653 -6.385 -6.721 97 2HZ LYS 11 2HZ LYS 11 19.016 -6.646 -8.287 98 H THR 12 HN THR 12 18.056 -2.791 -1.228 99 HA THR 12 HA THR 12 17.264 -0.794 -0.483 100 HB THR 12 HB THR 12 19.813 -0.744 -1.206 101 HG1 THR 12 HG1 THR 12 19.626 1.652 -0.651 102 1HG2 THR 12 2HG2 THR 12 18.869 0.041 -3.643 103 2HG2 THR 12 3HG2 THR 12 18.943 1.627 -2.837 104 3HG2 THR 12 1HG2 THR 12 20.413 0.635 -2.985 105 H VAL 13 HN VAL 13 15.357 -1.689 -2.240 106 HA VAL 13 HA VAL 13 14.744 -0.289 -4.449 107 HB VAL 13 HB VAL 13 12.347 -0.553 -3.704 108 1HG1 VAL 13 1HG1 VAL 13 14.385 -2.620 -4.137 109 2HG1 VAL 13 2HG1 VAL 13 12.937 -3.221 -3.294 110 3HG1 VAL 13 3HG1 VAL 13 12.778 -2.420 -4.874 111 1HG2 VAL 13 1HG2 VAL 13 13.682 -1.728 -1.243 112 2HG2 VAL 13 2HG2 VAL 13 12.626 -0.297 -1.305 113 3HG2 VAL 13 3HG2 VAL 13 11.962 -1.910 -1.660 114 H LYS 14 HN LYS 14 13.441 1.634 -4.908 115 HA LYS 14 HA LYS 14 13.917 3.691 -2.872 116 1HB LYS 14 2HB LYS 14 14.314 5.214 -4.547 117 2HB LYS 14 3HB LYS 14 14.966 3.754 -5.263 118 1HG LYS 14 2HG LYS 14 13.617 4.256 -7.038 119 2HG LYS 14 3HG LYS 14 12.332 3.575 -6.061 120 1HD LYS 14 2HD LYS 14 11.590 5.756 -6.824 121 2HD LYS 14 3HD LYS 14 11.894 5.876 -5.102 122 1HE LYS 14 2HE LYS 14 14.361 6.451 -6.518 123 2HE LYS 14 3HE LYS 14 13.079 7.419 -7.216 124 1HZ LYS 14 1HZ LYS 14 14.380 7.967 -4.873 125 2HZ LYS 14 2HZ LYS 14 12.997 8.673 -5.361 126 H CYS 15 HN CYS 15 12.232 5.004 -2.151 127 HA CYS 15 HA CYS 15 9.636 3.862 -2.511 128 1HB CYS 15 2HB CYS 15 10.401 4.669 -0.305 129 2HB CYS 15 3HB CYS 15 10.506 6.303 -0.928 130 H PHE 16 HN PHE 16 8.439 4.358 -4.318 131 HA PHE 16 HA PHE 16 9.070 6.642 -5.888 132 1HB PHE 16 2HB PHE 16 7.042 4.371 -5.811 133 2HB PHE 16 3HB PHE 16 6.723 5.712 -6.893 134 HD1 PHE 16 HD1 PHE 16 9.345 6.381 -7.954 135 HD2 PHE 16 HD2 PHE 16 7.679 2.570 -7.110 136 HE1 PHE 16 HE1 PHE 16 10.843 5.343 -9.680 137 HE2 PHE 16 HE2 PHE 16 9.178 1.533 -8.835 138 HZ PHE 16 HZ PHE 16 10.741 2.932 -10.100 139 H ASN 17 HN ASN 17 7.696 6.601 -2.939 140 HA ASN 17 HA ASN 17 5.498 8.350 -3.650 141 1HB ASN 17 2HB ASN 17 5.401 6.367 -1.897 142 2HB ASN 17 3HB ASN 17 6.230 7.477 -0.824 143 1HD2 ASN 17 2HD2 ASN 17 3.093 8.537 0.254 144 2HD2 ASN 17 1HD2 ASN 17 4.574 7.706 0.598 145 H CYS 18 HN CYS 18 8.092 8.132 -1.083 146 HA CYS 18 HA CYS 18 8.118 11.006 -0.887 147 1HB CYS 18 2HB CYS 18 9.689 10.634 0.982 148 2HB CYS 18 3HB CYS 18 8.192 9.746 1.181 149 H GLY 19 HN GLY 19 10.173 8.244 -1.963 150 1HA GLY 19 1HA GLY 19 11.593 8.452 -3.833 151 2HA GLY 19 2HA GLY 19 11.816 10.155 -3.483 152 H LYS 20 HN LYS 20 11.876 7.629 -0.949 153 HA LYS 20 HA LYS 20 14.754 8.151 -0.669 154 1HB LYS 20 2HB LYS 20 12.576 8.397 1.209 155 2HB LYS 20 3HB LYS 20 13.702 7.179 1.773 156 1HG LYS 20 2HG LYS 20 15.390 8.701 2.122 157 2HG LYS 20 3HG LYS 20 15.016 9.608 0.669 158 1HD LYS 20 2HD LYS 20 13.062 10.656 1.809 159 2HD LYS 20 3HD LYS 20 13.393 9.725 3.256 160 1HE LYS 20 2HE LYS 20 15.846 11.036 2.517 161 2HE LYS 20 3HE LYS 20 14.571 12.236 2.421 162 1HZ LYS 20 1HZ LYS 20 14.808 10.469 4.783 163 2HZ LYS 20 2HZ LYS 20 15.647 11.862 4.691 164 H GLU 21 HN GLU 21 16.147 6.386 -0.324 165 HA GLU 21 HA GLU 21 15.034 3.920 -1.272 166 1HB GLU 21 2HB GLU 21 17.782 5.069 -0.909 167 2HB GLU 21 3HB GLU 21 17.646 3.323 -0.863 168 1HG GLU 21 2HG GLU 21 17.210 3.175 -3.103 169 2HG GLU 21 3HG GLU 21 16.081 4.514 -3.068 170 HE1 GLU 21 HE2 GLU 21 18.650 6.916 -3.411 171 H GLY 22 HN GLY 22 14.971 1.938 -0.114 172 1HA GLY 22 1HA GLY 22 15.888 0.807 1.915 173 2HA GLY 22 2HA GLY 22 15.384 2.232 2.802 174 H HIS 23 HN HIS 23 12.930 2.595 1.039 175 HA HIS 23 HA HIS 23 11.417 0.208 1.651 176 1HB HIS 23 2HB HIS 23 9.835 1.218 3.055 177 2HB HIS 23 3HB HIS 23 11.392 1.707 3.693 178 HD1 HIS 23 HD1 HIS 23 12.009 4.221 3.599 179 HD2 HIS 23 HD2 HIS 23 8.305 3.310 1.853 180 HE1 HIS 23 HE1 HIS 23 10.830 6.452 3.217 181 H ILE 24 HN ILE 24 9.236 0.260 0.600 182 HA ILE 24 HA ILE 24 9.359 1.984 -1.772 183 HB ILE 24 HB ILE 24 8.204 0.293 -2.962 184 1HG1 ILE 24 2HG1 ILE 24 7.968 -1.293 -0.388 185 2HG1 ILE 24 3HG1 ILE 24 6.668 -0.361 -1.103 186 1HG2 ILE 24 1HG2 ILE 24 10.755 -0.014 -1.981 187 2HG2 ILE 24 2HG2 ILE 24 10.001 -1.581 -1.602 188 3HG2 ILE 24 3HG2 ILE 24 10.012 -0.981 -3.278 189 1HD1 ILE 24 1HD1 ILE 24 8.145 -2.661 -2.467 190 2HD1 ILE 24 2HD1 ILE 24 6.513 -2.744 -1.762 191 3HD1 ILE 24 3HD1 ILE 24 6.815 -1.719 -3.184 192 H ALA 25 HN ALA 25 7.221 2.713 -2.642 193 HA ALA 25 HA ALA 25 5.821 4.164 -0.810 194 1HB ALA 25 3HB ALA 25 5.867 4.116 -3.446 195 2HB ALA 25 1HB ALA 25 4.448 3.058 -3.255 196 3HB ALA 25 2HB ALA 25 4.422 4.710 -2.593 197 H LYS 26 HN LYS 26 5.353 0.764 -1.836 198 HA LYS 26 HA LYS 26 2.835 0.392 -0.710 199 1HB LYS 26 2HB LYS 26 5.047 -1.659 -1.016 200 2HB LYS 26 3HB LYS 26 3.328 -1.975 -0.882 201 1HG LYS 26 2HG LYS 26 4.147 -0.080 -3.056 202 2HG LYS 26 3HG LYS 26 4.636 -1.749 -3.271 203 1HD LYS 26 2HD LYS 26 1.886 -1.707 -2.352 204 2HD LYS 26 3HD LYS 26 2.038 -0.599 -3.702 205 1HE LYS 26 2HE LYS 26 2.890 -2.323 -5.160 206 2HE LYS 26 3HE LYS 26 3.197 -3.413 -3.823 207 1HZ LYS 26 1HZ LYS 26 1.058 -3.746 -5.196 208 2HZ LYS 26 2HZ LYS 26 0.917 -3.836 -3.577 209 H ASN 27 HN ASN 27 6.156 0.046 0.671 210 HA ASN 27 HA ASN 27 4.962 -0.545 3.224 211 1HB ASN 27 2HB ASN 27 7.838 -0.431 2.198 212 2HB ASN 27 3HB ASN 27 7.484 -0.633 3.902 213 1HD2 ASN 27 2HD2 ASN 27 6.409 -3.583 1.182 214 2HD2 ASN 27 1HD2 ASN 27 6.487 -1.914 0.731 215 H CYS 28 HN CYS 28 5.194 2.185 1.518 216 HA CYS 28 HA CYS 28 6.676 3.835 3.337 217 1HB CYS 28 2HB CYS 28 6.669 4.281 0.901 218 2HB CYS 28 3HB CYS 28 4.947 4.603 0.961 219 H ARG 29 HN ARG 29 5.802 4.835 5.131 220 HA ARG 29 HA ARG 29 3.130 4.271 5.786 221 1HB ARG 29 2HB ARG 29 3.614 5.623 7.833 222 2HB ARG 29 3HB ARG 29 4.885 4.458 7.518 223 1HG ARG 29 2HG ARG 29 5.239 7.149 6.249 224 2HG ARG 29 3HG ARG 29 5.354 7.109 7.997 225 1HD ARG 29 2HD ARG 29 6.864 4.873 7.196 226 2HD ARG 29 3HD ARG 29 7.242 6.075 5.978 227 HE ARG 29 HE ARG 29 7.329 7.109 8.726 228 1HH1 ARG 29 2HH2 ARG 29 9.191 5.566 6.137 229 2HH1 ARG 29 1HH2 ARG 29 10.722 6.089 6.756 230 HH2 ARG 29 HH1 ARG 29 10.791 7.401 8.761 231 H ALA 30 HN ALA 30 4.798 6.871 4.119 232 HA ALA 30 HA ALA 30 3.044 8.981 4.683 233 1HB ALA 30 2HB ALA 30 5.399 8.533 3.214 234 2HB ALA 30 3HB ALA 30 4.200 9.057 2.006 235 3HB ALA 30 1HB ALA 30 4.546 10.083 3.419 236 HA PRO 31 HA PRO 31 -0.380 8.015 2.226 237 1HB PRO 31 2HB PRO 31 -1.367 10.488 1.612 238 2HB PRO 31 3HB PRO 31 -1.633 9.706 3.159 239 1HG PRO 31 2HG PRO 31 0.193 11.936 2.498 240 2HG PRO 31 3HG PRO 31 -0.399 11.430 4.067 241 1HD PRO 31 2HD PRO 31 2.208 10.939 2.976 242 2HD PRO 31 3HD PRO 31 1.577 10.335 4.495 243 H ARG 32 HN ARG 32 -1.269 7.735 0.140 244 HA ARG 32 HA ARG 32 0.668 7.665 -1.784 245 1HB ARG 32 2HB ARG 32 -2.309 7.954 -2.390 246 2HB ARG 32 3HB ARG 32 -1.114 7.072 -3.320 247 1HG ARG 32 2HG ARG 32 -2.196 6.353 -0.561 248 2HG ARG 32 3HG ARG 32 -2.412 5.453 -2.048 249 1HD ARG 32 2HD ARG 32 0.380 5.982 -0.964 250 2HD ARG 32 3HD ARG 32 -0.578 4.653 -0.341 251 HE ARG 32 HE ARG 32 0.786 4.702 -2.865 252 1HH1 ARG 32 2HH2 ARG 32 -2.268 3.607 -1.442 253 2HH1 ARG 32 1HH2 ARG 32 -2.493 2.336 -2.597 254 HH2 ARG 32 HH1 ARG 32 -0.860 2.012 -4.320 255 H LYS 33 HN LYS 33 1.743 9.428 -2.633 256 HA LYS 33 HA LYS 33 0.080 11.665 -3.528 257 1HB LYS 33 2HB LYS 33 1.716 13.266 -2.702 258 2HB LYS 33 3HB LYS 33 1.065 12.313 -1.385 259 1HG LYS 33 2HG LYS 33 3.136 11.579 -0.830 260 2HG LYS 33 3HG LYS 33 3.375 10.929 -2.440 261 1HD LYS 33 2HD LYS 33 4.971 12.522 -2.724 262 2HD LYS 33 3HD LYS 33 3.665 13.684 -2.841 263 1HE LYS 33 2HE LYS 33 3.883 13.411 -0.094 264 2HE LYS 33 3HE LYS 33 5.548 13.176 -0.589 265 1HZ LYS 33 1HZ LYS 33 5.539 15.438 -0.585 266 2HZ LYS 33 2HZ LYS 33 4.878 15.306 -2.068 267 H LYS 34 HN LYS 34 1.893 13.203 -4.829 268 HA LYS 34 HA LYS 34 3.582 11.467 -6.417 269 1HB LYS 34 2HB LYS 34 2.571 12.102 -8.535 270 2HB LYS 34 3HB LYS 34 1.409 11.266 -7.526 271 1HG LYS 34 2HG LYS 34 0.880 13.814 -6.736 272 2HG LYS 34 3HG LYS 34 1.484 14.155 -8.346 273 1HD LYS 34 2HD LYS 34 -0.213 12.834 -9.396 274 2HD LYS 34 3HD LYS 34 -0.607 11.993 -7.911 275 1HE LYS 34 2HE LYS 34 -1.876 13.764 -7.067 276 2HE LYS 34 3HE LYS 34 -0.939 14.984 -7.907 277 1HZ LYS 34 1HZ LYS 34 -2.568 13.107 -9.487 278 2HZ LYS 34 2HZ LYS 34 -3.297 14.378 -8.775 279 H GLY 35 HN GLY 35 4.607 13.151 -4.628 280 1HA GLY 35 1HA GLY 35 5.024 15.754 -5.905 281 2HA GLY 35 2HA GLY 35 5.468 15.285 -4.276 282 H CYS 36 HN CYS 36 6.791 16.141 -7.159 283 HA CYS 36 HA CYS 36 8.648 14.179 -7.735 284 1HB CYS 36 2HB CYS 36 8.304 15.924 -9.313 285 2HB CYS 36 3HB CYS 36 8.670 17.176 -8.143 286 H TRP 37 HN TRP 37 10.260 13.360 -6.446 287 HA TRP 37 HA TRP 37 11.001 14.796 -4.061 288 1HB TRP 37 2HB TRP 37 12.562 12.428 -4.604 289 2HB TRP 37 3HB TRP 37 11.498 12.795 -3.261 290 HD1 TRP 37 HD1 TRP 37 8.764 12.213 -3.755 291 HE1 TRP 37 HE1 TRP 37 7.618 10.258 -5.107 292 HE3 TRP 37 HE3 TRP 37 12.868 11.001 -6.502 293 HZ2 TRP 37 HZ2 TRP 37 8.535 8.464 -7.128 294 HZ3 TRP 37 HZ3 TRP 37 12.658 9.135 -8.142 295 HH2 TRP 37 HH2 TRP 37 10.586 7.883 -8.478 296 H LYS 38 HN LYS 38 11.586 16.204 -6.503 297 HA LYS 38 HA LYS 38 14.510 16.175 -6.341 298 1HB LYS 38 2HB LYS 38 13.122 15.225 -8.537 299 2HB LYS 38 3HB LYS 38 13.451 16.886 -8.985 300 1HG LYS 38 2HG LYS 38 15.691 15.283 -7.752 301 2HG LYS 38 3HG LYS 38 15.247 14.934 -9.412 302 1HD LYS 38 2HD LYS 38 16.132 16.896 -10.192 303 2HD LYS 38 3HD LYS 38 15.456 17.836 -8.878 304 1HE LYS 38 2HE LYS 38 17.271 16.999 -7.357 305 2HE LYS 38 3HE LYS 38 17.954 16.083 -8.685 306 1HZ LYS 38 1HZ LYS 38 18.349 18.149 -9.875 307 2HZ LYS 38 2HZ LYS 38 17.610 19.035 -8.724 308 H CYS 39 HN CYS 39 11.528 17.953 -7.375 309 HA CYS 39 HA CYS 39 12.944 20.414 -6.666 310 1HB CYS 39 2HB CYS 39 11.185 21.553 -8.057 311 2HB CYS 39 3HB CYS 39 12.284 20.522 -8.952 312 H GLY 40 HN GLY 40 10.103 18.309 -6.178 313 1HA GLY 40 1HA GLY 40 8.999 18.184 -4.117 314 2HA GLY 40 2HA GLY 40 9.441 19.843 -3.763 315 H LYS 41 HN LYS 41 8.311 19.085 -7.021 316 HA LYS 41 HA LYS 41 5.911 20.641 -6.457 317 1HB LYS 41 2HB LYS 41 7.783 20.722 -8.515 318 2HB LYS 41 3HB LYS 41 6.411 19.912 -9.245 319 1HG LYS 41 2HG LYS 41 5.088 21.902 -7.923 320 2HG LYS 41 3HG LYS 41 6.623 22.709 -8.180 321 1HD LYS 41 2HD LYS 41 6.451 22.583 -10.543 322 2HD LYS 41 3HD LYS 41 5.306 21.258 -10.491 323 1HE LYS 41 2HE LYS 41 3.490 22.672 -9.898 324 2HE LYS 41 3HE LYS 41 4.540 23.935 -9.290 325 1HZ LYS 41 1HZ LYS 41 3.675 23.469 -11.996 326 2HZ LYS 41 2HZ LYS 41 4.230 24.843 -11.322 327 H GLU 42 HN GLU 42 3.912 19.742 -6.351 328 HA GLU 42 HA GLU 42 3.798 16.894 -6.710 329 1HB GLU 42 2HB GLU 42 1.620 17.050 -5.603 330 2HB GLU 42 3HB GLU 42 2.805 17.969 -4.695 331 1HG GLU 42 2HG GLU 42 1.830 19.869 -6.495 332 2HG GLU 42 3HG GLU 42 0.402 18.913 -6.147 333 HE2 GLU 42 HE2 GLU 42 -0.225 21.079 -4.324 334 H GLY 43 HN GLY 43 3.120 15.939 -8.578 335 1HA GLY 43 1HA GLY 43 1.012 16.099 -10.053 336 2HA GLY 43 2HA GLY 43 1.718 17.627 -10.540 337 H HIS 44 HN HIS 44 4.461 17.081 -10.652 338 HA HIS 44 HA HIS 44 4.496 15.148 -12.840 339 1HB HIS 44 2HB HIS 44 6.280 16.354 -13.775 340 2HB HIS 44 3HB HIS 44 5.135 17.563 -13.232 341 HD1 HIS 44 HD1 HIS 44 5.935 19.272 -11.517 342 HD2 HIS 44 HD2 HIS 44 8.652 16.131 -12.103 343 HE1 HIS 44 HE1 HIS 44 8.072 19.936 -10.289 344 H GLN 45 HN GLN 45 6.951 14.222 -13.063 345 HA GLN 45 HA GLN 45 7.676 13.322 -10.387 346 1HB GLN 45 2HB GLN 45 8.064 11.071 -11.239 347 2HB GLN 45 3HB GLN 45 6.425 11.551 -11.631 348 1HG GLN 45 2HG GLN 45 7.850 12.458 -13.851 349 2HG GLN 45 3HG GLN 45 8.706 10.985 -13.439 350 1HE2 GLN 45 2HE2 GLN 45 6.393 8.919 -14.936 351 2HE2 GLN 45 1HE2 GLN 45 8.016 9.277 -14.452 352 H MET 46 HN MET 46 9.988 12.547 -10.226 353 HA MET 46 HA MET 46 11.714 14.425 -11.136 354 1HB MET 46 2HB MET 46 12.182 12.808 -9.295 355 2HB MET 46 3HB MET 46 12.214 11.478 -10.435 356 1HG MET 46 2HG MET 46 14.061 13.594 -11.276 357 2HG MET 46 3HG MET 46 14.409 13.091 -9.634 358 1HE MET 46 2HE MET 46 14.451 10.940 -8.838 359 2HE MET 46 3HE MET 46 13.992 9.501 -9.779 360 3HE MET 46 1HE MET 46 15.711 9.896 -9.540 361 H LYS 47 HN LYS 47 10.914 11.222 -12.606 362 HA LYS 47 HA LYS 47 12.839 11.241 -14.593 363 1HB LYS 47 2HB LYS 47 10.531 9.705 -13.863 364 2HB LYS 47 3HB LYS 47 10.468 10.012 -15.586 365 1HG LYS 47 2HG LYS 47 11.750 7.969 -15.216 366 2HG LYS 47 3HG LYS 47 12.844 9.209 -15.796 367 1HD LYS 47 2HD LYS 47 13.828 7.966 -13.881 368 2HD LYS 47 3HD LYS 47 13.624 9.664 -13.498 369 1HE LYS 47 2HE LYS 47 11.670 9.237 -12.149 370 2HE LYS 47 3HE LYS 47 11.491 7.612 -12.780 371 1HZ LYS 47 1HZ LYS 47 12.737 8.131 -10.487 372 2HZ LYS 47 2HZ LYS 47 13.113 6.833 -11.394 373 H ASP 48 HN ASP 48 9.682 12.898 -14.341 374 HA ASP 48 HA ASP 48 10.242 14.047 -16.960 375 1HB ASP 48 2HB ASP 48 8.017 12.738 -16.400 376 2HB ASP 48 3HB ASP 48 7.566 14.192 -15.531 377 HD2 ASP 48 HD2 ASP 48 8.500 13.159 -18.756 378 H CYS 49 HN CYS 49 11.480 14.889 -14.407 379 HA CYS 49 HA CYS 49 10.187 16.920 -13.108 380 1HB CYS 49 2HB CYS 49 12.358 15.883 -12.433 381 2HB CYS 49 3HB CYS 49 13.161 16.780 -13.706 382 H THR 50 HN THR 50 9.208 18.687 -14.038 383 HA THR 50 HA THR 50 10.125 19.659 -16.592 384 HB THR 50 HB THR 50 7.699 19.441 -15.961 385 HG1 THR 50 HG1 THR 50 8.632 22.214 -16.133 386 1HG2 THR 50 1HG2 THR 50 8.359 21.762 -14.072 387 2HG2 THR 50 2HG2 THR 50 6.730 21.146 -14.438 388 3HG2 THR 50 3HG2 THR 50 7.886 20.130 -13.545 389 H GLU 51 HN GLU 51 11.457 19.949 -13.621 390 HA GLU 51 HA GLU 51 12.711 22.389 -14.397 391 1HB GLU 51 2HB GLU 51 10.635 22.346 -12.304 392 2HB GLU 51 3HB GLU 51 12.157 22.989 -11.721 393 1HG GLU 51 2HG GLU 51 12.143 24.792 -13.230 394 2HG GLU 51 3HG GLU 51 11.150 23.947 -14.400 395 HE2 GLU 51 HE2 GLU 51 9.108 26.429 -12.608 396 H ARG 52 HN ARG 52 14.455 20.773 -14.567 397 HA ARG 52 HA ARG 52 15.216 19.375 -12.241 398 1HB ARG 52 2HB ARG 52 17.201 18.708 -13.597 399 2HB ARG 52 3HB ARG 52 15.717 18.509 -14.508 400 1HG ARG 52 2HG ARG 52 16.388 21.125 -15.131 401 2HG ARG 52 3HG ARG 52 17.973 20.397 -14.956 402 1HD ARG 52 2HD ARG 52 16.642 18.459 -16.434 403 2HD ARG 52 3HD ARG 52 15.899 19.927 -17.038 404 HE ARG 52 HE ARG 52 18.707 19.117 -17.373 405 1HH1 ARG 52 2HH2 ARG 52 16.404 21.804 -17.531 406 2HH1 ARG 52 1HH2 ARG 52 17.397 22.756 -18.583 407 HH2 ARG 52 HH1 ARG 52 19.518 21.895 -19.293 408 H GLN 53 HN GLN 53 16.329 20.230 -10.513 409 HA GLN 53 HA GLN 53 18.615 21.716 -10.779 410 1HB GLN 53 2HB GLN 53 16.454 23.362 -11.347 411 2HB GLN 53 3HB GLN 53 16.697 23.669 -9.639 412 1HG GLN 53 2HG GLN 53 19.112 24.152 -10.063 413 2HG GLN 53 3HG GLN 53 18.882 23.828 -11.770 414 1HE2 GLN 53 2HE2 GLN 53 17.932 27.412 -10.095 415 2HE2 GLN 53 1HE2 GLN 53 18.614 26.079 -9.226 416 H ALA 54 HN ALA 54 18.938 23.046 -8.455 417 HA ALA 54 HA ALA 54 19.155 22.836 -6.263 418 1HB ALA 54 2HB ALA 54 16.704 23.080 -6.225 419 2HB ALA 54 3HB ALA 54 16.518 21.322 -6.443 420 3HB ALA 54 1HB ALA 54 17.248 21.962 -4.951 421 H ASN 55 HN ASN 55 19.102 20.943 -4.397 422 HA ASN 55 HA ASN 55 21.109 19.314 -4.879 423 1HB ASN 55 2HB ASN 55 20.306 17.896 -3.034 424 2HB ASN 55 3HB ASN 55 19.889 19.561 -2.681 425 1HD2 ASN 55 2HD2 ASN 55 16.467 19.082 -2.523 426 2HD2 ASN 55 1HD2 ASN 55 17.855 20.096 -2.307 427 1H5* G 201 1H5* G 201 0.196 -19.726 -7.275 428 2H5* G 201 2H5* G 201 0.693 -18.209 -6.524 429 H4* G 201 H4* G 201 0.272 -19.890 -4.838 430 H3* G 201 H3* G 201 3.171 -19.090 -5.144 431 1H2* G 201 1H2* G 201 3.645 -20.304 -3.180 432 2HO* G 201 2HO* G 201 1.715 -19.422 -2.184 433 H1* G 201 H1* G 201 2.066 -22.510 -3.842 434 H8 G 201 H8 G 201 4.193 -20.571 -6.379 435 H1 G 201 H1 G 201 6.724 -26.155 -4.305 436 1H2 G 201 1H2 G 201 5.490 -26.982 -2.876 437 2H2 G 201 2H2 G 201 3.991 -26.269 -2.321 438 1H5* G 202 1H5* G 202 2.744 -18.255 -0.751 439 2H5* G 202 2H5* G 202 3.668 -16.755 -0.708 440 H4* G 202 H4* G 202 4.612 -18.517 0.732 441 H3* G 202 H3* G 202 6.263 -17.398 -1.517 442 1H2* G 202 1H2* G 202 8.088 -18.738 -0.890 443 2HO* G 202 2HO* G 202 7.451 -19.964 1.301 444 H1* G 202 H1* G 202 6.540 -21.040 -0.376 445 H8 G 202 H8 G 202 5.971 -18.797 -3.422 446 H1 G 202 H1 G 202 9.493 -24.114 -4.517 447 1H2 G 202 1H2 G 202 9.818 -25.104 -2.737 448 2H2 G 202 2H2 G 202 9.224 -24.572 -1.181 449 1H5* A 203 1H5* A 203 8.651 -17.458 1.779 450 2H5* A 203 2H5* A 203 9.155 -15.830 2.231 451 H4* A 203 H4* A 203 11.146 -16.961 2.315 452 H3* A 203 H3* A 203 10.872 -15.620 -0.329 453 1H2* A 203 1H2* A 203 12.795 -16.642 -1.209 454 2HO* A 203 2HO* A 203 13.891 -18.027 0.685 455 H1* A 203 H1* A 203 12.249 -19.197 -0.192 456 H8 A 203 H8 A 203 9.521 -16.954 -1.668 457 1H6 A 203 1H6 A 203 10.140 -20.421 -6.821 458 2H6 A 203 2H6 A 203 9.226 -19.122 -6.088 459 H2 A 203 H2 A 203 13.184 -21.757 -3.873 460 1H5* C 204 1H5* C 204 14.855 -15.372 0.853 461 2H5* C 204 2H5* C 204 15.636 -13.865 0.373 462 H4* C 204 H4* C 204 16.761 -15.765 -0.620 463 H3* C 204 H3* C 204 15.310 -13.937 -2.529 464 1H2* C 204 1H2* C 204 16.095 -15.186 -4.328 465 2HO* C 204 2HO* C 204 18.247 -15.050 -3.450 466 H1* C 204 H1* C 204 16.006 -17.707 -3.048 467 1H4 C 204 1H4 C 204 10.683 -17.779 -6.533 468 2H4 C 204 2H4 C 204 10.007 -16.484 -5.571 469 H5 C 204 H5 C 204 11.172 -15.390 -3.832 470 H6 C 204 H6 C 204 13.295 -15.268 -2.577 471 1H5* U 205 1H5* U 205 19.661 -13.140 -2.732 472 2H5* U 205 2H5* U 205 20.166 -11.610 -3.448 473 H4* U 205 H4* U 205 20.843 -13.449 -4.855 474 H3* U 205 H3* U 205 18.704 -11.649 -5.971 475 1H2* U 205 1H2* U 205 18.719 -12.851 -7.983 476 2HO* U 205 2HO* U 205 21.127 -13.967 -6.861 477 H1* U 205 H1* U 205 19.024 -15.388 -6.739 478 H3 U 205 H3 U 205 14.931 -15.990 -8.499 479 H5 U 205 H5 U 205 14.316 -12.920 -5.718 480 H6 U 205 H6 U 205 16.738 -12.914 -5.336 481 1H5* A 206 1H5* A 206 20.733 -11.722 -8.722 482 2H5* A 206 2H5* A 206 21.680 -10.366 -9.331 483 H4* A 206 H4* A 206 20.462 -11.078 -11.179 484 H3* A 206 H3* A 206 19.063 -8.724 -9.910 485 1H2* A 206 1H2* A 206 17.418 -8.825 -11.528 486 2HO* A 206 2HO* A 206 19.333 -10.341 -13.053 487 H1* A 206 H1* A 206 17.634 -11.643 -12.038 488 H8 A 206 H8 A 206 17.135 -10.253 -8.529 489 1H6 A 206 1H6 A 206 11.081 -11.510 -9.377 490 2H6 A 206 2H6 A 206 12.264 -10.960 -8.212 491 H2 A 206 H2 A 206 13.216 -12.321 -13.188 492 1H5* G 207 1H5* G 207 19.994 -7.845 -13.546 493 2H5* G 207 2H5* G 207 20.009 -6.226 -14.243 494 H4* G 207 H4* G 207 17.927 -7.181 -14.803 495 H3* G 207 H3* G 207 17.288 -5.471 -12.371 496 1H2* G 207 1H2* G 207 15.196 -5.315 -13.431 497 2HO* G 207 2HO* G 207 15.526 -6.271 -15.848 498 H1* G 207 H1* G 207 15.291 -7.935 -14.500 499 H8 G 207 H8 G 207 16.305 -7.162 -10.899 500 H1 G 207 H1 G 207 10.252 -9.323 -11.657 501 1H2 G 207 1H2 G 207 9.837 -9.516 -13.668 502 2H2 G 207 2H2 G 207 10.961 -9.148 -14.956 503 1H5* C 208 1H5* C 208 17.575 -1.743 -15.143 504 2H5* C 208 2H5* C 208 17.016 -0.468 -14.060 505 H4* C 208 H4* C 208 15.496 -2.103 -15.805 506 H3* C 208 H3* C 208 14.881 0.135 -13.894 507 1H2* C 208 1H2* C 208 12.812 -0.767 -13.587 508 2HO* C 208 2HO* C 208 12.842 -0.837 -16.465 509 H1* C 208 H1* C 208 12.789 -2.954 -15.477 510 1H4 C 208 1H4 C 208 11.544 -5.796 -9.912 511 2H4 C 208 2H4 C 208 13.169 -5.455 -9.362 512 H5 C 208 H5 C 208 14.741 -4.197 -10.596 513 H6 C 208 H6 C 208 15.144 -2.943 -12.685 514 1H5* G 209 1H5* G 209 13.498 3.657 -13.855 515 2H5* G 209 2H5* G 209 13.971 1.981 -13.580 516 H4* G 209 H4* G 209 11.624 2.156 -15.285 517 H3* G 209 H3* G 209 11.593 3.827 -12.827 518 1H2* G 209 1H2* G 209 9.843 2.718 -11.859 519 2HO* G 209 2HO* G 209 9.128 2.145 -14.591 520 H1* G 209 H1* G 209 9.954 0.215 -13.100 521 H8 G 209 H8 G 209 13.086 1.989 -11.796 522 H1 G 209 H1 G 209 10.631 -2.543 -7.882 523 1H2 G 209 1H2 G 209 8.881 -3.276 -8.690 524 2H2 G 209 2H2 G 209 8.183 -2.741 -10.201 525 1H5* G 210 1H5* G 210 10.764 6.231 -11.524 526 2H5* G 210 2H5* G 210 9.996 4.721 -12.014 527 H4* G 210 H4* G 210 8.395 5.440 -10.596 528 H3* G 210 H3* G 210 7.730 6.504 -13.268 529 1H2* G 210 1H2* G 210 7.048 8.486 -12.287 530 2HO* G 210 2HO* G 210 4.849 8.084 -11.706 531 H1* G 210 H1* G 210 6.424 7.693 -9.573 532 H8 G 210 H8 G 210 9.698 8.476 -11.433 533 H1 G 210 H1 G 210 8.070 12.624 -6.740 534 1H2 G 210 1H2 G 210 6.290 12.032 -5.884 535 2H2 G 210 2H2 G 210 5.374 10.622 -6.367 536 1H5* A 211 1H5* A 211 8.050 3.603 -11.250 537 2H5* A 211 2H5* A 211 8.043 1.843 -11.351 538 H4* A 211 H4* A 211 6.848 2.183 -9.427 539 H3* A 211 H3* A 211 4.942 1.908 -11.712 540 1H2* A 211 1H2* A 211 3.690 3.439 -10.406 541 2HO* A 211 2HO* A 211 2.544 1.515 -10.529 542 H1* A 211 H1* A 211 4.818 2.057 -7.920 543 H8 A 211 H8 A 211 4.594 5.682 -9.152 544 1H6 A 211 1H6 A 211 1.512 6.772 -3.835 545 2H6 A 211 2H6 A 211 2.159 7.521 -5.278 546 H2 A 211 H2 A 211 2.414 2.426 -4.054 547 1H5* G 212 1H5* G 212 3.525 -3.144 -10.501 548 2H5* G 212 2H5* G 212 2.654 -2.961 -8.978 549 H4* G 212 H4* G 212 5.324 -3.854 -9.426 550 H3* G 212 H3* G 212 3.433 -3.710 -7.131 551 1H2* G 212 1H2* G 212 5.076 -3.300 -5.612 552 2HO* G 212 2HO* G 212 6.779 -5.003 -7.165 553 H1* G 212 H1* G 212 7.288 -2.926 -7.509 554 H8 G 212 H8 G 212 4.268 -0.822 -6.396 555 H1 G 212 H1 G 212 10.080 1.594 -4.895 556 1H2 G 212 1H2 G 212 11.551 0.308 -5.554 557 2H2 G 212 2H2 G 212 11.255 -1.201 -6.389 558 1H5* G 213 1H5* G 213 2.203 -4.880 -8.985 559 2H5* G 213 2H5* G 213 0.747 -5.866 -9.116 560 H4* G 213 H4* G 213 1.363 -6.046 -11.265 561 H3* G 213 H3* G 213 3.070 -8.120 -9.913 562 1H2* G 213 1H2* G 213 4.259 -8.487 -11.853 563 2HO* G 213 2HO* G 213 1.990 -7.302 -13.176 564 H1* G 213 H1* G 213 4.100 -5.953 -13.024 565 H8 G 213 H8 G 213 4.837 -6.855 -9.358 566 H1 G 213 H1 G 213 9.855 -4.589 -12.758 567 1H2 G 213 1H2 G 213 9.256 -4.192 -14.691 568 2H2 G 213 2H2 G 213 7.634 -4.437 -15.300 569 1H5* C 214 1H5* C 214 1.448 -10.091 -13.521 570 2H5* C 214 2H5* C 214 1.702 -11.817 -13.268 571 H4* C 214 H4* C 214 3.080 -10.855 -15.087 572 H3* C 214 H3* C 214 4.496 -12.102 -12.723 573 1H2* C 214 1H2* C 214 6.508 -11.955 -13.946 574 2HO* C 214 2HO* C 214 5.774 -10.987 -16.302 575 H1* C 214 H1* C 214 5.984 -9.366 -14.919 576 1H4 C 214 1H4 C 214 9.679 -8.154 -9.883 577 2H4 C 214 2H4 C 214 8.450 -8.770 -8.801 578 H5 C 214 H5 C 214 6.412 -9.718 -9.527 579 H6 C 214 H6 C 214 5.038 -10.312 -11.490 580 1H5* U 215 1H5* U 215 5.058 -14.020 -16.072 581 2H5* U 215 2H5* U 215 5.100 -15.757 -16.368 582 H4* U 215 H4* U 215 7.160 -14.848 -17.122 583 H3* U 215 H3* U 215 7.261 -16.579 -14.726 584 1H2* U 215 1H2* U 215 9.274 -15.819 -13.970 585 2HO* U 215 2HO* U 215 10.691 -15.116 -16.016 586 H1* U 215 H1* U 215 9.340 -13.421 -15.686 587 H3 U 215 H3 U 215 10.958 -11.586 -11.895 588 H5 U 215 H5 U 215 7.111 -12.833 -10.803 589 H6 U 215 H6 U 215 6.934 -13.887 -13.010 590 1H5* A 216 1H5* A 216 10.004 -17.441 -17.436 591 2H5* A 216 2H5* A 216 10.521 -18.984 -18.116 592 H4* A 216 H4* A 216 12.432 -18.092 -17.103 593 H3* A 216 H3* A 216 11.168 -20.217 -15.396 594 1H2* A 216 1H2* A 216 12.623 -19.795 -13.678 595 2HO* A 216 2HO* A 216 14.681 -19.959 -14.369 596 H1* A 216 H1* A 216 13.369 -17.118 -14.634 597 H8 A 216 H8 A 216 9.882 -17.923 -13.407 598 1H6 A 216 1H6 A 216 11.701 -15.555 -7.926 599 2H6 A 216 2H6 A 216 10.327 -16.169 -8.819 600 H2 A 216 H2 A 216 15.249 -15.773 -10.592 601 1H5* G 217 1H5* G 217 15.013 -21.860 -16.204 602 2H5* G 217 2H5* G 217 15.078 -23.581 -15.825 603 H4* G 217 H4* G 217 16.211 -22.253 -14.130 604 H3* G 217 H3* G 217 13.650 -23.544 -13.125 605 1H2* G 217 1H2* G 217 14.489 -23.133 -10.968 606 2HO* G 217 2HO* G 217 16.575 -23.976 -11.706 607 H1* G 217 H1* G 217 15.657 -20.626 -11.759 608 H8 G 217 H8 G 217 12.028 -21.527 -12.489 609 H1 G 217 H1 G 217 12.948 -17.984 -7.152 610 1H2 G 217 1H2 G 217 14.969 -17.769 -6.808 611 2H2 G 217 2H2 G 217 16.228 -18.449 -7.815 612 1H5* U 218 1H5* U 218 16.847 -25.944 -11.934 613 2H5* U 218 2H5* U 218 16.590 -27.625 -11.463 614 H4* U 218 H4* U 218 17.142 -26.443 -9.495 615 H3* U 218 H3* U 218 14.135 -26.866 -9.580 616 1H2* U 218 1H2* U 218 14.160 -26.337 -7.279 617 2HO* U 218 2HO* U 218 16.978 -26.196 -7.207 618 H1* U 218 H1* U 218 16.068 -24.263 -7.592 619 H3 U 218 H3 U 218 12.550 -21.732 -6.412 620 H5 U 218 H5 U 218 11.333 -23.380 -10.065 621 H6 U 218 H6 U 218 13.397 -24.703 -10.044 622 1H5* C 219 1H5* C 219 15.696 -28.947 -6.805 623 2H5* C 219 2H5* C 219 15.243 -30.564 -6.265 624 H4* C 219 H4* C 219 14.911 -29.144 -4.420 625 H3* C 219 H3* C 219 12.267 -29.753 -5.763 626 1H2* C 219 1H2* C 219 11.193 -28.620 -4.051 627 2HO* C 219 2HO* C 219 13.635 -28.875 -2.556 628 H1* C 219 H1* C 219 13.135 -26.688 -3.507 629 1H4 C 219 1H4 C 219 9.329 -23.525 -7.501 630 2H4 C 219 2H4 C 219 9.719 -24.633 -8.798 631 H5 C 219 H5 C 219 11.118 -26.518 -8.542 632 H6 C 219 H6 C 219 12.503 -27.817 -6.963 633 1H5* C 220 1H5* C 220 11.572 -32.200 -2.207 634 2H5* C 220 2H5* C 220 11.248 -33.818 -2.829 635 H4* C 220 H4* C 220 9.374 -33.359 -1.551 636 H3* C 220 H3* C 220 8.857 -32.929 -4.447 637 1H2* C 220 1H2* C 220 6.713 -32.015 -4.083 638 2HO* C 220 2HO* C 220 5.989 -33.356 -2.470 639 H1* C 220 H1* C 220 7.572 -30.368 -1.942 640 1H4 C 220 1H4 C 220 7.533 -26.238 -6.776 641 2H4 C 220 2H4 C 220 8.717 -27.190 -7.642 642 H5 C 220 H5 C 220 9.580 -29.245 -6.861 643 H6 C 220 H6 C 220 9.518 -30.908 -5.037 No H/Q in entry = 643 Start of MODEL 14 1 H MET 1 HN MET 1 2.144 -15.234 5.271 2 HA MET 1 HA MET 1 2.897 -13.238 4.835 3 1HB MET 1 2HB MET 1 5.373 -12.827 4.728 4 2HB MET 1 3HB MET 1 4.966 -13.875 6.071 5 1HG MET 1 2HG MET 1 5.382 -15.560 3.769 6 2HG MET 1 3HG MET 1 6.715 -14.425 3.831 7 1HE MET 1 3HE MET 1 8.575 -15.737 4.360 8 2HE MET 1 1HE MET 1 8.667 -14.539 5.674 9 3HE MET 1 2HE MET 1 8.986 -16.257 6.012 10 H GLN 2 HN GLN 2 1.568 -14.054 2.790 11 HA GLN 2 HA GLN 2 2.845 -14.710 0.466 12 1HB GLN 2 2HB GLN 2 0.267 -13.183 0.991 13 2HB GLN 2 3HB GLN 2 0.770 -13.619 -0.629 14 1HG GLN 2 2HG GLN 2 -0.122 -15.678 -0.322 15 2HG GLN 2 3HG GLN 2 1.078 -15.990 0.917 16 1HE2 GLN 2 2HE2 GLN 2 -2.765 -15.825 1.885 17 2HE2 GLN 2 1HE2 GLN 2 -2.079 -16.106 0.319 18 H LYS 3 HN LYS 3 2.430 -12.975 -1.583 19 HA LYS 3 HA LYS 3 3.200 -11.185 -2.620 20 1HB LYS 3 2HB LYS 3 2.982 -9.948 0.134 21 2HB LYS 3 3HB LYS 3 3.478 -9.039 -1.280 22 1HG LYS 3 2HG LYS 3 0.933 -10.690 -1.359 23 2HG LYS 3 3HG LYS 3 0.924 -9.106 -0.610 24 1HD LYS 3 2HD LYS 3 1.841 -8.114 -2.730 25 2HD LYS 3 3HD LYS 3 1.801 -9.700 -3.476 26 1HE LYS 3 2HE LYS 3 -0.782 -9.545 -2.556 27 2HE LYS 3 3HE LYS 3 -0.458 -7.844 -2.833 28 1HZ LYS 3 1HZ LYS 3 0.538 -9.198 -5.048 29 2HZ LYS 3 2HZ LYS 3 -0.922 -9.862 -4.763 30 H GLY 4 HN GLY 4 5.005 -13.093 -2.417 31 1HA GLY 4 1HA GLY 4 7.324 -12.627 -0.938 32 2HA GLY 4 2HA GLY 4 7.206 -13.540 -2.430 33 H ASN 5 HN ASN 5 5.986 -10.928 -3.705 34 HA ASN 5 HA ASN 5 8.241 -10.134 -4.998 35 1HB ASN 5 2HB ASN 5 5.562 -9.573 -5.216 36 2HB ASN 5 3HB ASN 5 6.122 -8.046 -4.565 37 1HD2 ASN 5 2HD2 ASN 5 6.770 -6.997 -7.812 38 2HD2 ASN 5 1HD2 ASN 5 5.878 -6.816 -6.338 39 H PHE 6 HN PHE 6 7.087 -9.383 -1.785 40 HA PHE 6 HA PHE 6 8.057 -6.821 -1.405 41 1HB PHE 6 2HB PHE 6 7.203 -9.217 0.114 42 2HB PHE 6 3HB PHE 6 8.471 -8.364 0.971 43 HD1 PHE 6 HD1 PHE 6 7.746 -5.552 0.096 44 HD2 PHE 6 HD2 PHE 6 5.372 -8.765 1.524 45 HE1 PHE 6 HE1 PHE 6 6.056 -3.915 0.969 46 HE2 PHE 6 HE2 PHE 6 3.682 -7.128 2.398 47 HZ PHE 6 HZ PHE 6 4.044 -4.723 2.110 48 H ARG 7 HN ARG 7 9.784 -9.744 -2.057 49 HA ARG 7 HA ARG 7 12.021 -9.376 -0.507 50 1HB ARG 7 2HB ARG 7 13.165 -10.813 -2.230 51 2HB ARG 7 3HB ARG 7 11.614 -11.461 -1.738 52 1HG ARG 7 2HG ARG 7 10.875 -11.393 -3.878 53 2HG ARG 7 3HG ARG 7 11.135 -9.661 -3.937 54 1HD ARG 7 2HD ARG 7 13.693 -11.070 -4.118 55 2HD ARG 7 3HD ARG 7 12.589 -11.664 -5.342 56 HE ARG 7 HE ARG 7 13.737 -8.968 -5.181 57 1HH1 ARG 7 2HH2 ARG 7 11.122 -10.932 -6.545 58 2HH1 ARG 7 1HH2 ARG 7 10.815 -9.838 -7.852 59 HH2 ARG 7 HH1 ARG 7 12.127 -7.841 -8.045 60 H ASN 8 HN ASN 8 10.756 -7.352 -2.921 61 HA ASN 8 HA ASN 8 12.930 -6.599 -4.384 62 1HB ASN 8 2HB ASN 8 11.703 -4.482 -4.772 63 2HB ASN 8 3HB ASN 8 10.576 -5.824 -4.781 64 1HD2 ASN 8 2HD2 ASN 8 9.577 -2.810 -2.596 65 2HD2 ASN 8 1HD2 ASN 8 10.361 -2.901 -4.138 66 H GLN 9 HN GLN 9 12.068 -6.023 -1.007 67 HA GLN 9 HA GLN 9 13.475 -3.686 -0.566 68 1HB GLN 9 2HB GLN 9 12.821 -6.005 1.301 69 2HB GLN 9 3HB GLN 9 13.488 -4.482 1.852 70 1HG GLN 9 2HG GLN 9 11.544 -3.246 1.118 71 2HG GLN 9 3HG GLN 9 10.945 -4.600 0.179 72 1HE2 GLN 9 2HE2 GLN 9 10.153 -4.191 4.157 73 2HE2 GLN 9 1HE2 GLN 9 11.114 -3.080 3.238 74 H ARG 10 HN ARG 10 14.617 -6.748 -1.521 75 HA ARG 10 HA ARG 10 17.029 -6.670 -0.028 76 1HB ARG 10 2HB ARG 10 17.630 -8.674 -1.292 77 2HB ARG 10 3HB ARG 10 15.937 -8.800 -0.854 78 1HG ARG 10 2HG ARG 10 15.506 -9.151 -3.057 79 2HG ARG 10 3HG ARG 10 15.847 -7.451 -3.308 80 1HD ARG 10 2HD ARG 10 18.388 -8.278 -3.372 81 2HD ARG 10 3HD ARG 10 17.666 -9.831 -3.743 82 HE ARG 10 HE ARG 10 17.768 -7.501 -5.496 83 1HH1 ARG 10 2HH2 ARG 10 15.950 -10.457 -4.778 84 2HH1 ARG 10 1HH2 ARG 10 15.290 -10.586 -6.374 85 HH2 ARG 10 HH1 ARG 10 15.860 -8.938 -8.018 86 H LYS 11 HN LYS 11 15.890 -4.730 -2.449 87 HA LYS 11 HA LYS 11 18.586 -4.338 -3.536 88 1HB LYS 11 2HB LYS 11 17.303 -5.460 -5.251 89 2HB LYS 11 3HB LYS 11 15.968 -4.341 -5.061 90 1HG LYS 11 2HG LYS 11 17.051 -2.625 -6.190 91 2HG LYS 11 3HG LYS 11 18.639 -3.102 -5.622 92 1HD LYS 11 2HD LYS 11 18.946 -3.935 -7.722 93 2HD LYS 11 3HD LYS 11 17.958 -5.281 -7.187 94 1HE LYS 11 2HE LYS 11 15.901 -3.978 -7.964 95 2HE LYS 11 3HE LYS 11 16.983 -2.780 -8.646 96 1HZ LYS 11 1HZ LYS 11 18.015 -4.935 -9.757 97 2HZ LYS 11 2HZ LYS 11 16.512 -5.523 -9.545 98 H THR 12 HN THR 12 17.514 -3.112 -1.191 99 HA THR 12 HA THR 12 16.783 -1.132 -0.356 100 HB THR 12 HB THR 12 19.339 -1.114 -1.012 101 HG1 THR 12 HG1 THR 12 18.388 0.324 0.553 102 1HG2 THR 12 2HG2 THR 12 18.270 -0.037 -3.407 103 2HG2 THR 12 3HG2 THR 12 18.857 1.375 -2.496 104 3HG2 THR 12 1HG2 THR 12 19.971 0.042 -2.883 105 H VAL 13 HN VAL 13 14.855 -1.857 -2.139 106 HA VAL 13 HA VAL 13 14.289 -0.401 -4.303 107 HB VAL 13 HB VAL 13 11.890 -0.491 -3.509 108 1HG1 VAL 13 2HG1 VAL 13 13.759 -2.666 -4.053 109 2HG1 VAL 13 3HG1 VAL 13 12.353 -3.208 -3.106 110 3HG1 VAL 13 1HG1 VAL 13 12.111 -2.392 -4.670 111 1HG2 VAL 13 2HG2 VAL 13 13.221 -1.710 -1.071 112 2HG2 VAL 13 3HG2 VAL 13 12.165 -0.279 -1.132 113 3HG2 VAL 13 1HG2 VAL 13 11.495 -1.894 -1.464 114 H LYS 14 HN LYS 14 13.099 1.607 -4.736 115 HA LYS 14 HA LYS 14 13.723 3.618 -2.691 116 1HB LYS 14 2HB LYS 14 14.112 5.177 -4.405 117 2HB LYS 14 3HB LYS 14 14.912 3.711 -4.935 118 1HG LYS 14 2HG LYS 14 12.408 3.324 -6.013 119 2HG LYS 14 3HG LYS 14 12.503 5.073 -6.061 120 1HD LYS 14 2HD LYS 14 15.006 3.784 -6.961 121 2HD LYS 14 3HD LYS 14 13.625 3.312 -7.931 122 1HE LYS 14 2HE LYS 14 13.764 5.290 -9.029 123 2HE LYS 14 3HE LYS 14 13.333 6.114 -7.543 124 1HZ LYS 14 1HZ LYS 14 15.928 5.875 -8.776 125 2HZ LYS 14 2HZ LYS 14 15.393 6.998 -7.725 126 H CYS 15 HN CYS 15 12.102 4.888 -1.860 127 HA CYS 15 HA CYS 15 9.457 3.990 -2.289 128 1HB CYS 15 2HB CYS 15 10.255 4.811 -0.102 129 2HB CYS 15 3HB CYS 15 10.468 6.417 -0.770 130 H PHE 16 HN PHE 16 8.276 4.517 -4.096 131 HA PHE 16 HA PHE 16 9.055 6.732 -5.716 132 1HB PHE 16 2HB PHE 16 6.883 4.585 -5.641 133 2HB PHE 16 3HB PHE 16 6.745 5.888 -6.804 134 HD1 PHE 16 HD1 PHE 16 9.584 6.250 -7.586 135 HD2 PHE 16 HD2 PHE 16 7.335 2.710 -6.944 136 HE1 PHE 16 HE1 PHE 16 11.094 5.006 -9.159 137 HE2 PHE 16 HE2 PHE 16 8.844 1.466 -8.517 138 HZ PHE 16 HZ PHE 16 10.705 2.628 -9.606 139 H ASN 17 HN ASN 17 7.653 6.825 -2.796 140 HA ASN 17 HA ASN 17 5.523 8.628 -3.579 141 1HB ASN 17 2HB ASN 17 5.341 6.686 -1.779 142 2HB ASN 17 3HB ASN 17 6.173 7.807 -0.720 143 1HD2 ASN 17 2HD2 ASN 17 3.032 8.960 0.254 144 2HD2 ASN 17 1HD2 ASN 17 4.479 8.096 0.655 145 H CYS 18 HN CYS 18 8.208 8.339 -1.119 146 HA CYS 18 HA CYS 18 8.300 11.231 -0.943 147 1HB CYS 18 2HB CYS 18 9.822 10.850 0.962 148 2HB CYS 18 3HB CYS 18 8.284 10.034 1.165 149 H GLY 19 HN GLY 19 10.257 8.342 -1.867 150 1HA GLY 19 1HA GLY 19 11.701 8.431 -3.740 151 2HA GLY 19 2HA GLY 19 12.012 10.126 -3.422 152 H LYS 20 HN LYS 20 11.893 7.656 -0.836 153 HA LYS 20 HA LYS 20 14.793 8.015 -0.525 154 1HB LYS 20 2HB LYS 20 12.563 8.299 1.361 155 2HB LYS 20 3HB LYS 20 13.823 7.233 1.949 156 1HG LYS 20 2HG LYS 20 15.245 9.377 0.798 157 2HG LYS 20 3HG LYS 20 13.877 10.152 1.571 158 1HD LYS 20 2HD LYS 20 14.631 9.674 3.682 159 2HD LYS 20 3HD LYS 20 15.108 8.044 3.249 160 1HE LYS 20 2HE LYS 20 17.125 9.053 2.031 161 2HE LYS 20 3HE LYS 20 16.682 10.605 2.714 162 1HZ LYS 20 1HZ LYS 20 18.325 9.073 3.996 163 2HZ LYS 20 2HZ LYS 20 17.197 9.881 4.851 164 H GLU 21 HN GLU 21 16.073 6.189 -0.250 165 HA GLU 21 HA GLU 21 14.810 3.768 -1.081 166 1HB GLU 21 2HB GLU 21 17.638 4.719 -0.680 167 2HB GLU 21 3HB GLU 21 17.351 2.991 -0.682 168 1HG GLU 21 2HG GLU 21 16.967 2.941 -2.932 169 2HG GLU 21 3HG GLU 21 15.916 4.342 -2.874 170 HE2 GLU 21 HE2 GLU 21 18.118 4.295 -4.946 171 H GLY 22 HN GLY 22 14.719 1.783 0.116 172 1HA GLY 22 1HA GLY 22 15.505 0.657 2.172 173 2HA GLY 22 2HA GLY 22 15.116 2.136 3.029 174 H HIS 23 HN HIS 23 12.702 2.523 1.100 175 HA HIS 23 HA HIS 23 11.017 0.311 1.825 176 1HB HIS 23 2HB HIS 23 9.514 1.442 3.221 177 2HB HIS 23 3HB HIS 23 11.102 1.840 3.847 178 HD1 HIS 23 HD1 HIS 23 11.905 4.310 3.651 179 HD2 HIS 23 HD2 HIS 23 8.092 3.608 2.051 180 HE1 HIS 23 HE1 HIS 23 10.864 6.605 3.252 181 H ILE 24 HN ILE 24 8.859 0.481 0.760 182 HA ILE 24 HA ILE 24 9.093 2.169 -1.627 183 HB ILE 24 HB ILE 24 7.825 0.546 -2.796 184 1HG1 ILE 24 2HG1 ILE 24 7.505 -1.026 -0.226 185 2HG1 ILE 24 3HG1 ILE 24 6.270 0.026 -0.889 186 1HG2 ILE 24 1HG2 ILE 24 10.351 0.115 -1.922 187 2HG2 ILE 24 2HG2 ILE 24 9.550 -1.363 -1.339 188 3HG2 ILE 24 3HG2 ILE 24 9.492 -0.943 -3.068 189 1HD1 ILE 24 3HD1 ILE 24 7.526 -2.302 -2.413 190 2HD1 ILE 24 1HD1 ILE 24 5.973 -2.382 -1.548 191 3HD1 ILE 24 2HD1 ILE 24 6.156 -1.301 -2.949 192 H ALA 25 HN ALA 25 6.969 2.974 -2.527 193 HA ALA 25 HA ALA 25 5.688 4.581 -0.742 194 1HB ALA 25 3HB ALA 25 5.618 4.796 -3.204 195 2HB ALA 25 1HB ALA 25 4.576 3.357 -3.299 196 3HB ALA 25 2HB ALA 25 3.982 4.833 -2.503 197 H LYS 26 HN LYS 26 4.990 1.176 -1.620 198 HA LYS 26 HA LYS 26 2.485 1.013 -0.409 199 1HB LYS 26 2HB LYS 26 4.538 -1.193 -0.730 200 2HB LYS 26 3HB LYS 26 2.809 -1.388 -0.525 201 1HG LYS 26 2HG LYS 26 3.632 0.399 -2.777 202 2HG LYS 26 3HG LYS 26 4.064 -1.289 -2.967 203 1HD LYS 26 2HD LYS 26 1.300 -0.903 -1.969 204 2HD LYS 26 3HD LYS 26 1.569 -0.176 -3.541 205 1HE LYS 26 2HE LYS 26 2.845 -2.668 -3.765 206 2HE LYS 26 3HE LYS 26 1.429 -3.032 -2.798 207 1HZ LYS 26 1HZ LYS 26 0.354 -3.035 -4.769 208 2HZ LYS 26 2HZ LYS 26 0.449 -1.410 -4.758 209 H ASN 27 HN ASN 27 5.822 0.478 0.869 210 HA ASN 27 HA ASN 27 4.687 0.029 3.475 211 1HB ASN 27 2HB ASN 27 7.632 0.166 2.647 212 2HB ASN 27 3HB ASN 27 7.009 -0.496 4.145 213 1HD2 ASN 27 2HD2 ASN 27 7.754 -3.116 1.469 214 2HD2 ASN 27 1HD2 ASN 27 8.609 -1.711 2.013 215 H CYS 28 HN CYS 28 4.899 2.704 1.754 216 HA CYS 28 HA CYS 28 6.587 4.315 3.432 217 1HB CYS 28 2HB CYS 28 6.446 4.718 0.991 218 2HB CYS 28 3HB CYS 28 4.748 5.122 1.153 219 H ARG 29 HN ARG 29 5.841 5.772 5.029 220 HA ARG 29 HA ARG 29 3.248 5.182 6.015 221 1HB ARG 29 2HB ARG 29 5.404 5.674 7.386 222 2HB ARG 29 3HB ARG 29 5.131 7.365 7.016 223 1HG ARG 29 2HG ARG 29 2.757 7.069 7.979 224 2HG ARG 29 3HG ARG 29 3.275 5.496 8.554 225 1HD ARG 29 2HD ARG 29 5.347 7.092 9.460 226 2HD ARG 29 3HD ARG 29 4.002 8.210 9.554 227 HE ARG 29 HE ARG 29 3.015 6.883 11.242 228 1HH1 ARG 29 2HH2 ARG 29 5.764 5.167 9.809 229 2HH1 ARG 29 1HH2 ARG 29 5.792 3.938 11.031 230 HH2 ARG 29 HH1 ARG 29 4.190 4.014 12.811 231 H ALA 30 HN ALA 30 4.843 7.735 4.134 232 HA ALA 30 HA ALA 30 3.005 9.796 4.584 233 1HB ALA 30 3HB ALA 30 5.247 9.164 2.795 234 2HB ALA 30 1HB ALA 30 3.991 10.148 2.005 235 3HB ALA 30 2HB ALA 30 4.759 10.722 3.505 236 HA PRO 31 HA PRO 31 -0.379 8.575 2.186 237 1HB PRO 31 2HB PRO 31 -1.459 10.973 1.445 238 2HB PRO 31 3HB PRO 31 -1.695 10.264 3.030 239 1HG PRO 31 2HG PRO 31 0.044 12.524 2.251 240 2HG PRO 31 3HG PRO 31 -0.528 12.078 3.846 241 1HD PRO 31 2HD PRO 31 2.096 11.631 2.779 242 2HD PRO 31 3HD PRO 31 1.487 11.084 4.328 243 H ARG 32 HN ARG 32 -1.305 8.222 0.105 244 HA ARG 32 HA ARG 32 0.619 8.039 -1.813 245 1HB ARG 32 2HB ARG 32 -2.072 7.309 -1.541 246 2HB ARG 32 3HB ARG 32 -2.117 8.420 -2.896 247 1HG ARG 32 2HG ARG 32 -1.494 6.632 -4.168 248 2HG ARG 32 3HG ARG 32 0.113 6.893 -3.519 249 1HD ARG 32 2HD ARG 32 -1.803 5.266 -1.855 250 2HD ARG 32 3HD ARG 32 -1.153 4.515 -3.298 251 HE ARG 32 HE ARG 32 1.048 4.616 -2.368 252 1HH1 ARG 32 2HH2 ARG 32 -1.347 6.090 -0.211 253 2HH1 ARG 32 1HH2 ARG 32 -0.291 6.092 1.162 254 HH2 ARG 32 HH1 ARG 32 1.931 5.223 0.937 255 H LYS 33 HN LYS 33 1.753 9.752 -2.693 256 HA LYS 33 HA LYS 33 0.152 11.993 -3.693 257 1HB LYS 33 2HB LYS 33 2.187 12.056 -1.604 258 2HB LYS 33 3HB LYS 33 2.609 13.098 -2.948 259 1HG LYS 33 2HG LYS 33 0.914 14.569 -2.502 260 2HG LYS 33 3HG LYS 33 -0.252 13.291 -2.228 261 1HD LYS 33 2HD LYS 33 1.167 12.918 0.016 262 2HD LYS 33 3HD LYS 33 1.648 14.580 -0.263 263 1HE LYS 33 2HE LYS 33 -1.282 13.750 -0.308 264 2HE LYS 33 3HE LYS 33 -0.473 14.163 1.191 265 1HZ LYS 33 1HZ LYS 33 -0.041 16.354 0.374 266 2HZ LYS 33 2HZ LYS 33 -0.491 15.987 -1.148 267 H LYS 34 HN LYS 34 2.015 13.427 -5.045 268 HA LYS 34 HA LYS 34 3.685 11.606 -6.543 269 1HB LYS 34 2HB LYS 34 2.679 12.084 -8.691 270 2HB LYS 34 3HB LYS 34 1.495 11.347 -7.630 271 1HG LYS 34 2HG LYS 34 0.912 13.885 -7.025 272 2HG LYS 34 3HG LYS 34 1.677 14.217 -8.566 273 1HD LYS 34 2HD LYS 34 -0.158 13.512 -9.697 274 2HD LYS 34 3HD LYS 34 -0.115 11.958 -8.888 275 1HE LYS 34 2HE LYS 34 -2.147 12.683 -8.061 276 2HE LYS 34 3HE LYS 34 -1.120 13.416 -6.844 277 1HZ LYS 34 1HZ LYS 34 -1.089 15.353 -8.641 278 2HZ LYS 34 2HZ LYS 34 -2.529 14.712 -9.051 279 H GLY 35 HN GLY 35 4.727 13.376 -4.870 280 1HA GLY 35 1HA GLY 35 5.138 15.902 -6.306 281 2HA GLY 35 2HA GLY 35 5.551 15.552 -4.640 282 H CYS 36 HN CYS 36 6.960 16.260 -7.494 283 HA CYS 36 HA CYS 36 8.808 14.264 -7.960 284 1HB CYS 36 2HB CYS 36 8.543 15.967 -9.594 285 2HB CYS 36 3HB CYS 36 8.876 17.249 -8.446 286 H TRP 37 HN TRP 37 10.385 13.463 -6.617 287 HA TRP 37 HA TRP 37 11.062 14.932 -4.235 288 1HB TRP 37 2HB TRP 37 12.630 12.547 -4.728 289 2HB TRP 37 3HB TRP 37 11.566 12.945 -3.394 290 HD1 TRP 37 HD1 TRP 37 8.794 12.467 -3.985 291 HE1 TRP 37 HE1 TRP 37 7.645 10.471 -5.273 292 HE3 TRP 37 HE3 TRP 37 12.972 10.971 -6.466 293 HZ2 TRP 37 HZ2 TRP 37 8.592 8.533 -7.143 294 HZ3 TRP 37 HZ3 TRP 37 12.774 9.019 -8.003 295 HH2 TRP 37 HH2 TRP 37 10.679 7.812 -8.361 296 H LYS 38 HN LYS 38 11.717 16.315 -6.670 297 HA LYS 38 HA LYS 38 14.633 16.298 -6.418 298 1HB LYS 38 2HB LYS 38 13.330 15.290 -8.638 299 2HB LYS 38 3HB LYS 38 13.660 16.945 -9.113 300 1HG LYS 38 2HG LYS 38 15.594 15.654 -9.751 301 2HG LYS 38 3HG LYS 38 16.072 16.605 -8.359 302 1HD LYS 38 2HD LYS 38 15.188 14.396 -7.052 303 2HD LYS 38 3HD LYS 38 15.617 13.640 -8.574 304 1HE LYS 38 2HE LYS 38 17.751 13.571 -7.778 305 2HE LYS 38 3HE LYS 38 17.814 15.293 -8.099 306 1HZ LYS 38 1HZ LYS 38 17.776 15.724 -5.899 307 2HZ LYS 38 2HZ LYS 38 16.533 14.717 -5.599 308 H CYS 39 HN CYS 39 11.680 18.034 -7.595 309 HA CYS 39 HA CYS 39 13.057 20.519 -6.885 310 1HB CYS 39 2HB CYS 39 11.333 21.614 -8.367 311 2HB CYS 39 3HB CYS 39 12.490 20.589 -9.193 312 H GLY 40 HN GLY 40 10.208 18.408 -6.466 313 1HA GLY 40 1HA GLY 40 9.027 18.321 -4.446 314 2HA GLY 40 2HA GLY 40 9.442 19.990 -4.114 315 H LYS 41 HN LYS 41 8.472 19.206 -7.405 316 HA LYS 41 HA LYS 41 6.034 20.737 -6.969 317 1HB LYS 41 2HB LYS 41 7.985 20.790 -8.948 318 2HB LYS 41 3HB LYS 41 6.659 19.942 -9.716 319 1HG LYS 41 2HG LYS 41 6.282 22.285 -10.123 320 2HG LYS 41 3HG LYS 41 5.106 21.803 -8.918 321 1HD LYS 41 2HD LYS 41 7.546 22.613 -7.570 322 2HD LYS 41 3HD LYS 41 7.093 23.861 -8.714 323 1HE LYS 41 2HE LYS 41 4.845 22.735 -7.089 324 2HE LYS 41 3HE LYS 41 6.038 23.648 -6.187 325 1HZ LYS 41 1HZ LYS 41 4.321 24.600 -8.386 326 2HZ LYS 41 2HZ LYS 41 4.565 25.278 -6.925 327 H GLU 42 HN GLU 42 4.036 19.830 -6.926 328 HA GLU 42 HA GLU 42 3.946 16.976 -7.215 329 1HB GLU 42 2HB GLU 42 1.709 17.160 -6.224 330 2HB GLU 42 3HB GLU 42 2.857 18.085 -5.277 331 1HG GLU 42 2HG GLU 42 2.149 20.164 -6.559 332 2HG GLU 42 3HG GLU 42 0.914 19.204 -7.351 333 HE2 GLU 42 HE2 GLU 42 1.104 21.307 -5.023 334 H GLY 43 HN GLY 43 3.270 15.931 -9.041 335 1HA GLY 43 1HA GLY 43 1.276 16.028 -10.627 336 2HA GLY 43 2HA GLY 43 1.957 17.567 -11.116 337 H HIS 44 HN HIS 44 4.736 17.042 -11.052 338 HA HIS 44 HA HIS 44 4.904 15.088 -13.219 339 1HB HIS 44 2HB HIS 44 6.667 16.329 -14.126 340 2HB HIS 44 3HB HIS 44 5.496 17.527 -13.615 341 HD1 HIS 44 HD1 HIS 44 6.280 19.307 -11.991 342 HD2 HIS 44 HD2 HIS 44 8.967 16.102 -12.311 343 HE1 HIS 44 HE1 HIS 44 8.372 19.997 -10.702 344 H GLN 45 HN GLN 45 7.271 14.090 -13.339 345 HA GLN 45 HA GLN 45 7.985 13.349 -10.609 346 1HB GLN 45 2HB GLN 45 8.513 11.060 -11.493 347 2HB GLN 45 3HB GLN 45 6.812 11.467 -11.603 348 1HG GLN 45 2HG GLN 45 6.820 11.426 -13.893 349 2HG GLN 45 3HG GLN 45 8.344 12.285 -14.000 350 1HE2 GLN 45 1HE2 GLN 45 7.108 9.737 -15.174 351 2HE2 GLN 45 2HE2 GLN 45 8.346 8.534 -15.026 352 H MET 46 HN MET 46 10.302 12.429 -10.478 353 HA MET 46 HA MET 46 12.067 14.295 -11.338 354 1HB MET 46 2HB MET 46 12.576 12.672 -9.556 355 2HB MET 46 3HB MET 46 12.436 11.326 -10.670 356 1HG MET 46 2HG MET 46 14.439 13.443 -11.397 357 2HG MET 46 3HG MET 46 14.825 12.458 -10.000 358 1HE MET 46 3HE MET 46 15.170 13.135 -13.234 359 2HE MET 46 1HE MET 46 16.520 11.980 -13.333 360 3HE MET 46 2HE MET 46 15.043 11.708 -14.289 361 H LYS 47 HN LYS 47 11.337 11.077 -12.848 362 HA LYS 47 HA LYS 47 13.202 11.186 -14.870 363 1HB LYS 47 2HB LYS 47 11.573 9.308 -14.097 364 2HB LYS 47 3HB LYS 47 10.459 10.000 -15.259 365 1HG LYS 47 2HG LYS 47 13.207 9.653 -16.325 366 2HG LYS 47 3HG LYS 47 12.454 8.146 -15.844 367 1HD LYS 47 2HD LYS 47 10.956 10.161 -17.561 368 2HD LYS 47 3HD LYS 47 12.061 9.009 -18.284 369 1HE LYS 47 2HE LYS 47 10.164 7.789 -16.347 370 2HE LYS 47 3HE LYS 47 9.380 8.522 -17.733 371 1HZ LYS 47 1HZ LYS 47 9.937 6.294 -18.330 372 2HZ LYS 47 2HZ LYS 47 11.002 7.223 -19.138 373 H ASP 48 HN ASP 48 10.123 12.909 -14.470 374 HA ASP 48 HA ASP 48 10.603 14.082 -17.097 375 1HB ASP 48 2HB ASP 48 8.282 12.832 -16.088 376 2HB ASP 48 3HB ASP 48 7.930 14.542 -15.946 377 HD2 ASP 48 HD2 ASP 48 7.772 12.808 -19.478 378 H CYS 49 HN CYS 49 11.888 14.890 -14.579 379 HA CYS 49 HA CYS 49 10.601 16.846 -13.171 380 1HB CYS 49 2HB CYS 49 12.832 15.847 -12.633 381 2HB CYS 49 3HB CYS 49 13.548 16.823 -13.900 382 H THR 50 HN THR 50 9.547 18.625 -13.987 383 HA THR 50 HA THR 50 10.286 19.683 -16.559 384 HB THR 50 HB THR 50 7.911 19.411 -15.705 385 HG1 THR 50 HG1 THR 50 8.844 21.128 -17.262 386 1HG2 THR 50 2HG2 THR 50 8.526 20.301 -13.322 387 2HG2 THR 50 3HG2 THR 50 8.504 21.916 -14.070 388 3HG2 THR 50 1HG2 THR 50 7.029 20.920 -14.060 389 H GLU 51 HN GLU 51 11.790 19.919 -13.651 390 HA GLU 51 HA GLU 51 12.987 22.381 -14.459 391 1HB GLU 51 2HB GLU 51 10.883 22.596 -12.661 392 2HB GLU 51 3HB GLU 51 12.264 22.503 -11.586 393 1HG GLU 51 2HG GLU 51 13.204 24.262 -13.506 394 2HG GLU 51 3HG GLU 51 11.495 24.652 -13.499 395 HE2 GLU 51 HE2 GLU 51 12.882 26.621 -12.496 396 H ARG 52 HN ARG 52 14.483 20.372 -14.748 397 HA ARG 52 HA ARG 52 15.451 19.013 -12.584 398 1HB ARG 52 2HB ARG 52 17.486 18.609 -14.052 399 2HB ARG 52 3HB ARG 52 15.960 18.287 -14.853 400 1HG ARG 52 2HG ARG 52 16.150 20.114 -16.275 401 2HG ARG 52 3HG ARG 52 17.001 21.088 -15.094 402 1HD ARG 52 2HD ARG 52 19.033 19.567 -15.423 403 2HD ARG 52 3HD ARG 52 18.169 18.794 -16.739 404 HE ARG 52 HE ARG 52 19.278 21.534 -16.731 405 1HH1 ARG 52 2HH2 ARG 52 17.219 19.177 -18.394 406 2HH1 ARG 52 1HH2 ARG 52 17.283 20.007 -19.913 407 HH2 ARG 52 HH1 ARG 52 18.551 22.033 -20.091 408 H GLN 53 HN GLN 53 17.187 19.361 -11.110 409 HA GLN 53 HA GLN 53 19.085 21.324 -11.384 410 1HB GLN 53 2HB GLN 53 16.762 22.633 -10.944 411 2HB GLN 53 3HB GLN 53 17.182 22.299 -9.276 412 1HG GLN 53 2HG GLN 53 19.598 23.180 -10.484 413 2HG GLN 53 3HG GLN 53 18.359 24.243 -11.118 414 1HE2 GLN 53 2HE2 GLN 53 17.631 25.908 -8.126 415 2HE2 GLN 53 1HE2 GLN 53 17.158 25.547 -9.752 416 H ALA 54 HN ALA 54 20.543 21.385 -9.514 417 HA ALA 54 HA ALA 54 20.515 18.943 -8.085 418 1HB ALA 54 3HB ALA 54 22.219 21.435 -8.149 419 2HB ALA 54 1HB ALA 54 22.473 20.211 -6.881 420 3HB ALA 54 2HB ALA 54 22.644 19.766 -8.596 421 H ASN 55 HN ASN 55 20.310 22.405 -6.973 422 HA ASN 55 HA ASN 55 19.595 23.245 -5.088 423 1HB ASN 55 2HB ASN 55 17.447 22.759 -6.373 424 2HB ASN 55 3HB ASN 55 17.287 21.268 -5.469 425 1HD2 ASN 55 2HD2 ASN 55 15.319 22.945 -3.157 426 2HD2 ASN 55 1HD2 ASN 55 15.493 21.693 -4.341 427 1H5* G 201 1H5* G 201 0.344 -22.219 -2.559 428 2H5* G 201 2H5* G 201 0.618 -20.639 -1.824 429 H4* G 201 H4* G 201 1.645 -22.348 -0.478 430 H3* G 201 H3* G 201 3.748 -20.741 -1.975 431 1H2* G 201 1H2* G 201 5.260 -21.609 -0.414 432 2HO* G 201 2HO* G 201 4.116 -21.105 1.434 433 H1* G 201 H1* G 201 4.051 -24.140 -0.196 434 H8 G 201 H8 G 201 4.850 -22.031 -3.312 435 H1 G 201 H1 G 201 8.391 -27.396 -2.565 436 1H2 G 201 1H2 G 201 7.812 -28.370 -0.842 437 2H2 G 201 2H2 G 201 6.554 -27.814 0.240 438 1H5* G 202 1H5* G 202 4.165 -19.062 1.562 439 2H5* G 202 2H5* G 202 4.892 -17.456 1.586 440 H4* G 202 H4* G 202 6.467 -19.231 2.232 441 H3* G 202 H3* G 202 7.170 -17.808 -0.360 442 1H2* G 202 1H2* G 202 9.333 -18.673 -0.038 443 2HO* G 202 2HO* G 202 9.986 -19.007 2.068 444 H1* G 202 H1* G 202 8.504 -21.175 0.889 445 H8 G 202 H8 G 202 6.726 -19.322 -1.955 446 H1 G 202 H1 G 202 10.840 -23.963 -3.805 447 1H2 G 202 1H2 G 202 11.785 -24.746 -2.148 448 2H2 G 202 2H2 G 202 11.506 -24.221 -0.502 449 1H5* A 203 1H5* A 203 9.488 -16.767 2.452 450 2H5* A 203 2H5* A 203 10.306 -15.235 2.758 451 H4* A 203 H4* A 203 12.026 -16.747 2.308 452 H3* A 203 H3* A 203 11.420 -15.119 -0.160 453 1H2* A 203 1H2* A 203 13.229 -16.137 -1.248 454 2HO* A 203 2HO* A 203 14.819 -17.196 0.131 455 H1* A 203 H1* A 203 12.764 -18.704 -0.125 456 H8 A 203 H8 A 203 9.959 -16.573 -1.596 457 1H6 A 203 1H6 A 203 10.601 -20.094 -6.708 458 2H6 A 203 2H6 A 203 9.652 -18.821 -5.974 459 H2 A 203 H2 A 203 13.764 -21.257 -3.813 460 1H5* C 204 1H5* C 204 15.500 -14.159 0.681 461 2H5* C 204 2H5* C 204 16.016 -12.808 -0.329 462 H4* C 204 H4* C 204 16.455 -15.476 -0.835 463 H3* C 204 H3* C 204 16.609 -13.015 -2.551 464 1H2* C 204 1H2* C 204 16.269 -14.325 -4.382 465 2HO* C 204 2HO* C 204 18.388 -15.786 -3.088 466 H1* C 204 H1* C 204 16.300 -16.987 -3.213 467 1H4 C 204 1H4 C 204 10.761 -16.888 -6.349 468 2H4 C 204 2H4 C 204 10.170 -15.616 -5.304 469 H5 C 204 H5 C 204 11.469 -14.586 -3.622 470 H6 C 204 H6 C 204 13.677 -14.522 -2.518 471 1H5* U 205 1H5* U 205 20.821 -13.959 -3.487 472 2H5* U 205 2H5* U 205 21.244 -12.422 -4.242 473 H4* U 205 H4* U 205 20.778 -14.338 -5.808 474 H3* U 205 H3* U 205 18.877 -12.010 -6.250 475 1H2* U 205 1H2* U 205 19.065 -12.738 -8.489 476 2HO* U 205 2HO* U 205 20.961 -14.053 -8.998 477 H1* U 205 H1* U 205 19.136 -15.451 -7.883 478 H3 U 205 H3 U 205 14.900 -15.383 -9.338 479 H5 U 205 H5 U 205 14.758 -12.855 -6.001 480 H6 U 205 H6 U 205 17.185 -13.144 -5.803 481 1H5* A 206 1H5* A 206 21.062 -11.573 -8.955 482 2H5* A 206 2H5* A 206 21.833 -10.032 -9.331 483 H4* A 206 H4* A 206 20.740 -10.584 -11.299 484 H3* A 206 H3* A 206 19.030 -8.676 -9.716 485 1H2* A 206 1H2* A 206 17.407 -8.717 -11.378 486 2HO* A 206 2HO* A 206 18.836 -10.028 -13.335 487 H1* A 206 H1* A 206 17.956 -11.449 -12.146 488 H8 A 206 H8 A 206 17.121 -10.463 -8.569 489 1H6 A 206 1H6 A 206 11.289 -12.238 -9.908 490 2H6 A 206 2H6 A 206 12.344 -11.689 -8.626 491 H2 A 206 H2 A 206 13.695 -12.440 -13.639 492 1H5* G 207 1H5* G 207 19.894 -7.307 -13.219 493 2H5* G 207 2H5* G 207 19.866 -5.647 -13.814 494 H4* G 207 H4* G 207 17.901 -6.672 -14.613 495 H3* G 207 H3* G 207 17.117 -5.061 -12.155 496 1H2* G 207 1H2* G 207 14.946 -5.251 -12.971 497 2HO* G 207 2HO* G 207 16.316 -5.787 -15.448 498 H1* G 207 H1* G 207 15.427 -7.777 -14.279 499 H8 G 207 H8 G 207 16.202 -7.208 -10.598 500 H1 G 207 H1 G 207 10.428 -9.879 -11.788 501 1H2 G 207 1H2 G 207 10.091 -9.911 -13.822 502 2H2 G 207 2H2 G 207 11.205 -9.304 -15.026 503 1H5* C 208 1H5* C 208 17.475 -2.030 -15.662 504 2H5* C 208 2H5* C 208 17.375 -0.351 -15.131 505 H4* C 208 H4* C 208 15.508 -0.820 -16.548 506 H3* C 208 H3* C 208 14.945 -0.307 -13.678 507 1H2* C 208 1H2* C 208 12.659 -0.837 -13.860 508 2HO* C 208 2HO* C 208 12.470 -1.420 -16.501 509 H1* C 208 H1* C 208 13.172 -3.113 -15.523 510 1H4 C 208 1H4 C 208 11.830 -5.779 -9.902 511 2H4 C 208 2H4 C 208 13.258 -5.058 -9.194 512 H5 C 208 H5 C 208 14.700 -3.587 -10.349 513 H6 C 208 H6 C 208 15.132 -2.437 -12.491 514 1H5* G 209 1H5* G 209 12.668 1.788 -16.073 515 2H5* G 209 2H5* G 209 11.829 3.334 -15.958 516 H4* G 209 H4* G 209 10.445 1.647 -14.989 517 H3* G 209 H3* G 209 11.705 3.178 -12.680 518 1H2* G 209 1H2* G 209 9.869 2.386 -11.506 519 2HO* G 209 2HO* G 209 8.037 1.713 -13.206 520 H1* G 209 H1* G 209 9.458 0.067 -13.146 521 H8 G 209 H8 G 209 12.801 0.996 -11.548 522 H1 G 209 H1 G 209 9.347 -3.436 -8.337 523 1H2 G 209 1H2 G 209 7.514 -3.675 -9.252 524 2H2 G 209 2H2 G 209 6.991 -2.805 -10.677 525 1H5* G 210 1H5* G 210 10.873 6.210 -10.685 526 2H5* G 210 2H5* G 210 10.574 4.649 -11.451 527 H4* G 210 H4* G 210 8.483 4.851 -10.722 528 H3* G 210 H3* G 210 8.487 6.211 -13.214 529 1H2* G 210 1H2* G 210 7.764 8.275 -12.552 530 2HO* G 210 2HO* G 210 5.703 7.676 -12.977 531 H1* G 210 H1* G 210 6.866 7.656 -9.824 532 H8 G 210 H8 G 210 10.192 8.514 -11.555 533 H1 G 210 H1 G 210 8.226 12.690 -7.020 534 1H2 G 210 1H2 G 210 6.440 12.044 -6.215 535 2H2 G 210 2H2 G 210 5.601 10.586 -6.698 536 1H5* A 211 1H5* A 211 7.681 1.758 -11.033 537 2H5* A 211 2H5* A 211 6.174 2.180 -11.845 538 H4* A 211 H4* A 211 6.447 0.533 -9.652 539 H3* A 211 H3* A 211 4.361 1.258 -11.334 540 1H2* A 211 1H2* A 211 3.605 3.023 -9.932 541 2HO* A 211 2HO* A 211 2.430 0.690 -8.756 542 H1* A 211 H1* A 211 4.080 1.209 -7.522 543 H8 A 211 H8 A 211 5.236 4.719 -8.547 544 1H6 A 211 1H6 A 211 2.470 6.622 -3.286 545 2H6 A 211 2H6 A 211 3.420 7.147 -4.658 546 H2 A 211 H2 A 211 1.764 2.257 -3.727 547 1H5* G 212 1H5* G 212 2.763 -3.335 -8.787 548 2H5* G 212 2H5* G 212 3.561 -1.777 -8.562 549 H4* G 212 H4* G 212 5.216 -4.239 -9.008 550 H3* G 212 H3* G 212 3.499 -3.852 -6.676 551 1H2* G 212 1H2* G 212 5.107 -3.295 -5.163 552 2HO* G 212 2HO* G 212 6.743 -5.118 -6.680 553 H1* G 212 H1* G 212 7.302 -2.934 -7.087 554 H8 G 212 H8 G 212 4.188 -0.916 -6.071 555 H1 G 212 H1 G 212 9.887 1.871 -4.787 556 1H2 G 212 1H2 G 212 11.415 0.622 -5.387 557 2H2 G 212 2H2 G 212 11.186 -0.946 -6.127 558 1H5* G 213 1H5* G 213 2.049 -5.192 -8.878 559 2H5* G 213 2H5* G 213 1.009 -6.570 -9.244 560 H4* G 213 H4* G 213 2.015 -5.956 -11.279 561 H3* G 213 H3* G 213 3.507 -8.342 -10.138 562 1H2* G 213 1H2* G 213 4.696 -8.386 -12.096 563 2HO* G 213 2HO* G 213 3.330 -7.538 -14.025 564 H1* G 213 H1* G 213 4.471 -5.790 -13.026 565 H8 G 213 H8 G 213 4.985 -6.634 -9.318 566 H1 G 213 H1 G 213 10.278 -4.696 -12.500 567 1H2 G 213 1H2 G 213 9.815 -4.396 -14.487 568 2H2 G 213 2H2 G 213 8.230 -4.633 -15.186 569 1H5* C 214 1H5* C 214 1.672 -9.863 -13.737 570 2H5* C 214 2H5* C 214 1.693 -11.624 -13.659 571 H4* C 214 H4* C 214 3.156 -10.739 -15.419 572 H3* C 214 H3* C 214 4.513 -12.224 -13.156 573 1H2* C 214 1H2* C 214 6.470 -12.251 -14.477 574 2HO* C 214 2HO* C 214 5.985 -11.319 -16.778 575 H1* C 214 H1* C 214 6.301 -9.607 -15.291 576 1H4 C 214 1H4 C 214 9.720 -8.981 -9.967 577 2H4 C 214 2H4 C 214 8.385 -9.569 -9.001 578 H5 C 214 H5 C 214 6.328 -10.299 -9.905 579 H6 C 214 H6 C 214 5.034 -10.648 -11.980 580 1H5* U 215 1H5* U 215 5.006 -14.017 -16.395 581 2H5* U 215 2H5* U 215 5.198 -15.737 -16.734 582 H4* U 215 H4* U 215 7.285 -14.643 -17.126 583 H3* U 215 H3* U 215 7.425 -16.174 -14.502 584 1H2* U 215 1H2* U 215 9.699 -15.850 -14.647 585 2HO* U 215 2HO* U 215 10.604 -15.878 -16.838 586 H1* U 215 H1* U 215 9.772 -13.555 -16.271 587 H3 U 215 H3 U 215 11.357 -11.670 -12.522 588 H5 U 215 H5 U 215 7.481 -12.809 -11.416 589 H6 U 215 H6 U 215 7.269 -13.863 -13.620 590 1H5* A 216 1H5* A 216 9.161 -18.103 -17.433 591 2H5* A 216 2H5* A 216 9.494 -19.825 -17.607 592 H4* A 216 H4* A 216 11.560 -18.630 -17.326 593 H3* A 216 H3* A 216 10.735 -20.479 -15.133 594 1H2* A 216 1H2* A 216 12.414 -19.786 -13.713 595 2HO* A 216 2HO* A 216 13.630 -18.903 -16.172 596 H1* A 216 H1* A 216 12.577 -17.132 -14.988 597 H8 A 216 H8 A 216 9.530 -18.270 -13.060 598 1H6 A 216 1H6 A 216 11.920 -15.141 -8.218 599 2H6 A 216 2H6 A 216 10.516 -16.019 -8.785 600 H2 A 216 H2 A 216 14.928 -15.152 -11.487 601 1H5* G 217 1H5* G 217 14.364 -21.286 -16.118 602 2H5* G 217 2H5* G 217 15.204 -22.819 -15.886 603 H4* G 217 H4* G 217 15.899 -21.453 -14.115 604 H3* G 217 H3* G 217 13.643 -23.142 -12.966 605 1H2* G 217 1H2* G 217 14.567 -22.567 -10.914 606 2HO* G 217 2HO* G 217 16.916 -22.106 -12.519 607 H1* G 217 H1* G 217 15.690 -20.082 -11.927 608 H8 G 217 H8 G 217 11.980 -20.874 -12.096 609 H1 G 217 H1 G 217 13.775 -17.366 -6.963 610 1H2 G 217 1H2 G 217 15.832 -17.230 -6.907 611 2H2 G 217 2H2 G 217 16.910 -17.959 -8.076 612 1H5* U 218 1H5* U 218 17.280 -24.750 -12.267 613 2H5* U 218 2H5* U 218 17.664 -26.423 -11.862 614 H4* U 218 H4* U 218 18.216 -25.129 -9.969 615 H3* U 218 H3* U 218 15.612 -26.608 -9.577 616 1H2* U 218 1H2* U 218 15.498 -25.802 -7.405 617 2HO* U 218 2HO* U 218 17.416 -26.145 -6.453 618 H1* U 218 H1* U 218 16.944 -23.356 -8.062 619 H3 U 218 H3 U 218 13.339 -21.613 -5.969 620 H5 U 218 H5 U 218 11.725 -23.348 -9.422 621 H6 U 218 H6 U 218 13.950 -24.273 -9.879 622 1H5* C 219 1H5* C 219 18.212 -28.060 -6.432 623 2H5* C 219 2H5* C 219 17.712 -29.688 -5.977 624 H4* C 219 H4* C 219 17.498 -28.106 -4.125 625 H3* C 219 H3* C 219 14.990 -29.393 -5.184 626 1H2* C 219 1H2* C 219 13.711 -28.278 -3.601 627 2HO* C 219 2HO* C 219 15.258 -29.069 -1.995 628 H1* C 219 H1* C 219 15.421 -25.953 -3.509 629 1H4 C 219 1H4 C 219 10.150 -23.776 -6.346 630 2H4 C 219 2H4 C 219 10.478 -24.770 -7.748 631 H5 C 219 H5 C 219 12.271 -26.300 -7.887 632 H6 C 219 H6 C 219 14.212 -27.264 -6.701 633 1H5* C 220 1H5* C 220 15.016 -31.479 -1.120 634 2H5* C 220 2H5* C 220 14.997 -33.162 -1.649 635 H4* C 220 H4* C 220 13.183 -32.978 -0.195 636 H3* C 220 H3* C 220 12.415 -33.070 -3.051 637 1H2* C 220 1H2* C 220 10.163 -32.507 -2.678 638 2HO* C 220 2HO* C 220 9.543 -33.550 -0.874 639 H1* C 220 H1* C 220 10.858 -30.525 -0.705 640 1H4 C 220 1H4 C 220 9.154 -26.897 -5.641 641 2H4 C 220 2H4 C 220 10.378 -27.637 -6.648 642 H5 C 220 H5 C 220 11.788 -29.390 -5.931 643 H6 C 220 H6 C 220 12.378 -30.879 -4.051 No H/Q in entry = 643 Start of MODEL 15 1 H MET 1 HN MET 1 -0.759 -12.468 1.510 2 HA MET 1 HA MET 1 -1.442 -9.705 1.544 3 1HB MET 1 2HB MET 1 -3.295 -10.901 2.876 4 2HB MET 1 3HB MET 1 -2.063 -11.432 4.002 5 1HG MET 1 2HG MET 1 -1.927 -9.377 5.007 6 2HG MET 1 3HG MET 1 -1.924 -8.525 3.476 7 1HE MET 1 2HE MET 1 -3.742 -8.224 2.026 8 2HE MET 1 3HE MET 1 -5.454 -8.039 2.475 9 3HE MET 1 1HE MET 1 -4.254 -6.849 3.031 10 H GLN 2 HN GLN 2 0.995 -10.873 0.983 11 HA GLN 2 HA GLN 2 2.464 -10.256 3.421 12 1HB GLN 2 2HB GLN 2 2.378 -12.779 2.069 13 2HB GLN 2 3HB GLN 2 3.966 -12.101 1.771 14 1HG GLN 2 2HG GLN 2 2.659 -12.483 4.506 15 2HG GLN 2 3HG GLN 2 3.981 -13.431 3.852 16 1HE2 GLN 2 2HE2 GLN 2 4.608 -9.920 5.768 17 2HE2 GLN 2 1HE2 GLN 2 3.071 -10.703 5.611 18 H LYS 3 HN LYS 3 2.532 -10.578 -0.184 19 HA LYS 3 HA LYS 3 3.335 -9.163 -1.705 20 1HB LYS 3 2HB LYS 3 3.045 -7.451 0.396 21 2HB LYS 3 3HB LYS 3 4.772 -7.337 0.128 22 1HG LYS 3 2HG LYS 3 3.935 -5.698 -1.341 23 2HG LYS 3 3HG LYS 3 4.156 -7.071 -2.408 24 1HD LYS 3 2HD LYS 3 1.509 -7.088 -1.099 25 2HD LYS 3 3HD LYS 3 1.775 -5.632 -2.038 26 1HE LYS 3 2HE LYS 3 2.552 -7.172 -3.964 27 2HE LYS 3 3HE LYS 3 1.937 -8.515 -3.019 28 1HZ LYS 3 1HZ LYS 3 0.355 -7.381 -4.682 29 2HZ LYS 3 2HZ LYS 3 -0.245 -7.716 -3.206 30 H GLY 4 HN GLY 4 4.542 -11.345 -1.820 31 1HA GLY 4 1HA GLY 4 7.120 -11.658 -0.800 32 2HA GLY 4 2HA GLY 4 6.457 -12.449 -2.217 33 H ASN 5 HN ASN 5 5.873 -9.859 -3.633 34 HA ASN 5 HA ASN 5 8.192 -9.682 -5.065 35 1HB ASN 5 2HB ASN 5 5.723 -8.789 -5.512 36 2HB ASN 5 3HB ASN 5 6.315 -7.305 -4.793 37 1HD2 ASN 5 2HD2 ASN 5 7.951 -6.171 -7.614 38 2HD2 ASN 5 1HD2 ASN 5 7.289 -5.892 -6.037 39 H PHE 6 HN PHE 6 7.394 -8.444 -1.933 40 HA PHE 6 HA PHE 6 8.718 -6.014 -1.876 41 1HB PHE 6 2HB PHE 6 7.265 -6.822 -0.060 42 2HB PHE 6 3HB PHE 6 8.214 -8.282 0.127 43 HD1 PHE 6 HD2 PHE 6 10.378 -8.219 1.281 44 HD2 PHE 6 HD1 PHE 6 7.966 -4.744 0.948 45 HE1 PHE 6 HE2 PHE 6 11.722 -7.113 3.090 46 HE2 PHE 6 HE1 PHE 6 9.309 -3.638 2.758 47 HZ PHE 6 HZ PHE 6 11.171 -4.836 3.807 48 H ARG 7 HN ARG 7 9.992 -9.178 -2.374 49 HA ARG 7 HA ARG 7 12.339 -9.084 -0.994 50 1HB ARG 7 2HB ARG 7 13.112 -10.805 -2.507 51 2HB ARG 7 3HB ARG 7 11.378 -11.019 -2.370 52 1HG ARG 7 2HG ARG 7 11.777 -9.154 -4.499 53 2HG ARG 7 3HG ARG 7 12.962 -10.423 -4.740 54 1HD ARG 7 2HD ARG 7 11.181 -12.150 -4.626 55 2HD ARG 7 3HD ARG 7 9.979 -10.921 -4.283 56 HE ARG 7 HE ARG 7 11.174 -10.068 -6.658 57 1HH1 ARG 7 2HH2 ARG 7 9.504 -13.012 -5.614 58 2HH1 ARG 7 1HH2 ARG 7 8.906 -13.383 -7.197 59 HH2 ARG 7 HH1 ARG 7 9.438 -11.926 -9.024 60 H ASN 8 HN ASN 8 11.247 -7.097 -3.617 61 HA ASN 8 HA ASN 8 13.527 -6.616 -5.019 62 1HB ASN 8 2HB ASN 8 12.493 -4.320 -5.447 63 2HB ASN 8 3HB ASN 8 11.403 -5.662 -5.735 64 1HD2 ASN 8 2HD2 ASN 8 10.025 -2.795 -3.545 65 2HD2 ASN 8 1HD2 ASN 8 11.070 -2.777 -4.927 66 H GLN 9 HN GLN 9 12.731 -5.909 -1.699 67 HA GLN 9 HA GLN 9 14.142 -3.568 -1.310 68 1HB GLN 9 2HB GLN 9 13.614 -5.875 0.616 69 2HB GLN 9 3HB GLN 9 14.188 -4.292 1.104 70 1HG GLN 9 2HG GLN 9 11.790 -4.176 -0.638 71 2HG GLN 9 3HG GLN 9 11.512 -5.039 0.861 72 1HE2 GLN 9 2HE2 GLN 9 12.365 -2.232 2.990 73 2HE2 GLN 9 1HE2 GLN 9 12.672 -3.927 2.808 74 H ARG 10 HN ARG 10 15.264 -6.662 -2.234 75 HA ARG 10 HA ARG 10 17.653 -6.724 -0.794 76 1HB ARG 10 2HB ARG 10 18.324 -8.468 -2.423 77 2HB ARG 10 3HB ARG 10 16.663 -8.718 -1.919 78 1HG ARG 10 2HG ARG 10 15.826 -8.289 -4.012 79 2HG ARG 10 3HG ARG 10 16.912 -6.942 -4.281 80 1HD ARG 10 2HD ARG 10 18.417 -9.452 -4.211 81 2HD ARG 10 3HD ARG 10 17.118 -9.556 -5.382 82 HE ARG 10 HE ARG 10 18.117 -7.817 -6.657 83 1HH1 ARG 10 2HH2 ARG 10 19.862 -8.300 -3.611 84 2HH1 ARG 10 1HH2 ARG 10 21.228 -7.356 -4.101 85 HH2 ARG 10 HH1 ARG 10 21.242 -6.349 -6.276 86 H LYS 11 HN LYS 11 16.559 -4.563 -3.149 87 HA LYS 11 HA LYS 11 19.321 -3.917 -3.901 88 1HB LYS 11 2HB LYS 11 18.202 -4.954 -5.813 89 2HB LYS 11 3HB LYS 11 16.868 -3.826 -5.683 90 1HG LYS 11 2HG LYS 11 18.198 -1.969 -6.359 91 2HG LYS 11 3HG LYS 11 19.701 -2.780 -5.970 92 1HD LYS 11 2HD LYS 11 19.823 -3.253 -8.197 93 2HD LYS 11 3HD LYS 11 18.640 -4.501 -7.862 94 1HE LYS 11 2HE LYS 11 17.567 -3.336 -9.586 95 2HE LYS 11 3HE LYS 11 16.873 -2.549 -8.183 96 1HZ LYS 11 1HZ LYS 11 19.204 -1.166 -8.700 97 2HZ LYS 11 2HZ LYS 11 18.564 -1.421 -10.176 98 H THR 12 HN THR 12 18.008 -2.972 -1.568 99 HA THR 12 HA THR 12 17.085 -1.125 -0.622 100 HB THR 12 HB THR 12 19.678 -0.905 -1.056 101 HG1 THR 12 HG1 THR 12 17.778 1.288 -0.620 102 1HG2 THR 12 3HG2 THR 12 18.969 0.152 -3.469 103 2HG2 THR 12 1HG2 THR 12 18.900 1.628 -2.477 104 3HG2 THR 12 2HG2 THR 12 20.413 0.695 -2.580 105 H VAL 13 HN VAL 13 15.339 -1.775 -2.597 106 HA VAL 13 HA VAL 13 14.839 -0.195 -4.675 107 HB VAL 13 HB VAL 13 12.404 -0.416 -4.051 108 1HG1 VAL 13 1HG1 VAL 13 14.388 -2.538 -4.504 109 2HG1 VAL 13 2HG1 VAL 13 12.866 -3.121 -3.789 110 3HG1 VAL 13 3HG1 VAL 13 12.839 -2.217 -5.323 111 1HG2 VAL 13 1HG2 VAL 13 13.611 -1.725 -1.594 112 2HG2 VAL 13 2HG2 VAL 13 12.521 -0.319 -1.649 113 3HG2 VAL 13 3HG2 VAL 13 11.921 -1.930 -2.110 114 H LYS 14 HN LYS 14 13.611 1.798 -5.060 115 HA LYS 14 HA LYS 14 14.092 3.710 -2.890 116 1HB LYS 14 2HB LYS 14 14.470 5.357 -4.497 117 2HB LYS 14 3HB LYS 14 15.254 3.941 -5.167 118 1HG LYS 14 2HG LYS 14 12.711 3.641 -6.190 119 2HG LYS 14 3HG LYS 14 12.822 5.388 -6.114 120 1HD LYS 14 2HD LYS 14 15.301 4.221 -7.169 121 2HD LYS 14 3HD LYS 14 13.915 3.706 -8.109 122 1HE LYS 14 2HE LYS 14 14.286 5.709 -9.194 123 2HE LYS 14 3HE LYS 14 13.283 6.333 -7.900 124 1HZ LYS 14 1HZ LYS 14 15.059 7.639 -7.466 125 2HZ LYS 14 2HZ LYS 14 15.767 6.335 -6.794 126 H CYS 15 HN CYS 15 12.413 4.838 -1.983 127 HA CYS 15 HA CYS 15 9.822 3.849 -2.413 128 1HB CYS 15 2HB CYS 15 10.596 4.719 -0.239 129 2HB CYS 15 3HB CYS 15 10.723 6.331 -0.914 130 H PHE 16 HN PHE 16 8.620 4.288 -4.231 131 HA PHE 16 HA PHE 16 9.247 6.527 -5.871 132 1HB PHE 16 2HB PHE 16 7.335 4.184 -5.744 133 2HB PHE 16 3HB PHE 16 6.833 5.522 -6.759 134 HD1 PHE 16 HD1 PHE 16 9.479 6.388 -7.835 135 HD2 PHE 16 HD2 PHE 16 7.840 2.512 -7.293 136 HE1 PHE 16 HE1 PHE 16 10.920 5.519 -9.697 137 HE2 PHE 16 HE2 PHE 16 9.282 1.642 -9.154 138 HZ PHE 16 HZ PHE 16 10.805 3.156 -10.334 139 H ASN 17 HN ASN 17 7.803 6.496 -2.924 140 HA ASN 17 HA ASN 17 5.602 8.209 -3.677 141 1HB ASN 17 2HB ASN 17 5.589 6.303 -1.832 142 2HB ASN 17 3HB ASN 17 6.389 7.493 -0.824 143 1HD2 ASN 17 2HD2 ASN 17 3.124 8.299 0.201 144 2HD2 ASN 17 1HD2 ASN 17 4.579 7.430 0.555 145 H CYS 18 HN CYS 18 8.208 8.171 -1.113 146 HA CYS 18 HA CYS 18 8.172 11.042 -1.028 147 1HB CYS 18 2HB CYS 18 9.837 10.766 0.786 148 2HB CYS 18 3HB CYS 18 8.362 9.863 1.073 149 H GLY 19 HN GLY 19 10.270 8.321 -2.119 150 1HA GLY 19 1HA GLY 19 11.594 8.562 -4.068 151 2HA GLY 19 2HA GLY 19 11.824 10.261 -3.702 152 H LYS 20 HN LYS 20 11.978 7.763 -1.159 153 HA LYS 20 HA LYS 20 14.801 8.437 -0.824 154 1HB LYS 20 2HB LYS 20 12.754 8.437 0.983 155 2HB LYS 20 3HB LYS 20 13.409 6.832 1.237 156 1HG LYS 20 2HG LYS 20 15.748 7.999 1.302 157 2HG LYS 20 3HG LYS 20 14.856 9.498 1.472 158 1HD LYS 20 2HD LYS 20 14.177 9.019 3.624 159 2HD LYS 20 3HD LYS 20 13.968 7.311 3.295 160 1HE LYS 20 2HE LYS 20 15.838 7.296 4.722 161 2HE LYS 20 3HE LYS 20 16.596 7.245 3.143 162 1HZ LYS 20 1HZ LYS 20 16.792 9.281 5.104 163 2HZ LYS 20 2HZ LYS 20 17.640 9.132 3.722 164 H GLU 21 HN GLU 21 15.740 6.214 0.536 165 HA GLU 21 HA GLU 21 15.203 4.016 -1.287 166 1HB GLU 21 2HB GLU 21 17.690 5.555 -1.071 167 2HB GLU 21 3HB GLU 21 17.965 3.856 -0.742 168 1HG GLU 21 2HG GLU 21 17.242 3.176 -2.882 169 2HG GLU 21 3HG GLU 21 16.257 4.605 -3.121 170 HE2 GLU 21 HE2 GLU 21 17.975 4.325 -5.218 171 H GLY 22 HN GLY 22 14.930 2.082 -0.224 172 1HA GLY 22 1HA GLY 22 15.916 0.618 1.501 173 2HA GLY 22 2HA GLY 22 15.825 1.983 2.596 174 H HIS 23 HN HIS 23 13.202 1.956 0.347 175 HA HIS 23 HA HIS 23 11.518 0.102 1.568 176 1HB HIS 23 2HB HIS 23 10.194 1.328 3.036 177 2HB HIS 23 3HB HIS 23 11.829 1.808 3.449 178 HD1 HIS 23 HD1 HIS 23 12.568 4.257 2.842 179 HD2 HIS 23 HD2 HIS 23 8.567 3.362 1.954 180 HE1 HIS 23 HE1 HIS 23 11.419 6.490 2.390 181 H ILE 24 HN ILE 24 9.275 0.263 0.686 182 HA ILE 24 HA ILE 24 9.315 1.828 -1.799 183 HB ILE 24 HB ILE 24 8.028 0.136 -2.823 184 1HG1 ILE 24 2HG1 ILE 24 7.854 -1.307 -0.163 185 2HG1 ILE 24 3HG1 ILE 24 6.569 -0.329 -0.844 186 1HG2 ILE 24 3HG2 ILE 24 10.579 -0.431 -1.610 187 2HG2 ILE 24 1HG2 ILE 24 9.627 -1.927 -1.768 188 3HG2 ILE 24 2HG2 ILE 24 9.943 -0.919 -3.200 189 1HD1 ILE 24 3HD1 ILE 24 7.834 -2.702 -2.290 190 2HD1 ILE 24 1HD1 ILE 24 6.336 -2.795 -1.333 191 3HD1 ILE 24 2HD1 ILE 24 6.394 -1.786 -2.798 192 H ALA 25 HN ALA 25 7.152 2.614 -2.551 193 HA ALA 25 HA ALA 25 5.949 4.198 -0.679 194 1HB ALA 25 1HB ALA 25 5.768 4.474 -3.123 195 2HB ALA 25 2HB ALA 25 4.760 3.011 -3.219 196 3HB ALA 25 3HB ALA 25 4.158 4.452 -2.364 197 H LYS 26 HN LYS 26 5.266 0.798 -1.569 198 HA LYS 26 HA LYS 26 2.801 0.573 -0.298 199 1HB LYS 26 2HB LYS 26 4.914 -1.570 -0.666 200 2HB LYS 26 3HB LYS 26 3.204 -1.826 -0.390 201 1HG LYS 26 2HG LYS 26 3.930 -0.046 -2.696 202 2HG LYS 26 3HG LYS 26 4.310 -1.747 -2.877 203 1HD LYS 26 2HD LYS 26 1.641 -1.477 -1.747 204 2HD LYS 26 3HD LYS 26 1.762 -0.482 -3.185 205 1HE LYS 26 2HE LYS 26 2.615 -2.439 -4.481 206 2HE LYS 26 3HE LYS 26 2.531 -3.438 -3.045 207 1HZ LYS 26 1HZ LYS 26 0.542 -3.615 -4.516 208 2HZ LYS 26 2HZ LYS 26 0.149 -3.168 -3.000 209 H ASN 27 HN ASN 27 6.175 0.175 0.923 210 HA ASN 27 HA ASN 27 5.107 -0.319 3.549 211 1HB ASN 27 2HB ASN 27 7.920 -0.288 2.362 212 2HB ASN 27 3HB ASN 27 7.669 -0.409 4.092 213 1HD2 ASN 27 2HD2 ASN 27 6.298 -3.446 1.607 214 2HD2 ASN 27 1HD2 ASN 27 6.324 -1.793 1.092 215 H CYS 28 HN CYS 28 5.411 2.356 1.696 216 HA CYS 28 HA CYS 28 6.956 4.030 3.421 217 1HB CYS 28 2HB CYS 28 6.880 4.411 0.983 218 2HB CYS 28 3HB CYS 28 5.162 4.741 1.076 219 H ARG 29 HN ARG 29 6.156 5.405 5.039 220 HA ARG 29 HA ARG 29 3.582 4.784 5.992 221 1HB ARG 29 2HB ARG 29 4.131 6.503 7.758 222 2HB ARG 29 3HB ARG 29 5.387 5.296 7.568 223 1HG ARG 29 2HG ARG 29 6.885 6.945 7.165 224 2HG ARG 29 3HG ARG 29 6.017 7.354 5.699 225 1HD ARG 29 2HD ARG 29 4.876 9.129 6.692 226 2HD ARG 29 3HD ARG 29 4.844 8.372 8.272 227 HE ARG 29 HE ARG 29 7.016 10.024 7.159 228 1HH1 ARG 29 2HH2 ARG 29 6.076 7.730 9.690 229 2HH1 ARG 29 1HH2 ARG 29 7.356 8.195 10.760 230 HH2 ARG 29 HH1 ARG 29 8.888 9.907 10.082 231 H ALA 30 HN ALA 30 5.046 7.351 4.020 232 HA ALA 30 HA ALA 30 3.048 9.295 4.375 233 1HB ALA 30 2HB ALA 30 5.469 9.376 3.337 234 2HB ALA 30 3HB ALA 30 4.623 8.975 1.823 235 3HB ALA 30 1HB ALA 30 4.201 10.458 2.714 236 HA PRO 31 HA PRO 31 -0.130 7.698 1.913 237 1HB PRO 31 2HB PRO 31 -1.497 9.973 1.263 238 2HB PRO 31 3HB PRO 31 -1.661 9.165 2.809 239 1HG PRO 31 2HG PRO 31 -0.213 11.661 2.167 240 2HG PRO 31 3HG PRO 31 -0.744 11.072 3.729 241 1HD PRO 31 2HD PRO 31 1.929 11.010 2.690 242 2HD PRO 31 3HD PRO 31 1.375 10.317 4.203 243 H ARG 32 HN ARG 32 -1.062 7.434 -0.213 244 HA ARG 32 HA ARG 32 0.898 7.496 -2.105 245 1HB ARG 32 2HB ARG 32 -2.055 7.076 -2.058 246 2HB ARG 32 3HB ARG 32 -1.428 7.562 -3.622 247 1HG ARG 32 2HG ARG 32 -1.168 5.247 -3.772 248 2HG ARG 32 3HG ARG 32 0.409 5.699 -3.157 249 1HD ARG 32 2HD ARG 32 -1.087 5.424 -0.812 250 2HD ARG 32 3HD ARG 32 -1.756 4.167 -1.833 251 HE ARG 32 HE ARG 32 1.010 3.913 -2.143 252 1HH1 ARG 32 2HH2 ARG 32 -1.232 3.821 0.598 253 2HH1 ARG 32 1HH2 ARG 32 -0.244 2.746 1.531 254 HH2 ARG 32 HH1 ARG 32 1.838 1.982 0.622 255 H LYS 33 HN LYS 33 1.939 9.409 -2.678 256 HA LYS 33 HA LYS 33 0.189 11.596 -3.566 257 1HB LYS 33 2HB LYS 33 2.459 11.593 -1.668 258 2HB LYS 33 3HB LYS 33 2.504 12.864 -2.873 259 1HG LYS 33 2HG LYS 33 -0.137 12.355 -1.522 260 2HG LYS 33 3HG LYS 33 1.119 13.105 -0.557 261 1HD LYS 33 2HD LYS 33 1.184 15.040 -1.878 262 2HD LYS 33 3HD LYS 33 0.640 14.209 -3.322 263 1HE LYS 33 2HE LYS 33 -1.652 14.018 -2.383 264 2HE LYS 33 3HE LYS 33 -1.124 14.764 -0.887 265 1HZ LYS 33 1HZ LYS 33 -1.585 16.721 -1.863 266 2HZ LYS 33 2HZ LYS 33 -0.346 16.502 -2.897 267 H LYS 34 HN LYS 34 1.871 13.204 -4.911 268 HA LYS 34 HA LYS 34 3.478 11.519 -6.658 269 1HB LYS 34 2HB LYS 34 2.403 12.343 -8.671 270 2HB LYS 34 3HB LYS 34 1.241 11.506 -7.663 271 1HG LYS 34 2HG LYS 34 0.680 13.868 -6.682 272 2HG LYS 34 3HG LYS 34 1.551 14.505 -8.063 273 1HD LYS 34 2HD LYS 34 -0.250 14.175 -9.396 274 2HD LYS 34 3HD LYS 34 -0.244 12.461 -9.027 275 1HE LYS 34 2HE LYS 34 -2.209 12.785 -7.933 276 2HE LYS 34 3HE LYS 34 -1.299 13.624 -6.693 277 1HZ LYS 34 1HZ LYS 34 -1.964 15.650 -7.491 278 2HZ LYS 34 2HZ LYS 34 -1.988 15.194 -9.054 279 H GLY 35 HN GLY 35 4.573 13.085 -4.739 280 1HA GLY 35 1HA GLY 35 5.087 15.729 -5.868 281 2HA GLY 35 2HA GLY 35 5.576 15.125 -4.297 282 H CYS 36 HN CYS 36 6.754 16.051 -7.267 283 HA CYS 36 HA CYS 36 8.550 14.054 -7.941 284 1HB CYS 36 2HB CYS 36 8.135 15.764 -9.531 285 2HB CYS 36 3HB CYS 36 8.544 17.042 -8.403 286 H TRP 37 HN TRP 37 10.208 13.232 -6.714 287 HA TRP 37 HA TRP 37 11.121 14.723 -4.423 288 1HB TRP 37 2HB TRP 37 12.616 12.326 -4.923 289 2HB TRP 37 3HB TRP 37 11.554 12.727 -3.588 290 HD1 TRP 37 HD1 TRP 37 8.830 12.110 -4.037 291 HE1 TRP 37 HE1 TRP 37 7.676 10.133 -5.350 292 HE3 TRP 37 HE3 TRP 37 12.902 10.889 -6.826 293 HZ2 TRP 37 HZ2 TRP 37 8.576 8.321 -7.362 294 HZ3 TRP 37 HZ3 TRP 37 12.680 9.004 -8.442 295 HH2 TRP 37 HH2 TRP 37 10.610 7.736 -8.733 296 H LYS 38 HN LYS 38 11.595 16.065 -6.907 297 HA LYS 38 HA LYS 38 14.522 15.944 -6.941 298 1HB LYS 38 2HB LYS 38 12.960 15.003 -9.023 299 2HB LYS 38 3HB LYS 38 13.312 16.644 -9.524 300 1HG LYS 38 2HG LYS 38 15.362 14.538 -8.692 301 2HG LYS 38 3HG LYS 38 15.076 15.112 -10.322 302 1HD LYS 38 2HD LYS 38 16.276 17.041 -9.996 303 2HD LYS 38 3HD LYS 38 15.621 17.297 -8.390 304 1HE LYS 38 2HE LYS 38 17.718 16.718 -7.674 305 2HE LYS 38 3HE LYS 38 17.176 15.072 -7.935 306 1HZ LYS 38 1HZ LYS 38 18.796 16.734 -9.768 307 2HZ LYS 38 2HZ LYS 38 19.161 15.266 -9.163 308 H CYS 39 HN CYS 39 11.528 17.795 -7.793 309 HA CYS 39 HA CYS 39 13.068 20.226 -7.261 310 1HB CYS 39 2HB CYS 39 11.234 21.393 -8.515 311 2HB CYS 39 3HB CYS 39 12.189 20.286 -9.481 312 H GLY 40 HN GLY 40 10.227 18.217 -6.459 313 1HA GLY 40 1HA GLY 40 9.301 18.162 -4.316 314 2HA GLY 40 2HA GLY 40 9.853 19.799 -4.018 315 H LYS 41 HN LYS 41 8.343 18.993 -7.127 316 HA LYS 41 HA LYS 41 6.102 20.703 -6.367 317 1HB LYS 41 2HB LYS 41 7.763 20.693 -8.588 318 2HB LYS 41 3HB LYS 41 6.315 19.901 -9.180 319 1HG LYS 41 2HG LYS 41 5.709 22.120 -9.526 320 2HG LYS 41 3HG LYS 41 5.070 21.894 -7.909 321 1HD LYS 41 2HD LYS 41 7.199 22.830 -6.952 322 2HD LYS 41 3HD LYS 41 7.805 23.085 -8.577 323 1HE LYS 41 2HE LYS 41 6.778 25.107 -8.598 324 2HE LYS 41 3HE LYS 41 5.230 24.286 -8.561 325 1HZ LYS 41 1HZ LYS 41 6.793 25.216 -6.221 326 2HZ LYS 41 2HZ LYS 41 5.304 25.701 -6.667 327 H GLU 42 HN GLU 42 4.076 19.909 -6.070 328 HA GLU 42 HA GLU 42 3.797 17.063 -6.360 329 1HB GLU 42 2HB GLU 42 1.719 17.357 -5.071 330 2HB GLU 42 3HB GLU 42 3.054 18.167 -4.273 331 1HG GLU 42 2HG GLU 42 2.005 20.122 -6.025 332 2HG GLU 42 3HG GLU 42 0.588 19.310 -5.391 333 HE2 GLU 42 HE2 GLU 42 0.463 20.998 -2.762 334 H GLY 43 HN GLY 43 3.017 16.175 -8.219 335 1HA GLY 43 1HA GLY 43 0.740 16.402 -9.463 336 2HA GLY 43 2HA GLY 43 1.474 17.887 -10.035 337 H HIS 44 HN HIS 44 4.141 17.252 -10.439 338 HA HIS 44 HA HIS 44 3.889 15.270 -12.566 339 1HB HIS 44 2HB HIS 44 5.618 16.387 -13.696 340 2HB HIS 44 3HB HIS 44 4.582 17.651 -13.065 341 HD1 HIS 44 HD1 HIS 44 5.580 19.283 -11.341 342 HD2 HIS 44 HD2 HIS 44 8.172 16.157 -12.393 343 HE1 HIS 44 HE1 HIS 44 7.863 19.894 -10.380 344 H GLN 45 HN GLN 45 6.311 14.280 -13.007 345 HA GLN 45 HA GLN 45 7.294 13.424 -10.405 346 1HB GLN 45 2HB GLN 45 7.359 11.118 -11.081 347 2HB GLN 45 3HB GLN 45 5.749 11.701 -11.457 348 1HG GLN 45 2HG GLN 45 7.159 12.295 -13.793 349 2HG GLN 45 3HG GLN 45 7.895 10.788 -13.285 350 1HE2 GLN 45 2HE2 GLN 45 5.363 8.886 -14.649 351 2HE2 GLN 45 1HE2 GLN 45 7.040 9.162 -14.317 352 H MET 46 HN MET 46 9.540 12.346 -10.614 353 HA MET 46 HA MET 46 11.268 14.098 -11.763 354 1HB MET 46 2HB MET 46 11.574 12.097 -10.044 355 2HB MET 46 3HB MET 46 11.914 11.131 -11.466 356 1HG MET 46 2HG MET 46 13.820 12.515 -12.065 357 2HG MET 46 3HG MET 46 13.383 13.743 -10.893 358 1HE MET 46 1HE MET 46 15.451 11.315 -11.884 359 2HE MET 46 2HE MET 46 16.439 10.886 -10.467 360 3HE MET 46 3HE MET 46 15.075 9.849 -10.948 361 H LYS 47 HN LYS 47 9.853 11.087 -13.132 362 HA LYS 47 HA LYS 47 11.474 10.846 -15.354 363 1HB LYS 47 2HB LYS 47 9.863 9.153 -14.552 364 2HB LYS 47 3HB LYS 47 8.531 10.168 -15.070 365 1HG LYS 47 2HG LYS 47 10.507 9.803 -17.221 366 2HG LYS 47 3HG LYS 47 9.899 8.265 -16.640 367 1HD LYS 47 2HD LYS 47 7.934 10.501 -17.192 368 2HD LYS 47 3HD LYS 47 8.599 9.605 -18.543 369 1HE LYS 47 2HE LYS 47 7.795 7.473 -17.581 370 2HE LYS 47 3HE LYS 47 7.230 8.300 -16.143 371 1HZ LYS 47 1HZ LYS 47 5.387 8.010 -17.641 372 2HZ LYS 47 2HZ LYS 47 5.725 9.603 -17.629 373 H ASP 48 HN ASP 48 8.786 13.075 -14.644 374 HA ASP 48 HA ASP 48 9.292 14.253 -17.263 375 1HB ASP 48 2HB ASP 48 6.902 13.177 -16.457 376 2HB ASP 48 3HB ASP 48 6.699 14.814 -15.868 377 HD2 ASP 48 HD2 ASP 48 5.406 15.923 -18.141 378 H CYS 49 HN CYS 49 10.811 14.864 -14.901 379 HA CYS 49 HA CYS 49 9.777 16.871 -13.318 380 1HB CYS 49 2HB CYS 49 11.891 15.604 -12.896 381 2HB CYS 49 3HB CYS 49 12.673 16.529 -14.163 382 H THR 50 HN THR 50 8.920 18.799 -14.020 383 HA THR 50 HA THR 50 9.774 19.881 -16.567 384 HB THR 50 HB THR 50 7.359 19.745 -15.860 385 HG1 THR 50 HG1 THR 50 7.202 21.666 -16.968 386 1HG2 THR 50 2HG2 THR 50 8.441 21.097 -13.481 387 2HG2 THR 50 3HG2 THR 50 7.159 22.063 -14.250 388 3HG2 THR 50 1HG2 THR 50 6.823 20.394 -13.730 389 H GLU 51 HN GLU 51 11.242 19.850 -13.662 390 HA GLU 51 HA GLU 51 12.674 22.201 -14.294 391 1HB GLU 51 2HB GLU 51 12.273 23.288 -12.015 392 2HB GLU 51 3HB GLU 51 10.951 23.407 -13.160 393 1HG GLU 51 2HG GLU 51 9.945 21.315 -12.073 394 2HG GLU 51 3HG GLU 51 11.185 21.435 -10.840 395 HE1 GLU 51 HE2 GLU 51 9.788 24.547 -9.666 396 H ARG 52 HN ARG 52 14.367 20.594 -14.399 397 HA ARG 52 HA ARG 52 14.866 18.917 -12.218 398 1HB ARG 52 2HB ARG 52 16.988 18.398 -13.410 399 2HB ARG 52 3HB ARG 52 15.634 18.394 -14.521 400 1HG ARG 52 2HG ARG 52 16.353 20.290 -15.636 401 2HG ARG 52 3HG ARG 52 16.991 21.036 -14.185 402 1HD ARG 52 2HD ARG 52 19.089 20.235 -14.580 403 2HD ARG 52 3HD ARG 52 18.499 18.607 -14.849 404 HE ARG 52 HE ARG 52 17.977 20.485 -17.062 405 1HH1 ARG 52 2HH2 ARG 52 20.175 18.044 -15.733 406 2HH1 ARG 52 1HH2 ARG 52 20.919 17.704 -17.259 407 HH2 ARG 52 HH1 ARG 52 20.189 18.888 -19.211 408 H GLN 53 HN GLN 53 16.661 19.023 -10.670 409 HA GLN 53 HA GLN 53 18.467 21.082 -10.562 410 1HB GLN 53 2HB GLN 53 16.106 22.255 -10.078 411 2HB GLN 53 3HB GLN 53 16.385 21.648 -8.459 412 1HG GLN 53 2HG GLN 53 17.285 23.958 -8.755 413 2HG GLN 53 3HG GLN 53 18.543 22.815 -8.326 414 1HE2 GLN 53 2HE2 GLN 53 20.270 24.509 -10.918 415 2HE2 GLN 53 1HE2 GLN 53 19.938 24.474 -9.217 416 H ALA 54 HN ALA 54 19.583 21.165 -8.323 417 HA ALA 54 HA ALA 54 19.306 18.507 -7.104 418 1HB ALA 54 3HB ALA 54 21.460 19.133 -8.302 419 2HB ALA 54 1HB ALA 54 21.710 20.366 -7.044 420 3HB ALA 54 2HB ALA 54 21.651 18.644 -6.601 421 H ASN 55 HN ASN 55 17.358 19.919 -6.119 422 HA ASN 55 HA ASN 55 17.823 20.133 -3.478 423 1HB ASN 55 2HB ASN 55 17.714 22.712 -3.195 424 2HB ASN 55 3HB ASN 55 19.263 22.045 -3.674 425 1HD2 ASN 55 2HD2 ASN 55 16.990 24.357 -6.223 426 2HD2 ASN 55 1HD2 ASN 55 16.356 23.679 -4.762 427 1H5* G 201 1H5* G 201 -0.652 -19.970 -4.668 428 2H5* G 201 2H5* G 201 0.763 -19.101 -5.260 429 H4* G 201 H4* G 201 0.546 -20.391 -2.843 430 H3* G 201 H3* G 201 2.986 -19.540 -4.419 431 1H2* G 201 1H2* G 201 4.312 -20.313 -2.639 432 2HO* G 201 2HO* G 201 2.908 -19.285 -1.103 433 H1* G 201 H1* G 201 2.823 -22.633 -2.162 434 H8 G 201 H8 G 201 4.032 -20.964 -5.407 435 H1 G 201 H1 G 201 6.560 -26.784 -4.133 436 1H2 G 201 1H2 G 201 5.751 -27.519 -2.385 437 2H2 G 201 2H2 G 201 4.564 -26.683 -1.409 438 1H5* G 202 1H5* G 202 2.425 -17.322 -0.904 439 2H5* G 202 2H5* G 202 3.063 -15.702 -0.622 440 H4* G 202 H4* G 202 4.155 -17.090 0.923 441 H3* G 202 H3* G 202 5.869 -16.291 -1.383 442 1H2* G 202 1H2* G 202 7.662 -17.637 -0.680 443 2HO* G 202 2HO* G 202 6.275 -18.397 1.674 444 H1* G 202 H1* G 202 6.047 -19.848 0.016 445 H8 G 202 H8 G 202 5.532 -17.837 -3.195 446 H1 G 202 H1 G 202 8.912 -23.315 -3.871 447 1H2 G 202 1H2 G 202 9.217 -24.169 -2.019 448 2H2 G 202 2H2 G 202 8.643 -23.500 -0.508 449 1H5* A 203 1H5* A 203 8.640 -16.643 2.338 450 2H5* A 203 2H5* A 203 9.182 -14.966 2.308 451 H4* A 203 H4* A 203 11.117 -16.315 2.476 452 H3* A 203 H3* A 203 10.709 -14.964 -0.132 453 1H2* A 203 1H2* A 203 12.459 -16.099 -1.208 454 2HO* A 203 2HO* A 203 13.051 -17.052 1.448 455 H1* A 203 H1* A 203 11.842 -18.617 -0.053 456 H8 A 203 H8 A 203 9.158 -16.334 -1.525 457 1H6 A 203 1H6 A 203 9.545 -19.938 -6.605 458 2H6 A 203 2H6 A 203 8.681 -18.604 -5.877 459 H2 A 203 H2 A 203 12.656 -21.262 -3.721 460 1H5* C 204 1H5* C 204 14.837 -14.980 0.859 461 2H5* C 204 2H5* C 204 15.654 -13.483 0.412 462 H4* C 204 H4* C 204 16.779 -15.301 -0.647 463 H3* C 204 H3* C 204 15.228 -13.498 -2.467 464 1H2* C 204 1H2* C 204 15.747 -14.787 -4.344 465 2HO* C 204 2HO* C 204 17.542 -16.390 -2.834 466 H1* C 204 H1* C 204 15.577 -17.280 -2.921 467 1H4 C 204 1H4 C 204 10.307 -17.300 -6.496 468 2H4 C 204 2H4 C 204 9.655 -15.966 -5.571 469 H5 C 204 H5 C 204 10.835 -14.855 -3.853 470 H6 C 204 H6 C 204 12.952 -14.750 -2.586 471 1H5* U 205 1H5* U 205 19.413 -13.569 -2.946 472 2H5* U 205 2H5* U 205 20.434 -12.246 -3.509 473 H4* U 205 H4* U 205 20.762 -14.009 -5.028 474 H3* U 205 H3* U 205 19.139 -11.757 -6.073 475 1H2* U 205 1H2* U 205 18.453 -12.874 -7.993 476 2HO* U 205 2HO* U 205 19.945 -15.110 -7.966 477 H1* U 205 H1* U 205 18.417 -15.455 -6.620 478 H3 U 205 H3 U 205 14.316 -15.546 -8.504 479 H5 U 205 H5 U 205 14.086 -12.337 -5.822 480 H6 U 205 H6 U 205 16.484 -12.638 -5.409 481 1H5* A 206 1H5* A 206 21.078 -12.408 -8.870 482 2H5* A 206 2H5* A 206 22.066 -11.336 -9.861 483 H4* A 206 H4* A 206 20.301 -11.690 -11.264 484 H3* A 206 H3* A 206 19.212 -9.369 -9.624 485 1H2* A 206 1H2* A 206 17.675 -9.195 -11.337 486 2HO* A 206 2HO* A 206 19.359 -10.604 -13.136 487 H1* A 206 H1* A 206 17.885 -11.908 -12.255 488 H8 A 206 H8 A 206 17.174 -11.027 -8.618 489 1H6 A 206 1H6 A 206 11.178 -12.050 -10.014 490 2H6 A 206 2H6 A 206 12.288 -11.689 -8.711 491 H2 A 206 H2 A 206 13.549 -12.354 -13.760 492 1H5* G 207 1H5* G 207 20.304 -7.926 -13.036 493 2H5* G 207 2H5* G 207 20.370 -6.198 -13.384 494 H4* G 207 H4* G 207 18.330 -7.095 -14.262 495 H3* G 207 H3* G 207 17.618 -5.583 -11.720 496 1H2* G 207 1H2* G 207 15.538 -5.379 -12.756 497 2HO* G 207 2HO* G 207 16.034 -6.075 -15.295 498 H1* G 207 H1* G 207 15.713 -7.834 -14.189 499 H8 G 207 H8 G 207 16.545 -7.595 -10.474 500 H1 G 207 H1 G 207 10.519 -9.534 -11.820 501 1H2 G 207 1H2 G 207 10.195 -9.419 -13.854 502 2H2 G 207 2H2 G 207 11.381 -8.877 -15.020 503 1H5* C 208 1H5* C 208 18.059 -1.543 -14.094 504 2H5* C 208 2H5* C 208 17.453 -0.442 -12.857 505 H4* C 208 H4* C 208 16.000 -1.591 -14.915 506 H3* C 208 H3* C 208 15.226 -0.110 -12.416 507 1H2* C 208 1H2* C 208 13.113 -0.945 -12.544 508 2HO* C 208 2HO* C 208 12.106 -0.631 -14.622 509 H1* C 208 H1* C 208 13.402 -2.912 -14.617 510 1H4 C 208 1H4 C 208 12.047 -6.424 -9.481 511 2H4 C 208 2H4 C 208 13.582 -5.993 -8.762 512 H5 C 208 H5 C 208 15.112 -4.479 -9.733 513 H6 C 208 H6 C 208 15.549 -2.989 -11.653 514 1H5* G 209 1H5* G 209 13.500 4.449 -15.477 515 2H5* G 209 2H5* G 209 14.006 4.578 -13.792 516 H4* G 209 H4* G 209 12.161 2.579 -15.069 517 H3* G 209 H3* G 209 11.914 4.250 -12.537 518 1H2* G 209 1H2* G 209 10.061 2.943 -12.135 519 2HO* G 209 2HO* G 209 9.088 2.071 -14.311 520 H1* G 209 H1* G 209 10.838 0.749 -13.847 521 H8 G 209 H8 G 209 13.063 2.004 -11.032 522 H1 G 209 H1 G 209 9.275 -3.008 -9.477 523 1H2 G 209 1H2 G 209 7.987 -3.407 -11.037 524 2H2 G 209 2H2 G 209 7.939 -2.517 -12.541 525 1H5* G 210 1H5* G 210 10.061 4.897 -11.474 526 2H5* G 210 2H5* G 210 9.087 4.684 -12.928 527 H4* G 210 H4* G 210 7.853 5.027 -10.732 528 H3* G 210 H3* G 210 7.243 6.242 -13.331 529 1H2* G 210 1H2* G 210 6.711 8.265 -12.379 530 2HO* G 210 2HO* G 210 4.719 7.051 -12.628 531 H1* G 210 H1* G 210 6.299 7.484 -9.587 532 H8 G 210 H8 G 210 9.382 8.338 -11.723 533 H1 G 210 H1 G 210 8.046 12.482 -6.933 534 1H2 G 210 1H2 G 210 6.352 11.859 -5.937 535 2H2 G 210 2H2 G 210 5.430 10.428 -6.338 536 1H5* A 211 1H5* A 211 7.241 3.158 -11.063 537 2H5* A 211 2H5* A 211 7.206 1.450 -11.500 538 H4* A 211 H4* A 211 6.284 1.319 -9.430 539 H3* A 211 H3* A 211 4.090 1.591 -11.403 540 1H2* A 211 1H2* A 211 3.168 3.032 -9.740 541 2HO* A 211 2HO* A 211 1.951 1.104 -10.213 542 H1* A 211 H1* A 211 4.179 1.151 -7.572 543 H8 A 211 H8 A 211 4.743 4.847 -8.427 544 1H6 A 211 1H6 A 211 2.292 6.002 -2.805 545 2H6 A 211 2H6 A 211 3.016 6.742 -4.214 546 H2 A 211 H2 A 211 2.144 1.618 -3.511 547 1H5* G 212 1H5* G 212 2.379 -2.900 -8.785 548 2H5* G 212 2H5* G 212 3.025 -1.261 -8.703 549 H4* G 212 H4* G 212 4.840 -3.666 -8.705 550 H3* G 212 H3* G 212 3.331 -2.519 -6.357 551 1H2* G 212 1H2* G 212 5.187 -2.878 -5.000 552 2HO* G 212 2HO* G 212 6.059 -4.582 -7.154 553 H1* G 212 H1* G 212 7.053 -2.440 -7.194 554 H8 G 212 H8 G 212 4.436 -0.313 -5.343 555 H1 G 212 H1 G 212 10.571 1.675 -4.796 556 1H2 G 212 1H2 G 212 11.802 0.410 -5.861 557 2H2 G 212 2H2 G 212 11.254 -0.982 -6.768 558 1H5* G 213 1H5* G 213 3.335 -6.719 -8.594 559 2H5* G 213 2H5* G 213 3.863 -5.120 -9.118 560 H4* G 213 H4* G 213 1.656 -6.056 -10.744 561 H3* G 213 H3* G 213 3.547 -8.140 -10.087 562 1H2* G 213 1H2* G 213 4.704 -8.328 -12.080 563 2HO* G 213 2HO* G 213 3.388 -8.292 -13.816 564 H1* G 213 H1* G 213 4.721 -5.665 -12.882 565 H8 G 213 H8 G 213 5.204 -6.695 -9.223 566 H1 G 213 H1 G 213 10.634 -5.325 -12.466 567 1H2 G 213 1H2 G 213 10.177 -4.923 -14.437 568 2H2 G 213 2H2 G 213 8.562 -4.954 -15.110 569 1H5* C 214 1H5* C 214 1.666 -9.893 -13.500 570 2H5* C 214 2H5* C 214 1.800 -11.649 -13.421 571 H4* C 214 H4* C 214 3.248 -10.602 -15.138 572 H3* C 214 H3* C 214 4.698 -12.081 -12.914 573 1H2* C 214 1H2* C 214 6.543 -12.114 -14.383 574 2HO* C 214 2HO* C 214 4.722 -11.114 -16.371 575 H1* C 214 H1* C 214 6.291 -9.512 -15.259 576 1H4 C 214 1H4 C 214 9.940 -8.641 -10.126 577 2H4 C 214 2H4 C 214 8.662 -9.216 -9.079 578 H5 C 214 H5 C 214 6.578 -10.009 -9.859 579 H6 C 214 H6 C 214 5.195 -10.449 -11.856 580 1H5* U 215 1H5* U 215 4.853 -14.198 -16.166 581 2H5* U 215 2H5* U 215 5.139 -15.936 -16.259 582 H4* U 215 H4* U 215 7.024 -14.312 -16.936 583 H3* U 215 H3* U 215 7.329 -16.778 -15.259 584 1H2* U 215 1H2* U 215 9.270 -15.895 -14.437 585 2HO* U 215 2HO* U 215 9.750 -15.791 -17.277 586 H1* U 215 H1* U 215 9.657 -13.644 -16.276 587 H3 U 215 H3 U 215 11.226 -11.461 -12.697 588 H5 U 215 H5 U 215 7.490 -12.810 -11.369 589 H6 U 215 H6 U 215 7.252 -13.963 -13.519 590 1H5* A 216 1H5* A 216 10.524 -17.939 -18.236 591 2H5* A 216 2H5* A 216 10.486 -19.680 -17.960 592 H4* A 216 H4* A 216 12.572 -18.502 -17.210 593 H3* A 216 H3* A 216 10.974 -20.108 -15.197 594 1H2* A 216 1H2* A 216 12.730 -19.830 -13.704 595 2HO* A 216 2HO* A 216 14.776 -19.900 -14.569 596 H1* A 216 H1* A 216 13.531 -17.267 -14.749 597 H8 A 216 H8 A 216 9.958 -17.996 -13.660 598 1H6 A 216 1H6 A 216 11.506 -15.234 -8.282 599 2H6 A 216 2H6 A 216 10.181 -15.933 -9.187 600 H2 A 216 H2 A 216 15.164 -15.553 -10.784 601 1H5* G 217 1H5* G 217 14.374 -21.751 -15.921 602 2H5* G 217 2H5* G 217 14.889 -23.410 -15.613 603 H4* G 217 H4* G 217 15.826 -22.152 -13.879 604 H3* G 217 H3* G 217 13.245 -23.272 -12.721 605 1H2* G 217 1H2* G 217 14.303 -22.907 -10.649 606 2HO* G 217 2HO* G 217 16.785 -22.204 -11.670 607 H1* G 217 H1* G 217 15.549 -20.501 -11.483 608 H8 G 217 H8 G 217 11.890 -21.287 -12.248 609 H1 G 217 H1 G 217 12.880 -17.539 -7.066 610 1H2 G 217 1H2 G 217 14.906 -17.370 -6.715 611 2H2 G 217 2H2 G 217 16.150 -18.132 -7.680 612 1H5* U 218 1H5* U 218 16.268 -25.276 -11.380 613 2H5* U 218 2H5* U 218 16.236 -26.924 -10.754 614 H4* U 218 H4* U 218 16.682 -25.588 -8.893 615 H3* U 218 H3* U 218 13.677 -26.053 -8.852 616 1H2* U 218 1H2* U 218 13.831 -25.456 -6.581 617 2HO* U 218 2HO* U 218 16.340 -25.298 -5.973 618 H1* U 218 H1* U 218 15.682 -23.409 -6.937 619 H3 U 218 H3 U 218 12.128 -20.758 -6.298 620 H5 U 218 H5 U 218 11.111 -22.816 -9.801 621 H6 U 218 H6 U 218 13.177 -24.108 -9.524 622 1H5* C 219 1H5* C 219 15.276 -28.047 -6.136 623 2H5* C 219 2H5* C 219 14.823 -29.613 -5.465 624 H4* C 219 H4* C 219 14.627 -27.551 -3.963 625 H3* C 219 H3* C 219 12.679 -29.764 -4.233 626 1H2* C 219 1H2* C 219 10.966 -28.239 -3.933 627 2HO* C 219 2HO* C 219 12.375 -28.128 -1.422 628 H1* C 219 H1* C 219 12.353 -26.082 -2.530 629 1H4 C 219 1H4 C 219 9.130 -22.742 -6.867 630 2H4 C 219 2H4 C 219 9.620 -23.840 -8.138 631 H5 C 219 H5 C 219 10.964 -25.749 -7.780 632 H6 C 219 H6 C 219 12.181 -27.088 -6.100 633 1H5* C 220 1H5* C 220 12.251 -31.175 -0.210 634 2H5* C 220 2H5* C 220 12.443 -32.854 -0.712 635 H4* C 220 H4* C 220 10.145 -32.461 -0.162 636 H3* C 220 H3* C 220 10.655 -32.802 -3.119 637 1H2* C 220 1H2* C 220 8.343 -32.776 -3.489 638 2HO* C 220 2HO* C 220 7.701 -34.185 -1.903 639 H1* C 220 H1* C 220 7.876 -30.810 -1.436 640 1H4 C 220 1H4 C 220 7.209 -27.104 -6.552 641 2H4 C 220 2H4 C 220 8.511 -27.933 -7.375 642 H5 C 220 H5 C 220 9.747 -29.709 -6.429 643 H6 C 220 H6 C 220 10.040 -31.142 -4.438 No H/Q in entry = 643 Start of MODEL 16 1 H MET 1 HN MET 1 5.408 -16.309 2.616 2 HA MET 1 HA MET 1 4.330 -14.532 1.149 3 1HB MET 1 2HB MET 1 3.206 -15.823 3.663 4 2HB MET 1 3HB MET 1 2.179 -14.733 2.751 5 1HG MET 1 2HG MET 1 3.195 -16.308 0.718 6 2HG MET 1 3HG MET 1 3.153 -17.462 2.037 7 1HE MET 1 3HE MET 1 1.549 -18.196 3.225 8 2HE MET 1 1HE MET 1 -0.036 -17.438 3.506 9 3HE MET 1 2HE MET 1 0.123 -18.753 2.319 10 H GLN 2 HN GLN 2 2.367 -12.860 2.024 11 HA GLN 2 HA GLN 2 1.867 -10.974 3.024 12 1HB GLN 2 2HB GLN 2 3.430 -12.092 4.989 13 2HB GLN 2 3HB GLN 2 4.346 -10.638 4.645 14 1HG GLN 2 2HG GLN 2 2.148 -9.326 4.866 15 2HG GLN 2 3HG GLN 2 1.409 -10.804 5.453 16 1HE2 GLN 2 2HE2 GLN 2 3.636 -8.427 7.855 17 2HE2 GLN 2 1HE2 GLN 2 3.193 -8.054 6.222 18 H LYS 3 HN LYS 3 2.869 -10.900 0.525 19 HA LYS 3 HA LYS 3 3.702 -9.488 -0.959 20 1HB LYS 3 2HB LYS 3 4.425 -7.687 1.371 21 2HB LYS 3 3HB LYS 3 4.381 -7.228 -0.319 22 1HG LYS 3 2HG LYS 3 1.938 -8.394 1.076 23 2HG LYS 3 3HG LYS 3 2.294 -6.678 1.134 24 1HD LYS 3 2HD LYS 3 1.596 -6.348 -1.013 25 2HD LYS 3 3HD LYS 3 2.497 -7.728 -1.608 26 1HE LYS 3 2HE LYS 3 -0.089 -8.081 -0.038 27 2HE LYS 3 3HE LYS 3 -0.103 -7.818 -1.770 28 1HZ LYS 3 1HZ LYS 3 1.156 -9.813 -2.096 29 2HZ LYS 3 2HZ LYS 3 1.476 -9.992 -0.509 30 H GLY 4 HN GLY 4 5.151 -11.617 -0.743 31 1HA GLY 4 1HA GLY 4 7.715 -11.481 0.333 32 2HA GLY 4 2HA GLY 4 7.201 -12.497 -0.999 33 H ASN 5 HN ASN 5 6.322 -10.069 -2.625 34 HA ASN 5 HA ASN 5 8.628 -9.789 -4.082 35 1HB ASN 5 2HB ASN 5 6.079 -9.212 -4.605 36 2HB ASN 5 3HB ASN 5 6.505 -7.612 -4.028 37 1HD2 ASN 5 2HD2 ASN 5 8.307 -6.611 -6.829 38 2HD2 ASN 5 1HD2 ASN 5 7.749 -6.277 -5.223 39 H PHE 6 HN PHE 6 7.639 -8.350 -1.082 40 HA PHE 6 HA PHE 6 8.737 -5.808 -1.263 41 1HB PHE 6 2HB PHE 6 7.288 -6.509 0.586 42 2HB PHE 6 3HB PHE 6 8.312 -7.882 0.954 43 HD1 PHE 6 HD2 PHE 6 10.409 -7.577 2.181 44 HD2 PHE 6 HD1 PHE 6 7.839 -4.295 1.386 45 HE1 PHE 6 HE2 PHE 6 11.615 -6.214 3.910 46 HE2 PHE 6 HE1 PHE 6 9.045 -2.932 3.116 47 HZ PHE 6 HZ PHE 6 10.918 -3.908 4.356 48 H ARG 7 HN ARG 7 10.287 -8.886 -1.358 49 HA ARG 7 HA ARG 7 12.578 -8.358 0.066 50 1HB ARG 7 2HB ARG 7 13.598 -10.170 -1.349 51 2HB ARG 7 3HB ARG 7 12.020 -10.615 -0.731 52 1HG ARG 7 2HG ARG 7 10.951 -10.180 -2.858 53 2HG ARG 7 3HG ARG 7 12.360 -9.345 -3.479 54 1HD ARG 7 2HD ARG 7 13.662 -11.519 -3.306 55 2HD ARG 7 3HD ARG 7 12.183 -12.325 -2.821 56 HE ARG 7 HE ARG 7 12.900 -11.521 -5.515 57 1HH1 ARG 7 2HH2 ARG 7 10.121 -11.987 -3.368 58 2HH1 ARG 7 1HH2 ARG 7 9.009 -12.271 -4.665 59 HH2 ARG 7 HH1 ARG 7 9.803 -12.214 -6.925 60 H ASN 8 HN ASN 8 11.372 -6.884 -2.789 61 HA ASN 8 HA ASN 8 13.593 -6.523 -4.323 62 1HB ASN 8 2HB ASN 8 12.439 -4.443 -5.138 63 2HB ASN 8 3HB ASN 8 11.336 -5.801 -5.027 64 1HD2 ASN 8 2HD2 ASN 8 10.224 -2.466 -3.361 65 2HD2 ASN 8 1HD2 ASN 8 11.194 -2.745 -4.769 66 H GLN 9 HN GLN 9 12.836 -5.353 -1.126 67 HA GLN 9 HA GLN 9 14.132 -2.919 -1.131 68 1HB GLN 9 2HB GLN 9 13.343 -4.937 0.946 69 2HB GLN 9 3HB GLN 9 14.493 -3.708 1.434 70 1HG GLN 9 2HG GLN 9 12.385 -2.434 -0.093 71 2HG GLN 9 3HG GLN 9 11.646 -3.448 1.130 72 1HE2 GLN 9 2HE2 GLN 9 14.361 -0.562 2.387 73 2HE2 GLN 9 1HE2 GLN 9 14.629 -1.501 0.956 74 H ARG 10 HN ARG 10 15.392 -6.088 -1.561 75 HA ARG 10 HA ARG 10 17.782 -5.915 -0.222 76 1HB ARG 10 2HB ARG 10 18.559 -7.673 -1.814 77 2HB ARG 10 3HB ARG 10 16.934 -8.006 -1.247 78 1HG ARG 10 2HG ARG 10 16.028 -6.905 -3.343 79 2HG ARG 10 3HG ARG 10 17.673 -6.717 -3.916 80 1HD ARG 10 2HD ARG 10 16.618 -8.761 -4.869 81 2HD ARG 10 3HD ARG 10 18.008 -9.171 -3.883 82 HE ARG 10 HE ARG 10 15.171 -9.697 -3.232 83 1HH1 ARG 10 2HH2 ARG 10 18.522 -9.675 -2.078 84 2HH1 ARG 10 1HH2 ARG 10 18.202 -10.740 -0.750 85 HH2 ARG 10 HH1 ARG 10 15.977 -11.567 -0.419 86 H LYS 11 HN LYS 11 16.598 -4.078 -2.884 87 HA LYS 11 HA LYS 11 19.340 -3.296 -3.594 88 1HB LYS 11 2HB LYS 11 18.320 -4.400 -5.473 89 2HB LYS 11 3HB LYS 11 16.856 -3.450 -5.319 90 1HG LYS 11 2HG LYS 11 17.852 -1.504 -6.169 91 2HG LYS 11 3HG LYS 11 19.459 -1.963 -5.644 92 1HD LYS 11 2HD LYS 11 19.766 -2.477 -7.859 93 2HD LYS 11 3HD LYS 11 18.981 -3.982 -7.424 94 1HE LYS 11 2HE LYS 11 17.300 -3.514 -8.871 95 2HE LYS 11 3HE LYS 11 16.879 -2.105 -7.918 96 1HZ LYS 11 1HZ LYS 11 18.332 -2.221 -10.404 97 2HZ LYS 11 2HZ LYS 11 17.503 -0.976 -9.759 98 H THR 12 HN THR 12 17.902 -2.325 -1.285 99 HA THR 12 HA THR 12 16.948 -0.461 -0.419 100 HB THR 12 HB THR 12 19.547 -0.210 -0.796 101 HG1 THR 12 HG1 THR 12 18.255 1.038 0.724 102 1HG2 THR 12 2HG2 THR 12 18.644 0.941 -3.226 103 2HG2 THR 12 3HG2 THR 12 19.023 2.329 -2.177 104 3HG2 THR 12 1HG2 THR 12 20.270 1.106 -2.522 105 H VAL 13 HN VAL 13 15.267 -1.204 -2.422 106 HA VAL 13 HA VAL 13 14.804 0.331 -4.554 107 HB VAL 13 HB VAL 13 12.355 0.036 -4.012 108 1HG1 VAL 13 3HG1 VAL 13 14.416 -1.959 -4.495 109 2HG1 VAL 13 1HG1 VAL 13 13.007 -2.666 -3.669 110 3HG1 VAL 13 2HG1 VAL 13 12.793 -1.800 -5.209 111 1HG2 VAL 13 1HG2 VAL 13 13.562 -1.055 -1.465 112 2HG2 VAL 13 2HG2 VAL 13 12.223 0.101 -1.668 113 3HG2 VAL 13 3HG2 VAL 13 11.983 -1.617 -2.067 114 H LYS 14 HN LYS 14 13.499 2.270 -4.998 115 HA LYS 14 HA LYS 14 13.843 4.222 -2.837 116 1HB LYS 14 2HB LYS 14 14.277 5.846 -4.424 117 2HB LYS 14 3HB LYS 14 15.045 4.436 -5.123 118 1HG LYS 14 2HG LYS 14 12.667 4.074 -6.275 119 2HG LYS 14 3HG LYS 14 12.458 5.780 -5.933 120 1HD LYS 14 2HD LYS 14 15.083 5.041 -7.158 121 2HD LYS 14 3HD LYS 14 13.687 4.804 -8.189 122 1HE LYS 14 2HE LYS 14 12.991 7.156 -7.856 123 2HE LYS 14 3HE LYS 14 14.295 7.411 -6.714 124 1HZ LYS 14 1HZ LYS 14 14.564 7.967 -9.281 125 2HZ LYS 14 2HZ LYS 14 15.837 7.474 -8.395 126 H CYS 15 HN CYS 15 12.119 5.588 -2.236 127 HA CYS 15 HA CYS 15 9.556 4.412 -2.696 128 1HB CYS 15 2HB CYS 15 10.185 5.253 -0.471 129 2HB CYS 15 3HB CYS 15 10.347 6.877 -1.109 130 H PHE 16 HN PHE 16 8.459 4.853 -4.580 131 HA PHE 16 HA PHE 16 9.135 7.093 -6.177 132 1HB PHE 16 2HB PHE 16 6.977 4.922 -6.091 133 2HB PHE 16 3HB PHE 16 6.889 6.183 -7.305 134 HD1 PHE 16 HD1 PHE 16 9.610 6.550 -8.186 135 HD2 PHE 16 HD2 PHE 16 7.618 2.959 -7.115 136 HE1 PHE 16 HE1 PHE 16 11.171 5.245 -9.656 137 HE2 PHE 16 HE2 PHE 16 9.179 1.654 -8.586 138 HZ PHE 16 HZ PHE 16 10.937 2.813 -9.838 139 H ASN 17 HN ASN 17 7.493 6.992 -3.287 140 HA ASN 17 HA ASN 17 5.385 8.773 -4.102 141 1HB ASN 17 2HB ASN 17 5.257 6.878 -2.273 142 2HB ASN 17 3HB ASN 17 6.095 8.014 -1.234 143 1HD2 ASN 17 2HD2 ASN 17 3.011 9.226 -0.201 144 2HD2 ASN 17 1HD2 ASN 17 4.505 8.436 0.178 145 H CYS 18 HN CYS 18 7.845 8.729 -1.401 146 HA CYS 18 HA CYS 18 7.857 11.595 -1.348 147 1HB CYS 18 2HB CYS 18 9.442 11.312 0.532 148 2HB CYS 18 3HB CYS 18 7.954 10.416 0.761 149 H GLY 19 HN GLY 19 10.041 8.854 -2.245 150 1HA GLY 19 1HA GLY 19 11.430 9.061 -4.169 151 2HA GLY 19 2HA GLY 19 11.647 10.764 -3.819 152 H LYS 20 HN LYS 20 11.687 8.264 -1.264 153 HA LYS 20 HA LYS 20 14.486 8.962 -0.788 154 1HB LYS 20 2HB LYS 20 12.199 8.090 0.930 155 2HB LYS 20 3HB LYS 20 13.814 7.620 1.421 156 1HG LYS 20 2HG LYS 20 14.333 10.214 0.852 157 2HG LYS 20 3HG LYS 20 12.621 10.375 1.196 158 1HD LYS 20 2HD LYS 20 13.126 10.396 3.406 159 2HD LYS 20 3HD LYS 20 13.599 8.713 3.267 160 1HE LYS 20 2HE LYS 20 15.882 9.213 3.112 161 2HE LYS 20 3HE LYS 20 15.604 10.787 2.394 162 1HZ LYS 20 1HZ LYS 20 16.156 11.367 4.544 163 2HZ LYS 20 2HZ LYS 20 14.542 11.263 4.739 164 H GLU 21 HN GLU 21 15.395 6.761 0.603 165 HA GLU 21 HA GLU 21 14.948 4.550 -1.231 166 1HB GLU 21 2HB GLU 21 17.425 6.100 -0.882 167 2HB GLU 21 3HB GLU 21 17.677 4.392 -0.582 168 1HG GLU 21 2HG GLU 21 17.093 3.769 -2.767 169 2HG GLU 21 3HG GLU 21 16.056 5.162 -3.006 170 HE2 GLU 21 HE2 GLU 21 19.003 5.607 -4.959 171 H GLY 22 HN GLY 22 14.617 2.629 -0.167 172 1HA GLY 22 1HA GLY 22 15.574 1.189 1.619 173 2HA GLY 22 2HA GLY 22 15.361 2.554 2.696 174 H HIS 23 HN HIS 23 12.853 2.669 0.420 175 HA HIS 23 HA HIS 23 11.161 0.679 1.484 176 1HB HIS 23 2HB HIS 23 9.733 1.868 2.874 177 2HB HIS 23 3HB HIS 23 11.326 2.412 3.366 178 HD1 HIS 23 HD1 HIS 23 11.997 4.883 2.797 179 HD2 HIS 23 HD2 HIS 23 8.099 3.828 1.660 180 HE1 HIS 23 HE1 HIS 23 10.795 7.067 2.254 181 H ILE 24 HN ILE 24 8.930 0.848 0.506 182 HA ILE 24 HA ILE 24 9.105 2.373 -1.998 183 HB ILE 24 HB ILE 24 7.966 0.660 -3.102 184 1HG1 ILE 24 2HG1 ILE 24 7.459 -0.765 -0.477 185 2HG1 ILE 24 3HG1 ILE 24 6.291 0.294 -1.246 186 1HG2 ILE 24 3HG2 ILE 24 10.271 -0.064 -1.435 187 2HG2 ILE 24 1HG2 ILE 24 9.329 -1.459 -2.013 188 3HG2 ILE 24 2HG2 ILE 24 9.991 -0.288 -3.179 189 1HD1 ILE 24 3HD1 ILE 24 7.559 -1.982 -2.805 190 2HD1 ILE 24 1HD1 ILE 24 6.155 -2.265 -1.748 191 3HD1 ILE 24 2HD1 ILE 24 6.023 -1.138 -3.120 192 H ALA 25 HN ALA 25 6.947 3.079 -2.888 193 HA ALA 25 HA ALA 25 5.641 4.704 -1.124 194 1HB ALA 25 2HB ALA 25 5.619 4.677 -3.681 195 2HB ALA 25 3HB ALA 25 4.356 3.429 -3.561 196 3HB ALA 25 1HB ALA 25 4.070 5.053 -2.889 197 H LYS 26 HN LYS 26 4.949 1.288 -2.017 198 HA LYS 26 HA LYS 26 2.483 1.095 -0.748 199 1HB LYS 26 2HB LYS 26 4.551 -1.091 -1.113 200 2HB LYS 26 3HB LYS 26 2.827 -1.303 -0.875 201 1HG LYS 26 2HG LYS 26 3.588 0.498 -3.138 202 2HG LYS 26 3HG LYS 26 4.034 -1.184 -3.341 203 1HD LYS 26 2HD LYS 26 1.340 -1.072 -2.279 204 2HD LYS 26 3HD LYS 26 1.439 0.007 -3.656 205 1HE LYS 26 2HE LYS 26 2.607 -1.949 -4.908 206 2HE LYS 26 3HE LYS 26 2.086 -2.969 -3.582 207 1HZ LYS 26 1HZ LYS 26 0.232 -3.136 -4.871 208 2HZ LYS 26 2HZ LYS 26 -0.205 -1.730 -4.174 209 H ASN 27 HN ASN 27 5.851 0.715 0.472 210 HA ASN 27 HA ASN 27 4.773 0.188 3.096 211 1HB ASN 27 2HB ASN 27 7.588 0.184 1.911 212 2HB ASN 27 3HB ASN 27 7.332 0.055 3.640 213 1HD2 ASN 27 2HD2 ASN 27 5.905 -2.942 1.138 214 2HD2 ASN 27 1HD2 ASN 27 5.948 -1.285 0.638 215 H CYS 28 HN CYS 28 4.917 2.871 1.356 216 HA CYS 28 HA CYS 28 6.566 4.524 3.031 217 1HB CYS 28 2HB CYS 28 6.446 4.948 0.611 218 2HB CYS 28 3HB CYS 28 4.724 5.248 0.730 219 H ARG 29 HN ARG 29 5.809 5.839 4.710 220 HA ARG 29 HA ARG 29 3.216 5.236 5.655 221 1HB ARG 29 2HB ARG 29 5.530 5.929 6.894 222 2HB ARG 29 3HB ARG 29 4.811 7.524 6.805 223 1HG ARG 29 2HG ARG 29 3.662 6.977 8.689 224 2HG ARG 29 3HG ARG 29 2.673 5.948 7.673 225 1HD ARG 29 2HD ARG 29 3.381 4.331 9.171 226 2HD ARG 29 3HD ARG 29 4.727 4.229 8.053 227 HE ARG 29 HE ARG 29 6.122 5.302 9.630 228 1HH1 ARG 29 1HH2 ARG 29 3.152 5.986 12.302 229 2HH1 ARG 29 2HH2 ARG 29 2.749 5.440 10.709 230 HH2 ARG 29 HH1 ARG 29 5.452 6.322 12.883 231 H ALA 30 HN ALA 30 4.790 7.862 3.846 232 HA ALA 30 HA ALA 30 2.946 9.895 4.321 233 1HB ALA 30 1HB ALA 30 4.695 9.277 1.906 234 2HB ALA 30 2HB ALA 30 3.869 10.827 2.195 235 3HB ALA 30 3HB ALA 30 5.137 10.273 3.314 236 HA PRO 31 HA PRO 31 -0.480 8.735 1.952 237 1HB PRO 31 2HB PRO 31 -1.488 11.135 1.120 238 2HB PRO 31 3HB PRO 31 -1.736 10.499 2.733 239 1HG PRO 31 2HG PRO 31 0.070 12.668 1.854 240 2HG PRO 31 3HG PRO 31 -0.507 12.306 3.469 241 1HD PRO 31 2HD PRO 31 2.095 11.731 2.408 242 2HD PRO 31 3HD PRO 31 1.479 11.268 3.982 243 H ARG 32 HN ARG 32 -1.326 8.184 -0.073 244 HA ARG 32 HA ARG 32 0.610 8.036 -2.005 245 1HB ARG 32 2HB ARG 32 -2.420 7.988 -2.434 246 2HB ARG 32 3HB ARG 32 -1.222 7.286 -3.504 247 1HG ARG 32 2HG ARG 32 -1.696 6.439 -0.605 248 2HG ARG 32 3HG ARG 32 -2.283 5.576 -2.013 249 1HD ARG 32 2HD ARG 32 0.617 6.123 -2.171 250 2HD ARG 32 3HD ARG 32 0.197 5.186 -0.750 251 HE ARG 32 HE ARG 32 0.296 4.167 -3.386 252 1HH1 ARG 32 2HH2 ARG 32 -1.978 4.143 -0.668 253 2HH1 ARG 32 1HH2 ARG 32 -2.686 2.625 -1.113 254 HH2 ARG 32 HH1 ARG 32 -1.881 1.480 -3.058 255 H LYS 33 HN LYS 33 1.530 9.739 -3.111 256 HA LYS 33 HA LYS 33 -0.273 11.674 -4.318 257 1HB LYS 33 2HB LYS 33 1.469 12.248 -2.048 258 2HB LYS 33 3HB LYS 33 1.859 13.248 -3.434 259 1HG LYS 33 2HG LYS 33 -0.379 14.119 -3.580 260 2HG LYS 33 3HG LYS 33 -1.022 12.870 -2.530 261 1HD LYS 33 2HD LYS 33 -0.864 14.871 -1.193 262 2HD LYS 33 3HD LYS 33 0.418 13.809 -0.648 263 1HE LYS 33 2HE LYS 33 2.110 15.126 -1.584 264 2HE LYS 33 3HE LYS 33 1.083 15.735 -2.866 265 1HZ LYS 33 1HZ LYS 33 0.278 16.511 -0.185 266 2HZ LYS 33 2HZ LYS 33 1.690 17.154 -0.684 267 H LYS 34 HN LYS 34 1.504 13.320 -5.571 268 HA LYS 34 HA LYS 34 3.483 11.582 -6.821 269 1HB LYS 34 2HB LYS 34 0.986 12.026 -7.994 270 2HB LYS 34 3HB LYS 34 2.046 13.157 -8.810 271 1HG LYS 34 2HG LYS 34 3.676 11.276 -9.234 272 2HG LYS 34 3HG LYS 34 2.550 10.160 -8.488 273 1HD LYS 34 2HD LYS 34 1.684 11.927 -10.806 274 2HD LYS 34 3HD LYS 34 2.514 10.411 -11.096 275 1HE LYS 34 2HE LYS 34 0.699 9.137 -10.467 276 2HE LYS 34 3HE LYS 34 0.265 10.211 -9.153 277 1HZ LYS 34 1HZ LYS 34 -1.390 10.317 -10.913 278 2HZ LYS 34 2HZ LYS 34 -0.645 11.763 -10.827 279 H GLY 35 HN GLY 35 4.166 13.404 -4.938 280 1HA GLY 35 1HA GLY 35 4.649 15.991 -6.151 281 2HA GLY 35 2HA GLY 35 5.090 15.458 -4.540 282 H CYS 36 HN CYS 36 6.437 16.530 -7.318 283 HA CYS 36 HA CYS 36 8.355 14.654 -7.990 284 1HB CYS 36 2HB CYS 36 7.953 16.506 -9.450 285 2HB CYS 36 3HB CYS 36 8.332 17.675 -8.202 286 H TRP 37 HN TRP 37 10.112 13.891 -6.854 287 HA TRP 37 HA TRP 37 10.692 15.083 -4.296 288 1HB TRP 37 2HB TRP 37 12.451 12.941 -5.219 289 2HB TRP 37 3HB TRP 37 11.519 13.089 -3.743 290 HD1 TRP 37 HD1 TRP 37 8.644 12.655 -4.316 291 HE1 TRP 37 HE1 TRP 37 7.537 10.657 -5.639 292 HE3 TRP 37 HE3 TRP 37 12.838 11.330 -6.868 293 HZ2 TRP 37 HZ2 TRP 37 8.518 8.790 -7.561 294 HZ3 TRP 37 HZ3 TRP 37 12.678 9.409 -8.449 295 HH2 TRP 37 HH2 TRP 37 10.612 8.154 -8.814 296 H LYS 38 HN LYS 38 11.134 16.784 -6.623 297 HA LYS 38 HA LYS 38 14.027 17.118 -6.331 298 1HB LYS 38 2HB LYS 38 12.867 16.144 -8.652 299 2HB LYS 38 3HB LYS 38 13.015 17.858 -8.981 300 1HG LYS 38 2HG LYS 38 15.103 16.951 -9.676 301 2HG LYS 38 3HG LYS 38 15.448 17.673 -8.118 302 1HD LYS 38 2HD LYS 38 14.578 15.022 -7.546 303 2HD LYS 38 3HD LYS 38 15.645 14.874 -8.928 304 1HE LYS 38 2HE LYS 38 17.341 14.926 -7.399 305 2HE LYS 38 3HE LYS 38 17.063 16.655 -7.350 306 1HZ LYS 38 1HZ LYS 38 16.986 15.462 -5.135 307 2HZ LYS 38 2HZ LYS 38 15.695 16.409 -5.435 308 H CYS 39 HN CYS 39 10.887 18.551 -7.436 309 HA CYS 39 HA CYS 39 11.919 21.124 -6.498 310 1HB CYS 39 2HB CYS 39 10.089 22.108 -7.926 311 2HB CYS 39 3HB CYS 39 11.375 21.306 -8.805 312 H GLY 40 HN GLY 40 9.390 18.624 -6.286 313 1HA GLY 40 1HA GLY 40 8.178 18.217 -4.339 314 2HA GLY 40 2HA GLY 40 8.407 19.878 -3.827 315 H LYS 41 HN LYS 41 7.544 19.309 -7.199 316 HA LYS 41 HA LYS 41 4.957 20.533 -6.658 317 1HB LYS 41 2HB LYS 41 6.913 20.952 -8.608 318 2HB LYS 41 3HB LYS 41 5.644 20.094 -9.459 319 1HG LYS 41 2HG LYS 41 5.106 22.442 -9.610 320 2HG LYS 41 3HG LYS 41 3.965 21.740 -8.480 321 1HD LYS 41 2HD LYS 41 5.717 22.434 -6.635 322 2HD LYS 41 3HD LYS 41 6.382 23.476 -7.877 323 1HE LYS 41 2HE LYS 41 3.891 24.294 -8.194 324 2HE LYS 41 3HE LYS 41 3.621 23.574 -6.619 325 1HZ LYS 41 1HZ LYS 41 4.259 25.896 -6.391 326 2HZ LYS 41 2HZ LYS 41 5.440 24.977 -5.751 327 H GLU 42 HN GLU 42 3.110 19.370 -6.610 328 HA GLU 42 HA GLU 42 3.316 16.583 -7.217 329 1HB GLU 42 2HB GLU 42 1.071 16.429 -6.240 330 2HB GLU 42 3HB GLU 42 2.107 17.386 -5.199 331 1HG GLU 42 2HG GLU 42 1.169 19.467 -6.443 332 2HG GLU 42 3HG GLU 42 -0.041 18.390 -7.112 333 HE2 GLU 42 HE2 GLU 42 -2.025 18.947 -5.332 334 H GLY 43 HN GLY 43 2.994 15.793 -9.247 335 1HA GLY 43 1HA GLY 43 0.879 15.833 -10.808 336 2HA GLY 43 2HA GLY 43 1.513 17.427 -11.171 337 H HIS 44 HN HIS 44 4.241 17.167 -11.238 338 HA HIS 44 HA HIS 44 4.561 15.315 -13.462 339 1HB HIS 44 2HB HIS 44 6.348 16.684 -14.198 340 2HB HIS 44 3HB HIS 44 5.032 17.755 -13.761 341 HD1 HIS 44 HD1 HIS 44 5.417 19.419 -11.833 342 HD2 HIS 44 HD2 HIS 44 8.602 16.752 -12.415 343 HE1 HIS 44 HE1 HIS 44 7.350 20.296 -10.418 344 H GLN 45 HN GLN 45 7.034 14.513 -13.599 345 HA GLN 45 HA GLN 45 7.679 13.541 -10.924 346 1HB GLN 45 2HB GLN 45 8.172 11.375 -11.786 347 2HB GLN 45 3HB GLN 45 6.654 11.826 -12.536 348 1HG GLN 45 2HG GLN 45 7.786 12.466 -14.611 349 2HG GLN 45 3HG GLN 45 9.362 12.277 -13.868 350 1HE2 GLN 45 2HE2 GLN 45 7.155 9.056 -15.180 351 2HE2 GLN 45 1HE2 GLN 45 6.490 10.647 -15.023 352 H MET 46 HN MET 46 10.039 12.905 -10.666 353 HA MET 46 HA MET 46 11.661 14.986 -11.306 354 1HB MET 46 2HB MET 46 12.235 13.390 -9.544 355 2HB MET 46 3HB MET 46 12.240 12.047 -10.671 356 1HG MET 46 2HG MET 46 14.115 14.201 -11.456 357 2HG MET 46 3HG MET 46 14.484 13.524 -9.882 358 1HE MET 46 2HE MET 46 14.972 11.177 -9.356 359 2HE MET 46 3HE MET 46 13.536 10.435 -10.102 360 3HE MET 46 1HE MET 46 15.161 9.832 -10.507 361 H LYS 47 HN LYS 47 11.101 11.921 -13.103 362 HA LYS 47 HA LYS 47 13.188 12.114 -14.901 363 1HB LYS 47 2HB LYS 47 11.659 10.160 -14.523 364 2HB LYS 47 3HB LYS 47 10.419 11.000 -15.433 365 1HG LYS 47 2HG LYS 47 12.775 11.154 -17.030 366 2HG LYS 47 3HG LYS 47 12.726 9.511 -16.422 367 1HD LYS 47 2HD LYS 47 10.090 10.521 -17.355 368 2HD LYS 47 3HD LYS 47 11.303 10.442 -18.617 369 1HE LYS 47 2HE LYS 47 11.486 8.026 -17.029 370 2HE LYS 47 3HE LYS 47 9.806 8.274 -17.461 371 1HZ LYS 47 1HZ LYS 47 11.977 8.441 -19.473 372 2HZ LYS 47 2HZ LYS 47 11.198 7.048 -19.154 373 H ASP 48 HN ASP 48 10.071 13.834 -14.731 374 HA ASP 48 HA ASP 48 10.898 15.246 -17.146 375 1HB ASP 48 2HB ASP 48 8.162 14.507 -16.056 376 2HB ASP 48 3HB ASP 48 8.330 15.874 -17.139 377 HD1 ASP 48 HD2 ASP 48 10.088 14.222 -19.304 378 H CYS 49 HN CYS 49 11.852 15.858 -14.467 379 HA CYS 49 HA CYS 49 10.309 17.684 -13.090 380 1HB CYS 49 2HB CYS 49 12.391 16.591 -12.247 381 2HB CYS 49 3HB CYS 49 13.339 17.633 -13.290 382 H THR 50 HN THR 50 9.425 19.540 -13.939 383 HA THR 50 HA THR 50 10.674 20.810 -16.211 384 HB THR 50 HB THR 50 8.206 20.506 -16.051 385 HG1 THR 50 HG1 THR 50 9.094 23.264 -15.587 386 1HG2 THR 50 1HG2 THR 50 8.664 21.894 -13.427 387 2HG2 THR 50 2HG2 THR 50 7.261 22.446 -14.373 388 3HG2 THR 50 3HG2 THR 50 7.390 20.738 -13.885 389 H GLU 51 HN GLU 51 11.573 20.764 -13.083 390 HA GLU 51 HA GLU 51 11.937 23.630 -12.899 391 1HB GLU 51 2HB GLU 51 11.785 21.386 -10.988 392 2HB GLU 51 3HB GLU 51 13.107 22.481 -10.636 393 1HG GLU 51 2HG GLU 51 10.376 23.624 -11.275 394 2HG GLU 51 3HG GLU 51 10.670 22.961 -9.680 395 HE2 GLU 51 HE2 GLU 51 10.519 25.124 -8.897 396 H ARG 52 HN ARG 52 13.905 20.586 -12.532 397 HA ARG 52 HA ARG 52 15.933 20.107 -13.115 398 1HB ARG 52 2HB ARG 52 15.282 22.271 -14.985 399 2HB ARG 52 3HB ARG 52 16.990 22.299 -14.594 400 1HG ARG 52 2HG ARG 52 17.384 20.169 -15.497 401 2HG ARG 52 3HG ARG 52 15.739 19.627 -15.224 402 1HD ARG 52 2HD ARG 52 14.953 21.201 -17.039 403 2HD ARG 52 3HD ARG 52 16.618 21.652 -17.340 404 HE ARG 52 HE ARG 52 16.079 18.753 -17.447 405 1HH1 ARG 52 2HH2 ARG 52 16.363 21.766 -19.288 406 2HH1 ARG 52 1HH2 ARG 52 16.630 20.964 -20.799 407 HH2 ARG 52 HH1 ARG 52 16.666 18.568 -20.866 408 H GLN 53 HN GLN 53 16.364 20.490 -10.762 409 HA GLN 53 HA GLN 53 18.587 22.149 -10.437 410 1HB GLN 53 2HB GLN 53 15.976 23.333 -9.808 411 2HB GLN 53 3HB GLN 53 17.018 23.299 -8.399 412 1HG GLN 53 2HG GLN 53 18.840 24.182 -10.191 413 2HG GLN 53 3HG GLN 53 17.399 24.750 -11.010 414 1HE2 GLN 53 1HE2 GLN 53 19.652 26.079 -9.529 415 2HE2 GLN 53 2HE2 GLN 53 18.903 27.150 -8.392 416 H ALA 54 HN ALA 54 19.033 22.292 -7.824 417 HA ALA 54 HA ALA 54 17.954 19.964 -6.484 418 1HB ALA 54 2HB ALA 54 19.986 19.307 -7.971 419 2HB ALA 54 3HB ALA 54 20.958 20.202 -6.777 420 3HB ALA 54 1HB ALA 54 19.990 18.798 -6.265 421 H ASN 55 HN ASN 55 18.498 19.973 -4.163 422 HA ASN 55 HA ASN 55 19.453 22.597 -3.327 423 1HB ASN 55 2HB ASN 55 16.972 22.402 -3.026 424 2HB ASN 55 3HB ASN 55 17.191 20.939 -2.088 425 1HD2 ASN 55 2HD2 ASN 55 17.547 22.578 0.922 426 2HD2 ASN 55 1HD2 ASN 55 17.113 21.177 0.002 427 1H5* G 201 1H5* G 201 -1.164 -20.094 -6.393 428 2H5* G 201 2H5* G 201 -0.099 -18.817 -5.805 429 H4* G 201 H4* G 201 -0.167 -20.948 -4.450 430 H3* G 201 H3* G 201 2.554 -20.071 -5.492 431 1H2* G 201 1H2* G 201 3.394 -21.371 -3.709 432 2HO* G 201 2HO* G 201 1.295 -22.122 -2.325 433 H1* G 201 H1* G 201 1.605 -23.470 -4.029 434 H8 G 201 H8 G 201 3.097 -21.482 -6.955 435 H1 G 201 H1 G 201 5.760 -27.280 -5.867 436 1H2 G 201 1H2 G 201 4.891 -28.137 -4.206 437 2H2 G 201 2H2 G 201 3.628 -27.395 -3.249 438 1H5* G 202 1H5* G 202 2.469 -19.268 -1.845 439 2H5* G 202 2H5* G 202 3.066 -17.816 -1.042 440 H4* G 202 H4* G 202 4.330 -19.507 -0.092 441 H3* G 202 H3* G 202 5.899 -18.229 -2.322 442 1H2* G 202 1H2* G 202 7.739 -19.614 -1.828 443 2HO* G 202 2HO* G 202 7.938 -20.136 0.282 444 H1* G 202 H1* G 202 6.180 -21.939 -1.475 445 H8 G 202 H8 G 202 5.574 -19.448 -4.316 446 H1 G 202 H1 G 202 9.023 -24.684 -5.915 447 1H2 G 202 1H2 G 202 9.373 -25.821 -4.230 448 2H2 G 202 2H2 G 202 8.815 -25.414 -2.623 449 1H5* A 203 1H5* A 203 8.003 -18.209 0.942 450 2H5* A 203 2H5* A 203 8.810 -16.781 1.590 451 H4* A 203 H4* A 203 10.499 -18.377 1.417 452 H3* A 203 H3* A 203 10.597 -16.471 -0.908 453 1H2* A 203 1H2* A 203 12.402 -17.606 -1.823 454 2HO* A 203 2HO* A 203 13.859 -18.519 -0.380 455 H1* A 203 H1* A 203 11.683 -20.205 -1.044 456 H8 A 203 H8 A 203 9.150 -17.685 -2.421 457 1H6 A 203 1H6 A 203 9.754 -20.766 -7.815 458 2H6 A 203 2H6 A 203 8.893 -19.473 -7.010 459 H2 A 203 H2 A 203 12.595 -22.523 -4.884 460 1H5* C 204 1H5* C 204 15.080 -16.701 0.472 461 2H5* C 204 2H5* C 204 15.526 -15.100 -0.121 462 H4* C 204 H4* C 204 16.731 -17.011 -1.197 463 H3* C 204 H3* C 204 15.182 -15.019 -2.838 464 1H2* C 204 1H2* C 204 15.881 -16.076 -4.812 465 2HO* C 204 2HO* C 204 17.798 -17.284 -4.725 466 H1* C 204 H1* C 204 15.627 -18.705 -3.763 467 1H4 C 204 1H4 C 204 10.354 -18.109 -7.275 468 2H4 C 204 2H4 C 204 9.745 -16.876 -6.192 469 H5 C 204 H5 C 204 10.957 -16.030 -4.350 470 H6 C 204 H6 C 204 13.069 -16.159 -3.080 471 1H5* U 205 1H5* U 205 19.541 -14.404 -3.103 472 2H5* U 205 2H5* U 205 20.161 -12.787 -3.433 473 H4* U 205 H4* U 205 20.933 -14.110 -5.201 474 H3* U 205 H3* U 205 18.650 -12.353 -5.949 475 1H2* U 205 1H2* U 205 18.469 -13.272 -8.112 476 2HO* U 205 2HO* U 205 20.833 -14.757 -7.409 477 H1* U 205 H1* U 205 18.779 -15.948 -7.170 478 H3 U 205 H3 U 205 14.578 -16.291 -8.727 479 H5 U 205 H5 U 205 14.209 -13.474 -5.650 480 H6 U 205 H6 U 205 16.648 -13.562 -5.411 481 1H5* A 206 1H5* A 206 20.854 -11.991 -8.737 482 2H5* A 206 2H5* A 206 21.739 -10.581 -9.316 483 H4* A 206 H4* A 206 20.464 -11.224 -11.145 484 H3* A 206 H3* A 206 19.034 -8.998 -9.692 485 1H2* A 206 1H2* A 206 17.331 -9.082 -11.242 486 2HO* A 206 2HO* A 206 17.939 -9.467 -13.397 487 H1* A 206 H1* A 206 17.698 -11.840 -11.991 488 H8 A 206 H8 A 206 17.174 -10.753 -8.380 489 1H6 A 206 1H6 A 206 11.193 -12.311 -9.251 490 2H6 A 206 2H6 A 206 12.361 -11.779 -8.061 491 H2 A 206 H2 A 206 13.311 -12.697 -13.138 492 1H5* G 207 1H5* G 207 19.781 -7.826 -13.356 493 2H5* G 207 2H5* G 207 19.775 -6.135 -13.855 494 H4* G 207 H4* G 207 17.743 -7.020 -14.617 495 H3* G 207 H3* G 207 17.092 -5.649 -11.980 496 1H2* G 207 1H2* G 207 14.895 -5.592 -12.824 497 2HO* G 207 2HO* G 207 14.755 -6.080 -15.221 498 H1* G 207 H1* G 207 15.164 -8.141 -14.099 499 H8 G 207 H8 G 207 16.171 -7.546 -10.470 500 H1 G 207 H1 G 207 10.246 -10.011 -11.303 501 1H2 G 207 1H2 G 207 9.805 -10.080 -13.317 502 2H2 G 207 2H2 G 207 10.881 -9.547 -14.589 503 1H5* C 208 1H5* C 208 17.646 -2.525 -15.265 504 2H5* C 208 2H5* C 208 17.540 -0.818 -14.837 505 H4* C 208 H4* C 208 15.665 -1.468 -16.222 506 H3* C 208 H3* C 208 15.188 -0.513 -13.460 507 1H2* C 208 1H2* C 208 12.970 -1.182 -13.366 508 2HO* C 208 2HO* C 208 12.900 -1.701 -16.155 509 H1* C 208 H1* C 208 13.350 -3.481 -15.083 510 1H4 C 208 1H4 C 208 12.160 -6.156 -9.433 511 2H4 C 208 2H4 C 208 13.605 -5.434 -8.761 512 H5 C 208 H5 C 208 15.015 -3.960 -9.951 513 H6 C 208 H6 C 208 15.391 -2.807 -12.103 514 1H5* G 209 1H5* G 209 12.877 1.246 -16.170 515 2H5* G 209 2H5* G 209 12.021 2.788 -16.192 516 H4* G 209 H4* G 209 10.677 1.194 -15.031 517 H3* G 209 H3* G 209 11.962 2.934 -12.891 518 1H2* G 209 1H2* G 209 10.062 2.330 -11.673 519 2HO* G 209 2HO* G 209 8.659 3.048 -13.341 520 H1* G 209 H1* G 209 9.759 -0.226 -12.829 521 H8 G 209 H8 G 209 13.091 1.268 -11.659 522 H1 G 209 H1 G 209 10.394 -3.022 -7.633 523 1H2 G 209 1H2 G 209 8.567 -3.615 -8.381 524 2H2 G 209 2H2 G 209 7.868 -3.035 -9.877 525 1H5* G 210 1H5* G 210 10.619 7.181 -11.745 526 2H5* G 210 2H5* G 210 10.690 5.426 -11.594 527 H4* G 210 H4* G 210 8.436 5.197 -11.475 528 H3* G 210 H3* G 210 8.315 6.914 -13.733 529 1H2* G 210 1H2* G 210 7.405 8.796 -12.833 530 2HO* G 210 2HO* G 210 5.260 8.155 -11.697 531 H1* G 210 H1* G 210 6.899 7.811 -10.106 532 H8 G 210 H8 G 210 10.067 9.059 -11.884 533 H1 G 210 H1 G 210 7.743 12.935 -7.250 534 1H2 G 210 1H2 G 210 6.010 12.125 -6.480 535 2H2 G 210 2H2 G 210 5.294 10.619 -7.011 536 1H5* A 211 1H5* A 211 7.575 3.603 -10.226 537 2H5* A 211 2H5* A 211 8.043 2.254 -11.260 538 H4* A 211 H4* A 211 6.738 0.973 -10.002 539 H3* A 211 H3* A 211 4.988 1.937 -11.917 540 1H2* A 211 1H2* A 211 3.797 3.451 -10.622 541 2HO* A 211 2HO* A 211 2.006 2.199 -9.887 542 H1* A 211 H1* A 211 4.450 1.695 -8.196 543 H8 A 211 H8 A 211 4.811 5.412 -9.075 544 1H6 A 211 1H6 A 211 1.543 6.443 -3.859 545 2H6 A 211 2H6 A 211 2.380 7.220 -5.184 546 H2 A 211 H2 A 211 1.876 2.052 -4.444 547 1H5* G 212 1H5* G 212 3.435 -3.757 -9.268 548 2H5* G 212 2H5* G 212 3.372 -2.491 -8.042 549 H4* G 212 H4* G 212 5.615 -4.353 -8.742 550 H3* G 212 H3* G 212 3.869 -4.015 -6.467 551 1H2* G 212 1H2* G 212 5.305 -3.042 -4.996 552 2HO* G 212 2HO* G 212 6.151 -5.212 -4.908 553 H1* G 212 H1* G 212 7.561 -2.799 -6.922 554 H8 G 212 H8 G 212 4.439 -0.763 -5.973 555 H1 G 212 H1 G 212 10.117 2.210 -5.066 556 1H2 G 212 1H2 G 212 11.651 0.946 -5.615 557 2H2 G 212 2H2 G 212 11.432 -0.678 -6.231 558 1H5* G 213 1H5* G 213 2.637 -5.229 -8.029 559 2H5* G 213 2H5* G 213 1.430 -6.504 -8.196 560 H4* G 213 H4* G 213 1.983 -6.162 -10.385 561 H3* G 213 H3* G 213 3.744 -8.351 -9.341 562 1H2* G 213 1H2* G 213 5.004 -8.392 -11.276 563 2HO* G 213 2HO* G 213 2.973 -8.654 -12.432 564 H1* G 213 H1* G 213 4.861 -5.707 -12.013 565 H8 G 213 H8 G 213 5.377 -7.028 -8.442 566 H1 G 213 H1 G 213 10.648 -4.630 -11.330 567 1H2 G 213 1H2 G 213 10.176 -4.044 -13.251 568 2H2 G 213 2H2 G 213 8.588 -4.183 -13.971 569 1H5* C 214 1H5* C 214 1.468 -10.213 -12.599 570 2H5* C 214 2H5* C 214 1.580 -11.972 -12.555 571 H4* C 214 H4* C 214 2.866 -10.973 -14.398 572 H3* C 214 H3* C 214 4.447 -12.460 -12.285 573 1H2* C 214 1H2* C 214 6.291 -12.381 -13.757 574 2HO* C 214 2HO* C 214 5.843 -12.229 -15.932 575 H1* C 214 H1* C 214 5.964 -9.729 -14.485 576 1H4 C 214 1H4 C 214 9.760 -9.096 -9.423 577 2H4 C 214 2H4 C 214 8.522 -9.751 -8.374 578 H5 C 214 H5 C 214 6.429 -10.534 -9.136 579 H6 C 214 H6 C 214 4.992 -10.884 -11.114 580 1H5* U 215 1H5* U 215 4.791 -14.154 -15.676 581 2H5* U 215 2H5* U 215 5.089 -15.864 -15.987 582 H4* U 215 H4* U 215 6.953 -14.180 -16.509 583 H3* U 215 H3* U 215 7.299 -16.788 -15.080 584 1H2* U 215 1H2* U 215 9.214 -15.959 -14.148 585 2HO* U 215 2HO* U 215 10.230 -16.891 -15.879 586 H1* U 215 H1* U 215 9.602 -13.543 -15.764 587 H3 U 215 H3 U 215 11.087 -11.678 -11.977 588 H5 U 215 H5 U 215 7.356 -13.195 -10.833 589 H6 U 215 H6 U 215 7.163 -14.147 -13.085 590 1H5* A 216 1H5* A 216 10.442 -17.086 -18.388 591 2H5* A 216 2H5* A 216 10.416 -18.814 -18.742 592 H4* A 216 H4* A 216 12.628 -18.184 -18.068 593 H3* A 216 H3* A 216 11.113 -19.908 -16.137 594 1H2* A 216 1H2* A 216 12.861 -19.868 -14.606 595 2HO* A 216 2HO* A 216 14.673 -18.675 -16.404 596 H1* A 216 H1* A 216 13.686 -17.185 -15.329 597 H8 A 216 H8 A 216 10.149 -17.998 -14.200 598 1H6 A 216 1H6 A 216 11.970 -16.047 -8.557 599 2H6 A 216 2H6 A 216 10.595 -16.585 -9.496 600 H2 A 216 H2 A 216 15.523 -16.095 -11.225 601 1H5* G 217 1H5* G 217 14.512 -21.473 -17.071 602 2H5* G 217 2H5* G 217 15.007 -23.164 -17.027 603 H4* G 217 H4* G 217 15.984 -22.144 -15.144 604 H3* G 217 H3* G 217 13.484 -23.593 -14.200 605 1H2* G 217 1H2* G 217 14.370 -23.360 -12.058 606 2HO* G 217 2HO* G 217 16.865 -22.783 -13.369 607 H1* G 217 H1* G 217 15.720 -20.889 -12.648 608 H8 G 217 H8 G 217 12.016 -21.434 -13.353 609 H1 G 217 H1 G 217 13.330 -18.486 -7.743 610 1H2 G 217 1H2 G 217 15.369 -18.461 -7.439 611 2H2 G 217 2H2 G 217 16.547 -19.139 -8.539 612 1H5* U 218 1H5* U 218 16.666 -25.780 -13.062 613 2H5* U 218 2H5* U 218 16.525 -27.513 -12.769 614 H4* U 218 H4* U 218 16.962 -26.582 -10.672 615 H3* U 218 H3* U 218 13.957 -26.974 -10.873 616 1H2* U 218 1H2* U 218 13.925 -26.682 -8.532 617 2HO* U 218 2HO* U 218 16.218 -26.648 -7.564 618 H1* U 218 H1* U 218 15.811 -24.587 -8.555 619 H3 U 218 H3 U 218 12.250 -22.111 -7.424 620 H5 U 218 H5 U 218 11.190 -23.572 -11.203 621 H6 U 218 H6 U 218 13.262 -24.882 -11.169 622 1H5* C 219 1H5* C 219 15.468 -29.306 -8.295 623 2H5* C 219 2H5* C 219 15.079 -30.993 -7.958 624 H4* C 219 H4* C 219 14.648 -29.892 -5.952 625 H3* C 219 H3* C 219 12.036 -30.212 -7.449 626 1H2* C 219 1H2* C 219 10.929 -29.377 -5.578 627 2HO* C 219 2HO* C 219 13.048 -29.418 -3.807 628 H1* C 219 H1* C 219 12.795 -27.483 -4.795 629 1H4 C 219 1H4 C 219 9.095 -23.983 -8.601 630 2H4 C 219 2H4 C 219 9.539 -24.960 -9.983 631 H5 C 219 H5 C 219 10.954 -26.846 -9.862 632 H6 C 219 H6 C 219 12.305 -28.276 -8.370 633 1H5* C 220 1H5* C 220 11.908 -32.166 -4.190 634 2H5* C 220 2H5* C 220 11.326 -33.803 -3.885 635 H4* C 220 H4* C 220 10.142 -32.053 -2.588 636 H3* C 220 H3* C 220 8.834 -34.109 -4.179 637 1H2* C 220 1H2* C 220 7.391 -32.533 -5.111 638 2HO* C 220 2HO* C 220 5.632 -32.907 -3.817 639 H1* C 220 H1* C 220 7.257 -30.585 -2.920 640 1H4 C 220 1H4 C 220 7.815 -26.565 -7.807 641 2H4 C 220 2H4 C 220 8.870 -27.674 -8.654 642 H5 C 220 H5 C 220 9.534 -29.772 -7.797 643 H6 C 220 H6 C 220 9.350 -31.338 -5.898 No H/Q in entry = 643 Start of MODEL 17 1 H MET 1 HN MET 1 7.683 -12.829 5.341 2 HA MET 1 HA MET 1 5.213 -14.317 5.774 3 1HB MET 1 2HB MET 1 4.170 -12.077 6.097 4 2HB MET 1 3HB MET 1 5.542 -12.254 7.172 5 1HG MET 1 2HG MET 1 6.348 -11.158 4.557 6 2HG MET 1 3HG MET 1 5.127 -10.164 5.327 7 1HE MET 1 1HE MET 1 6.076 -8.276 5.832 8 2HE MET 1 2HE MET 1 7.359 -7.921 7.014 9 3HE MET 1 3HE MET 1 7.785 -8.364 5.343 10 H GLN 2 HN GLN 2 3.337 -13.610 4.288 11 HA GLN 2 HA GLN 2 3.904 -14.204 1.732 12 1HB GLN 2 2HB GLN 2 1.649 -12.840 3.131 13 2HB GLN 2 3HB GLN 2 1.697 -12.613 1.394 14 1HG GLN 2 2HG GLN 2 2.244 -15.409 2.085 15 2HG GLN 2 3HG GLN 2 0.730 -14.883 2.793 16 1HE2 GLN 2 2HE2 GLN 2 -1.075 -15.112 -0.136 17 2HE2 GLN 2 1HE2 GLN 2 -0.991 -15.090 1.594 18 H LYS 3 HN LYS 3 3.358 -12.615 -0.251 19 HA LYS 3 HA LYS 3 3.915 -10.855 -1.472 20 1HB LYS 3 2HB LYS 3 3.655 -9.696 1.182 21 2HB LYS 3 3HB LYS 3 4.881 -8.862 0.250 22 1HG LYS 3 2HG LYS 3 3.371 -8.128 -1.363 23 2HG LYS 3 3HG LYS 3 2.330 -9.528 -1.189 24 1HD LYS 3 2HD LYS 3 2.589 -7.378 0.962 25 2HD LYS 3 3HD LYS 3 1.376 -7.320 -0.302 26 1HE LYS 3 2HE LYS 3 1.679 -9.767 1.485 27 2HE LYS 3 3HE LYS 3 0.707 -8.395 1.979 28 1HZ LYS 3 1HZ LYS 3 0.006 -9.061 -0.661 29 2HZ LYS 3 2HZ LYS 3 -0.025 -10.435 0.210 30 H GLY 4 HN GLY 4 5.630 -12.764 -1.704 31 1HA GLY 4 1HA GLY 4 8.210 -12.470 -0.681 32 2HA GLY 4 2HA GLY 4 7.761 -13.312 -2.152 33 H ASN 5 HN ASN 5 6.462 -10.644 -3.139 34 HA ASN 5 HA ASN 5 8.587 -9.867 -4.705 35 1HB ASN 5 2HB ASN 5 5.856 -9.352 -4.620 36 2HB ASN 5 3HB ASN 5 6.509 -7.786 -4.178 37 1HD2 ASN 5 2HD2 ASN 5 7.583 -6.892 -7.345 38 2HD2 ASN 5 1HD2 ASN 5 7.337 -6.496 -5.677 39 H PHE 6 HN PHE 6 7.852 -9.224 -1.395 40 HA PHE 6 HA PHE 6 8.634 -6.592 -1.073 41 1HB PHE 6 2HB PHE 6 7.576 -8.277 0.578 42 2HB PHE 6 3HB PHE 6 9.150 -9.031 0.732 43 HD1 PHE 6 HD1 PHE 6 7.172 -6.042 1.515 44 HD2 PHE 6 HD2 PHE 6 10.905 -7.995 2.020 45 HE1 PHE 6 HE1 PHE 6 7.761 -4.440 3.354 46 HE2 PHE 6 HE2 PHE 6 11.494 -6.392 3.860 47 HZ PHE 6 HZ PHE 6 9.916 -4.634 4.504 48 H ARG 7 HN ARG 7 10.511 -9.415 -1.926 49 HA ARG 7 HA ARG 7 12.913 -8.761 -0.777 50 1HB ARG 7 2HB ARG 7 12.204 -10.225 -3.358 51 2HB ARG 7 3HB ARG 7 13.866 -10.076 -2.823 52 1HG ARG 7 2HG ARG 7 12.017 -10.980 -0.684 53 2HG ARG 7 3HG ARG 7 12.094 -12.081 -2.045 54 1HD ARG 7 2HD ARG 7 13.864 -12.843 -0.679 55 2HD ARG 7 3HD ARG 7 14.699 -11.832 -1.841 56 HE ARG 7 HE ARG 7 15.140 -10.250 -0.147 57 1HH1 ARG 7 2HH2 ARG 7 12.816 -12.649 1.034 58 2HH1 ARG 7 1HH2 ARG 7 12.919 -12.121 2.680 59 HH2 ARG 7 HH1 ARG 7 14.371 -10.300 3.239 60 H ASN 8 HN ASN 8 11.102 -7.045 -3.115 61 HA ASN 8 HA ASN 8 12.999 -6.158 -4.870 62 1HB ASN 8 2HB ASN 8 10.542 -5.706 -5.057 63 2HB ASN 8 3HB ASN 8 10.626 -4.627 -3.680 64 1HD2 ASN 8 1HD2 ASN 8 10.343 -2.651 -4.383 65 2HD2 ASN 8 2HD2 ASN 8 11.152 -1.886 -5.710 66 H GLN 9 HN GLN 9 12.108 -5.097 -1.545 67 HA GLN 9 HA GLN 9 13.549 -2.731 -1.541 68 1HB GLN 9 2HB GLN 9 12.621 -4.611 0.655 69 2HB GLN 9 3HB GLN 9 13.519 -3.154 1.032 70 1HG GLN 9 2HG GLN 9 11.374 -2.280 1.118 71 2HG GLN 9 3HG GLN 9 11.703 -2.013 -0.582 72 1HE2 GLN 9 2HE2 GLN 9 9.202 -4.074 -1.788 73 2HE2 GLN 9 1HE2 GLN 9 10.436 -2.889 -2.059 74 H ARG 10 HN ARG 10 14.635 -5.958 -1.774 75 HA ARG 10 HA ARG 10 16.878 -5.878 -0.164 76 1HB ARG 10 2HB ARG 10 17.549 -7.872 -1.308 77 2HB ARG 10 3HB ARG 10 15.798 -7.893 -1.385 78 1HG ARG 10 2HG ARG 10 16.042 -6.696 -3.679 79 2HG ARG 10 3HG ARG 10 17.744 -7.104 -3.591 80 1HD ARG 10 2HD ARG 10 17.314 -9.456 -3.653 81 2HD ARG 10 3HD ARG 10 15.634 -9.255 -3.193 82 HE ARG 10 HE ARG 10 15.106 -8.949 -5.444 83 1HH1 ARG 10 2HH2 ARG 10 18.540 -8.192 -5.000 84 2HH1 ARG 10 1HH2 ARG 10 18.832 -7.945 -6.688 85 HH2 ARG 10 HH1 ARG 10 17.024 -8.204 -8.242 86 H LYS 11 HN LYS 11 16.092 -4.036 -2.924 87 HA LYS 11 HA LYS 11 18.940 -3.546 -3.462 88 1HB LYS 11 2HB LYS 11 17.998 -4.592 -5.395 89 2HB LYS 11 3HB LYS 11 16.577 -3.567 -5.353 90 1HG LYS 11 2HG LYS 11 17.714 -1.703 -6.192 91 2HG LYS 11 3HG LYS 11 19.255 -2.200 -5.521 92 1HD LYS 11 2HD LYS 11 19.837 -3.260 -7.443 93 2HD LYS 11 3HD LYS 11 18.349 -4.186 -7.453 94 1HE LYS 11 2HE LYS 11 18.273 -1.269 -8.270 95 2HE LYS 11 3HE LYS 11 18.871 -2.457 -9.410 96 1HZ LYS 11 1HZ LYS 11 16.724 -3.708 -8.935 97 2HZ LYS 11 2HZ LYS 11 16.179 -2.372 -8.181 98 H THR 12 HN THR 12 17.497 -2.368 -1.283 99 HA THR 12 HA THR 12 16.693 -0.403 -0.507 100 HB THR 12 HB THR 12 19.331 -0.376 -0.907 101 HG1 THR 12 HG1 THR 12 17.868 0.922 0.575 102 1HG2 THR 12 1HG2 THR 12 18.541 0.829 -3.310 103 2HG2 THR 12 2HG2 THR 12 18.855 2.224 -2.250 104 3HG2 THR 12 3HG2 THR 12 20.136 1.023 -2.544 105 H VAL 13 HN VAL 13 15.061 -1.134 -2.608 106 HA VAL 13 HA VAL 13 14.796 0.467 -4.752 107 HB VAL 13 HB VAL 13 12.351 0.114 -4.502 108 1HG1 VAL 13 3HG1 VAL 13 14.437 -1.946 -4.525 109 2HG1 VAL 13 1HG1 VAL 13 12.851 -2.560 -4.002 110 3HG1 VAL 13 2HG1 VAL 13 13.014 -1.742 -5.574 111 1HG2 VAL 13 2HG2 VAL 13 13.201 -0.763 -1.752 112 2HG2 VAL 13 3HG2 VAL 13 11.827 0.256 -2.244 113 3HG2 VAL 13 1HG2 VAL 13 11.778 -1.501 -2.525 114 H LYS 14 HN LYS 14 13.563 2.436 -5.223 115 HA LYS 14 HA LYS 14 13.797 4.318 -2.996 116 1HB LYS 14 2HB LYS 14 15.047 5.247 -4.662 117 2HB LYS 14 3HB LYS 14 14.126 4.493 -5.947 118 1HG LYS 14 2HG LYS 14 12.644 6.495 -4.281 119 2HG LYS 14 3HG LYS 14 13.918 7.140 -5.296 120 1HD LYS 14 2HD LYS 14 11.822 5.231 -6.406 121 2HD LYS 14 3HD LYS 14 11.528 6.956 -6.319 122 1HE LYS 14 2HE LYS 14 12.600 7.146 -8.314 123 2HE LYS 14 3HE LYS 14 14.092 6.790 -7.467 124 1HZ LYS 14 1HZ LYS 14 13.769 4.444 -7.926 125 2HZ LYS 14 2HZ LYS 14 12.306 4.699 -8.593 126 H CYS 15 HN CYS 15 12.014 5.132 -2.020 127 HA CYS 15 HA CYS 15 9.505 4.104 -2.630 128 1HB CYS 15 2HB CYS 15 10.142 4.916 -0.394 129 2HB CYS 15 3HB CYS 15 10.223 6.559 -0.995 130 H PHE 16 HN PHE 16 8.112 4.659 -4.271 131 HA PHE 16 HA PHE 16 8.755 6.942 -5.892 132 1HB PHE 16 2HB PHE 16 6.796 4.605 -5.850 133 2HB PHE 16 3HB PHE 16 6.463 5.940 -6.936 134 HD1 PHE 16 HD1 PHE 16 9.240 6.636 -7.782 135 HD2 PHE 16 HD2 PHE 16 7.350 2.867 -7.305 136 HE1 PHE 16 HE1 PHE 16 10.796 5.641 -9.481 137 HE2 PHE 16 HE2 PHE 16 8.907 1.871 -9.004 138 HZ PHE 16 HZ PHE 16 10.610 3.271 -10.072 139 H ASN 17 HN ASN 17 7.550 7.028 -2.963 140 HA ASN 17 HA ASN 17 5.280 8.705 -3.690 141 1HB ASN 17 2HB ASN 17 5.020 6.638 -2.084 142 2HB ASN 17 3HB ASN 17 5.858 7.618 -0.899 143 1HD2 ASN 17 2HD2 ASN 17 2.636 8.584 0.105 144 2HD2 ASN 17 1HD2 ASN 17 4.008 7.573 0.405 145 H CYS 18 HN CYS 18 8.157 8.287 -1.520 146 HA CYS 18 HA CYS 18 8.122 11.183 -1.081 147 1HB CYS 18 2HB CYS 18 9.506 10.703 0.942 148 2HB CYS 18 3HB CYS 18 7.881 10.048 1.018 149 H GLY 19 HN GLY 19 10.001 8.257 -1.980 150 1HA GLY 19 1HA GLY 19 11.593 8.467 -3.763 151 2HA GLY 19 2HA GLY 19 12.063 10.033 -3.133 152 H LYS 20 HN LYS 20 11.718 8.746 -0.269 153 HA LYS 20 HA LYS 20 14.418 8.283 0.174 154 1HB LYS 20 2HB LYS 20 11.930 8.249 1.690 155 2HB LYS 20 3HB LYS 20 13.029 6.998 2.235 156 1HG LYS 20 2HG LYS 20 14.798 9.069 1.967 157 2HG LYS 20 3HG LYS 20 13.343 9.974 2.330 158 1HD LYS 20 2HD LYS 20 13.499 7.681 4.109 159 2HD LYS 20 3HD LYS 20 15.021 8.547 4.159 160 1HE LYS 20 2HE LYS 20 14.038 10.523 4.975 161 2HE LYS 20 3HE LYS 20 12.469 10.158 4.284 162 1HZ LYS 20 1HZ LYS 20 13.479 9.439 6.856 163 2HZ LYS 20 2HZ LYS 20 11.942 9.394 6.321 164 H GLU 21 HN GLU 21 15.722 6.471 0.209 165 HA GLU 21 HA GLU 21 14.606 4.205 -1.156 166 1HB GLU 21 2HB GLU 21 17.361 5.212 -0.508 167 2HB GLU 21 3HB GLU 21 17.182 3.486 -0.751 168 1HG GLU 21 2HG GLU 21 17.058 3.765 -2.996 169 2HG GLU 21 3HG GLU 21 15.690 4.848 -2.823 170 HE2 GLU 21 HE2 GLU 21 17.929 5.073 -4.575 171 H GLY 22 HN GLY 22 14.523 2.054 -0.321 172 1HA GLY 22 1HA GLY 22 15.340 0.641 1.575 173 2HA GLY 22 2HA GLY 22 14.754 1.916 2.626 174 H HIS 23 HN HIS 23 12.347 2.635 1.188 175 HA HIS 23 HA HIS 23 10.853 0.123 1.273 176 1HB HIS 23 2HB HIS 23 9.167 1.021 2.644 177 2HB HIS 23 3HB HIS 23 10.680 1.422 3.431 178 HD1 HIS 23 HD1 HIS 23 11.212 3.890 3.805 179 HD2 HIS 23 HD2 HIS 23 7.858 3.275 1.362 180 HE1 HIS 23 HE1 HIS 23 10.114 6.176 3.509 181 H ILE 24 HN ILE 24 8.757 0.242 0.083 182 HA ILE 24 HA ILE 24 9.029 2.132 -2.141 183 HB ILE 24 HB ILE 24 7.882 0.553 -3.489 184 1HG1 ILE 24 2HG1 ILE 24 7.492 -1.190 -1.039 185 2HG1 ILE 24 3HG1 ILE 24 6.249 -0.168 -1.734 186 1HG2 ILE 24 2HG2 ILE 24 10.046 -0.685 -1.783 187 2HG2 ILE 24 3HG2 ILE 24 9.369 -1.482 -3.223 188 3HG2 ILE 24 1HG2 ILE 24 10.196 0.087 -3.379 189 1HD1 ILE 24 1HD1 ILE 24 6.456 -1.380 -3.907 190 2HD1 ILE 24 2HD1 ILE 24 7.703 -2.426 -3.187 191 3HD1 ILE 24 3HD1 ILE 24 6.034 -2.480 -2.573 192 H ALA 25 HN ALA 25 6.999 3.038 -3.052 193 HA ALA 25 HA ALA 25 5.534 4.390 -1.204 194 1HB ALA 25 1HB ALA 25 4.824 3.483 -4.019 195 2HB ALA 25 2HB ALA 25 3.885 4.683 -3.098 196 3HB ALA 25 3HB ALA 25 5.577 5.021 -3.533 197 H LYS 26 HN LYS 26 5.024 1.094 -2.500 198 HA LYS 26 HA LYS 26 2.425 0.736 -1.569 199 1HB LYS 26 2HB LYS 26 4.587 -1.365 -1.885 200 2HB LYS 26 3HB LYS 26 2.855 -1.633 -1.874 201 1HG LYS 26 2HG LYS 26 3.880 0.375 -3.859 202 2HG LYS 26 3HG LYS 26 4.295 -1.300 -4.164 203 1HD LYS 26 2HD LYS 26 1.485 -1.087 -3.387 204 2HD LYS 26 3HD LYS 26 1.821 -0.006 -4.724 205 1HE LYS 26 2HE LYS 26 3.134 -2.170 -5.666 206 2HE LYS 26 3HE LYS 26 2.014 -3.013 -4.615 207 1HZ LYS 26 1HZ LYS 26 0.352 -2.605 -6.056 208 2HZ LYS 26 2HZ LYS 26 0.671 -1.010 -6.143 209 H ASN 27 HN ASN 27 5.633 0.124 -0.012 210 HA ASN 27 HA ASN 27 4.246 -0.566 2.414 211 1HB ASN 27 2HB ASN 27 7.223 -0.461 1.695 212 2HB ASN 27 3HB ASN 27 6.625 -0.962 3.264 213 1HD2 ASN 27 2HD2 ASN 27 7.076 -3.670 0.441 214 2HD2 ASN 27 1HD2 ASN 27 7.889 -2.150 0.621 215 H CYS 28 HN CYS 28 4.712 2.256 0.931 216 HA CYS 28 HA CYS 28 6.189 3.705 2.906 217 1HB CYS 28 2HB CYS 28 6.274 4.353 0.534 218 2HB CYS 28 3HB CYS 28 4.553 4.685 0.543 219 H ARG 29 HN ARG 29 5.308 4.976 4.582 220 HA ARG 29 HA ARG 29 2.622 4.333 5.250 221 1HB ARG 29 2HB ARG 29 4.998 5.229 6.627 222 2HB ARG 29 3HB ARG 29 3.721 6.377 6.980 223 1HG ARG 29 2HG ARG 29 2.379 3.959 7.233 224 2HG ARG 29 3HG ARG 29 3.982 3.532 7.798 225 1HD ARG 29 2HD ARG 29 3.941 5.383 9.441 226 2HD ARG 29 3HD ARG 29 2.396 5.935 8.826 227 HE ARG 29 HE ARG 29 2.433 3.127 9.727 228 1HH1 ARG 29 2HH2 ARG 29 1.770 6.491 10.615 229 2HH1 ARG 29 1HH2 ARG 29 0.749 6.069 11.948 230 HH2 ARG 29 HH1 ARG 29 0.360 3.756 12.442 231 H ALA 30 HN ALA 30 4.456 7.055 3.888 232 HA ALA 30 HA ALA 30 2.740 9.149 4.428 233 1HB ALA 30 2HB ALA 30 4.475 8.586 1.989 234 2HB ALA 30 3HB ALA 30 3.777 10.170 2.402 235 3HB ALA 30 1HB ALA 30 4.978 9.419 3.480 236 HA PRO 31 HA PRO 31 -0.728 8.395 1.958 237 1HB PRO 31 2HB PRO 31 -1.622 10.922 1.427 238 2HB PRO 31 3HB PRO 31 -1.911 10.105 2.950 239 1HG PRO 31 2HG PRO 31 -0.003 12.281 2.348 240 2HG PRO 31 3HG PRO 31 -0.608 11.749 3.906 241 1HD PRO 31 2HD PRO 31 1.974 11.193 2.785 242 2HD PRO 31 3HD PRO 31 1.327 10.567 4.288 243 H ARG 32 HN ARG 32 -1.681 8.292 -0.137 244 HA ARG 32 HA ARG 32 0.216 8.114 -2.079 245 1HB ARG 32 2HB ARG 32 -2.484 7.527 -1.861 246 2HB ARG 32 3HB ARG 32 -2.522 8.826 -3.036 247 1HG ARG 32 2HG ARG 32 -2.127 7.124 -4.530 248 2HG ARG 32 3HG ARG 32 -0.456 7.386 -4.072 249 1HD ARG 32 2HD ARG 32 -2.184 5.469 -2.469 250 2HD ARG 32 3HD ARG 32 -1.455 4.942 -3.973 251 HE ARG 32 HE ARG 32 0.726 5.183 -3.005 252 1HH1 ARG 32 2HH2 ARG 32 -1.836 6.093 -0.733 253 2HH1 ARG 32 1HH2 ARG 32 -0.798 6.036 0.653 254 HH2 ARG 32 HH1 ARG 32 1.509 5.452 0.368 255 H LYS 33 HN LYS 33 1.514 9.827 -2.720 256 HA LYS 33 HA LYS 33 0.108 12.271 -3.530 257 1HB LYS 33 2HB LYS 33 1.671 12.151 -1.300 258 2HB LYS 33 3HB LYS 33 2.868 12.584 -2.505 259 1HG LYS 33 2HG LYS 33 0.632 14.206 -3.122 260 2HG LYS 33 3HG LYS 33 0.702 14.212 -1.371 261 1HD LYS 33 2HD LYS 33 3.366 14.514 -2.631 262 2HD LYS 33 3HD LYS 33 2.255 15.797 -3.068 263 1HE LYS 33 2HE LYS 33 1.732 16.065 -0.571 264 2HE LYS 33 3HE LYS 33 3.037 14.942 -0.243 265 1HZ LYS 33 1HZ LYS 33 4.212 16.891 -0.220 266 2HZ LYS 33 2HZ LYS 33 4.307 16.649 -1.828 267 H LYS 34 HN LYS 34 1.930 13.651 -4.873 268 HA LYS 34 HA LYS 34 3.501 11.866 -6.517 269 1HB LYS 34 2HB LYS 34 0.973 13.169 -7.450 270 2HB LYS 34 3HB LYS 34 2.325 13.095 -8.562 271 1HG LYS 34 2HG LYS 34 2.487 10.626 -8.208 272 2HG LYS 34 3HG LYS 34 1.145 10.694 -7.084 273 1HD LYS 34 2HD LYS 34 0.597 11.962 -9.724 274 2HD LYS 34 3HD LYS 34 0.901 10.238 -9.802 275 1HE LYS 34 2HE LYS 34 -0.827 10.680 -7.547 276 2HE LYS 34 3HE LYS 34 -1.481 11.608 -8.883 277 1HZ LYS 34 1HZ LYS 34 -0.929 9.318 -10.128 278 2HZ LYS 34 2HZ LYS 34 -1.214 8.719 -8.639 279 H GLY 35 HN GLY 35 4.638 13.510 -4.771 280 1HA GLY 35 1HA GLY 35 5.135 16.071 -6.129 281 2HA GLY 35 2HA GLY 35 5.498 15.679 -4.461 282 H CYS 36 HN CYS 36 6.982 16.363 -7.292 283 HA CYS 36 HA CYS 36 8.782 14.304 -7.709 284 1HB CYS 36 2HB CYS 36 8.558 16.006 -9.367 285 2HB CYS 36 3HB CYS 36 8.957 17.280 -8.233 286 H TRP 37 HN TRP 37 10.328 13.493 -6.337 287 HA TRP 37 HA TRP 37 11.015 15.008 -3.979 288 1HB TRP 37 2HB TRP 37 12.504 12.567 -4.311 289 2HB TRP 37 3HB TRP 37 11.358 13.025 -3.067 290 HD1 TRP 37 HD1 TRP 37 8.662 12.462 -3.690 291 HE1 TRP 37 HE1 TRP 37 7.550 10.494 -5.051 292 HE3 TRP 37 HE3 TRP 37 12.881 11.097 -6.179 293 HZ2 TRP 37 HZ2 TRP 37 8.537 8.630 -6.973 294 HZ3 TRP 37 HZ3 TRP 37 12.721 9.193 -7.779 295 HH2 TRP 37 HH2 TRP 37 10.644 7.973 -8.193 296 H LYS 38 HN LYS 38 11.760 16.254 -6.473 297 HA LYS 38 HA LYS 38 14.671 16.123 -6.172 298 1HB LYS 38 2HB LYS 38 13.358 15.093 -8.369 299 2HB LYS 38 3HB LYS 38 13.742 16.719 -8.898 300 1HG LYS 38 2HG LYS 38 15.636 15.336 -9.477 301 2HG LYS 38 3HG LYS 38 16.137 16.335 -8.127 302 1HD LYS 38 2HD LYS 38 15.313 14.300 -6.646 303 2HD LYS 38 3HD LYS 38 15.440 13.384 -8.134 304 1HE LYS 38 2HE LYS 38 17.742 15.112 -7.140 305 2HE LYS 38 3HE LYS 38 17.530 13.466 -6.577 306 1HZ LYS 38 1HZ LYS 38 17.565 12.764 -8.954 307 2HZ LYS 38 2HZ LYS 38 17.895 14.293 -9.407 308 H CYS 39 HN CYS 39 11.806 17.952 -7.421 309 HA CYS 39 HA CYS 39 13.297 20.395 -6.809 310 1HB CYS 39 2HB CYS 39 11.615 21.516 -8.309 311 2HB CYS 39 3HB CYS 39 12.693 20.392 -9.114 312 H GLY 40 HN GLY 40 10.385 18.417 -6.250 313 1HA GLY 40 1HA GLY 40 9.209 18.454 -4.238 314 2HA GLY 40 2HA GLY 40 9.732 20.100 -3.942 315 H LYS 41 HN LYS 41 8.625 19.244 -7.188 316 HA LYS 41 HA LYS 41 6.299 20.949 -6.745 317 1HB LYS 41 2HB LYS 41 8.226 20.840 -8.766 318 2HB LYS 41 3HB LYS 41 6.807 20.113 -9.493 319 1HG LYS 41 2HG LYS 41 5.609 22.225 -8.259 320 2HG LYS 41 3HG LYS 41 7.204 22.914 -8.487 321 1HD LYS 41 2HD LYS 41 6.916 21.931 -10.966 322 2HD LYS 41 3HD LYS 41 5.211 22.012 -10.570 323 1HE LYS 41 2HE LYS 41 5.921 24.483 -9.716 324 2HE LYS 41 3HE LYS 41 7.196 24.252 -10.896 325 1HZ LYS 41 1HZ LYS 41 4.375 23.733 -11.618 326 2HZ LYS 41 2HZ LYS 41 4.994 25.236 -11.716 327 H GLU 42 HN GLU 42 4.240 20.170 -6.731 328 HA GLU 42 HA GLU 42 4.001 17.313 -6.970 329 1HB GLU 42 2HB GLU 42 1.791 17.622 -5.951 330 2HB GLU 42 3HB GLU 42 2.998 18.492 -5.025 331 1HG GLU 42 2HG GLU 42 1.727 20.355 -5.261 332 2HG GLU 42 3HG GLU 42 2.159 20.363 -6.960 333 HE2 GLU 42 HE2 GLU 42 -0.350 20.564 -5.128 334 H GLY 43 HN GLY 43 3.302 16.314 -8.809 335 1HA GLY 43 1HA GLY 43 1.257 16.540 -10.359 336 2HA GLY 43 2HA GLY 43 2.073 17.999 -10.886 337 H HIS 44 HN HIS 44 4.777 17.279 -10.885 338 HA HIS 44 HA HIS 44 4.756 15.254 -12.988 339 1HB HIS 44 2HB HIS 44 6.652 16.301 -13.905 340 2HB HIS 44 3HB HIS 44 5.556 17.597 -13.472 341 HD1 HIS 44 HD1 HIS 44 6.359 19.326 -11.765 342 HD2 HIS 44 HD2 HIS 44 8.961 16.061 -12.172 343 HE1 HIS 44 HE1 HIS 44 8.485 19.943 -10.495 344 H GLN 45 HN GLN 45 7.218 14.237 -13.079 345 HA GLN 45 HA GLN 45 7.802 13.408 -10.348 346 1HB GLN 45 2HB GLN 45 8.071 11.085 -11.084 347 2HB GLN 45 3HB GLN 45 6.457 11.645 -11.473 348 1HG GLN 45 2HG GLN 45 7.936 12.346 -13.752 349 2HG GLN 45 3HG GLN 45 8.637 10.810 -13.283 350 1HE2 GLN 45 2HE2 GLN 45 6.074 8.892 -14.560 351 2HE2 GLN 45 1HE2 GLN 45 7.717 9.074 -14.044 352 H MET 46 HN MET 46 10.052 12.399 -10.157 353 HA MET 46 HA MET 46 11.932 14.118 -11.076 354 1HB MET 46 2HB MET 46 12.302 12.520 -9.222 355 2HB MET 46 3HB MET 46 12.144 11.156 -10.310 356 1HG MET 46 2HG MET 46 14.168 12.654 -11.522 357 2HG MET 46 3HG MET 46 14.485 12.907 -9.817 358 1HE MET 46 3HE MET 46 14.658 10.968 -12.769 359 2HE MET 46 1HE MET 46 15.372 9.392 -12.351 360 3HE MET 46 2HE MET 46 13.608 9.615 -12.286 361 H LYS 47 HN LYS 47 10.860 10.991 -12.531 362 HA LYS 47 HA LYS 47 12.792 10.819 -14.503 363 1HB LYS 47 2HB LYS 47 11.281 8.996 -13.889 364 2HB LYS 47 3HB LYS 47 9.908 9.882 -14.522 365 1HG LYS 47 2HG LYS 47 12.262 9.442 -16.356 366 2HG LYS 47 3HG LYS 47 11.229 8.069 -16.008 367 1HD LYS 47 2HD LYS 47 10.244 10.762 -17.066 368 2HD LYS 47 3HD LYS 47 10.510 9.339 -18.054 369 1HE LYS 47 2HE LYS 47 8.829 8.710 -15.727 370 2HE LYS 47 3HE LYS 47 8.138 10.016 -16.670 371 1HZ LYS 47 1HZ LYS 47 8.527 8.526 -18.671 372 2HZ LYS 47 2HZ LYS 47 8.841 7.306 -17.638 373 H ASP 48 HN ASP 48 9.785 12.748 -14.300 374 HA ASP 48 HA ASP 48 10.487 13.840 -16.909 375 1HB ASP 48 2HB ASP 48 8.122 12.734 -16.270 376 2HB ASP 48 3HB ASP 48 7.813 14.319 -15.589 377 HD1 ASP 48 HD2 ASP 48 8.603 16.001 -18.255 378 H CYS 49 HN CYS 49 11.763 14.587 -14.354 379 HA CYS 49 HA CYS 49 10.615 16.728 -13.082 380 1HB CYS 49 2HB CYS 49 12.663 15.502 -12.346 381 2HB CYS 49 3HB CYS 49 13.578 16.314 -13.601 382 H THR 50 HN THR 50 9.826 18.574 -14.040 383 HA THR 50 HA THR 50 10.875 19.437 -16.578 384 HB THR 50 HB THR 50 8.439 19.479 -16.008 385 HG1 THR 50 HG1 THR 50 8.837 21.138 -17.448 386 1HG2 THR 50 3HG2 THR 50 9.478 21.025 -13.683 387 2HG2 THR 50 1HG2 THR 50 8.122 21.809 -14.529 388 3HG2 THR 50 2HG2 THR 50 7.929 20.168 -13.866 389 H GLU 51 HN GLU 51 12.172 19.624 -13.572 390 HA GLU 51 HA GLU 51 13.607 21.990 -14.340 391 1HB GLU 51 2HB GLU 51 12.009 21.786 -11.762 392 2HB GLU 51 3HB GLU 51 13.366 22.882 -11.922 393 1HG GLU 51 2HG GLU 51 12.291 24.033 -13.809 394 2HG GLU 51 3HG GLU 51 10.992 22.855 -13.843 395 HE2 GLU 51 HE2 GLU 51 9.087 24.644 -11.944 396 H ARG 52 HN ARG 52 15.036 19.989 -14.701 397 HA ARG 52 HA ARG 52 15.905 18.597 -12.428 398 1HB ARG 52 2HB ARG 52 16.541 18.694 -15.328 399 2HB ARG 52 3HB ARG 52 17.930 18.302 -14.335 400 1HG ARG 52 2HG ARG 52 17.134 16.221 -13.858 401 2HG ARG 52 3HG ARG 52 15.548 16.838 -13.437 402 1HD ARG 52 2HD ARG 52 15.105 15.494 -15.337 403 2HD ARG 52 3HD ARG 52 15.173 17.109 -16.012 404 HE ARG 52 HE ARG 52 17.748 15.671 -15.986 405 1HH1 ARG 52 2HH2 ARG 52 14.844 16.475 -17.850 406 2HH1 ARG 52 1HH2 ARG 52 15.582 16.134 -19.380 407 HH2 ARG 52 HH1 ARG 52 17.862 15.398 -19.446 408 H GLN 53 HN GLN 53 16.355 20.589 -11.057 409 HA GLN 53 HA GLN 53 19.102 21.066 -11.001 410 1HB GLN 53 2HB GLN 53 18.412 22.597 -12.917 411 2HB GLN 53 3HB GLN 53 17.446 23.506 -11.772 412 1HG GLN 53 2HG GLN 53 20.099 23.129 -10.657 413 2HG GLN 53 3HG GLN 53 20.257 23.751 -12.288 414 1HE2 GLN 53 2HE2 GLN 53 18.489 26.815 -11.684 415 2HE2 GLN 53 1HE2 GLN 53 18.712 25.556 -12.854 416 H ALA 54 HN ALA 54 19.091 20.613 -8.809 417 HA ALA 54 HA ALA 54 17.473 22.428 -7.161 418 1HB ALA 54 1HB ALA 54 16.469 20.160 -7.229 419 2HB ALA 54 2HB ALA 54 18.011 19.470 -6.673 420 3HB ALA 54 3HB ALA 54 17.090 20.559 -5.609 421 H ASN 55 HN ASN 55 20.147 19.964 -6.955 422 HA ASN 55 HA ASN 55 22.084 20.012 -5.984 423 1HB ASN 55 2HB ASN 55 22.448 21.979 -7.549 424 2HB ASN 55 3HB ASN 55 21.939 23.060 -6.267 425 1HD2 ASN 55 2HD2 ASN 55 25.539 23.203 -6.050 426 2HD2 ASN 55 1HD2 ASN 55 24.209 23.774 -7.001 427 1H5* G 201 1H5* G 201 0.243 -19.958 -4.987 428 2H5* G 201 2H5* G 201 1.237 -18.719 -4.221 429 H4* G 201 H4* G 201 1.152 -20.965 -3.072 430 H3* G 201 H3* G 201 3.905 -19.952 -3.880 431 1H2* G 201 1H2* G 201 4.675 -21.390 -2.173 432 2HO* G 201 2HO* G 201 2.836 -22.260 -0.766 433 H1* G 201 H1* G 201 2.941 -23.478 -2.784 434 H8 G 201 H8 G 201 4.608 -21.225 -5.407 435 H1 G 201 H1 G 201 7.250 -27.087 -4.672 436 1H2 G 201 1H2 G 201 6.276 -28.097 -3.162 437 2H2 G 201 2H2 G 201 4.942 -27.453 -2.233 438 1H5* G 202 1H5* G 202 3.854 -19.643 -0.072 439 2H5* G 202 2H5* G 202 4.377 -18.144 0.694 440 H4* G 202 H4* G 202 5.719 -19.739 1.696 441 H3* G 202 H3* G 202 7.231 -18.467 -0.575 442 1H2* G 202 1H2* G 202 9.128 -19.758 -0.044 443 2HO* G 202 2HO* G 202 8.758 -19.355 2.231 444 H1* G 202 H1* G 202 7.742 -22.148 0.338 445 H8 G 202 H8 G 202 6.832 -19.639 -2.413 446 H1 G 202 H1 G 202 10.352 -24.719 -4.332 447 1H2 G 202 1H2 G 202 10.842 -25.875 -2.696 448 2H2 G 202 2H2 G 202 10.369 -25.521 -1.050 449 1H5* A 203 1H5* A 203 10.501 -18.600 2.922 450 2H5* A 203 2H5* A 203 10.947 -16.919 2.638 451 H4* A 203 H4* A 203 12.842 -18.510 2.477 452 H3* A 203 H3* A 203 12.120 -16.680 0.235 453 1H2* A 203 1H2* A 203 13.712 -17.600 -1.209 454 2HO* A 203 2HO* A 203 15.533 -18.485 -0.270 455 H1* A 203 H1* A 203 13.293 -20.284 -0.337 456 H8 A 203 H8 A 203 10.409 -17.959 -1.248 457 1H6 A 203 1H6 A 203 10.449 -20.835 -6.788 458 2H6 A 203 2H6 A 203 9.606 -19.655 -5.809 459 H2 A 203 H2 A 203 13.873 -22.363 -4.403 460 1H5* C 204 1H5* C 204 16.325 -16.529 0.774 461 2H5* C 204 2H5* C 204 17.013 -14.947 0.411 462 H4* C 204 H4* C 204 18.004 -16.510 -1.072 463 H3* C 204 H3* C 204 15.960 -14.747 -2.415 464 1H2* C 204 1H2* C 204 16.548 -15.686 -4.498 465 2HO* C 204 2HO* C 204 18.662 -16.895 -2.959 466 H1* C 204 H1* C 204 16.672 -18.328 -3.466 467 1H4 C 204 1H4 C 204 10.969 -18.228 -6.289 468 2H4 C 204 2H4 C 204 10.389 -17.055 -5.127 469 H5 C 204 H5 C 204 11.737 -16.099 -3.439 470 H6 C 204 H6 C 204 13.994 -16.032 -2.441 471 1H5* U 205 1H5* U 205 20.007 -13.990 -3.195 472 2H5* U 205 2H5* U 205 20.782 -12.487 -3.698 473 H4* U 205 H4* U 205 21.133 -14.066 -5.425 474 H3* U 205 H3* U 205 19.173 -11.911 -6.068 475 1H2* U 205 1H2* U 205 18.543 -12.881 -8.078 476 2HO* U 205 2HO* U 205 20.597 -14.780 -8.128 477 H1* U 205 H1* U 205 18.918 -15.594 -7.197 478 H3 U 205 H3 U 205 14.575 -15.792 -8.380 479 H5 U 205 H5 U 205 14.570 -13.122 -5.154 480 H6 U 205 H6 U 205 17.018 -13.246 -5.174 481 1H5* A 206 1H5* A 206 21.166 -11.911 -8.975 482 2H5* A 206 2H5* A 206 21.922 -10.577 -9.846 483 H4* A 206 H4* A 206 20.172 -11.193 -11.231 484 H3* A 206 H3* A 206 19.018 -8.977 -9.497 485 1H2* A 206 1H2* A 206 17.281 -8.928 -11.027 486 2HO* A 206 2HO* A 206 17.833 -9.200 -13.191 487 H1* A 206 H1* A 206 17.626 -11.693 -11.840 488 H8 A 206 H8 A 206 16.984 -10.697 -8.231 489 1H6 A 206 1H6 A 206 11.001 -12.053 -9.374 490 2H6 A 206 2H6 A 206 12.138 -11.598 -8.125 491 H2 A 206 H2 A 206 13.248 -12.352 -13.196 492 1H5* G 207 1H5* G 207 19.778 -7.717 -13.081 493 2H5* G 207 2H5* G 207 19.845 -6.059 -13.676 494 H4* G 207 H4* G 207 17.759 -6.925 -14.348 495 H3* G 207 H3* G 207 17.281 -5.240 -11.861 496 1H2* G 207 1H2* G 207 15.045 -5.301 -12.473 497 2HO* G 207 2HO* G 207 14.934 -6.014 -14.978 498 H1* G 207 H1* G 207 15.305 -7.829 -13.887 499 H8 G 207 H8 G 207 16.184 -7.435 -10.213 500 H1 G 207 H1 G 207 10.196 -9.605 -11.352 501 1H2 G 207 1H2 G 207 9.812 -9.537 -13.378 502 2H2 G 207 2H2 G 207 10.945 -8.976 -14.587 503 1H5* C 208 1H5* C 208 17.532 -1.706 -15.112 504 2H5* C 208 2H5* C 208 17.079 -0.266 -14.201 505 H4* C 208 H4* C 208 15.431 -1.529 -15.894 506 H3* C 208 H3* C 208 14.951 0.244 -13.578 507 1H2* C 208 1H2* C 208 12.912 -0.616 -13.041 508 2HO* C 208 2HO* C 208 11.483 -0.943 -14.883 509 H1* C 208 H1* C 208 13.091 -3.004 -14.753 510 1H4 C 208 1H4 C 208 11.786 -5.385 -8.983 511 2H4 C 208 2H4 C 208 13.375 -4.911 -8.426 512 H5 C 208 H5 C 208 14.913 -3.678 -9.728 513 H6 C 208 H6 C 208 15.308 -2.586 -11.907 514 1H5* G 209 1H5* G 209 11.761 4.066 -16.482 515 2H5* G 209 2H5* G 209 12.766 4.360 -15.063 516 H4* G 209 H4* G 209 10.582 2.369 -15.481 517 H3* G 209 H3* G 209 11.404 4.140 -13.150 518 1H2* G 209 1H2* G 209 9.885 2.911 -11.886 519 2HO* G 209 2HO* G 209 8.301 3.366 -13.593 520 H1* G 209 H1* G 209 10.265 0.530 -13.535 521 H8 G 209 H8 G 209 13.105 2.185 -11.640 522 H1 G 209 H1 G 209 10.276 -2.730 -8.521 523 1H2 G 209 1H2 G 209 8.615 -3.349 -9.576 524 2H2 G 209 2H2 G 209 8.070 -2.642 -11.080 525 1H5* G 210 1H5* G 210 10.520 6.460 -11.321 526 2H5* G 210 2H5* G 210 9.821 5.007 -12.035 527 H4* G 210 H4* G 210 8.211 5.432 -10.505 528 H3* G 210 H3* G 210 7.442 6.664 -13.035 529 1H2* G 210 1H2* G 210 6.813 8.632 -11.998 530 2HO* G 210 2HO* G 210 4.889 7.430 -12.422 531 H1* G 210 H1* G 210 6.291 7.829 -9.275 532 H8 G 210 H8 G 210 9.591 8.407 -11.160 533 H1 G 210 H1 G 210 8.116 12.825 -6.666 534 1H2 G 210 1H2 G 210 6.295 12.362 -5.818 535 2H2 G 210 2H2 G 210 5.311 10.984 -6.259 536 1H5* A 211 1H5* A 211 7.490 3.443 -11.307 537 2H5* A 211 2H5* A 211 7.374 1.761 -11.825 538 H4* A 211 H4* A 211 6.512 1.643 -9.704 539 H3* A 211 H3* A 211 4.421 1.661 -11.728 540 1H2* A 211 1H2* A 211 3.358 3.368 -10.458 541 2HO* A 211 2HO* A 211 2.034 1.546 -10.580 542 H1* A 211 H1* A 211 4.256 1.934 -7.917 543 H8 A 211 H8 A 211 4.627 5.482 -9.329 544 1H6 A 211 1H6 A 211 1.730 7.319 -4.116 545 2H6 A 211 2H6 A 211 2.494 7.881 -5.585 546 H2 A 211 H2 A 211 1.934 2.880 -4.102 547 1H5* G 212 1H5* G 212 3.475 -3.437 -9.533 548 2H5* G 212 2H5* G 212 3.855 -1.925 -8.709 549 H4* G 212 H4* G 212 5.762 -4.223 -9.205 550 H3* G 212 H3* G 212 3.954 -3.694 -6.994 551 1H2* G 212 1H2* G 212 5.457 -3.036 -5.412 552 2HO* G 212 2HO* G 212 7.061 -4.535 -5.070 553 H1* G 212 H1* G 212 7.706 -2.679 -7.300 554 H8 G 212 H8 G 212 4.573 -0.780 -6.129 555 H1 G 212 H1 G 212 10.192 2.350 -5.402 556 1H2 G 212 1H2 G 212 11.730 1.180 -6.121 557 2H2 G 212 2H2 G 212 11.528 -0.413 -6.818 558 1H5* G 213 1H5* G 213 2.575 -4.897 -8.546 559 2H5* G 213 2H5* G 213 1.298 -6.088 -8.791 560 H4* G 213 H4* G 213 2.096 -5.796 -10.927 561 H3* G 213 H3* G 213 3.616 -8.134 -9.758 562 1H2* G 213 1H2* G 213 4.703 -8.391 -11.780 563 2HO* G 213 2HO* G 213 3.503 -7.803 -13.688 564 H1* G 213 H1* G 213 4.787 -5.762 -12.653 565 H8 G 213 H8 G 213 5.297 -6.752 -8.982 566 H1 G 213 H1 G 213 10.701 -5.461 -12.301 567 1H2 G 213 1H2 G 213 10.223 -5.060 -14.266 568 2H2 G 213 2H2 G 213 8.600 -5.071 -14.918 569 1H5* C 214 1H5* C 214 1.357 -9.997 -12.964 570 2H5* C 214 2H5* C 214 1.477 -11.750 -12.799 571 H4* C 214 H4* C 214 2.794 -10.760 -14.682 572 H3* C 214 H3* C 214 4.278 -12.342 -12.561 573 1H2* C 214 1H2* C 214 6.107 -12.375 -14.039 574 2HO* C 214 2HO* C 214 5.615 -11.794 -16.299 575 H1* C 214 H1* C 214 5.952 -9.756 -14.853 576 1H4 C 214 1H4 C 214 9.517 -9.072 -9.635 577 2H4 C 214 2H4 C 214 8.209 -9.649 -8.625 578 H5 C 214 H5 C 214 6.125 -10.381 -9.461 579 H6 C 214 H6 C 214 4.768 -10.742 -11.491 580 1H5* U 215 1H5* U 215 4.671 -14.333 -15.974 581 2H5* U 215 2H5* U 215 5.080 -16.046 -15.894 582 H4* U 215 H4* U 215 6.845 -14.228 -16.622 583 H3* U 215 H3* U 215 7.297 -16.728 -15.018 584 1H2* U 215 1H2* U 215 9.262 -15.842 -14.281 585 2HO* U 215 2HO* U 215 9.655 -15.271 -17.074 586 H1* U 215 H1* U 215 9.393 -13.382 -15.840 587 H3 U 215 H3 U 215 10.932 -11.736 -11.947 588 H5 U 215 H5 U 215 7.087 -13.066 -10.954 589 H6 U 215 H6 U 215 6.925 -13.981 -13.223 590 1H5* A 216 1H5* A 216 10.068 -17.451 -18.036 591 2H5* A 216 2H5* A 216 10.329 -19.188 -18.194 592 H4* A 216 H4* A 216 12.238 -18.061 -17.163 593 H3* A 216 H3* A 216 10.757 -19.937 -15.287 594 1H2* A 216 1H2* A 216 12.618 -19.781 -13.903 595 2HO* A 216 2HO* A 216 14.085 -18.681 -16.102 596 H1* A 216 H1* A 216 13.289 -17.104 -14.778 597 H8 A 216 H8 A 216 9.871 -17.994 -13.370 598 1H6 A 216 1H6 A 216 12.011 -15.766 -7.947 599 2H6 A 216 2H6 A 216 10.594 -16.385 -8.765 600 H2 A 216 H2 A 216 15.366 -15.793 -10.859 601 1H5* G 217 1H5* G 217 14.134 -21.390 -16.509 602 2H5* G 217 2H5* G 217 14.712 -23.056 -16.538 603 H4* G 217 H4* G 217 15.894 -22.102 -14.787 604 H3* G 217 H3* G 217 13.455 -23.405 -13.531 605 1H2* G 217 1H2* G 217 14.562 -23.138 -11.473 606 2HO* G 217 2HO* G 217 16.606 -23.803 -11.894 607 H1* G 217 H1* G 217 15.658 -20.596 -12.242 608 H8 G 217 H8 G 217 11.956 -21.432 -12.595 609 H1 G 217 H1 G 217 13.537 -18.223 -7.201 610 1H2 G 217 1H2 G 217 15.587 -18.039 -7.085 611 2H2 G 217 2H2 G 217 16.711 -18.661 -8.273 612 1H5* U 218 1H5* U 218 16.858 -25.511 -12.900 613 2H5* U 218 2H5* U 218 16.980 -27.261 -12.717 614 H4* U 218 H4* U 218 17.784 -26.416 -10.702 615 H3* U 218 H3* U 218 14.915 -27.276 -10.395 616 1H2* U 218 1H2* U 218 14.953 -26.681 -8.139 617 2HO* U 218 2HO* U 218 17.442 -26.139 -7.539 618 H1* U 218 H1* U 218 16.726 -24.435 -8.614 619 H3 U 218 H3 U 218 13.329 -22.323 -6.524 620 H5 U 218 H5 U 218 11.598 -23.639 -10.103 621 H6 U 218 H6 U 218 13.692 -24.829 -10.563 622 1H5* C 219 1H5* C 219 17.031 -28.926 -7.095 623 2H5* C 219 2H5* C 219 16.660 -30.649 -7.046 624 H4* C 219 H4* C 219 16.199 -29.935 -4.890 625 H3* C 219 H3* C 219 13.709 -30.185 -6.511 626 1H2* C 219 1H2* C 219 12.356 -29.299 -4.804 627 2HO* C 219 2HO* C 219 13.044 -29.750 -2.783 628 H1* C 219 H1* C 219 14.292 -27.282 -4.137 629 1H4 C 219 1H4 C 219 9.759 -23.983 -7.156 630 2H4 C 219 2H4 C 219 10.141 -24.798 -8.656 631 H5 C 219 H5 C 219 11.736 -26.530 -8.842 632 H6 C 219 H6 C 219 13.373 -27.920 -7.624 633 1H5* C 220 1H5* C 220 12.991 -32.783 -3.180 634 2H5* C 220 2H5* C 220 12.655 -34.443 -3.671 635 H4* C 220 H4* C 220 10.800 -33.969 -2.416 636 H3* C 220 H3* C 220 10.180 -33.416 -5.287 637 1H2* C 220 1H2* C 220 8.027 -32.607 -4.758 638 2HO* C 220 2HO* C 220 8.638 -33.351 -2.048 639 H1* C 220 H1* C 220 8.940 -31.042 -2.588 640 1H4 C 220 1H4 C 220 8.551 -26.734 -7.253 641 2H4 C 220 2H4 C 220 9.816 -27.550 -8.147 642 H5 C 220 H5 C 220 10.832 -29.563 -7.448 643 H6 C 220 H6 C 220 10.887 -31.309 -5.702 No H/Q in entry = 643 Start of MODEL 18 1 H MET 1 HN MET 1 3.363 -9.360 5.141 2 HA MET 1 HA MET 1 3.441 -11.466 5.670 3 1HB MET 1 2HB MET 1 1.269 -12.623 6.334 4 2HB MET 1 3HB MET 1 1.484 -11.064 7.104 5 1HG MET 1 2HG MET 1 -0.469 -10.337 6.206 6 2HG MET 1 3HG MET 1 0.169 -10.580 4.592 7 1HE MET 1 2HE MET 1 -1.595 -11.110 3.418 8 2HE MET 1 3HE MET 1 -2.516 -12.632 3.405 9 3HE MET 1 1HE MET 1 -3.013 -11.301 4.477 10 H GLN 2 HN GLN 2 1.297 -10.541 3.007 11 HA GLN 2 HA GLN 2 2.069 -13.027 1.698 12 1HB GLN 2 2HB GLN 2 -0.494 -12.564 2.475 13 2HB GLN 2 3HB GLN 2 -0.533 -11.766 0.915 14 1HG GLN 2 2HG GLN 2 -0.592 -13.754 -0.176 15 2HG GLN 2 3HG GLN 2 0.856 -14.305 0.644 16 1HE2 GLN 2 2HE2 GLN 2 -1.117 -16.834 2.018 17 2HE2 GLN 2 1HE2 GLN 2 0.129 -16.375 0.905 18 H LYS 3 HN LYS 3 3.886 -11.707 0.866 19 HA LYS 3 HA LYS 3 3.445 -10.782 -1.689 20 1HB LYS 3 2HB LYS 3 2.488 -8.881 0.078 21 2HB LYS 3 3HB LYS 3 4.107 -8.301 -0.263 22 1HG LYS 3 2HG LYS 3 2.758 -7.340 -1.978 23 2HG LYS 3 3HG LYS 3 3.573 -8.677 -2.764 24 1HD LYS 3 2HD LYS 3 1.542 -10.118 -2.339 25 2HD LYS 3 3HD LYS 3 0.730 -8.728 -1.647 26 1HE LYS 3 2HE LYS 3 1.826 -7.963 -4.221 27 2HE LYS 3 3HE LYS 3 0.931 -9.457 -4.420 28 1HZ LYS 3 1HZ LYS 3 -0.259 -7.089 -4.399 29 2HZ LYS 3 2HZ LYS 3 -1.025 -8.428 -3.878 30 H GLY 4 HN GLY 4 5.221 -12.463 -1.356 31 1HA GLY 4 1HA GLY 4 7.630 -11.847 -0.079 32 2HA GLY 4 2HA GLY 4 7.403 -12.998 -1.380 33 H ASN 5 HN ASN 5 6.174 -10.497 -2.943 34 HA ASN 5 HA ASN 5 8.378 -10.059 -4.504 35 1HB ASN 5 2HB ASN 5 5.850 -9.557 -4.948 36 2HB ASN 5 3HB ASN 5 6.126 -8.027 -4.139 37 1HD2 ASN 5 2HD2 ASN 5 7.581 -6.427 -6.835 38 2HD2 ASN 5 1HD2 ASN 5 6.911 -6.378 -5.239 39 H PHE 6 HN PHE 6 7.457 -8.753 -1.397 40 HA PHE 6 HA PHE 6 8.538 -6.206 -1.501 41 1HB PHE 6 2HB PHE 6 7.599 -8.229 0.410 42 2HB PHE 6 3HB PHE 6 9.029 -7.454 1.064 43 HD1 PHE 6 HD1 PHE 6 6.430 -5.888 -1.076 44 HD2 PHE 6 HD2 PHE 6 8.119 -6.178 2.806 45 HE1 PHE 6 HE1 PHE 6 5.032 -3.945 -0.322 46 HE2 PHE 6 HE2 PHE 6 6.721 -4.234 3.560 47 HZ PHE 6 HZ PHE 6 5.193 -3.141 1.987 48 H ARG 7 HN ARG 7 10.113 -9.263 -1.776 49 HA ARG 7 HA ARG 7 12.444 -8.777 -0.410 50 1HB ARG 7 2HB ARG 7 13.438 -10.485 -1.997 51 2HB ARG 7 3HB ARG 7 11.925 -11.000 -1.279 52 1HG ARG 7 2HG ARG 7 10.881 -9.839 -3.466 53 2HG ARG 7 3HG ARG 7 12.482 -10.130 -4.115 54 1HD ARG 7 2HD ARG 7 12.191 -12.417 -4.182 55 2HD ARG 7 3HD ARG 7 11.318 -12.457 -2.663 56 HE ARG 7 HE ARG 7 9.346 -12.450 -3.897 57 1HH1 ARG 7 2HH2 ARG 7 11.839 -10.825 -5.820 58 2HH1 ARG 7 1HH2 ARG 7 10.796 -10.560 -7.177 59 HH2 ARG 7 HH1 ARG 7 8.525 -11.320 -7.077 60 H ASN 8 HN ASN 8 11.127 -7.095 -3.062 61 HA ASN 8 HA ASN 8 13.254 -6.654 -4.707 62 1HB ASN 8 2HB ASN 8 12.093 -4.511 -5.297 63 2HB ASN 8 3HB ASN 8 10.962 -5.844 -5.190 64 1HD2 ASN 8 2HD2 ASN 8 10.022 -2.618 -3.265 65 2HD2 ASN 8 1HD2 ASN 8 10.845 -2.839 -4.772 66 H GLN 9 HN GLN 9 12.450 -5.370 -1.476 67 HA GLN 9 HA GLN 9 14.002 -3.117 -1.453 68 1HB GLN 9 2HB GLN 9 13.355 -5.068 0.799 69 2HB GLN 9 3HB GLN 9 14.070 -3.490 1.058 70 1HG GLN 9 2HG GLN 9 12.093 -2.438 -0.110 71 2HG GLN 9 3HG GLN 9 11.370 -4.027 -0.269 72 1HE2 GLN 9 2HE2 GLN 9 10.144 -4.264 2.971 73 2HE2 GLN 9 1HE2 GLN 9 10.367 -4.975 1.408 74 H ARG 10 HN ARG 10 14.958 -6.436 -1.698 75 HA ARG 10 HA ARG 10 17.325 -6.414 -0.319 76 1HB ARG 10 2HB ARG 10 17.915 -8.368 -1.649 77 2HB ARG 10 3HB ARG 10 16.184 -8.421 -1.379 78 1HG ARG 10 2HG ARG 10 15.977 -7.167 -3.663 79 2HG ARG 10 3HG ARG 10 17.654 -7.609 -3.915 80 1HD ARG 10 2HD ARG 10 17.143 -9.807 -4.322 81 2HD ARG 10 3HD ARG 10 16.000 -9.887 -2.997 82 HE ARG 10 HE ARG 10 14.286 -9.512 -4.529 83 1HH1 ARG 10 2HH2 ARG 10 17.290 -8.228 -5.901 84 2HH1 ARG 10 1HH2 ARG 10 16.561 -7.799 -7.414 85 HH2 ARG 10 HH1 ARG 10 14.228 -8.230 -7.757 86 H LYS 11 HN LYS 11 16.380 -4.634 -3.121 87 HA LYS 11 HA LYS 11 19.195 -4.185 -3.830 88 1HB LYS 11 2HB LYS 11 18.661 -4.288 -5.999 89 2HB LYS 11 3HB LYS 11 17.186 -5.073 -5.474 90 1HG LYS 11 2HG LYS 11 16.322 -2.561 -5.168 91 2HG LYS 11 3HG LYS 11 17.614 -2.193 -6.294 92 1HD LYS 11 2HD LYS 11 16.655 -3.490 -8.034 93 2HD LYS 11 3HD LYS 11 15.691 -4.448 -6.927 94 1HE LYS 11 2HE LYS 11 14.193 -2.903 -8.056 95 2HE LYS 11 3HE LYS 11 14.329 -2.382 -6.389 96 1HZ LYS 11 1HZ LYS 11 16.113 -1.239 -8.448 97 2HZ LYS 11 2HZ LYS 11 14.623 -0.624 -8.218 98 H THR 12 HN THR 12 17.492 -3.017 -1.594 99 HA THR 12 HA THR 12 17.015 -1.032 -0.699 100 HB THR 12 HB THR 12 19.602 -1.028 -1.297 101 HG1 THR 12 HG1 THR 12 18.095 1.460 -0.933 102 1HG2 THR 12 2HG2 THR 12 18.541 0.279 -3.612 103 2HG2 THR 12 3HG2 THR 12 19.244 1.559 -2.594 104 3HG2 THR 12 1HG2 THR 12 20.249 0.186 -3.120 105 H VAL 13 HN VAL 13 15.179 -1.711 -2.625 106 HA VAL 13 HA VAL 13 14.713 -0.173 -4.750 107 HB VAL 13 HB VAL 13 12.304 -0.346 -4.181 108 1HG1 VAL 13 2HG1 VAL 13 14.236 -2.520 -4.393 109 2HG1 VAL 13 3HG1 VAL 13 12.753 -3.028 -3.550 110 3HG1 VAL 13 1HG1 VAL 13 12.652 -2.319 -5.179 111 1HG2 VAL 13 1HG2 VAL 13 13.425 -1.214 -1.514 112 2HG2 VAL 13 2HG2 VAL 13 12.152 -0.021 -1.864 113 3HG2 VAL 13 3HG2 VAL 13 11.825 -1.758 -2.069 114 H LYS 14 HN LYS 14 13.488 1.840 -5.148 115 HA LYS 14 HA LYS 14 14.129 3.803 -3.068 116 1HB LYS 14 2HB LYS 14 15.273 4.505 -4.936 117 2HB LYS 14 3HB LYS 14 14.090 3.863 -6.056 118 1HG LYS 14 2HG LYS 14 12.465 5.655 -5.282 119 2HG LYS 14 3HG LYS 14 13.743 6.332 -4.292 120 1HD LYS 14 2HD LYS 14 13.929 7.613 -6.254 121 2HD LYS 14 3HD LYS 14 15.143 6.377 -6.520 122 1HE LYS 14 2HE LYS 14 12.458 5.543 -7.443 123 2HE LYS 14 3HE LYS 14 13.024 6.994 -8.247 124 1HZ LYS 14 1HZ LYS 14 15.037 5.831 -8.888 125 2HZ LYS 14 2HZ LYS 14 14.629 4.504 -8.037 126 H CYS 15 HN CYS 15 12.543 5.093 -2.166 127 HA CYS 15 HA CYS 15 9.894 4.122 -2.408 128 1HB CYS 15 2HB CYS 15 10.813 4.963 -0.278 129 2HB CYS 15 3HB CYS 15 10.954 6.572 -0.959 130 H PHE 16 HN PHE 16 8.607 4.610 -4.152 131 HA PHE 16 HA PHE 16 9.221 6.855 -5.804 132 1HB PHE 16 2HB PHE 16 7.120 4.641 -5.619 133 2HB PHE 16 3HB PHE 16 6.891 5.937 -6.775 134 HD1 PHE 16 HD1 PHE 16 9.500 6.420 -7.886 135 HD2 PHE 16 HD2 PHE 16 7.736 2.731 -6.750 136 HE1 PHE 16 HE1 PHE 16 10.965 5.214 -9.529 137 HE2 PHE 16 HE2 PHE 16 9.200 1.525 -8.393 138 HZ PHE 16 HZ PHE 16 10.798 2.780 -9.763 139 H ASN 17 HN ASN 17 7.908 6.819 -2.808 140 HA ASN 17 HA ASN 17 5.680 8.543 -3.451 141 1HB ASN 17 2HB ASN 17 5.763 6.630 -1.607 142 2HB ASN 17 3HB ASN 17 6.596 7.830 -0.638 143 1HD2 ASN 17 2HD2 ASN 17 3.571 9.032 0.532 144 2HD2 ASN 17 1HD2 ASN 17 5.154 8.398 0.833 145 H CYS 18 HN CYS 18 8.609 8.446 -1.271 146 HA CYS 18 HA CYS 18 8.535 11.346 -1.130 147 1HB CYS 18 2HB CYS 18 10.219 11.094 0.651 148 2HB CYS 18 3HB CYS 18 8.758 10.190 0.992 149 H GLY 19 HN GLY 19 10.615 8.549 -2.101 150 1HA GLY 19 1HA GLY 19 11.853 8.715 -4.144 151 2HA GLY 19 2HA GLY 19 12.157 10.407 -3.803 152 H LYS 20 HN LYS 20 12.279 7.890 -1.267 153 HA LYS 20 HA LYS 20 15.133 8.469 -0.996 154 1HB LYS 20 2HB LYS 20 12.944 7.709 0.896 155 2HB LYS 20 3HB LYS 20 14.572 7.183 1.272 156 1HG LYS 20 2HG LYS 20 15.412 9.456 1.263 157 2HG LYS 20 3HG LYS 20 13.943 10.073 0.532 158 1HD LYS 20 2HD LYS 20 12.861 8.925 2.754 159 2HD LYS 20 3HD LYS 20 14.461 9.271 3.379 160 1HE LYS 20 2HE LYS 20 14.219 11.604 3.113 161 2HE LYS 20 3HE LYS 20 13.003 11.443 1.862 162 1HZ LYS 20 1HZ LYS 20 12.381 11.996 4.379 163 2HZ LYS 20 2HZ LYS 20 11.358 11.178 3.411 164 H GLU 21 HN GLU 21 16.027 6.231 0.355 165 HA GLU 21 HA GLU 21 15.346 4.035 -1.422 166 1HB GLU 21 2HB GLU 21 17.913 5.463 -1.268 167 2HB GLU 21 3HB GLU 21 18.104 3.748 -0.968 168 1HG GLU 21 2HG GLU 21 17.289 3.138 -3.095 169 2HG GLU 21 3HG GLU 21 16.371 4.619 -3.287 170 HE2 GLU 21 HE2 GLU 21 18.747 5.808 -5.286 171 H GLY 22 HN GLY 22 15.128 2.075 -0.365 172 1HA GLY 22 1HA GLY 22 16.037 0.597 1.348 173 2HA GLY 22 2HA GLY 22 16.092 1.973 2.432 174 H HIS 23 HN HIS 23 13.364 1.966 0.260 175 HA HIS 23 HA HIS 23 11.644 0.281 1.636 176 1HB HIS 23 2HB HIS 23 10.461 1.615 3.123 177 2HB HIS 23 3HB HIS 23 12.132 2.045 3.431 178 HD1 HIS 23 HD1 HIS 23 12.928 4.438 2.697 179 HD2 HIS 23 HD2 HIS 23 8.858 3.667 2.033 180 HE1 HIS 23 HE1 HIS 23 11.843 6.695 2.210 181 H ILE 24 HN ILE 24 9.357 0.562 0.868 182 HA ILE 24 HA ILE 24 9.382 1.997 -1.695 183 HB ILE 24 HB ILE 24 7.953 0.359 -2.576 184 1HG1 ILE 24 2HG1 ILE 24 7.700 -0.942 0.147 185 2HG1 ILE 24 3HG1 ILE 24 6.523 0.182 -0.500 186 1HG2 ILE 24 3HG2 ILE 24 10.375 -0.539 -1.147 187 2HG2 ILE 24 1HG2 ILE 24 9.269 -1.835 -1.663 188 3HG2 ILE 24 2HG2 ILE 24 9.921 -0.691 -2.862 189 1HD1 ILE 24 1HD1 ILE 24 7.385 -2.204 -2.156 190 2HD1 ILE 24 2HD1 ILE 24 6.161 -2.390 -0.877 191 3HD1 ILE 24 3HD1 ILE 24 5.867 -1.278 -2.235 192 H ALA 25 HN ALA 25 7.190 2.838 -2.392 193 HA ALA 25 HA ALA 25 6.238 4.665 -0.601 194 1HB ALA 25 2HB ALA 25 5.173 3.379 -3.106 195 2HB ALA 25 3HB ALA 25 4.123 4.477 -2.180 196 3HB ALA 25 1HB ALA 25 5.676 5.061 -2.821 197 H LYS 26 HN LYS 26 5.185 1.274 -1.167 198 HA LYS 26 HA LYS 26 2.879 1.378 0.393 199 1HB LYS 26 2HB LYS 26 4.692 -1.005 -0.088 200 2HB LYS 26 3HB LYS 26 3.003 -1.046 0.376 201 1HG LYS 26 2HG LYS 26 3.625 0.554 -2.076 202 2HG LYS 26 3HG LYS 26 3.874 -1.174 -2.221 203 1HD LYS 26 2HD LYS 26 1.333 -0.461 -0.862 204 2HD LYS 26 3HD LYS 26 1.431 0.133 -2.509 205 1HE LYS 26 2HE LYS 26 2.219 -2.278 -3.139 206 2HE LYS 26 3HE LYS 26 1.653 -2.747 -1.548 207 1HZ LYS 26 1HZ LYS 26 -0.028 -2.916 -3.412 208 2HZ LYS 26 2HZ LYS 26 -0.550 -2.093 -2.108 209 H ASN 27 HN ASN 27 6.329 0.745 1.216 210 HA ASN 27 HA ASN 27 5.588 0.364 3.961 211 1HB ASN 27 2HB ASN 27 8.298 0.432 2.534 212 2HB ASN 27 3HB ASN 27 8.122 0.120 4.249 213 1HD2 ASN 27 2HD2 ASN 27 8.159 -2.975 1.924 214 2HD2 ASN 27 1HD2 ASN 27 9.009 -1.469 1.821 215 H CYS 28 HN CYS 28 5.599 3.008 2.098 216 HA CYS 28 HA CYS 28 7.399 4.686 3.580 217 1HB CYS 28 2HB CYS 28 6.991 4.983 1.132 218 2HB CYS 28 3HB CYS 28 5.340 5.453 1.484 219 H ARG 29 HN ARG 29 6.803 6.072 5.271 220 HA ARG 29 HA ARG 29 4.318 5.517 6.482 221 1HB ARG 29 2HB ARG 29 6.819 6.946 7.153 222 2HB ARG 29 3HB ARG 29 5.406 7.763 7.788 223 1HG ARG 29 2HG ARG 29 4.646 5.638 8.858 224 2HG ARG 29 3HG ARG 29 6.044 4.805 8.208 225 1HD ARG 29 2HD ARG 29 6.463 7.295 9.884 226 2HD ARG 29 3HD ARG 29 6.096 5.780 10.685 227 HE ARG 29 HE ARG 29 8.104 4.989 9.033 228 1HH1 ARG 29 2HH2 ARG 29 7.857 7.827 11.140 229 2HH1 ARG 29 1HH2 ARG 29 9.565 7.931 11.407 230 HH2 ARG 29 HH1 ARG 29 11.016 6.332 10.368 231 H ALA 30 HN ALA 30 5.611 7.962 4.292 232 HA ALA 30 HA ALA 30 3.770 10.018 4.887 233 1HB ALA 30 3HB ALA 30 5.593 9.344 2.563 234 2HB ALA 30 1HB ALA 30 4.505 10.751 2.512 235 3HB ALA 30 2HB ALA 30 5.758 10.640 3.771 236 HA PRO 31 HA PRO 31 0.273 8.667 2.733 237 1HB PRO 31 2HB PRO 31 -0.857 11.002 1.874 238 2HB PRO 31 3HB PRO 31 -1.003 10.415 3.519 239 1HG PRO 31 2HG PRO 31 0.681 12.609 2.476 240 2HG PRO 31 3HG PRO 31 0.199 12.286 4.130 241 1HD PRO 31 2HD PRO 31 2.763 11.760 2.956 242 2HD PRO 31 3HD PRO 31 2.242 11.332 4.575 243 H ARG 32 HN ARG 32 -0.672 8.038 0.769 244 HA ARG 32 HA ARG 32 1.168 7.865 -1.251 245 1HB ARG 32 2HB ARG 32 -1.881 7.735 -1.492 246 2HB ARG 32 3HB ARG 32 -0.743 7.062 -2.643 247 1HG ARG 32 2HG ARG 32 -0.973 6.223 0.287 248 2HG ARG 32 3HG ARG 32 -1.640 5.333 -1.068 249 1HD ARG 32 2HD ARG 32 1.199 5.934 -1.516 250 2HD ARG 32 3HD ARG 32 0.975 5.088 0.001 251 HE ARG 32 HE ARG 32 0.823 3.887 -2.553 252 1HH1 ARG 32 2HH2 ARG 32 -1.136 3.985 0.397 253 2HH1 ARG 32 1HH2 ARG 32 -1.828 2.418 0.138 254 HH2 ARG 32 HH1 ARG 32 -1.197 1.163 -1.803 255 H LYS 33 HN LYS 33 2.029 9.622 -2.336 256 HA LYS 33 HA LYS 33 0.108 11.513 -3.471 257 1HB LYS 33 2HB LYS 33 1.618 12.181 -1.292 258 2HB LYS 33 3HB LYS 33 2.678 12.681 -2.594 259 1HG LYS 33 2HG LYS 33 1.419 14.593 -2.585 260 2HG LYS 33 3HG LYS 33 0.288 13.649 -3.534 261 1HD LYS 33 2HD LYS 33 0.028 13.260 -0.594 262 2HD LYS 33 3HD LYS 33 -0.314 14.893 -1.133 263 1HE LYS 33 2HE LYS 33 -1.534 12.738 -2.804 264 2HE LYS 33 3HE LYS 33 -2.148 12.836 -1.166 265 1HZ LYS 33 1HZ LYS 33 -2.497 14.708 -3.333 266 2HZ LYS 33 2HZ LYS 33 -3.428 14.482 -2.016 267 H LYS 34 HN LYS 34 1.717 13.064 -5.004 268 HA LYS 34 HA LYS 34 3.522 11.272 -6.422 269 1HB LYS 34 2HB LYS 34 0.897 12.234 -7.429 270 2HB LYS 34 3HB LYS 34 2.242 12.372 -8.543 271 1HG LYS 34 2HG LYS 34 2.065 10.159 -8.992 272 2HG LYS 34 3HG LYS 34 2.518 9.806 -7.336 273 1HD LYS 34 2HD LYS 34 0.275 9.607 -6.615 274 2HD LYS 34 3HD LYS 34 -0.345 10.581 -7.934 275 1HE LYS 34 2HE LYS 34 0.337 8.723 -9.539 276 2HE LYS 34 3HE LYS 34 0.770 7.746 -8.151 277 1HZ LYS 34 1HZ LYS 34 -1.539 7.367 -8.955 278 2HZ LYS 34 2HZ LYS 34 -1.509 7.828 -7.393 279 H GLY 35 HN GLY 35 4.425 13.188 -4.742 280 1HA GLY 35 1HA GLY 35 4.757 15.681 -6.218 281 2HA GLY 35 2HA GLY 35 5.281 15.325 -4.584 282 H CYS 36 HN CYS 36 6.394 15.939 -7.663 283 HA CYS 36 HA CYS 36 8.330 14.041 -8.127 284 1HB CYS 36 2HB CYS 36 7.833 15.597 -9.849 285 2HB CYS 36 3HB CYS 36 8.169 16.979 -8.825 286 H TRP 37 HN TRP 37 10.105 13.454 -6.925 287 HA TRP 37 HA TRP 37 10.859 15.113 -4.689 288 1HB TRP 37 2HB TRP 37 12.560 12.825 -5.155 289 2HB TRP 37 3HB TRP 37 11.548 13.218 -3.779 290 HD1 TRP 37 HD1 TRP 37 8.828 12.431 -4.090 291 HE1 TRP 37 HE1 TRP 37 7.761 10.296 -5.216 292 HE3 TRP 37 HE3 TRP 37 12.882 11.255 -6.924 293 HZ2 TRP 37 HZ2 TRP 37 8.712 8.397 -7.123 294 HZ3 TRP 37 HZ3 TRP 37 12.730 9.244 -8.391 295 HH2 TRP 37 HH2 TRP 37 10.735 7.836 -8.518 296 H LYS 38 HN LYS 38 11.204 16.384 -7.240 297 HA LYS 38 HA LYS 38 14.124 16.585 -7.246 298 1HB LYS 38 2HB LYS 38 12.722 15.335 -9.279 299 2HB LYS 38 3HB LYS 38 12.897 16.970 -9.884 300 1HG LYS 38 2HG LYS 38 15.396 16.791 -9.197 301 2HG LYS 38 3HG LYS 38 15.110 15.075 -8.993 302 1HD LYS 38 2HD LYS 38 15.412 14.787 -11.220 303 2HD LYS 38 3HD LYS 38 13.968 15.734 -11.517 304 1HE LYS 38 2HE LYS 38 15.164 17.698 -11.944 305 2HE LYS 38 3HE LYS 38 16.497 17.249 -10.900 306 1HZ LYS 38 1HZ LYS 38 15.989 16.383 -13.664 307 2HZ LYS 38 2HZ LYS 38 17.382 16.904 -13.002 308 H CYS 39 HN CYS 39 10.959 18.017 -8.276 309 HA CYS 39 HA CYS 39 12.194 20.638 -7.850 310 1HB CYS 39 2HB CYS 39 10.281 21.501 -9.247 311 2HB CYS 39 3HB CYS 39 11.439 20.500 -10.101 312 H GLY 40 HN GLY 40 9.587 18.351 -7.026 313 1HA GLY 40 1HA GLY 40 8.566 18.323 -4.929 314 2HA GLY 40 2HA GLY 40 8.893 20.033 -4.726 315 H LYS 41 HN LYS 41 7.703 18.971 -7.869 316 HA LYS 41 HA LYS 41 5.216 20.381 -7.314 317 1HB LYS 41 2HB LYS 41 6.987 20.405 -9.462 318 2HB LYS 41 3HB LYS 41 5.644 19.448 -10.051 319 1HG LYS 41 2HG LYS 41 4.849 21.888 -8.536 320 2HG LYS 41 3HG LYS 41 5.709 22.209 -10.028 321 1HD LYS 41 2HD LYS 41 3.983 20.298 -10.928 322 2HD LYS 41 3HD LYS 41 3.018 20.946 -9.616 323 1HE LYS 41 2HE LYS 41 2.365 22.471 -11.210 324 2HE LYS 41 3HE LYS 41 3.838 23.292 -10.731 325 1HZ LYS 41 1HZ LYS 41 4.405 21.296 -12.680 326 2HZ LYS 41 2HZ LYS 41 3.266 22.313 -13.248 327 H GLU 42 HN GLU 42 3.306 19.354 -7.004 328 HA GLU 42 HA GLU 42 3.377 16.488 -7.129 329 1HB GLU 42 2HB GLU 42 1.206 16.612 -5.962 330 2HB GLU 42 3HB GLU 42 2.403 17.606 -5.154 331 1HG GLU 42 2HG GLU 42 1.243 19.337 -7.063 332 2HG GLU 42 3HG GLU 42 -0.111 18.408 -6.452 333 HE2 GLU 42 HE2 GLU 42 2.279 20.859 -4.890 334 H GLY 43 HN GLY 43 2.882 15.446 -9.007 335 1HA GLY 43 1HA GLY 43 0.610 15.329 -10.342 336 2HA GLY 43 2HA GLY 43 1.250 16.822 -11.001 337 H HIS 44 HN HIS 44 3.939 16.456 -11.300 338 HA HIS 44 HA HIS 44 3.992 14.281 -13.232 339 1HB HIS 44 2HB HIS 44 5.739 15.447 -14.322 340 2HB HIS 44 3HB HIS 44 4.515 16.635 -13.920 341 HD1 HIS 44 HD1 HIS 44 5.144 18.509 -12.258 342 HD2 HIS 44 HD2 HIS 44 8.174 15.664 -12.825 343 HE1 HIS 44 HE1 HIS 44 7.245 19.478 -11.182 344 H GLN 45 HN GLN 45 6.417 13.359 -13.470 345 HA GLN 45 HA GLN 45 7.275 12.743 -10.749 346 1HB GLN 45 2HB GLN 45 7.662 10.457 -11.364 347 2HB GLN 45 3HB GLN 45 6.061 10.856 -11.954 348 1HG GLN 45 2HG GLN 45 6.911 11.189 -14.231 349 2HG GLN 45 3HG GLN 45 8.569 11.024 -13.686 350 1HE2 GLN 45 2HE2 GLN 45 6.107 7.764 -14.236 351 2HE2 GLN 45 1HE2 GLN 45 5.511 9.390 -14.191 352 H MET 46 HN MET 46 9.629 12.030 -10.618 353 HA MET 46 HA MET 46 11.249 13.934 -11.688 354 1HB MET 46 2HB MET 46 11.663 12.263 -9.750 355 2HB MET 46 3HB MET 46 12.098 11.078 -10.966 356 1HG MET 46 2HG MET 46 13.513 13.606 -11.433 357 2HG MET 46 3HG MET 46 13.801 13.028 -9.804 358 1HE MET 46 2HE MET 46 15.064 11.579 -9.099 359 2HE MET 46 3HE MET 46 14.934 9.904 -9.689 360 3HE MET 46 1HE MET 46 16.411 10.847 -10.004 361 H LYS 47 HN LYS 47 10.356 10.716 -12.992 362 HA LYS 47 HA LYS 47 12.296 10.499 -14.949 363 1HB LYS 47 2HB LYS 47 10.635 8.759 -14.173 364 2HB LYS 47 3HB LYS 47 9.424 9.556 -15.158 365 1HG LYS 47 2HG LYS 47 11.957 9.055 -16.614 366 2HG LYS 47 3HG LYS 47 11.194 7.586 -16.041 367 1HD LYS 47 2HD LYS 47 9.654 9.735 -17.561 368 2HD LYS 47 3HD LYS 47 10.476 8.420 -18.375 369 1HE LYS 47 2HE LYS 47 8.938 7.260 -16.236 370 2HE LYS 47 3HE LYS 47 7.892 8.393 -17.068 371 1HZ LYS 47 1HZ LYS 47 8.912 7.217 -19.175 372 2HZ LYS 47 2HZ LYS 47 9.177 5.986 -18.141 373 H ASP 48 HN ASP 48 9.276 12.413 -14.824 374 HA ASP 48 HA ASP 48 10.028 13.461 -17.440 375 1HB ASP 48 2HB ASP 48 7.614 12.299 -16.681 376 2HB ASP 48 3HB ASP 48 7.276 14.004 -16.454 377 HD1 ASP 48 HD2 ASP 48 9.125 13.536 -19.639 378 H CYS 49 HN CYS 49 11.168 14.343 -14.903 379 HA CYS 49 HA CYS 49 9.845 16.393 -13.658 380 1HB CYS 49 2HB CYS 49 11.989 15.346 -12.910 381 2HB CYS 49 3HB CYS 49 12.835 16.230 -14.164 382 H THR 50 HN THR 50 8.916 18.166 -14.624 383 HA THR 50 HA THR 50 9.904 19.101 -17.164 384 HB THR 50 HB THR 50 7.454 18.902 -16.522 385 HG1 THR 50 HG1 THR 50 7.854 20.403 -18.164 386 1HG2 THR 50 1HG2 THR 50 8.293 21.166 -14.648 387 2HG2 THR 50 2HG2 THR 50 6.620 20.988 -15.230 388 3HG2 THR 50 3HG2 THR 50 7.359 19.706 -14.240 389 H GLU 51 HN GLU 51 11.163 19.409 -14.160 390 HA GLU 51 HA GLU 51 11.681 22.245 -14.434 391 1HB GLU 51 2HB GLU 51 11.003 21.006 -12.215 392 2HB GLU 51 3HB GLU 51 12.681 20.501 -12.166 393 1HG GLU 51 2HG GLU 51 12.879 22.494 -11.000 394 2HG GLU 51 3HG GLU 51 13.131 23.109 -12.621 395 HE2 GLU 51 HE2 GLU 51 11.832 24.052 -10.129 396 H ARG 52 HN ARG 52 13.314 19.034 -14.324 397 HA ARG 52 HA ARG 52 15.227 18.361 -15.072 398 1HB ARG 52 2HB ARG 52 14.824 20.842 -16.664 399 2HB ARG 52 3HB ARG 52 16.505 20.363 -16.533 400 1HG ARG 52 2HG ARG 52 14.492 18.215 -17.181 401 2HG ARG 52 3HG ARG 52 14.879 19.368 -18.443 402 1HD ARG 52 2HD ARG 52 17.145 18.065 -16.913 403 2HD ARG 52 3HD ARG 52 16.323 17.144 -18.157 404 HE ARG 52 HE ARG 52 16.831 19.468 -19.489 405 1HH1 ARG 52 2HH2 ARG 52 18.930 17.447 -17.474 406 2HH1 ARG 52 1HH2 ARG 52 20.375 17.885 -18.323 407 HH2 ARG 52 HH1 ARG 52 20.237 19.414 -20.163 408 H GLN 53 HN GLN 53 17.764 18.975 -15.078 409 HA GLN 53 HA GLN 53 18.559 19.434 -12.600 410 1HB GLN 53 2HB GLN 53 19.961 20.272 -15.173 411 2HB GLN 53 3HB GLN 53 20.759 20.249 -13.613 412 1HG GLN 53 2HG GLN 53 19.291 17.777 -14.574 413 2HG GLN 53 3HG GLN 53 20.890 18.127 -15.197 414 1HE2 GLN 53 2HE2 GLN 53 22.252 16.360 -12.541 415 2HE2 GLN 53 1HE2 GLN 53 22.026 16.552 -14.247 416 H ALA 54 HN ALA 54 18.556 22.058 -15.130 417 HA ALA 54 HA ALA 54 18.476 24.265 -14.951 418 1HB ALA 54 3HB ALA 54 16.269 23.188 -13.600 419 2HB ALA 54 1HB ALA 54 16.893 24.442 -12.502 420 3HB ALA 54 2HB ALA 54 16.448 24.863 -14.173 421 H ASN 55 HN ASN 55 18.706 26.216 -13.196 422 HA ASN 55 HA ASN 55 21.232 26.219 -12.373 423 1HB ASN 55 2HB ASN 55 19.964 28.270 -12.276 424 2HB ASN 55 3HB ASN 55 18.773 27.581 -11.191 425 1HD2 ASN 55 2HD2 ASN 55 20.371 29.246 -8.588 426 2HD2 ASN 55 1HD2 ASN 55 18.974 29.060 -9.593 427 1H5* G 201 1H5* G 201 -0.831 -20.716 -6.326 428 2H5* G 201 2H5* G 201 0.359 -19.428 -6.130 429 H4* G 201 H4* G 201 0.238 -21.399 -4.422 430 H3* G 201 H3* G 201 2.841 -20.313 -5.545 431 1H2* G 201 1H2* G 201 3.913 -21.497 -3.806 432 2HO* G 201 2HO* G 201 2.488 -22.291 -2.071 433 H1* G 201 H1* G 201 2.360 -23.802 -4.077 434 H8 G 201 H8 G 201 3.645 -21.658 -6.992 435 H1 G 201 H1 G 201 6.850 -27.185 -5.958 436 1H2 G 201 1H2 G 201 6.065 -28.137 -4.306 437 2H2 G 201 2H2 G 201 4.736 -27.529 -3.345 438 1H5* G 202 1H5* G 202 2.008 -18.840 -1.819 439 2H5* G 202 2H5* G 202 2.575 -17.346 -1.074 440 H4* G 202 H4* G 202 3.670 -19.092 0.057 441 H3* G 202 H3* G 202 5.473 -17.703 -1.908 442 1H2* G 202 1H2* G 202 7.272 -19.067 -1.267 443 2HO* G 202 2HO* G 202 6.601 -18.755 0.980 444 H1* G 202 H1* G 202 5.747 -21.437 -1.107 445 H8 G 202 H8 G 202 5.377 -18.925 -3.968 446 H1 G 202 H1 G 202 9.129 -24.041 -5.245 447 1H2 G 202 1H2 G 202 9.331 -25.189 -3.544 448 2H2 G 202 2H2 G 202 8.592 -24.820 -2.001 449 1H5* A 203 1H5* A 203 7.915 -17.465 1.759 450 2H5* A 203 2H5* A 203 8.535 -15.816 1.714 451 H4* A 203 H4* A 203 10.355 -17.408 1.807 452 H3* A 203 H3* A 203 10.074 -15.732 -0.653 453 1H2* A 203 1H2* A 203 11.908 -16.773 -1.691 454 2HO* A 203 2HO* A 203 12.593 -18.435 0.420 455 H1* A 203 H1* A 203 11.181 -19.381 -0.813 456 H8 A 203 H8 A 203 8.657 -16.960 -2.343 457 1H6 A 203 1H6 A 203 9.547 -20.120 -7.651 458 2H6 A 203 2H6 A 203 8.612 -18.847 -6.900 459 H2 A 203 H2 A 203 12.365 -21.703 -4.601 460 1H5* C 204 1H5* C 204 13.966 -15.803 0.510 461 2H5* C 204 2H5* C 204 14.903 -14.323 0.305 462 H4* C 204 H4* C 204 15.935 -16.059 -0.969 463 H3* C 204 H3* C 204 14.518 -13.997 -2.659 464 1H2* C 204 1H2* C 204 15.307 -15.048 -4.581 465 2HO* C 204 2HO* C 204 17.456 -15.092 -3.862 466 H1* C 204 H1* C 204 15.180 -17.694 -3.563 467 1H4 C 204 1H4 C 204 9.967 -17.375 -7.200 468 2H4 C 204 2H4 C 204 9.262 -16.190 -6.125 469 H5 C 204 H5 C 204 10.374 -15.291 -4.245 470 H6 C 204 H6 C 204 12.459 -15.309 -2.922 471 1H5* U 205 1H5* U 205 18.683 -13.864 -2.724 472 2H5* U 205 2H5* U 205 19.702 -12.460 -3.036 473 H4* U 205 H4* U 205 20.192 -14.009 -4.735 474 H3* U 205 H3* U 205 18.502 -11.723 -5.655 475 1H2* U 205 1H2* U 205 18.232 -12.622 -7.786 476 2HO* U 205 2HO* U 205 20.061 -13.519 -8.550 477 H1* U 205 H1* U 205 18.235 -15.354 -6.771 478 H3 U 205 H3 U 205 14.433 -15.407 -9.211 479 H5 U 205 H5 U 205 13.584 -12.702 -6.129 480 H6 U 205 H6 U 205 15.928 -12.903 -5.439 481 1H5* A 206 1H5* A 206 21.103 -11.820 -8.130 482 2H5* A 206 2H5* A 206 21.932 -10.488 -8.933 483 H4* A 206 H4* A 206 20.332 -11.317 -10.461 484 H3* A 206 H3* A 206 19.059 -8.853 -9.210 485 1H2* A 206 1H2* A 206 17.750 -8.873 -11.123 486 2HO* A 206 2HO* A 206 18.875 -9.148 -12.985 487 H1* A 206 H1* A 206 17.931 -11.672 -11.624 488 H8 A 206 H8 A 206 17.059 -10.282 -8.181 489 1H6 A 206 1H6 A 206 11.120 -11.392 -9.744 490 2H6 A 206 2H6 A 206 12.169 -10.865 -8.449 491 H2 A 206 H2 A 206 13.675 -12.275 -13.272 492 1H5* G 207 1H5* G 207 20.472 -7.645 -12.632 493 2H5* G 207 2H5* G 207 20.520 -5.932 -13.045 494 H4* G 207 H4* G 207 18.628 -6.947 -14.112 495 H3* G 207 H3* G 207 17.577 -5.345 -11.747 496 1H2* G 207 1H2* G 207 15.649 -5.177 -13.099 497 2HO* G 207 2HO* G 207 16.712 -4.565 -14.989 498 H1* G 207 H1* G 207 15.806 -7.794 -14.073 499 H8 G 207 H8 G 207 16.648 -6.946 -10.439 500 H1 G 207 H1 G 207 10.674 -9.221 -11.438 501 1H2 G 207 1H2 G 207 10.362 -9.473 -13.461 502 2H2 G 207 2H2 G 207 11.544 -9.120 -14.702 503 1H5* C 208 1H5* C 208 17.947 -2.393 -14.848 504 2H5* C 208 2H5* C 208 17.560 -0.734 -14.396 505 H4* C 208 H4* C 208 15.806 -2.259 -15.612 506 H3* C 208 H3* C 208 15.158 -0.383 -13.319 507 1H2* C 208 1H2* C 208 12.989 -1.048 -13.538 508 2HO* C 208 2HO* C 208 13.173 0.113 -15.590 509 H1* C 208 H1* C 208 13.210 -3.362 -15.144 510 1H4 C 208 1H4 C 208 12.018 -5.828 -9.400 511 2H4 C 208 2H4 C 208 13.554 -5.241 -8.802 512 H5 C 208 H5 C 208 15.050 -3.933 -10.079 513 H6 C 208 H6 C 208 15.445 -2.857 -12.265 514 1H5* G 209 1H5* G 209 13.612 3.407 -12.902 515 2H5* G 209 2H5* G 209 14.244 1.785 -12.613 516 H4* G 209 H4* G 209 12.145 1.452 -14.453 517 H3* G 209 H3* G 209 11.525 3.660 -12.548 518 1H2* G 209 1H2* G 209 9.962 2.372 -11.503 519 2HO* G 209 2HO* G 209 8.930 1.724 -14.079 520 H1* G 209 H1* G 209 9.834 -0.016 -13.068 521 H8 G 209 H8 G 209 13.006 1.045 -11.241 522 H1 G 209 H1 G 209 9.299 -3.197 -8.056 523 1H2 G 209 1H2 G 209 7.546 -3.499 -9.100 524 2H2 G 209 2H2 G 209 7.141 -2.720 -10.612 525 1H5* G 210 1H5* G 210 10.253 6.371 -12.059 526 2H5* G 210 2H5* G 210 10.238 4.714 -11.459 527 H4* G 210 H4* G 210 8.333 5.020 -10.345 528 H3* G 210 H3* G 210 7.293 5.979 -12.938 529 1H2* G 210 1H2* G 210 6.534 7.910 -11.931 530 2HO* G 210 2HO* G 210 5.046 5.816 -10.623 531 H1* G 210 H1* G 210 6.390 7.205 -9.134 532 H8 G 210 H8 G 210 9.412 8.021 -11.364 533 H1 G 210 H1 G 210 7.850 12.536 -6.999 534 1H2 G 210 1H2 G 210 6.174 11.937 -5.958 535 2H2 G 210 2H2 G 210 5.319 10.434 -6.227 536 1H5* A 211 1H5* A 211 7.977 3.142 -10.907 537 2H5* A 211 2H5* A 211 8.124 1.388 -11.026 538 H4* A 211 H4* A 211 7.019 1.548 -9.045 539 H3* A 211 H3* A 211 5.005 1.235 -11.208 540 1H2* A 211 1H2* A 211 3.767 2.763 -9.876 541 2HO* A 211 2HO* A 211 2.820 0.658 -10.036 542 H1* A 211 H1* A 211 4.958 1.419 -7.402 543 H8 A 211 H8 A 211 4.755 5.025 -8.687 544 1H6 A 211 1H6 A 211 1.745 6.227 -3.354 545 2H6 A 211 2H6 A 211 2.386 6.948 -4.814 546 H2 A 211 H2 A 211 2.591 1.869 -3.520 547 1H5* G 212 1H5* G 212 3.099 -3.592 -9.433 548 2H5* G 212 2H5* G 212 2.530 -2.887 -7.920 549 H4* G 212 H4* G 212 5.205 -3.870 -8.675 550 H3* G 212 H3* G 212 3.399 -4.047 -6.378 551 1H2* G 212 1H2* G 212 4.774 -2.999 -4.898 552 2HO* G 212 2HO* G 212 6.360 -4.436 -4.375 553 H1* G 212 H1* G 212 7.020 -2.723 -6.884 554 H8 G 212 H8 G 212 4.167 -0.605 -5.411 555 H1 G 212 H1 G 212 10.112 1.886 -4.823 556 1H2 G 212 1H2 G 212 11.484 0.600 -5.669 557 2H2 G 212 2H2 G 212 11.083 -0.925 -6.426 558 1H5* G 213 1H5* G 213 2.312 -5.257 -8.231 559 2H5* G 213 2H5* G 213 1.246 -6.640 -8.479 560 H4* G 213 H4* G 213 1.755 -6.021 -10.637 561 H3* G 213 H3* G 213 3.543 -8.253 -9.772 562 1H2* G 213 1H2* G 213 4.907 -8.065 -11.620 563 2HO* G 213 2HO* G 213 2.900 -6.543 -12.964 564 H1* G 213 H1* G 213 4.646 -5.312 -12.127 565 H8 G 213 H8 G 213 5.200 -6.818 -8.644 566 H1 G 213 H1 G 213 10.461 -4.324 -11.470 567 1H2 G 213 1H2 G 213 9.983 -3.680 -13.369 568 2H2 G 213 2H2 G 213 8.394 -3.798 -14.089 569 1H5* C 214 1H5* C 214 2.154 -9.297 -13.825 570 2H5* C 214 2H5* C 214 2.218 -11.053 -13.967 571 H4* C 214 H4* C 214 3.728 -9.981 -15.545 572 H3* C 214 H3* C 214 4.964 -11.662 -13.374 573 1H2* C 214 1H2* C 214 7.091 -11.361 -14.356 574 2HO* C 214 2HO* C 214 6.705 -11.497 -16.509 575 H1* C 214 H1* C 214 6.726 -8.601 -14.786 576 1H4 C 214 1H4 C 214 9.949 -8.672 -9.300 577 2H4 C 214 2H4 C 214 8.600 -9.433 -8.489 578 H5 C 214 H5 C 214 6.614 -10.098 -9.579 579 H6 C 214 H6 C 214 5.421 -10.197 -11.739 580 1H5* U 215 1H5* U 215 5.363 -13.393 -17.087 581 2H5* U 215 2H5* U 215 5.422 -15.120 -17.439 582 H4* U 215 H4* U 215 7.562 -14.190 -17.921 583 H3* U 215 H3* U 215 7.452 -15.943 -15.491 584 1H2* U 215 1H2* U 215 9.640 -15.478 -14.938 585 2HO* U 215 2HO* U 215 10.809 -15.944 -16.707 586 H1* U 215 H1* U 215 9.711 -12.888 -16.254 587 H3 U 215 H3 U 215 11.256 -11.748 -12.167 588 H5 U 215 H5 U 215 7.302 -12.912 -11.426 589 H6 U 215 H6 U 215 7.173 -13.614 -13.771 590 1H5* A 216 1H5* A 216 9.926 -17.267 -18.345 591 2H5* A 216 2H5* A 216 10.326 -18.911 -18.840 592 H4* A 216 H4* A 216 12.297 -18.040 -17.918 593 H3* A 216 H3* A 216 10.894 -19.863 -15.975 594 1H2* A 216 1H2* A 216 12.575 -19.531 -14.406 595 2HO* A 216 2HO* A 216 14.043 -18.544 -16.681 596 H1* A 216 H1* A 216 13.102 -16.814 -15.318 597 H8 A 216 H8 A 216 9.690 -17.919 -14.073 598 1H6 A 216 1H6 A 216 11.366 -15.453 -8.590 599 2H6 A 216 2H6 A 216 10.041 -16.180 -9.472 600 H2 A 216 H2 A 216 14.878 -15.314 -11.307 601 1H5* G 217 1H5* G 217 14.466 -21.064 -16.753 602 2H5* G 217 2H5* G 217 15.169 -22.676 -16.620 603 H4* G 217 H4* G 217 15.959 -21.511 -14.753 604 H3* G 217 H3* G 217 13.544 -23.094 -13.798 605 1H2* G 217 1H2* G 217 14.361 -22.687 -11.652 606 2HO* G 217 2HO* G 217 16.814 -22.110 -13.049 607 H1* G 217 H1* G 217 15.545 -20.156 -12.383 608 H8 G 217 H8 G 217 11.883 -20.965 -13.023 609 H1 G 217 H1 G 217 13.040 -17.714 -7.548 610 1H2 G 217 1H2 G 217 15.075 -17.555 -7.258 611 2H2 G 217 2H2 G 217 16.288 -18.206 -8.337 612 1H5* U 218 1H5* U 218 16.707 -24.808 -12.473 613 2H5* U 218 2H5* U 218 16.833 -26.468 -11.892 614 H4* U 218 H4* U 218 16.825 -25.072 -9.984 615 H3* U 218 H3* U 218 13.980 -26.122 -10.237 616 1H2* U 218 1H2* U 218 13.868 -25.616 -7.974 617 2HO* U 218 2HO* U 218 16.724 -25.917 -8.179 618 H1* U 218 H1* U 218 15.729 -23.499 -7.969 619 H3 U 218 H3 U 218 12.153 -20.938 -7.149 620 H5 U 218 H5 U 218 11.167 -22.718 -10.809 621 H6 U 218 H6 U 218 13.250 -24.000 -10.634 622 1H5* C 219 1H5* C 219 15.756 -28.239 -7.648 623 2H5* C 219 2H5* C 219 15.331 -29.860 -7.099 624 H4* C 219 H4* C 219 14.838 -27.838 -5.571 625 H3* C 219 H3* C 219 13.078 -30.191 -6.082 626 1H2* C 219 1H2* C 219 11.282 -28.789 -5.701 627 2HO* C 219 2HO* C 219 12.673 -28.810 -3.178 628 H1* C 219 H1* C 219 12.556 -26.666 -4.135 629 1H4 C 219 1H4 C 219 9.148 -23.174 -8.202 630 2H4 C 219 2H4 C 219 9.656 -24.169 -9.548 631 H5 C 219 H5 C 219 11.077 -26.044 -9.335 632 H6 C 219 H6 C 219 12.373 -27.438 -7.763 633 1H5* C 220 1H5* C 220 12.424 -31.672 -2.124 634 2H5* C 220 2H5* C 220 12.582 -33.348 -2.646 635 H4* C 220 H4* C 220 10.275 -32.877 -2.195 636 H3* C 220 H3* C 220 10.879 -33.164 -5.148 637 1H2* C 220 1H2* C 220 8.589 -33.093 -5.561 638 2HO* C 220 2HO* C 220 8.403 -33.652 -2.740 639 H1* C 220 H1* C 220 8.020 -31.314 -3.373 640 1H4 C 220 1H4 C 220 7.376 -27.323 -8.274 641 2H4 C 220 2H4 C 220 8.888 -27.863 -8.967 642 H5 C 220 H5 C 220 10.250 -29.538 -8.010 643 H6 C 220 H6 C 220 10.499 -31.125 -6.133 No H/Q in entry = 643 Start of MODEL 19 1 H MET 1 HN MET 1 7.216 -11.427 5.169 2 HA MET 1 HA MET 1 4.592 -12.514 5.746 3 1HB MET 1 2HB MET 1 5.458 -9.701 6.013 4 2HB MET 1 3HB MET 1 4.144 -9.847 4.863 5 1HG MET 1 2HG MET 1 2.728 -9.899 6.645 6 2HG MET 1 3HG MET 1 3.329 -11.513 6.974 7 1HE MET 1 3HE MET 1 2.252 -10.676 9.126 8 2HE MET 1 1HE MET 1 3.253 -10.078 10.472 9 3HE MET 1 2HE MET 1 2.439 -8.925 9.387 10 H GLN 2 HN GLN 2 3.016 -11.786 3.817 11 HA GLN 2 HA GLN 2 4.084 -12.899 1.534 12 1HB GLN 2 2HB GLN 2 1.550 -11.637 2.361 13 2HB GLN 2 3HB GLN 2 1.894 -11.394 0.660 14 1HG GLN 2 2HG GLN 2 2.481 -13.990 0.698 15 2HG GLN 2 3HG GLN 2 1.518 -13.997 2.162 16 1HE2 GLN 2 2HE2 GLN 2 -0.372 -14.489 -1.197 17 2HE2 GLN 2 1HE2 GLN 2 1.218 -14.982 -0.719 18 H LYS 3 HN LYS 3 3.555 -11.468 -0.714 19 HA LYS 3 HA LYS 3 4.223 -9.829 -2.041 20 1HB LYS 3 2HB LYS 3 3.869 -8.450 0.499 21 2HB LYS 3 3HB LYS 3 5.145 -7.717 -0.452 22 1HG LYS 3 2HG LYS 3 3.513 -7.797 -2.457 23 2HG LYS 3 3HG LYS 3 2.260 -8.213 -1.305 24 1HD LYS 3 2HD LYS 3 3.533 -6.003 -0.116 25 2HD LYS 3 3HD LYS 3 3.533 -5.603 -1.822 26 1HE LYS 3 2HE LYS 3 1.444 -4.766 -1.109 27 2HE LYS 3 3HE LYS 3 1.011 -6.323 -1.786 28 1HZ LYS 3 1HZ LYS 3 1.646 -6.082 1.089 29 2HZ LYS 3 2HZ LYS 3 0.146 -5.754 0.548 30 H GLY 4 HN GLY 4 5.900 -11.789 -2.017 31 1HA GLY 4 1HA GLY 4 8.427 -11.477 -0.884 32 2HA GLY 4 2HA GLY 4 8.038 -12.409 -2.317 33 H ASN 5 HN ASN 5 6.879 -9.854 -3.626 34 HA ASN 5 HA ASN 5 9.076 -9.224 -5.115 35 1HB ASN 5 2HB ASN 5 6.458 -8.691 -5.370 36 2HB ASN 5 3HB ASN 5 6.907 -7.156 -4.653 37 1HD2 ASN 5 2HD2 ASN 5 8.006 -5.782 -7.614 38 2HD2 ASN 5 1HD2 ASN 5 7.323 -5.623 -6.031 39 H PHE 6 HN PHE 6 8.090 -8.183 -1.921 40 HA PHE 6 HA PHE 6 9.179 -5.630 -1.825 41 1HB PHE 6 2HB PHE 6 7.766 -6.403 -0.028 42 2HB PHE 6 3HB PHE 6 8.619 -7.928 0.100 43 HD1 PHE 6 HD2 PHE 6 10.993 -7.888 1.050 44 HD2 PHE 6 HD1 PHE 6 8.318 -4.610 1.379 45 HE1 PHE 6 HE2 PHE 6 12.350 -6.972 2.952 46 HE2 PHE 6 HE1 PHE 6 9.675 -3.694 3.281 47 HZ PHE 6 HZ PHE 6 11.675 -4.885 4.045 48 H ARG 7 HN ARG 7 10.728 -8.699 -2.193 49 HA ARG 7 HA ARG 7 13.014 -8.292 -0.721 50 1HB ARG 7 2HB ARG 7 14.033 -9.996 -2.239 51 2HB ARG 7 3HB ARG 7 12.422 -10.469 -1.739 52 1HG ARG 7 2HG ARG 7 11.540 -9.438 -3.909 53 2HG ARG 7 3HG ARG 7 13.205 -9.213 -4.409 54 1HD ARG 7 2HD ARG 7 13.251 -11.353 -5.161 55 2HD ARG 7 3HD ARG 7 13.017 -11.923 -3.520 56 HE ARG 7 HE ARG 7 10.777 -12.373 -4.022 57 1HH1 ARG 7 2HH2 ARG 7 12.056 -10.141 -6.459 58 2HH1 ARG 7 1HH2 ARG 7 10.636 -10.213 -7.449 59 HH2 ARG 7 HH1 ARG 7 8.797 -11.588 -6.765 60 H ASN 8 HN ASN 8 11.818 -6.576 -3.442 61 HA ASN 8 HA ASN 8 14.035 -6.089 -4.940 62 1HB ASN 8 2HB ASN 8 12.889 -3.859 -5.461 63 2HB ASN 8 3HB ASN 8 11.863 -5.266 -5.658 64 1HD2 ASN 8 2HD2 ASN 8 10.401 -2.355 -3.571 65 2HD2 ASN 8 1HD2 ASN 8 11.430 -2.351 -4.964 66 H GLN 9 HN GLN 9 13.288 -5.195 -1.650 67 HA GLN 9 HA GLN 9 14.606 -2.783 -1.442 68 1HB GLN 9 2HB GLN 9 13.810 -4.972 0.453 69 2HB GLN 9 3HB GLN 9 14.964 -3.793 1.041 70 1HG GLN 9 2HG GLN 9 13.342 -1.968 0.209 71 2HG GLN 9 3HG GLN 9 12.170 -3.245 -0.050 72 1HE2 GLN 9 2HE2 GLN 9 11.224 -2.107 3.213 73 2HE2 GLN 9 1HE2 GLN 9 11.062 -1.763 1.523 74 H ARG 10 HN ARG 10 15.843 -5.895 -2.182 75 HA ARG 10 HA ARG 10 18.253 -5.820 -0.832 76 1HB ARG 10 2HB ARG 10 18.914 -7.620 -2.282 77 2HB ARG 10 3HB ARG 10 17.178 -7.783 -2.114 78 1HG ARG 10 2HG ARG 10 17.007 -6.332 -4.274 79 2HG ARG 10 3HG ARG 10 18.722 -6.637 -4.474 80 1HD ARG 10 2HD ARG 10 18.068 -9.177 -4.155 81 2HD ARG 10 3HD ARG 10 16.438 -8.640 -4.509 82 HE ARG 10 HE ARG 10 18.522 -7.760 -6.418 83 1HH1 ARG 10 2HH2 ARG 10 15.957 -10.092 -5.686 84 2HH1 ARG 10 1HH2 ARG 10 15.777 -10.600 -7.333 85 HH2 ARG 10 HH1 ARG 10 17.158 -9.609 -9.023 86 H LYS 11 HN LYS 11 17.035 -3.789 -3.298 87 HA LYS 11 HA LYS 11 19.768 -2.976 -4.008 88 1HB LYS 11 2HB LYS 11 18.721 -4.080 -5.915 89 2HB LYS 11 3HB LYS 11 17.315 -3.043 -5.790 90 1HG LYS 11 2HG LYS 11 18.483 -1.128 -6.530 91 2HG LYS 11 3HG LYS 11 20.043 -1.763 -6.049 92 1HD LYS 11 2HD LYS 11 20.178 -2.072 -8.355 93 2HD LYS 11 3HD LYS 11 19.529 -3.629 -7.879 94 1HE LYS 11 2HE LYS 11 17.915 -3.171 -9.446 95 2HE LYS 11 3HE LYS 11 17.192 -2.223 -8.162 96 1HZ LYS 11 1HZ LYS 11 19.224 -0.796 -9.639 97 2HZ LYS 11 2HZ LYS 11 17.945 -1.216 -10.554 98 H THR 12 HN THR 12 18.393 -2.082 -1.685 99 HA THR 12 HA THR 12 17.399 -0.274 -0.747 100 HB THR 12 HB THR 12 19.968 0.094 -1.236 101 HG1 THR 12 HG1 THR 12 18.656 1.242 0.363 102 1HG2 THR 12 1HG2 THR 12 18.918 1.245 -3.597 103 2HG2 THR 12 2HG2 THR 12 19.252 2.635 -2.536 104 3HG2 THR 12 3HG2 THR 12 20.557 1.495 -2.949 105 H VAL 13 HN VAL 13 15.662 -1.055 -2.681 106 HA VAL 13 HA VAL 13 15.036 0.467 -4.771 107 HB VAL 13 HB VAL 13 12.628 0.103 -4.100 108 1HG1 VAL 13 2HG1 VAL 13 14.732 -1.898 -4.580 109 2HG1 VAL 13 3HG1 VAL 13 13.250 -2.565 -3.852 110 3HG1 VAL 13 1HG1 VAL 13 13.161 -1.665 -5.384 111 1HG2 VAL 13 2HG2 VAL 13 14.004 -0.908 -1.615 112 2HG2 VAL 13 3HG2 VAL 13 12.580 0.150 -1.766 113 3HG2 VAL 13 1HG2 VAL 13 12.442 -1.586 -2.138 114 H LYS 14 HN LYS 14 13.669 2.372 -5.152 115 HA LYS 14 HA LYS 14 14.074 4.338 -3.017 116 1HB LYS 14 2HB LYS 14 14.266 5.992 -4.660 117 2HB LYS 14 3HB LYS 14 15.164 4.634 -5.307 118 1HG LYS 14 2HG LYS 14 13.246 3.979 -6.719 119 2HG LYS 14 3HG LYS 14 12.251 5.232 -6.003 120 1HD LYS 14 2HD LYS 14 14.839 5.793 -7.525 121 2HD LYS 14 3HD LYS 14 13.251 5.837 -8.263 122 1HE LYS 14 2HE LYS 14 12.726 7.861 -7.319 123 2HE LYS 14 3HE LYS 14 13.407 7.423 -5.764 124 1HZ LYS 14 1HZ LYS 14 14.652 9.212 -6.954 125 2HZ LYS 14 2HZ LYS 14 15.599 7.941 -6.579 126 H CYS 15 HN CYS 15 12.352 5.424 -2.116 127 HA CYS 15 HA CYS 15 9.802 4.251 -2.531 128 1HB CYS 15 2HB CYS 15 10.547 4.993 -0.306 129 2HB CYS 15 3HB CYS 15 10.617 6.653 -0.861 130 H PHE 16 HN PHE 16 8.479 4.791 -4.230 131 HA PHE 16 HA PHE 16 8.999 7.180 -5.719 132 1HB PHE 16 2HB PHE 16 7.000 4.857 -5.770 133 2HB PHE 16 3HB PHE 16 6.837 6.188 -6.897 134 HD1 PHE 16 HD1 PHE 16 9.635 6.736 -7.617 135 HD2 PHE 16 HD2 PHE 16 7.644 3.033 -7.049 136 HE1 PHE 16 HE1 PHE 16 11.266 5.623 -9.167 137 HE2 PHE 16 HE2 PHE 16 9.274 1.919 -8.600 138 HZ PHE 16 HZ PHE 16 11.065 3.226 -9.640 139 H ASN 17 HN ASN 17 7.723 6.975 -2.777 140 HA ASN 17 HA ASN 17 5.363 8.550 -3.390 141 1HB ASN 17 2HB ASN 17 5.432 6.493 -1.727 142 2HB ASN 17 3HB ASN 17 6.198 7.611 -0.615 143 1HD2 ASN 17 2HD2 ASN 17 2.970 8.308 0.533 144 2HD2 ASN 17 1HD2 ASN 17 4.489 7.523 0.812 145 H CYS 18 HN CYS 18 8.312 8.420 -1.259 146 HA CYS 18 HA CYS 18 8.045 11.299 -0.850 147 1HB CYS 18 2HB CYS 18 9.621 10.990 1.027 148 2HB CYS 18 3HB CYS 18 8.164 10.034 1.214 149 H GLY 19 HN GLY 19 10.260 8.634 -1.875 150 1HA GLY 19 1HA GLY 19 11.647 8.948 -3.784 151 2HA GLY 19 2HA GLY 19 11.843 10.636 -3.355 152 H LYS 20 HN LYS 20 11.916 8.032 -0.910 153 HA LYS 20 HA LYS 20 14.798 8.533 -0.629 154 1HB LYS 20 2HB LYS 20 12.584 8.463 1.353 155 2HB LYS 20 3HB LYS 20 14.078 7.686 1.836 156 1HG LYS 20 2HG LYS 20 14.989 9.714 2.266 157 2HG LYS 20 3HG LYS 20 14.830 10.141 0.574 158 1HD LYS 20 2HD LYS 20 12.251 10.313 1.990 159 2HD LYS 20 3HD LYS 20 13.468 11.333 2.730 160 1HE LYS 20 2HE LYS 20 13.010 11.344 -0.280 161 2HE LYS 20 3HE LYS 20 12.058 12.352 0.792 162 1HZ LYS 20 1HZ LYS 20 13.796 13.746 1.066 163 2HZ LYS 20 2HZ LYS 20 14.877 12.554 1.317 164 H GLU 21 HN GLU 21 16.172 6.762 -0.446 165 HA GLU 21 HA GLU 21 14.987 4.304 -1.312 166 1HB GLU 21 2HB GLU 21 17.823 5.306 -0.947 167 2HB GLU 21 3HB GLU 21 17.520 3.598 -1.197 168 1HG GLU 21 2HG GLU 21 17.270 3.937 -3.422 169 2HG GLU 21 3HG GLU 21 15.944 5.044 -3.128 170 HE2 GLU 21 HE2 GLU 21 18.915 6.160 -4.878 171 H GLY 22 HN GLY 22 14.938 2.333 -0.146 172 1HA GLY 22 1HA GLY 22 15.896 1.140 1.798 173 2HA GLY 22 2HA GLY 22 15.595 2.594 2.729 174 H HIS 23 HN HIS 23 13.129 2.377 0.425 175 HA HIS 23 HA HIS 23 11.500 0.383 1.461 176 1HB HIS 23 2HB HIS 23 10.047 1.447 2.950 177 2HB HIS 23 3HB HIS 23 11.649 1.922 3.481 178 HD1 HIS 23 HD1 HIS 23 12.304 4.427 3.275 179 HD2 HIS 23 HD2 HIS 23 8.470 3.538 1.824 180 HE1 HIS 23 HE1 HIS 23 11.135 6.667 2.925 181 H ILE 24 HN ILE 24 9.267 0.518 0.529 182 HA ILE 24 HA ILE 24 9.323 2.233 -1.852 183 HB ILE 24 HB ILE 24 8.140 0.575 -3.017 184 1HG1 ILE 24 2HG1 ILE 24 7.831 -1.018 -0.457 185 2HG1 ILE 24 3HG1 ILE 24 6.583 0.015 -1.126 186 1HG2 ILE 24 3HG2 ILE 24 10.618 -0.050 -1.683 187 2HG2 ILE 24 1HG2 ILE 24 9.684 -1.535 -1.983 188 3HG2 ILE 24 2HG2 ILE 24 10.083 -0.446 -3.333 189 1HD1 ILE 24 1HD1 ILE 24 7.894 -2.175 -2.785 190 2HD1 ILE 24 2HD1 ILE 24 6.476 -2.486 -1.754 191 3HD1 ILE 24 3HD1 ILE 24 6.361 -1.325 -3.100 192 H ALA 25 HN ALA 25 7.191 3.055 -2.604 193 HA ALA 25 HA ALA 25 5.896 4.489 -0.684 194 1HB ALA 25 2HB ALA 25 5.804 4.810 -3.168 195 2HB ALA 25 3HB ALA 25 4.695 3.421 -3.271 196 3HB ALA 25 1HB ALA 25 4.206 4.888 -2.389 197 H LYS 26 HN LYS 26 5.276 1.140 -1.807 198 HA LYS 26 HA LYS 26 2.799 0.806 -0.584 199 1HB LYS 26 2HB LYS 26 4.936 -1.288 -1.079 200 2HB LYS 26 3HB LYS 26 3.226 -1.578 -0.839 201 1HG LYS 26 2HG LYS 26 3.954 0.368 -3.006 202 2HG LYS 26 3HG LYS 26 4.358 -1.312 -3.303 203 1HD LYS 26 2HD LYS 26 1.645 -1.012 -2.183 204 2HD LYS 26 3HD LYS 26 1.839 -0.115 -3.675 205 1HE LYS 26 2HE LYS 26 2.977 -2.348 -4.556 206 2HE LYS 26 3HE LYS 26 2.137 -3.095 -3.212 207 1HZ LYS 26 1HZ LYS 26 0.378 -1.365 -4.623 208 2HZ LYS 26 2HZ LYS 26 1.038 -2.432 -5.661 209 H ASN 27 HN ASN 27 6.163 0.312 0.640 210 HA ASN 27 HA ASN 27 5.057 -0.328 3.222 211 1HB ASN 27 2HB ASN 27 7.889 -0.288 2.076 212 2HB ASN 27 3HB ASN 27 7.598 -0.536 3.787 213 1HD2 ASN 27 2HD2 ASN 27 6.249 -3.339 1.029 214 2HD2 ASN 27 1HD2 ASN 27 6.349 -1.654 0.640 215 H CYS 28 HN CYS 28 5.333 2.448 1.591 216 HA CYS 28 HA CYS 28 6.963 3.982 3.376 217 1HB CYS 28 2HB CYS 28 6.846 4.548 0.987 218 2HB CYS 28 3HB CYS 28 5.124 4.850 1.119 219 H ARG 29 HN ARG 29 6.239 5.093 5.189 220 HA ARG 29 HA ARG 29 3.697 4.479 6.152 221 1HB ARG 29 2HB ARG 29 5.992 6.232 7.022 222 2HB ARG 29 3HB ARG 29 4.442 6.513 7.786 223 1HG ARG 29 2HG ARG 29 5.283 3.646 7.578 224 2HG ARG 29 3HG ARG 29 6.243 4.642 8.655 225 1HD ARG 29 2HD ARG 29 4.369 5.176 10.039 226 2HD ARG 29 3HD ARG 29 3.209 4.719 8.807 227 HE ARG 29 HE ARG 29 3.499 2.434 9.371 228 1HH1 ARG 29 2HH2 ARG 29 5.837 4.445 11.115 229 2HH1 ARG 29 1HH2 ARG 29 6.306 3.178 12.200 230 HH2 ARG 29 HH1 ARG 29 5.281 1.021 11.997 231 H ALA 30 HN ALA 30 5.086 7.206 4.331 232 HA ALA 30 HA ALA 30 3.150 9.131 4.867 233 1HB ALA 30 2HB ALA 30 5.315 9.585 3.791 234 2HB ALA 30 3HB ALA 30 4.821 8.639 2.368 235 3HB ALA 30 1HB ALA 30 3.977 10.154 2.766 236 HA PRO 31 HA PRO 31 -0.280 7.745 2.628 237 1HB PRO 31 2HB PRO 31 -1.551 10.088 2.027 238 2HB PRO 31 3HB PRO 31 -1.652 9.319 3.598 239 1HG PRO 31 2HG PRO 31 -0.105 11.708 2.801 240 2HG PRO 31 3HG PRO 31 -0.558 11.181 4.409 241 1HD PRO 31 2HD PRO 31 2.025 10.937 3.186 242 2HD PRO 31 3HD PRO 31 1.541 10.306 4.748 243 H ARG 32 HN ARG 32 -1.335 7.442 0.586 244 HA ARG 32 HA ARG 32 0.486 7.402 -1.440 245 1HB ARG 32 2HB ARG 32 -2.079 6.460 -1.064 246 2HB ARG 32 3HB ARG 32 -2.377 7.711 -2.253 247 1HG ARG 32 2HG ARG 32 -1.841 6.040 -3.741 248 2HG ARG 32 3HG ARG 32 -0.201 6.557 -3.405 249 1HD ARG 32 2HD ARG 32 -1.508 4.456 -1.645 250 2HD ARG 32 3HD ARG 32 -0.827 3.995 -3.192 251 HE ARG 32 HE ARG 32 1.363 4.568 -2.402 252 1HH1 ARG 32 2HH2 ARG 32 -1.123 5.188 0.043 253 2HH1 ARG 32 1HH2 ARG 32 0.013 5.324 1.343 254 HH2 ARG 32 HH1 ARG 32 2.352 5.061 0.890 255 H LYS 33 HN LYS 33 1.516 9.221 -2.247 256 HA LYS 33 HA LYS 33 -0.231 11.422 -3.090 257 1HB LYS 33 2HB LYS 33 1.606 11.544 -0.974 258 2HB LYS 33 3HB LYS 33 2.425 12.319 -2.314 259 1HG LYS 33 2HG LYS 33 0.108 13.553 -2.681 260 2HG LYS 33 3HG LYS 33 -0.219 13.066 -1.029 261 1HD LYS 33 2HD LYS 33 2.430 14.390 -1.639 262 2HD LYS 33 3HD LYS 33 0.993 15.393 -1.572 263 1HE LYS 33 2HE LYS 33 1.715 15.456 0.664 264 2HE LYS 33 3HE LYS 33 0.523 14.171 0.717 265 1HZ LYS 33 1HZ LYS 33 2.258 12.541 0.630 266 2HZ LYS 33 2HZ LYS 33 3.412 13.640 0.291 267 H LYS 34 HN LYS 34 1.450 12.974 -4.512 268 HA LYS 34 HA LYS 34 3.133 11.307 -6.162 269 1HB LYS 34 2HB LYS 34 0.604 11.215 -6.930 270 2HB LYS 34 3HB LYS 34 0.967 12.785 -7.617 271 1HG LYS 34 2HG LYS 34 1.775 11.622 -9.405 272 2HG LYS 34 3HG LYS 34 3.187 11.332 -8.409 273 1HD LYS 34 2HD LYS 34 2.576 9.153 -9.083 274 2HD LYS 34 3HD LYS 34 1.876 9.268 -7.482 275 1HE LYS 34 2HE LYS 34 -0.319 9.968 -8.544 276 2HE LYS 34 3HE LYS 34 0.400 9.709 -10.120 277 1HZ LYS 34 1HZ LYS 34 -0.452 7.632 -9.771 278 2HZ LYS 34 2HZ LYS 34 0.948 7.372 -8.979 279 H GLY 35 HN GLY 35 4.159 13.113 -4.528 280 1HA GLY 35 1HA GLY 35 4.298 15.682 -5.947 281 2HA GLY 35 2HA GLY 35 4.815 15.354 -4.305 282 H CYS 36 HN CYS 36 6.044 16.206 -7.189 283 HA CYS 36 HA CYS 36 8.026 14.326 -7.717 284 1HB CYS 36 2HB CYS 36 7.458 15.964 -9.378 285 2HB CYS 36 3HB CYS 36 7.853 17.293 -8.307 286 H TRP 37 HN TRP 37 9.747 13.745 -6.439 287 HA TRP 37 HA TRP 37 10.414 15.419 -4.181 288 1HB TRP 37 2HB TRP 37 12.141 13.153 -4.489 289 2HB TRP 37 3HB TRP 37 10.980 13.513 -3.226 290 HD1 TRP 37 HD1 TRP 37 8.381 12.565 -3.700 291 HE1 TRP 37 HE1 TRP 37 7.476 10.441 -4.979 292 HE3 TRP 37 HE3 TRP 37 12.618 11.727 -6.383 293 HZ2 TRP 37 HZ2 TRP 37 8.609 8.689 -6.927 294 HZ3 TRP 37 HZ3 TRP 37 12.636 9.788 -7.951 295 HH2 TRP 37 HH2 TRP 37 10.723 8.296 -8.245 296 H LYS 38 HN LYS 38 10.856 16.572 -6.819 297 HA LYS 38 HA LYS 38 13.779 16.776 -6.700 298 1HB LYS 38 2HB LYS 38 12.463 15.494 -8.743 299 2HB LYS 38 3HB LYS 38 12.585 17.123 -9.373 300 1HG LYS 38 2HG LYS 38 14.616 16.116 -10.063 301 2HG LYS 38 3HG LYS 38 15.083 17.043 -8.652 302 1HD LYS 38 2HD LYS 38 14.234 14.511 -7.656 303 2HD LYS 38 3HD LYS 38 15.204 14.157 -9.071 304 1HE LYS 38 2HE LYS 38 16.912 15.889 -8.054 305 2HE LYS 38 3HE LYS 38 16.019 15.664 -6.563 306 1HZ LYS 38 1HZ LYS 38 17.869 14.090 -6.739 307 2HZ LYS 38 2HZ LYS 38 16.463 13.270 -6.723 308 H CYS 39 HN CYS 39 10.653 18.236 -7.799 309 HA CYS 39 HA CYS 39 11.916 20.846 -7.401 310 1HB CYS 39 2HB CYS 39 10.033 21.716 -8.826 311 2HB CYS 39 3HB CYS 39 11.170 20.673 -9.657 312 H GLY 40 HN GLY 40 9.277 18.605 -6.559 313 1HA GLY 40 1HA GLY 40 8.232 18.616 -4.477 314 2HA GLY 40 2HA GLY 40 8.598 20.318 -4.281 315 H LYS 41 HN LYS 41 7.389 19.229 -7.415 316 HA LYS 41 HA LYS 41 4.928 20.699 -6.876 317 1HB LYS 41 2HB LYS 41 6.723 20.708 -9.014 318 2HB LYS 41 3HB LYS 41 5.350 19.805 -9.621 319 1HG LYS 41 2HG LYS 41 3.811 21.615 -9.084 320 2HG LYS 41 3HG LYS 41 5.042 22.475 -8.181 321 1HD LYS 41 2HD LYS 41 6.288 22.190 -10.636 322 2HD LYS 41 3HD LYS 41 4.611 22.328 -11.124 323 1HE LYS 41 2HE LYS 41 5.860 24.281 -9.146 324 2HE LYS 41 3HE LYS 41 5.973 24.530 -10.877 325 1HZ LYS 41 1HZ LYS 41 3.404 24.202 -9.419 326 2HZ LYS 41 2HZ LYS 41 4.017 25.636 -9.888 327 H GLU 42 HN GLU 42 3.014 19.683 -6.566 328 HA GLU 42 HA GLU 42 3.047 16.821 -6.747 329 1HB GLU 42 2HB GLU 42 0.862 16.960 -5.595 330 2HB GLU 42 3HB GLU 42 2.081 17.900 -4.755 331 1HG GLU 42 2HG GLU 42 0.772 19.740 -4.936 332 2HG GLU 42 3HG GLU 42 0.912 19.661 -6.680 333 HE2 GLU 42 HE2 GLU 42 -1.619 20.378 -6.359 334 H GLY 43 HN GLY 43 2.310 15.684 -8.489 335 1HA GLY 43 1HA GLY 43 0.144 15.630 -9.873 336 2HA GLY 43 2HA GLY 43 0.741 17.153 -10.501 337 H HIS 44 HN HIS 44 3.507 16.733 -10.697 338 HA HIS 44 HA HIS 44 3.549 14.651 -12.744 339 1HB HIS 44 2HB HIS 44 5.215 15.877 -13.854 340 2HB HIS 44 3HB HIS 44 4.030 17.063 -13.340 341 HD1 HIS 44 HD1 HIS 44 4.815 18.936 -11.799 342 HD2 HIS 44 HD2 HIS 44 7.672 15.904 -12.293 343 HE1 HIS 44 HE1 HIS 44 6.967 19.800 -10.735 344 H GLN 45 HN GLN 45 6.152 13.992 -13.007 345 HA GLN 45 HA GLN 45 7.039 13.321 -10.321 346 1HB GLN 45 2HB GLN 45 7.465 11.011 -10.949 347 2HB GLN 45 3HB GLN 45 5.789 11.380 -11.301 348 1HG GLN 45 2HG GLN 45 7.014 12.091 -13.685 349 2HG GLN 45 3HG GLN 45 8.020 10.752 -13.167 350 1HE2 GLN 45 2HE2 GLN 45 5.823 8.411 -14.426 351 2HE2 GLN 45 1HE2 GLN 45 7.435 8.996 -14.180 352 H MET 46 HN MET 46 9.393 12.660 -10.262 353 HA MET 46 HA MET 46 10.956 14.507 -11.475 354 1HB MET 46 2HB MET 46 11.610 13.067 -9.530 355 2HB MET 46 3HB MET 46 11.673 11.661 -10.573 356 1HG MET 46 2HG MET 46 13.416 13.058 -11.975 357 2HG MET 46 3HG MET 46 13.534 14.064 -10.544 358 1HE MET 46 3HE MET 46 15.692 12.756 -11.908 359 2HE MET 46 1HE MET 46 16.464 12.982 -10.319 360 3HE MET 46 2HE MET 46 16.493 11.385 -11.104 361 H LYS 47 HN LYS 47 10.152 11.173 -12.595 362 HA LYS 47 HA LYS 47 11.942 11.041 -14.701 363 1HB LYS 47 2HB LYS 47 10.632 9.150 -13.780 364 2HB LYS 47 3HB LYS 47 9.175 9.816 -14.490 365 1HG LYS 47 2HG LYS 47 11.447 9.548 -16.397 366 2HG LYS 47 3HG LYS 47 10.868 8.024 -15.750 367 1HD LYS 47 2HD LYS 47 8.788 9.990 -16.678 368 2HD LYS 47 3HD LYS 47 9.749 9.208 -17.917 369 1HE LYS 47 2HE LYS 47 9.132 6.970 -17.002 370 2HE LYS 47 3HE LYS 47 8.202 7.735 -15.729 371 1HZ LYS 47 1HZ LYS 47 6.537 8.267 -17.183 372 2HZ LYS 47 2HZ LYS 47 7.527 8.547 -18.446 373 H ASP 48 HN ASP 48 8.746 12.631 -14.407 374 HA ASP 48 HA ASP 48 9.165 13.614 -17.119 375 1HB ASP 48 2HB ASP 48 6.905 12.379 -15.924 376 2HB ASP 48 3HB ASP 48 6.487 14.079 -16.015 377 HD1 ASP 48 HD2 ASP 48 6.445 14.993 -18.020 378 H CYS 49 HN CYS 49 10.435 14.705 -14.701 379 HA CYS 49 HA CYS 49 9.078 16.717 -13.452 380 1HB CYS 49 2HB CYS 49 11.368 15.884 -12.877 381 2HB CYS 49 3HB CYS 49 12.009 16.777 -14.241 382 H THR 50 HN THR 50 7.919 18.361 -14.398 383 HA THR 50 HA THR 50 8.551 19.216 -17.071 384 HB THR 50 HB THR 50 6.211 18.914 -16.160 385 HG1 THR 50 HG1 THR 50 6.265 20.396 -17.850 386 1HG2 THR 50 1HG2 THR 50 7.255 20.913 -14.202 387 2HG2 THR 50 2HG2 THR 50 5.678 21.326 -14.919 388 3HG2 THR 50 3HG2 THR 50 5.884 19.789 -14.046 389 H GLU 51 HN GLU 51 10.097 19.790 -14.230 390 HA GLU 51 HA GLU 51 11.081 22.278 -15.274 391 1HB GLU 51 2HB GLU 51 9.283 22.159 -12.982 392 2HB GLU 51 3HB GLU 51 10.843 22.786 -12.490 393 1HG GLU 51 2HG GLU 51 10.541 24.198 -14.795 394 2HG GLU 51 3HG GLU 51 8.849 23.945 -14.415 395 HE2 GLU 51 HE2 GLU 51 8.083 25.431 -13.240 396 H ARG 52 HN ARG 52 12.752 20.474 -15.654 397 HA ARG 52 HA ARG 52 13.986 19.061 -13.776 398 1HB ARG 52 2HB ARG 52 14.491 19.521 -16.377 399 2HB ARG 52 3HB ARG 52 15.742 20.564 -15.729 400 1HG ARG 52 2HG ARG 52 16.672 18.666 -14.415 401 2HG ARG 52 3HG ARG 52 15.395 17.617 -14.998 402 1HD ARG 52 2HD ARG 52 16.677 18.901 -17.273 403 2HD ARG 52 3HD ARG 52 17.910 18.184 -16.253 404 HE ARG 52 HE ARG 52 17.041 16.030 -16.710 405 1HH1 ARG 52 2HH2 ARG 52 14.877 18.519 -18.005 406 2HH1 ARG 52 1HH2 ARG 52 13.944 17.398 -18.938 407 HH2 ARG 52 HH1 ARG 52 14.510 15.070 -18.886 408 H GLN 53 HN GLN 53 15.477 19.390 -12.085 409 HA GLN 53 HA GLN 53 17.122 21.566 -11.850 410 1HB GLN 53 2HB GLN 53 14.463 22.327 -11.292 411 2HB GLN 53 3HB GLN 53 15.194 22.126 -9.712 412 1HG GLN 53 2HG GLN 53 17.115 23.592 -10.453 413 2HG GLN 53 3HG GLN 53 16.300 23.844 -11.985 414 1HE2 GLN 53 2HE2 GLN 53 15.144 26.790 -10.432 415 2HE2 GLN 53 1HE2 GLN 53 16.334 26.081 -11.474 416 H ALA 54 HN ALA 54 18.531 21.309 -10.047 417 HA ALA 54 HA ALA 54 17.852 19.022 -8.327 418 1HB ALA 54 2HB ALA 54 20.045 19.425 -10.149 419 2HB ALA 54 3HB ALA 54 20.678 19.381 -8.487 420 3HB ALA 54 1HB ALA 54 19.706 18.023 -9.105 421 H ASN 55 HN ASN 55 20.121 21.861 -8.553 422 HA ASN 55 HA ASN 55 19.919 22.110 -5.694 423 1HB ASN 55 2HB ASN 55 21.933 22.643 -7.630 424 2HB ASN 55 3HB ASN 55 21.435 24.227 -7.069 425 1HD2 ASN 55 2HD2 ASN 55 23.774 21.814 -4.826 426 2HD2 ASN 55 1HD2 ASN 55 23.303 21.508 -6.465 427 1H5* G 201 1H5* G 201 -1.185 -18.129 -4.488 428 2H5* G 201 2H5* G 201 0.276 -17.145 -4.556 429 H4* G 201 H4* G 201 -0.106 -19.115 -2.779 430 H3* G 201 H3* G 201 2.592 -18.445 -4.018 431 1H2* G 201 1H2* G 201 3.459 -19.562 -2.124 432 2HO* G 201 2HO* G 201 2.291 -19.334 -0.286 433 H1* G 201 H1* G 201 1.541 -21.600 -2.154 434 H8 G 201 H8 G 201 3.411 -19.979 -5.099 435 H1 G 201 H1 G 201 5.085 -26.077 -3.721 436 1H2 G 201 1H2 G 201 3.981 -26.747 -2.113 437 2H2 G 201 2H2 G 201 2.781 -25.798 -1.265 438 1H5* G 202 1H5* G 202 2.533 -17.079 -0.424 439 2H5* G 202 2H5* G 202 3.423 -15.689 0.197 440 H4* G 202 H4* G 202 4.330 -17.586 1.259 441 H3* G 202 H3* G 202 6.114 -16.547 -0.933 442 1H2* G 202 1H2* G 202 7.732 -18.161 -0.392 443 2HO* G 202 2HO* G 202 7.543 -19.179 1.703 444 H1* G 202 H1* G 202 5.888 -20.253 0.008 445 H8 G 202 H8 G 202 5.615 -17.774 -2.894 446 H1 G 202 H1 G 202 8.347 -23.457 -4.352 447 1H2 G 202 1H2 G 202 8.541 -24.588 -2.638 448 2H2 G 202 2H2 G 202 8.038 -24.073 -1.045 449 1H5* A 203 1H5* A 203 8.770 -16.671 2.500 450 2H5* A 203 2H5* A 203 9.637 -15.136 2.484 451 H4* A 203 H4* A 203 11.239 -16.900 2.499 452 H3* A 203 H3* A 203 11.035 -15.340 -0.039 453 1H2* A 203 1H2* A 203 12.625 -16.686 -1.124 454 2HO* A 203 2HO* A 203 13.890 -18.131 0.283 455 H1* A 203 H1* A 203 11.605 -19.114 -0.042 456 H8 A 203 H8 A 203 9.342 -16.445 -1.565 457 1H6 A 203 1H6 A 203 9.419 -19.979 -6.709 458 2H6 A 203 2H6 A 203 8.724 -18.548 -5.982 459 H2 A 203 H2 A 203 12.196 -21.780 -3.743 460 1H5* C 204 1H5* C 204 14.852 -15.818 0.968 461 2H5* C 204 2H5* C 204 16.057 -14.578 0.625 462 H4* C 204 H4* C 204 16.639 -16.514 -0.622 463 H3* C 204 H3* C 204 15.405 -14.396 -2.405 464 1H2* C 204 1H2* C 204 16.077 -15.677 -4.237 465 2HO* C 204 2HO* C 204 18.169 -16.141 -3.794 466 H1* C 204 H1* C 204 15.610 -18.191 -3.059 467 1H4 C 204 1H4 C 204 10.300 -17.329 -6.455 468 2H4 C 204 2H4 C 204 9.844 -15.973 -5.447 469 H5 C 204 H5 C 204 11.182 -15.129 -3.694 470 H6 C 204 H6 C 204 13.308 -15.379 -2.463 471 1H5* U 205 1H5* U 205 19.450 -14.698 -2.729 472 2H5* U 205 2H5* U 205 20.613 -13.494 -3.285 473 H4* U 205 H4* U 205 20.631 -15.116 -4.952 474 H3* U 205 H3* U 205 18.757 -12.904 -5.837 475 1H2* U 205 1H2* U 205 18.762 -13.911 -7.973 476 2HO* U 205 2HO* U 205 20.698 -15.799 -7.078 477 H1* U 205 H1* U 205 18.584 -16.539 -6.939 478 H3 U 205 H3 U 205 14.514 -16.320 -8.826 479 H5 U 205 H5 U 205 14.318 -13.386 -5.845 480 H6 U 205 H6 U 205 16.691 -13.819 -5.401 481 1H5* A 206 1H5* A 206 20.770 -12.972 -8.396 482 2H5* A 206 2H5* A 206 21.954 -11.834 -9.037 483 H4* A 206 H4* A 206 20.613 -12.172 -10.865 484 H3* A 206 H3* A 206 19.411 -9.794 -9.424 485 1H2* A 206 1H2* A 206 17.835 -9.671 -11.084 486 2HO* A 206 2HO* A 206 18.629 -9.819 -13.182 487 H1* A 206 H1* A 206 18.086 -12.372 -12.066 488 H8 A 206 H8 A 206 17.269 -11.606 -8.431 489 1H6 A 206 1H6 A 206 11.311 -12.548 -10.032 490 2H6 A 206 2H6 A 206 12.386 -12.243 -8.685 491 H2 A 206 H2 A 206 13.784 -12.712 -13.719 492 1H5* G 207 1H5* G 207 20.525 -8.419 -12.891 493 2H5* G 207 2H5* G 207 20.625 -6.678 -13.156 494 H4* G 207 H4* G 207 18.547 -7.613 -14.030 495 H3* G 207 H3* G 207 18.001 -5.864 -11.600 496 1H2* G 207 1H2* G 207 15.864 -5.734 -12.482 497 2HO* G 207 2HO* G 207 16.055 -6.387 -15.018 498 H1* G 207 H1* G 207 16.015 -8.220 -13.934 499 H8 G 207 H8 G 207 16.739 -7.990 -10.205 500 H1 G 207 H1 G 207 10.683 -9.708 -11.708 501 1H2 G 207 1H2 G 207 10.414 -9.571 -13.748 502 2H2 G 207 2H2 G 207 11.647 -9.066 -14.882 503 1H5* C 208 1H5* C 208 18.695 -1.878 -14.228 504 2H5* C 208 2H5* C 208 18.113 -0.766 -12.988 505 H4* C 208 H4* C 208 16.675 -1.840 -15.136 506 H3* C 208 H3* C 208 16.008 -0.113 -12.787 507 1H2* C 208 1H2* C 208 13.862 -0.860 -12.756 508 2HO* C 208 2HO* C 208 13.281 -0.987 -15.380 509 H1* C 208 H1* C 208 13.958 -2.867 -14.851 510 1H4 C 208 1H4 C 208 12.069 -6.152 -9.726 511 2H4 C 208 2H4 C 208 13.643 -5.937 -8.996 512 H5 C 208 H5 C 208 15.370 -4.638 -9.950 513 H6 C 208 H6 C 208 16.018 -3.213 -11.860 514 1H5* G 209 1H5* G 209 14.340 3.899 -12.740 515 2H5* G 209 2H5* G 209 14.867 2.279 -12.286 516 H4* G 209 H4* G 209 12.894 1.996 -14.316 517 H3* G 209 H3* G 209 12.227 4.149 -12.348 518 1H2* G 209 1H2* G 209 10.554 2.840 -11.515 519 2HO* G 209 2HO* G 209 8.837 2.851 -13.010 520 H1* G 209 H1* G 209 10.407 0.613 -13.300 521 H8 G 209 H8 G 209 13.494 1.334 -11.179 522 H1 G 209 H1 G 209 9.384 -2.989 -8.667 523 1H2 G 209 1H2 G 209 7.697 -3.103 -9.849 524 2H2 G 209 2H2 G 209 7.436 -2.167 -11.303 525 1H5* G 210 1H5* G 210 10.699 7.065 -11.943 526 2H5* G 210 2H5* G 210 10.892 5.448 -11.266 527 H4* G 210 H4* G 210 8.839 5.439 -10.355 528 H3* G 210 H3* G 210 7.925 6.377 -12.984 529 1H2* G 210 1H2* G 210 7.012 8.275 -12.029 530 2HO* G 210 2HO* G 210 5.255 6.641 -10.584 531 H1* G 210 H1* G 210 6.611 7.487 -9.270 532 H8 G 210 H8 G 210 9.697 8.634 -11.257 533 H1 G 210 H1 G 210 7.616 12.722 -6.693 534 1H2 G 210 1H2 G 210 5.949 11.934 -5.771 535 2H2 G 210 2H2 G 210 5.222 10.395 -6.174 536 1H5* A 211 1H5* A 211 7.990 3.044 -11.113 537 2H5* A 211 2H5* A 211 7.650 1.340 -11.414 538 H4* A 211 H4* A 211 6.588 1.680 -9.407 539 H3* A 211 H3* A 211 4.628 1.942 -11.638 540 1H2* A 211 1H2* A 211 3.666 3.560 -10.206 541 2HO* A 211 2HO* A 211 2.291 1.756 -10.467 542 H1* A 211 H1* A 211 4.593 1.852 -7.841 543 H8 A 211 H8 A 211 4.951 5.535 -8.858 544 1H6 A 211 1H6 A 211 2.234 6.791 -3.382 545 2H6 A 211 2H6 A 211 2.959 7.510 -4.802 546 H2 A 211 H2 A 211 2.393 2.378 -3.874 547 1H5* G 212 1H5* G 212 2.497 -2.047 -8.814 548 2H5* G 212 2H5* G 212 3.715 -0.778 -8.690 549 H4* G 212 H4* G 212 4.386 -3.725 -8.768 550 H3* G 212 H3* G 212 3.490 -2.081 -6.466 551 1H2* G 212 1H2* G 212 5.275 -2.749 -5.076 552 2HO* G 212 2HO* G 212 5.104 -4.930 -5.911 553 H1* G 212 H1* G 212 7.226 -2.418 -7.104 554 H8 G 212 H8 G 212 4.370 -0.273 -5.689 555 H1 G 212 H1 G 212 10.309 2.233 -5.105 556 1H2 G 212 1H2 G 212 11.679 0.970 -5.988 557 2H2 G 212 2H2 G 212 11.278 -0.543 -6.770 558 1H5* G 213 1H5* G 213 2.596 -6.579 -8.643 559 2H5* G 213 2H5* G 213 4.017 -5.568 -8.901 560 H4* G 213 H4* G 213 1.864 -5.924 -10.988 561 H3* G 213 H3* G 213 3.870 -7.879 -10.214 562 1H2* G 213 1H2* G 213 5.200 -7.851 -12.111 563 2HO* G 213 2HO* G 213 2.944 -6.513 -13.305 564 H1* G 213 H1* G 213 4.977 -5.118 -12.735 565 H8 G 213 H8 G 213 5.596 -6.668 -9.272 566 H1 G 213 H1 G 213 10.728 -3.867 -12.048 567 1H2 G 213 1H2 G 213 10.202 -3.161 -13.913 568 2H2 G 213 2H2 G 213 8.608 -3.305 -14.620 569 1H5* C 214 1H5* C 214 2.209 -9.028 -13.721 570 2H5* C 214 2H5* C 214 1.786 -10.701 -14.084 571 H4* C 214 H4* C 214 3.420 -10.133 -15.656 572 H3* C 214 H3* C 214 4.651 -11.720 -13.403 573 1H2* C 214 1H2* C 214 6.674 -11.797 -14.621 574 2HO* C 214 2HO* C 214 5.583 -10.398 -16.810 575 H1* C 214 H1* C 214 6.645 -9.104 -15.332 576 1H4 C 214 1H4 C 214 10.002 -8.901 -9.935 577 2H4 C 214 2H4 C 214 8.619 -9.455 -9.018 578 H5 C 214 H5 C 214 6.545 -10.033 -9.985 579 H6 C 214 H6 C 214 5.272 -10.224 -12.093 580 1H5* U 215 1H5* U 215 5.145 -13.422 -16.762 581 2H5* U 215 2H5* U 215 5.136 -15.133 -17.185 582 H4* U 215 H4* U 215 7.323 -14.281 -17.591 583 H3* U 215 H3* U 215 7.194 -16.020 -15.121 584 1H2* U 215 1H2* U 215 9.438 -15.688 -14.811 585 2HO* U 215 2HO* U 215 9.459 -15.384 -17.677 586 H1* U 215 H1* U 215 9.739 -13.323 -16.433 587 H3 U 215 H3 U 215 11.515 -11.742 -12.615 588 H5 U 215 H5 U 215 7.553 -12.570 -11.541 589 H6 U 215 H6 U 215 7.254 -13.536 -13.775 590 1H5* A 216 1H5* A 216 9.317 -17.697 -17.912 591 2H5* A 216 2H5* A 216 9.589 -19.404 -18.264 592 H4* A 216 H4* A 216 11.605 -18.466 -17.379 593 H3* A 216 H3* A 216 10.185 -20.335 -15.480 594 1H2* A 216 1H2* A 216 11.861 -20.032 -13.928 595 2HO* A 216 2HO* A 216 13.917 -20.093 -14.745 596 H1* A 216 H1* A 216 12.644 -17.416 -14.992 597 H8 A 216 H8 A 216 9.221 -18.067 -13.504 598 1H6 A 216 1H6 A 216 11.506 -15.626 -8.233 599 2H6 A 216 2H6 A 216 10.053 -16.219 -9.008 600 H2 A 216 H2 A 216 14.840 -16.018 -11.144 601 1H5* G 217 1H5* G 217 13.700 -21.902 -16.263 602 2H5* G 217 2H5* G 217 14.060 -23.612 -16.017 603 H4* G 217 H4* G 217 15.027 -22.482 -14.198 604 H3* G 217 H3* G 217 12.359 -23.560 -13.211 605 1H2* G 217 1H2* G 217 13.282 -23.283 -11.075 606 2HO* G 217 2HO* G 217 15.344 -23.956 -10.988 607 H1* G 217 H1* G 217 14.804 -20.967 -11.893 608 H8 G 217 H8 G 217 11.047 -21.249 -12.427 609 H1 G 217 H1 G 217 12.810 -18.084 -7.063 610 1H2 G 217 1H2 G 217 14.854 -18.218 -6.826 611 2H2 G 217 2H2 G 217 15.930 -19.061 -7.917 612 1H5* U 218 1H5* U 218 15.347 -26.029 -12.049 613 2H5* U 218 2H5* U 218 15.120 -27.723 -11.615 614 H4* U 218 H4* U 218 15.746 -26.636 -9.631 615 H3* U 218 H3* U 218 12.737 -27.007 -9.646 616 1H2* U 218 1H2* U 218 12.748 -26.360 -7.399 617 2HO* U 218 2HO* U 218 14.447 -27.114 -6.249 618 H1* U 218 H1* U 218 14.901 -24.489 -7.754 619 H3 U 218 H3 U 218 11.717 -21.674 -6.263 620 H5 U 218 H5 U 218 10.193 -22.980 -9.938 621 H6 U 218 H6 U 218 12.091 -24.527 -10.064 622 1H5* C 219 1H5* C 219 14.212 -29.051 -6.815 623 2H5* C 219 2H5* C 219 13.726 -30.664 -6.296 624 H4* C 219 H4* C 219 13.220 -29.408 -4.442 625 H3* C 219 H3* C 219 10.689 -29.428 -6.110 626 1H2* C 219 1H2* C 219 9.599 -28.432 -4.287 627 2HO* C 219 2HO* C 219 10.359 -29.754 -2.667 628 H1* C 219 H1* C 219 11.721 -26.732 -3.580 629 1H4 C 219 1H4 C 219 8.125 -22.890 -7.155 630 2H4 C 219 2H4 C 219 8.430 -23.875 -8.568 631 H5 C 219 H5 C 219 9.686 -25.875 -8.533 632 H6 C 219 H6 C 219 10.973 -27.437 -7.118 633 1H5* C 220 1H5* C 220 10.418 -31.899 -2.943 634 2H5* C 220 2H5* C 220 9.641 -33.474 -2.787 635 H4* C 220 H4* C 220 8.620 -31.647 -1.422 636 H3* C 220 H3* C 220 7.158 -33.502 -3.142 637 1H2* C 220 1H2* C 220 5.844 -31.764 -3.955 638 2HO* C 220 2HO* C 220 5.079 -32.033 -1.189 639 H1* C 220 H1* C 220 5.939 -29.916 -1.678 640 1H4 C 220 1H4 C 220 6.784 -25.775 -6.420 641 2H4 C 220 2H4 C 220 7.790 -26.910 -7.290 642 H5 C 220 H5 C 220 8.316 -29.074 -6.504 643 H6 C 220 H6 C 220 8.002 -30.698 -4.670 No H/Q in entry = 643 Start of MODEL 20 1 H MET 1 HN MET 1 4.812 -15.399 4.673 2 HA MET 1 HA MET 1 5.078 -13.119 6.462 3 1HB MET 1 2HB MET 1 6.920 -13.994 4.179 4 2HB MET 1 3HB MET 1 6.914 -12.342 4.761 5 1HG MET 1 2HG MET 1 7.914 -12.897 6.787 6 2HG MET 1 3HG MET 1 7.148 -14.470 6.863 7 1HE MET 1 2HE MET 1 8.361 -16.009 7.235 8 2HE MET 1 3HE MET 1 9.166 -16.879 5.908 9 3HE MET 1 1HE MET 1 10.137 -16.003 7.116 10 H GLN 2 HN GLN 2 4.764 -14.236 3.022 11 HA GLN 2 HA GLN 2 3.387 -13.609 1.449 12 1HB GLN 2 2HB GLN 2 1.776 -13.163 3.485 13 2HB GLN 2 3HB GLN 2 2.099 -11.471 3.165 14 1HG GLN 2 2HG GLN 2 0.886 -11.466 1.210 15 2HG GLN 2 3HG GLN 2 1.451 -13.055 0.732 16 1HE2 GLN 2 2HE2 GLN 2 -1.777 -14.226 1.300 17 2HE2 GLN 2 1HE2 GLN 2 -0.502 -13.874 0.181 18 H LYS 3 HN LYS 3 3.187 -11.871 -0.194 19 HA LYS 3 HA LYS 3 3.921 -10.120 -1.325 20 1HB LYS 3 2HB LYS 3 4.056 -9.115 1.465 21 2HB LYS 3 3HB LYS 3 5.008 -8.230 0.289 22 1HG LYS 3 2HG LYS 3 3.050 -7.858 -1.128 23 2HG LYS 3 3HG LYS 3 2.074 -8.941 -0.156 24 1HD LYS 3 2HD LYS 3 1.443 -7.137 1.069 25 2HD LYS 3 3HD LYS 3 3.071 -7.087 1.715 26 1HE LYS 3 2HE LYS 3 3.489 -5.141 0.628 27 2HE LYS 3 3HE LYS 3 3.113 -5.881 -0.915 28 1HZ LYS 3 1HZ LYS 3 0.730 -5.447 -0.433 29 2HZ LYS 3 2HZ LYS 3 1.132 -4.680 0.945 30 H GLY 4 HN GLY 4 5.467 -12.225 -1.602 31 1HA GLY 4 1HA GLY 4 8.099 -12.106 -0.661 32 2HA GLY 4 2HA GLY 4 7.539 -12.939 -2.097 33 H ASN 5 HN ASN 5 6.415 -10.384 -3.295 34 HA ASN 5 HA ASN 5 8.577 -9.730 -4.833 35 1HB ASN 5 2HB ASN 5 5.894 -9.162 -4.896 36 2HB ASN 5 3HB ASN 5 6.499 -7.600 -4.383 37 1HD2 ASN 5 2HD2 ASN 5 7.925 -6.668 -7.422 38 2HD2 ASN 5 1HD2 ASN 5 7.679 -6.337 -5.739 39 H PHE 6 HN PHE 6 7.677 -8.753 -1.601 40 HA PHE 6 HA PHE 6 8.712 -6.179 -1.493 41 1HB PHE 6 2HB PHE 6 7.323 -7.223 0.275 42 2HB PHE 6 3HB PHE 6 8.486 -8.516 0.487 43 HD1 PHE 6 HD2 PHE 6 7.912 -4.909 1.033 44 HD2 PHE 6 HD1 PHE 6 10.348 -8.264 1.938 45 HE1 PHE 6 HE2 PHE 6 9.030 -3.603 2.862 46 HE2 PHE 6 HE1 PHE 6 11.465 -6.957 3.768 47 HZ PHE 6 HZ PHE 6 10.792 -4.643 4.208 48 H ARG 7 HN ARG 7 10.322 -9.188 -2.010 49 HA ARG 7 HA ARG 7 12.652 -8.768 -0.611 50 1HB ARG 7 2HB ARG 7 13.656 -10.380 -2.261 51 2HB ARG 7 3HB ARG 7 12.114 -10.934 -1.641 52 1HG ARG 7 2HG ARG 7 11.009 -9.910 -3.706 53 2HG ARG 7 3HG ARG 7 12.612 -9.587 -4.335 54 1HD ARG 7 2HD ARG 7 13.161 -12.003 -4.281 55 2HD ARG 7 3HD ARG 7 11.617 -12.365 -3.535 56 HE ARG 7 HE ARG 7 12.074 -11.617 -6.359 57 1HH1 ARG 7 2HH2 ARG 7 9.701 -12.175 -3.787 58 2HH1 ARG 7 1HH2 ARG 7 8.380 -12.396 -4.885 59 HH2 ARG 7 HH1 ARG 7 8.773 -12.234 -7.243 60 H ASN 8 HN ASN 8 11.305 -6.966 -3.184 61 HA ASN 8 HA ASN 8 13.435 -6.391 -4.782 62 1HB ASN 8 2HB ASN 8 12.233 -4.220 -5.237 63 2HB ASN 8 3HB ASN 8 11.152 -5.599 -5.274 64 1HD2 ASN 8 2HD2 ASN 8 10.099 -2.554 -3.087 65 2HD2 ASN 8 1HD2 ASN 8 11.013 -2.608 -4.557 66 H GLN 9 HN GLN 9 12.766 -5.543 -1.436 67 HA GLN 9 HA GLN 9 14.160 -3.165 -1.254 68 1HB GLN 9 2HB GLN 9 13.570 -5.354 0.774 69 2HB GLN 9 3HB GLN 9 14.384 -3.868 1.221 70 1HG GLN 9 2HG GLN 9 11.963 -3.371 -0.394 71 2HG GLN 9 3HG GLN 9 11.607 -4.255 1.076 72 1HE2 GLN 9 2HE2 GLN 9 11.431 -1.273 2.827 73 2HE2 GLN 9 1HE2 GLN 9 10.700 -2.757 2.316 74 H ARG 10 HN ARG 10 15.288 -6.284 -2.044 75 HA ARG 10 HA ARG 10 17.735 -6.208 -0.684 76 1HB ARG 10 2HB ARG 10 18.340 -8.114 -2.103 77 2HB ARG 10 3HB ARG 10 16.665 -8.292 -1.620 78 1HG ARG 10 2HG ARG 10 15.969 -8.251 -3.780 79 2HG ARG 10 3HG ARG 10 16.784 -6.726 -4.066 80 1HD ARG 10 2HD ARG 10 18.198 -9.436 -4.099 81 2HD ARG 10 3HD ARG 10 17.595 -8.634 -5.537 82 HE ARG 10 HE ARG 10 19.246 -6.892 -5.251 83 1HH1 ARG 10 2HH2 ARG 10 19.522 -9.467 -2.834 84 2HH1 ARG 10 1HH2 ARG 10 21.134 -9.033 -2.373 85 HH2 ARG 10 HH1 ARG 10 22.202 -7.177 -3.451 86 H LYS 11 HN LYS 11 16.523 -4.215 -3.087 87 HA LYS 11 HA LYS 11 19.226 -3.672 -4.092 88 1HB LYS 11 2HB LYS 11 18.075 -4.756 -5.889 89 2HB LYS 11 3HB LYS 11 16.636 -3.787 -5.651 90 1HG LYS 11 2HG LYS 11 17.489 -2.007 -6.814 91 2HG LYS 11 3HG LYS 11 19.064 -2.143 -6.058 92 1HD LYS 11 2HD LYS 11 19.806 -3.800 -7.616 93 2HD LYS 11 3HD LYS 11 18.174 -4.179 -8.132 94 1HE LYS 11 2HE LYS 11 18.144 -2.489 -9.672 95 2HE LYS 11 3HE LYS 11 18.840 -1.333 -8.553 96 1HZ LYS 11 1HZ LYS 11 20.801 -1.616 -9.580 97 2HZ LYS 11 2HZ LYS 11 20.828 -3.204 -9.222 98 H THR 12 HN THR 12 18.164 -2.547 -1.733 99 HA THR 12 HA THR 12 17.354 -0.630 -0.827 100 HB THR 12 HB THR 12 19.892 -0.473 -1.573 101 HG1 THR 12 HG1 THR 12 19.212 0.905 0.079 102 1HG2 THR 12 3HG2 THR 12 18.875 0.505 -3.922 103 2HG2 THR 12 1HG2 THR 12 18.982 2.014 -2.984 104 3HG2 THR 12 2HG2 THR 12 20.440 1.031 -3.258 105 H VAL 13 HN VAL 13 15.424 -1.409 -2.591 106 HA VAL 13 HA VAL 13 14.731 0.077 -4.696 107 HB VAL 13 HB VAL 13 12.359 -0.154 -3.844 108 1HG1 VAL 13 3HG1 VAL 13 14.330 -2.262 -4.424 109 2HG1 VAL 13 1HG1 VAL 13 12.873 -2.841 -3.582 110 3HG1 VAL 13 2HG1 VAL 13 12.722 -1.968 -5.125 111 1HG2 VAL 13 1HG2 VAL 13 13.872 -1.148 -1.437 112 2HG2 VAL 13 2HG2 VAL 13 12.458 -0.071 -1.521 113 3HG2 VAL 13 3HG2 VAL 13 12.269 -1.813 -1.832 114 H LYS 14 HN LYS 14 13.437 2.033 -5.046 115 HA LYS 14 HA LYS 14 14.027 4.023 -2.972 116 1HB LYS 14 2HB LYS 14 14.141 5.662 -4.704 117 2HB LYS 14 3HB LYS 14 15.145 4.309 -5.185 118 1HG LYS 14 2HG LYS 14 13.688 3.639 -6.886 119 2HG LYS 14 3HG LYS 14 12.268 4.259 -6.069 120 1HD LYS 14 2HD LYS 14 12.476 5.876 -7.722 121 2HD LYS 14 3HD LYS 14 13.459 6.625 -6.478 122 1HE LYS 14 2HE LYS 14 14.706 6.694 -8.572 123 2HE LYS 14 3HE LYS 14 15.509 5.565 -7.499 124 1HZ LYS 14 1HZ LYS 14 14.537 5.013 -10.032 125 2HZ LYS 14 2HZ LYS 14 15.141 3.929 -8.976 126 H CYS 15 HN CYS 15 12.387 5.317 -2.141 127 HA CYS 15 HA CYS 15 9.767 4.245 -2.442 128 1HB CYS 15 2HB CYS 15 10.611 5.040 -0.265 129 2HB CYS 15 3HB CYS 15 10.732 6.671 -0.891 130 H PHE 16 HN PHE 16 8.510 4.757 -4.202 131 HA PHE 16 HA PHE 16 9.115 7.052 -5.779 132 1HB PHE 16 2HB PHE 16 7.035 4.813 -5.683 133 2HB PHE 16 3HB PHE 16 6.816 6.133 -6.815 134 HD1 PHE 16 HD1 PHE 16 9.598 6.622 -7.690 135 HD2 PHE 16 HD2 PHE 16 7.535 2.975 -7.016 136 HE1 PHE 16 HE1 PHE 16 11.106 5.466 -9.331 137 HE2 PHE 16 HE2 PHE 16 9.043 1.820 -8.657 138 HZ PHE 16 HZ PHE 16 10.809 3.078 -9.795 139 H ASN 17 HN ASN 17 7.816 6.990 -2.807 140 HA ASN 17 HA ASN 17 5.572 8.705 -3.453 141 1HB ASN 17 2HB ASN 17 5.547 6.728 -1.699 142 2HB ASN 17 3HB ASN 17 6.412 7.839 -0.653 143 1HD2 ASN 17 2HD2 ASN 17 3.221 8.718 0.516 144 2HD2 ASN 17 1HD2 ASN 17 4.669 7.806 0.787 145 H CYS 18 HN CYS 18 8.387 8.513 -1.133 146 HA CYS 18 HA CYS 18 8.339 11.406 -0.913 147 1HB CYS 18 2HB CYS 18 9.985 11.053 0.918 148 2HB CYS 18 3HB CYS 18 8.458 10.236 1.189 149 H GLY 19 HN GLY 19 10.405 8.621 -1.925 150 1HA GLY 19 1HA GLY 19 11.760 8.819 -3.868 151 2HA GLY 19 2HA GLY 19 12.031 10.512 -3.501 152 H LYS 20 HN LYS 20 12.059 8.044 -0.932 153 HA LYS 20 HA LYS 20 14.960 8.457 -0.724 154 1HB LYS 20 2HB LYS 20 12.798 8.684 1.208 155 2HB LYS 20 3HB LYS 20 14.000 7.523 1.740 156 1HG LYS 20 2HG LYS 20 15.695 9.448 0.891 157 2HG LYS 20 3HG LYS 20 14.309 10.473 1.207 158 1HD LYS 20 2HD LYS 20 14.718 10.396 3.434 159 2HD LYS 20 3HD LYS 20 14.568 8.650 3.428 160 1HE LYS 20 2HE LYS 20 16.926 8.356 2.920 161 2HE LYS 20 3HE LYS 20 17.130 10.061 2.564 162 1HZ LYS 20 1HZ LYS 20 16.842 10.598 4.854 163 2HZ LYS 20 2HZ LYS 20 16.296 9.115 5.249 164 H GLU 21 HN GLU 21 16.315 6.668 -0.510 165 HA GLU 21 HA GLU 21 15.102 4.225 -1.383 166 1HB GLU 21 2HB GLU 21 17.906 5.284 -1.113 167 2HB GLU 21 3HB GLU 21 17.693 3.544 -1.138 168 1HG GLU 21 2HG GLU 21 17.264 3.536 -3.371 169 2HG GLU 21 3HG GLU 21 16.058 4.798 -3.217 170 HE1 GLU 21 HE2 GLU 21 19.552 4.696 -2.802 171 H GLY 22 HN GLY 22 15.052 2.245 -0.220 172 1HA GLY 22 1HA GLY 22 16.017 1.077 1.752 173 2HA GLY 22 2HA GLY 22 15.636 2.521 2.668 174 H HIS 23 HN HIS 23 13.157 2.620 0.582 175 HA HIS 23 HA HIS 23 11.574 0.433 1.422 176 1HB HIS 23 2HB HIS 23 10.095 1.433 2.936 177 2HB HIS 23 3HB HIS 23 11.692 1.874 3.506 178 HD1 HIS 23 HD1 HIS 23 12.354 4.380 3.447 179 HD2 HIS 23 HD2 HIS 23 8.549 3.587 1.871 180 HE1 HIS 23 HE1 HIS 23 11.203 6.642 3.186 181 H ILE 24 HN ILE 24 9.382 0.537 0.440 182 HA ILE 24 HA ILE 24 9.433 2.347 -1.867 183 HB ILE 24 HB ILE 24 8.139 0.721 -3.034 184 1HG1 ILE 24 2HG1 ILE 24 8.092 -0.944 -0.500 185 2HG1 ILE 24 3HG1 ILE 24 6.744 0.003 -1.098 186 1HG2 ILE 24 2HG2 ILE 24 10.742 0.417 -2.414 187 2HG2 ILE 24 3HG2 ILE 24 10.100 -1.121 -1.788 188 3HG2 ILE 24 1HG2 ILE 24 9.850 -0.680 -3.494 189 1HD1 ILE 24 2HD1 ILE 24 6.898 -1.299 -3.286 190 2HD1 ILE 24 3HD1 ILE 24 8.093 -2.351 -2.490 191 3HD1 ILE 24 1HD1 ILE 24 6.427 -2.270 -1.871 192 H ALA 25 HN ALA 25 7.263 3.137 -2.626 193 HA ALA 25 HA ALA 25 5.996 4.589 -0.703 194 1HB ALA 25 2HB ALA 25 5.899 4.626 -3.317 195 2HB ALA 25 3HB ALA 25 4.511 3.532 -3.113 196 3HB ALA 25 1HB ALA 25 4.474 5.159 -2.393 197 H LYS 26 HN LYS 26 5.414 1.211 -1.730 198 HA LYS 26 HA LYS 26 2.944 0.877 -0.483 199 1HB LYS 26 2HB LYS 26 5.091 -1.217 -0.922 200 2HB LYS 26 3HB LYS 26 3.373 -1.496 -0.713 201 1HG LYS 26 2HG LYS 26 4.159 0.401 -2.904 202 2HG LYS 26 3HG LYS 26 4.554 -1.288 -3.157 203 1HD LYS 26 2HD LYS 26 1.853 -1.096 -2.099 204 2HD LYS 26 3HD LYS 26 2.006 -0.014 -3.469 205 1HE LYS 26 2HE LYS 26 2.873 -1.864 -4.875 206 2HE LYS 26 3HE LYS 26 2.835 -2.956 -3.506 207 1HZ LYS 26 1HZ LYS 26 0.457 -2.812 -3.443 208 2HZ LYS 26 2HZ LYS 26 0.403 -1.584 -4.511 209 H ASN 27 HN ASN 27 6.325 0.415 0.716 210 HA ASN 27 HA ASN 27 5.243 -0.148 3.326 211 1HB ASN 27 2HB ASN 27 8.065 -0.155 2.153 212 2HB ASN 27 3HB ASN 27 7.786 -0.365 3.870 213 1HD2 ASN 27 2HD2 ASN 27 6.521 -3.236 1.151 214 2HD2 ASN 27 1HD2 ASN 27 6.695 -1.571 0.707 215 H CYS 28 HN CYS 28 5.368 2.581 1.704 216 HA CYS 28 HA CYS 28 7.085 4.159 3.388 217 1HB CYS 28 2HB CYS 28 6.910 4.665 0.986 218 2HB CYS 28 3HB CYS 28 5.195 4.983 1.159 219 H ARG 29 HN ARG 29 6.374 5.467 5.103 220 HA ARG 29 HA ARG 29 3.817 4.835 6.118 221 1HB ARG 29 2HB ARG 29 6.101 5.434 7.355 222 2HB ARG 29 3HB ARG 29 5.542 7.088 7.196 223 1HG ARG 29 2HG ARG 29 3.607 6.700 8.536 224 2HG ARG 29 3HG ARG 29 3.692 4.962 8.324 225 1HD ARG 29 2HD ARG 29 5.065 4.721 10.126 226 2HD ARG 29 3HD ARG 29 6.164 5.956 9.541 227 HE ARG 29 HE ARG 29 3.926 6.342 11.420 228 1HH1 ARG 29 2HH2 ARG 29 6.269 7.917 9.279 229 2HH1 ARG 29 1HH2 ARG 29 6.147 9.452 10.070 230 HH2 ARG 29 HH1 ARG 29 4.669 9.695 11.941 231 H ALA 30 HN ALA 30 5.322 7.508 4.315 232 HA ALA 30 HA ALA 30 3.491 9.524 4.871 233 1HB ALA 30 2HB ALA 30 5.785 9.491 3.595 234 2HB ALA 30 3HB ALA 30 4.777 9.170 2.163 235 3HB ALA 30 1HB ALA 30 4.531 10.658 3.109 236 HA PRO 31 HA PRO 31 -0.038 8.332 2.676 237 1HB PRO 31 2HB PRO 31 -1.172 10.740 2.056 238 2HB PRO 31 3HB PRO 31 -1.302 9.999 3.638 239 1HG PRO 31 2HG PRO 31 0.376 12.280 2.792 240 2HG PRO 31 3HG PRO 31 -0.089 11.802 4.412 241 1HD PRO 31 2HD PRO 31 2.460 11.387 3.166 242 2HD PRO 31 3HD PRO 31 1.957 10.806 4.741 243 H ARG 32 HN ARG 32 -1.111 8.036 0.652 244 HA ARG 32 HA ARG 32 0.683 7.881 -1.391 245 1HB ARG 32 2HB ARG 32 -1.980 7.148 -0.961 246 2HB ARG 32 3HB ARG 32 -2.124 8.305 -2.270 247 1HG ARG 32 2HG ARG 32 -1.754 6.333 -3.472 248 2HG ARG 32 3HG ARG 32 -0.119 6.950 -3.347 249 1HD ARG 32 2HD ARG 32 -1.092 5.178 -1.112 250 2HD ARG 32 3HD ARG 32 -0.756 4.413 -2.652 251 HE ARG 32 HE ARG 32 1.557 5.102 -2.484 252 1HH1 ARG 32 2HH2 ARG 32 -0.361 5.968 0.366 253 2HH1 ARG 32 1HH2 ARG 32 1.024 6.219 1.375 254 HH2 ARG 32 HH1 ARG 32 3.217 5.900 0.461 255 H LYS 33 HN LYS 33 1.815 9.701 -2.095 256 HA LYS 33 HA LYS 33 0.156 11.950 -2.998 257 1HB LYS 33 2HB LYS 33 1.832 13.502 -2.260 258 2HB LYS 33 3HB LYS 33 1.371 12.492 -0.905 259 1HG LYS 33 2HG LYS 33 3.395 11.245 -0.972 260 2HG LYS 33 3HG LYS 33 3.734 11.695 -2.631 261 1HD LYS 33 2HD LYS 33 4.892 13.533 -1.970 262 2HD LYS 33 3HD LYS 33 3.546 14.101 -1.003 263 1HE LYS 33 2HE LYS 33 4.501 13.379 0.937 264 2HE LYS 33 3HE LYS 33 4.856 11.799 0.267 265 1HZ LYS 33 1HZ LYS 33 6.502 14.245 -0.080 266 2HZ LYS 33 2HZ LYS 33 6.920 12.905 0.746 267 H LYS 34 HN LYS 34 1.781 13.397 -4.513 268 HA LYS 34 HA LYS 34 3.366 11.619 -6.169 269 1HB LYS 34 2HB LYS 34 0.827 12.967 -7.087 270 2HB LYS 34 3HB LYS 34 2.115 12.594 -8.213 271 1HG LYS 34 2HG LYS 34 2.045 10.180 -7.249 272 2HG LYS 34 3HG LYS 34 0.537 10.645 -6.486 273 1HD LYS 34 2HD LYS 34 -0.613 10.808 -8.510 274 2HD LYS 34 3HD LYS 34 0.818 11.259 -9.415 275 1HE LYS 34 2HE LYS 34 1.254 8.605 -8.374 276 2HE LYS 34 3HE LYS 34 -0.342 8.632 -9.096 277 1HZ LYS 34 1HZ LYS 34 0.960 9.871 -11.009 278 2HZ LYS 34 2HZ LYS 34 2.245 9.081 -10.395 279 H GLY 35 HN GLY 35 4.488 13.384 -4.489 280 1HA GLY 35 1HA GLY 35 4.824 15.928 -5.904 281 2HA GLY 35 2HA GLY 35 5.358 15.535 -4.282 282 H CYS 36 HN CYS 36 6.521 16.264 -7.263 283 HA CYS 36 HA CYS 36 8.371 14.260 -7.800 284 1HB CYS 36 2HB CYS 36 7.806 15.912 -9.472 285 2HB CYS 36 3HB CYS 36 8.395 17.220 -8.465 286 H TRP 37 HN TRP 37 10.113 13.618 -6.582 287 HA TRP 37 HA TRP 37 10.964 15.320 -4.402 288 1HB TRP 37 2HB TRP 37 12.535 12.947 -4.663 289 2HB TRP 37 3HB TRP 37 11.413 13.410 -3.398 290 HD1 TRP 37 HD1 TRP 37 8.773 12.566 -3.780 291 HE1 TRP 37 HE1 TRP 37 7.734 10.462 -4.989 292 HE3 TRP 37 HE3 TRP 37 12.890 11.469 -6.555 293 HZ2 TRP 37 HZ2 TRP 37 8.728 8.619 -6.927 294 HZ3 TRP 37 HZ3 TRP 37 12.772 9.501 -8.080 295 HH2 TRP 37 HH2 TRP 37 10.783 8.096 -8.292 296 H LYS 38 HN LYS 38 11.373 16.274 -7.158 297 HA LYS 38 HA LYS 38 14.307 16.316 -7.131 298 1HB LYS 38 2HB LYS 38 12.870 15.011 -9.051 299 2HB LYS 38 3HB LYS 38 12.995 16.605 -9.766 300 1HG LYS 38 2HG LYS 38 15.574 16.083 -8.702 301 2HG LYS 38 3HG LYS 38 15.070 14.565 -9.421 302 1HD LYS 38 2HD LYS 38 14.283 16.290 -11.397 303 2HD LYS 38 3HD LYS 38 15.628 17.199 -10.735 304 1HE LYS 38 2HE LYS 38 15.972 14.247 -11.343 305 2HE LYS 38 3HE LYS 38 16.058 15.415 -12.647 306 1HZ LYS 38 1HZ LYS 38 18.213 14.843 -11.385 307 2HZ LYS 38 2HZ LYS 38 17.936 16.416 -11.699 308 H CYS 39 HN CYS 39 11.235 17.928 -8.152 309 HA CYS 39 HA CYS 39 12.682 20.465 -7.962 310 1HB CYS 39 2HB CYS 39 10.757 21.386 -9.303 311 2HB CYS 39 3HB CYS 39 11.780 20.244 -10.152 312 H GLY 40 HN GLY 40 9.963 18.452 -6.841 313 1HA GLY 40 1HA GLY 40 9.053 18.629 -4.707 314 2HA GLY 40 2HA GLY 40 9.557 20.305 -4.610 315 H LYS 41 HN LYS 41 8.068 19.187 -7.610 316 HA LYS 41 HA LYS 41 5.764 20.865 -6.986 317 1HB LYS 41 2HB LYS 41 7.408 20.654 -9.227 318 2HB LYS 41 3HB LYS 41 5.946 19.818 -9.708 319 1HG LYS 41 2HG LYS 41 4.983 22.088 -8.357 320 2HG LYS 41 3HG LYS 41 6.382 22.695 -9.220 321 1HD LYS 41 2HD LYS 41 5.264 21.191 -11.205 322 2HD LYS 41 3HD LYS 41 3.814 21.581 -10.301 323 1HE LYS 41 2HE LYS 41 5.661 23.884 -10.745 324 2HE LYS 41 3HE LYS 41 4.949 23.225 -12.205 325 1HZ LYS 41 1HZ LYS 41 3.646 25.002 -10.862 326 2HZ LYS 41 2HZ LYS 41 2.813 23.740 -11.468 327 H GLU 42 HN GLU 42 3.764 20.038 -6.601 328 HA GLU 42 HA GLU 42 3.582 17.169 -6.613 329 1HB GLU 42 2HB GLU 42 1.517 17.511 -5.322 330 2HB GLU 42 3HB GLU 42 2.825 18.448 -4.629 331 1HG GLU 42 2HG GLU 42 1.684 20.182 -6.541 332 2HG GLU 42 3HG GLU 42 0.303 19.374 -5.827 333 HE2 GLU 42 HE2 GLU 42 -0.356 20.896 -4.146 334 H GLY 43 HN GLY 43 2.773 16.068 -8.341 335 1HA GLY 43 1HA GLY 43 0.483 16.124 -9.575 336 2HA GLY 43 2HA GLY 43 1.181 17.556 -10.306 337 H HIS 44 HN HIS 44 3.857 16.929 -10.676 338 HA HIS 44 HA HIS 44 3.618 14.740 -12.589 339 1HB HIS 44 2HB HIS 44 5.333 15.759 -13.835 340 2HB HIS 44 3HB HIS 44 4.265 17.058 -13.343 341 HD1 HIS 44 HD1 HIS 44 5.219 18.892 -11.810 342 HD2 HIS 44 HD2 HIS 44 7.889 15.733 -12.512 343 HE1 HIS 44 HE1 HIS 44 7.485 19.659 -10.920 344 H GLN 45 HN GLN 45 6.162 13.873 -12.950 345 HA GLN 45 HA GLN 45 7.137 13.248 -10.286 346 1HB GLN 45 2HB GLN 45 7.287 10.886 -10.764 347 2HB GLN 45 3HB GLN 45 5.645 11.387 -11.117 348 1HG GLN 45 2HG GLN 45 6.847 11.815 -13.564 349 2HG GLN 45 3HG GLN 45 7.786 10.458 -12.976 350 1HE2 GLN 45 2HE2 GLN 45 5.409 8.223 -14.112 351 2HE2 GLN 45 1HE2 GLN 45 7.057 8.751 -14.010 352 H MET 46 HN MET 46 9.423 12.387 -10.322 353 HA MET 46 HA MET 46 11.052 14.011 -11.764 354 1HB MET 46 2HB MET 46 11.709 12.692 -9.737 355 2HB MET 46 3HB MET 46 11.594 11.201 -10.653 356 1HG MET 46 2HG MET 46 13.353 13.201 -11.949 357 2HG MET 46 3HG MET 46 13.904 12.754 -10.347 358 1HE MET 46 1HE MET 46 14.188 10.720 -9.471 359 2HE MET 46 2HE MET 46 14.209 9.122 -10.255 360 3HE MET 46 3HE MET 46 15.637 10.179 -10.353 361 H LYS 47 HN LYS 47 9.876 10.703 -12.562 362 HA LYS 47 HA LYS 47 11.530 10.190 -14.711 363 1HB LYS 47 2HB LYS 47 9.552 8.857 -13.424 364 2HB LYS 47 3HB LYS 47 8.708 9.283 -14.899 365 1HG LYS 47 2HG LYS 47 11.438 8.345 -15.461 366 2HG LYS 47 3HG LYS 47 10.527 7.152 -14.557 367 1HD LYS 47 2HD LYS 47 9.344 8.525 -17.004 368 2HD LYS 47 3HD LYS 47 10.354 7.101 -17.158 369 1HE LYS 47 2HE LYS 47 8.745 6.021 -15.385 370 2HE LYS 47 3HE LYS 47 7.664 7.348 -15.762 371 1HZ LYS 47 1HZ LYS 47 7.793 5.055 -17.179 372 2HZ LYS 47 2HZ LYS 47 7.188 6.446 -17.772 373 H ASP 48 HN ASP 48 8.680 12.305 -14.406 374 HA ASP 48 HA ASP 48 9.136 13.039 -17.192 375 1HB ASP 48 2HB ASP 48 6.591 12.631 -15.619 376 2HB ASP 48 3HB ASP 48 6.597 13.867 -16.862 377 HD2 ASP 48 HD2 ASP 48 4.909 11.859 -17.361 378 H CYS 49 HN CYS 49 10.547 14.179 -14.964 379 HA CYS 49 HA CYS 49 9.329 16.325 -13.747 380 1HB CYS 49 2HB CYS 49 11.556 15.348 -13.150 381 2HB CYS 49 3HB CYS 49 12.248 16.127 -14.559 382 H THR 50 HN THR 50 8.287 18.007 -14.762 383 HA THR 50 HA THR 50 8.894 18.669 -17.481 384 HB THR 50 HB THR 50 6.591 18.693 -16.419 385 HG1 THR 50 HG1 THR 50 6.145 20.730 -17.517 386 1HG2 THR 50 2HG2 THR 50 7.632 19.975 -14.286 387 2HG2 THR 50 3HG2 THR 50 7.280 21.405 -15.284 388 3HG2 THR 50 1HG2 THR 50 5.967 20.295 -14.825 389 H GLU 51 HN GLU 51 10.574 19.269 -14.680 390 HA GLU 51 HA GLU 51 11.780 21.568 -15.941 391 1HB GLU 51 2HB GLU 51 9.997 22.190 -14.078 392 2HB GLU 51 3HB GLU 51 11.262 21.709 -12.964 393 1HG GLU 51 2HG GLU 51 11.391 24.135 -13.410 394 2HG GLU 51 3HG GLU 51 12.831 23.331 -14.004 395 HE2 GLU 51 HE2 GLU 51 12.331 24.760 -17.061 396 H ARG 52 HN ARG 52 13.022 19.296 -16.241 397 HA ARG 52 HA ARG 52 14.302 17.987 -14.357 398 1HB ARG 52 2HB ARG 52 15.410 19.029 -17.005 399 2HB ARG 52 3HB ARG 52 16.303 17.890 -16.016 400 1HG ARG 52 2HG ARG 52 14.528 16.225 -16.184 401 2HG ARG 52 3HG ARG 52 13.437 17.377 -16.928 402 1HD ARG 52 2HD ARG 52 14.569 17.334 -18.997 403 2HD ARG 52 3HD ARG 52 16.090 16.844 -18.278 404 HE ARG 52 HE ARG 52 14.497 14.677 -17.740 405 1HH1 ARG 52 2HH2 ARG 52 15.113 16.475 -20.729 406 2HH1 ARG 52 1HH2 ARG 52 14.847 15.105 -21.755 407 HH2 ARG 52 HH1 ARG 52 14.279 12.995 -20.770 408 H GLN 53 HN GLN 53 15.580 21.054 -15.858 409 HA GLN 53 HA GLN 53 16.551 21.908 -13.343 410 1HB GLN 53 2HB GLN 53 18.935 21.936 -13.846 411 2HB GLN 53 3HB GLN 53 18.346 20.292 -14.000 412 1HG GLN 53 2HG GLN 53 17.956 21.170 -16.569 413 2HG GLN 53 3HG GLN 53 19.325 22.167 -16.118 414 1HE2 GLN 53 2HE2 GLN 53 19.640 18.091 -16.599 415 2HE2 GLN 53 1HE2 GLN 53 18.118 18.915 -16.534 416 H ALA 54 HN ALA 54 17.538 24.137 -13.507 417 HA ALA 54 HA ALA 54 16.031 25.765 -15.156 418 1HB ALA 54 2HB ALA 54 18.307 26.010 -13.285 419 2HB ALA 54 3HB ALA 54 18.240 27.283 -14.527 420 3HB ALA 54 1HB ALA 54 16.848 27.016 -13.450 421 H ASN 55 HN ASN 55 16.033 25.600 -17.358 422 HA ASN 55 HA ASN 55 17.848 24.573 -18.961 423 1HB ASN 55 2HB ASN 55 15.571 26.022 -19.361 424 2HB ASN 55 3HB ASN 55 16.737 27.217 -19.892 425 1HD2 ASN 55 2HD2 ASN 55 15.849 25.424 -22.925 426 2HD2 ASN 55 1HD2 ASN 55 15.187 26.558 -21.795 427 1H5* G 201 1H5* G 201 0.556 -17.114 -7.644 428 2H5* G 201 2H5* G 201 0.673 -15.726 -6.563 429 H4* G 201 H4* G 201 -0.029 -17.359 -5.119 430 H3* G 201 H3* G 201 2.978 -17.296 -5.014 431 1H2* G 201 1H2* G 201 2.965 -18.991 -3.372 432 2HO* G 201 2HO* G 201 0.111 -18.597 -3.421 433 H1* G 201 H1* G 201 1.120 -20.618 -4.648 434 H8 G 201 H8 G 201 3.748 -18.540 -6.521 435 H1 G 201 H1 G 201 5.097 -24.838 -5.888 436 1H2 G 201 1H2 G 201 3.621 -25.751 -4.775 437 2H2 G 201 2H2 G 201 2.226 -24.931 -4.110 438 1H5* G 202 1H5* G 202 2.261 -17.333 -1.060 439 2H5* G 202 2H5* G 202 2.845 -15.830 -0.348 440 H4* G 202 H4* G 202 3.869 -17.419 0.965 441 H3* G 202 H3* G 202 5.747 -16.506 -1.173 442 1H2* G 202 1H2* G 202 7.402 -18.050 -0.515 443 2HO* G 202 2HO* G 202 6.852 -17.584 1.738 444 H1* G 202 H1* G 202 5.602 -20.200 -0.238 445 H8 G 202 H8 G 202 5.504 -17.692 -3.132 446 H1 G 202 H1 G 202 8.329 -23.361 -4.462 447 1H2 G 202 1H2 G 202 8.401 -24.512 -2.752 448 2H2 G 202 2H2 G 202 7.786 -24.016 -1.191 449 1H5* A 203 1H5* A 203 8.260 -16.209 2.093 450 2H5* A 203 2H5* A 203 9.196 -14.716 2.033 451 H4* A 203 H4* A 203 10.667 -16.624 1.920 452 H3* A 203 H3* A 203 10.476 -14.989 -0.607 453 1H2* A 203 1H2* A 203 12.183 -16.291 -1.555 454 2HO* A 203 2HO* A 203 12.491 -17.321 1.118 455 H1* A 203 H1* A 203 11.253 -18.737 -0.474 456 H8 A 203 H8 A 203 8.904 -16.186 -2.077 457 1H6 A 203 1H6 A 203 9.220 -19.797 -7.159 458 2H6 A 203 2H6 A 203 8.457 -18.381 -6.471 459 H2 A 203 H2 A 203 11.996 -21.446 -4.106 460 1H5* C 204 1H5* C 204 14.359 -15.300 0.605 461 2H5* C 204 2H5* C 204 15.440 -13.957 0.231 462 H4* C 204 H4* C 204 16.278 -15.903 -0.854 463 H3* C 204 H3* C 204 14.985 -13.961 -2.774 464 1H2* C 204 1H2* C 204 15.732 -15.284 -4.554 465 2HO* C 204 2HO* C 204 17.320 -17.094 -3.524 466 H1* C 204 H1* C 204 15.279 -17.760 -3.275 467 1H4 C 204 1H4 C 204 10.108 -17.186 -6.936 468 2H4 C 204 2H4 C 204 9.571 -15.806 -6.005 469 H5 C 204 H5 C 204 10.808 -14.854 -4.232 470 H6 C 204 H6 C 204 12.885 -14.993 -2.904 471 1H5* U 205 1H5* U 205 19.113 -14.071 -2.677 472 2H5* U 205 2H5* U 205 20.309 -12.817 -3.007 473 H4* U 205 H4* U 205 20.743 -14.349 -4.668 474 H3* U 205 H3* U 205 18.909 -12.237 -5.758 475 1H2* U 205 1H2* U 205 18.857 -13.300 -7.854 476 2HO* U 205 2HO* U 205 20.486 -15.280 -7.822 477 H1* U 205 H1* U 205 18.720 -15.915 -6.667 478 H3 U 205 H3 U 205 14.825 -16.029 -8.908 479 H5 U 205 H5 U 205 14.268 -12.866 -6.218 480 H6 U 205 H6 U 205 16.608 -13.157 -5.544 481 1H5* A 206 1H5* A 206 20.979 -12.376 -8.276 482 2H5* A 206 2H5* A 206 21.945 -11.147 -9.093 483 H4* A 206 H4* A 206 20.368 -11.698 -10.686 484 H3* A 206 H3* A 206 19.147 -9.348 -9.194 485 1H2* A 206 1H2* A 206 17.583 -9.283 -10.896 486 2HO* A 206 2HO* A 206 18.545 -10.534 -12.946 487 H1* A 206 H1* A 206 17.828 -12.077 -11.594 488 H8 A 206 H8 A 206 16.993 -10.915 -8.070 489 1H6 A 206 1H6 A 206 11.042 -12.027 -9.590 490 2H6 A 206 2H6 A 206 12.110 -11.575 -8.280 491 H2 A 206 H2 A 206 13.535 -12.599 -13.223 492 1H5* G 207 1H5* G 207 20.271 -8.215 -12.722 493 2H5* G 207 2H5* G 207 20.429 -6.550 -13.283 494 H4* G 207 H4* G 207 18.379 -7.345 -14.130 495 H3* G 207 H3* G 207 17.682 -5.737 -11.643 496 1H2* G 207 1H2* G 207 15.567 -5.582 -12.628 497 2HO* G 207 2HO* G 207 16.641 -4.862 -14.606 498 H1* G 207 H1* G 207 15.751 -8.149 -13.896 499 H8 G 207 H8 G 207 16.486 -7.650 -10.192 500 H1 G 207 H1 G 207 10.464 -9.593 -11.547 501 1H2 G 207 1H2 G 207 10.189 -9.610 -13.590 502 2H2 G 207 2H2 G 207 11.409 -9.165 -14.763 503 1H5* C 208 1H5* C 208 18.176 -2.297 -14.692 504 2H5* C 208 2H5* C 208 17.771 -0.790 -13.871 505 H4* C 208 H4* C 208 16.064 -2.044 -15.464 506 H3* C 208 H3* C 208 15.501 -0.437 -12.987 507 1H2* C 208 1H2* C 208 13.323 -1.126 -12.969 508 2HO* C 208 2HO* C 208 13.131 0.027 -14.978 509 H1* C 208 H1* C 208 13.571 -3.405 -14.731 510 1H4 C 208 1H4 C 208 11.970 -6.031 -9.153 511 2H4 C 208 2H4 C 208 13.517 -5.572 -8.479 512 H5 C 208 H5 C 208 15.129 -4.291 -9.635 513 H6 C 208 H6 C 208 15.659 -3.123 -11.745 514 1H5* G 209 1H5* G 209 12.786 3.946 -15.551 515 2H5* G 209 2H5* G 209 13.686 3.955 -14.034 516 H4* G 209 H4* G 209 11.283 2.431 -14.816 517 H3* G 209 H3* G 209 12.275 3.018 -12.014 518 1H2* G 209 1H2* G 209 10.004 2.573 -11.543 519 2HO* G 209 2HO* G 209 9.283 2.642 -14.268 520 H1* G 209 H1* G 209 9.714 0.583 -13.456 521 H8 G 209 H8 G 209 12.958 1.055 -11.470 522 H1 G 209 H1 G 209 9.058 -3.654 -9.352 523 1H2 G 209 1H2 G 209 7.324 -3.666 -10.467 524 2H2 G 209 2H2 G 209 6.978 -2.564 -11.781 525 1H5* G 210 1H5* G 210 9.355 5.196 -12.676 526 2H5* G 210 2H5* G 210 9.296 6.955 -12.783 527 H4* G 210 H4* G 210 8.098 5.156 -10.689 528 H3* G 210 H3* G 210 7.021 6.772 -12.874 529 1H2* G 210 1H2* G 210 6.230 8.434 -11.520 530 2HO* G 210 2HO* G 210 4.459 7.496 -10.146 531 H1* G 210 H1* G 210 6.510 7.357 -8.868 532 H8 G 210 H8 G 210 9.435 8.295 -11.139 533 H1 G 210 H1 G 210 7.853 12.737 -6.707 534 1H2 G 210 1H2 G 210 6.157 12.132 -5.700 535 2H2 G 210 2H2 G 210 5.292 10.644 -6.012 536 1H5* A 211 1H5* A 211 7.663 3.312 -11.324 537 2H5* A 211 2H5* A 211 7.507 1.601 -11.720 538 H4* A 211 H4* A 211 6.630 1.629 -9.611 539 H3* A 211 H3* A 211 4.489 1.727 -11.616 540 1H2* A 211 1H2* A 211 3.540 3.428 -10.253 541 2HO* A 211 2HO* A 211 2.960 0.888 -9.024 542 H1* A 211 H1* A 211 4.500 1.891 -7.795 543 H8 A 211 H8 A 211 4.940 5.467 -9.111 544 1H6 A 211 1H6 A 211 2.300 7.232 -3.739 545 2H6 A 211 2H6 A 211 3.031 7.815 -5.217 546 H2 A 211 H2 A 211 2.344 2.791 -3.872 547 1H5* G 212 1H5* G 212 3.063 -3.207 -9.093 548 2H5* G 212 2H5* G 212 3.684 -1.696 -8.430 549 H4* G 212 H4* G 212 5.376 -4.127 -9.049 550 H3* G 212 H3* G 212 3.728 -3.602 -6.719 551 1H2* G 212 1H2* G 212 5.341 -3.029 -5.215 552 2HO* G 212 2HO* G 212 7.126 -4.755 -6.652 553 H1* G 212 H1* G 212 7.503 -2.684 -7.188 554 H8 G 212 H8 G 212 4.411 -0.651 -6.138 555 H1 G 212 H1 G 212 10.135 2.126 -4.950 556 1H2 G 212 1H2 G 212 11.651 0.866 -5.556 557 2H2 G 212 2H2 G 212 11.407 -0.709 -6.279 558 1H5* G 213 1H5* G 213 2.180 -4.913 -8.618 559 2H5* G 213 2H5* G 213 1.100 -6.254 -8.997 560 H4* G 213 H4* G 213 2.133 -5.568 -11.022 561 H3* G 213 H3* G 213 3.383 -8.135 -9.999 562 1H2* G 213 1H2* G 213 4.604 -8.200 -11.937 563 2HO* G 213 2HO* G 213 3.455 -7.746 -13.848 564 H1* G 213 H1* G 213 4.672 -5.550 -12.722 565 H8 G 213 H8 G 213 4.988 -6.601 -9.048 566 H1 G 213 H1 G 213 10.550 -5.152 -12.022 567 1H2 G 213 1H2 G 213 10.179 -4.725 -14.005 568 2H2 G 213 2H2 G 213 8.598 -4.756 -14.751 569 1H5* C 214 1H5* C 214 1.763 -9.631 -13.929 570 2H5* C 214 2H5* C 214 2.053 -11.353 -13.685 571 H4* C 214 H4* C 214 3.533 -10.135 -15.359 572 H3* C 214 H3* C 214 4.793 -11.753 -13.119 573 1H2* C 214 1H2* C 214 6.780 -11.668 -14.390 574 2HO* C 214 2HO* C 214 5.153 -10.511 -16.461 575 H1* C 214 H1* C 214 6.573 -8.995 -15.075 576 1H4 C 214 1H4 C 214 9.787 -8.551 -9.607 577 2H4 C 214 2H4 C 214 8.433 -9.212 -8.720 578 H5 C 214 H5 C 214 6.426 -9.941 -9.731 579 H6 C 214 H6 C 214 5.214 -10.217 -11.864 580 1H5* U 215 1H5* U 215 5.222 -13.574 -16.504 581 2H5* U 215 2H5* U 215 5.443 -15.298 -16.801 582 H4* U 215 H4* U 215 7.442 -13.689 -17.108 583 H3* U 215 H3* U 215 7.496 -16.381 -15.800 584 1H2* U 215 1H2* U 215 9.340 -15.666 -14.634 585 2HO* U 215 2HO* U 215 10.747 -15.108 -16.961 586 H1* U 215 H1* U 215 10.135 -13.326 -16.197 587 H3 U 215 H3 U 215 11.256 -11.473 -12.285 588 H5 U 215 H5 U 215 7.335 -12.760 -11.575 589 H6 U 215 H6 U 215 7.349 -13.726 -13.829 590 1H5* A 216 1H5* A 216 10.889 -17.561 -18.661 591 2H5* A 216 2H5* A 216 10.660 -19.291 -18.405 592 H4* A 216 H4* A 216 12.760 -18.199 -17.438 593 H3* A 216 H3* A 216 10.952 -19.904 -15.694 594 1H2* A 216 1H2* A 216 12.605 -19.806 -14.082 595 2HO* A 216 2HO* A 216 14.709 -19.995 -14.814 596 H1* A 216 H1* A 216 13.724 -17.298 -14.955 597 H8 A 216 H8 A 216 10.033 -17.698 -14.126 598 1H6 A 216 1H6 A 216 11.488 -15.336 -8.536 599 2H6 A 216 2H6 A 216 10.163 -15.855 -9.554 600 H2 A 216 H2 A 216 15.254 -15.930 -10.817 601 1H5* G 217 1H5* G 217 14.284 -21.832 -16.356 602 2H5* G 217 2H5* G 217 14.539 -23.545 -16.028 603 H4* G 217 H4* G 217 15.500 -22.345 -14.230 604 H3* G 217 H3* G 217 12.791 -23.322 -13.247 605 1H2* G 217 1H2* G 217 13.766 -23.101 -11.124 606 2HO* G 217 2HO* G 217 16.314 -22.718 -11.480 607 H1* G 217 H1* G 217 15.323 -20.828 -11.851 608 H8 G 217 H8 G 217 11.614 -21.136 -12.699 609 H1 G 217 H1 G 217 12.942 -17.748 -7.346 610 1H2 G 217 1H2 G 217 14.963 -17.847 -6.953 611 2H2 G 217 2H2 G 217 16.126 -18.717 -7.927 612 1H5* U 218 1H5* U 218 15.656 -25.619 -11.749 613 2H5* U 218 2H5* U 218 15.362 -27.300 -11.305 614 H4* U 218 H4* U 218 15.979 -26.221 -9.316 615 H3* U 218 H3* U 218 12.968 -26.518 -9.423 616 1H2* U 218 1H2* U 218 12.875 -25.744 -7.223 617 2HO* U 218 2HO* U 218 15.723 -26.115 -7.132 618 H1* U 218 H1* U 218 15.035 -23.910 -7.492 619 H3 U 218 H3 U 218 11.773 -20.923 -6.717 620 H5 U 218 H5 U 218 10.585 -22.684 -10.326 621 H6 U 218 H6 U 218 12.480 -24.222 -10.085 622 1H5* C 219 1H5* C 219 14.265 -28.613 -6.517 623 2H5* C 219 2H5* C 219 13.815 -30.257 -6.067 624 H4* C 219 H4* C 219 13.118 -29.081 -4.228 625 H3* C 219 H3* C 219 10.765 -29.270 -6.100 626 1H2* C 219 1H2* C 219 9.453 -28.070 -4.598 627 2HO* C 219 2HO* C 219 11.560 -28.656 -2.722 628 H1* C 219 H1* C 219 11.563 -26.402 -3.646 629 1H4 C 219 1H4 C 219 8.348 -22.474 -7.483 630 2H4 C 219 2H4 C 219 8.749 -23.461 -8.871 631 H5 C 219 H5 C 219 9.951 -25.489 -8.739 632 H6 C 219 H6 C 219 11.077 -27.085 -7.227 633 1H5* C 220 1H5* C 220 8.838 -31.688 -2.958 634 2H5* C 220 2H5* C 220 8.507 -33.198 -3.803 635 H4* C 220 H4* C 220 6.420 -32.508 -3.052 636 H3* C 220 H3* C 220 6.812 -31.850 -5.942 637 1H2* C 220 1H2* C 220 4.710 -30.794 -6.078 638 2HO* C 220 2HO* C 220 4.372 -31.790 -3.396 639 H1* C 220 H1* C 220 5.045 -29.458 -3.580 640 1H4 C 220 1H4 C 220 6.260 -24.812 -7.751 641 2H4 C 220 2H4 C 220 7.647 -25.687 -8.363 642 H5 C 220 H5 C 220 8.277 -27.838 -7.620 643 H6 C 220 H6 C 220 7.727 -29.700 -6.093 No H/Q in entry = 643 Start of MODEL 21 1 H MET 1 HN MET 1 2.483 -14.328 4.745 2 HA MET 1 HA MET 1 4.723 -12.619 5.200 3 1HB MET 1 2HB MET 1 4.791 -15.485 5.856 4 2HB MET 1 3HB MET 1 5.937 -15.135 4.577 5 1HG MET 1 2HG MET 1 6.243 -13.014 6.452 6 2HG MET 1 3HG MET 1 6.097 -14.467 7.421 7 1HE MET 1 3HE MET 1 7.821 -15.713 8.074 8 2HE MET 1 1HE MET 1 7.755 -16.815 6.678 9 3HE MET 1 2HE MET 1 9.316 -16.144 7.209 10 H GLN 2 HN GLN 2 2.518 -12.946 3.238 11 HA GLN 2 HA GLN 2 3.758 -14.104 0.942 12 1HB GLN 2 2HB GLN 2 1.089 -13.104 1.702 13 2HB GLN 2 3HB GLN 2 1.523 -12.671 0.060 14 1HG GLN 2 2HG GLN 2 0.412 -14.848 0.026 15 2HG GLN 2 3HG GLN 2 2.095 -15.071 -0.409 16 1HE2 GLN 2 2HE2 GLN 2 2.968 -17.098 2.277 17 2HE2 GLN 2 1HE2 GLN 2 3.439 -16.237 0.850 18 H LYS 3 HN LYS 3 3.173 -12.437 -1.174 19 HA LYS 3 HA LYS 3 3.854 -10.663 -2.299 20 1HB LYS 3 2HB LYS 3 3.847 -9.320 0.419 21 2HB LYS 3 3HB LYS 3 4.124 -8.475 -1.092 22 1HG LYS 3 2HG LYS 3 1.744 -10.194 -1.255 23 2HG LYS 3 3HG LYS 3 1.621 -9.063 0.079 24 1HD LYS 3 2HD LYS 3 0.921 -7.562 -1.490 25 2HD LYS 3 3HD LYS 3 2.616 -7.421 -1.914 26 1HE LYS 3 2HE LYS 3 1.603 -9.766 -3.242 27 2HE LYS 3 3HE LYS 3 0.443 -8.479 -3.509 28 1HZ LYS 3 1HZ LYS 3 2.511 -8.685 -5.058 29 2HZ LYS 3 2HZ LYS 3 2.025 -7.198 -4.604 30 H GLY 4 HN GLY 4 5.693 -12.546 -2.148 31 1HA GLY 4 1HA GLY 4 8.090 -11.987 -0.821 32 2HA GLY 4 2HA GLY 4 7.895 -12.976 -2.254 33 H ASN 5 HN ASN 5 6.538 -10.351 -3.476 34 HA ASN 5 HA ASN 5 8.679 -9.632 -5.009 35 1HB ASN 5 2HB ASN 5 6.015 -9.083 -5.067 36 2HB ASN 5 3HB ASN 5 6.569 -7.553 -4.417 37 1HD2 ASN 5 2HD2 ASN 5 7.836 -6.288 -7.382 38 2HD2 ASN 5 1HD2 ASN 5 7.468 -6.085 -5.702 39 H PHE 6 HN PHE 6 7.624 -8.588 -1.789 40 HA PHE 6 HA PHE 6 8.808 -6.095 -1.637 41 1HB PHE 6 2HB PHE 6 7.695 -8.218 0.065 42 2HB PHE 6 3HB PHE 6 9.100 -7.532 0.853 43 HD1 PHE 6 HD1 PHE 6 6.772 -5.670 -1.339 44 HD2 PHE 6 HD2 PHE 6 8.027 -6.427 2.644 45 HE1 PHE 6 HE1 PHE 6 5.381 -3.743 -0.534 46 HE2 PHE 6 HE2 PHE 6 6.636 -4.498 3.448 47 HZ PHE 6 HZ PHE 6 5.329 -3.180 1.850 48 H ARG 7 HN ARG 7 10.284 -9.192 -2.033 49 HA ARG 7 HA ARG 7 12.543 -8.907 -0.510 50 1HB ARG 7 2HB ARG 7 11.951 -10.352 -3.119 51 2HB ARG 7 3HB ARG 7 13.565 -10.400 -2.439 52 1HG ARG 7 2HG ARG 7 11.796 -10.944 -0.266 53 2HG ARG 7 3HG ARG 7 11.185 -11.876 -1.620 54 1HD ARG 7 2HD ARG 7 12.826 -13.404 -1.263 55 2HD ARG 7 3HD ARG 7 14.015 -12.196 -1.706 56 HE ARG 7 HE ARG 7 13.246 -12.985 1.034 57 1HH1 ARG 7 2HH2 ARG 7 14.976 -10.647 -0.990 58 2HH1 ARG 7 1HH2 ARG 7 15.965 -10.067 0.308 59 HH2 ARG 7 HH1 ARG 7 15.698 -11.006 2.497 60 H ASN 8 HN ASN 8 11.456 -6.966 -3.090 61 HA ASN 8 HA ASN 8 13.706 -6.479 -4.553 62 1HB ASN 8 2HB ASN 8 12.650 -4.274 -5.069 63 2HB ASN 8 3HB ASN 8 11.463 -5.561 -5.110 64 1HD2 ASN 8 2HD2 ASN 8 10.265 -2.535 -3.176 65 2HD2 ASN 8 1HD2 ASN 8 11.020 -2.760 -4.719 66 H GLN 9 HN GLN 9 12.614 -5.242 -1.356 67 HA GLN 9 HA GLN 9 14.401 -3.159 -1.113 68 1HB GLN 9 2HB GLN 9 13.122 -4.946 0.998 69 2HB GLN 9 3HB GLN 9 14.022 -3.494 1.387 70 1HG GLN 9 2HG GLN 9 12.379 -2.076 0.557 71 2HG GLN 9 3HG GLN 9 11.886 -3.195 -0.697 72 1HE2 GLN 9 2HE2 GLN 9 10.449 -3.607 3.176 73 2HE2 GLN 9 1HE2 GLN 9 11.989 -2.889 2.847 74 H ARG 10 HN ARG 10 15.039 -6.482 -1.417 75 HA ARG 10 HA ARG 10 17.023 -6.911 0.411 76 1HB ARG 10 2HB ARG 10 17.777 -8.712 -1.110 77 2HB ARG 10 3HB ARG 10 16.027 -8.669 -1.058 78 1HG ARG 10 2HG ARG 10 16.211 -7.098 -3.153 79 2HG ARG 10 3HG ARG 10 17.862 -7.676 -3.267 80 1HD ARG 10 2HD ARG 10 17.190 -9.666 -4.149 81 2HD ARG 10 3HD ARG 10 16.040 -9.926 -2.853 82 HE ARG 10 HE ARG 10 15.193 -7.937 -4.856 83 1HH1 ARG 10 2HH2 ARG 10 15.102 -11.343 -3.881 84 2HH1 ARG 10 1HH2 ARG 10 13.689 -11.701 -4.816 85 HH2 ARG 10 HH1 ARG 10 12.663 -9.962 -6.107 86 H LYS 11 HN LYS 11 16.929 -4.723 -2.264 87 HA LYS 11 HA LYS 11 19.862 -4.568 -2.297 88 1HB LYS 11 2HB LYS 11 18.926 -5.132 -4.469 89 2HB LYS 11 3HB LYS 11 17.826 -3.770 -4.397 90 1HG LYS 11 2HG LYS 11 19.487 -2.213 -4.846 91 2HG LYS 11 3HG LYS 11 20.726 -3.124 -4.005 92 1HD LYS 11 2HD LYS 11 21.451 -3.988 -5.969 93 2HD LYS 11 3HD LYS 11 19.882 -4.721 -6.242 94 1HE LYS 11 2HE LYS 11 19.800 -3.329 -8.061 95 2HE LYS 11 3HE LYS 11 19.310 -2.115 -6.898 96 1HZ LYS 11 1HZ LYS 11 21.254 -1.040 -7.185 97 2HZ LYS 11 2HZ LYS 11 22.158 -2.382 -7.000 98 H THR 12 HN THR 12 17.386 -2.153 -3.288 99 HA THR 12 HA THR 12 17.386 -0.604 -0.998 100 HB THR 12 HB THR 12 19.939 -0.590 -1.802 101 HG1 THR 12 HG1 THR 12 18.167 1.646 -1.133 102 1HG2 THR 12 1HG2 THR 12 18.875 0.457 -4.112 103 2HG2 THR 12 2HG2 THR 12 19.104 1.945 -3.162 104 3HG2 THR 12 3HG2 THR 12 20.492 0.885 -3.504 105 H VAL 13 HN VAL 13 15.461 -1.426 -2.780 106 HA VAL 13 HA VAL 13 14.850 0.024 -4.944 107 HB VAL 13 HB VAL 13 12.455 -0.181 -4.170 108 1HG1 VAL 13 3HG1 VAL 13 14.401 -2.224 -4.800 109 2HG1 VAL 13 1HG1 VAL 13 13.130 -2.886 -3.745 110 3HG1 VAL 13 2HG1 VAL 13 12.691 -2.101 -5.280 111 1HG2 VAL 13 3HG2 VAL 13 13.787 -1.427 -1.743 112 2HG2 VAL 13 1HG2 VAL 13 12.778 0.039 -1.771 113 3HG2 VAL 13 2HG2 VAL 13 12.057 -1.547 -2.138 114 H LYS 14 HN LYS 14 13.563 1.981 -5.354 115 HA LYS 14 HA LYS 14 14.191 4.020 -3.346 116 1HB LYS 14 2HB LYS 14 14.412 5.559 -5.063 117 2HB LYS 14 3HB LYS 14 15.077 4.102 -5.775 118 1HG LYS 14 2HG LYS 14 12.408 3.826 -6.432 119 2HG LYS 14 3HG LYS 14 12.571 5.571 -6.453 120 1HD LYS 14 2HD LYS 14 14.677 3.903 -7.840 121 2HD LYS 14 3HD LYS 14 13.126 4.117 -8.624 122 1HE LYS 14 2HE LYS 14 13.597 6.274 -9.193 123 2HE LYS 14 3HE LYS 14 14.125 6.668 -7.570 124 1HZ LYS 14 1HZ LYS 14 16.298 6.092 -8.069 125 2HZ LYS 14 2HZ LYS 14 15.903 5.029 -9.238 126 H CYS 15 HN CYS 15 12.591 5.320 -2.456 127 HA CYS 15 HA CYS 15 9.967 4.224 -2.577 128 1HB CYS 15 2HB CYS 15 10.925 5.091 -0.475 129 2HB CYS 15 3HB CYS 15 10.999 6.703 -1.158 130 H PHE 16 HN PHE 16 8.632 4.662 -4.300 131 HA PHE 16 HA PHE 16 9.119 6.910 -5.975 132 1HB PHE 16 2HB PHE 16 7.126 4.623 -5.684 133 2HB PHE 16 3HB PHE 16 6.712 5.935 -6.771 134 HD1 PHE 16 HD1 PHE 16 9.323 6.582 -7.972 135 HD2 PHE 16 HD2 PHE 16 7.593 2.815 -7.062 136 HE1 PHE 16 HE1 PHE 16 10.693 5.515 -9.784 137 HE2 PHE 16 HE2 PHE 16 8.964 1.748 -8.874 138 HZ PHE 16 HZ PHE 16 10.498 3.111 -10.213 139 H ASN 17 HN ASN 17 7.915 6.865 -2.924 140 HA ASN 17 HA ASN 17 5.650 8.565 -3.489 141 1HB ASN 17 2HB ASN 17 5.823 6.660 -1.641 142 2HB ASN 17 3HB ASN 17 6.677 7.874 -0.709 143 1HD2 ASN 17 2HD2 ASN 17 3.625 8.912 0.584 144 2HD2 ASN 17 1HD2 ASN 17 5.196 8.227 0.837 145 H CYS 18 HN CYS 18 8.519 8.538 -1.224 146 HA CYS 18 HA CYS 18 8.454 11.418 -1.130 147 1HB CYS 18 2HB CYS 18 10.262 11.161 0.547 148 2HB CYS 18 3HB CYS 18 8.814 10.267 0.963 149 H GLY 19 HN GLY 19 10.518 8.691 -2.295 150 1HA GLY 19 1HA GLY 19 11.663 8.919 -4.373 151 2HA GLY 19 2HA GLY 19 11.930 10.617 -4.030 152 H LYS 20 HN LYS 20 12.262 8.105 -1.514 153 HA LYS 20 HA LYS 20 15.100 8.780 -1.374 154 1HB LYS 20 2HB LYS 20 13.164 8.712 0.571 155 2HB LYS 20 3HB LYS 20 13.904 7.136 0.764 156 1HG LYS 20 2HG LYS 20 16.155 8.188 0.918 157 2HG LYS 20 3HG LYS 20 15.448 9.771 0.664 158 1HD LYS 20 2HD LYS 20 15.395 9.851 2.954 159 2HD LYS 20 3HD LYS 20 13.919 8.924 2.770 160 1HE LYS 20 2HE LYS 20 15.055 6.834 3.186 161 2HE LYS 20 3HE LYS 20 16.636 7.560 2.976 162 1HZ LYS 20 1HZ LYS 20 16.187 8.904 4.992 163 2HZ LYS 20 2HZ LYS 20 14.756 8.154 5.200 164 H GLU 21 HN GLU 21 16.196 6.577 -0.167 165 HA GLU 21 HA GLU 21 15.518 4.388 -1.956 166 1HB GLU 21 2HB GLU 21 17.982 5.960 -1.946 167 2HB GLU 21 3HB GLU 21 18.327 4.276 -1.603 168 1HG GLU 21 2HG GLU 21 17.425 3.526 -3.663 169 2HG GLU 21 3HG GLU 21 16.443 4.963 -3.873 170 HE1 GLU 21 HE2 GLU 21 19.695 4.097 -5.302 171 H GLY 22 HN GLY 22 15.028 2.620 -0.739 172 1HA GLY 22 1HA GLY 22 16.417 1.166 0.917 173 2HA GLY 22 2HA GLY 22 16.064 2.494 2.003 174 H HIS 23 HN HIS 23 13.404 3.106 0.782 175 HA HIS 23 HA HIS 23 11.961 0.659 1.447 176 1HB HIS 23 2HB HIS 23 10.509 1.737 2.958 177 2HB HIS 23 3HB HIS 23 12.134 2.177 3.446 178 HD1 HIS 23 HD1 HIS 23 12.829 4.669 3.250 179 HD2 HIS 23 HD2 HIS 23 8.947 3.868 1.879 180 HE1 HIS 23 HE1 HIS 23 11.698 6.935 2.946 181 H ILE 24 HN ILE 24 9.626 0.770 0.693 182 HA ILE 24 HA ILE 24 9.534 2.369 -1.768 183 HB ILE 24 HB ILE 24 8.245 0.671 -2.758 184 1HG1 ILE 24 2HG1 ILE 24 8.133 -0.803 -0.113 185 2HG1 ILE 24 3HG1 ILE 24 6.843 0.217 -0.718 186 1HG2 ILE 24 3HG2 ILE 24 10.829 0.131 -1.654 187 2HG2 ILE 24 1HG2 ILE 24 9.885 -1.377 -1.681 188 3HG2 ILE 24 2HG2 ILE 24 10.112 -0.444 -3.179 189 1HD1 ILE 24 2HD1 ILE 24 7.990 -2.052 -2.390 190 2HD1 ILE 24 3HD1 ILE 24 6.665 -2.307 -1.229 191 3HD1 ILE 24 1HD1 ILE 24 6.441 -1.201 -2.605 192 H ALA 25 HN ALA 25 7.303 3.090 -2.431 193 HA ALA 25 HA ALA 25 6.176 4.688 -0.524 194 1HB ALA 25 3HB ALA 25 5.058 3.452 -3.063 195 2HB ALA 25 1HB ALA 25 4.182 4.682 -2.121 196 3HB ALA 25 2HB ALA 25 5.760 5.073 -2.847 197 H LYS 26 HN LYS 26 5.455 1.269 -1.351 198 HA LYS 26 HA LYS 26 3.099 1.044 0.111 199 1HB LYS 26 2HB LYS 26 5.170 -1.105 -0.422 200 2HB LYS 26 3HB LYS 26 3.481 -1.352 -0.027 201 1HG LYS 26 2HG LYS 26 4.010 0.446 -2.361 202 2HG LYS 26 3HG LYS 26 4.444 -1.236 -2.591 203 1HD LYS 26 2HD LYS 26 1.879 -1.208 -1.297 204 2HD LYS 26 3HD LYS 26 1.806 -0.031 -2.594 205 1HE LYS 26 2HE LYS 26 2.952 -1.938 -4.039 206 2HE LYS 26 3HE LYS 26 2.378 -3.004 -2.773 207 1HZ LYS 26 1HZ LYS 26 0.273 -2.801 -3.524 208 2HZ LYS 26 2HZ LYS 26 0.344 -1.179 -3.652 209 H ASN 27 HN ASN 27 6.559 0.675 1.057 210 HA ASN 27 HA ASN 27 5.693 0.187 3.765 211 1HB ASN 27 2HB ASN 27 8.468 0.246 2.467 212 2HB ASN 27 3HB ASN 27 8.202 -0.101 4.164 213 1HD2 ASN 27 2HD2 ASN 27 8.185 -3.079 1.597 214 2HD2 ASN 27 1HD2 ASN 27 8.979 -1.546 1.472 215 H CYS 28 HN CYS 28 5.783 2.846 1.946 216 HA CYS 28 HA CYS 28 7.553 4.495 3.492 217 1HB CYS 28 2HB CYS 28 7.262 4.863 1.065 218 2HB CYS 28 3HB CYS 28 5.569 5.242 1.318 219 H ARG 29 HN ARG 29 6.946 5.689 5.290 220 HA ARG 29 HA ARG 29 4.430 5.188 6.396 221 1HB ARG 29 2HB ARG 29 6.655 5.736 7.606 222 2HB ARG 29 3HB ARG 29 6.355 7.416 7.211 223 1HG ARG 29 2HG ARG 29 4.149 7.293 8.402 224 2HG ARG 29 3HG ARG 29 4.470 5.620 8.812 225 1HD ARG 29 2HD ARG 29 6.464 6.280 10.121 226 2HD ARG 29 3HD ARG 29 6.272 7.951 9.629 227 HE ARG 29 HE ARG 29 3.819 7.308 10.780 228 1HH1 ARG 29 2HH2 ARG 29 7.184 7.201 11.881 229 2HH1 ARG 29 1HH2 ARG 29 6.779 7.460 13.545 230 HH2 ARG 29 HH1 ARG 29 4.479 7.721 14.165 231 H ALA 30 HN ALA 30 5.779 7.705 4.308 232 HA ALA 30 HA ALA 30 3.944 9.749 4.891 233 1HB ALA 30 2HB ALA 30 6.161 9.257 3.152 234 2HB ALA 30 3HB ALA 30 4.806 9.830 2.150 235 3HB ALA 30 1HB ALA 30 5.374 10.810 3.524 236 HA PRO 31 HA PRO 31 0.408 8.382 2.812 237 1HB PRO 31 2HB PRO 31 -0.819 10.738 2.173 238 2HB PRO 31 3HB PRO 31 -0.890 10.024 3.771 239 1HG PRO 31 2HG PRO 31 0.692 12.344 2.845 240 2HG PRO 31 3HG PRO 31 0.279 11.881 4.484 241 1HD PRO 31 2HD PRO 31 2.813 11.527 3.189 242 2HD PRO 31 3HD PRO 31 2.363 10.960 4.786 243 H ARG 32 HN ARG 32 -0.675 7.981 0.823 244 HA ARG 32 HA ARG 32 1.084 7.885 -1.259 245 1HB ARG 32 2HB ARG 32 -1.959 8.036 -1.521 246 2HB ARG 32 3HB ARG 32 -0.855 7.261 -2.640 247 1HG ARG 32 2HG ARG 32 -0.390 6.191 0.018 248 2HG ARG 32 3HG ARG 32 -2.108 6.121 -0.323 249 1HD ARG 32 2HD ARG 32 -1.712 4.259 -1.562 250 2HD ARG 32 3HD ARG 32 -0.900 5.278 -2.734 251 HE ARG 32 HE ARG 32 1.089 4.275 -2.072 252 1HH1 ARG 32 2HH2 ARG 32 -1.104 4.279 0.711 253 2HH1 ARG 32 1HH2 ARG 32 0.020 3.475 1.756 254 HH2 ARG 32 HH1 ARG 32 2.175 2.859 0.908 255 H LYS 33 HN LYS 33 2.047 9.663 -2.213 256 HA LYS 33 HA LYS 33 0.246 11.843 -3.004 257 1HB LYS 33 2HB LYS 33 2.579 11.936 -1.257 258 2HB LYS 33 3HB LYS 33 2.769 12.991 -2.643 259 1HG LYS 33 2HG LYS 33 1.105 14.415 -1.956 260 2HG LYS 33 3HG LYS 33 0.056 13.106 -1.445 261 1HD LYS 33 2HD LYS 33 1.087 12.936 0.692 262 2HD LYS 33 3HD LYS 33 2.546 13.752 0.164 263 1HE LYS 33 2HE LYS 33 1.365 15.901 0.012 264 2HE LYS 33 3HE LYS 33 -0.178 15.128 0.321 265 1HZ LYS 33 1HZ LYS 33 0.638 14.508 2.535 266 2HZ LYS 33 2HZ LYS 33 2.082 15.202 2.250 267 H LYS 34 HN LYS 34 1.828 13.318 -4.626 268 HA LYS 34 HA LYS 34 3.264 11.524 -6.387 269 1HB LYS 34 2HB LYS 34 0.659 12.852 -7.134 270 2HB LYS 34 3HB LYS 34 1.862 12.462 -8.346 271 1HG LYS 34 2HG LYS 34 1.847 10.069 -7.162 272 2HG LYS 34 3HG LYS 34 0.277 10.587 -6.579 273 1HD LYS 34 2HD LYS 34 0.957 10.852 -9.524 274 2HD LYS 34 3HD LYS 34 0.454 9.302 -8.881 275 1HE LYS 34 2HE LYS 34 -1.214 11.718 -8.182 276 2HE LYS 34 3HE LYS 34 -1.327 11.095 -9.816 277 1HZ LYS 34 1HZ LYS 34 -1.997 8.966 -8.965 278 2HZ LYS 34 2HZ LYS 34 -1.669 9.372 -7.423 279 H GLY 35 HN GLY 35 4.529 13.289 -4.841 280 1HA GLY 35 1HA GLY 35 4.752 15.811 -6.329 281 2HA GLY 35 2HA GLY 35 5.361 15.477 -4.720 282 H CYS 36 HN CYS 36 6.456 16.210 -7.675 283 HA CYS 36 HA CYS 36 8.251 14.173 -8.307 284 1HB CYS 36 2HB CYS 36 7.708 15.797 -9.973 285 2HB CYS 36 3HB CYS 36 8.214 17.131 -8.956 286 H TRP 37 HN TRP 37 9.994 13.483 -7.116 287 HA TRP 37 HA TRP 37 10.938 15.145 -4.953 288 1HB TRP 37 2HB TRP 37 12.477 12.757 -5.327 289 2HB TRP 37 3HB TRP 37 11.430 13.219 -3.999 290 HD1 TRP 37 HD1 TRP 37 8.735 12.467 -4.304 291 HE1 TRP 37 HE1 TRP 37 7.606 10.386 -5.470 292 HE3 TRP 37 HE3 TRP 37 12.739 11.247 -7.191 293 HZ2 TRP 37 HZ2 TRP 37 8.493 8.507 -7.425 294 HZ3 TRP 37 HZ3 TRP 37 12.525 9.275 -8.700 295 HH2 TRP 37 HH2 TRP 37 10.494 7.923 -8.846 296 H LYS 38 HN LYS 38 11.286 16.258 -7.603 297 HA LYS 38 HA LYS 38 14.215 16.229 -7.704 298 1HB LYS 38 2HB LYS 38 12.656 15.046 -9.636 299 2HB LYS 38 3HB LYS 38 12.865 16.658 -10.288 300 1HG LYS 38 2HG LYS 38 14.811 15.704 -11.102 301 2HG LYS 38 3HG LYS 38 15.419 16.254 -9.553 302 1HD LYS 38 2HD LYS 38 14.237 13.703 -9.059 303 2HD LYS 38 3HD LYS 38 15.144 13.527 -10.547 304 1HE LYS 38 2HE LYS 38 17.023 14.864 -9.165 305 2HE LYS 38 3HE LYS 38 16.145 14.234 -7.787 306 1HZ LYS 38 1HZ LYS 38 16.941 12.424 -9.982 307 2HZ LYS 38 2HZ LYS 38 17.997 12.787 -8.797 308 H CYS 39 HN CYS 39 11.140 17.920 -8.593 309 HA CYS 39 HA CYS 39 12.624 20.427 -8.315 310 1HB CYS 39 2HB CYS 39 10.710 21.432 -9.604 311 2HB CYS 39 3HB CYS 39 11.698 20.301 -10.506 312 H GLY 40 HN GLY 40 9.892 18.401 -7.253 313 1HA GLY 40 1HA GLY 40 9.018 18.506 -5.094 314 2HA GLY 40 2HA GLY 40 9.517 20.180 -4.954 315 H LYS 41 HN LYS 41 7.995 19.139 -7.967 316 HA LYS 41 HA LYS 41 5.694 20.791 -7.272 317 1HB LYS 41 2HB LYS 41 7.311 20.661 -9.530 318 2HB LYS 41 3HB LYS 41 5.863 19.806 -10.022 319 1HG LYS 41 2HG LYS 41 4.865 22.026 -8.612 320 2HG LYS 41 3HG LYS 41 6.242 22.678 -9.477 321 1HD LYS 41 2HD LYS 41 5.226 22.455 -11.519 322 2HD LYS 41 3HD LYS 41 4.589 20.868 -11.140 323 1HE LYS 41 2HE LYS 41 2.543 21.800 -10.841 324 2HE LYS 41 3HE LYS 41 3.167 22.664 -9.450 325 1HZ LYS 41 1HZ LYS 41 3.652 23.747 -12.149 326 2HZ LYS 41 2HZ LYS 41 2.212 24.006 -11.434 327 H GLU 42 HN GLU 42 3.682 19.962 -6.934 328 HA GLU 42 HA GLU 42 3.512 17.089 -6.986 329 1HB GLU 42 2HB GLU 42 1.460 17.394 -5.676 330 2HB GLU 42 3HB GLU 42 2.758 18.345 -4.979 331 1HG GLU 42 2HG GLU 42 1.894 20.360 -6.261 332 2HG GLU 42 3HG GLU 42 0.540 19.388 -6.802 333 HE2 GLU 42 HE2 GLU 42 1.499 21.430 -4.563 334 H GLY 43 HN GLY 43 2.538 15.953 -8.613 335 1HA GLY 43 1HA GLY 43 0.323 16.011 -9.876 336 2HA GLY 43 2HA GLY 43 0.951 17.495 -10.564 337 H HIS 44 HN HIS 44 3.697 16.888 -10.889 338 HA HIS 44 HA HIS 44 3.486 14.799 -12.923 339 1HB HIS 44 2HB HIS 44 5.110 15.926 -14.171 340 2HB HIS 44 3HB HIS 44 4.057 17.189 -13.567 341 HD1 HIS 44 HD1 HIS 44 5.102 19.017 -12.140 342 HD2 HIS 44 HD2 HIS 44 7.678 15.772 -12.792 343 HE1 HIS 44 HE1 HIS 44 7.387 19.730 -11.257 344 H GLN 45 HN GLN 45 5.856 13.800 -13.346 345 HA GLN 45 HA GLN 45 6.959 13.200 -10.716 346 1HB GLN 45 2HB GLN 45 7.152 10.853 -11.288 347 2HB GLN 45 3HB GLN 45 5.491 11.339 -11.569 348 1HG GLN 45 2HG GLN 45 6.658 11.883 -14.031 349 2HG GLN 45 3HG GLN 45 7.561 10.471 -13.517 350 1HE2 GLN 45 2HE2 GLN 45 5.102 8.306 -14.591 351 2HE2 GLN 45 1HE2 GLN 45 6.771 8.744 -14.433 352 H MET 46 HN MET 46 9.249 12.247 -10.877 353 HA MET 46 HA MET 46 10.878 13.978 -12.171 354 1HB MET 46 2HB MET 46 11.613 12.463 -10.354 355 2HB MET 46 3HB MET 46 11.331 11.055 -11.358 356 1HG MET 46 2HG MET 46 13.225 13.166 -12.394 357 2HG MET 46 3HG MET 46 13.785 12.126 -11.099 358 1HE MET 46 1HE MET 46 14.174 10.063 -11.015 359 2HE MET 46 2HE MET 46 13.608 8.751 -12.077 360 3HE MET 46 3HE MET 46 15.183 9.523 -12.378 361 H LYS 47 HN LYS 47 9.673 10.770 -13.309 362 HA LYS 47 HA LYS 47 11.241 10.556 -15.575 363 1HB LYS 47 2HB LYS 47 9.904 8.728 -14.668 364 2HB LYS 47 3HB LYS 47 8.419 9.576 -15.049 365 1HG LYS 47 2HG LYS 47 9.678 9.622 -17.506 366 2HG LYS 47 3HG LYS 47 10.279 8.108 -16.860 367 1HD LYS 47 2HD LYS 47 8.237 7.585 -18.030 368 2HD LYS 47 3HD LYS 47 7.872 7.463 -16.321 369 1HE LYS 47 2HE LYS 47 6.102 8.826 -16.839 370 2HE LYS 47 3HE LYS 47 7.288 10.112 -16.733 371 1HZ LYS 47 1HZ LYS 47 6.471 10.459 -18.843 372 2HZ LYS 47 2HZ LYS 47 7.671 9.435 -19.243 373 H ASP 48 HN ASP 48 8.273 12.452 -14.933 374 HA ASP 48 HA ASP 48 8.511 13.460 -17.658 375 1HB ASP 48 2HB ASP 48 6.247 12.597 -16.066 376 2HB ASP 48 3HB ASP 48 6.056 14.303 -16.415 377 HD2 ASP 48 HD2 ASP 48 4.487 13.279 -19.240 378 H CYS 49 HN CYS 49 10.123 14.291 -15.287 379 HA CYS 49 HA CYS 49 9.180 16.439 -13.917 380 1HB CYS 49 2HB CYS 49 11.385 15.302 -13.578 381 2HB CYS 49 3HB CYS 49 12.006 16.143 -14.985 382 H THR 50 HN THR 50 8.166 18.246 -14.722 383 HA THR 50 HA THR 50 8.626 19.073 -17.434 384 HB THR 50 HB THR 50 6.386 19.086 -16.246 385 HG1 THR 50 HG1 THR 50 7.016 20.547 -18.063 386 1HG2 THR 50 3HG2 THR 50 7.735 20.327 -14.154 387 2HG2 THR 50 1HG2 THR 50 7.006 21.715 -14.996 388 3HG2 THR 50 2HG2 THR 50 5.973 20.395 -14.395 389 H GLU 51 HN GLU 51 10.522 19.371 -14.753 390 HA GLU 51 HA GLU 51 11.881 21.564 -15.932 391 1HB GLU 51 2HB GLU 51 9.967 22.243 -14.006 392 2HB GLU 51 3HB GLU 51 11.456 22.201 -13.083 393 1HG GLU 51 2HG GLU 51 11.589 24.380 -13.862 394 2HG GLU 51 3HG GLU 51 12.403 23.575 -15.189 395 HE1 GLU 51 HE2 GLU 51 8.521 23.940 -15.805 396 H ARG 52 HN ARG 52 13.144 19.404 -16.034 397 HA ARG 52 HA ARG 52 14.072 18.020 -13.985 398 1HB ARG 52 2HB ARG 52 16.123 17.596 -15.324 399 2HB ARG 52 3HB ARG 52 14.707 17.620 -16.357 400 1HG ARG 52 2HG ARG 52 15.463 19.424 -17.524 401 2HG ARG 52 3HG ARG 52 15.840 20.313 -16.061 402 1HD ARG 52 2HD ARG 52 18.057 19.788 -16.193 403 2HD ARG 52 3HD ARG 52 17.720 18.088 -16.455 404 HE ARG 52 HE ARG 52 17.170 19.786 -18.791 405 1HH1 ARG 52 2HH2 ARG 52 19.604 17.830 -17.115 406 2HH1 ARG 52 1HH2 ARG 52 20.564 17.586 -18.535 407 HH2 ARG 52 HH1 ARG 52 19.860 18.555 -20.611 408 H GLN 53 HN GLN 53 16.330 18.067 -12.888 409 HA GLN 53 HA GLN 53 17.503 20.645 -12.630 410 1HB GLN 53 2HB GLN 53 15.372 20.232 -10.949 411 2HB GLN 53 3HB GLN 53 16.673 19.596 -9.963 412 1HG GLN 53 2HG GLN 53 17.631 22.038 -11.139 413 2HG GLN 53 3HG GLN 53 16.020 22.363 -10.528 414 1HE2 GLN 53 2HE2 GLN 53 18.734 22.853 -7.919 415 2HE2 GLN 53 1HE2 GLN 53 18.562 23.337 -9.573 416 H ALA 54 HN ALA 54 19.605 20.016 -12.904 417 HA ALA 54 HA ALA 54 20.448 17.468 -11.800 418 1HB ALA 54 2HB ALA 54 20.979 18.756 -14.153 419 2HB ALA 54 3HB ALA 54 22.393 19.233 -13.182 420 3HB ALA 54 1HB ALA 54 22.028 17.509 -13.436 421 H ASN 55 HN ASN 55 22.792 17.531 -10.793 422 HA ASN 55 HA ASN 55 22.574 19.408 -8.626 423 1HB ASN 55 2HB ASN 55 23.045 16.956 -8.223 424 2HB ASN 55 3HB ASN 55 24.557 17.118 -9.094 425 1HD2 ASN 55 2HD2 ASN 55 26.314 17.924 -6.240 426 2HD2 ASN 55 1HD2 ASN 55 26.179 17.085 -7.748 427 1H5* G 201 1H5* G 201 -1.322 -20.790 -4.405 428 2H5* G 201 2H5* G 201 -0.271 -19.531 -3.755 429 H4* G 201 H4* G 201 0.280 -21.936 -3.152 430 H3* G 201 H3* G 201 2.575 -20.498 -4.525 431 1H2* G 201 1H2* G 201 3.833 -21.843 -3.047 432 2HO* G 201 2HO* G 201 2.866 -22.420 -1.091 433 H1* G 201 H1* G 201 2.124 -24.055 -3.237 434 H8 G 201 H8 G 201 3.594 -21.631 -5.833 435 H1 G 201 H1 G 201 5.405 -27.816 -6.430 436 1H2 G 201 1H2 G 201 4.462 -28.951 -4.991 437 2H2 G 201 2H2 G 201 3.346 -28.322 -3.799 438 1H5* G 202 1H5* G 202 2.767 -19.972 -0.750 439 2H5* G 202 2H5* G 202 3.338 -18.589 0.184 440 H4* G 202 H4* G 202 4.758 -20.235 0.905 441 H3* G 202 H3* G 202 6.100 -18.834 -1.394 442 1H2* G 202 1H2* G 202 7.999 -20.209 -1.135 443 2HO* G 202 2HO* G 202 6.645 -21.155 1.224 444 H1* G 202 H1* G 202 6.510 -22.576 -0.797 445 H8 G 202 H8 G 202 5.616 -19.916 -3.399 446 H1 G 202 H1 G 202 8.945 -24.989 -5.650 447 1H2 G 202 1H2 G 202 9.458 -26.226 -4.083 448 2H2 G 202 2H2 G 202 9.048 -25.933 -2.408 449 1H5* A 203 1H5* A 203 8.338 -18.917 1.664 450 2H5* A 203 2H5* A 203 9.124 -17.594 2.525 451 H4* A 203 H4* A 203 10.919 -18.933 2.088 452 H3* A 203 H3* A 203 10.692 -16.972 -0.168 453 1H2* A 203 1H2* A 203 12.508 -17.952 -1.289 454 2HO* A 203 2HO* A 203 14.014 -19.026 -0.038 455 H1* A 203 H1* A 203 11.730 -20.612 -0.730 456 H8 A 203 H8 A 203 9.239 -17.942 -1.860 457 1H6 A 203 1H6 A 203 9.829 -20.473 -7.534 458 2H6 A 203 2H6 A 203 8.973 -19.264 -6.603 459 H2 A 203 H2 A 203 12.669 -22.520 -4.797 460 1H5* C 204 1H5* C 204 14.698 -17.242 0.999 461 2H5* C 204 2H5* C 204 15.604 -15.746 0.764 462 H4* C 204 H4* C 204 16.459 -17.656 -0.560 463 H3* C 204 H3* C 204 15.531 -15.156 -1.955 464 1H2* C 204 1H2* C 204 15.951 -16.093 -4.013 465 2HO* C 204 2HO* C 204 18.151 -16.390 -3.300 466 H1* C 204 H1* C 204 15.688 -18.846 -3.243 467 1H4 C 204 1H4 C 204 10.503 -17.855 -6.803 468 2H4 C 204 2H4 C 204 9.865 -16.758 -5.600 469 H5 C 204 H5 C 204 11.031 -16.123 -3.647 470 H6 C 204 H6 C 204 13.119 -16.389 -2.355 471 1H5* U 205 1H5* U 205 19.643 -15.170 -2.769 472 2H5* U 205 2H5* U 205 20.254 -13.630 -3.373 473 H4* U 205 H4* U 205 19.804 -15.388 -5.111 474 H3* U 205 H3* U 205 18.182 -12.839 -5.471 475 1H2* U 205 1H2* U 205 18.100 -13.523 -7.688 476 2HO* U 205 2HO* U 205 19.949 -14.616 -8.513 477 H1* U 205 H1* U 205 18.298 -16.300 -7.234 478 H3 U 205 H3 U 205 14.082 -16.228 -8.775 479 H5 U 205 H5 U 205 13.815 -14.004 -5.237 480 H6 U 205 H6 U 205 16.250 -14.216 -5.037 481 1H5* A 206 1H5* A 206 20.788 -12.373 -7.816 482 2H5* A 206 2H5* A 206 21.715 -10.932 -8.234 483 H4* A 206 H4* A 206 20.428 -11.379 -10.128 484 H3* A 206 H3* A 206 18.940 -9.272 -8.525 485 1H2* A 206 1H2* A 206 17.581 -9.006 -10.387 486 2HO* A 206 2HO* A 206 18.676 -9.926 -12.462 487 H1* A 206 H1* A 206 17.864 -11.708 -11.321 488 H8 A 206 H8 A 206 16.822 -10.875 -7.753 489 1H6 A 206 1H6 A 206 10.976 -11.841 -9.717 490 2H6 A 206 2H6 A 206 11.963 -11.505 -8.312 491 H2 A 206 H2 A 206 13.685 -12.103 -13.230 492 1H5* G 207 1H5* G 207 20.385 -7.745 -11.743 493 2H5* G 207 2H5* G 207 20.522 -6.036 -12.154 494 H4* G 207 H4* G 207 18.564 -7.004 -13.193 495 H3* G 207 H3* G 207 17.723 -5.168 -10.916 496 1H2* G 207 1H2* G 207 15.678 -5.160 -11.988 497 2HO* G 207 2HO* G 207 16.740 -6.007 -14.458 498 H1* G 207 H1* G 207 16.010 -7.662 -13.356 499 H8 G 207 H8 G 207 16.497 -7.315 -9.593 500 H1 G 207 H1 G 207 10.627 -9.340 -11.418 501 1H2 G 207 1H2 G 207 10.482 -9.271 -13.473 502 2H2 G 207 2H2 G 207 11.761 -8.743 -14.544 503 1H5* C 208 1H5* C 208 18.323 -1.522 -13.833 504 2H5* C 208 2H5* C 208 17.646 -0.257 -12.806 505 H4* C 208 H4* C 208 16.322 -1.798 -14.739 506 H3* C 208 H3* C 208 15.472 0.262 -12.729 507 1H2* C 208 1H2* C 208 13.374 -0.611 -12.692 508 2HO* C 208 2HO* C 208 12.608 0.201 -14.552 509 H1* C 208 H1* C 208 13.654 -2.883 -14.455 510 1H4 C 208 1H4 C 208 11.889 -5.521 -8.931 511 2H4 C 208 2H4 C 208 13.420 -5.072 -8.212 512 H5 C 208 H5 C 208 15.070 -3.796 -9.321 513 H6 C 208 H6 C 208 15.662 -2.625 -11.412 514 1H5* G 209 1H5* G 209 12.528 3.742 -16.057 515 2H5* G 209 2H5* G 209 13.160 3.792 -14.412 516 H4* G 209 H4* G 209 10.978 2.104 -15.568 517 H3* G 209 H3* G 209 11.298 3.861 -13.140 518 1H2* G 209 1H2* G 209 9.755 2.579 -11.983 519 2HO* G 209 2HO* G 209 7.996 1.996 -13.160 520 H1* G 209 H1* G 209 10.346 0.112 -13.324 521 H8 G 209 H8 G 209 13.044 2.267 -11.713 522 H1 G 209 H1 G 209 10.841 -2.575 -8.026 523 1H2 G 209 1H2 G 209 9.259 -3.498 -8.975 524 2H2 G 209 2H2 G 209 8.624 -3.030 -10.537 525 1H5* G 210 1H5* G 210 10.329 6.204 -11.621 526 2H5* G 210 2H5* G 210 9.704 4.639 -12.144 527 H4* G 210 H4* G 210 8.138 5.115 -10.583 528 H3* G 210 H3* G 210 7.169 6.024 -13.178 529 1H2* G 210 1H2* G 210 6.471 8.052 -12.309 530 2HO* G 210 2HO* G 210 4.346 7.601 -11.788 531 H1* G 210 H1* G 210 6.096 7.471 -9.499 532 H8 G 210 H8 G 210 9.168 8.218 -11.691 533 H1 G 210 H1 G 210 7.771 12.664 -7.200 534 1H2 G 210 1H2 G 210 6.098 12.078 -6.148 535 2H2 G 210 2H2 G 210 5.206 10.601 -6.437 536 1H5* A 211 1H5* A 211 7.581 3.233 -10.905 537 2H5* A 211 2H5* A 211 7.683 1.475 -11.002 538 H4* A 211 H4* A 211 6.601 1.677 -9.016 539 H3* A 211 H3* A 211 4.523 1.470 -11.144 540 1H2* A 211 1H2* A 211 3.392 2.990 -9.705 541 2HO* A 211 2HO* A 211 3.025 0.510 -8.341 542 H1* A 211 H1* A 211 4.567 1.501 -7.314 543 H8 A 211 H8 A 211 4.564 5.139 -8.534 544 1H6 A 211 1H6 A 211 1.851 6.442 -3.066 545 2H6 A 211 2H6 A 211 2.477 7.144 -4.542 546 H2 A 211 H2 A 211 2.415 2.042 -3.326 547 1H5* G 212 1H5* G 212 2.988 -3.578 -9.553 548 2H5* G 212 2H5* G 212 2.378 -2.997 -8.004 549 H4* G 212 H4* G 212 5.138 -3.587 -8.867 550 H3* G 212 H3* G 212 3.463 -3.985 -6.459 551 1H2* G 212 1H2* G 212 4.953 -2.945 -5.086 552 2HO* G 212 2HO* G 212 7.239 -4.099 -5.672 553 H1* G 212 H1* G 212 7.033 -2.568 -7.216 554 H8 G 212 H8 G 212 4.166 -0.454 -5.779 555 H1 G 212 H1 G 212 10.117 1.931 -4.901 556 1H2 G 212 1H2 G 212 11.506 0.620 -5.681 557 2H2 G 212 2H2 G 212 11.116 -0.899 -6.456 558 1H5* G 213 1H5* G 213 2.363 -5.130 -8.459 559 2H5* G 213 2H5* G 213 1.291 -6.502 -8.737 560 H4* G 213 H4* G 213 1.809 -5.752 -10.875 561 H3* G 213 H3* G 213 3.456 -8.139 -10.134 562 1H2* G 213 1H2* G 213 4.775 -7.959 -12.012 563 2HO* G 213 2HO* G 213 3.253 -6.324 -13.573 564 H1* G 213 H1* G 213 4.638 -5.182 -12.442 565 H8 G 213 H8 G 213 5.224 -6.708 -8.982 566 H1 G 213 H1 G 213 10.547 -4.685 -12.056 567 1H2 G 213 1H2 G 213 10.046 -4.040 -13.949 568 2H2 G 213 2H2 G 213 8.425 -4.047 -14.606 569 1H5* C 214 1H5* C 214 2.107 -8.936 -13.949 570 2H5* C 214 2H5* C 214 2.093 -10.660 -14.322 571 H4* C 214 H4* C 214 3.838 -9.391 -15.533 572 H3* C 214 H3* C 214 4.866 -11.505 -13.605 573 1H2* C 214 1H2* C 214 6.895 -11.327 -14.751 574 2HO* C 214 2HO* C 214 6.480 -11.367 -16.882 575 H1* C 214 H1* C 214 6.856 -8.596 -15.189 576 1H4 C 214 1H4 C 214 9.851 -8.836 -9.586 577 2H4 C 214 2H4 C 214 8.426 -9.494 -8.816 578 H5 C 214 H5 C 214 6.429 -10.012 -9.966 579 H6 C 214 H6 C 214 5.297 -10.025 -12.160 580 1H5* U 215 1H5* U 215 5.379 -13.005 -17.177 581 2H5* U 215 2H5* U 215 5.525 -14.739 -17.462 582 H4* U 215 H4* U 215 7.662 -13.529 -17.685 583 H3* U 215 H3* U 215 7.527 -15.563 -15.434 584 1H2* U 215 1H2* U 215 9.775 -15.218 -15.152 585 2HO* U 215 2HO* U 215 10.222 -14.312 -17.771 586 H1* U 215 H1* U 215 10.065 -12.681 -16.372 587 H3 U 215 H3 U 215 11.258 -11.517 -12.202 588 H5 U 215 H5 U 215 7.255 -12.660 -11.741 589 H6 U 215 H6 U 215 7.279 -13.333 -14.099 590 1H5* A 216 1H5* A 216 9.690 -16.914 -18.393 591 2H5* A 216 2H5* A 216 10.057 -18.589 -18.808 592 H4* A 216 H4* A 216 12.014 -17.479 -17.911 593 H3* A 216 H3* A 216 10.836 -19.714 -16.285 594 1H2* A 216 1H2* A 216 12.363 -19.381 -14.593 595 2HO* A 216 2HO* A 216 14.449 -19.051 -15.263 596 H1* A 216 H1* A 216 12.810 -16.565 -15.321 597 H8 A 216 H8 A 216 9.483 -17.824 -14.033 598 1H6 A 216 1H6 A 216 11.332 -15.773 -8.436 599 2H6 A 216 2H6 A 216 9.983 -16.442 -9.325 600 H2 A 216 H2 A 216 14.747 -15.395 -11.254 601 1H5* G 217 1H5* G 217 14.544 -20.605 -17.020 602 2H5* G 217 2H5* G 217 15.207 -22.238 -16.979 603 H4* G 217 H4* G 217 15.834 -21.317 -14.937 604 H3* G 217 H3* G 217 13.234 -22.766 -14.303 605 1H2* G 217 1H2* G 217 14.049 -22.745 -12.102 606 2HO* G 217 2HO* G 217 16.594 -21.926 -13.118 607 H1* G 217 H1* G 217 15.368 -20.205 -12.490 608 H8 G 217 H8 G 217 11.681 -20.749 -13.266 609 H1 G 217 H1 G 217 12.900 -18.258 -7.418 610 1H2 G 217 1H2 G 217 14.936 -18.235 -7.090 611 2H2 G 217 2H2 G 217 16.135 -18.804 -8.230 612 1H5* U 218 1H5* U 218 16.430 -24.963 -13.449 613 2H5* U 218 2H5* U 218 16.573 -26.716 -13.323 614 H4* U 218 H4* U 218 16.972 -25.907 -11.163 615 H3* U 218 H3* U 218 14.117 -26.889 -11.362 616 1H2* U 218 1H2* U 218 13.882 -26.513 -9.083 617 2HO* U 218 2HO* U 218 15.861 -27.779 -8.806 618 H1* U 218 H1* U 218 15.784 -24.325 -9.042 619 H3 U 218 H3 U 218 12.218 -22.303 -7.150 620 H5 U 218 H5 U 218 10.933 -23.083 -11.059 621 H6 U 218 H6 U 218 13.024 -24.318 -11.395 622 1H5* C 219 1H5* C 219 15.919 -29.585 -7.951 623 2H5* C 219 2H5* C 219 14.908 -30.996 -8.259 624 H4* C 219 H4* C 219 14.686 -30.125 -5.965 625 H3* C 219 H3* C 219 12.312 -30.305 -7.772 626 1H2* C 219 1H2* C 219 10.892 -29.319 -6.194 627 2HO* C 219 2HO* C 219 12.886 -29.260 -4.199 628 H1* C 219 H1* C 219 12.929 -27.473 -5.304 629 1H4 C 219 1H4 C 219 8.836 -23.733 -8.442 630 2H4 C 219 2H4 C 219 9.271 -24.502 -9.953 631 H5 C 219 H5 C 219 10.756 -26.330 -10.119 632 H6 C 219 H6 C 219 12.204 -27.888 -8.864 633 1H5* C 220 1H5* C 220 11.036 -33.251 -4.547 634 2H5* C 220 2H5* C 220 10.769 -34.734 -5.461 635 H4* C 220 H4* C 220 8.780 -34.392 -4.289 636 H3* C 220 H3* C 220 8.607 -33.759 -7.168 637 1H2* C 220 1H2* C 220 6.538 -32.670 -7.045 638 2HO* C 220 2HO* C 220 5.476 -32.914 -4.804 639 H1* C 220 H1* C 220 7.189 -31.376 -4.555 640 1H4 C 220 1H4 C 220 7.578 -26.512 -8.627 641 2H4 C 220 2H4 C 220 8.737 -27.380 -9.607 642 H5 C 220 H5 C 220 9.460 -29.581 -9.153 643 H6 C 220 H6 C 220 9.244 -31.512 -7.629 No H/Q in entry = 643 Start of MODEL 22 1 H MET 1 HN MET 1 4.266 -16.717 0.245 2 HA MET 1 HA MET 1 3.372 -16.806 2.577 3 1HB MET 1 2HB MET 1 5.948 -16.115 1.521 4 2HB MET 1 3HB MET 1 5.701 -15.043 2.886 5 1HG MET 1 2HG MET 1 6.646 -16.918 3.941 6 2HG MET 1 3HG MET 1 4.936 -17.233 4.158 7 1HE MET 1 2HE MET 1 4.169 -19.060 4.100 8 2HE MET 1 3HE MET 1 3.819 -19.843 2.540 9 3HE MET 1 1HE MET 1 5.014 -20.560 3.648 10 H GLN 2 HN GLN 2 4.624 -13.525 1.598 11 HA GLN 2 HA GLN 2 2.313 -12.262 2.576 12 1HB GLN 2 2HB GLN 2 3.527 -12.881 4.736 13 2HB GLN 2 3HB GLN 2 4.823 -11.809 4.244 14 1HG GLN 2 2HG GLN 2 3.642 -10.172 5.305 15 2HG GLN 2 3HG GLN 2 2.612 -10.177 3.888 16 1HE2 GLN 2 2HE2 GLN 2 1.457 -12.194 7.331 17 2HE2 GLN 2 1HE2 GLN 2 3.124 -11.962 6.925 18 H LYS 3 HN LYS 3 3.605 -12.256 0.099 19 HA LYS 3 HA LYS 3 4.223 -10.826 -1.471 20 1HB LYS 3 2HB LYS 3 3.391 -9.016 0.694 21 2HB LYS 3 3HB LYS 3 4.551 -8.303 -0.408 22 1HG LYS 3 2HG LYS 3 2.005 -9.735 -1.301 23 2HG LYS 3 3HG LYS 3 2.137 -7.998 -1.113 24 1HD LYS 3 2HD LYS 3 3.524 -7.751 -2.978 25 2HD LYS 3 3HD LYS 3 4.220 -9.351 -2.811 26 1HE LYS 3 2HE LYS 3 2.013 -10.347 -3.544 27 2HE LYS 3 3HE LYS 3 1.393 -8.726 -3.792 28 1HZ LYS 3 1HZ LYS 3 2.517 -8.569 -5.728 29 2HZ LYS 3 2HZ LYS 3 3.911 -9.140 -5.110 30 H GLY 4 HN GLY 4 6.160 -12.395 -0.881 31 1HA GLY 4 1HA GLY 4 8.412 -11.449 0.458 32 2HA GLY 4 2HA GLY 4 8.388 -12.663 -0.805 33 H ASN 5 HN ASN 5 6.959 -10.361 -2.512 34 HA ASN 5 HA ASN 5 9.125 -9.749 -4.034 35 1HB ASN 5 2HB ASN 5 6.513 -9.396 -4.396 36 2HB ASN 5 3HB ASN 5 6.812 -7.794 -3.748 37 1HD2 ASN 5 2HD2 ASN 5 8.057 -6.458 -6.677 38 2HD2 ASN 5 1HD2 ASN 5 7.405 -6.263 -5.084 39 H PHE 6 HN PHE 6 8.081 -8.460 -0.953 40 HA PHE 6 HA PHE 6 9.003 -5.853 -1.086 41 1HB PHE 6 2HB PHE 6 8.177 -7.905 0.850 42 2HB PHE 6 3HB PHE 6 9.534 -7.012 1.507 43 HD1 PHE 6 HD2 PHE 6 7.024 -5.531 -0.755 44 HD2 PHE 6 HD1 PHE 6 8.340 -5.929 3.260 45 HE1 PHE 6 HE2 PHE 6 5.474 -3.684 -0.064 46 HE2 PHE 6 HE1 PHE 6 6.789 -4.080 3.951 47 HZ PHE 6 HZ PHE 6 5.374 -2.980 2.281 48 H ARG 7 HN ARG 7 10.770 -8.809 -1.286 49 HA ARG 7 HA ARG 7 13.044 -8.170 0.103 50 1HB ARG 7 2HB ARG 7 14.162 -9.850 -1.372 51 2HB ARG 7 3HB ARG 7 12.602 -10.423 -0.817 52 1HG ARG 7 2HG ARG 7 11.696 -9.335 -3.060 53 2HG ARG 7 3HG ARG 7 13.371 -9.413 -3.570 54 1HD ARG 7 2HD ARG 7 13.120 -11.613 -4.067 55 2HD ARG 7 3HD ARG 7 12.761 -11.956 -2.386 56 HE ARG 7 HE ARG 7 10.351 -11.018 -3.220 57 1HH1 ARG 7 2HH2 ARG 7 12.546 -13.351 -4.735 58 2HH1 ARG 7 1HH2 ARG 7 11.275 -14.223 -5.524 59 HH2 ARG 7 HH1 ARG 7 9.005 -13.510 -5.232 60 H ASN 8 HN ASN 8 11.671 -6.615 -2.614 61 HA ASN 8 HA ASN 8 13.782 -6.039 -4.219 62 1HB ASN 8 2HB ASN 8 12.510 -3.944 -4.799 63 2HB ASN 8 3HB ASN 8 11.470 -5.354 -4.747 64 1HD2 ASN 8 2HD2 ASN 8 10.292 -2.227 -2.771 65 2HD2 ASN 8 1HD2 ASN 8 11.180 -2.354 -4.252 66 H GLN 9 HN GLN 9 13.163 -5.120 -0.908 67 HA GLN 9 HA GLN 9 14.436 -2.655 -0.848 68 1HB GLN 9 2HB GLN 9 14.043 -4.769 1.311 69 2HB GLN 9 3HB GLN 9 14.666 -3.165 1.637 70 1HG GLN 9 2HG GLN 9 12.601 -2.127 0.799 71 2HG GLN 9 3HG GLN 9 11.988 -3.679 0.263 72 1HE2 GLN 9 2HE2 GLN 9 11.321 -4.957 3.553 73 2HE2 GLN 9 1HE2 GLN 9 11.937 -5.409 1.999 74 H ARG 10 HN ARG 10 15.692 -5.698 -1.618 75 HA ARG 10 HA ARG 10 18.162 -5.448 -0.270 76 1HB ARG 10 2HB ARG 10 18.807 -7.443 -1.518 77 2HB ARG 10 3HB ARG 10 17.136 -7.640 -1.029 78 1HG ARG 10 2HG ARG 10 16.322 -7.072 -3.243 79 2HG ARG 10 3HG ARG 10 17.899 -6.500 -3.751 80 1HD ARG 10 2HD ARG 10 17.207 -9.392 -3.041 81 2HD ARG 10 3HD ARG 10 17.427 -8.768 -4.663 82 HE ARG 10 HE ARG 10 19.535 -9.421 -2.749 83 1HH1 ARG 10 2HH2 ARG 10 18.750 -7.446 -5.583 84 2HH1 ARG 10 1HH2 ARG 10 20.401 -7.285 -6.083 85 HH2 ARG 10 HH1 ARG 10 22.126 -8.328 -4.788 86 H LYS 11 HN LYS 11 16.788 -3.717 -2.790 87 HA LYS 11 HA LYS 11 19.432 -3.147 -3.931 88 1HB LYS 11 2HB LYS 11 18.117 -4.449 -5.535 89 2HB LYS 11 3HB LYS 11 16.790 -3.312 -5.412 90 1HG LYS 11 2HG LYS 11 17.995 -1.579 -6.501 91 2HG LYS 11 3HG LYS 11 19.552 -2.305 -6.154 92 1HD LYS 11 2HD LYS 11 19.381 -2.949 -8.366 93 2HD LYS 11 3HD LYS 11 18.544 -4.311 -7.649 94 1HE LYS 11 2HE LYS 11 17.084 -3.581 -9.385 95 2HE LYS 11 3HE LYS 11 16.365 -2.936 -7.923 96 1HZ LYS 11 1HZ LYS 11 17.209 -0.790 -8.412 97 2HZ LYS 11 2HZ LYS 11 18.253 -1.326 -9.541 98 H THR 12 HN THR 12 18.390 -1.897 -1.611 99 HA THR 12 HA THR 12 17.544 0.055 -0.819 100 HB THR 12 HB THR 12 20.052 0.243 -1.601 101 HG1 THR 12 HG1 THR 12 18.074 2.335 -1.121 102 1HG2 THR 12 3HG2 THR 12 18.777 1.130 -3.983 103 2HG2 THR 12 1HG2 THR 12 19.335 2.612 -3.171 104 3HG2 THR 12 2HG2 THR 12 20.497 1.322 -3.568 105 H VAL 13 HN VAL 13 15.598 -0.900 -2.475 106 HA VAL 13 HA VAL 13 14.809 0.415 -4.659 107 HB VAL 13 HB VAL 13 12.467 0.173 -3.735 108 1HG1 VAL 13 1HG1 VAL 13 14.489 -1.908 -4.223 109 2HG1 VAL 13 2HG1 VAL 13 13.080 -2.474 -3.296 110 3HG1 VAL 13 3HG1 VAL 13 12.850 -1.718 -4.891 111 1HG2 VAL 13 1HG2 VAL 13 14.040 -0.759 -1.321 112 2HG2 VAL 13 2HG2 VAL 13 12.761 0.476 -1.400 113 3HG2 VAL 13 3HG2 VAL 13 12.353 -1.242 -1.620 114 H LYS 14 HN LYS 14 13.443 2.302 -5.107 115 HA LYS 14 HA LYS 14 14.026 4.449 -3.194 116 1HB LYS 14 2HB LYS 14 14.194 5.940 -4.983 117 2HB LYS 14 3HB LYS 14 15.002 4.497 -5.562 118 1HG LYS 14 2HG LYS 14 12.389 3.996 -6.334 119 2HG LYS 14 3HG LYS 14 12.458 5.740 -6.483 120 1HD LYS 14 2HD LYS 14 14.851 4.361 -7.577 121 2HD LYS 14 3HD LYS 14 13.360 3.931 -8.393 122 1HE LYS 14 2HE LYS 14 13.086 6.685 -8.158 123 2HE LYS 14 3HE LYS 14 14.820 6.523 -8.365 124 1HZ LYS 14 1HZ LYS 14 12.724 5.506 -10.201 125 2HZ LYS 14 2HZ LYS 14 13.855 6.631 -10.530 126 H CYS 15 HN CYS 15 12.372 5.745 -2.400 127 HA CYS 15 HA CYS 15 9.776 4.578 -2.560 128 1HB CYS 15 2HB CYS 15 10.669 5.515 -0.453 129 2HB CYS 15 3HB CYS 15 10.699 7.114 -1.169 130 H PHE 16 HN PHE 16 8.422 4.980 -4.274 131 HA PHE 16 HA PHE 16 8.929 7.214 -5.988 132 1HB PHE 16 2HB PHE 16 6.935 4.906 -5.747 133 2HB PHE 16 3HB PHE 16 6.653 6.162 -6.937 134 HD1 PHE 16 HD1 PHE 16 9.362 6.713 -7.928 135 HD2 PHE 16 HD2 PHE 16 7.520 3.015 -6.954 136 HE1 PHE 16 HE1 PHE 16 10.884 5.532 -9.536 137 HE2 PHE 16 HE2 PHE 16 9.042 1.834 -8.562 138 HZ PHE 16 HZ PHE 16 10.706 3.106 -9.834 139 H ASN 17 HN ASN 17 7.741 7.286 -2.991 140 HA ASN 17 HA ASN 17 5.410 8.878 -3.665 141 1HB ASN 17 2HB ASN 17 5.481 6.962 -1.837 142 2HB ASN 17 3HB ASN 17 6.301 8.151 -0.844 143 1HD2 ASN 17 2HD2 ASN 17 3.149 9.078 0.326 144 2HD2 ASN 17 1HD2 ASN 17 4.672 8.313 0.636 145 H CYS 18 HN CYS 18 8.315 8.840 -1.455 146 HA CYS 18 HA CYS 18 8.163 11.739 -1.298 147 1HB CYS 18 2HB CYS 18 9.822 11.519 0.516 148 2HB CYS 18 3HB CYS 18 8.368 10.592 0.829 149 H GLY 19 HN GLY 19 10.271 8.986 -2.300 150 1HA GLY 19 1HA GLY 19 11.590 9.143 -4.256 151 2HA GLY 19 2HA GLY 19 11.786 10.864 -3.990 152 H LYS 20 HN LYS 20 12.019 8.453 -1.356 153 HA LYS 20 HA LYS 20 14.891 9.061 -1.220 154 1HB LYS 20 2HB LYS 20 12.787 9.324 0.737 155 2HB LYS 20 3HB LYS 20 13.963 8.153 1.298 156 1HG LYS 20 2HG LYS 20 15.717 9.708 1.333 157 2HG LYS 20 3HG LYS 20 15.011 10.700 0.073 158 1HD LYS 20 2HD LYS 20 14.027 12.040 1.614 159 2HD LYS 20 3HD LYS 20 13.187 10.672 2.317 160 1HE LYS 20 2HE LYS 20 14.469 11.317 4.150 161 2HE LYS 20 3HE LYS 20 15.570 10.166 3.421 162 1HZ LYS 20 1HZ LYS 20 16.745 12.210 3.867 163 2HZ LYS 20 2HZ LYS 20 16.622 12.077 2.248 164 H GLU 21 HN GLU 21 16.348 7.357 -0.975 165 HA GLU 21 HA GLU 21 15.258 4.823 -1.731 166 1HB GLU 21 2HB GLU 21 17.970 6.083 -1.614 167 2HB GLU 21 3HB GLU 21 17.922 4.341 -1.437 168 1HG GLU 21 2HG GLU 21 17.291 4.000 -3.619 169 2HG GLU 21 3HG GLU 21 16.183 5.358 -3.619 170 HE1 GLU 21 HE2 GLU 21 19.555 4.693 -3.528 171 H GLY 22 HN GLY 22 15.303 2.896 -0.492 172 1HA GLY 22 1HA GLY 22 16.382 1.863 1.513 173 2HA GLY 22 2HA GLY 22 15.900 3.310 2.376 174 H HIS 23 HN HIS 23 13.339 3.495 0.682 175 HA HIS 23 HA HIS 23 11.926 1.118 1.494 176 1HB HIS 23 2HB HIS 23 10.411 2.125 2.975 177 2HB HIS 23 3HB HIS 23 11.995 2.663 3.499 178 HD1 HIS 23 HD1 HIS 23 12.555 5.190 3.281 179 HD2 HIS 23 HD2 HIS 23 8.748 4.152 1.858 180 HE1 HIS 23 HE1 HIS 23 11.299 7.384 2.934 181 H ILE 24 HN ILE 24 9.693 1.077 0.576 182 HA ILE 24 HA ILE 24 9.626 2.723 -1.850 183 HB ILE 24 HB ILE 24 8.352 0.982 -2.862 184 1HG1 ILE 24 2HG1 ILE 24 8.436 -0.531 -0.236 185 2HG1 ILE 24 3HG1 ILE 24 7.049 0.376 -0.806 186 1HG2 ILE 24 1HG2 ILE 24 10.982 0.791 -2.266 187 2HG2 ILE 24 2HG2 ILE 24 10.385 -0.728 -1.558 188 3HG2 ILE 24 3HG2 ILE 24 10.101 -0.376 -3.279 189 1HD1 ILE 24 2HD1 ILE 24 8.364 -1.819 -2.462 190 2HD1 ILE 24 3HD1 ILE 24 7.011 -2.119 -1.344 191 3HD1 ILE 24 1HD1 ILE 24 6.787 -1.043 -2.746 192 H ALA 25 HN ALA 25 7.391 3.354 -2.612 193 HA ALA 25 HA ALA 25 6.138 4.931 -0.780 194 1HB ALA 25 1HB ALA 25 5.116 3.581 -3.305 195 2HB ALA 25 2HB ALA 25 4.200 4.830 -2.426 196 3HB ALA 25 3HB ALA 25 5.784 5.222 -3.137 197 H LYS 26 HN LYS 26 5.642 1.456 -1.484 198 HA LYS 26 HA LYS 26 3.234 1.164 -0.106 199 1HB LYS 26 2HB LYS 26 5.422 -0.899 -0.489 200 2HB LYS 26 3HB LYS 26 3.730 -1.211 -0.158 201 1HG LYS 26 2HG LYS 26 4.288 0.533 -2.529 202 2HG LYS 26 3HG LYS 26 4.789 -1.140 -2.680 203 1HD LYS 26 2HD LYS 26 2.205 -1.261 -1.514 204 2HD LYS 26 3HD LYS 26 2.087 -0.009 -2.735 205 1HE LYS 26 2HE LYS 26 3.115 -1.604 -4.411 206 2HE LYS 26 3HE LYS 26 3.110 -2.855 -3.184 207 1HZ LYS 26 1HZ LYS 26 0.684 -2.634 -3.048 208 2HZ LYS 26 2HZ LYS 26 0.681 -1.455 -4.170 209 H ASN 27 HN ASN 27 6.678 0.911 0.961 210 HA ASN 27 HA ASN 27 5.766 0.461 3.647 211 1HB ASN 27 2HB ASN 27 8.552 0.704 2.399 212 2HB ASN 27 3HB ASN 27 8.299 0.436 4.112 213 1HD2 ASN 27 2HD2 ASN 27 8.527 -2.672 1.700 214 2HD2 ASN 27 1HD2 ASN 27 9.182 -1.084 1.477 215 H CYS 28 HN CYS 28 5.594 3.090 1.851 216 HA CYS 28 HA CYS 28 7.198 4.908 3.410 217 1HB CYS 28 2HB CYS 28 6.917 5.180 0.941 218 2HB CYS 28 3HB CYS 28 5.214 5.509 1.191 219 H ARG 29 HN ARG 29 6.385 6.250 5.048 220 HA ARG 29 HA ARG 29 3.837 5.503 6.053 221 1HB ARG 29 2HB ARG 29 5.877 6.007 7.490 222 2HB ARG 29 3HB ARG 29 5.738 7.693 7.031 223 1HG ARG 29 2HG ARG 29 4.451 7.837 8.926 224 2HG ARG 29 3HG ARG 29 3.178 7.262 7.868 225 1HD ARG 29 2HD ARG 29 4.917 5.167 9.148 226 2HD ARG 29 3HD ARG 29 3.810 6.024 10.202 227 HE ARG 29 HE ARG 29 2.402 5.215 7.834 228 1HH1 ARG 29 2HH2 ARG 29 3.805 3.835 10.780 229 2HH1 ARG 29 1HH2 ARG 29 2.717 2.488 10.815 230 HH2 ARG 29 HH1 ARG 29 1.057 2.274 9.100 231 H ALA 30 HN ALA 30 5.211 8.053 4.058 232 HA ALA 30 HA ALA 30 3.355 10.087 4.598 233 1HB ALA 30 2HB ALA 30 5.084 9.425 2.185 234 2HB ALA 30 3HB ALA 30 4.143 10.928 2.345 235 3HB ALA 30 1HB ALA 30 5.448 10.567 3.500 236 HA PRO 31 HA PRO 31 -0.135 8.736 2.434 237 1HB PRO 31 2HB PRO 31 -1.303 11.087 1.676 238 2HB PRO 31 3HB PRO 31 -1.434 10.431 3.295 239 1HG PRO 31 2HG PRO 31 0.215 12.691 2.338 240 2HG PRO 31 3HG PRO 31 -0.256 12.293 3.978 241 1HD PRO 31 2HD PRO 31 2.310 11.853 2.774 242 2HD PRO 31 3HD PRO 31 1.803 11.351 4.376 243 H ARG 32 HN ARG 32 -1.194 8.323 0.420 244 HA ARG 32 HA ARG 32 0.634 8.111 -1.602 245 1HB ARG 32 2HB ARG 32 -2.406 8.286 -1.909 246 2HB ARG 32 3HB ARG 32 -1.301 7.517 -3.032 247 1HG ARG 32 2HG ARG 32 -1.024 6.530 -0.247 248 2HG ARG 32 3HG ARG 32 -2.612 6.242 -0.930 249 1HD ARG 32 2HD ARG 32 -1.485 4.331 -1.670 250 2HD ARG 32 3HD ARG 32 -1.243 5.388 -3.046 251 HE ARG 32 HE ARG 32 1.039 5.311 -2.600 252 1HH1 ARG 32 2HH2 ARG 32 -0.687 4.751 0.443 253 2HH1 ARG 32 1HH2 ARG 32 0.760 4.512 1.364 254 HH2 ARG 32 HH1 ARG 32 2.887 4.659 0.269 255 H LYS 33 HN LYS 33 1.669 9.873 -2.525 256 HA LYS 33 HA LYS 33 -0.074 11.989 -3.559 257 1HB LYS 33 2HB LYS 33 1.522 13.685 -2.887 258 2HB LYS 33 3HB LYS 33 0.963 12.795 -1.485 259 1HG LYS 33 2HG LYS 33 3.055 11.311 -1.740 260 2HG LYS 33 3HG LYS 33 3.627 12.462 -2.932 261 1HD LYS 33 2HD LYS 33 2.760 13.968 -0.636 262 2HD LYS 33 3HD LYS 33 3.751 12.648 -0.048 263 1HE LYS 33 2HE LYS 33 5.386 13.360 -2.019 264 2HE LYS 33 3HE LYS 33 4.509 14.875 -1.959 265 1HZ LYS 33 1HZ LYS 33 6.522 14.026 -0.217 266 2HZ LYS 33 2HZ LYS 33 5.687 15.422 -0.144 267 H LYS 34 HN LYS 34 1.659 13.464 -5.022 268 HA LYS 34 HA LYS 34 3.329 11.636 -6.536 269 1HB LYS 34 2HB LYS 34 1.034 11.458 -7.513 270 2HB LYS 34 3HB LYS 34 1.076 13.175 -7.859 271 1HG LYS 34 2HG LYS 34 2.318 12.839 -9.729 272 2HG LYS 34 3HG LYS 34 3.530 11.948 -8.829 273 1HD LYS 34 2HD LYS 34 2.420 9.857 -9.156 274 2HD LYS 34 3HD LYS 34 0.900 10.624 -9.576 275 1HE LYS 34 2HE LYS 34 3.438 10.808 -11.269 276 2HE LYS 34 3HE LYS 34 2.138 9.670 -11.565 277 1HZ LYS 34 1HZ LYS 34 1.740 11.577 -12.922 278 2HZ LYS 34 2HZ LYS 34 0.635 11.670 -11.730 279 H GLY 35 HN GLY 35 4.379 13.436 -4.860 280 1HA GLY 35 1HA GLY 35 4.747 15.975 -6.249 281 2HA GLY 35 2HA GLY 35 5.314 15.538 -4.649 282 H CYS 36 HN CYS 36 6.392 16.306 -7.670 283 HA CYS 36 HA CYS 36 8.227 14.327 -8.293 284 1HB CYS 36 2HB CYS 36 7.745 15.935 -9.958 285 2HB CYS 36 3HB CYS 36 8.109 17.284 -8.900 286 H TRP 37 HN TRP 37 9.997 13.637 -7.141 287 HA TRP 37 HA TRP 37 10.887 15.216 -4.899 288 1HB TRP 37 2HB TRP 37 12.491 12.888 -5.419 289 2HB TRP 37 3HB TRP 37 11.473 13.268 -4.044 290 HD1 TRP 37 HD1 TRP 37 8.706 12.619 -4.481 291 HE1 TRP 37 HE1 TRP 37 7.611 10.522 -5.650 292 HE3 TRP 37 HE3 TRP 37 12.838 11.276 -7.122 293 HZ2 TRP 37 HZ2 TRP 37 8.575 8.581 -7.506 294 HZ3 TRP 37 HZ3 TRP 37 12.677 9.267 -8.589 295 HH2 TRP 37 HH2 TRP 37 10.638 7.936 -8.805 296 H LYS 38 HN LYS 38 11.219 16.559 -7.393 297 HA LYS 38 HA LYS 38 14.142 16.605 -7.507 298 1HB LYS 38 2HB LYS 38 12.613 15.497 -9.526 299 2HB LYS 38 3HB LYS 38 12.832 17.144 -10.081 300 1HG LYS 38 2HG LYS 38 14.730 15.968 -10.924 301 2HG LYS 38 3HG LYS 38 15.340 16.860 -9.545 302 1HD LYS 38 2HD LYS 38 14.338 14.315 -8.601 303 2HD LYS 38 3HD LYS 38 15.378 14.014 -9.978 304 1HE LYS 38 2HE LYS 38 16.828 15.930 -8.562 305 2HE LYS 38 3HE LYS 38 16.077 15.012 -7.272 306 1HZ LYS 38 1HZ LYS 38 17.154 13.327 -9.339 307 2HZ LYS 38 2HZ LYS 38 18.302 14.245 -8.639 308 H CYS 39 HN CYS 39 11.020 18.234 -8.357 309 HA CYS 39 HA CYS 39 12.406 20.771 -7.901 310 1HB CYS 39 2HB CYS 39 10.488 21.781 -9.180 311 2HB CYS 39 3HB CYS 39 11.542 20.743 -10.119 312 H GLY 40 HN GLY 40 9.710 18.600 -7.042 313 1HA GLY 40 1HA GLY 40 8.787 18.547 -4.898 314 2HA GLY 40 2HA GLY 40 9.216 20.228 -4.652 315 H LYS 41 HN LYS 41 7.814 19.302 -7.760 316 HA LYS 41 HA LYS 41 5.439 20.835 -7.045 317 1HB LYS 41 2HB LYS 41 7.112 20.849 -9.272 318 2HB LYS 41 3HB LYS 41 5.692 19.990 -9.831 319 1HG LYS 41 2HG LYS 41 4.225 21.816 -9.253 320 2HG LYS 41 3HG LYS 41 5.458 22.602 -8.285 321 1HD LYS 41 2HD LYS 41 5.350 23.812 -10.368 322 2HD LYS 41 3HD LYS 41 6.840 22.891 -10.406 323 1HE LYS 41 2HE LYS 41 6.036 21.376 -12.008 324 2HE LYS 41 3HE LYS 41 4.363 21.590 -11.534 325 1HZ LYS 41 1HZ LYS 41 5.869 23.805 -12.791 326 2HZ LYS 41 2HZ LYS 41 5.105 22.689 -13.700 327 H GLU 42 HN GLU 42 3.463 19.914 -6.756 328 HA GLU 42 HA GLU 42 3.389 17.047 -6.947 329 1HB GLU 42 2HB GLU 42 1.267 17.245 -5.707 330 2HB GLU 42 3HB GLU 42 2.533 18.160 -4.912 331 1HG GLU 42 2HG GLU 42 1.203 19.993 -5.013 332 2HG GLU 42 3HG GLU 42 1.382 19.980 -6.757 333 HE2 GLU 42 HE2 GLU 42 -2.123 19.745 -6.445 334 H GLY 43 HN GLY 43 2.686 16.030 -8.769 335 1HA GLY 43 1HA GLY 43 0.417 16.074 -10.055 336 2HA GLY 43 2HA GLY 43 1.084 17.566 -10.686 337 H HIS 44 HN HIS 44 3.778 17.068 -11.036 338 HA HIS 44 HA HIS 44 3.671 14.975 -13.063 339 1HB HIS 44 2HB HIS 44 5.394 16.119 -14.197 340 2HB HIS 44 3HB HIS 44 4.247 17.343 -13.688 341 HD1 HIS 44 HD1 HIS 44 5.056 19.142 -12.034 342 HD2 HIS 44 HD2 HIS 44 7.898 16.149 -12.782 343 HE1 HIS 44 HE1 HIS 44 7.248 19.970 -11.024 344 H GLN 45 HN GLN 45 6.104 14.041 -13.420 345 HA GLN 45 HA GLN 45 7.091 13.364 -10.764 346 1HB GLN 45 2HB GLN 45 7.227 11.048 -11.293 347 2HB GLN 45 3HB GLN 45 5.639 11.540 -11.845 348 1HG GLN 45 2HG GLN 45 7.263 12.051 -14.073 349 2HG GLN 45 3HG GLN 45 7.955 10.584 -13.411 350 1HE2 GLN 45 2HE2 GLN 45 5.542 8.515 -14.741 351 2HE2 GLN 45 1HE2 GLN 45 7.154 8.795 -14.174 352 H MET 46 HN MET 46 9.390 12.385 -10.887 353 HA MET 46 HA MET 46 11.055 14.175 -12.075 354 1HB MET 46 2HB MET 46 11.848 12.734 -10.287 355 2HB MET 46 3HB MET 46 11.414 11.280 -11.162 356 1HG MET 46 2HG MET 46 13.881 11.697 -11.207 357 2HG MET 46 3HG MET 46 13.194 11.676 -12.818 358 1HE MET 46 1HE MET 46 15.541 12.586 -13.181 359 2HE MET 46 2HE MET 46 14.610 13.514 -14.380 360 3HE MET 46 3HE MET 46 15.826 14.333 -13.371 361 H LYS 47 HN LYS 47 9.835 11.030 -13.331 362 HA LYS 47 HA LYS 47 11.505 10.750 -15.497 363 1HB LYS 47 2HB LYS 47 9.959 9.026 -14.723 364 2HB LYS 47 3HB LYS 47 8.583 9.998 -15.200 365 1HG LYS 47 2HG LYS 47 9.585 9.995 -17.588 366 2HG LYS 47 3HG LYS 47 10.692 8.762 -17.019 367 1HD LYS 47 2HD LYS 47 8.867 7.549 -17.973 368 2HD LYS 47 3HD LYS 47 8.625 7.432 -16.241 369 1HE LYS 47 2HE LYS 47 6.477 8.050 -16.943 370 2HE LYS 47 3HE LYS 47 7.160 9.619 -16.559 371 1HZ LYS 47 1HZ LYS 47 7.856 9.630 -19.027 372 2HZ LYS 47 2HZ LYS 47 6.778 8.428 -19.234 373 H ASP 48 HN ASP 48 8.816 12.996 -14.937 374 HA ASP 48 HA ASP 48 9.387 14.082 -17.580 375 1HB ASP 48 2HB ASP 48 6.715 13.762 -16.153 376 2HB ASP 48 3HB ASP 48 6.922 14.903 -17.467 377 HD2 ASP 48 HD2 ASP 48 6.068 14.108 -19.124 378 H CYS 49 HN CYS 49 10.757 14.860 -15.214 379 HA CYS 49 HA CYS 49 9.538 16.828 -13.711 380 1HB CYS 49 2HB CYS 49 11.698 15.721 -13.160 381 2HB CYS 49 3HB CYS 49 12.477 16.621 -14.446 382 H THR 50 HN THR 50 8.568 18.662 -14.510 383 HA THR 50 HA THR 50 9.355 19.719 -17.064 384 HB THR 50 HB THR 50 6.979 19.599 -16.277 385 HG1 THR 50 HG1 THR 50 7.268 21.317 -17.702 386 1HG2 THR 50 1HG2 THR 50 7.989 21.637 -14.225 387 2HG2 THR 50 2HG2 THR 50 6.270 21.391 -14.617 388 3HG2 THR 50 3HG2 THR 50 7.210 20.076 -13.873 389 H GLU 51 HN GLU 51 10.726 19.918 -14.015 390 HA GLU 51 HA GLU 51 11.856 21.481 -12.930 391 1HB GLU 51 2HB GLU 51 13.821 22.307 -14.296 392 2HB GLU 51 3HB GLU 51 13.551 20.577 -14.389 393 1HG GLU 51 2HG GLU 51 12.269 20.931 -16.540 394 2HG GLU 51 3HG GLU 51 12.653 22.639 -16.458 395 HE2 GLU 51 HE2 GLU 51 13.627 20.994 -18.552 396 H ARG 52 HN ARG 52 9.707 22.802 -12.847 397 HA ARG 52 HA ARG 52 10.220 25.337 -14.185 398 1HB ARG 52 2HB ARG 52 7.842 23.672 -14.158 399 2HB ARG 52 3HB ARG 52 7.467 25.180 -13.348 400 1HG ARG 52 2HG ARG 52 8.359 26.456 -15.306 401 2HG ARG 52 3HG ARG 52 8.743 24.951 -16.116 402 1HD ARG 52 2HD ARG 52 6.545 24.532 -16.681 403 2HD ARG 52 3HD ARG 52 5.927 25.134 -15.155 404 HE ARG 52 HE ARG 52 6.746 27.457 -16.302 405 1HH1 ARG 52 1HH2 ARG 52 4.011 25.773 -18.773 406 2HH1 ARG 52 2HH2 ARG 52 4.874 24.770 -17.656 407 HH2 ARG 52 HH1 ARG 52 4.458 28.127 -18.827 408 H GLN 53 HN GLN 53 8.671 23.730 -11.315 409 HA GLN 53 HA GLN 53 8.410 24.344 -9.250 410 1HB GLN 53 2HB GLN 53 11.074 25.420 -9.975 411 2HB GLN 53 3HB GLN 53 10.365 26.198 -8.575 412 1HG GLN 53 2HG GLN 53 9.843 23.436 -8.204 413 2HG GLN 53 3HG GLN 53 11.480 23.498 -8.826 414 1HE2 GLN 53 2HE2 GLN 53 12.568 23.951 -5.553 415 2HE2 GLN 53 1HE2 GLN 53 12.496 22.954 -6.967 416 H ALA 54 HN ALA 54 6.412 25.459 -10.220 417 HA ALA 54 HA ALA 54 6.424 28.210 -9.286 418 1HB ALA 54 3HB ALA 54 6.828 27.820 -11.933 419 2HB ALA 54 1HB ALA 54 5.050 27.748 -11.895 420 3HB ALA 54 2HB ALA 54 5.894 29.192 -11.286 421 H ASN 55 HN ASN 55 4.342 28.907 -8.573 422 HA ASN 55 HA ASN 55 2.236 26.941 -8.831 423 1HB ASN 55 2HB ASN 55 1.728 27.244 -6.336 424 2HB ASN 55 3HB ASN 55 3.185 26.333 -6.680 425 1HD2 ASN 55 2HD2 ASN 55 5.260 28.390 -4.853 426 2HD2 ASN 55 1HD2 ASN 55 4.885 26.850 -5.553 427 1H5* G 201 1H5* G 201 -0.946 -16.302 -8.707 428 2H5* G 201 2H5* G 201 0.692 -15.680 -8.508 429 H4* G 201 H4* G 201 -0.276 -18.309 -8.063 430 H3* G 201 H3* G 201 2.654 -17.531 -8.082 431 1H2* G 201 1H2* G 201 2.737 -19.329 -6.551 432 2HO* G 201 2HO* G 201 1.118 -18.723 -5.158 433 H1* G 201 H1* G 201 0.783 -20.847 -7.841 434 H8 G 201 H8 G 201 3.429 -18.757 -9.672 435 H1 G 201 H1 G 201 4.587 -25.118 -9.410 436 1H2 G 201 1H2 G 201 3.113 -26.042 -8.303 437 2H2 G 201 2H2 G 201 1.764 -25.215 -7.555 438 1H5* G 202 1H5* G 202 1.790 -17.122 -4.015 439 2H5* G 202 2H5* G 202 2.628 -15.769 -3.256 440 H4* G 202 H4* G 202 3.184 -17.672 -1.992 441 H3* G 202 H3* G 202 5.403 -16.756 -3.783 442 1H2* G 202 1H2* G 202 6.785 -18.526 -3.121 443 2HO* G 202 2HO* G 202 4.770 -18.860 -1.089 444 H1* G 202 H1* G 202 4.748 -20.478 -3.080 445 H8 G 202 H8 G 202 5.087 -17.898 -5.884 446 H1 G 202 H1 G 202 7.594 -23.725 -7.164 447 1H2 G 202 1H2 G 202 7.453 -24.919 -5.489 448 2H2 G 202 2H2 G 202 6.759 -24.416 -3.964 449 1H5* A 203 1H5* A 203 7.404 -18.234 0.336 450 2H5* A 203 2H5* A 203 8.059 -16.626 0.644 451 H4* A 203 H4* A 203 9.851 -18.123 0.921 452 H3* A 203 H3* A 203 9.961 -16.494 -1.555 453 1H2* A 203 1H2* A 203 11.786 -17.663 -2.463 454 2HO* A 203 2HO* A 203 12.557 -19.412 -0.721 455 H1* A 203 H1* A 203 10.798 -20.219 -1.742 456 H8 A 203 H8 A 203 8.574 -17.532 -3.301 457 1H6 A 203 1H6 A 203 9.468 -20.579 -8.673 458 2H6 A 203 2H6 A 203 8.611 -19.251 -7.922 459 H2 A 203 H2 A 203 11.959 -22.517 -5.545 460 1H5* C 204 1H5* C 204 13.775 -16.902 -0.083 461 2H5* C 204 2H5* C 204 14.809 -15.479 -0.213 462 H4* C 204 H4* C 204 15.846 -17.250 -1.416 463 H3* C 204 H3* C 204 14.625 -15.150 -3.205 464 1H2* C 204 1H2* C 204 15.503 -16.244 -5.076 465 2HO* C 204 2HO* C 204 17.045 -17.652 -3.089 466 H1* C 204 H1* C 204 15.057 -18.864 -4.096 467 1H4 C 204 1H4 C 204 10.149 -18.048 -8.064 468 2H4 C 204 2H4 C 204 9.493 -16.795 -7.033 469 H5 C 204 H5 C 204 10.561 -16.005 -5.080 470 H6 C 204 H6 C 204 12.541 -16.225 -3.622 471 1H5* U 205 1H5* U 205 18.872 -14.952 -2.618 472 2H5* U 205 2H5* U 205 19.898 -13.533 -2.821 473 H4* U 205 H4* U 205 20.623 -15.023 -4.462 474 H3* U 205 H3* U 205 18.889 -12.863 -5.570 475 1H2* U 205 1H2* U 205 18.897 -13.795 -7.724 476 2HO* U 205 2HO* U 205 20.803 -14.705 -8.228 477 H1* U 205 H1* U 205 18.700 -16.484 -6.686 478 H3 U 205 H3 U 205 14.995 -16.465 -9.239 479 H5 U 205 H5 U 205 14.195 -13.509 -6.383 480 H6 U 205 H6 U 205 16.483 -13.823 -5.561 481 1H5* A 206 1H5* A 206 21.054 -12.726 -7.964 482 2H5* A 206 2H5* A 206 21.862 -11.346 -8.707 483 H4* A 206 H4* A 206 20.113 -12.007 -10.163 484 H3* A 206 H3* A 206 19.091 -9.589 -8.624 485 1H2* A 206 1H2* A 206 17.553 -9.444 -10.338 486 2HO* A 206 2HO* A 206 18.965 -10.957 -12.200 487 H1* A 206 H1* A 206 17.715 -12.211 -11.134 488 H8 A 206 H8 A 206 16.927 -11.150 -7.564 489 1H6 A 206 1H6 A 206 10.943 -12.050 -9.090 490 2H6 A 206 2H6 A 206 12.028 -11.670 -7.772 491 H2 A 206 H2 A 206 13.406 -12.574 -12.752 492 1H5* G 207 1H5* G 207 20.203 -8.323 -12.090 493 2H5* G 207 2H5* G 207 20.335 -6.616 -12.509 494 H4* G 207 H4* G 207 18.255 -7.503 -13.337 495 H3* G 207 H3* G 207 17.662 -5.750 -10.921 496 1H2* G 207 1H2* G 207 15.549 -5.599 -11.871 497 2HO* G 207 2HO* G 207 15.956 -6.413 -14.401 498 H1* G 207 H1* G 207 15.675 -8.118 -13.235 499 H8 G 207 H8 G 207 16.459 -7.783 -9.523 500 H1 G 207 H1 G 207 10.381 -9.542 -10.885 501 1H2 G 207 1H2 G 207 10.085 -9.471 -12.925 502 2H2 G 207 2H2 G 207 11.301 -9.004 -14.092 503 1H5* C 208 1H5* C 208 18.419 -2.123 -13.889 504 2H5* C 208 2H5* C 208 17.920 -0.743 -12.911 505 H4* C 208 H4* C 208 16.384 -2.055 -14.781 506 H3* C 208 H3* C 208 15.812 -0.062 -12.642 507 1H2* C 208 1H2* C 208 13.674 -0.782 -12.361 508 2HO* C 208 2HO* C 208 12.444 -0.711 -14.302 509 H1* C 208 H1* C 208 13.729 -3.110 -14.128 510 1H4 C 208 1H4 C 208 11.861 -5.512 -8.527 511 2H4 C 208 2H4 C 208 13.452 -5.217 -7.863 512 H5 C 208 H5 C 208 15.181 -4.112 -9.033 513 H6 C 208 H6 C 208 15.815 -3.008 -11.149 514 1H5* G 209 1H5* G 209 12.322 3.125 -16.050 515 2H5* G 209 2H5* G 209 13.126 3.526 -14.533 516 H4* G 209 H4* G 209 10.910 1.610 -15.076 517 H3* G 209 H3* G 209 11.540 3.561 -12.836 518 1H2* G 209 1H2* G 209 9.988 2.428 -11.568 519 2HO* G 209 2HO* G 209 8.471 1.163 -13.376 520 H1* G 209 H1* G 209 10.129 -0.050 -13.067 521 H8 G 209 H8 G 209 13.166 1.501 -11.391 522 H1 G 209 H1 G 209 10.138 -3.017 -7.884 523 1H2 G 209 1H2 G 209 8.399 -3.580 -8.840 524 2H2 G 209 2H2 G 209 7.845 -2.925 -10.364 525 1H5* G 210 1H5* G 210 10.628 6.263 -11.376 526 2H5* G 210 2H5* G 210 10.106 4.651 -11.861 527 H4* G 210 H4* G 210 8.380 5.114 -10.490 528 H3* G 210 H3* G 210 7.627 5.970 -13.172 529 1H2* G 210 1H2* G 210 6.822 8.001 -12.417 530 2HO* G 210 2HO* G 210 5.101 6.024 -11.222 531 H1* G 210 H1* G 210 6.259 7.474 -9.622 532 H8 G 210 H8 G 210 9.450 8.274 -11.617 533 H1 G 210 H1 G 210 7.611 12.765 -7.334 534 1H2 G 210 1H2 G 210 5.889 12.146 -6.385 535 2H2 G 210 2H2 G 210 5.064 10.636 -6.701 536 1H5* A 211 1H5* A 211 7.578 2.804 -11.171 537 2H5* A 211 2H5* A 211 7.249 1.092 -11.437 538 H4* A 211 H4* A 211 6.353 1.472 -9.341 539 H3* A 211 H3* A 211 4.260 1.459 -11.443 540 1H2* A 211 1H2* A 211 3.315 3.196 -10.128 541 2HO* A 211 2HO* A 211 2.759 0.667 -8.865 542 H1* A 211 H1* A 211 4.309 1.730 -7.638 543 H8 A 211 H8 A 211 4.689 5.284 -9.027 544 1H6 A 211 1H6 A 211 2.049 7.119 -3.677 545 2H6 A 211 2H6 A 211 2.767 7.682 -5.170 546 H2 A 211 H2 A 211 2.152 2.677 -3.725 547 1H5* G 212 1H5* G 212 2.967 -3.219 -8.506 548 2H5* G 212 2H5* G 212 3.656 -1.634 -8.155 549 H4* G 212 H4* G 212 5.405 -4.022 -8.714 550 H3* G 212 H3* G 212 3.755 -3.694 -6.357 551 1H2* G 212 1H2* G 212 5.305 -2.858 -4.919 552 2HO* G 212 2HO* G 212 6.395 -4.697 -4.523 553 H1* G 212 H1* G 212 7.506 -2.633 -6.888 554 H8 G 212 H8 G 212 4.434 -0.516 -5.958 555 H1 G 212 H1 G 212 10.183 2.244 -4.860 556 1H2 G 212 1H2 G 212 11.687 0.937 -5.387 557 2H2 G 212 2H2 G 212 11.429 -0.670 -6.031 558 1H5* G 213 1H5* G 213 2.342 -5.093 -8.061 559 2H5* G 213 2H5* G 213 1.389 -6.494 -8.550 560 H4* G 213 H4* G 213 2.633 -5.403 -10.404 561 H3* G 213 H3* G 213 3.201 -8.304 -9.769 562 1H2* G 213 1H2* G 213 4.830 -8.263 -11.355 563 2HO* G 213 2HO* G 213 2.860 -6.663 -12.718 564 H1* G 213 H1* G 213 5.084 -5.541 -12.029 565 H8 G 213 H8 G 213 5.169 -6.784 -8.411 566 H1 G 213 H1 G 213 10.954 -5.723 -11.110 567 1H2 G 213 1H2 G 213 10.706 -5.210 -13.092 568 2H2 G 213 2H2 G 213 9.160 -5.088 -13.903 569 1H5* C 214 1H5* C 214 1.386 -10.129 -13.551 570 2H5* C 214 2H5* C 214 1.924 -11.679 -12.904 571 H4* C 214 H4* C 214 3.269 -10.214 -14.752 572 H3* C 214 H3* C 214 4.470 -12.127 -12.718 573 1H2* C 214 1H2* C 214 6.424 -11.986 -14.014 574 2HO* C 214 2HO* C 214 6.048 -10.974 -16.227 575 H1* C 214 H1* C 214 6.275 -9.280 -14.567 576 1H4 C 214 1H4 C 214 9.633 -9.185 -9.169 577 2H4 C 214 2H4 C 214 8.282 -9.851 -8.279 578 H5 C 214 H5 C 214 6.231 -10.476 -9.271 579 H6 C 214 H6 C 214 4.962 -10.617 -11.384 580 1H5* U 215 1H5* U 215 5.030 -13.717 -16.309 581 2H5* U 215 2H5* U 215 5.397 -15.435 -16.456 582 H4* U 215 H4* U 215 7.256 -13.650 -16.843 583 H3* U 215 H3* U 215 7.540 -16.266 -15.390 584 1H2* U 215 1H2* U 215 9.471 -15.502 -14.459 585 2HO* U 215 2HO* U 215 10.706 -14.482 -16.618 586 H1* U 215 H1* U 215 9.691 -12.897 -15.767 587 H3 U 215 H3 U 215 11.095 -11.663 -11.674 588 H5 U 215 H5 U 215 7.201 -13.032 -10.967 589 H6 U 215 H6 U 215 7.122 -13.721 -13.319 590 1H5* A 216 1H5* A 216 10.613 -16.229 -18.359 591 2H5* A 216 2H5* A 216 10.674 -17.775 -19.207 592 H4* A 216 H4* A 216 12.847 -17.437 -18.421 593 H3* A 216 H3* A 216 11.317 -19.447 -16.879 594 1H2* A 216 1H2* A 216 12.748 -19.500 -15.071 595 2HO* A 216 2HO* A 216 14.468 -19.916 -16.611 596 H1* A 216 H1* A 216 13.667 -16.742 -15.528 597 H8 A 216 H8 A 216 10.099 -17.549 -14.567 598 1H6 A 216 1H6 A 216 11.807 -16.251 -8.707 599 2H6 A 216 2H6 A 216 10.443 -16.626 -9.736 600 H2 A 216 H2 A 216 15.446 -16.211 -11.257 601 1H5* G 217 1H5* G 217 14.918 -21.491 -17.756 602 2H5* G 217 2H5* G 217 14.793 -23.236 -17.539 603 H4* G 217 H4* G 217 15.893 -22.090 -15.651 604 H3* G 217 H3* G 217 13.240 -23.383 -14.913 605 1H2* G 217 1H2* G 217 14.059 -23.309 -12.721 606 2HO* G 217 2HO* G 217 16.038 -24.280 -13.183 607 H1* G 217 H1* G 217 15.489 -20.871 -13.091 608 H8 G 217 H8 G 217 11.871 -21.317 -14.222 609 H1 G 217 H1 G 217 12.617 -18.493 -8.447 610 1H2 G 217 1H2 G 217 14.613 -18.508 -7.926 611 2H2 G 217 2H2 G 217 15.893 -19.185 -8.908 612 1H5* U 218 1H5* U 218 16.164 -26.536 -13.177 613 2H5* U 218 2H5* U 218 15.110 -27.945 -13.285 614 H4* U 218 H4* U 218 15.833 -27.555 -10.997 615 H3* U 218 H3* U 218 12.912 -27.302 -11.623 616 1H2* U 218 1H2* U 218 12.411 -26.795 -9.383 617 2HO* U 218 2HO* U 218 14.832 -27.007 -8.210 618 H1* U 218 H1* U 218 14.751 -25.139 -9.105 619 H3 U 218 H3 U 218 11.564 -22.093 -8.174 620 H5 U 218 H5 U 218 10.839 -23.044 -12.188 621 H6 U 218 H6 U 218 12.567 -24.771 -11.989 622 1H5* C 219 1H5* C 219 13.472 -29.647 -8.693 623 2H5* C 219 2H5* C 219 12.769 -31.231 -8.369 624 H4* C 219 H4* C 219 12.041 -29.987 -6.570 625 H3* C 219 H3* C 219 9.844 -29.799 -8.651 626 1H2* C 219 1H2* C 219 8.521 -28.781 -7.017 627 2HO* C 219 2HO* C 219 10.524 -29.894 -5.272 628 H1* C 219 H1* C 219 10.563 -27.304 -5.796 629 1H4 C 219 1H4 C 219 8.139 -23.025 -9.830 630 2H4 C 219 2H4 C 219 8.652 -23.984 -11.201 631 H5 C 219 H5 C 219 9.704 -26.091 -11.013 632 H6 C 219 H6 C 219 10.532 -27.812 -9.448 633 1H5* C 220 1H5* C 220 7.736 -32.130 -5.943 634 2H5* C 220 2H5* C 220 7.322 -33.677 -6.681 635 H4* C 220 H4* C 220 5.256 -32.951 -6.033 636 H3* C 220 H3* C 220 5.699 -32.098 -8.862 637 1H2* C 220 1H2* C 220 3.645 -30.932 -8.928 638 2HO* C 220 2HO* C 220 3.301 -32.135 -6.331 639 H1* C 220 H1* C 220 4.029 -29.671 -6.450 640 1H4 C 220 1H4 C 220 6.165 -25.244 -10.488 641 2H4 C 220 2H4 C 220 7.475 -26.290 -10.985 642 H5 C 220 H5 C 220 7.767 -28.497 -10.200 643 H6 C 220 H6 C 220 6.865 -30.264 -8.729 No H/Q in entry = 643 Start of MODEL 23 1 H MET 1 HN MET 1 -1.107 -10.241 2.982 2 HA MET 1 HA MET 1 -0.485 -12.354 2.518 3 1HB MET 1 2HB MET 1 -0.816 -11.359 -0.169 4 2HB MET 1 3HB MET 1 0.779 -12.083 -0.102 5 1HG MET 1 2HG MET 1 -0.576 -13.931 -0.659 6 2HG MET 1 3HG MET 1 -0.423 -14.106 1.078 7 1HE MET 1 3HE MET 1 -2.066 -15.605 0.992 8 2HE MET 1 1HE MET 1 -3.552 -15.065 1.809 9 3HE MET 1 2HE MET 1 -3.588 -15.479 0.078 10 H GLN 2 HN GLN 2 1.754 -13.445 2.186 11 HA GLN 2 HA GLN 2 3.609 -12.298 3.671 12 1HB GLN 2 2HB GLN 2 3.729 -14.280 1.427 13 2HB GLN 2 3HB GLN 2 5.263 -13.633 1.974 14 1HG GLN 2 2HG GLN 2 5.204 -15.105 3.697 15 2HG GLN 2 3HG GLN 2 3.854 -14.204 4.360 16 1HE2 GLN 2 1HE2 GLN 2 1.818 -14.977 4.246 17 2HE2 GLN 2 2HE2 GLN 2 1.379 -16.533 3.624 18 H LYS 3 HN LYS 3 3.356 -11.923 0.072 19 HA LYS 3 HA LYS 3 3.957 -10.228 -1.230 20 1HB LYS 3 2HB LYS 3 3.609 -8.933 1.172 21 2HB LYS 3 3HB LYS 3 5.265 -8.517 0.781 22 1HG LYS 3 2HG LYS 3 3.820 -8.282 -1.666 23 2HG LYS 3 3HG LYS 3 2.794 -7.559 -0.443 24 1HD LYS 3 2HD LYS 3 5.009 -6.349 0.348 25 2HD LYS 3 3HD LYS 3 5.615 -6.777 -1.240 26 1HE LYS 3 2HE LYS 3 3.446 -5.698 -2.187 27 2HE LYS 3 3HE LYS 3 3.201 -5.038 -0.582 28 1HZ LYS 3 1HZ LYS 3 5.733 -4.628 -2.069 29 2HZ LYS 3 2HZ LYS 3 4.488 -3.584 -2.174 30 H GLY 4 HN GLY 4 5.417 -12.248 -1.647 31 1HA GLY 4 1HA GLY 4 8.069 -12.326 -0.785 32 2HA GLY 4 2HA GLY 4 7.432 -13.031 -2.257 33 H ASN 5 HN ASN 5 6.434 -10.366 -3.286 34 HA ASN 5 HA ASN 5 8.645 -9.722 -4.781 35 1HB ASN 5 2HB ASN 5 6.009 -9.132 -4.960 36 2HB ASN 5 3HB ASN 5 6.536 -7.621 -4.246 37 1HD2 ASN 5 2HD2 ASN 5 7.760 -6.267 -7.173 38 2HD2 ASN 5 1HD2 ASN 5 7.205 -6.092 -5.542 39 H PHE 6 HN PHE 6 7.801 -8.952 -1.511 40 HA PHE 6 HA PHE 6 8.796 -6.373 -1.243 41 1HB PHE 6 2HB PHE 6 7.441 -7.722 0.423 42 2HB PHE 6 3HB PHE 6 8.797 -8.810 0.639 43 HD1 PHE 6 HD1 PHE 6 10.961 -7.835 1.600 44 HD2 PHE 6 HD2 PHE 6 7.245 -5.792 1.736 45 HE1 PHE 6 HE1 PHE 6 11.824 -6.388 3.460 46 HE2 PHE 6 HE2 PHE 6 8.109 -4.344 3.596 47 HZ PHE 6 HZ PHE 6 10.388 -4.660 4.436 48 H ARG 7 HN ARG 7 10.434 -9.347 -1.945 49 HA ARG 7 HA ARG 7 12.793 -8.940 -0.590 50 1HB ARG 7 2HB ARG 7 13.775 -10.418 -2.447 51 2HB ARG 7 3HB ARG 7 12.387 -11.086 -1.612 52 1HG ARG 7 2HG ARG 7 11.351 -11.308 -3.616 53 2HG ARG 7 3HG ARG 7 11.277 -9.560 -3.726 54 1HD ARG 7 2HD ARG 7 13.963 -10.412 -4.421 55 2HD ARG 7 3HD ARG 7 12.820 -11.364 -5.346 56 HE ARG 7 HE ARG 7 13.271 -8.468 -5.564 57 1HH1 ARG 7 2HH2 ARG 7 11.044 -11.132 -6.276 58 2HH1 ARG 7 1HH2 ARG 7 10.240 -10.281 -7.553 59 HH2 ARG 7 HH1 ARG 7 10.941 -8.058 -8.108 60 H ASN 8 HN ASN 8 11.354 -7.070 -3.059 61 HA ASN 8 HA ASN 8 13.441 -6.411 -4.687 62 1HB ASN 8 2HB ASN 8 12.184 -4.288 -5.100 63 2HB ASN 8 3HB ASN 8 11.101 -5.664 -5.067 64 1HD2 ASN 8 2HD2 ASN 8 10.061 -2.629 -2.916 65 2HD2 ASN 8 1HD2 ASN 8 10.841 -2.721 -4.460 66 H GLN 9 HN GLN 9 12.856 -5.719 -1.301 67 HA GLN 9 HA GLN 9 14.202 -3.305 -1.078 68 1HB GLN 9 2HB GLN 9 13.541 -5.546 0.849 69 2HB GLN 9 3HB GLN 9 14.527 -4.199 1.382 70 1HG GLN 9 2HG GLN 9 12.519 -2.813 0.157 71 2HG GLN 9 3HG GLN 9 11.627 -4.249 0.619 72 1HE2 GLN 9 2HE2 GLN 9 11.022 -2.424 3.576 73 2HE2 GLN 9 1HE2 GLN 9 10.427 -2.863 2.010 74 H ARG 10 HN ARG 10 15.362 -6.359 -2.009 75 HA ARG 10 HA ARG 10 17.844 -6.252 -0.678 76 1HB ARG 10 2HB ARG 10 18.412 -8.199 -2.001 77 2HB ARG 10 3HB ARG 10 16.711 -8.349 -1.608 78 1HG ARG 10 2HG ARG 10 16.400 -7.031 -3.925 79 2HG ARG 10 3HG ARG 10 17.995 -7.674 -4.256 80 1HD ARG 10 2HD ARG 10 16.916 -9.970 -3.410 81 2HD ARG 10 3HD ARG 10 15.405 -9.173 -3.805 82 HE ARG 10 HE ARG 10 17.355 -10.189 -5.693 83 1HH1 ARG 10 2HH2 ARG 10 14.950 -7.625 -5.259 84 2HH1 ARG 10 1HH2 ARG 10 14.683 -7.417 -6.959 85 HH2 ARG 10 HH1 ARG 10 15.902 -8.774 -8.513 86 H LYS 11 HN LYS 11 16.533 -4.280 -3.024 87 HA LYS 11 HA LYS 11 19.186 -3.714 -4.138 88 1HB LYS 11 2HB LYS 11 17.829 -4.919 -5.811 89 2HB LYS 11 3HB LYS 11 16.568 -3.711 -5.670 90 1HG LYS 11 2HG LYS 11 17.976 -1.975 -6.573 91 2HG LYS 11 3HG LYS 11 19.428 -2.936 -6.368 92 1HD LYS 11 2HD LYS 11 19.170 -3.849 -8.425 93 2HD LYS 11 3HD LYS 11 17.578 -4.445 -8.001 94 1HE LYS 11 2HE LYS 11 17.004 -3.015 -9.745 95 2HE LYS 11 3HE LYS 11 16.852 -1.904 -8.398 96 1HZ LYS 11 1HZ LYS 11 19.289 -2.180 -10.077 97 2HZ LYS 11 2HZ LYS 11 18.209 -0.967 -10.198 98 H THR 12 HN THR 12 18.090 -2.593 -1.760 99 HA THR 12 HA THR 12 17.257 -0.678 -0.873 100 HB THR 12 HB THR 12 19.783 -0.477 -1.535 101 HG1 THR 12 HG1 THR 12 17.881 1.725 -1.187 102 1HG2 THR 12 3HG2 THR 12 18.582 0.559 -3.931 103 2HG2 THR 12 1HG2 THR 12 19.266 1.946 -3.051 104 3HG2 THR 12 2HG2 THR 12 20.308 0.572 -3.494 105 H VAL 13 HN VAL 13 15.337 -1.492 -2.627 106 HA VAL 13 HA VAL 13 14.623 -0.063 -4.753 107 HB VAL 13 HB VAL 13 12.257 -0.264 -3.876 108 1HG1 VAL 13 3HG1 VAL 13 14.212 -2.362 -4.466 109 2HG1 VAL 13 1HG1 VAL 13 12.828 -2.953 -3.516 110 3HG1 VAL 13 2HG1 VAL 13 12.555 -2.136 -5.074 111 1HG2 VAL 13 1HG2 VAL 13 13.725 -1.443 -1.496 112 2HG2 VAL 13 2HG2 VAL 13 12.624 -0.044 -1.506 113 3HG2 VAL 13 3HG2 VAL 13 11.991 -1.677 -1.824 114 H LYS 14 HN LYS 14 13.324 1.884 -5.150 115 HA LYS 14 HA LYS 14 13.929 3.932 -3.138 116 1HB LYS 14 2HB LYS 14 14.246 5.473 -4.843 117 2HB LYS 14 3HB LYS 14 14.958 4.015 -5.503 118 1HG LYS 14 2HG LYS 14 12.255 3.818 -6.257 119 2HG LYS 14 3HG LYS 14 12.601 5.528 -6.428 120 1HD LYS 14 2HD LYS 14 14.846 4.039 -7.489 121 2HD LYS 14 3HD LYS 14 13.375 3.378 -8.176 122 1HE LYS 14 2HE LYS 14 13.147 5.177 -9.539 123 2HE LYS 14 3HE LYS 14 13.153 6.266 -8.166 124 1HZ LYS 14 1HZ LYS 14 15.651 6.061 -8.214 125 2HZ LYS 14 2HZ LYS 14 15.531 5.268 -9.631 126 H CYS 15 HN CYS 15 12.297 5.368 -2.455 127 HA CYS 15 HA CYS 15 9.671 4.256 -2.672 128 1HB CYS 15 2HB CYS 15 10.502 5.136 -0.529 129 2HB CYS 15 3HB CYS 15 10.658 6.736 -1.224 130 H PHE 16 HN PHE 16 8.339 4.740 -4.381 131 HA PHE 16 HA PHE 16 8.978 6.974 -6.065 132 1HB PHE 16 2HB PHE 16 6.959 4.685 -5.933 133 2HB PHE 16 3HB PHE 16 6.694 5.977 -7.088 134 HD1 PHE 16 HD1 PHE 16 9.450 6.547 -7.984 135 HD2 PHE 16 HD2 PHE 16 7.527 2.840 -7.227 136 HE1 PHE 16 HE1 PHE 16 10.994 5.415 -9.607 137 HE2 PHE 16 HE2 PHE 16 9.071 1.708 -8.851 138 HZ PHE 16 HZ PHE 16 10.786 3.008 -10.021 139 H ASN 17 HN ASN 17 7.771 7.115 -3.120 140 HA ASN 17 HA ASN 17 5.476 8.745 -3.850 141 1HB ASN 17 2HB ASN 17 5.409 6.792 -2.064 142 2HB ASN 17 3HB ASN 17 6.227 7.930 -1.012 143 1HD2 ASN 17 2HD2 ASN 17 3.019 8.857 0.041 144 2HD2 ASN 17 1HD2 ASN 17 4.479 7.990 0.386 145 H CYS 18 HN CYS 18 8.419 8.564 -1.719 146 HA CYS 18 HA CYS 18 8.314 11.470 -1.458 147 1HB CYS 18 2HB CYS 18 9.902 11.159 0.422 148 2HB CYS 18 3HB CYS 18 8.373 10.340 0.675 149 H GLY 19 HN GLY 19 10.328 8.633 -2.401 150 1HA GLY 19 1HA GLY 19 11.745 8.743 -4.286 151 2HA GLY 19 2HA GLY 19 12.008 10.451 -3.997 152 H LYS 20 HN LYS 20 12.002 8.060 -1.343 153 HA LYS 20 HA LYS 20 14.878 8.568 -1.044 154 1HB LYS 20 2HB LYS 20 12.676 8.796 0.778 155 2HB LYS 20 3HB LYS 20 13.733 7.520 1.348 156 1HG LYS 20 2HG LYS 20 14.830 9.333 2.287 157 2HG LYS 20 3HG LYS 20 15.654 9.295 0.741 158 1HD LYS 20 2HD LYS 20 14.976 11.436 0.421 159 2HD LYS 20 3HD LYS 20 13.347 10.822 0.220 160 1HE LYS 20 2HE LYS 20 13.531 10.848 2.970 161 2HE LYS 20 3HE LYS 20 14.581 12.193 2.571 162 1HZ LYS 20 1HZ LYS 20 12.820 13.412 1.865 163 2HZ LYS 20 2HZ LYS 20 12.098 12.177 1.088 164 H GLU 21 HN GLU 21 16.308 6.843 -0.813 165 HA GLU 21 HA GLU 21 15.244 4.359 -1.760 166 1HB GLU 21 2HB GLU 21 17.909 5.647 -1.548 167 2HB GLU 21 3HB GLU 21 17.935 3.917 -1.274 168 1HG GLU 21 2HG GLU 21 17.197 3.411 -3.438 169 2HG GLU 21 3HG GLU 21 16.331 4.924 -3.616 170 HE1 GLU 21 HE2 GLU 21 19.132 6.813 -3.684 171 H GLY 22 HN GLY 22 14.958 2.479 -0.567 172 1HA GLY 22 1HA GLY 22 16.027 1.305 1.434 173 2HA GLY 22 2HA GLY 22 15.483 2.711 2.325 174 H HIS 23 HN HIS 23 12.984 3.234 1.040 175 HA HIS 23 HA HIS 23 11.535 0.735 1.498 176 1HB HIS 23 2HB HIS 23 9.942 1.766 2.885 177 2HB HIS 23 3HB HIS 23 11.502 2.270 3.505 178 HD1 HIS 23 HD1 HIS 23 12.117 4.784 3.353 179 HD2 HIS 23 HD2 HIS 23 8.399 3.833 1.661 180 HE1 HIS 23 HE1 HIS 23 10.932 7.006 2.938 181 H ILE 24 HN ILE 24 9.314 0.762 0.497 182 HA ILE 24 HA ILE 24 9.408 2.385 -1.945 183 HB ILE 24 HB ILE 24 8.223 0.664 -3.044 184 1HG1 ILE 24 2HG1 ILE 24 7.970 -0.817 -0.410 185 2HG1 ILE 24 3HG1 ILE 24 6.691 0.140 -1.129 186 1HG2 ILE 24 3HG2 ILE 24 10.771 0.338 -2.053 187 2HG2 ILE 24 1HG2 ILE 24 9.978 -1.192 -1.610 188 3HG2 ILE 24 2HG2 ILE 24 10.001 -0.662 -3.308 189 1HD1 ILE 24 1HD1 ILE 24 8.075 -2.146 -2.597 190 2HD1 ILE 24 2HD1 ILE 24 6.580 -2.346 -1.652 191 3HD1 ILE 24 3HD1 ILE 24 6.593 -1.291 -3.087 192 H ALA 25 HN ALA 25 7.294 3.157 -2.792 193 HA ALA 25 HA ALA 25 5.940 4.673 -0.976 194 1HB ALA 25 3HB ALA 25 5.911 4.914 -3.456 195 2HB ALA 25 1HB ALA 25 4.855 3.485 -3.562 196 3HB ALA 25 2HB ALA 25 4.278 4.960 -2.749 197 H LYS 26 HN LYS 26 5.405 1.264 -1.927 198 HA LYS 26 HA LYS 26 2.878 0.962 -0.800 199 1HB LYS 26 2HB LYS 26 5.072 -1.112 -1.086 200 2HB LYS 26 3HB LYS 26 3.362 -1.430 -0.878 201 1HG LYS 26 2HG LYS 26 4.142 0.387 -3.146 202 2HG LYS 26 3HG LYS 26 4.537 -1.312 -3.319 203 1HD LYS 26 2HD LYS 26 1.754 -0.553 -2.405 204 2HD LYS 26 3HD LYS 26 2.162 -0.375 -4.100 205 1HE LYS 26 2HE LYS 26 2.714 -2.736 -4.307 206 2HE LYS 26 3HE LYS 26 2.652 -2.969 -2.572 207 1HZ LYS 26 1HZ LYS 26 0.418 -3.180 -2.654 208 2HZ LYS 26 2HZ LYS 26 0.204 -1.888 -3.622 209 H ASN 27 HN ASN 27 6.189 0.586 0.599 210 HA ASN 27 HA ASN 27 4.951 0.142 3.171 211 1HB ASN 27 2HB ASN 27 7.838 0.009 2.171 212 2HB ASN 27 3HB ASN 27 7.439 -0.141 3.871 213 1HD2 ASN 27 2HD2 ASN 27 6.239 -3.050 1.161 214 2HD2 ASN 27 1HD2 ASN 27 6.471 -1.401 0.686 215 H CYS 28 HN CYS 28 5.236 2.782 1.437 216 HA CYS 28 HA CYS 28 6.934 4.396 3.096 217 1HB CYS 28 2HB CYS 28 6.838 4.832 0.693 218 2HB CYS 28 3HB CYS 28 5.112 5.126 0.780 219 H ARG 29 HN ARG 29 6.217 5.844 4.706 220 HA ARG 29 HA ARG 29 3.668 5.273 5.762 221 1HB ARG 29 2HB ARG 29 5.782 5.855 7.091 222 2HB ARG 29 3HB ARG 29 5.582 7.516 6.570 223 1HG ARG 29 2HG ARG 29 4.142 7.859 8.283 224 2HG ARG 29 3HG ARG 29 3.032 6.712 7.559 225 1HD ARG 29 2HD ARG 29 5.360 5.614 9.136 226 2HD ARG 29 3HD ARG 29 4.035 6.333 10.028 227 HE ARG 29 HE ARG 29 3.150 4.439 7.974 228 1HH1 ARG 29 2HH2 ARG 29 4.215 4.771 11.337 229 2HH1 ARG 29 1HH2 ARG 29 3.454 3.302 11.853 230 HH2 ARG 29 HH1 ARG 29 2.243 1.985 10.259 231 H ALA 30 HN ALA 30 5.169 7.890 3.841 232 HA ALA 30 HA ALA 30 3.298 9.886 4.211 233 1HB ALA 30 1HB ALA 30 5.529 9.294 2.514 234 2HB ALA 30 2HB ALA 30 4.194 9.873 1.487 235 3HB ALA 30 3HB ALA 30 4.775 10.873 2.840 236 HA PRO 31 HA PRO 31 -0.217 8.505 2.106 237 1HB PRO 31 2HB PRO 31 -1.359 10.845 1.273 238 2HB PRO 31 3HB PRO 31 -1.491 10.244 2.914 239 1HG PRO 31 2HG PRO 31 0.181 12.450 1.877 240 2HG PRO 31 3HG PRO 31 -0.289 12.113 3.531 241 1HD PRO 31 2HD PRO 31 2.267 11.601 2.336 242 2HD PRO 31 3HD PRO 31 1.760 11.159 3.954 243 H ARG 32 HN ARG 32 -1.170 7.886 0.143 244 HA ARG 32 HA ARG 32 0.628 7.674 -1.883 245 1HB ARG 32 2HB ARG 32 -1.948 6.762 -1.377 246 2HB ARG 32 3HB ARG 32 -2.220 7.811 -2.755 247 1HG ARG 32 2HG ARG 32 -1.685 5.844 -3.873 248 2HG ARG 32 3HG ARG 32 -0.086 6.548 -3.750 249 1HD ARG 32 2HD ARG 32 -1.076 4.779 -1.501 250 2HD ARG 32 3HD ARG 32 -0.520 4.029 -2.984 251 HE ARG 32 HE ARG 32 1.690 4.916 -2.600 252 1HH1 ARG 32 1HH2 ARG 32 0.670 6.159 1.122 253 2HH1 ARG 32 2HH2 ARG 32 -0.577 5.734 -0.003 254 HH2 ARG 32 HH1 ARG 32 2.963 6.000 0.445 255 H LYS 33 HN LYS 33 1.609 9.417 -2.896 256 HA LYS 33 HA LYS 33 -0.155 11.316 -4.208 257 1HB LYS 33 2HB LYS 33 0.813 12.056 -1.803 258 2HB LYS 33 3HB LYS 33 2.172 12.528 -2.803 259 1HG LYS 33 2HG LYS 33 1.036 14.399 -3.388 260 2HG LYS 33 3HG LYS 33 -0.119 13.392 -4.239 261 1HD LYS 33 2HD LYS 33 -1.571 13.246 -2.320 262 2HD LYS 33 3HD LYS 33 -0.336 13.858 -1.238 263 1HE LYS 33 2HE LYS 33 -0.452 15.969 -2.942 264 2HE LYS 33 3HE LYS 33 -2.077 15.358 -3.179 265 1HZ LYS 33 1HZ LYS 33 -1.508 15.372 -0.416 266 2HZ LYS 33 2HZ LYS 33 -1.149 16.844 -1.011 267 H LYS 34 HN LYS 34 1.648 12.970 -5.399 268 HA LYS 34 HA LYS 34 3.675 11.207 -6.555 269 1HB LYS 34 2HB LYS 34 1.317 12.370 -7.922 270 2HB LYS 34 3HB LYS 34 2.843 12.569 -8.760 271 1HG LYS 34 2HG LYS 34 3.206 10.013 -8.235 272 2HG LYS 34 3HG LYS 34 1.483 9.987 -7.921 273 1HD LYS 34 2HD LYS 34 1.133 11.039 -10.227 274 2HD LYS 34 3HD LYS 34 2.846 10.816 -10.524 275 1HE LYS 34 2HE LYS 34 2.526 8.329 -10.017 276 2HE LYS 34 3HE LYS 34 0.800 8.622 -9.952 277 1HZ LYS 34 1HZ LYS 34 1.572 9.779 -12.310 278 2HZ LYS 34 2HZ LYS 34 2.485 8.431 -12.261 279 H GLY 35 HN GLY 35 4.248 12.990 -4.551 280 1HA GLY 35 1HA GLY 35 4.838 15.607 -5.511 281 2HA GLY 35 2HA GLY 35 5.392 14.863 -4.025 282 H CYS 36 HN CYS 36 6.505 16.241 -6.798 283 HA CYS 36 HA CYS 36 8.370 14.430 -7.777 284 1HB CYS 36 2HB CYS 36 7.838 16.342 -9.093 285 2HB CYS 36 3HB CYS 36 8.255 17.454 -7.803 286 H TRP 37 HN TRP 37 10.239 13.640 -6.858 287 HA TRP 37 HA TRP 37 11.013 14.651 -4.278 288 1HB TRP 37 2HB TRP 37 12.725 12.648 -5.574 289 2HB TRP 37 3HB TRP 37 12.007 12.667 -3.976 290 HD1 TRP 37 HD1 TRP 37 9.015 12.331 -4.328 291 HE1 TRP 37 HE1 TRP 37 7.803 10.340 -5.565 292 HE3 TRP 37 HE3 TRP 37 13.012 10.963 -7.158 293 HZ2 TRP 37 HZ2 TRP 37 8.632 8.459 -7.544 294 HZ3 TRP 37 HZ3 TRP 37 12.726 9.039 -8.718 295 HH2 TRP 37 HH2 TRP 37 10.630 7.801 -8.937 296 H LYS 38 HN LYS 38 11.193 16.568 -6.454 297 HA LYS 38 HA LYS 38 14.085 16.993 -6.384 298 1HB LYS 38 2HB LYS 38 12.769 16.157 -8.678 299 2HB LYS 38 3HB LYS 38 12.838 17.896 -8.876 300 1HG LYS 38 2HG LYS 38 15.390 17.279 -7.899 301 2HG LYS 38 3HG LYS 38 15.029 15.913 -8.934 302 1HD LYS 38 2HD LYS 38 15.788 17.280 -10.610 303 2HD LYS 38 3HD LYS 38 14.171 17.954 -10.548 304 1HE LYS 38 2HE LYS 38 14.992 19.961 -9.881 305 2HE LYS 38 3HE LYS 38 15.740 19.223 -8.479 306 1HZ LYS 38 1HZ LYS 38 16.954 19.924 -11.012 307 2HZ LYS 38 2HZ LYS 38 17.641 19.817 -9.539 308 H CYS 39 HN CYS 39 10.819 18.376 -7.128 309 HA CYS 39 HA CYS 39 11.824 20.898 -6.030 310 1HB CYS 39 2HB CYS 39 9.883 21.934 -7.272 311 2HB CYS 39 3HB CYS 39 11.160 21.279 -8.278 312 H GLY 40 HN GLY 40 9.388 18.299 -5.928 313 1HA GLY 40 1HA GLY 40 8.324 17.687 -3.934 314 2HA GLY 40 2HA GLY 40 8.463 19.330 -3.340 315 H LYS 41 HN LYS 41 7.518 18.987 -6.699 316 HA LYS 41 HA LYS 41 4.875 19.961 -5.990 317 1HB LYS 41 2HB LYS 41 6.706 20.647 -7.965 318 2HB LYS 41 3HB LYS 41 5.504 19.719 -8.837 319 1HG LYS 41 2HG LYS 41 4.583 21.882 -8.902 320 2HG LYS 41 3HG LYS 41 3.745 21.174 -7.535 321 1HD LYS 41 2HD LYS 41 5.701 22.158 -6.088 322 2HD LYS 41 3HD LYS 41 6.071 23.131 -7.498 323 1HE LYS 41 2HE LYS 41 4.440 24.591 -6.908 324 2HE LYS 41 3HE LYS 41 3.241 23.330 -7.120 325 1HZ LYS 41 1HZ LYS 41 4.154 24.442 -4.698 326 2HZ LYS 41 2HZ LYS 41 2.969 23.345 -4.906 327 H GLU 42 HN GLU 42 3.161 18.624 -5.836 328 HA GLU 42 HA GLU 42 3.505 15.921 -6.675 329 1HB GLU 42 2HB GLU 42 1.311 15.558 -5.600 330 2HB GLU 42 3HB GLU 42 2.384 16.450 -4.541 331 1HG GLU 42 2HG GLU 42 0.706 17.975 -4.348 332 2HG GLU 42 3HG GLU 42 1.137 18.496 -5.964 333 HE2 GLU 42 HE2 GLU 42 -1.339 18.718 -5.123 334 H GLY 43 HN GLY 43 3.191 15.329 -8.776 335 1HA GLY 43 1HA GLY 43 0.946 15.291 -10.188 336 2HA GLY 43 2HA GLY 43 1.453 16.945 -10.470 337 H HIS 44 HN HIS 44 4.157 16.918 -10.751 338 HA HIS 44 HA HIS 44 4.461 15.264 -13.119 339 1HB HIS 44 2HB HIS 44 6.164 16.778 -13.795 340 2HB HIS 44 3HB HIS 44 4.807 17.731 -13.228 341 HD1 HIS 44 HD1 HIS 44 5.209 19.339 -11.290 342 HD2 HIS 44 HD2 HIS 44 8.428 16.737 -11.968 343 HE1 HIS 44 HE1 HIS 44 7.128 20.182 -9.835 344 H GLN 45 HN GLN 45 7.095 14.800 -13.391 345 HA GLN 45 HA GLN 45 7.844 13.502 -10.889 346 1HB GLN 45 2HB GLN 45 7.930 12.379 -13.716 347 2HB GLN 45 3HB GLN 45 8.858 11.677 -12.406 348 1HG GLN 45 2HG GLN 45 6.938 10.968 -11.233 349 2HG GLN 45 3HG GLN 45 5.908 12.176 -11.975 350 1HE2 GLN 45 2HE2 GLN 45 4.869 9.040 -13.495 351 2HE2 GLN 45 1HE2 GLN 45 4.795 9.883 -11.984 352 H MET 46 HN MET 46 10.205 13.179 -10.606 353 HA MET 46 HA MET 46 11.638 15.417 -11.097 354 1HB MET 46 2HB MET 46 12.235 13.602 -9.470 355 2HB MET 46 3HB MET 46 12.629 12.526 -10.796 356 1HG MET 46 2HG MET 46 14.031 15.187 -10.763 357 2HG MET 46 3HG MET 46 14.498 14.039 -9.524 358 1HE MET 46 3HE MET 46 15.028 11.768 -9.832 359 2HE MET 46 1HE MET 46 15.837 11.043 -11.243 360 3HE MET 46 2HE MET 46 16.674 12.281 -10.274 361 H LYS 47 HN LYS 47 11.405 12.435 -13.103 362 HA LYS 47 HA LYS 47 13.461 13.031 -14.875 363 1HB LYS 47 2HB LYS 47 11.555 11.011 -14.519 364 2HB LYS 47 3HB LYS 47 11.216 11.651 -16.114 365 1HG LYS 47 2HG LYS 47 13.702 11.452 -16.646 366 2HG LYS 47 3HG LYS 47 13.918 10.651 -15.103 367 1HD LYS 47 2HD LYS 47 11.879 9.642 -17.123 368 2HD LYS 47 3HD LYS 47 13.562 9.165 -17.222 369 1HE LYS 47 2HE LYS 47 11.972 8.861 -14.641 370 2HE LYS 47 3HE LYS 47 11.955 7.622 -15.879 371 1HZ LYS 47 1HZ LYS 47 14.205 8.479 -14.201 372 2HZ LYS 47 2HZ LYS 47 13.748 6.969 -14.601 373 H ASP 48 HN ASP 48 10.027 14.073 -14.748 374 HA ASP 48 HA ASP 48 10.590 15.718 -17.083 375 1HB ASP 48 2HB ASP 48 8.235 14.237 -16.114 376 2HB ASP 48 3HB ASP 48 7.840 15.905 -16.474 377 HD2 ASP 48 HD2 ASP 48 8.728 16.384 -19.089 378 H CYS 49 HN CYS 49 11.465 16.273 -14.271 379 HA CYS 49 HA CYS 49 9.894 17.830 -12.762 380 1HB CYS 49 2HB CYS 49 12.267 17.202 -12.282 381 2HB CYS 49 3HB CYS 49 12.798 18.452 -13.390 382 H THR 50 HN THR 50 8.545 19.497 -13.346 383 HA THR 50 HA THR 50 9.182 21.058 -15.708 384 HB THR 50 HB THR 50 6.885 20.098 -15.222 385 HG1 THR 50 HG1 THR 50 6.893 21.950 -16.538 386 1HG2 THR 50 3HG2 THR 50 6.870 22.273 -13.065 387 2HG2 THR 50 1HG2 THR 50 5.481 21.277 -13.560 388 3HG2 THR 50 2HG2 THR 50 6.864 20.526 -12.730 389 H GLU 51 HN GLU 51 10.388 21.137 -12.687 390 HA GLU 51 HA GLU 51 10.734 23.996 -12.892 391 1HB GLU 51 2HB GLU 51 9.431 22.565 -10.589 392 2HB GLU 51 3HB GLU 51 10.500 23.901 -10.212 393 1HG GLU 51 2HG GLU 51 8.699 24.573 -12.437 394 2HG GLU 51 3HG GLU 51 7.797 24.077 -11.019 395 HE2 GLU 51 HE2 GLU 51 9.244 27.668 -11.068 396 H ARG 52 HN ARG 52 12.828 23.100 -13.726 397 HA ARG 52 HA ARG 52 14.473 21.436 -12.471 398 1HB ARG 52 2HB ARG 52 14.735 23.618 -14.376 399 2HB ARG 52 3HB ARG 52 16.120 23.643 -13.302 400 1HG ARG 52 2HG ARG 52 16.995 22.010 -14.624 401 2HG ARG 52 3HG ARG 52 15.862 20.925 -13.842 402 1HD ARG 52 2HD ARG 52 14.441 22.356 -15.919 403 2HD ARG 52 3HD ARG 52 15.927 21.734 -16.607 404 HE ARG 52 HE ARG 52 14.422 19.803 -14.961 405 1HH1 ARG 52 2HH2 ARG 52 15.035 21.046 -18.221 406 2HH1 ARG 52 1HH2 ARG 52 14.437 19.625 -19.010 407 HH2 ARG 52 HH1 ARG 52 13.617 17.804 -17.685 408 H GLN 53 HN GLN 53 16.358 21.728 -10.988 409 HA GLN 53 HA GLN 53 15.892 23.955 -9.159 410 1HB GLN 53 2HB GLN 53 15.494 21.350 -8.514 411 2HB GLN 53 3HB GLN 53 17.205 21.454 -8.155 412 1HG GLN 53 2HG GLN 53 15.954 23.821 -7.089 413 2HG GLN 53 3HG GLN 53 14.983 22.448 -6.599 414 1HE2 GLN 53 2HE2 GLN 53 17.484 22.895 -3.966 415 2HE2 GLN 53 1HE2 GLN 53 16.111 23.715 -4.630 416 H ALA 54 HN ALA 54 18.065 24.096 -7.629 417 HA ALA 54 HA ALA 54 20.175 24.750 -7.549 418 1HB ALA 54 1HB ALA 54 20.329 22.489 -9.548 419 2HB ALA 54 2HB ALA 54 21.781 23.436 -9.144 420 3HB ALA 54 3HB ALA 54 20.915 22.548 -7.868 421 H ASN 55 HN ASN 55 19.306 26.853 -8.335 422 HA ASN 55 HA ASN 55 19.475 28.632 -9.560 423 1HB ASN 55 2HB ASN 55 21.836 27.040 -10.482 424 2HB ASN 55 3HB ASN 55 21.330 28.296 -11.594 425 1HD2 ASN 55 2HD2 ASN 55 23.782 29.926 -9.467 426 2HD2 ASN 55 1HD2 ASN 55 23.675 28.751 -10.735 427 1H5* G 201 1H5* G 201 -0.894 -18.122 -5.389 428 2H5* G 201 2H5* G 201 0.680 -17.332 -5.477 429 H4* G 201 H4* G 201 0.025 -19.868 -4.390 430 H3* G 201 H3* G 201 2.840 -18.830 -4.840 431 1H2* G 201 1H2* G 201 3.255 -20.266 -3.010 432 2HO* G 201 2HO* G 201 1.473 -19.281 -1.846 433 H1* G 201 H1* G 201 1.409 -22.207 -3.804 434 H8 G 201 H8 G 201 3.654 -20.283 -6.246 435 H1 G 201 H1 G 201 5.606 -26.280 -4.797 436 1H2 G 201 1H2 G 201 4.337 -27.098 -3.393 437 2H2 G 201 2H2 G 201 2.950 -26.280 -2.709 438 1H5* G 202 1H5* G 202 2.539 -17.921 -0.839 439 2H5* G 202 2H5* G 202 3.351 -16.402 -0.464 440 H4* G 202 H4* G 202 4.336 -18.102 0.873 441 H3* G 202 H3* G 202 6.073 -17.117 -1.369 442 1H2* G 202 1H2* G 202 7.819 -18.551 -0.707 443 2HO* G 202 2HO* G 202 6.636 -19.672 1.500 444 H1* G 202 H1* G 202 6.191 -20.784 -0.280 445 H8 G 202 H8 G 202 5.660 -18.356 -3.196 446 H1 G 202 H1 G 202 8.800 -23.822 -4.664 447 1H2 G 202 1H2 G 202 9.101 -24.926 -2.948 448 2H2 G 202 2H2 G 202 8.580 -24.443 -1.349 449 1H5* A 203 1H5* A 203 8.615 -17.650 2.135 450 2H5* A 203 2H5* A 203 9.323 -16.051 2.356 451 H4* A 203 H4* A 203 11.074 -17.667 2.442 452 H3* A 203 H3* A 203 11.039 -15.838 0.104 453 1H2* A 203 1H2* A 203 12.631 -17.010 -1.097 454 2HO* A 203 2HO* A 203 14.031 -16.935 0.747 455 H1* A 203 H1* A 203 11.962 -19.605 -0.089 456 H8 A 203 H8 A 203 9.348 -17.243 -1.543 457 1H6 A 203 1H6 A 203 9.964 -20.536 -6.809 458 2H6 A 203 2H6 A 203 9.060 -19.253 -6.038 459 H2 A 203 H2 A 203 12.974 -22.006 -3.889 460 1H5* C 204 1H5* C 204 15.511 -15.582 1.139 461 2H5* C 204 2H5* C 204 15.897 -14.069 0.318 462 H4* C 204 H4* C 204 16.913 -16.214 -0.610 463 H3* C 204 H3* C 204 15.455 -14.207 -2.325 464 1H2* C 204 1H2* C 204 15.955 -15.464 -4.220 465 2HO* C 204 2HO* C 204 17.824 -16.856 -4.095 466 H1* C 204 H1* C 204 15.803 -17.997 -2.889 467 1H4 C 204 1H4 C 204 10.453 -17.869 -6.341 468 2H4 C 204 2H4 C 204 9.826 -16.568 -5.351 469 H5 C 204 H5 C 204 11.047 -15.527 -3.618 470 H6 C 204 H6 C 204 13.192 -15.477 -2.396 471 1H5* U 205 1H5* U 205 19.418 -14.579 -3.073 472 2H5* U 205 2H5* U 205 20.578 -13.285 -3.367 473 H4* U 205 H4* U 205 20.896 -14.576 -5.225 474 H3* U 205 H3* U 205 18.905 -12.447 -5.882 475 1H2* U 205 1H2* U 205 18.485 -13.337 -8.010 476 2HO* U 205 2HO* U 205 20.052 -14.947 -8.789 477 H1* U 205 H1* U 205 18.619 -16.054 -7.022 478 H3 U 205 H3 U 205 14.484 -16.125 -8.812 479 H5 U 205 H5 U 205 14.138 -13.337 -5.706 480 H6 U 205 H6 U 205 16.557 -13.557 -5.372 481 1H5* A 206 1H5* A 206 21.040 -12.369 -8.701 482 2H5* A 206 2H5* A 206 21.926 -11.045 -9.456 483 H4* A 206 H4* A 206 20.316 -11.653 -11.030 484 H3* A 206 H3* A 206 19.139 -9.305 -9.499 485 1H2* A 206 1H2* A 206 17.518 -9.280 -11.124 486 2HO* A 206 2HO* A 206 19.571 -10.421 -12.793 487 H1* A 206 H1* A 206 17.872 -11.968 -12.083 488 H8 A 206 H8 A 206 17.206 -11.197 -8.416 489 1H6 A 206 1H6 A 206 11.241 -12.522 -9.682 490 2H6 A 206 2H6 A 206 12.364 -12.128 -8.400 491 H2 A 206 H2 A 206 13.523 -12.608 -13.493 492 1H5* G 207 1H5* G 207 20.096 -7.926 -13.072 493 2H5* G 207 2H5* G 207 20.141 -6.188 -13.365 494 H4* G 207 H4* G 207 18.138 -7.080 -14.321 495 H3* G 207 H3* G 207 17.466 -5.592 -11.754 496 1H2* G 207 1H2* G 207 15.284 -5.551 -12.577 497 2HO* G 207 2HO* G 207 16.291 -6.323 -15.142 498 H1* G 207 H1* G 207 15.583 -8.059 -13.981 499 H8 G 207 H8 G 207 16.342 -7.692 -10.272 500 H1 G 207 H1 G 207 10.393 -9.845 -11.635 501 1H2 G 207 1H2 G 207 10.083 -9.771 -13.672 502 2H2 G 207 2H2 G 207 11.261 -9.210 -14.838 503 1H5* C 208 1H5* C 208 18.036 -2.038 -14.872 504 2H5* C 208 2H5* C 208 17.739 -0.524 -14.019 505 H4* C 208 H4* C 208 16.018 -1.216 -15.737 506 H3* C 208 H3* C 208 15.404 -0.337 -12.962 507 1H2* C 208 1H2* C 208 13.179 -0.962 -13.062 508 2HO* C 208 2HO* C 208 12.505 0.014 -14.899 509 H1* C 208 H1* C 208 13.604 -3.155 -14.897 510 1H4 C 208 1H4 C 208 11.995 -6.076 -9.470 511 2H4 C 208 2H4 C 208 13.492 -5.557 -8.731 512 H5 C 208 H5 C 208 15.061 -4.144 -9.790 513 H6 C 208 H6 C 208 15.585 -2.871 -11.840 514 1H5* G 209 1H5* G 209 13.421 1.835 -15.773 515 2H5* G 209 2H5* G 209 12.976 3.539 -15.704 516 H4* G 209 H4* G 209 10.981 2.231 -15.610 517 H3* G 209 H3* G 209 11.729 3.701 -13.128 518 1H2* G 209 1H2* G 209 10.061 2.710 -11.851 519 2HO* G 209 2HO* G 209 8.511 3.224 -13.497 520 H1* G 209 H1* G 209 10.177 0.192 -13.275 521 H8 G 209 H8 G 209 13.226 1.764 -11.631 522 H1 G 209 H1 G 209 10.153 -2.644 -8.023 523 1H2 G 209 1H2 G 209 8.417 -3.221 -8.971 524 2H2 G 209 2H2 G 209 7.873 -2.603 -10.516 525 1H5* G 210 1H5* G 210 11.066 6.521 -11.593 526 2H5* G 210 2H5* G 210 10.456 4.955 -12.126 527 H4* G 210 H4* G 210 8.777 5.547 -10.717 528 H3* G 210 H3* G 210 8.061 6.333 -13.453 529 1H2* G 210 1H2* G 210 7.230 8.351 -12.663 530 2HO* G 210 2HO* G 210 5.331 6.654 -11.375 531 H1* G 210 H1* G 210 6.523 7.701 -9.920 532 H8 G 210 H8 G 210 9.622 8.826 -11.893 533 H1 G 210 H1 G 210 7.829 12.712 -7.039 534 1H2 G 210 1H2 G 210 6.200 11.899 -6.072 535 2H2 G 210 2H2 G 210 5.433 10.390 -6.511 536 1H5* A 211 1H5* A 211 7.596 2.976 -11.727 537 2H5* A 211 2H5* A 211 7.042 1.382 -12.241 538 H4* A 211 H4* A 211 6.538 1.652 -9.922 539 H3* A 211 H3* A 211 4.266 1.499 -11.812 540 1H2* A 211 1H2* A 211 3.320 3.141 -10.364 541 2HO* A 211 2HO* A 211 2.131 1.182 -10.444 542 H1* A 211 H1* A 211 4.531 1.675 -7.982 543 H8 A 211 H8 A 211 4.798 5.242 -9.362 544 1H6 A 211 1H6 A 211 2.395 7.011 -3.881 545 2H6 A 211 2H6 A 211 3.036 7.591 -5.401 546 H2 A 211 H2 A 211 2.538 2.570 -3.968 547 1H5* G 212 1H5* G 212 3.262 -3.533 -10.126 548 2H5* G 212 2H5* G 212 2.442 -3.286 -8.585 549 H4* G 212 H4* G 212 5.232 -3.746 -9.131 550 H3* G 212 H3* G 212 3.382 -3.968 -6.843 551 1H2* G 212 1H2* G 212 4.754 -2.880 -5.392 552 2HO* G 212 2HO* G 212 6.794 -4.528 -6.578 553 H1* G 212 H1* G 212 6.939 -2.537 -7.437 554 H8 G 212 H8 G 212 4.039 -0.370 -6.155 555 H1 G 212 H1 G 212 9.975 1.938 -5.010 556 1H2 G 212 1H2 G 212 11.381 0.595 -5.697 557 2H2 G 212 2H2 G 212 11.007 -0.930 -6.468 558 1H5* G 213 1H5* G 213 2.360 -5.283 -8.596 559 2H5* G 213 2H5* G 213 1.311 -6.677 -8.856 560 H4* G 213 H4* G 213 1.934 -6.089 -11.003 561 H3* G 213 H3* G 213 3.683 -8.316 -10.015 562 1H2* G 213 1H2* G 213 5.040 -8.196 -11.870 563 2HO* G 213 2HO* G 213 3.578 -6.863 -13.668 564 H1* G 213 H1* G 213 4.760 -5.487 -12.531 565 H8 G 213 H8 G 213 5.280 -6.797 -8.964 566 H1 G 213 H1 G 213 10.539 -4.345 -11.831 567 1H2 G 213 1H2 G 213 10.078 -3.802 -13.766 568 2H2 G 213 2H2 G 213 8.502 -3.984 -14.503 569 1H5* C 214 1H5* C 214 1.856 -9.639 -13.606 570 2H5* C 214 2H5* C 214 1.679 -11.386 -13.777 571 H4* C 214 H4* C 214 3.213 -10.625 -15.435 572 H3* C 214 H3* C 214 4.528 -12.141 -13.182 573 1H2* C 214 1H2* C 214 6.561 -12.091 -14.385 574 2HO* C 214 2HO* C 214 5.335 -10.762 -16.565 575 H1* C 214 H1* C 214 6.375 -9.401 -15.085 576 1H4 C 214 1H4 C 214 9.672 -8.991 -9.665 577 2H4 C 214 2H4 C 214 8.342 -9.684 -8.764 578 H5 C 214 H5 C 214 6.327 -10.422 -9.751 579 H6 C 214 H6 C 214 5.081 -10.680 -11.868 580 1H5* U 215 1H5* U 215 5.155 -13.767 -16.588 581 2H5* U 215 2H5* U 215 5.266 -15.476 -17.005 582 H4* U 215 H4* U 215 7.375 -14.490 -17.460 583 H3* U 215 H3* U 215 7.419 -16.167 -14.946 584 1H2* U 215 1H2* U 215 9.655 -15.700 -14.701 585 2HO* U 215 2HO* U 215 10.550 -16.440 -16.538 586 H1* U 215 H1* U 215 9.726 -13.265 -16.217 587 H3 U 215 H3 U 215 11.282 -11.625 -12.335 588 H5 U 215 H5 U 215 7.442 -12.947 -11.318 589 H6 U 215 H6 U 215 7.258 -13.850 -13.590 590 1H5* A 216 1H5* A 216 9.661 -17.749 -17.769 591 2H5* A 216 2H5* A 216 9.864 -19.453 -18.176 592 H4* A 216 H4* A 216 11.987 -18.662 -17.522 593 H3* A 216 H3* A 216 10.661 -20.401 -15.482 594 1H2* A 216 1H2* A 216 12.325 -20.038 -13.913 595 2HO* A 216 2HO* A 216 14.042 -18.874 -15.849 596 H1* A 216 H1* A 216 12.919 -17.362 -14.933 597 H8 A 216 H8 A 216 9.517 -18.311 -13.555 598 1H6 A 216 1H6 A 216 11.430 -15.725 -8.206 599 2H6 A 216 2H6 A 216 10.057 -16.433 -9.027 600 H2 A 216 H2 A 216 14.868 -15.803 -11.020 601 1H5* G 217 1H5* G 217 14.205 -21.676 -16.214 602 2H5* G 217 2H5* G 217 14.855 -23.303 -16.009 603 H4* G 217 H4* G 217 15.602 -22.190 -14.123 604 H3* G 217 H3* G 217 12.974 -23.398 -13.177 605 1H2* G 217 1H2* G 217 13.955 -23.193 -11.044 606 2HO* G 217 2HO* G 217 16.374 -22.738 -11.136 607 H1* G 217 H1* G 217 15.259 -20.741 -11.713 608 H8 G 217 H8 G 217 11.576 -21.393 -12.469 609 H1 G 217 H1 G 217 12.723 -18.107 -7.013 610 1H2 G 217 1H2 G 217 14.756 -18.015 -6.679 611 2H2 G 217 2H2 G 217 15.970 -18.723 -7.721 612 1H5* U 218 1H5* U 218 16.042 -25.975 -12.244 613 2H5* U 218 2H5* U 218 15.810 -27.705 -11.987 614 H4* U 218 H4* U 218 16.548 -26.808 -9.932 615 H3* U 218 H3* U 218 13.581 -27.367 -9.904 616 1H2* U 218 1H2* U 218 13.504 -26.760 -7.657 617 2HO* U 218 2HO* U 218 15.638 -26.783 -6.521 618 H1* U 218 H1* U 218 15.562 -24.762 -7.900 619 H3 U 218 H3 U 218 12.218 -22.163 -6.370 620 H5 U 218 H5 U 218 10.803 -23.442 -10.099 621 H6 U 218 H6 U 218 12.784 -24.880 -10.248 622 1H5* C 219 1H5* C 219 15.327 -29.258 -6.241 623 2H5* C 219 2H5* C 219 14.499 -30.814 -6.203 624 H4* C 219 H4* C 219 14.181 -29.732 -4.098 625 H3* C 219 H3* C 219 11.772 -29.999 -5.835 626 1H2* C 219 1H2* C 219 10.418 -28.763 -4.382 627 2HO* C 219 2HO* C 219 12.104 -28.345 -2.300 628 H1* C 219 H1* C 219 12.539 -26.919 -3.726 629 1H4 C 219 1H4 C 219 8.607 -23.409 -7.303 630 2H4 C 219 2H4 C 219 8.996 -24.378 -8.707 631 H5 C 219 H5 C 219 10.393 -26.280 -8.646 632 H6 C 219 H6 C 219 11.776 -27.736 -7.209 633 1H5* C 220 1H5* C 220 10.555 -32.101 -2.269 634 2H5* C 220 2H5* C 220 10.052 -33.748 -2.651 635 H4* C 220 H4* C 220 8.193 -32.898 -1.589 636 H3* C 220 H3* C 220 7.862 -32.744 -4.547 637 1H2* C 220 1H2* C 220 5.824 -31.570 -4.384 638 2HO* C 220 2HO* C 220 5.385 -31.329 -1.789 639 H1* C 220 H1* C 220 6.800 -29.842 -2.337 640 1H4 C 220 1H4 C 220 7.177 -26.110 -7.472 641 2H4 C 220 2H4 C 220 8.293 -27.220 -8.235 642 H5 C 220 H5 C 220 8.965 -29.273 -7.281 643 H6 C 220 H6 C 220 8.730 -30.781 -5.340 No H/Q in entry = 643 Start of MODEL 24 1 H MET 1 HN MET 1 -0.386 -12.258 -1.079 2 HA MET 1 HA MET 1 -1.537 -9.681 -0.342 3 1HB MET 1 2HB MET 1 -3.014 -11.676 0.253 4 2HB MET 1 3HB MET 1 -1.708 -12.309 1.234 5 1HG MET 1 2HG MET 1 -2.907 -11.160 2.871 6 2HG MET 1 3HG MET 1 -1.799 -9.895 2.379 7 1HE MET 1 2HE MET 1 -2.322 -7.856 1.884 8 2HE MET 1 3HE MET 1 -3.884 -7.133 1.437 9 3HE MET 1 1HE MET 1 -3.626 -7.743 3.089 10 H GLN 2 HN GLN 2 0.654 -12.405 0.608 11 HA GLN 2 HA GLN 2 1.866 -11.154 2.714 12 1HB GLN 2 2HB GLN 2 2.152 -13.565 1.335 13 2HB GLN 2 3HB GLN 2 3.706 -12.794 1.088 14 1HG GLN 2 2HG GLN 2 3.350 -12.276 3.756 15 2HG GLN 2 3HG GLN 2 2.453 -13.775 3.623 16 1HE2 GLN 2 2HE2 GLN 2 6.187 -14.218 4.327 17 2HE2 GLN 2 1HE2 GLN 2 4.999 -13.117 4.944 18 H LYS 3 HN LYS 3 2.183 -10.603 -0.753 19 HA LYS 3 HA LYS 3 3.282 -9.083 -1.916 20 1HB LYS 3 2HB LYS 3 3.644 -7.865 0.825 21 2HB LYS 3 3HB LYS 3 4.321 -7.120 -0.610 22 1HG LYS 3 2HG LYS 3 1.398 -7.940 -0.559 23 2HG LYS 3 3HG LYS 3 1.899 -6.435 0.186 24 1HD LYS 3 2HD LYS 3 2.634 -5.504 -1.873 25 2HD LYS 3 3HD LYS 3 2.793 -7.072 -2.640 26 1HE LYS 3 2HE LYS 3 0.804 -6.173 -3.586 27 2HE LYS 3 3HE LYS 3 0.221 -7.297 -2.375 28 1HZ LYS 3 1HZ LYS 3 -0.957 -5.278 -2.043 29 2HZ LYS 3 2HZ LYS 3 0.133 -5.301 -0.832 30 H GLY 4 HN GLY 4 4.524 -11.418 -1.844 31 1HA GLY 4 1HA GLY 4 7.039 -11.588 -0.660 32 2HA GLY 4 2HA GLY 4 6.511 -12.432 -2.103 33 H ASN 5 HN ASN 5 5.887 -9.714 -3.439 34 HA ASN 5 HA ASN 5 8.246 -9.513 -4.832 35 1HB ASN 5 2HB ASN 5 5.716 -8.545 -5.173 36 2HB ASN 5 3HB ASN 5 6.488 -7.073 -4.614 37 1HD2 ASN 5 2HD2 ASN 5 7.882 -6.294 -7.667 38 2HD2 ASN 5 1HD2 ASN 5 7.282 -5.826 -6.111 39 H PHE 6 HN PHE 6 7.354 -8.369 -1.687 40 HA PHE 6 HA PHE 6 8.690 -5.941 -1.540 41 1HB PHE 6 2HB PHE 6 7.214 -6.615 0.247 42 2HB PHE 6 3HB PHE 6 7.917 -8.218 0.338 43 HD1 PHE 6 HD1 PHE 6 10.362 -8.361 1.198 44 HD2 PHE 6 HD2 PHE 6 7.863 -4.979 1.768 45 HE1 PHE 6 HE1 PHE 6 11.804 -7.619 3.113 46 HE2 PHE 6 HE2 PHE 6 9.305 -4.237 3.684 47 HZ PHE 6 HZ PHE 6 11.258 -5.566 4.334 48 H ARG 7 HN ARG 7 9.930 -9.154 -1.946 49 HA ARG 7 HA ARG 7 12.255 -8.978 -0.491 50 1HB ARG 7 2HB ARG 7 13.098 -10.753 -2.057 51 2HB ARG 7 3HB ARG 7 11.475 -11.090 -1.488 52 1HG ARG 7 2HG ARG 7 10.559 -10.873 -3.578 53 2HG ARG 7 3HG ARG 7 11.513 -9.453 -3.956 54 1HD ARG 7 2HD ARG 7 12.963 -12.092 -3.810 55 2HD ARG 7 3HD ARG 7 11.920 -11.822 -5.192 56 HE ARG 7 HE ARG 7 14.490 -10.630 -4.781 57 1HH1 ARG 7 2HH2 ARG 7 11.255 -9.747 -5.926 58 2HH1 ARG 7 1HH2 ARG 7 11.831 -8.482 -6.959 59 HH2 ARG 7 HH1 ARG 7 14.183 -8.037 -7.071 60 H ASN 8 HN ASN 8 11.214 -7.116 -3.165 61 HA ASN 8 HA ASN 8 13.457 -6.848 -4.690 62 1HB ASN 8 2HB ASN 8 12.531 -4.534 -5.218 63 2HB ASN 8 3HB ASN 8 11.346 -5.819 -5.362 64 1HD2 ASN 8 2HD2 ASN 8 10.106 -2.799 -3.399 65 2HD2 ASN 8 1HD2 ASN 8 10.992 -2.971 -4.877 66 H GLN 9 HN GLN 9 12.554 -5.466 -1.512 67 HA GLN 9 HA GLN 9 14.394 -3.420 -1.409 68 1HB GLN 9 2HB GLN 9 13.013 -5.104 0.697 69 2HB GLN 9 3HB GLN 9 14.188 -3.894 1.172 70 1HG GLN 9 2HG GLN 9 12.904 -2.112 0.110 71 2HG GLN 9 3HG GLN 9 11.828 -3.265 -0.655 72 1HE2 GLN 9 2HE2 GLN 9 11.618 -2.683 3.456 73 2HE2 GLN 9 1HE2 GLN 9 13.116 -2.558 2.594 74 H ARG 10 HN ARG 10 14.934 -6.777 -1.637 75 HA ARG 10 HA ARG 10 16.995 -7.223 0.079 76 1HB ARG 10 2HB ARG 10 17.619 -9.068 -1.410 77 2HB ARG 10 3HB ARG 10 15.872 -8.937 -1.394 78 1HG ARG 10 2HG ARG 10 15.792 -8.468 -3.619 79 2HG ARG 10 3HG ARG 10 17.011 -7.217 -3.475 80 1HD ARG 10 2HD ARG 10 18.501 -9.563 -3.134 81 2HD ARG 10 3HD ARG 10 17.307 -10.039 -4.326 82 HE ARG 10 HE ARG 10 18.211 -8.477 -5.866 83 1HH1 ARG 10 2HH2 ARG 10 19.740 -8.115 -2.691 84 2HH1 ARG 10 1HH2 ARG 10 21.021 -7.111 -3.284 85 HH2 ARG 10 HH1 ARG 10 21.095 -6.557 -5.614 86 H LYS 11 HN LYS 11 16.839 -5.086 -2.654 87 HA LYS 11 HA LYS 11 19.767 -4.983 -2.802 88 1HB LYS 11 2HB LYS 11 18.850 -5.473 -4.941 89 2HB LYS 11 3HB LYS 11 17.604 -4.251 -4.783 90 1HG LYS 11 2HG LYS 11 19.055 -2.495 -5.253 91 2HG LYS 11 3HG LYS 11 20.438 -3.295 -4.531 92 1HD LYS 11 2HD LYS 11 20.912 -3.349 -6.857 93 2HD LYS 11 3HD LYS 11 20.315 -4.962 -6.520 94 1HE LYS 11 2HE LYS 11 19.060 -4.412 -8.421 95 2HE LYS 11 3HE LYS 11 17.952 -3.947 -7.146 96 1HZ LYS 11 1HZ LYS 11 19.040 -2.289 -9.105 97 2HZ LYS 11 2HZ LYS 11 18.053 -1.844 -7.888 98 H THR 12 HN THR 12 17.311 -2.490 -3.640 99 HA THR 12 HA THR 12 17.493 -0.964 -1.337 100 HB THR 12 HB THR 12 19.986 -1.000 -2.320 101 HG1 THR 12 HG1 THR 12 18.511 1.457 -1.687 102 1HG2 THR 12 3HG2 THR 12 18.814 0.075 -4.546 103 2HG2 THR 12 1HG2 THR 12 19.079 1.559 -3.601 104 3HG2 THR 12 2HG2 THR 12 20.457 0.513 -4.021 105 H VAL 13 HN VAL 13 15.434 -1.731 -2.992 106 HA VAL 13 HA VAL 13 14.726 -0.217 -5.096 107 HB VAL 13 HB VAL 13 12.378 -0.451 -4.219 108 1HG1 VAL 13 3HG1 VAL 13 14.319 -2.538 -4.870 109 2HG1 VAL 13 1HG1 VAL 13 12.951 -3.153 -3.911 110 3HG1 VAL 13 2HG1 VAL 13 12.651 -2.304 -5.447 111 1HG2 VAL 13 1HG2 VAL 13 13.884 -1.546 -1.835 112 2HG2 VAL 13 2HG2 VAL 13 12.597 -0.317 -1.875 113 3HG2 VAL 13 3HG2 VAL 13 12.208 -2.023 -2.199 114 H LYS 14 HN LYS 14 13.445 1.760 -5.376 115 HA LYS 14 HA LYS 14 14.119 3.706 -3.287 116 1HB LYS 14 2HB LYS 14 14.389 5.322 -4.929 117 2HB LYS 14 3HB LYS 14 15.066 3.891 -5.680 118 1HG LYS 14 2HG LYS 14 12.435 3.643 -6.444 119 2HG LYS 14 3HG LYS 14 12.569 5.387 -6.354 120 1HD LYS 14 2HD LYS 14 14.894 4.142 -7.688 121 2HD LYS 14 3HD LYS 14 13.385 3.786 -8.503 122 1HE LYS 14 2HE LYS 14 13.319 5.880 -9.371 123 2HE LYS 14 3HE LYS 14 13.345 6.578 -7.764 124 1HZ LYS 14 1HZ LYS 14 15.382 7.314 -8.346 125 2HZ LYS 14 2HZ LYS 14 15.929 5.794 -8.154 126 H CYS 15 HN CYS 15 12.523 5.142 -2.505 127 HA CYS 15 HA CYS 15 9.872 4.059 -2.717 128 1HB CYS 15 2HB CYS 15 10.786 4.744 -0.528 129 2HB CYS 15 3HB CYS 15 10.922 6.399 -1.090 130 H PHE 16 HN PHE 16 8.624 4.658 -4.458 131 HA PHE 16 HA PHE 16 9.232 7.035 -5.914 132 1HB PHE 16 2HB PHE 16 7.111 4.826 -5.939 133 2HB PHE 16 3HB PHE 16 6.974 6.183 -7.039 134 HD1 PHE 16 HD1 PHE 16 9.784 6.608 -7.826 135 HD2 PHE 16 HD2 PHE 16 7.612 3.003 -7.288 136 HE1 PHE 16 HE1 PHE 16 11.307 5.448 -9.449 137 HE2 PHE 16 HE2 PHE 16 9.135 1.842 -8.911 138 HZ PHE 16 HZ PHE 16 10.965 3.079 -9.972 139 H ASN 17 HN ASN 17 7.910 6.786 -2.950 140 HA ASN 17 HA ASN 17 5.660 8.522 -3.498 141 1HB ASN 17 2HB ASN 17 5.700 6.464 -1.825 142 2HB ASN 17 3HB ASN 17 6.528 7.565 -0.740 143 1HD2 ASN 17 2HD2 ASN 17 3.344 8.367 0.470 144 2HD2 ASN 17 1HD2 ASN 17 4.839 7.528 0.721 145 H CYS 18 HN CYS 18 8.587 8.259 -1.336 146 HA CYS 18 HA CYS 18 8.480 11.143 -0.952 147 1HB CYS 18 2HB CYS 18 10.131 10.746 0.854 148 2HB CYS 18 3HB CYS 18 8.630 9.874 1.099 149 H GLY 19 HN GLY 19 10.606 8.414 -2.021 150 1HA GLY 19 1HA GLY 19 11.919 8.700 -4.000 151 2HA GLY 19 2HA GLY 19 12.190 10.375 -3.560 152 H LYS 20 HN LYS 20 12.249 7.742 -1.145 153 HA LYS 20 HA LYS 20 15.140 8.197 -0.900 154 1HB LYS 20 2HB LYS 20 12.984 8.278 1.029 155 2HB LYS 20 3HB LYS 20 14.146 7.046 1.477 156 1HG LYS 20 2HG LYS 20 15.925 8.586 1.659 157 2HG LYS 20 3HG LYS 20 15.176 9.741 0.574 158 1HD LYS 20 2HD LYS 20 13.524 10.372 2.261 159 2HD LYS 20 3HD LYS 20 14.021 9.063 3.316 160 1HE LYS 20 2HE LYS 20 16.391 10.188 3.262 161 2HE LYS 20 3HE LYS 20 15.563 11.589 2.612 162 1HZ LYS 20 1HZ LYS 20 15.488 10.543 5.300 163 2HZ LYS 20 2HZ LYS 20 15.199 12.059 4.783 164 H GLU 21 HN GLU 21 16.533 6.416 -0.770 165 HA GLU 21 HA GLU 21 15.370 4.021 -1.839 166 1HB GLU 21 2HB GLU 21 18.077 5.231 -1.661 167 2HB GLU 21 3HB GLU 21 18.064 3.486 -1.500 168 1HG GLU 21 2HG GLU 21 17.368 3.145 -3.676 169 2HG GLU 21 3HG GLU 21 16.331 4.556 -3.683 170 HE2 GLU 21 HE2 GLU 21 19.115 3.371 -4.802 171 H GLY 22 HN GLY 22 15.286 1.994 -0.801 172 1HA GLY 22 1HA GLY 22 16.337 0.713 1.088 173 2HA GLY 22 2HA GLY 22 15.882 2.074 2.095 174 H HIS 23 HN HIS 23 13.341 2.578 0.529 175 HA HIS 23 HA HIS 23 11.852 0.146 1.033 176 1HB HIS 23 2HB HIS 23 10.351 1.053 2.591 177 2HB HIS 23 3HB HIS 23 11.945 1.485 3.179 178 HD1 HIS 23 HD1 HIS 23 12.571 3.997 3.253 179 HD2 HIS 23 HD2 HIS 23 8.783 3.238 1.622 180 HE1 HIS 23 HE1 HIS 23 11.394 6.255 3.101 181 H ILE 24 HN ILE 24 9.613 0.283 0.115 182 HA ILE 24 HA ILE 24 9.624 2.161 -2.140 183 HB ILE 24 HB ILE 24 8.355 0.568 -3.356 184 1HG1 ILE 24 2HG1 ILE 24 8.316 -1.280 -0.961 185 2HG1 ILE 24 3HG1 ILE 24 7.005 -0.176 -1.323 186 1HG2 ILE 24 1HG2 ILE 24 10.934 0.247 -2.815 187 2HG2 ILE 24 2HG2 ILE 24 10.338 -1.264 -2.086 188 3HG2 ILE 24 3HG2 ILE 24 10.023 -0.919 -3.804 189 1HD1 ILE 24 2HD1 ILE 24 8.072 -2.103 -3.421 190 2HD1 ILE 24 3HD1 ILE 24 6.809 -2.578 -2.261 191 3HD1 ILE 24 1HD1 ILE 24 6.512 -1.246 -3.404 192 H ALA 25 HN ALA 25 7.409 2.913 -2.855 193 HA ALA 25 HA ALA 25 6.167 4.318 -0.879 194 1HB ALA 25 1HB ALA 25 5.268 3.305 -3.587 195 2HB ALA 25 2HB ALA 25 4.205 4.313 -2.577 196 3HB ALA 25 3HB ALA 25 5.778 4.946 -3.121 197 H LYS 26 HN LYS 26 5.612 0.949 -1.951 198 HA LYS 26 HA LYS 26 3.177 0.554 -0.655 199 1HB LYS 26 2HB LYS 26 5.391 -1.411 -1.316 200 2HB LYS 26 3HB LYS 26 3.769 -1.854 -0.824 201 1HG LYS 26 2HG LYS 26 3.937 0.104 -3.082 202 2HG LYS 26 3HG LYS 26 4.531 -1.505 -3.436 203 1HD LYS 26 2HD LYS 26 2.066 -1.797 -1.970 204 2HD LYS 26 3HD LYS 26 1.792 -0.611 -3.231 205 1HE LYS 26 2HE LYS 26 3.286 -2.617 -4.525 206 2HE LYS 26 3HE LYS 26 2.220 -3.518 -3.465 207 1HZ LYS 26 1HZ LYS 26 0.962 -3.163 -5.399 208 2HZ LYS 26 2HZ LYS 26 0.396 -1.996 -4.415 209 H ASN 27 HN ASN 27 6.591 0.152 0.466 210 HA ASN 27 HA ASN 27 5.570 -0.465 3.092 211 1HB ASN 27 2HB ASN 27 8.371 -0.432 1.867 212 2HB ASN 27 3HB ASN 27 8.118 -0.684 3.582 213 1HD2 ASN 27 2HD2 ASN 27 6.851 -3.502 0.813 214 2HD2 ASN 27 1HD2 ASN 27 7.016 -1.828 0.403 215 H CYS 28 HN CYS 28 5.591 2.281 1.531 216 HA CYS 28 HA CYS 28 7.350 3.853 3.188 217 1HB CYS 28 2HB CYS 28 7.122 4.379 0.789 218 2HB CYS 28 3HB CYS 28 5.412 4.696 1.006 219 H ARG 29 HN ARG 29 6.648 5.194 4.894 220 HA ARG 29 HA ARG 29 4.139 4.498 5.986 221 1HB ARG 29 2HB ARG 29 6.596 5.684 6.896 222 2HB ARG 29 3HB ARG 29 5.318 6.821 7.279 223 1HG ARG 29 2HG ARG 29 4.441 5.470 8.900 224 2HG ARG 29 3HG ARG 29 4.541 4.041 7.889 225 1HD ARG 29 2HD ARG 29 7.153 4.229 8.352 226 2HD ARG 29 3HD ARG 29 6.658 5.216 9.714 227 HE ARG 29 HE ARG 29 5.256 2.627 9.455 228 1HH1 ARG 29 2HH2 ARG 29 7.908 4.416 10.979 229 2HH1 ARG 29 1HH2 ARG 29 8.087 3.287 12.280 230 HH2 ARG 29 HH1 ARG 29 6.657 1.366 12.373 231 H ALA 30 HN ALA 30 5.522 7.214 4.137 232 HA ALA 30 HA ALA 30 3.626 9.161 4.706 233 1HB ALA 30 3HB ALA 30 5.347 8.587 2.268 234 2HB ALA 30 1HB ALA 30 4.362 10.060 2.442 235 3HB ALA 30 2HB ALA 30 5.677 9.726 3.595 236 HA PRO 31 HA PRO 31 0.115 7.851 2.550 237 1HB PRO 31 2HB PRO 31 -1.076 10.213 1.866 238 2HB PRO 31 3HB PRO 31 -1.181 9.516 3.470 239 1HG PRO 31 2HG PRO 31 0.440 11.809 2.547 240 2HG PRO 31 3HG PRO 31 -0.006 11.368 4.184 241 1HD PRO 31 2HD PRO 31 2.547 10.973 2.936 242 2HD PRO 31 3HD PRO 31 2.064 10.429 4.529 243 H ARG 32 HN ARG 32 -0.881 7.367 0.558 244 HA ARG 32 HA ARG 32 0.917 7.307 -1.495 245 1HB ARG 32 2HB ARG 32 -2.136 7.282 -1.718 246 2HB ARG 32 3HB ARG 32 -1.024 6.649 -2.915 247 1HG ARG 32 2HG ARG 32 -0.723 5.607 -0.112 248 2HG ARG 32 3HG ARG 32 -2.154 5.100 -0.988 249 1HD ARG 32 2HD ARG 32 -0.465 3.447 -1.462 250 2HD ARG 32 3HD ARG 32 -0.621 4.408 -2.920 251 HE ARG 32 HE ARG 32 1.593 5.076 -2.641 252 1HH1 ARG 32 2HH2 ARG 32 0.324 4.127 0.528 253 2HH1 ARG 32 1HH2 ARG 32 1.838 4.354 1.340 254 HH2 ARG 32 HH1 ARG 32 3.744 5.089 0.087 255 H LYS 33 HN LYS 33 1.835 9.171 -2.353 256 HA LYS 33 HA LYS 33 -0.042 11.134 -3.438 257 1HB LYS 33 2HB LYS 33 2.098 11.599 -1.416 258 2HB LYS 33 3HB LYS 33 1.944 12.785 -2.697 259 1HG LYS 33 2HG LYS 33 -0.273 13.360 -2.089 260 2HG LYS 33 3HG LYS 33 -0.547 11.844 -1.254 261 1HD LYS 33 2HD LYS 33 0.413 12.586 0.702 262 2HD LYS 33 3HD LYS 33 1.680 13.466 -0.127 263 1HE LYS 33 2HE LYS 33 -1.007 14.630 -0.572 264 2HE LYS 33 3HE LYS 33 -0.549 14.605 1.119 265 1HZ LYS 33 1HZ LYS 33 0.286 16.615 0.128 266 2HZ LYS 33 2HZ LYS 33 1.584 15.681 0.431 267 H LYS 34 HN LYS 34 1.645 12.818 -4.740 268 HA LYS 34 HA LYS 34 3.569 11.175 -6.169 269 1HB LYS 34 2HB LYS 34 1.240 11.008 -7.255 270 2HB LYS 34 3HB LYS 34 1.459 12.684 -7.715 271 1HG LYS 34 2HG LYS 34 3.096 12.194 -9.269 272 2HG LYS 34 3HG LYS 34 3.792 10.913 -8.295 273 1HD LYS 34 2HD LYS 34 2.702 9.366 -9.538 274 2HD LYS 34 3HD LYS 34 1.164 10.040 -9.038 275 1HE LYS 34 2HE LYS 34 2.504 11.678 -11.105 276 2HE LYS 34 3HE LYS 34 2.182 10.043 -11.646 277 1HZ LYS 34 1HZ LYS 34 -0.162 10.457 -10.710 278 2HZ LYS 34 2HZ LYS 34 0.222 12.040 -10.697 279 H GLY 35 HN GLY 35 4.341 12.985 -4.343 280 1HA GLY 35 1HA GLY 35 4.611 15.607 -5.569 281 2HA GLY 35 2HA GLY 35 5.159 15.101 -3.984 282 H CYS 36 HN CYS 36 6.248 16.115 -6.946 283 HA CYS 36 HA CYS 36 8.247 14.331 -7.618 284 1HB CYS 36 2HB CYS 36 7.649 16.041 -9.168 285 2HB CYS 36 3HB CYS 36 7.988 17.320 -8.018 286 H TRP 37 HN TRP 37 10.050 13.706 -6.480 287 HA TRP 37 HA TRP 37 10.754 15.187 -4.105 288 1HB TRP 37 2HB TRP 37 12.520 12.997 -4.767 289 2HB TRP 37 3HB TRP 37 11.509 13.246 -3.356 290 HD1 TRP 37 HD1 TRP 37 8.782 12.456 -3.767 291 HE1 TRP 37 HE1 TRP 37 7.776 10.375 -5.039 292 HE3 TRP 37 HE3 TRP 37 12.909 11.523 -6.587 293 HZ2 TRP 37 HZ2 TRP 37 8.797 8.611 -7.038 294 HZ3 TRP 37 HZ3 TRP 37 12.821 9.603 -8.174 295 HH2 TRP 37 HH2 TRP 37 10.856 8.171 -8.424 296 H LYS 38 HN LYS 38 11.050 16.657 -6.565 297 HA LYS 38 HA LYS 38 13.962 16.952 -6.551 298 1HB LYS 38 2HB LYS 38 12.579 15.840 -8.680 299 2HB LYS 38 3HB LYS 38 12.721 17.522 -9.146 300 1HG LYS 38 2HG LYS 38 14.706 16.408 -9.955 301 2HG LYS 38 3HG LYS 38 15.203 17.401 -8.599 302 1HD LYS 38 2HD LYS 38 15.207 15.459 -7.097 303 2HD LYS 38 3HD LYS 38 14.508 14.439 -8.338 304 1HE LYS 38 2HE LYS 38 16.556 13.997 -9.213 305 2HE LYS 38 3HE LYS 38 16.896 15.704 -9.403 306 1HZ LYS 38 1HZ LYS 38 18.484 14.718 -7.882 307 2HZ LYS 38 2HZ LYS 38 17.553 15.746 -7.027 308 H CYS 39 HN CYS 39 10.755 18.374 -7.460 309 HA CYS 39 HA CYS 39 11.914 20.985 -6.824 310 1HB CYS 39 2HB CYS 39 9.965 21.901 -8.133 311 2HB CYS 39 3HB CYS 39 11.142 21.007 -9.072 312 H GLY 40 HN GLY 40 9.400 18.554 -6.156 313 1HA GLY 40 1HA GLY 40 8.392 18.328 -4.067 314 2HA GLY 40 2HA GLY 40 8.675 20.024 -3.726 315 H LYS 41 HN LYS 41 7.479 19.185 -6.934 316 HA LYS 41 HA LYS 41 4.947 20.448 -6.226 317 1HB LYS 41 2HB LYS 41 6.715 20.727 -8.394 318 2HB LYS 41 3HB LYS 41 5.328 19.879 -9.047 319 1HG LYS 41 2HG LYS 41 3.800 21.608 -8.132 320 2HG LYS 41 3HG LYS 41 5.151 22.435 -7.382 321 1HD LYS 41 2HD LYS 41 5.800 23.421 -9.344 322 2HD LYS 41 3HD LYS 41 5.574 21.952 -10.270 323 1HE LYS 41 2HE LYS 41 3.223 22.355 -10.557 324 2HE LYS 41 3HE LYS 41 3.185 23.554 -9.280 325 1HZ LYS 41 1HZ LYS 41 3.904 23.907 -12.033 326 2HZ LYS 41 2HZ LYS 41 3.472 25.033 -10.940 327 H GLU 42 HN GLU 42 3.088 19.307 -6.025 328 HA GLU 42 HA GLU 42 3.280 16.482 -6.472 329 1HB GLU 42 2HB GLU 42 1.115 16.377 -5.303 330 2HB GLU 42 3HB GLU 42 2.253 17.351 -4.394 331 1HG GLU 42 2HG GLU 42 1.251 19.428 -5.419 332 2HG GLU 42 3HG GLU 42 0.076 18.427 -6.250 333 HE1 GLU 42 HE2 GLU 42 -0.365 19.140 -2.346 334 H GLY 43 HN GLY 43 2.546 15.435 -8.277 335 1HA GLY 43 1HA GLY 43 0.389 15.426 -9.672 336 2HA GLY 43 2HA GLY 43 0.943 17.009 -10.182 337 H HIS 44 HN HIS 44 3.719 16.690 -10.401 338 HA HIS 44 HA HIS 44 3.827 14.763 -12.594 339 1HB HIS 44 2HB HIS 44 5.479 16.115 -13.595 340 2HB HIS 44 3HB HIS 44 4.223 17.207 -13.046 341 HD1 HIS 44 HD1 HIS 44 4.858 18.999 -11.335 342 HD2 HIS 44 HD2 HIS 44 7.910 16.203 -12.019 343 HE1 HIS 44 HE1 HIS 44 6.942 19.917 -10.182 344 H GLN 45 HN GLN 45 6.357 14.080 -12.923 345 HA GLN 45 HA GLN 45 7.274 13.259 -10.279 346 1HB GLN 45 2HB GLN 45 7.849 11.050 -11.166 347 2HB GLN 45 3HB GLN 45 6.147 11.365 -11.439 348 1HG GLN 45 2HG GLN 45 7.397 12.409 -13.739 349 2HG GLN 45 3HG GLN 45 8.306 10.949 -13.399 350 1HE2 GLN 45 2HE2 GLN 45 5.901 8.734 -14.517 351 2HE2 GLN 45 1HE2 GLN 45 7.515 9.060 -13.980 352 H MET 46 HN MET 46 9.661 12.617 -10.279 353 HA MET 46 HA MET 46 11.183 14.660 -11.198 354 1HB MET 46 2HB MET 46 11.891 13.020 -9.463 355 2HB MET 46 3HB MET 46 11.938 11.735 -10.655 356 1HG MET 46 2HG MET 46 13.630 13.460 -11.884 357 2HG MET 46 3HG MET 46 13.864 14.012 -10.238 358 1HE MET 46 2HE MET 46 13.408 10.942 -12.410 359 2HE MET 46 3HE MET 46 15.094 11.347 -12.814 360 3HE MET 46 1HE MET 46 14.727 9.846 -11.932 361 H LYS 47 HN LYS 47 10.433 11.524 -12.801 362 HA LYS 47 HA LYS 47 12.264 11.707 -14.871 363 1HB LYS 47 2HB LYS 47 10.831 9.732 -14.173 364 2HB LYS 47 3HB LYS 47 9.503 10.476 -15.041 365 1HG LYS 47 2HG LYS 47 10.515 10.178 -17.140 366 2HG LYS 47 3HG LYS 47 12.138 10.181 -16.481 367 1HD LYS 47 2HD LYS 47 12.091 7.915 -16.569 368 2HD LYS 47 3HD LYS 47 10.929 7.951 -15.258 369 1HE LYS 47 2HE LYS 47 9.616 6.825 -16.784 370 2HE LYS 47 3HE LYS 47 9.224 8.450 -17.310 371 1HZ LYS 47 1HZ LYS 47 11.542 7.839 -18.652 372 2HZ LYS 47 2HZ LYS 47 10.699 6.446 -18.710 373 H ASP 48 HN ASP 48 9.038 13.200 -14.415 374 HA ASP 48 HA ASP 48 9.471 14.549 -16.962 375 1HB ASP 48 2HB ASP 48 7.223 13.168 -15.977 376 2HB ASP 48 3HB ASP 48 6.806 14.852 -15.729 377 HD1 ASP 48 HD2 ASP 48 8.250 15.618 -18.312 378 H CYS 49 HN CYS 49 10.757 15.291 -14.409 379 HA CYS 49 HA CYS 49 9.448 17.135 -12.898 380 1HB CYS 49 2HB CYS 49 11.744 16.230 -12.486 381 2HB CYS 49 3HB CYS 49 12.362 17.292 -13.735 382 H THR 50 HN THR 50 8.276 18.891 -13.595 383 HA THR 50 HA THR 50 8.859 20.092 -16.144 384 HB THR 50 HB THR 50 6.763 21.210 -15.770 385 HG1 THR 50 HG1 THR 50 7.483 20.565 -13.003 386 1HG2 THR 50 3HG2 THR 50 6.781 18.500 -15.517 387 2HG2 THR 50 1HG2 THR 50 6.214 18.927 -13.885 388 3HG2 THR 50 2HG2 THR 50 5.293 19.456 -15.314 389 H GLU 51 HN GLU 51 10.467 20.281 -13.289 390 HA GLU 51 HA GLU 51 11.055 23.097 -13.776 391 1HB GLU 51 2HB GLU 51 10.593 21.604 -11.212 392 2HB GLU 51 3HB GLU 51 11.840 22.837 -11.199 393 1HG GLU 51 2HG GLU 51 9.468 23.832 -12.585 394 2HG GLU 51 3HG GLU 51 9.024 23.224 -11.002 395 HE2 GLU 51 HE2 GLU 51 10.053 25.881 -9.411 396 H ARG 52 HN ARG 52 12.773 21.079 -11.409 397 HA ARG 52 HA ARG 52 14.740 20.167 -11.383 398 1HB ARG 52 2HB ARG 52 14.002 19.401 -13.838 399 2HB ARG 52 3HB ARG 52 15.228 20.543 -14.351 400 1HG ARG 52 2HG ARG 52 15.748 18.310 -12.334 401 2HG ARG 52 3HG ARG 52 16.052 18.149 -14.053 402 1HD ARG 52 2HD ARG 52 17.545 20.241 -13.872 403 2HD ARG 52 3HD ARG 52 17.381 20.115 -12.132 404 HE ARG 52 HE ARG 52 18.708 18.145 -12.143 405 1HH1 ARG 52 2HH2 ARG 52 18.021 19.205 -15.453 406 2HH1 ARG 52 1HH2 ARG 52 19.206 18.160 -16.166 407 HH2 ARG 52 HH1 ARG 52 20.515 16.735 -14.752 408 H GLN 53 HN GLN 53 15.974 21.688 -10.274 409 HA GLN 53 HA GLN 53 17.832 23.179 -11.717 410 1HB GLN 53 2HB GLN 53 17.113 25.467 -11.185 411 2HB GLN 53 3HB GLN 53 15.892 24.664 -12.152 412 1HG GLN 53 2HG GLN 53 14.338 24.946 -10.526 413 2HG GLN 53 3HG GLN 53 15.350 24.124 -9.356 414 1HE2 GLN 53 2HE2 GLN 53 14.915 28.169 -9.382 415 2HE2 GLN 53 1HE2 GLN 53 14.119 27.093 -10.481 416 H ALA 54 HN ALA 54 19.459 24.107 -10.300 417 HA ALA 54 HA ALA 54 19.378 22.905 -7.668 418 1HB ALA 54 1HB ALA 54 21.360 22.759 -9.217 419 2HB ALA 54 2HB ALA 54 21.572 24.516 -9.031 420 3HB ALA 54 3HB ALA 54 21.740 23.445 -7.619 421 H ASN 55 HN ASN 55 19.610 24.087 -5.692 422 HA ASN 55 HA ASN 55 18.898 26.897 -6.013 423 1HB ASN 55 2HB ASN 55 17.769 26.651 -3.750 424 2HB ASN 55 3HB ASN 55 17.028 25.682 -5.007 425 1HD2 ASN 55 2HD2 ASN 55 17.604 22.595 -3.539 426 2HD2 ASN 55 1HD2 ASN 55 16.934 23.536 -4.830 427 1H5* G 201 1H5* G 201 -1.118 -17.349 -5.584 428 2H5* G 201 2H5* G 201 0.109 -16.367 -4.785 429 H4* G 201 H4* G 201 -0.199 -18.882 -4.156 430 H3* G 201 H3* G 201 2.662 -18.018 -4.673 431 1H2* G 201 1H2* G 201 3.028 -19.518 -2.884 432 2HO* G 201 2HO* G 201 1.525 -18.683 -1.454 433 H1* G 201 H1* G 201 1.021 -21.304 -3.653 434 H8 G 201 H8 G 201 3.298 -19.518 -6.165 435 H1 G 201 H1 G 201 4.932 -25.625 -4.781 436 1H2 G 201 1H2 G 201 3.671 -26.363 -3.326 437 2H2 G 201 2H2 G 201 2.365 -25.461 -2.591 438 1H5* G 202 1H5* G 202 2.459 -17.038 -0.809 439 2H5* G 202 2H5* G 202 3.311 -15.576 -0.309 440 H4* G 202 H4* G 202 4.255 -17.362 0.913 441 H3* G 202 H3* G 202 6.024 -16.414 -1.328 442 1H2* G 202 1H2* G 202 7.693 -17.943 -0.685 443 2HO* G 202 2HO* G 202 6.012 -18.419 1.604 444 H1* G 202 H1* G 202 5.886 -20.063 -0.200 445 H8 G 202 H8 G 202 5.634 -17.782 -3.261 446 H1 G 202 H1 G 202 8.587 -23.452 -4.272 447 1H2 G 202 1H2 G 202 8.765 -24.464 -2.483 448 2H2 G 202 2H2 G 202 8.199 -23.865 -0.940 449 1H5* A 203 1H5* A 203 8.544 -16.801 2.141 450 2H5* A 203 2H5* A 203 9.110 -15.157 2.438 451 H4* A 203 H4* A 203 11.048 -16.394 2.609 452 H3* A 203 H3* A 203 10.819 -15.083 -0.030 453 1H2* A 203 1H2* A 203 12.602 -16.267 -1.010 454 2HO* A 203 2HO* A 203 13.181 -17.704 1.337 455 H1* A 203 H1* A 203 11.806 -18.766 0.066 456 H8 A 203 H8 A 203 9.318 -16.335 -1.515 457 1H6 A 203 1H6 A 203 9.807 -19.891 -6.621 458 2H6 A 203 2H6 A 203 8.971 -18.524 -5.920 459 H2 A 203 H2 A 203 12.684 -21.405 -3.591 460 1H5* C 204 1H5* C 204 14.787 -15.147 1.069 461 2H5* C 204 2H5* C 204 15.752 -13.746 0.602 462 H4* C 204 H4* C 204 16.583 -15.816 -0.400 463 H3* C 204 H3* C 204 15.550 -13.670 -2.244 464 1H2* C 204 1H2* C 204 16.002 -14.986 -4.083 465 2HO* C 204 2HO* C 204 17.809 -16.497 -3.853 466 H1* C 204 H1* C 204 15.746 -17.527 -2.784 467 1H4 C 204 1H4 C 204 10.516 -17.246 -6.406 468 2H4 C 204 2H4 C 204 9.893 -15.931 -5.436 469 H5 C 204 H5 C 204 11.084 -14.927 -3.659 470 H6 C 204 H6 C 204 13.186 -14.938 -2.365 471 1H5* U 205 1H5* U 205 19.843 -13.952 -2.729 472 2H5* U 205 2H5* U 205 20.658 -12.559 -3.438 473 H4* U 205 H4* U 205 20.758 -14.461 -4.934 474 H3* U 205 H3* U 205 19.071 -12.140 -5.868 475 1H2* U 205 1H2* U 205 18.723 -13.225 -7.902 476 2HO* U 205 2HO* U 205 20.438 -14.374 -8.666 477 H1* U 205 H1* U 205 18.724 -15.854 -6.695 478 H3 U 205 H3 U 205 14.706 -15.941 -8.746 479 H5 U 205 H5 U 205 14.245 -12.965 -5.835 480 H6 U 205 H6 U 205 16.633 -13.215 -5.342 481 1H5* A 206 1H5* A 206 21.269 -12.154 -8.743 482 2H5* A 206 2H5* A 206 22.005 -10.661 -9.325 483 H4* A 206 H4* A 206 20.481 -11.252 -10.988 484 H3* A 206 H3* A 206 19.051 -9.245 -9.207 485 1H2* A 206 1H2* A 206 17.487 -9.087 -10.920 486 2HO* A 206 2HO* A 206 18.656 -10.261 -13.005 487 H1* A 206 H1* A 206 17.880 -11.801 -11.819 488 H8 A 206 H8 A 206 17.050 -10.955 -8.205 489 1H6 A 206 1H6 A 206 11.144 -12.295 -9.711 490 2H6 A 206 2H6 A 206 12.210 -11.879 -8.388 491 H2 A 206 H2 A 206 13.592 -12.450 -13.415 492 1H5* G 207 1H5* G 207 20.143 -7.755 -12.619 493 2H5* G 207 2H5* G 207 20.255 -6.074 -13.142 494 H4* G 207 H4* G 207 18.298 -6.969 -14.120 495 H3* G 207 H3* G 207 17.508 -5.300 -11.708 496 1H2* G 207 1H2* G 207 15.338 -5.439 -12.507 497 2HO* G 207 2HO* G 207 15.112 -5.713 -14.856 498 H1* G 207 H1* G 207 15.784 -7.961 -13.879 499 H8 G 207 H8 G 207 16.364 -7.547 -10.150 500 H1 G 207 H1 G 207 10.529 -9.847 -11.749 501 1H2 G 207 1H2 G 207 10.302 -9.785 -13.797 502 2H2 G 207 2H2 G 207 11.512 -9.197 -14.915 503 1H5* C 208 1H5* C 208 18.069 -2.201 -15.203 504 2H5* C 208 2H5* C 208 17.685 -0.569 -14.654 505 H4* C 208 H4* C 208 16.006 -1.589 -16.196 506 H3* C 208 H3* C 208 15.282 -0.480 -13.519 507 1H2* C 208 1H2* C 208 13.065 -1.181 -13.683 508 2HO* C 208 2HO* C 208 13.768 -1.559 -16.452 509 H1* C 208 H1* C 208 13.750 -3.607 -15.099 510 1H4 C 208 1H4 C 208 11.868 -5.719 -9.392 511 2H4 C 208 2H4 C 208 13.274 -4.992 -8.645 512 H5 C 208 H5 C 208 14.846 -3.670 -9.809 513 H6 C 208 H6 C 208 15.464 -2.710 -11.999 514 1H5* G 209 1H5* G 209 13.023 0.891 -16.286 515 2H5* G 209 2H5* G 209 12.058 2.350 -16.505 516 H4* G 209 H4* G 209 10.781 0.830 -15.201 517 H3* G 209 H3* G 209 11.910 2.737 -13.125 518 1H2* G 209 1H2* G 209 9.855 2.273 -12.097 519 2HO* G 209 2HO* G 209 8.828 2.865 -14.161 520 H1* G 209 H1* G 209 9.622 -0.351 -12.859 521 H8 G 209 H8 G 209 12.966 1.392 -12.114 522 H1 G 209 H1 G 209 10.842 -2.668 -7.545 523 1H2 G 209 1H2 G 209 9.018 -3.449 -8.111 524 2H2 G 209 2H2 G 209 8.189 -3.061 -9.601 525 1H5* G 210 1H5* G 210 9.992 7.009 -12.595 526 2H5* G 210 2H5* G 210 10.773 6.390 -11.140 527 H4* G 210 H4* G 210 8.534 5.058 -10.845 528 H3* G 210 H3* G 210 7.815 6.626 -13.133 529 1H2* G 210 1H2* G 210 6.941 8.441 -12.056 530 2HO* G 210 2HO* G 210 5.410 6.276 -10.929 531 H1* G 210 H1* G 210 6.781 7.457 -9.312 532 H8 G 210 H8 G 210 9.777 8.681 -11.379 533 H1 G 210 H1 G 210 7.799 12.674 -6.686 534 1H2 G 210 1H2 G 210 6.136 11.879 -5.761 535 2H2 G 210 2H2 G 210 5.390 10.357 -6.191 536 1H5* A 211 1H5* A 211 8.069 3.203 -11.423 537 2H5* A 211 2H5* A 211 7.805 1.497 -11.780 538 H4* A 211 H4* A 211 6.859 1.744 -9.686 539 H3* A 211 H3* A 211 4.797 1.776 -11.826 540 1H2* A 211 1H2* A 211 3.776 3.380 -10.396 541 2HO* A 211 2HO* A 211 2.157 1.973 -10.029 542 H1* A 211 H1* A 211 4.763 1.769 -7.999 543 H8 A 211 H8 A 211 5.108 5.409 -9.160 544 1H6 A 211 1H6 A 211 2.366 6.868 -3.746 545 2H6 A 211 2H6 A 211 3.093 7.533 -5.192 546 H2 A 211 H2 A 211 2.545 2.439 -4.064 547 1H5* G 212 1H5* G 212 2.446 -1.911 -8.652 548 2H5* G 212 2H5* G 212 3.665 -0.637 -8.595 549 H4* G 212 H4* G 212 4.513 -3.213 -9.802 550 H3* G 212 H3* G 212 3.191 -3.407 -7.337 551 1H2* G 212 1H2* G 212 4.772 -2.729 -5.844 552 2HO* G 212 2HO* G 212 6.257 -4.720 -7.304 553 H1* G 212 H1* G 212 7.067 -2.557 -7.700 554 H8 G 212 H8 G 212 4.176 -0.224 -6.708 555 H1 G 212 H1 G 212 10.107 1.822 -5.118 556 1H2 G 212 1H2 G 212 11.499 0.416 -5.700 557 2H2 G 212 2H2 G 212 11.116 -1.092 -6.500 558 1H5* G 213 1H5* G 213 2.225 -4.586 -9.443 559 2H5* G 213 2H5* G 213 0.938 -5.732 -9.815 560 H4* G 213 H4* G 213 1.875 -5.563 -11.873 561 H3* G 213 H3* G 213 3.393 -7.762 -10.489 562 1H2* G 213 1H2* G 213 4.843 -7.949 -12.276 563 2HO* G 213 2HO* G 213 3.706 -6.746 -14.311 564 H1* G 213 H1* G 213 4.875 -5.303 -13.160 565 H8 G 213 H8 G 213 4.976 -6.480 -9.502 566 H1 G 213 H1 G 213 10.578 -4.302 -11.904 567 1H2 G 213 1H2 G 213 10.323 -3.782 -13.882 568 2H2 G 213 2H2 G 213 8.816 -3.916 -14.760 569 1H5* C 214 1H5* C 214 2.041 -9.059 -14.255 570 2H5* C 214 2H5* C 214 1.718 -10.788 -14.388 571 H4* C 214 H4* C 214 3.414 -10.257 -15.959 572 H3* C 214 H3* C 214 4.420 -11.756 -13.554 573 1H2* C 214 1H2* C 214 6.583 -11.845 -14.498 574 2HO* C 214 2HO* C 214 6.290 -12.193 -16.631 575 H1* C 214 H1* C 214 6.542 -9.141 -15.317 576 1H4 C 214 1H4 C 214 9.784 -8.835 -9.851 577 2H4 C 214 2H4 C 214 8.362 -9.316 -8.952 578 H5 C 214 H5 C 214 6.303 -9.889 -9.957 579 H6 C 214 H6 C 214 5.089 -10.145 -12.091 580 1H5* U 215 1H5* U 215 5.200 -13.827 -16.983 581 2H5* U 215 2H5* U 215 5.256 -15.589 -17.024 582 H4* U 215 H4* U 215 7.416 -14.605 -17.583 583 H3* U 215 H3* U 215 7.204 -16.298 -15.118 584 1H2* U 215 1H2* U 215 9.329 -15.766 -14.454 585 2HO* U 215 2HO* U 215 9.730 -15.453 -17.290 586 H1* U 215 H1* U 215 9.558 -13.365 -16.122 587 H3 U 215 H3 U 215 11.251 -11.826 -12.218 588 H5 U 215 H5 U 215 7.228 -12.574 -11.329 589 H6 U 215 H6 U 215 7.024 -13.578 -13.556 590 1H5* A 216 1H5* A 216 9.862 -17.621 -17.695 591 2H5* A 216 2H5* A 216 10.224 -19.263 -18.226 592 H4* A 216 H4* A 216 12.199 -18.593 -17.233 593 H3* A 216 H3* A 216 10.582 -20.172 -15.253 594 1H2* A 216 1H2* A 216 12.184 -19.851 -13.602 595 2HO* A 216 2HO* A 216 14.257 -19.970 -14.308 596 H1* A 216 H1* A 216 12.935 -17.241 -14.724 597 H8 A 216 H8 A 216 9.471 -17.941 -13.367 598 1H6 A 216 1H6 A 216 11.448 -15.280 -8.079 599 2H6 A 216 2H6 A 216 10.048 -15.931 -8.901 600 H2 A 216 H2 A 216 14.924 -15.680 -10.819 601 1H5* G 217 1H5* G 217 14.150 -21.684 -15.854 602 2H5* G 217 2H5* G 217 14.693 -23.355 -15.709 603 H4* G 217 H4* G 217 15.668 -22.341 -13.879 604 H3* G 217 H3* G 217 13.033 -23.470 -12.886 605 1H2* G 217 1H2* G 217 13.805 -23.027 -10.715 606 2HO* G 217 2HO* G 217 15.864 -23.726 -10.646 607 H1* G 217 H1* G 217 15.166 -20.622 -11.571 608 H8 G 217 H8 G 217 11.478 -21.253 -12.263 609 H1 G 217 H1 G 217 12.695 -17.722 -6.977 610 1H2 G 217 1H2 G 217 14.728 -17.667 -6.639 611 2H2 G 217 2H2 G 217 15.925 -18.460 -7.638 612 1H5* U 218 1H5* U 218 16.121 -25.844 -11.402 613 2H5* U 218 2H5* U 218 15.782 -27.497 -10.891 614 H4* U 218 H4* U 218 16.380 -26.198 -8.972 615 H3* U 218 H3* U 218 13.432 -26.876 -9.069 616 1H2* U 218 1H2* U 218 13.218 -25.995 -6.927 617 2HO* U 218 2HO* U 218 14.818 -26.984 -5.814 618 H1* U 218 H1* U 218 15.302 -24.027 -7.311 619 H3 U 218 H3 U 218 11.894 -21.319 -6.130 620 H5 U 218 H5 U 218 10.635 -22.913 -9.793 621 H6 U 218 H6 U 218 12.615 -24.360 -9.730 622 1H5* C 219 1H5* C 219 14.879 -28.978 -5.661 623 2H5* C 219 2H5* C 219 14.025 -30.505 -5.442 624 H4* C 219 H4* C 219 13.627 -29.234 -3.497 625 H3* C 219 H3* C 219 11.241 -29.243 -5.342 626 1H2* C 219 1H2* C 219 9.996 -28.095 -3.698 627 2HO* C 219 2HO* C 219 11.385 -27.839 -1.587 628 H1* C 219 H1* C 219 12.074 -26.297 -3.079 629 1H4 C 219 1H4 C 219 8.595 -22.916 -7.195 630 2H4 C 219 2H4 C 219 8.980 -24.037 -8.481 631 H5 C 219 H5 C 219 10.259 -25.999 -8.178 632 H6 C 219 H6 C 219 11.496 -27.383 -6.549 633 1H5* C 220 1H5* C 220 9.988 -31.272 -2.016 634 2H5* C 220 2H5* C 220 9.422 -32.931 -2.208 635 H4* C 220 H4* C 220 7.617 -32.015 -1.166 636 H3* C 220 H3* C 220 7.167 -31.775 -4.113 637 1H2* C 220 1H2* C 220 5.151 -30.588 -3.790 638 2HO* C 220 2HO* C 220 4.290 -30.570 -1.604 639 H1* C 220 H1* C 220 6.203 -28.863 -1.850 640 1H4 C 220 1H4 C 220 6.965 -25.430 -7.150 641 2H4 C 220 2H4 C 220 8.103 -26.600 -7.778 642 H5 C 220 H5 C 220 8.668 -28.609 -6.674 643 H6 C 220 H6 C 220 8.276 -30.005 -4.675 No H/Q in entry = 643 Start of MODEL 25 1 H MET 1 HN MET 1 -0.244 -8.993 4.734 2 HA MET 1 HA MET 1 -0.167 -11.210 2.848 3 1HB MET 1 2HB MET 1 -0.756 -8.402 2.617 4 2HB MET 1 3HB MET 1 0.766 -8.649 1.783 5 1HG MET 1 2HG MET 1 -0.337 -9.554 0.017 6 2HG MET 1 3HG MET 1 -0.955 -10.832 1.044 7 1HE MET 1 2HE MET 1 -1.035 -7.279 0.234 8 2HE MET 1 3HE MET 1 -2.478 -7.313 -0.806 9 3HE MET 1 1HE MET 1 -2.588 -6.661 0.847 10 H GLN 2 HN GLN 2 1.820 -11.868 1.884 11 HA GLN 2 HA GLN 2 4.067 -11.376 3.541 12 1HB GLN 2 2HB GLN 2 3.646 -13.019 1.015 13 2HB GLN 2 3HB GLN 2 5.207 -12.905 1.803 14 1HG GLN 2 2HG GLN 2 3.804 -13.555 3.986 15 2HG GLN 2 3HG GLN 2 2.660 -14.181 2.814 16 1HE2 GLN 2 2HE2 GLN 2 6.013 -16.203 3.792 17 2HE2 GLN 2 1HE2 GLN 2 5.440 -14.770 4.580 18 H LYS 3 HN LYS 3 3.608 -11.075 -0.062 19 HA LYS 3 HA LYS 3 4.238 -9.478 -1.470 20 1HB LYS 3 2HB LYS 3 3.792 -7.998 0.751 21 2HB LYS 3 3HB LYS 3 5.504 -7.692 0.540 22 1HG LYS 3 2HG LYS 3 5.163 -6.409 -1.317 23 2HG LYS 3 3HG LYS 3 4.051 -7.566 -2.020 24 1HD LYS 3 2HD LYS 3 2.413 -6.663 -0.096 25 2HD LYS 3 3HD LYS 3 3.469 -5.266 -0.150 26 1HE LYS 3 2HE LYS 3 1.760 -4.755 -1.726 27 2HE LYS 3 3HE LYS 3 3.107 -5.277 -2.720 28 1HZ LYS 3 1HZ LYS 3 0.647 -6.765 -2.083 29 2HZ LYS 3 2HZ LYS 3 1.340 -6.529 -3.537 30 H GLY 4 HN GLY 4 5.681 -11.534 -1.735 31 1HA GLY 4 1HA GLY 4 8.316 -11.595 -0.838 32 2HA GLY 4 2HA GLY 4 7.694 -12.368 -2.282 33 H ASN 5 HN ASN 5 6.749 -9.733 -3.450 34 HA ASN 5 HA ASN 5 8.973 -9.205 -4.962 35 1HB ASN 5 2HB ASN 5 6.330 -8.516 -5.098 36 2HB ASN 5 3HB ASN 5 6.979 -6.986 -4.543 37 1HD2 ASN 5 2HD2 ASN 5 8.249 -5.991 -7.597 38 2HD2 ASN 5 1HD2 ASN 5 7.813 -5.638 -5.959 39 H PHE 6 HN PHE 6 8.112 -8.233 -1.735 40 HA PHE 6 HA PHE 6 9.231 -5.693 -1.594 41 1HB PHE 6 2HB PHE 6 7.796 -6.734 0.150 42 2HB PHE 6 3HB PHE 6 8.942 -8.043 0.367 43 HD1 PHE 6 HD2 PHE 6 8.323 -4.473 1.001 44 HD2 PHE 6 HD1 PHE 6 10.881 -7.774 1.750 45 HE1 PHE 6 HE2 PHE 6 9.445 -3.187 2.841 46 HE2 PHE 6 HE1 PHE 6 12.002 -6.489 3.591 47 HZ PHE 6 HZ PHE 6 11.271 -4.210 4.115 48 H ARG 7 HN ARG 7 10.729 -8.771 -2.109 49 HA ARG 7 HA ARG 7 13.068 -8.452 -0.714 50 1HB ARG 7 2HB ARG 7 12.397 -9.889 -3.316 51 2HB ARG 7 3HB ARG 7 14.012 -9.958 -2.639 52 1HG ARG 7 2HG ARG 7 13.180 -10.964 -0.570 53 2HG ARG 7 3HG ARG 7 11.515 -10.709 -1.053 54 1HD ARG 7 2HD ARG 7 13.264 -12.305 -2.919 55 2HD ARG 7 3HD ARG 7 12.767 -13.076 -1.424 56 HE ARG 7 HE ARG 7 10.489 -12.999 -2.135 57 1HH1 ARG 7 2HH2 ARG 7 12.624 -11.422 -4.482 58 2HH1 ARG 7 1HH2 ARG 7 11.432 -11.399 -5.738 59 HH2 ARG 7 HH1 ARG 7 9.258 -12.313 -5.310 60 H ASN 8 HN ASN 8 11.808 -6.631 -3.352 61 HA ASN 8 HA ASN 8 14.003 -6.087 -4.864 62 1HB ASN 8 2HB ASN 8 12.844 -3.859 -5.316 63 2HB ASN 8 3HB ASN 8 11.803 -5.255 -5.509 64 1HD2 ASN 8 1HD2 ASN 8 11.387 -2.359 -4.772 65 2HD2 ASN 8 2HD2 ASN 8 10.405 -2.376 -3.346 66 H GLN 9 HN GLN 9 13.307 -5.313 -1.535 67 HA GLN 9 HA GLN 9 14.637 -2.903 -1.281 68 1HB GLN 9 2HB GLN 9 14.241 -5.157 0.735 69 2HB GLN 9 3HB GLN 9 14.804 -3.552 1.157 70 1HG GLN 9 2HG GLN 9 12.386 -3.399 -0.494 71 2HG GLN 9 3HG GLN 9 12.111 -4.407 0.914 72 1HE2 GLN 9 2HE2 GLN 9 11.202 -1.151 2.144 73 2HE2 GLN 9 1HE2 GLN 9 10.620 -2.468 1.181 74 H ARG 10 HN ARG 10 15.844 -5.975 -2.152 75 HA ARG 10 HA ARG 10 18.269 -5.933 -0.786 76 1HB ARG 10 2HB ARG 10 18.956 -7.675 -2.396 77 2HB ARG 10 3HB ARG 10 17.303 -7.961 -1.891 78 1HG ARG 10 2HG ARG 10 16.398 -7.252 -3.956 79 2HG ARG 10 3HG ARG 10 17.800 -6.281 -4.357 80 1HD ARG 10 2HD ARG 10 17.778 -9.337 -4.248 81 2HD ARG 10 3HD ARG 10 17.656 -8.392 -5.719 82 HE ARG 10 HE ARG 10 20.073 -8.804 -4.093 83 1HH1 ARG 10 2HH2 ARG 10 18.548 -6.835 -6.613 84 2HH1 ARG 10 1HH2 ARG 10 20.053 -6.259 -7.248 85 HH2 ARG 10 HH1 ARG 10 22.105 -6.983 -6.243 86 H LYS 11 HN LYS 11 17.038 -3.851 -3.159 87 HA LYS 11 HA LYS 11 19.758 -3.097 -3.962 88 1HB LYS 11 2HB LYS 11 18.623 -4.219 -5.831 89 2HB LYS 11 3HB LYS 11 17.279 -3.102 -5.710 90 1HG LYS 11 2HG LYS 11 18.586 -1.246 -6.435 91 2HG LYS 11 3HG LYS 11 20.102 -2.041 -6.055 92 1HD LYS 11 2HD LYS 11 20.151 -2.453 -8.315 93 2HD LYS 11 3HD LYS 11 19.133 -3.814 -7.888 94 1HE LYS 11 2HE LYS 11 17.387 -2.950 -9.056 95 2HE LYS 11 3HE LYS 11 17.469 -1.447 -8.158 96 1HZ LYS 11 1HZ LYS 11 19.228 -2.073 -10.469 97 2HZ LYS 11 2HZ LYS 11 17.884 -1.160 -10.570 98 H THR 12 HN THR 12 18.438 -2.175 -1.621 99 HA THR 12 HA THR 12 17.468 -0.354 -0.680 100 HB THR 12 HB THR 12 20.027 -0.013 -1.167 101 HG1 THR 12 HG1 THR 12 19.295 1.415 0.371 102 1HG2 THR 12 2HG2 THR 12 18.956 1.127 -3.555 103 2HG2 THR 12 3HG2 THR 12 19.427 2.503 -2.528 104 3HG2 THR 12 1HG2 THR 12 20.630 1.266 -2.964 105 H VAL 13 HN VAL 13 15.695 -1.121 -2.582 106 HA VAL 13 HA VAL 13 15.059 0.389 -4.676 107 HB VAL 13 HB VAL 13 12.652 0.079 -3.948 108 1HG1 VAL 13 3HG1 VAL 13 14.707 -1.951 -4.491 109 2HG1 VAL 13 1HG1 VAL 13 13.248 -2.602 -3.707 110 3HG1 VAL 13 2HG1 VAL 13 13.110 -1.703 -5.237 111 1HG2 VAL 13 3HG2 VAL 13 14.058 -1.038 -1.514 112 2HG2 VAL 13 1HG2 VAL 13 12.738 0.154 -1.591 113 3HG2 VAL 13 2HG2 VAL 13 12.420 -1.553 -1.985 114 H LYS 14 HN LYS 14 13.728 2.314 -5.060 115 HA LYS 14 HA LYS 14 14.148 4.281 -2.924 116 1HB LYS 14 2HB LYS 14 14.503 5.913 -4.539 117 2HB LYS 14 3HB LYS 14 15.311 4.512 -5.211 118 1HG LYS 14 2HG LYS 14 12.770 4.159 -6.220 119 2HG LYS 14 3HG LYS 14 12.845 5.909 -6.146 120 1HD LYS 14 2HD LYS 14 15.273 4.559 -7.264 121 2HD LYS 14 3HD LYS 14 13.822 4.430 -8.238 122 1HE LYS 14 2HE LYS 14 13.633 6.787 -8.509 123 2HE LYS 14 3HE LYS 14 14.638 7.128 -7.115 124 1HZ LYS 14 1HZ LYS 14 16.198 7.408 -8.737 125 2HZ LYS 14 2HZ LYS 14 16.373 5.792 -8.637 126 H CYS 15 HN CYS 15 12.425 5.450 -2.117 127 HA CYS 15 HA CYS 15 9.860 4.336 -2.608 128 1HB CYS 15 2HB CYS 15 10.541 5.094 -0.368 129 2HB CYS 15 3HB CYS 15 10.677 6.742 -0.946 130 H PHE 16 HN PHE 16 8.777 4.824 -4.492 131 HA PHE 16 HA PHE 16 9.372 7.182 -5.956 132 1HB PHE 16 2HB PHE 16 7.315 4.913 -6.032 133 2HB PHE 16 3HB PHE 16 7.202 6.232 -7.180 134 HD1 PHE 16 HD1 PHE 16 10.004 6.731 -7.869 135 HD2 PHE 16 HD2 PHE 16 7.977 3.056 -7.246 136 HE1 PHE 16 HE1 PHE 16 11.651 5.569 -9.366 137 HE2 PHE 16 HE2 PHE 16 9.624 1.894 -8.742 138 HZ PHE 16 HZ PHE 16 11.441 3.165 -9.785 139 H ASN 17 HN ASN 17 7.812 6.933 -3.080 140 HA ASN 17 HA ASN 17 5.573 8.595 -3.815 141 1HB ASN 17 2HB ASN 17 5.613 6.615 -2.042 142 2HB ASN 17 3HB ASN 17 6.321 7.809 -0.973 143 1HD2 ASN 17 2HD2 ASN 17 3.081 8.608 0.024 144 2HD2 ASN 17 1HD2 ASN 17 4.619 7.911 0.412 145 H CYS 18 HN CYS 18 8.151 8.564 -1.224 146 HA CYS 18 HA CYS 18 7.997 11.445 -1.083 147 1HB CYS 18 2HB CYS 18 9.510 11.202 0.855 148 2HB CYS 18 3HB CYS 18 8.051 10.244 1.021 149 H GLY 19 HN GLY 19 10.265 8.769 -1.947 150 1HA GLY 19 1HA GLY 19 11.710 9.045 -3.824 151 2HA GLY 19 2HA GLY 19 11.890 10.741 -3.423 152 H LYS 20 HN LYS 20 11.873 8.222 -0.898 153 HA LYS 20 HA LYS 20 14.728 8.775 -0.493 154 1HB LYS 20 2HB LYS 20 12.439 8.367 1.412 155 2HB LYS 20 3HB LYS 20 14.063 7.935 1.909 156 1HG LYS 20 2HG LYS 20 14.310 10.479 0.652 157 2HG LYS 20 3HG LYS 20 12.868 10.588 1.640 158 1HD LYS 20 2HD LYS 20 15.277 9.294 2.892 159 2HD LYS 20 3HD LYS 20 15.354 11.025 2.633 160 1HE LYS 20 2HE LYS 20 14.362 10.991 4.739 161 2HE LYS 20 3HE LYS 20 12.923 10.998 3.739 162 1HZ LYS 20 1HZ LYS 20 12.458 9.161 4.983 163 2HZ LYS 20 2HZ LYS 20 13.382 8.375 3.897 164 H GLU 21 HN GLU 21 16.169 7.066 -0.314 165 HA GLU 21 HA GLU 21 15.135 4.581 -1.293 166 1HB GLU 21 2HB GLU 21 17.821 5.856 -0.983 167 2HB GLU 21 3HB GLU 21 17.796 4.106 -0.887 168 1HG GLU 21 2HG GLU 21 17.419 3.891 -3.122 169 2HG GLU 21 3HG GLU 21 16.105 5.049 -3.090 170 HE2 GLU 21 HE2 GLU 21 19.266 5.102 -4.622 171 H GLY 22 HN GLY 22 15.043 2.611 -0.166 172 1HA GLY 22 1HA GLY 22 15.995 1.383 1.771 173 2HA GLY 22 2HA GLY 22 15.625 2.803 2.730 174 H HIS 23 HN HIS 23 13.202 2.725 0.438 175 HA HIS 23 HA HIS 23 11.604 0.613 1.353 176 1HB HIS 23 2HB HIS 23 10.088 1.622 2.812 177 2HB HIS 23 3HB HIS 23 11.660 2.134 3.394 178 HD1 HIS 23 HD1 HIS 23 12.294 4.660 3.130 179 HD2 HIS 23 HD2 HIS 23 8.451 3.680 1.763 180 HE1 HIS 23 HE1 HIS 23 11.067 6.873 2.797 181 H ILE 24 HN ILE 24 9.415 0.690 0.335 182 HA ILE 24 HA ILE 24 9.494 2.459 -2.006 183 HB ILE 24 HB ILE 24 8.361 0.781 -3.230 184 1HG1 ILE 24 2HG1 ILE 24 8.178 -0.897 -0.712 185 2HG1 ILE 24 3HG1 ILE 24 6.859 0.064 -1.349 186 1HG2 ILE 24 3HG2 ILE 24 10.922 0.493 -2.293 187 2HG2 ILE 24 1HG2 ILE 24 10.202 -1.090 -1.915 188 3HG2 ILE 24 2HG2 ILE 24 10.175 -0.477 -3.585 189 1HD1 ILE 24 1HD1 ILE 24 8.311 -2.021 -3.031 190 2HD1 ILE 24 2HD1 ILE 24 6.875 -2.400 -2.048 191 3HD1 ILE 24 3HD1 ILE 24 6.756 -1.227 -3.383 192 H ALA 25 HN ALA 25 7.311 3.137 -2.845 193 HA ALA 25 HA ALA 25 5.916 4.530 -0.959 194 1HB ALA 25 1HB ALA 25 5.015 3.415 -3.643 195 2HB ALA 25 2HB ALA 25 4.141 4.666 -2.728 196 3HB ALA 25 3HB ALA 25 5.780 4.993 -3.342 197 H LYS 26 HN LYS 26 5.491 1.148 -2.064 198 HA LYS 26 HA LYS 26 3.002 0.701 -0.903 199 1HB LYS 26 2HB LYS 26 5.251 -1.289 -1.321 200 2HB LYS 26 3HB LYS 26 3.549 -1.659 -1.128 201 1HG LYS 26 2HG LYS 26 4.231 0.306 -3.288 202 2HG LYS 26 3HG LYS 26 4.750 -1.346 -3.560 203 1HD LYS 26 2HD LYS 26 2.021 -1.329 -2.526 204 2HD LYS 26 3HD LYS 26 2.132 -0.267 -3.917 205 1HE LYS 26 2HE LYS 26 3.015 -2.048 -5.319 206 2HE LYS 26 3HE LYS 26 3.260 -3.102 -3.940 207 1HZ LYS 26 1HZ LYS 26 0.759 -2.950 -3.618 208 2HZ LYS 26 2HZ LYS 26 0.663 -2.252 -5.086 209 H ASN 27 HN ASN 27 6.352 0.424 0.413 210 HA ASN 27 HA ASN 27 5.194 -0.228 2.979 211 1HB ASN 27 2HB ASN 27 8.060 -0.154 1.915 212 2HB ASN 27 3HB ASN 27 7.712 -0.406 3.614 213 1HD2 ASN 27 2HD2 ASN 27 6.578 -3.242 0.800 214 2HD2 ASN 27 1HD2 ASN 27 6.701 -1.561 0.401 215 H CYS 28 HN CYS 28 5.346 2.515 1.359 216 HA CYS 28 HA CYS 28 6.963 4.120 3.107 217 1HB CYS 28 2HB CYS 28 6.857 4.657 0.719 218 2HB CYS 28 3HB CYS 28 5.122 4.889 0.817 219 H ARG 29 HN ARG 29 6.196 5.285 4.876 220 HA ARG 29 HA ARG 29 3.675 4.601 5.855 221 1HB ARG 29 2HB ARG 29 5.876 5.378 7.096 222 2HB ARG 29 3HB ARG 29 5.272 7.001 6.826 223 1HG ARG 29 2HG ARG 29 3.315 5.027 7.959 224 2HG ARG 29 3HG ARG 29 4.624 5.516 9.017 225 1HD ARG 29 2HD ARG 29 4.038 7.910 8.680 226 2HD ARG 29 3HD ARG 29 2.775 7.462 7.550 227 HE ARG 29 HE ARG 29 2.665 7.246 10.472 228 1HH1 ARG 29 2HH2 ARG 29 1.279 6.072 7.429 229 2HH1 ARG 29 1HH2 ARG 29 -0.214 5.578 8.155 230 HH2 ARG 29 HH1 ARG 29 -0.535 5.895 10.510 231 H ALA 30 HN ALA 30 4.991 7.354 4.005 232 HA ALA 30 HA ALA 30 2.949 9.192 4.477 233 1HB ALA 30 2HB ALA 30 5.290 8.904 2.831 234 2HB ALA 30 3HB ALA 30 3.947 9.483 1.816 235 3HB ALA 30 1HB ALA 30 4.416 10.390 3.274 236 HA PRO 31 HA PRO 31 -0.325 7.672 2.096 237 1HB PRO 31 2HB PRO 31 -1.613 9.957 1.330 238 2HB PRO 31 3HB PRO 31 -1.779 9.252 2.925 239 1HG PRO 31 2HG PRO 31 -0.246 11.642 2.106 240 2HG PRO 31 3HG PRO 31 -0.770 11.172 3.710 241 1HD PRO 31 2HD PRO 31 1.878 10.938 2.633 242 2HD PRO 31 3HD PRO 31 1.327 10.363 4.194 243 H ARG 32 HN ARG 32 -1.129 7.102 0.051 244 HA ARG 32 HA ARG 32 0.794 7.176 -1.881 245 1HB ARG 32 2HB ARG 32 -2.189 7.012 -2.497 246 2HB ARG 32 3HB ARG 32 -0.878 6.223 -3.352 247 1HG ARG 32 2HG ARG 32 -1.886 5.593 -0.543 248 2HG ARG 32 3HG ARG 32 -1.968 4.556 -1.954 249 1HD ARG 32 2HD ARG 32 0.726 5.529 -0.946 250 2HD ARG 32 3HD ARG 32 -0.056 4.165 -0.174 251 HE ARG 32 HE ARG 32 1.288 4.116 -2.707 252 1HH1 ARG 32 2HH2 ARG 32 -1.610 2.812 -1.141 253 2HH1 ARG 32 1HH2 ARG 32 -1.679 1.410 -2.156 254 HH2 ARG 32 HH1 ARG 32 -0.017 1.109 -3.857 255 H LYS 33 HN LYS 33 1.611 8.989 -2.890 256 HA LYS 33 HA LYS 33 -0.317 10.850 -4.031 257 1HB LYS 33 2HB LYS 33 0.768 11.518 -1.660 258 2HB LYS 33 3HB LYS 33 2.053 12.081 -2.710 259 1HG LYS 33 2HG LYS 33 0.819 13.853 -3.424 260 2HG LYS 33 3HG LYS 33 -0.560 12.837 -3.796 261 1HD LYS 33 2HD LYS 33 -0.992 12.783 -1.225 262 2HD LYS 33 3HD LYS 33 0.152 14.106 -1.122 263 1HE LYS 33 2HE LYS 33 -1.261 15.351 -2.857 264 2HE LYS 33 3HE LYS 33 -2.452 14.074 -2.716 265 1HZ LYS 33 1HZ LYS 33 -2.941 14.690 -0.535 266 2HZ LYS 33 2HZ LYS 33 -1.516 15.433 -0.274 267 H LYS 34 HN LYS 34 1.312 12.625 -5.270 268 HA LYS 34 HA LYS 34 3.425 11.096 -6.558 269 1HB LYS 34 2HB LYS 34 0.833 11.477 -7.724 270 2HB LYS 34 3HB LYS 34 1.992 12.425 -8.633 271 1HG LYS 34 2HG LYS 34 3.243 10.552 -9.279 272 2HG LYS 34 3HG LYS 34 2.787 9.620 -7.866 273 1HD LYS 34 2HD LYS 34 0.486 10.334 -9.601 274 2HD LYS 34 3HD LYS 34 1.682 9.340 -10.408 275 1HE LYS 34 2HE LYS 34 1.594 7.851 -8.242 276 2HE LYS 34 3HE LYS 34 0.103 8.703 -7.890 277 1HZ LYS 34 1HZ LYS 34 -0.392 6.726 -9.160 278 2HZ LYS 34 2HZ LYS 34 -0.702 8.003 -10.123 279 H GLY 35 HN GLY 35 3.951 12.977 -4.699 280 1HA GLY 35 1HA GLY 35 4.149 15.593 -5.947 281 2HA GLY 35 2HA GLY 35 4.618 15.140 -4.321 282 H CYS 36 HN CYS 36 5.828 16.146 -7.255 283 HA CYS 36 HA CYS 36 7.979 14.487 -7.737 284 1HB CYS 36 2HB CYS 36 7.341 16.137 -9.359 285 2HB CYS 36 3HB CYS 36 7.598 17.454 -8.230 286 H TRP 37 HN TRP 37 9.745 14.016 -6.472 287 HA TRP 37 HA TRP 37 10.191 15.596 -4.099 288 1HB TRP 37 2HB TRP 37 12.136 13.512 -4.613 289 2HB TRP 37 3HB TRP 37 11.053 13.739 -3.254 290 HD1 TRP 37 HD1 TRP 37 8.393 12.780 -3.764 291 HE1 TRP 37 HE1 TRP 37 7.573 10.599 -5.005 292 HE3 TRP 37 HE3 TRP 37 12.701 11.999 -6.350 293 HZ2 TRP 37 HZ2 TRP 37 8.792 8.832 -6.885 294 HZ3 TRP 37 HZ3 TRP 37 12.803 10.023 -7.866 295 HH2 TRP 37 HH2 TRP 37 10.940 8.469 -8.156 296 H LYS 38 HN LYS 38 10.550 16.967 -6.648 297 HA LYS 38 HA LYS 38 13.420 17.506 -6.421 298 1HB LYS 38 2HB LYS 38 12.323 16.188 -8.578 299 2HB LYS 38 3HB LYS 38 12.302 17.853 -9.120 300 1HG LYS 38 2HG LYS 38 14.825 17.387 -7.794 301 2HG LYS 38 3HG LYS 38 14.559 16.070 -8.919 302 1HD LYS 38 2HD LYS 38 14.281 17.603 -10.786 303 2HD LYS 38 3HD LYS 38 14.204 18.991 -9.719 304 1HE LYS 38 2HE LYS 38 16.666 17.537 -9.194 305 2HE LYS 38 3HE LYS 38 16.533 17.827 -10.917 306 1HZ LYS 38 1HZ LYS 38 15.917 20.223 -10.160 307 2HZ LYS 38 2HZ LYS 38 16.624 19.819 -8.750 308 H CYS 39 HN CYS 39 10.186 18.631 -7.600 309 HA CYS 39 HA CYS 39 11.095 21.349 -7.005 310 1HB CYS 39 2HB CYS 39 9.183 22.056 -8.489 311 2HB CYS 39 3HB CYS 39 10.494 21.228 -9.303 312 H GLY 40 HN GLY 40 8.715 18.760 -6.428 313 1HA GLY 40 1HA GLY 40 7.563 18.524 -4.420 314 2HA GLY 40 2HA GLY 40 7.720 20.241 -4.105 315 H LYS 41 HN LYS 41 6.816 19.270 -7.369 316 HA LYS 41 HA LYS 41 4.193 20.441 -6.910 317 1HB LYS 41 2HB LYS 41 6.068 20.700 -8.941 318 2HB LYS 41 3HB LYS 41 4.866 19.638 -9.646 319 1HG LYS 41 2HG LYS 41 3.116 21.353 -8.668 320 2HG LYS 41 3HG LYS 41 4.485 22.440 -8.542 321 1HD LYS 41 2HD LYS 41 4.280 21.045 -11.164 322 2HD LYS 41 3HD LYS 41 2.930 22.105 -10.813 323 1HE LYS 41 2HE LYS 41 5.105 23.663 -10.032 324 2HE LYS 41 3HE LYS 41 5.759 22.788 -11.402 325 1HZ LYS 41 1HZ LYS 41 4.715 24.470 -12.516 326 2HZ LYS 41 2HZ LYS 41 3.406 23.510 -12.404 327 H GLU 42 HN GLU 42 2.441 19.201 -6.538 328 HA GLU 42 HA GLU 42 2.721 16.379 -6.831 329 1HB GLU 42 2HB GLU 42 0.428 16.330 -5.819 330 2HB GLU 42 3HB GLU 42 1.581 17.237 -4.861 331 1HG GLU 42 2HG GLU 42 0.349 19.134 -5.050 332 2HG GLU 42 3HG GLU 42 0.342 19.018 -6.799 333 HE1 GLU 42 HE2 GLU 42 -2.472 16.866 -6.767 334 H GLY 43 HN GLY 43 2.365 15.344 -8.742 335 1HA GLY 43 1HA GLY 43 0.187 15.079 -10.182 336 2HA GLY 43 2HA GLY 43 0.697 16.654 -10.759 337 H HIS 44 HN HIS 44 3.436 16.544 -10.930 338 HA HIS 44 HA HIS 44 3.768 14.477 -12.955 339 1HB HIS 44 2HB HIS 44 5.418 15.851 -13.934 340 2HB HIS 44 3HB HIS 44 4.084 16.906 -13.516 341 HD1 HIS 44 HD1 HIS 44 4.550 18.834 -11.911 342 HD2 HIS 44 HD2 HIS 44 7.734 16.117 -12.195 343 HE1 HIS 44 HE1 HIS 44 6.514 19.904 -10.684 344 H GLN 45 HN GLN 45 6.377 13.951 -13.112 345 HA GLN 45 HA GLN 45 7.170 13.278 -10.390 346 1HB GLN 45 2HB GLN 45 7.874 11.060 -11.113 347 2HB GLN 45 3HB GLN 45 6.193 11.286 -11.550 348 1HG GLN 45 2HG GLN 45 7.648 12.273 -13.773 349 2HG GLN 45 3HG GLN 45 8.512 10.829 -13.286 350 1HE2 GLN 45 2HE2 GLN 45 6.154 8.537 -14.394 351 2HE2 GLN 45 1HE2 GLN 45 7.679 8.864 -13.640 352 H MET 46 HN MET 46 9.582 12.759 -10.229 353 HA MET 46 HA MET 46 11.045 14.836 -11.190 354 1HB MET 46 2HB MET 46 11.912 13.569 -9.343 355 2HB MET 46 3HB MET 46 11.729 12.043 -10.186 356 1HG MET 46 2HG MET 46 14.126 12.769 -10.042 357 2HG MET 46 3HG MET 46 13.589 12.583 -11.699 358 1HE MET 46 2HE MET 46 15.342 13.633 -12.534 359 2HE MET 46 3HE MET 46 15.324 15.360 -12.962 360 3HE MET 46 1HE MET 46 16.229 14.807 -11.533 361 H LYS 47 HN LYS 47 10.710 11.499 -12.544 362 HA LYS 47 HA LYS 47 12.610 11.710 -14.535 363 1HB LYS 47 2HB LYS 47 10.605 9.882 -13.719 364 2HB LYS 47 3HB LYS 47 10.337 10.174 -15.425 365 1HG LYS 47 2HG LYS 47 11.922 8.337 -15.212 366 2HG LYS 47 3HG LYS 47 12.776 9.721 -15.864 367 1HD LYS 47 2HD LYS 47 14.160 8.737 -14.118 368 2HD LYS 47 3HD LYS 47 13.577 10.285 -13.539 369 1HE LYS 47 2HE LYS 47 11.758 9.139 -12.270 370 2HE LYS 47 3HE LYS 47 12.305 7.587 -12.869 371 1HZ LYS 47 1HZ LYS 47 13.208 8.774 -10.599 372 2HZ LYS 47 2HZ LYS 47 13.978 7.564 -11.370 373 H ASP 48 HN ASP 48 9.348 13.087 -14.269 374 HA ASP 48 HA ASP 48 9.773 14.217 -16.924 375 1HB ASP 48 2HB ASP 48 7.321 13.145 -15.545 376 2HB ASP 48 3HB ASP 48 7.101 14.536 -16.587 377 HD2 ASP 48 HD2 ASP 48 6.184 11.976 -16.770 378 H CYS 49 HN CYS 49 10.840 15.308 -14.451 379 HA CYS 49 HA CYS 49 9.266 17.046 -13.078 380 1HB CYS 49 2HB CYS 49 11.663 16.502 -12.599 381 2HB CYS 49 3HB CYS 49 12.140 17.563 -13.910 382 H THR 50 HN THR 50 7.873 18.575 -13.891 383 HA THR 50 HA THR 50 8.300 19.666 -16.515 384 HB THR 50 HB THR 50 6.111 20.816 -15.942 385 HG1 THR 50 HG1 THR 50 6.669 20.942 -13.615 386 1HG2 THR 50 3HG2 THR 50 6.451 17.830 -15.460 387 2HG2 THR 50 1HG2 THR 50 4.860 18.598 -15.244 388 3HG2 THR 50 2HG2 THR 50 5.665 18.649 -16.831 389 H GLU 51 HN GLU 51 9.844 20.272 -13.674 390 HA GLU 51 HA GLU 51 10.787 22.730 -14.617 391 1HB GLU 51 2HB GLU 51 8.458 22.874 -12.916 392 2HB GLU 51 3HB GLU 51 9.825 23.519 -12.028 393 1HG GLU 51 2HG GLU 51 9.058 24.371 -14.861 394 2HG GLU 51 3HG GLU 51 8.611 25.249 -13.412 395 HE2 GLU 51 HE2 GLU 51 10.034 26.449 -15.202 396 H ARG 52 HN ARG 52 12.784 21.598 -14.372 397 HA ARG 52 HA ARG 52 13.436 20.405 -11.914 398 1HB ARG 52 2HB ARG 52 15.706 20.153 -12.928 399 2HB ARG 52 3HB ARG 52 14.449 19.650 -14.041 400 1HG ARG 52 2HG ARG 52 14.575 22.207 -14.834 401 2HG ARG 52 3HG ARG 52 16.173 22.131 -14.121 402 1HD ARG 52 2HD ARG 52 16.982 20.668 -15.729 403 2HD ARG 52 3HD ARG 52 15.452 19.829 -15.895 404 HE ARG 52 HE ARG 52 15.101 22.480 -16.890 405 1HH1 ARG 52 2HH2 ARG 52 16.853 19.517 -17.733 406 2HH1 ARG 52 1HH2 ARG 52 16.858 19.856 -19.431 407 HH2 ARG 52 HH1 ARG 52 15.828 21.866 -20.231 408 H GLN 53 HN GLN 53 13.708 21.664 -10.083 409 HA GLN 53 HA GLN 53 15.829 23.346 -9.813 410 1HB GLN 53 2HB GLN 53 13.926 24.684 -11.318 411 2HB GLN 53 3HB GLN 53 13.538 25.227 -9.697 412 1HG GLN 53 2HG GLN 53 16.264 25.457 -9.613 413 2HG GLN 53 3HG GLN 53 16.003 25.719 -11.326 414 1HE2 GLN 53 2HE2 GLN 53 15.817 28.909 -9.268 415 2HE2 GLN 53 1HE2 GLN 53 16.914 27.568 -9.296 416 H ALA 54 HN ALA 54 15.833 24.450 -7.634 417 HA ALA 54 HA ALA 54 15.380 24.510 -5.468 418 1HB ALA 54 2HB ALA 54 13.027 25.091 -6.486 419 2HB ALA 54 3HB ALA 54 12.585 23.463 -5.918 420 3HB ALA 54 1HB ALA 54 13.160 24.685 -4.758 421 H ASN 55 HN ASN 55 14.524 22.973 -3.556 422 HA ASN 55 HA ASN 55 15.110 20.247 -4.401 423 1HB ASN 55 2HB ASN 55 16.728 21.877 -2.754 424 2HB ASN 55 3HB ASN 55 15.862 20.872 -1.610 425 1HD2 ASN 55 2HD2 ASN 55 17.664 17.979 -2.194 426 2HD2 ASN 55 1HD2 ASN 55 16.495 18.862 -1.271 427 1H5* G 201 1H5* G 201 -0.685 -18.074 -6.556 428 2H5* G 201 2H5* G 201 0.239 -16.931 -5.582 429 H4* G 201 H4* G 201 -0.516 -18.852 -4.272 430 H3* G 201 H3* G 201 2.468 -18.534 -4.632 431 1H2* G 201 1H2* G 201 2.795 -20.274 -3.091 432 2HO* G 201 2HO* G 201 1.396 -19.878 -1.467 433 H1* G 201 H1* G 201 0.721 -21.900 -4.035 434 H8 G 201 H8 G 201 3.082 -19.894 -6.297 435 H1 G 201 H1 G 201 4.408 -26.208 -5.781 436 1H2 G 201 1H2 G 201 3.102 -27.079 -4.444 437 2H2 G 201 2H2 G 201 1.836 -26.226 -3.590 438 1H5* G 202 1H5* G 202 2.415 -17.593 -0.444 439 2H5* G 202 2H5* G 202 3.627 -16.337 -0.188 440 H4* G 202 H4* G 202 4.192 -18.454 0.928 441 H3* G 202 H3* G 202 6.036 -17.384 -1.193 442 1H2* G 202 1H2* G 202 7.542 -19.147 -0.807 443 2HO* G 202 2HO* G 202 7.169 -18.832 1.515 444 H1* G 202 H1* G 202 5.530 -21.120 -0.568 445 H8 G 202 H8 G 202 5.484 -18.441 -3.295 446 H1 G 202 H1 G 202 7.859 -24.184 -5.100 447 1H2 G 202 1H2 G 202 7.953 -25.436 -3.465 448 2H2 G 202 2H2 G 202 7.460 -24.995 -1.845 449 1H5* A 203 1H5* A 203 8.869 -18.188 2.345 450 2H5* A 203 2H5* A 203 9.525 -16.556 2.463 451 H4* A 203 H4* A 203 11.346 -18.092 2.433 452 H3* A 203 H3* A 203 11.024 -16.335 0.068 453 1H2* A 203 1H2* A 203 12.617 -17.444 -1.230 454 2HO* A 203 2HO* A 203 13.281 -18.815 1.215 455 H1* A 203 H1* A 203 11.902 -20.054 -0.333 456 H8 A 203 H8 A 203 9.306 -17.504 -1.483 457 1H6 A 203 1H6 A 203 9.431 -20.530 -6.939 458 2H6 A 203 2H6 A 203 8.641 -19.250 -6.046 459 H2 A 203 H2 A 203 12.538 -22.296 -4.299 460 1H5* C 204 1H5* C 204 15.208 -16.551 0.911 461 2H5* C 204 2H5* C 204 16.038 -15.050 0.502 462 H4* C 204 H4* C 204 16.932 -16.841 -0.823 463 H3* C 204 H3* C 204 15.288 -14.830 -2.355 464 1H2* C 204 1H2* C 204 15.857 -15.910 -4.360 465 2HO* C 204 2HO* C 204 17.618 -17.690 -3.923 466 H1* C 204 H1* C 204 15.655 -18.526 -3.248 467 1H4 C 204 1H4 C 204 10.225 -17.976 -6.526 468 2H4 C 204 2H4 C 204 9.665 -16.734 -5.429 469 H5 C 204 H5 C 204 10.959 -15.864 -3.655 470 H6 C 204 H6 C 204 13.131 -15.974 -2.485 471 1H5* U 205 1H5* U 205 19.384 -14.711 -2.949 472 2H5* U 205 2H5* U 205 20.407 -13.360 -3.439 473 H4* U 205 H4* U 205 20.543 -14.897 -5.195 474 H3* U 205 H3* U 205 18.659 -12.647 -5.855 475 1H2* U 205 1H2* U 205 18.256 -13.560 -7.971 476 2HO* U 205 2HO* U 205 20.437 -15.344 -7.384 477 H1* U 205 H1* U 205 18.265 -16.263 -7.071 478 H3 U 205 H3 U 205 13.979 -16.055 -8.393 479 H5 U 205 H5 U 205 14.136 -13.242 -5.295 480 H6 U 205 H6 U 205 16.553 -13.643 -5.187 481 1H5* A 206 1H5* A 206 20.762 -12.616 -8.627 482 2H5* A 206 2H5* A 206 21.724 -11.330 -9.357 483 H4* A 206 H4* A 206 20.123 -11.794 -10.969 484 H3* A 206 H3* A 206 18.991 -9.487 -9.347 485 1H2* A 206 1H2* A 206 17.370 -9.333 -10.976 486 2HO* A 206 2HO* A 206 18.078 -9.523 -13.103 487 H1* A 206 H1* A 206 17.583 -12.049 -11.920 488 H8 A 206 H8 A 206 16.922 -11.211 -8.268 489 1H6 A 206 1H6 A 206 10.905 -12.212 -9.590 490 2H6 A 206 2H6 A 206 12.035 -11.872 -8.299 491 H2 A 206 H2 A 206 13.218 -12.450 -13.376 492 1H5* G 207 1H5* G 207 19.994 -8.111 -12.868 493 2H5* G 207 2H5* G 207 20.104 -6.388 -13.228 494 H4* G 207 H4* G 207 18.046 -7.232 -14.108 495 H3* G 207 H3* G 207 17.442 -5.655 -11.576 496 1H2* G 207 1H2* G 207 15.282 -5.554 -12.417 497 2HO* G 207 2HO* G 207 16.636 -6.026 -14.915 498 H1* G 207 H1* G 207 15.499 -8.001 -13.930 499 H8 G 207 H8 G 207 16.255 -7.845 -10.206 500 H1 G 207 H1 G 207 10.232 -9.688 -11.686 501 1H2 G 207 1H2 G 207 9.934 -9.504 -13.718 502 2H2 G 207 2H2 G 207 11.137 -8.935 -14.853 503 1H5* C 208 1H5* C 208 18.442 -2.436 -14.863 504 2H5* C 208 2H5* C 208 18.214 -0.785 -14.286 505 H4* C 208 H4* C 208 16.524 -1.501 -15.943 506 H3* C 208 H3* C 208 15.768 -0.514 -13.241 507 1H2* C 208 1H2* C 208 13.514 -1.054 -13.486 508 2HO* C 208 2HO* C 208 12.687 -1.160 -15.615 509 H1* C 208 H1* C 208 14.028 -3.454 -14.984 510 1H4 C 208 1H4 C 208 12.122 -5.663 -9.323 511 2H4 C 208 2H4 C 208 13.574 -5.039 -8.573 512 H5 C 208 H5 C 208 15.202 -3.766 -9.716 513 H6 C 208 H6 C 208 15.844 -2.768 -11.881 514 1H5* G 209 1H5* G 209 13.662 1.140 -15.945 515 2H5* G 209 2H5* G 209 12.785 2.664 -16.080 516 H4* G 209 H4* G 209 11.439 1.076 -14.885 517 H3* G 209 H3* G 209 12.516 2.941 -12.745 518 1H2* G 209 1H2* G 209 10.423 2.483 -11.790 519 2HO* G 209 2HO* G 209 9.486 3.088 -13.907 520 H1* G 209 H1* G 209 10.209 -0.133 -12.550 521 H8 G 209 H8 G 209 13.587 1.543 -11.817 522 H1 G 209 H1 G 209 11.327 -2.355 -7.172 523 1H2 G 209 1H2 G 209 9.481 -3.089 -7.726 524 2H2 G 209 2H2 G 209 8.668 -2.707 -9.226 525 1H5* G 210 1H5* G 210 10.058 7.188 -12.746 526 2H5* G 210 2H5* G 210 10.965 7.045 -11.241 527 H4* G 210 H4* G 210 8.952 5.287 -10.767 528 H3* G 210 H3* G 210 7.958 6.825 -12.992 529 1H2* G 210 1H2* G 210 6.921 8.472 -11.801 530 2HO* G 210 2HO* G 210 5.729 6.101 -10.677 531 H1* G 210 H1* G 210 7.012 7.447 -9.091 532 H8 G 210 H8 G 210 9.954 8.779 -11.147 533 H1 G 210 H1 G 210 7.580 12.870 -6.730 534 1H2 G 210 1H2 G 210 5.921 12.033 -5.837 535 2H2 G 210 2H2 G 210 5.269 10.456 -6.226 536 1H5* A 211 1H5* A 211 8.497 3.393 -11.142 537 2H5* A 211 2H5* A 211 8.389 1.659 -11.447 538 H4* A 211 H4* A 211 7.143 1.790 -9.550 539 H3* A 211 H3* A 211 5.286 2.090 -11.863 540 1H2* A 211 1H2* A 211 4.163 3.555 -10.386 541 2HO* A 211 2HO* A 211 3.635 0.839 -9.581 542 H1* A 211 H1* A 211 5.094 1.751 -8.093 543 H8 A 211 H8 A 211 5.241 5.513 -8.821 544 1H6 A 211 1H6 A 211 2.158 6.170 -3.434 545 2H6 A 211 2H6 A 211 2.907 7.040 -4.754 546 H2 A 211 H2 A 211 2.646 1.827 -4.237 547 1H5* G 212 1H5* G 212 3.362 -2.429 -9.331 548 2H5* G 212 2H5* G 212 4.300 -0.963 -9.048 549 H4* G 212 H4* G 212 5.800 -3.497 -9.518 550 H3* G 212 H3* G 212 3.835 -3.387 -7.436 551 1H2* G 212 1H2* G 212 5.090 -2.581 -5.719 552 2HO* G 212 2HO* G 212 6.043 -4.429 -5.100 553 H1* G 212 H1* G 212 7.672 -2.486 -7.191 554 H8 G 212 H8 G 212 4.615 -0.276 -6.446 555 H1 G 212 H1 G 212 10.365 2.291 -4.951 556 1H2 G 212 1H2 G 212 11.864 0.974 -5.473 557 2H2 G 212 2H2 G 212 11.602 -0.591 -6.207 558 1H5* G 213 1H5* G 213 3.790 -4.368 -9.540 559 2H5* G 213 2H5* G 213 2.035 -4.544 -9.506 560 H4* G 213 H4* G 213 1.986 -5.549 -11.496 561 H3* G 213 H3* G 213 3.881 -7.407 -10.284 562 1H2* G 213 1H2* G 213 5.253 -7.769 -12.125 563 2HO* G 213 2HO* G 213 3.268 -6.415 -13.699 564 H1* G 213 H1* G 213 5.315 -5.189 -13.142 565 H8 G 213 H8 G 213 5.442 -6.346 -9.475 566 H1 G 213 H1 G 213 10.913 -3.795 -11.807 567 1H2 G 213 1H2 G 213 10.631 -3.239 -13.772 568 2H2 G 213 2H2 G 213 9.135 -3.434 -14.657 569 1H5* C 214 1H5* C 214 1.645 -9.378 -13.463 570 2H5* C 214 2H5* C 214 1.441 -11.127 -13.380 571 H4* C 214 H4* C 214 2.794 -10.559 -15.286 572 H3* C 214 H3* C 214 4.155 -12.027 -13.057 573 1H2* C 214 1H2* C 214 6.204 -12.019 -14.206 574 2HO* C 214 2HO* C 214 6.087 -11.412 -16.515 575 H1* C 214 H1* C 214 5.958 -9.353 -15.119 576 1H4 C 214 1H4 C 214 9.764 -8.700 -10.061 577 2H4 C 214 2H4 C 214 8.468 -9.187 -8.992 578 H5 C 214 H5 C 214 6.335 -9.873 -9.740 579 H6 C 214 H6 C 214 4.906 -10.264 -11.716 580 1H5* U 215 1H5* U 215 4.813 -13.743 -16.492 581 2H5* U 215 2H5* U 215 4.881 -15.481 -16.778 582 H4* U 215 H4* U 215 6.998 -14.493 -17.336 583 H3* U 215 H3* U 215 6.946 -16.299 -14.948 584 1H2* U 215 1H2* U 215 9.062 -15.705 -14.327 585 2HO* U 215 2HO* U 215 10.533 -16.005 -15.942 586 H1* U 215 H1* U 215 9.230 -13.298 -15.992 587 H3 U 215 H3 U 215 10.945 -11.584 -12.197 588 H5 U 215 H5 U 215 7.071 -12.709 -11.071 589 H6 U 215 H6 U 215 6.821 -13.708 -13.296 590 1H5* A 216 1H5* A 216 9.502 -17.428 -17.727 591 2H5* A 216 2H5* A 216 9.872 -19.030 -18.363 592 H4* A 216 H4* A 216 11.879 -18.275 -17.437 593 H3* A 216 H3* A 216 10.484 -20.223 -15.636 594 1H2* A 216 1H2* A 216 12.038 -19.926 -13.952 595 2HO* A 216 2HO* A 216 13.711 -20.430 -15.479 596 H1* A 216 H1* A 216 12.669 -17.195 -14.888 597 H8 A 216 H8 A 216 9.298 -18.061 -13.432 598 1H6 A 216 1H6 A 216 11.508 -15.889 -8.015 599 2H6 A 216 2H6 A 216 10.073 -16.467 -8.830 600 H2 A 216 H2 A 216 14.859 -16.024 -10.928 601 1H5* G 217 1H5* G 217 14.129 -22.083 -16.508 602 2H5* G 217 2H5* G 217 14.208 -23.802 -16.122 603 H4* G 217 H4* G 217 15.277 -22.450 -14.401 604 H3* G 217 H3* G 217 12.703 -23.743 -13.424 605 1H2* G 217 1H2* G 217 13.563 -23.363 -11.275 606 2HO* G 217 2HO* G 217 15.607 -24.291 -12.004 607 H1* G 217 H1* G 217 14.850 -20.909 -12.103 608 H8 G 217 H8 G 217 11.147 -21.541 -12.675 609 H1 G 217 H1 G 217 12.542 -18.269 -7.268 610 1H2 G 217 1H2 G 217 14.586 -18.217 -7.002 611 2H2 G 217 2H2 G 217 15.749 -18.952 -8.082 612 1H5* U 218 1H5* U 218 15.755 -26.260 -12.314 613 2H5* U 218 2H5* U 218 15.460 -27.934 -11.843 614 H4* U 218 H4* U 218 15.900 -26.674 -9.870 615 H3* U 218 H3* U 218 12.910 -27.196 -10.065 616 1H2* U 218 1H2* U 218 12.867 -26.684 -7.785 617 2HO* U 218 2HO* U 218 15.342 -26.645 -6.960 618 H1* U 218 H1* U 218 14.960 -24.755 -7.926 619 H3 U 218 H3 U 218 11.625 -22.020 -6.660 620 H5 U 218 H5 U 218 10.371 -23.347 -10.428 621 H6 U 218 H6 U 218 12.319 -24.835 -10.443 622 1H5* C 219 1H5* C 219 14.224 -29.240 -6.787 623 2H5* C 219 2H5* C 219 13.585 -30.883 -6.753 624 H4* C 219 H4* C 219 13.001 -30.051 -4.676 625 H3* C 219 H3* C 219 10.674 -29.821 -6.556 626 1H2* C 219 1H2* C 219 9.345 -28.853 -4.869 627 2HO* C 219 2HO* C 219 10.216 -30.393 -3.328 628 H1* C 219 H1* C 219 11.370 -27.136 -3.932 629 1H4 C 219 1H4 C 219 8.111 -23.313 -7.836 630 2H4 C 219 2H4 C 219 8.579 -24.279 -9.216 631 H5 C 219 H5 C 219 9.854 -26.262 -9.062 632 H6 C 219 H6 C 219 11.004 -27.820 -7.531 633 1H5* C 220 1H5* C 220 9.280 -32.263 -3.532 634 2H5* C 220 2H5* C 220 8.681 -33.856 -3.991 635 H4* C 220 H4* C 220 6.859 -32.994 -2.905 636 H3* C 220 H3* C 220 6.551 -32.421 -5.832 637 1H2* C 220 1H2* C 220 4.505 -31.304 -5.448 638 2HO* C 220 2HO* C 220 3.510 -32.484 -3.900 639 H1* C 220 H1* C 220 5.447 -29.809 -3.285 640 1H4 C 220 1H4 C 220 6.486 -25.802 -8.113 641 2H4 C 220 2H4 C 220 7.651 -26.902 -8.814 642 H5 C 220 H5 C 220 8.158 -29.028 -7.919 643 H6 C 220 H6 C 220 7.667 -30.637 -6.111 No H/Q in entry = 643
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