NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
1582 | 1aq5 | 4054 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 3H GLY 1 18.641 -13.895 -16.301 2 2H GLY 1 2H GLY 1 19.367 -15.418 -16.101 3 3H GLY 1 1H GLY 1 19.184 -14.379 -14.769 4 1HA GLY 1 2HA GLY 1 21.324 -13.883 -15.187 5 2HA GLY 1 1HA GLY 1 21.185 -14.369 -16.878 6 H SER 2 H SER 2 22.122 -11.799 -15.430 7 HA SER 2 HA SER 2 20.568 -9.924 -17.179 8 1HB SER 2 2HB SER 2 20.510 -8.355 -15.333 9 2HB SER 2 1HB SER 2 19.924 -9.902 -14.730 10 HG SER 2 HG SER 2 22.554 -8.850 -14.488 11 H HIS 3 H HIS 3 21.829 -8.162 -18.006 12 HA HIS 3 HA HIS 3 24.587 -8.684 -18.553 13 1HB HIS 3 2HB HIS 3 22.897 -6.162 -18.646 14 2HB HIS 3 1HB HIS 3 24.492 -6.308 -19.384 15 HD1 HIS 3 HD1 HIS 3 23.458 -6.024 -21.774 16 HD2 HIS 3 HD2 HIS 3 22.074 -9.366 -19.704 17 HE1 HIS 3 HE1 HIS 3 22.262 -7.473 -23.472 18 H MET 4 H MET 4 26.344 -7.003 -17.937 19 HA MET 4 HA MET 4 26.008 -6.072 -15.110 20 1HB MET 4 2HB MET 4 28.177 -7.771 -16.369 21 2HB MET 4 1HB MET 4 28.409 -6.936 -14.833 22 1HG MET 4 2HG MET 4 25.972 -8.152 -14.453 23 2HG MET 4 1HG MET 4 26.824 -9.342 -15.436 24 1HE MET 4 3HE MET 4 26.324 -10.814 -13.329 25 2HE MET 4 2HE MET 4 27.080 -10.622 -11.748 26 3HE MET 4 1HE MET 4 25.814 -9.503 -12.253 27 H GLU 5 H GLU 5 25.779 -4.372 -17.335 28 HA GLU 5 HA GLU 5 28.061 -2.565 -16.878 29 1HB GLU 5 2HB GLU 5 27.574 -4.145 -19.379 30 2HB GLU 5 1HB GLU 5 28.228 -2.514 -19.533 31 1HG GLU 5 2HG GLU 5 29.926 -3.256 -17.712 32 2HG GLU 5 1HG GLU 5 29.430 -4.896 -18.130 33 H GLU 6 H GLU 6 25.131 -3.229 -18.814 34 HA GLU 6 HA GLU 6 24.593 -0.452 -19.433 35 1HB GLU 6 2HB GLU 6 23.348 -3.120 -19.712 36 2HB GLU 6 1HB GLU 6 22.204 -1.779 -19.634 37 1HG GLU 6 2HG GLU 6 24.199 -0.838 -21.329 38 2HG GLU 6 1HG GLU 6 24.025 -2.533 -21.788 39 H ASP 7 H ASP 7 22.144 0.240 -18.708 40 HA ASP 7 HA ASP 7 20.920 1.158 -16.901 41 1HB ASP 7 2HB ASP 7 20.284 -1.225 -16.848 42 2HB ASP 7 1HB ASP 7 21.680 -1.581 -15.830 43 HA PRO 8 HA PRO 8 24.657 2.418 -14.611 44 1HB PRO 8 2HB PRO 8 23.993 5.072 -14.518 45 2HB PRO 8 1HB PRO 8 24.819 4.327 -15.900 46 1HG PRO 8 2HG PRO 8 21.966 5.083 -15.586 47 2HG PRO 8 1HG PRO 8 22.998 5.133 -17.021 48 1HD PRO 8 2HD PRO 8 21.125 3.179 -16.517 49 2HD PRO 8 1HD PRO 8 22.531 2.978 -17.585 50 H CYS 9 H CYS 9 21.662 4.288 -13.952 51 HA CYS 9 HA CYS 9 21.793 3.299 -11.126 52 1HB CYS 9 2HB CYS 9 21.596 6.018 -12.355 53 2HB CYS 9 1HB CYS 9 20.720 5.737 -10.848 54 H GLU 10 H GLU 10 20.193 2.235 -13.362 55 HA GLU 10 HA GLU 10 17.958 1.641 -13.839 56 1HB GLU 10 2HB GLU 10 18.047 2.266 -10.885 57 2HB GLU 10 1HB GLU 10 16.574 1.669 -11.651 58 1HG GLU 10 2HG GLU 10 17.381 -0.421 -11.466 59 2HG GLU 10 1HG GLU 10 18.663 0.020 -12.595 60 H CYS 11 H CYS 11 18.648 4.397 -14.449 61 HA CYS 11 HA CYS 11 17.055 6.447 -13.530 62 1HB CYS 11 2HB CYS 11 18.093 5.577 -16.189 63 2HB CYS 11 1HB CYS 11 16.935 6.911 -16.171 64 H LYS 12 H LYS 12 16.011 3.640 -15.375 65 HA LYS 12 HA LYS 12 13.191 4.653 -15.204 66 1HB LYS 12 2HB LYS 12 14.609 3.017 -17.330 67 2HB LYS 12 1HB LYS 12 12.873 3.330 -17.325 68 1HG LYS 12 2HG LYS 12 13.142 5.453 -18.070 69 2HG LYS 12 1HG LYS 12 14.491 5.756 -16.974 70 1HD LYS 12 2HD LYS 12 16.051 5.187 -18.534 71 2HD LYS 12 1HD LYS 12 15.075 3.860 -19.164 72 1HE LYS 12 2HE LYS 12 14.120 5.173 -20.775 73 2HE LYS 12 1HE LYS 12 13.982 6.567 -19.686 74 1HZ LYS 12 2HZ LYS 12 16.553 6.518 -19.798 75 2HZ LYS 12 1HZ LYS 12 16.311 5.656 -21.241 76 3HZ LYS 12 3HZ LYS 12 15.684 7.223 -21.077 77 H SER 13 H SER 13 15.376 2.305 -14.166 78 HA SER 13 HA SER 13 13.511 0.034 -14.070 79 1HB SER 13 2HB SER 13 16.324 0.685 -13.330 80 2HB SER 13 1HB SER 13 15.571 -0.656 -12.475 81 HG SER 13 HG SER 13 16.113 -1.713 -14.219 82 H ILE 14 H ILE 14 14.602 2.602 -11.944 83 HA ILE 14 HA ILE 14 13.410 1.485 -9.511 84 HB ILE 14 HB ILE 14 14.628 4.120 -10.370 85 1HG1 ILE 14 2HG1 ILE 14 15.676 2.298 -8.235 86 2HG1 ILE 14 1HG1 ILE 14 15.912 1.853 -9.922 87 1HG2 ILE 14 2HG2 ILE 14 13.633 3.317 -7.617 88 2HG2 ILE 14 1HG2 ILE 14 14.574 4.765 -7.975 89 3HG2 ILE 14 3HG2 ILE 14 12.949 4.583 -8.636 90 1HD1 ILE 14 3HD1 ILE 14 16.886 4.133 -10.325 91 2HD1 ILE 14 2HD1 ILE 14 16.794 4.426 -8.588 92 3HD1 ILE 14 1HD1 ILE 14 17.835 3.147 -9.212 93 H VAL 15 H VAL 15 12.635 3.863 -11.983 94 HA VAL 15 HA VAL 15 10.144 4.717 -10.670 95 HB VAL 15 HB VAL 15 10.694 5.279 -13.553 96 1HG1 VAL 15 1HG1 VAL 15 9.899 6.884 -11.110 97 2HG1 VAL 15 3HG1 VAL 15 10.184 7.612 -12.691 98 3HG1 VAL 15 2HG1 VAL 15 8.885 6.439 -12.483 99 1HG2 VAL 15 3HG2 VAL 15 12.551 6.069 -11.301 100 2HG2 VAL 15 2HG2 VAL 15 12.966 5.448 -12.898 101 3HG2 VAL 15 1HG2 VAL 15 12.364 7.095 -12.723 102 H LYS 16 H LYS 16 11.266 2.306 -12.843 103 HA LYS 16 HA LYS 16 8.753 1.685 -14.167 104 1HB LYS 16 2HB LYS 16 10.696 0.915 -15.252 105 2HB LYS 16 1HB LYS 16 11.460 0.429 -13.739 106 1HG LYS 16 2HG LYS 16 8.940 -0.961 -14.541 107 2HG LYS 16 1HG LYS 16 10.423 -1.374 -15.401 108 1HD LYS 16 2HD LYS 16 11.202 -1.308 -12.727 109 2HD LYS 16 1HD LYS 16 9.610 -2.068 -12.686 110 1HE LYS 16 2HE LYS 16 10.295 -3.769 -14.262 111 2HE LYS 16 1HE LYS 16 11.832 -2.934 -14.567 112 1HZ LYS 16 3HZ LYS 16 11.236 -3.419 -11.777 113 2HZ LYS 16 2HZ LYS 16 11.505 -4.826 -12.690 114 3HZ LYS 16 1HZ LYS 16 12.693 -3.615 -12.623 115 H PHE 17 H PHE 17 10.555 0.501 -11.344 116 HA PHE 17 HA PHE 17 8.597 -1.494 -10.565 117 1HB PHE 17 2HB PHE 17 10.708 -1.856 -9.650 118 2HB PHE 17 1HB PHE 17 11.025 -0.134 -9.451 119 HD1 PHE 17 HD1 PHE 17 10.040 1.115 -7.557 120 HD2 PHE 17 HD2 PHE 17 9.595 -3.138 -7.928 121 HE1 PHE 17 HE1 PHE 17 9.343 0.986 -5.184 122 HE2 PHE 17 HE2 PHE 17 8.897 -3.270 -5.553 123 HZ PHE 17 HZ PHE 17 8.772 -1.210 -4.178 124 H GLN 18 H GLN 18 9.081 1.948 -9.996 125 HA GLN 18 HA GLN 18 7.352 2.379 -7.786 126 1HB GLN 18 2HB GLN 18 8.339 3.933 -10.150 127 2HB GLN 18 1HB GLN 18 7.058 4.643 -9.167 128 1HG GLN 18 2HG GLN 18 8.552 4.071 -7.141 129 2HG GLN 18 1HG GLN 18 9.843 3.851 -8.319 130 1HE2 GLN 18 2HE2 GLN 18 8.862 7.516 -9.245 131 2HE2 GLN 18 1HE2 GLN 18 8.293 6.087 -9.961 132 H THR 19 H THR 19 6.633 2.344 -11.275 133 HA THR 19 HA THR 19 3.841 2.901 -11.128 134 HB THR 19 HB THR 19 5.627 1.339 -13.008 135 HG1 THR 19 HG1 THR 19 5.492 3.771 -12.664 136 1HG2 THR 19 1HG2 THR 19 2.670 1.552 -12.949 137 2HG2 THR 19 3HG2 THR 19 3.433 1.851 -14.511 138 3HG2 THR 19 2HG2 THR 19 3.698 0.318 -13.679 139 H LYS 20 H LYS 20 5.667 -0.099 -10.661 140 HA LYS 20 HA LYS 20 3.394 -1.885 -10.662 141 1HB LYS 20 2HB LYS 20 6.218 -1.949 -9.560 142 2HB LYS 20 1HB LYS 20 5.118 -3.317 -9.379 143 1HG LYS 20 2HG LYS 20 5.804 -2.045 -12.043 144 2HG LYS 20 1HG LYS 20 6.605 -3.480 -11.402 145 1HD LYS 20 2HD LYS 20 4.840 -4.824 -11.879 146 2HD LYS 20 1HD LYS 20 3.665 -3.625 -11.337 147 1HE LYS 20 2HE LYS 20 5.096 -2.900 -13.825 148 2HE LYS 20 1HE LYS 20 4.013 -4.300 -13.961 149 1HZ LYS 20 1HZ LYS 20 2.277 -3.013 -12.868 150 2HZ LYS 20 3HZ LYS 20 3.304 -1.667 -12.775 151 3HZ LYS 20 2HZ LYS 20 2.789 -2.238 -14.290 152 H VAL 21 H VAL 21 4.968 0.170 -8.309 153 HA VAL 21 HA VAL 21 3.507 -0.870 -5.987 154 HB VAL 21 HB VAL 21 5.430 1.334 -6.671 155 1HG1 VAL 21 1HG1 VAL 21 3.618 1.234 -4.266 156 2HG1 VAL 21 3HG1 VAL 21 5.215 1.976 -4.164 157 3HG1 VAL 21 2HG1 VAL 21 4.016 2.614 -5.289 158 1HG2 VAL 21 2HG2 VAL 21 5.361 -1.180 -5.128 159 2HG2 VAL 21 1HG2 VAL 21 6.713 -0.401 -5.949 160 3HG2 VAL 21 3HG2 VAL 21 6.231 0.136 -4.340 161 H GLU 22 H GLU 22 3.005 1.440 -8.520 162 HA GLU 22 HA GLU 22 1.073 3.122 -7.163 163 1HB GLU 22 2HB GLU 22 2.100 2.608 -9.926 164 2HB GLU 22 1HB GLU 22 0.598 3.515 -9.768 165 1HG GLU 22 2HG GLU 22 1.921 4.889 -7.973 166 2HG GLU 22 1HG GLU 22 3.344 4.226 -8.776 167 H GLU 23 H GLU 23 0.790 0.410 -9.490 168 HA GLU 23 HA GLU 23 -2.123 0.366 -9.348 169 1HB GLU 23 2HB GLU 23 -0.234 -1.806 -10.293 170 2HB GLU 23 1HB GLU 23 -1.876 -1.485 -10.852 171 1HG GLU 23 2HG GLU 23 -0.857 0.891 -11.441 172 2HG GLU 23 1HG GLU 23 0.656 -0.017 -11.474 173 H LEU 24 H LEU 24 0.530 -1.409 -7.798 174 HA LEU 24 HA LEU 24 -1.070 -3.451 -6.564 175 1HB LEU 24 2HB LEU 24 1.528 -3.076 -6.906 176 2HB LEU 24 1HB LEU 24 1.415 -2.303 -5.325 177 HG LEU 24 HG LEU 24 0.403 -4.333 -4.384 178 1HD1 LEU 24 3HD1 LEU 24 0.471 -5.153 -7.268 179 2HD1 LEU 24 2HD1 LEU 24 0.629 -6.396 -6.026 180 3HD1 LEU 24 1HD1 LEU 24 -0.809 -5.374 -6.075 181 1HD2 LEU 24 1HD2 LEU 24 2.895 -4.089 -4.476 182 2HD2 LEU 24 3HD2 LEU 24 2.371 -5.773 -4.496 183 3HD2 LEU 24 2HD2 LEU 24 2.892 -4.993 -5.990 184 H ILE 25 H ILE 25 0.167 -0.326 -5.329 185 HA ILE 25 HA ILE 25 -1.019 -0.461 -2.748 186 HB ILE 25 HB ILE 25 0.670 1.176 -4.005 187 1HG1 ILE 25 2HG1 ILE 25 -0.804 2.752 -2.045 188 2HG1 ILE 25 1HG1 ILE 25 -0.549 1.090 -1.508 189 1HG2 ILE 25 3HG2 ILE 25 -1.074 2.122 -5.490 190 2HG2 ILE 25 2HG2 ILE 25 -1.940 2.712 -4.074 191 3HG2 ILE 25 1HG2 ILE 25 -0.346 3.357 -4.464 192 1HD1 ILE 25 2HD1 ILE 25 1.895 1.684 -2.591 193 2HD1 ILE 25 1HD1 ILE 25 1.418 3.249 -1.933 194 3HD1 ILE 25 3HD1 ILE 25 1.505 1.839 -0.878 195 H ASN 26 H ASN 26 -2.310 0.757 -5.850 196 HA ASN 26 HA ASN 26 -4.782 1.790 -4.861 197 1HB ASN 26 2HB ASN 26 -3.589 1.845 -7.202 198 2HB ASN 26 1HB ASN 26 -4.492 0.358 -7.495 199 1HD2 ASN 26 2HD2 ASN 26 -6.524 3.913 -7.185 200 2HD2 ASN 26 1HD2 ASN 26 -4.925 3.809 -6.623 201 H THR 27 H THR 27 -3.863 -1.444 -5.989 202 HA THR 27 HA THR 27 -6.401 -2.727 -5.741 203 HB THR 27 HB THR 27 -3.509 -3.602 -5.543 204 HG1 THR 27 HG1 THR 27 -5.498 -4.041 -7.515 205 1HG2 THR 27 2HG2 THR 27 -5.955 -5.104 -4.923 206 2HG2 THR 27 1HG2 THR 27 -4.958 -5.870 -6.161 207 3HG2 THR 27 3HG2 THR 27 -4.271 -5.504 -4.579 208 H LEU 28 H LEU 28 -3.884 -1.969 -3.370 209 HA LEU 28 HA LEU 28 -4.923 -3.633 -1.241 210 1HB LEU 28 2HB LEU 28 -3.044 -1.298 -1.539 211 2HB LEU 28 1HB LEU 28 -3.518 -1.820 0.077 212 HG LEU 28 HG LEU 28 -2.780 -4.058 -1.660 213 1HD1 LEU 28 3HD1 LEU 28 -0.925 -1.732 -1.296 214 2HD1 LEU 28 2HD1 LEU 28 -0.255 -3.362 -1.226 215 3HD1 LEU 28 1HD1 LEU 28 -1.099 -2.817 -2.675 216 1HD2 LEU 28 3HD2 LEU 28 -2.923 -3.483 1.048 217 2HD2 LEU 28 2HD2 LEU 28 -2.158 -4.911 0.351 218 3HD2 LEU 28 1HD2 LEU 28 -1.186 -3.493 0.742 219 H GLN 29 H GLN 29 -5.327 -0.205 -2.124 220 HA GLN 29 HA GLN 29 -7.114 0.430 0.067 221 1HB GLN 29 2HB GLN 29 -5.621 1.852 -1.616 222 2HB GLN 29 1HB GLN 29 -7.097 1.847 -2.578 223 1HG GLN 29 2HG GLN 29 -8.346 2.706 -0.585 224 2HG GLN 29 1HG GLN 29 -6.813 2.826 0.279 225 1HE2 GLN 29 2HE2 GLN 29 -6.885 6.175 -0.996 226 2HE2 GLN 29 1HE2 GLN 29 -7.236 5.225 0.366 227 H GLN 30 H GLN 30 -7.422 -1.320 -2.842 228 HA GLN 30 HA GLN 30 -10.259 -0.785 -3.334 229 1HB GLN 30 2HB GLN 30 -8.184 -2.749 -4.339 230 2HB GLN 30 1HB GLN 30 -9.851 -2.779 -4.906 231 1HG GLN 30 2HG GLN 30 -8.900 -0.075 -4.980 232 2HG GLN 30 1HG GLN 30 -7.742 -1.111 -5.810 233 1HE2 GLN 30 2HE2 GLN 30 -11.431 -0.503 -7.436 234 2HE2 GLN 30 1HE2 GLN 30 -11.055 0.105 -5.896 235 H LYS 31 H LYS 31 -8.346 -3.594 -2.199 236 HA LYS 31 HA LYS 31 -10.626 -5.166 -1.389 237 1HB LYS 31 2HB LYS 31 -7.665 -5.149 -1.074 238 2HB LYS 31 1HB LYS 31 -8.562 -6.068 0.135 239 1HG LYS 31 2HG LYS 31 -9.708 -7.320 -1.654 240 2HG LYS 31 1HG LYS 31 -8.819 -6.401 -2.869 241 1HD LYS 31 2HD LYS 31 -6.689 -7.226 -1.669 242 2HD LYS 31 1HD LYS 31 -7.744 -8.401 -0.881 243 1HE LYS 31 2HE LYS 31 -7.365 -8.067 -3.880 244 2HE LYS 31 1HE LYS 31 -6.807 -9.431 -2.891 245 1HZ LYS 31 3HZ LYS 31 -9.365 -9.269 -2.153 246 2HZ LYS 31 2HZ LYS 31 -9.494 -8.763 -3.769 247 3HZ LYS 31 1HZ LYS 31 -8.817 -10.278 -3.402 248 H LEU 32 H LEU 32 -8.977 -2.460 -0.033 249 HA LEU 32 HA LEU 32 -9.752 -2.907 2.751 250 1HB LEU 32 2HB LEU 32 -7.779 -1.573 1.691 251 2HB LEU 32 1HB LEU 32 -8.972 -0.296 1.452 252 HG LEU 32 HG LEU 32 -9.476 -0.285 3.852 253 1HD1 LEU 32 3HD1 LEU 32 -7.613 -2.641 3.808 254 2HD1 LEU 32 2HD1 LEU 32 -7.712 -1.648 5.261 255 3HD1 LEU 32 1HD1 LEU 32 -9.154 -2.457 4.647 256 1HD2 LEU 32 1HD2 LEU 32 -6.622 0.005 2.940 257 2HD2 LEU 32 3HD2 LEU 32 -7.784 1.264 3.360 258 3HD2 LEU 32 2HD2 LEU 32 -7.039 0.293 4.629 259 H GLU 33 H GLU 33 -10.817 -0.714 0.121 260 HA GLU 33 HA GLU 33 -12.996 0.452 1.608 261 1HB GLU 33 2HB GLU 33 -12.002 1.531 -0.329 262 2HB GLU 33 1HB GLU 33 -12.383 0.142 -1.349 263 1HG GLU 33 2HG GLU 33 -14.483 0.883 -1.714 264 2HG GLU 33 1HG GLU 33 -14.756 1.140 0.011 265 H ALA 34 H ALA 34 -12.566 -2.588 0.071 266 HA ALA 34 HA ALA 34 -15.460 -3.097 -0.284 267 1HB ALA 34 2HB ALA 34 -13.491 -3.860 -1.796 268 2HB ALA 34 1HB ALA 34 -13.149 -5.040 -0.531 269 3HB ALA 34 3HB ALA 34 -14.696 -5.078 -1.378 270 H VAL 35 H VAL 35 -12.755 -3.843 1.818 271 HA VAL 35 HA VAL 35 -13.971 -5.884 3.427 272 HB VAL 35 HB VAL 35 -11.659 -4.030 3.440 273 1HG1 VAL 35 3HG1 VAL 35 -12.655 -3.565 5.671 274 2HG1 VAL 35 2HG1 VAL 35 -12.583 -5.289 6.034 275 3HG1 VAL 35 1HG1 VAL 35 -11.094 -4.377 5.784 276 1HG2 VAL 35 1HG2 VAL 35 -11.543 -6.372 2.669 277 2HG2 VAL 35 3HG2 VAL 35 -10.474 -6.097 4.044 278 3HG2 VAL 35 2HG2 VAL 35 -12.018 -6.919 4.277 279 H ALA 36 H ALA 36 -13.903 -2.329 3.604 280 HA ALA 36 HA ALA 36 -15.303 -2.105 6.120 281 1HB ALA 36 3HB ALA 36 -13.969 -0.457 4.352 282 2HB ALA 36 2HB ALA 36 -15.647 0.033 4.117 283 3HB ALA 36 1HB ALA 36 -14.922 0.112 5.723 284 H LYS 37 H LYS 37 -16.274 -2.580 2.785 285 HA LYS 37 HA LYS 37 -19.071 -1.851 3.195 286 1HB LYS 37 2HB LYS 37 -17.276 -2.853 1.082 287 2HB LYS 37 1HB LYS 37 -18.927 -3.462 0.956 288 1HG LYS 37 2HG LYS 37 -19.766 -1.423 0.409 289 2HG LYS 37 1HG LYS 37 -18.750 -0.589 1.585 290 1HD LYS 37 2HD LYS 37 -17.506 0.128 -0.152 291 2HD LYS 37 1HD LYS 37 -16.955 -1.537 -0.341 292 1HE LYS 37 2HE LYS 37 -18.410 -1.962 -2.103 293 2HE LYS 37 1HE LYS 37 -19.600 -0.773 -1.539 294 1HZ LYS 37 3HZ LYS 37 -17.268 0.640 -1.962 295 2HZ LYS 37 2HZ LYS 37 -17.402 -0.392 -3.304 296 3HZ LYS 37 1HZ LYS 37 -18.665 0.677 -2.922 297 H ARG 38 H ARG 38 -17.123 -4.719 3.620 298 HA ARG 38 HA ARG 38 -19.432 -6.530 3.794 299 1HB ARG 38 2HB ARG 38 -16.589 -7.014 4.719 300 2HB ARG 38 1HB ARG 38 -17.741 -8.185 4.081 301 1HG ARG 38 2HG ARG 38 -17.468 -6.223 2.077 302 2HG ARG 38 1HG ARG 38 -15.833 -6.555 2.646 303 1HD ARG 38 2HD ARG 38 -16.647 -9.082 2.483 304 2HD ARG 38 1HD ARG 38 -17.773 -8.392 1.296 305 HE ARG 38 HE ARG 38 -15.052 -7.414 0.953 306 1HH1 ARG 38 2HH1 ARG 38 -17.268 -9.986 0.320 307 2HH1 ARG 38 1HH1 ARG 38 -16.478 -10.479 -1.139 308 1HH2 ARG 38 1HH2 ARG 38 -14.028 -8.033 -0.956 309 2HH2 ARG 38 2HH2 ARG 38 -14.644 -9.376 -1.859 310 H ILE 39 H ILE 39 -17.257 -4.717 5.881 311 HA ILE 39 HA ILE 39 -17.980 -5.820 8.414 312 HB ILE 39 HB ILE 39 -16.928 -3.186 7.378 313 1HG1 ILE 39 2HG1 ILE 39 -15.569 -5.370 7.561 314 2HG1 ILE 39 1HG1 ILE 39 -14.867 -3.931 8.298 315 1HG2 ILE 39 2HG2 ILE 39 -18.086 -3.755 10.037 316 2HG2 ILE 39 1HG2 ILE 39 -16.473 -3.041 10.074 317 3HG2 ILE 39 3HG2 ILE 39 -17.788 -2.206 9.246 318 1HD1 ILE 39 2HD1 ILE 39 -16.641 -5.666 9.970 319 2HD1 ILE 39 1HD1 ILE 39 -14.999 -6.209 9.641 320 3HD1 ILE 39 3HD1 ILE 39 -15.268 -4.671 10.456 321 H GLU 40 H GLU 40 -19.298 -3.075 6.549 322 HA GLU 40 HA GLU 40 -21.344 -2.349 8.425 323 1HB GLU 40 2HB GLU 40 -22.317 -1.242 6.390 324 2HB GLU 40 1HB GLU 40 -20.595 -0.911 6.581 325 1HG GLU 40 2HG GLU 40 -20.005 -2.497 4.896 326 2HG GLU 40 1HG GLU 40 -21.632 -3.178 4.870 327 H ALA 41 H ALA 41 -21.117 -4.744 5.851 328 HA ALA 41 HA ALA 41 -23.857 -5.509 5.661 329 1HB ALA 41 1HB ALA 41 -21.583 -6.191 4.423 330 2HB ALA 41 3HB ALA 41 -21.655 -7.539 5.558 331 3HB ALA 41 2HB ALA 41 -22.977 -7.271 4.422 332 H LEU 42 H LEU 42 -21.283 -6.434 7.912 333 HA LEU 42 HA LEU 42 -22.918 -8.370 9.369 334 1HB LEU 42 2HB LEU 42 -20.275 -6.959 9.826 335 2HB LEU 42 1HB LEU 42 -20.938 -8.095 10.990 336 HG LEU 42 HG LEU 42 -19.773 -9.648 9.817 337 1HD1 LEU 42 3HD1 LEU 42 -22.046 -9.140 7.878 338 2HD1 LEU 42 2HD1 LEU 42 -20.932 -10.497 7.734 339 3HD1 LEU 42 1HD1 LEU 42 -21.972 -10.360 9.149 340 1HD2 LEU 42 1HD2 LEU 42 -19.185 -7.383 8.288 341 2HD2 LEU 42 3HD2 LEU 42 -18.388 -8.953 8.198 342 3HD2 LEU 42 2HD2 LEU 42 -19.732 -8.585 7.119 343 H GLU 43 H GLU 43 -22.195 -4.936 9.553 344 HA GLU 43 HA GLU 43 -23.174 -4.486 12.235 345 1HB GLU 43 2HB GLU 43 -22.956 -2.703 9.786 346 2HB GLU 43 1HB GLU 43 -23.159 -2.129 11.441 347 1HG GLU 43 2HG GLU 43 -21.028 -3.892 11.624 348 2HG GLU 43 1HG GLU 43 -20.754 -3.071 10.089 349 H ASN 44 H ASN 44 -24.675 -5.163 9.232 350 HA ASN 44 HA ASN 44 -27.205 -3.804 9.699 351 1HB ASN 44 2HB ASN 44 -26.206 -6.020 7.893 352 2HB ASN 44 1HB ASN 44 -27.877 -5.456 7.840 353 1HD2 ASN 44 2HD2 ASN 44 -26.893 -2.148 6.652 354 2HD2 ASN 44 1HD2 ASN 44 -27.964 -2.858 7.761 355 H LYS 45 H LYS 45 -25.756 -6.820 10.667 356 HA LYS 45 HA LYS 45 -28.364 -7.742 11.825 357 1HB LYS 45 2HB LYS 45 -25.848 -9.139 10.886 358 2HB LYS 45 1HB LYS 45 -27.067 -9.965 11.858 359 1HG LYS 45 2HG LYS 45 -27.534 -10.380 9.506 360 2HG LYS 45 1HG LYS 45 -28.786 -9.321 10.158 361 1HD LYS 45 2HD LYS 45 -28.076 -7.504 8.953 362 2HD LYS 45 1HD LYS 45 -26.382 -7.993 9.015 363 1HE LYS 45 2HE LYS 45 -26.695 -8.617 6.836 364 2HE LYS 45 1HE LYS 45 -27.543 -10.020 7.516 365 1HZ LYS 45 3HZ LYS 45 -28.888 -7.412 7.142 366 2HZ LYS 45 2HZ LYS 45 -28.850 -8.575 5.904 367 3HZ LYS 45 1HZ LYS 45 -29.596 -8.933 7.389 368 H ILE 46 H ILE 46 -25.293 -6.442 12.569 369 HA ILE 46 HA ILE 46 -25.312 -7.568 15.334 370 HB ILE 46 HB ILE 46 -23.298 -6.004 13.683 371 1HG1 ILE 46 2HG1 ILE 46 -23.197 -8.216 12.905 372 2HG1 ILE 46 1HG1 ILE 46 -21.997 -8.229 14.190 373 1HG2 ILE 46 2HG2 ILE 46 -23.464 -6.553 16.575 374 2HG2 ILE 46 1HG2 ILE 46 -21.921 -6.985 15.837 375 3HG2 ILE 46 3HG2 ILE 46 -22.528 -5.334 15.710 376 1HD1 ILE 46 2HD1 ILE 46 -23.914 -8.987 15.737 377 2HD1 ILE 46 1HD1 ILE 46 -24.809 -9.324 14.255 378 3HD1 ILE 46 3HD1 ILE 46 -23.296 -10.169 14.584 379 H ILE 47 HN ILE 47 -26.051 -4.736 13.505 380 HA ILE 47 HA ILE 47 -25.606 -2.610 15.288 381 HB ILE 47 HB ILE 47 -26.420 -2.263 13.049 382 1HG1 ILE 47 2HG1 ILE 47 -28.808 -1.591 14.775 383 2HG1 ILE 47 1HG1 ILE 47 -27.275 -0.737 14.949 384 1HG2 ILE 47 1HG2 ILE 47 -28.403 -4.286 13.899 385 2HG2 ILE 47 3HG2 ILE 47 -29.047 -2.993 12.886 386 3HG2 ILE 47 2HG2 ILE 47 -27.711 -3.987 12.305 387 1HD1 ILE 47 2HD1 ILE 47 -27.852 -0.865 12.165 388 2HD1 ILE 47 1HD1 ILE 47 -29.324 -0.335 12.979 389 3HD1 ILE 47 3HD1 ILE 47 -27.823 0.564 13.197 390 1H GLY 1 3H GLY 1 1.227 20.588 -19.179 391 2H GLY 1 2H GLY 1 0.230 20.801 -20.539 392 3H GLY 1 1H GLY 1 0.699 19.239 -20.062 393 1HA GLY 1 2HA GLY 1 2.203 19.519 -21.712 394 2HA GLY 1 1HA GLY 1 2.198 21.274 -21.522 395 H SER 2 H SER 2 4.404 19.132 -21.481 396 HA SER 2 HA SER 2 5.707 20.117 -18.968 397 1HB SER 2 2HB SER 2 6.432 17.907 -18.489 398 2HB SER 2 1HB SER 2 4.758 17.710 -19.000 399 HG SER 2 HG SER 2 7.134 17.271 -20.479 400 H HIS 3 H HIS 3 7.954 20.529 -19.183 401 HA HIS 3 HA HIS 3 8.962 21.299 -21.729 402 1HB HIS 3 2HB HIS 3 10.318 20.544 -19.120 403 2HB HIS 3 1HB HIS 3 11.140 21.349 -20.457 404 HD1 HIS 3 HD1 HIS 3 11.494 23.500 -18.993 405 HD2 HIS 3 HD2 HIS 3 7.496 22.508 -19.637 406 HE1 HIS 3 HE1 HIS 3 10.132 25.519 -18.294 407 H MET 4 H MET 4 11.017 20.286 -22.711 408 HA MET 4 HA MET 4 10.962 17.297 -22.503 409 1HB MET 4 2HB MET 4 10.774 19.119 -24.908 410 2HB MET 4 1HB MET 4 11.286 17.438 -25.064 411 1HG MET 4 2HG MET 4 9.073 17.128 -23.516 412 2HG MET 4 1HG MET 4 8.607 18.545 -24.457 413 1HE MET 4 1HE MET 4 7.316 15.599 -24.381 414 2HE MET 4 3HE MET 4 6.605 16.946 -25.280 415 3HE MET 4 2HE MET 4 6.862 15.393 -26.070 416 H GLU 5 H GLU 5 12.868 18.907 -21.193 417 HA GLU 5 HA GLU 5 15.338 18.014 -22.538 418 1HB GLU 5 2HB GLU 5 14.424 20.863 -22.267 419 2HB GLU 5 1HB GLU 5 16.150 20.506 -22.204 420 1HG GLU 5 2HG GLU 5 15.604 19.065 -24.357 421 2HG GLU 5 1HG GLU 5 14.226 20.162 -24.474 422 H GLU 6 H GLU 6 13.911 19.890 -19.854 423 HA GLU 6 HA GLU 6 16.194 19.589 -18.092 424 1HB GLU 6 2HB GLU 6 13.426 20.636 -18.064 425 2HB GLU 6 1HB GLU 6 14.033 20.105 -16.495 426 1HG GLU 6 2HG GLU 6 16.191 21.481 -17.488 427 2HG GLU 6 1HG GLU 6 14.842 22.416 -18.133 428 H ASP 7 H ASP 7 15.426 18.601 -15.747 429 HA ASP 7 HA ASP 7 15.186 16.554 -14.585 430 1HB ASP 7 2HB ASP 7 12.861 17.167 -14.998 431 2HB ASP 7 1HB ASP 7 12.934 16.474 -16.618 432 HA PRO 8 HA PRO 8 17.424 14.155 -17.759 433 1HB PRO 8 2HB PRO 8 19.348 13.243 -16.037 434 2HB PRO 8 1HB PRO 8 19.444 14.814 -16.856 435 1HG PRO 8 2HG PRO 8 18.668 14.184 -14.059 436 2HG PRO 8 1HG PRO 8 19.569 15.564 -14.701 437 1HD PRO 8 2HD PRO 8 16.920 15.652 -13.990 438 2HD PRO 8 1HD PRO 8 17.677 16.747 -15.167 439 H CYS 9 H CYS 9 17.443 12.856 -14.411 440 HA CYS 9 HA CYS 9 15.966 10.465 -15.447 441 1HB CYS 9 2HB CYS 9 18.487 10.809 -13.873 442 2HB CYS 9 1HB CYS 9 17.473 9.410 -13.514 443 H GLU 10 H GLU 10 14.840 12.825 -14.117 444 HA GLU 10 HA GLU 10 13.444 13.378 -12.293 445 1HB GLU 10 2HB GLU 10 13.256 10.385 -12.645 446 2HB GLU 10 1HB GLU 10 12.263 11.229 -11.456 447 1HG GLU 10 2HG GLU 10 10.818 11.748 -13.099 448 2HG GLU 10 1HG GLU 10 12.079 12.736 -13.839 449 H CYS 11 H CYS 11 16.229 13.186 -11.594 450 HA CYS 11 HA CYS 11 17.018 11.592 -9.485 451 1HB CYS 11 2HB CYS 11 17.429 14.436 -10.292 452 2HB CYS 11 1HB CYS 11 18.026 13.954 -8.701 453 H LYS 12 H LYS 12 14.599 14.139 -9.417 454 HA LYS 12 HA LYS 12 14.134 13.540 -6.512 455 1HB LYS 12 2HB LYS 12 13.914 16.123 -8.089 456 2HB LYS 12 1HB LYS 12 13.374 15.944 -6.419 457 1HG LYS 12 2HG LYS 12 15.492 16.000 -5.606 458 2HG LYS 12 1HG LYS 12 16.108 14.963 -6.893 459 1HD LYS 12 2HD LYS 12 16.677 16.728 -8.227 460 2HD LYS 12 1HD LYS 12 15.287 17.689 -7.722 461 1HE LYS 12 2HE LYS 12 16.466 18.718 -6.062 462 2HE LYS 12 1HE LYS 12 17.256 17.206 -5.573 463 1HZ LYS 12 2HZ LYS 12 18.402 17.431 -7.872 464 2HZ LYS 12 1HZ LYS 12 18.004 19.075 -7.721 465 3HZ LYS 12 3HZ LYS 12 18.991 18.334 -6.558 466 H SER 13 H SER 13 12.878 13.407 -9.649 467 HA SER 13 HA SER 13 10.060 13.886 -8.984 468 1HB SER 13 2HB SER 13 11.738 13.111 -11.322 469 2HB SER 13 1HB SER 13 10.038 12.661 -11.386 470 HG SER 13 HG SER 13 9.954 14.672 -12.111 471 H ILE 14 H ILE 14 12.235 11.143 -9.207 472 HA ILE 14 HA ILE 14 10.138 9.100 -9.062 473 HB ILE 14 HB ILE 14 13.156 9.197 -8.850 474 1HG1 ILE 14 2HG1 ILE 14 11.556 7.752 -10.932 475 2HG1 ILE 14 1HG1 ILE 14 11.725 9.501 -11.041 476 1HG2 ILE 14 2HG2 ILE 14 11.322 6.780 -8.748 477 2HG2 ILE 14 1HG2 ILE 14 13.069 6.699 -8.984 478 3HG2 ILE 14 3HG2 ILE 14 12.411 7.327 -7.472 479 1HD1 ILE 14 3HD1 ILE 14 14.217 9.199 -10.835 480 2HD1 ILE 14 2HD1 ILE 14 13.958 7.459 -10.961 481 3HD1 ILE 14 1HD1 ILE 14 13.530 8.514 -12.307 482 H VAL 15 H VAL 15 12.383 10.743 -6.923 483 HA VAL 15 HA VAL 15 11.644 9.135 -4.570 484 HB VAL 15 HB VAL 15 13.078 11.745 -4.329 485 1HG1 VAL 15 1HG1 VAL 15 13.468 8.911 -3.340 486 2HG1 VAL 15 3HG1 VAL 15 14.630 10.200 -3.026 487 3HG1 VAL 15 2HG1 VAL 15 12.985 10.324 -2.401 488 1HG2 VAL 15 3HG2 VAL 15 14.061 9.435 -6.014 489 2HG2 VAL 15 2HG2 VAL 15 14.112 11.159 -6.381 490 3HG2 VAL 15 1HG2 VAL 15 15.196 10.484 -5.166 491 H LYS 16 H LYS 16 10.613 11.940 -6.253 492 HA LYS 16 HA LYS 16 9.255 13.279 -4.049 493 1HB LYS 16 2HB LYS 16 9.788 14.657 -5.881 494 2HB LYS 16 1HB LYS 16 9.361 13.416 -7.059 495 1HG LYS 16 2HG LYS 16 7.201 14.472 -5.280 496 2HG LYS 16 1HG LYS 16 7.756 15.489 -6.611 497 1HD LYS 16 2HD LYS 16 7.518 13.009 -7.807 498 2HD LYS 16 1HD LYS 16 6.156 13.030 -6.686 499 1HE LYS 16 2HE LYS 16 5.293 15.070 -7.639 500 2HE LYS 16 1HE LYS 16 6.761 15.298 -8.610 501 1HZ LYS 16 3HZ LYS 16 5.356 12.741 -8.829 502 2HZ LYS 16 2HZ LYS 16 4.652 14.086 -9.593 503 3HZ LYS 16 1HZ LYS 16 6.227 13.598 -10.006 504 H PHE 17 H PHE 17 8.419 11.009 -6.644 505 HA PHE 17 HA PHE 17 5.605 10.808 -5.931 506 1HB PHE 17 2HB PHE 17 6.034 10.144 -8.119 507 2HB PHE 17 1HB PHE 17 7.605 9.459 -7.707 508 HD1 PHE 17 HD1 PHE 17 7.783 7.214 -6.717 509 HD2 PHE 17 HD2 PHE 17 3.991 8.837 -7.915 510 HE1 PHE 17 HE1 PHE 17 6.774 4.956 -6.575 511 HE2 PHE 17 HE2 PHE 17 2.981 6.579 -7.773 512 HZ PHE 17 HZ PHE 17 4.372 4.635 -7.104 513 H GLN 18 H GLN 18 8.611 9.251 -4.973 514 HA GLN 18 HA GLN 18 7.618 6.928 -3.671 515 1HB GLN 18 2HB GLN 18 9.988 8.741 -3.451 516 2HB GLN 18 1HB GLN 18 9.741 7.552 -2.171 517 1HG GLN 18 2HG GLN 18 9.450 5.835 -4.072 518 2HG GLN 18 1HG GLN 18 10.158 7.064 -5.119 519 1HE2 GLN 18 2HE2 GLN 18 13.032 6.820 -2.474 520 2HE2 GLN 18 1HE2 GLN 18 11.720 7.895 -2.456 521 H THR 19 H THR 19 8.159 10.214 -2.398 522 HA THR 19 HA THR 19 7.301 9.765 0.277 523 HB THR 19 HB THR 19 7.300 12.125 -1.614 524 HG1 THR 19 HG1 THR 19 9.197 11.054 -0.508 525 1HG2 THR 19 1HG2 THR 19 6.054 11.869 1.068 526 2HG2 THR 19 3HG2 THR 19 7.050 13.300 0.804 527 3HG2 THR 19 2HG2 THR 19 5.673 12.978 -0.249 528 H LYS 20 H LYS 20 5.467 10.337 -2.694 529 HA LYS 20 HA LYS 20 2.903 10.786 -1.440 530 1HB LYS 20 2HB LYS 20 3.871 9.862 -4.157 531 2HB LYS 20 1HB LYS 20 2.153 10.040 -3.800 532 1HG LYS 20 2HG LYS 20 4.197 12.246 -3.428 533 2HG LYS 20 1HG LYS 20 3.169 12.082 -4.851 534 1HD LYS 20 2HD LYS 20 1.335 12.863 -3.763 535 2HD LYS 20 1HD LYS 20 1.703 11.949 -2.301 536 1HE LYS 20 2HE LYS 20 3.604 14.143 -2.823 537 2HE LYS 20 1HE LYS 20 1.943 14.682 -2.505 538 1HZ LYS 20 1HZ LYS 20 1.878 13.241 -0.567 539 2HZ LYS 20 3HZ LYS 20 3.467 12.729 -0.860 540 3HZ LYS 20 2HZ LYS 20 3.163 14.344 -0.433 541 H VAL 21 H VAL 21 4.771 7.988 -2.400 542 HA VAL 21 HA VAL 21 2.639 6.035 -1.931 543 HB VAL 21 HB VAL 21 5.567 6.096 -2.604 544 1HG1 VAL 21 1HG1 VAL 21 4.073 3.810 -1.362 545 2HG1 VAL 21 3HG1 VAL 21 5.284 3.475 -2.598 546 3HG1 VAL 21 2HG1 VAL 21 5.746 4.313 -1.116 547 1HG2 VAL 21 2HG2 VAL 21 2.994 5.397 -3.866 548 2HG2 VAL 21 1HG2 VAL 21 4.484 5.986 -4.602 549 3HG2 VAL 21 3HG2 VAL 21 4.305 4.273 -4.221 550 H GLU 22 H GLU 22 5.003 7.741 -0.070 551 HA GLU 22 HA GLU 22 5.242 5.865 2.130 552 1HB GLU 22 2HB GLU 22 5.937 8.696 1.463 553 2HB GLU 22 1HB GLU 22 5.946 8.243 3.167 554 1HG GLU 22 2HG GLU 22 7.347 6.196 2.392 555 2HG GLU 22 1HG GLU 22 7.612 7.128 0.918 556 H GLU 23 H GLU 23 3.354 8.863 1.622 557 HA GLU 23 HA GLU 23 1.918 8.600 4.149 558 1HB GLU 23 2HB GLU 23 1.188 10.249 1.718 559 2HB GLU 23 1HB GLU 23 0.847 10.611 3.411 560 1HG GLU 23 2HG GLU 23 3.517 10.445 3.572 561 2HG GLU 23 1HG GLU 23 3.385 10.926 1.879 562 H LEU 24 H LEU 24 1.259 7.836 0.741 563 HA LEU 24 HA LEU 24 -1.522 7.199 1.045 564 1HB LEU 24 2HB LEU 24 0.056 7.557 -1.033 565 2HB LEU 24 1HB LEU 24 0.328 5.820 -0.889 566 HG LEU 24 HG LEU 24 -2.090 5.413 -1.024 567 1HD1 LEU 24 3HD1 LEU 24 -2.144 8.403 -0.887 568 2HD1 LEU 24 2HD1 LEU 24 -3.389 7.587 -1.833 569 3HD1 LEU 24 1HD1 LEU 24 -3.208 7.225 -0.118 570 1HD2 LEU 24 2HD2 LEU 24 -0.733 7.030 -3.168 571 2HD2 LEU 24 1HD2 LEU 24 -1.155 5.318 -3.167 572 3HD2 LEU 24 3HD2 LEU 24 -2.412 6.535 -3.382 573 H ILE 25 H ILE 25 1.407 5.136 1.103 574 HA ILE 25 HA ILE 25 0.076 2.665 1.600 575 HB ILE 25 HB ILE 25 2.580 3.415 1.062 576 1HG1 ILE 25 2HG1 ILE 25 2.685 1.004 2.703 577 2HG1 ILE 25 1HG1 ILE 25 1.290 1.027 1.622 578 1HG2 ILE 25 3HG2 ILE 25 2.932 4.457 3.285 579 2HG2 ILE 25 2HG2 ILE 25 2.656 2.890 4.045 580 3HG2 ILE 25 1HG2 ILE 25 4.053 3.128 2.995 581 1HD1 ILE 25 2HD1 ILE 25 3.208 1.940 -0.065 582 2HD1 ILE 25 1HD1 ILE 25 4.181 0.896 0.971 583 3HD1 ILE 25 3HD1 ILE 25 2.799 0.233 0.100 584 H ASN 26 H ASN 26 1.300 5.160 3.843 585 HA ASN 26 HA ASN 26 0.778 3.801 6.292 586 1HB ASN 26 2HB ASN 26 1.955 6.068 5.663 587 2HB ASN 26 1HB ASN 26 0.348 6.755 5.897 588 1HD2 ASN 26 2HD2 ASN 26 2.422 5.338 9.139 589 2HD2 ASN 26 1HD2 ASN 26 2.936 4.940 7.571 590 H THR 27 H THR 27 -1.276 5.867 4.274 591 HA THR 27 HA THR 27 -3.595 5.915 5.948 592 HB THR 27 HB THR 27 -3.039 6.169 2.989 593 HG1 THR 27 HG1 THR 27 -4.067 8.331 4.022 594 1HG2 THR 27 2HG2 THR 27 -5.621 5.845 4.359 595 2HG2 THR 27 1HG2 THR 27 -5.523 7.303 3.371 596 3HG2 THR 27 3HG2 THR 27 -5.236 5.723 2.642 597 H LEU 28 H LEU 28 -2.398 3.567 3.588 598 HA LEU 28 HA LEU 28 -4.819 1.997 3.415 599 1HB LEU 28 2HB LEU 28 -1.887 1.645 2.816 600 2HB LEU 28 1HB LEU 28 -2.964 0.252 2.710 601 HG LEU 28 HG LEU 28 -4.055 2.647 1.417 602 1HD1 LEU 28 3HD1 LEU 28 -1.350 1.579 0.669 603 2HD1 LEU 28 2HD1 LEU 28 -2.440 2.122 -0.606 604 3HD1 LEU 28 1HD1 LEU 28 -1.932 3.243 0.657 605 1HD2 LEU 28 3HD2 LEU 28 -4.425 -0.080 1.320 606 2HD2 LEU 28 2HD2 LEU 28 -5.022 1.055 0.110 607 3HD2 LEU 28 1HD2 LEU 28 -3.494 0.213 -0.148 608 H GLN 29 H GLN 29 -1.860 1.746 5.385 609 HA GLN 29 HA GLN 29 -2.690 -0.601 6.854 610 1HB GLN 29 2HB GLN 29 -0.381 0.648 6.439 611 2HB GLN 29 1HB GLN 29 -0.828 1.499 7.917 612 1HG GLN 29 2HG GLN 29 -1.199 -0.753 9.004 613 2HG GLN 29 1HG GLN 29 -0.505 -1.492 7.560 614 1HE2 GLN 29 2HE2 GLN 29 2.540 -1.222 9.420 615 2HE2 GLN 29 1HE2 GLN 29 1.292 -2.285 8.979 616 H GLN 30 H GLN 30 -3.586 2.694 6.920 617 HA GLN 30 HA GLN 30 -4.339 2.844 9.746 618 1HB GLN 30 2HB GLN 30 -4.752 4.517 7.258 619 2HB GLN 30 1HB GLN 30 -5.453 4.975 8.808 620 1HG GLN 30 2HG GLN 30 -2.700 4.250 9.193 621 2HG GLN 30 1HG GLN 30 -2.811 5.447 7.904 622 1HE2 GLN 30 2HE2 GLN 30 -3.633 6.529 11.742 623 2HE2 GLN 30 1HE2 GLN 30 -3.286 4.914 11.349 624 H LYS 31 H LYS 31 -6.110 2.702 6.633 625 HA LYS 31 HA LYS 31 -8.709 2.320 7.833 626 1HB LYS 31 2HB LYS 31 -7.404 2.133 5.156 627 2HB LYS 31 1HB LYS 31 -8.930 1.268 5.347 628 1HG LYS 31 2HG LYS 31 -9.993 3.344 6.183 629 2HG LYS 31 1HG LYS 31 -8.472 4.206 5.947 630 1HD LYS 31 2HD LYS 31 -8.594 3.410 3.504 631 2HD LYS 31 1HD LYS 31 -10.272 2.992 3.847 632 1HE LYS 31 2HE LYS 31 -9.027 5.750 4.158 633 2HE LYS 31 1HE LYS 31 -10.198 5.259 2.918 634 1HZ LYS 31 3HZ LYS 31 -11.408 4.408 5.138 635 2HZ LYS 31 2HZ LYS 31 -10.610 5.780 5.745 636 3HZ LYS 31 1HZ LYS 31 -11.694 5.930 4.444 637 H LEU 32 H LEU 32 -5.985 0.288 7.305 638 HA LEU 32 HA LEU 32 -7.418 -2.265 7.288 639 1HB LEU 32 2HB LEU 32 -5.104 -1.558 6.309 640 2HB LEU 32 1HB LEU 32 -4.514 -1.788 7.955 641 HG LEU 32 HG LEU 32 -5.292 -4.099 7.956 642 1HD1 LEU 32 3HD1 LEU 32 -6.505 -3.250 5.336 643 2HD1 LEU 32 2HD1 LEU 32 -6.096 -4.944 5.610 644 3HD1 LEU 32 1HD1 LEU 32 -7.251 -4.133 6.669 645 1HD2 LEU 32 1HD2 LEU 32 -3.637 -3.201 5.594 646 2HD2 LEU 32 3HD2 LEU 32 -3.086 -3.918 7.108 647 3HD2 LEU 32 2HD2 LEU 32 -3.922 -4.912 5.914 648 H GLU 33 H GLU 33 -5.393 -0.467 9.633 649 HA GLU 33 HA GLU 33 -5.759 -2.334 11.800 650 1HB GLU 33 2HB GLU 33 -3.907 -0.748 11.687 651 2HB GLU 33 1HB GLU 33 -5.032 0.612 11.671 652 1HG GLU 33 2HG GLU 33 -5.230 0.581 13.917 653 2HG GLU 33 1HG GLU 33 -5.528 -1.158 13.929 654 H ALA 34 H ALA 34 -7.771 0.073 10.397 655 HA ALA 34 HA ALA 34 -9.450 0.424 12.808 656 1HB ALA 34 2HB ALA 34 -8.852 2.206 11.047 657 2HB ALA 34 1HB ALA 34 -9.940 1.343 9.960 658 3HB ALA 34 3HB ALA 34 -10.564 2.062 11.444 659 H VAL 35 H VAL 35 -9.396 -1.181 9.684 660 HA VAL 35 HA VAL 35 -12.073 -2.185 9.626 661 HB VAL 35 HB VAL 35 -9.430 -2.663 8.361 662 1HG1 VAL 35 3HG1 VAL 35 -10.101 -4.968 9.055 663 2HG1 VAL 35 2HG1 VAL 35 -11.605 -4.761 8.156 664 3HG1 VAL 35 1HG1 VAL 35 -10.060 -4.755 7.306 665 1HG2 VAL 35 2HG2 VAL 35 -12.279 -2.522 7.332 666 2HG2 VAL 35 1HG2 VAL 35 -11.121 -1.192 7.367 667 3HG2 VAL 35 3HG2 VAL 35 -10.836 -2.581 6.318 668 H ALA 36 H ALA 36 -9.053 -3.404 11.076 669 HA ALA 36 HA ALA 36 -10.137 -5.938 11.954 670 1HB ALA 36 3HB ALA 36 -7.675 -4.806 11.744 671 2HB ALA 36 2HB ALA 36 -7.957 -4.595 13.472 672 3HB ALA 36 1HB ALA 36 -7.996 -6.209 12.764 673 H LYS 37 H LYS 37 -10.088 -2.667 13.229 674 HA LYS 37 HA LYS 37 -10.911 -3.362 15.933 675 1HB LYS 37 2HB LYS 37 -10.364 -1.009 14.259 676 2HB LYS 37 1HB LYS 37 -11.681 -0.738 15.400 677 1HG LYS 37 2HG LYS 37 -10.307 -0.854 17.218 678 2HG LYS 37 1HG LYS 37 -9.310 -2.124 16.509 679 1HD LYS 37 2HD LYS 37 -7.763 -0.593 15.942 680 2HD LYS 37 1HD LYS 37 -8.956 0.240 14.944 681 1HE LYS 37 2HE LYS 37 -9.534 1.739 16.654 682 2HE LYS 37 1HE LYS 37 -8.956 0.653 17.931 683 1HZ LYS 37 3HZ LYS 37 -6.753 0.974 16.427 684 2HZ LYS 37 2HZ LYS 37 -7.467 2.510 16.286 685 3HZ LYS 37 1HZ LYS 37 -7.094 1.878 17.819 686 H ARG 38 H ARG 38 -12.529 -2.789 12.883 687 HA ARG 38 HA ARG 38 -15.195 -2.510 14.058 688 1HB ARG 38 2HB ARG 38 -14.429 -3.159 11.199 689 2HB ARG 38 1HB ARG 38 -15.847 -2.278 11.767 690 1HG ARG 38 2HG ARG 38 -13.598 -0.897 12.787 691 2HG ARG 38 1HG ARG 38 -13.240 -1.247 11.096 692 1HD ARG 38 2HD ARG 38 -15.738 -0.424 10.731 693 2HD ARG 38 1HD ARG 38 -15.431 0.436 12.254 694 HE ARG 38 HE ARG 38 -13.217 0.687 10.389 695 1HH1 ARG 38 2HH1 ARG 38 -16.287 1.897 11.404 696 2HH1 ARG 38 1HH1 ARG 38 -16.056 3.452 10.680 697 1HH2 ARG 38 1HH2 ARG 38 -12.930 2.683 9.390 698 2HH2 ARG 38 2HH2 ARG 38 -14.155 3.898 9.540 699 H ILE 39 H ILE 39 -13.161 -5.002 12.626 700 HA ILE 39 HA ILE 39 -15.118 -7.067 12.341 701 HB ILE 39 HB ILE 39 -12.127 -6.920 12.725 702 1HG1 ILE 39 2HG1 ILE 39 -13.409 -6.336 10.550 703 2HG1 ILE 39 1HG1 ILE 39 -12.041 -7.438 10.417 704 1HG2 ILE 39 2HG2 ILE 39 -13.877 -9.259 13.073 705 2HG2 ILE 39 1HG2 ILE 39 -12.601 -9.502 11.881 706 3HG2 ILE 39 3HG2 ILE 39 -12.189 -9.041 13.532 707 1HD1 ILE 39 2HD1 ILE 39 -14.616 -8.750 11.001 708 2HD1 ILE 39 1HD1 ILE 39 -14.535 -7.967 9.427 709 3HD1 ILE 39 3HD1 ILE 39 -13.358 -9.205 9.856 710 H GLU 40 H GLU 40 -12.904 -6.235 15.021 711 HA GLU 40 HA GLU 40 -13.757 -8.310 16.804 712 1HB GLU 40 2HB GLU 40 -12.755 -6.795 18.516 713 2HB GLU 40 1HB GLU 40 -11.720 -6.951 17.096 714 1HG GLU 40 2HG GLU 40 -12.404 -4.823 16.249 715 2HG GLU 40 1HG GLU 40 -13.720 -4.707 17.417 716 H ALA 41 H ALA 41 -14.999 -5.114 16.002 717 HA ALA 41 HA ALA 41 -16.893 -4.776 18.105 718 1HB ALA 41 1HB ALA 41 -16.083 -3.340 15.987 719 2HB ALA 41 3HB ALA 41 -17.556 -4.012 15.288 720 3HB ALA 41 2HB ALA 41 -17.641 -3.037 16.755 721 H LEU 42 H LEU 42 -17.054 -6.540 15.039 722 HA LEU 42 HA LEU 42 -19.823 -7.386 15.411 723 1HB LEU 42 2HB LEU 42 -17.532 -8.147 13.582 724 2HB LEU 42 1HB LEU 42 -19.091 -8.947 13.491 725 HG LEU 42 HG LEU 42 -19.537 -7.320 11.958 726 1HD1 LEU 42 3HD1 LEU 42 -20.890 -6.734 14.069 727 2HD1 LEU 42 2HD1 LEU 42 -19.744 -5.414 14.289 728 3HD1 LEU 42 1HD1 LEU 42 -20.742 -5.484 12.838 729 1HD2 LEU 42 1HD2 LEU 42 -17.027 -6.493 12.640 730 2HD2 LEU 42 3HD2 LEU 42 -18.047 -5.695 11.443 731 3HD2 LEU 42 2HD2 LEU 42 -17.991 -5.089 13.098 732 H GLU 43 H GLU 43 -16.633 -8.585 16.242 733 HA GLU 43 HA GLU 43 -17.386 -11.322 16.798 734 1HB GLU 43 2HB GLU 43 -15.165 -9.529 17.828 735 2HB GLU 43 1HB GLU 43 -15.191 -11.289 17.968 736 1HG GLU 43 2HG GLU 43 -15.731 -10.847 15.288 737 2HG GLU 43 1HG GLU 43 -14.523 -9.621 15.669 738 H ASN 44 H ASN 44 -17.916 -8.338 18.394 739 HA ASN 44 HA ASN 44 -18.072 -9.329 21.124 740 1HB ASN 44 2HB ASN 44 -19.086 -6.885 19.642 741 2HB ASN 44 1HB ASN 44 -19.306 -7.102 21.378 742 1HD2 ASN 44 1HD2 ASN 44 -17.097 -7.751 22.537 743 2HD2 ASN 44 2HD2 ASN 44 -15.736 -6.863 22.046 744 H LYS 45 H LYS 45 -20.178 -9.238 18.355 745 HA LYS 45 HA LYS 45 -22.476 -10.184 20.034 746 1HB LYS 45 2HB LYS 45 -22.231 -8.768 17.369 747 2HB LYS 45 1HB LYS 45 -23.748 -9.489 17.909 748 1HG LYS 45 2HG LYS 45 -23.696 -7.118 18.521 749 2HG LYS 45 1HG LYS 45 -23.641 -8.113 19.977 750 1HD LYS 45 2HD LYS 45 -21.481 -7.523 20.465 751 2HD LYS 45 1HD LYS 45 -21.021 -7.398 18.766 752 1HE LYS 45 2HE LYS 45 -21.091 -5.141 19.165 753 2HE LYS 45 1HE LYS 45 -22.846 -5.349 18.992 754 1HZ LYS 45 3HZ LYS 45 -21.422 -5.818 21.548 755 2HZ LYS 45 2HZ LYS 45 -22.087 -4.307 21.142 756 3HZ LYS 45 1HZ LYS 45 -23.093 -5.667 21.301 757 H ILE 46 H ILE 46 -20.118 -11.153 17.752 758 HA ILE 46 HA ILE 46 -21.764 -13.447 16.783 759 HB ILE 46 HB ILE 46 -19.073 -12.271 16.006 760 1HG1 ILE 46 2HG1 ILE 46 -20.735 -10.878 15.085 761 2HG1 ILE 46 1HG1 ILE 46 -20.422 -12.023 13.786 762 1HG2 ILE 46 2HG2 ILE 46 -20.286 -14.886 15.445 763 2HG2 ILE 46 1HG2 ILE 46 -19.804 -14.006 13.995 764 3HG2 ILE 46 3HG2 ILE 46 -18.616 -14.355 15.251 765 1HD1 ILE 46 2HD1 ILE 46 -22.336 -13.425 14.805 766 2HD1 ILE 46 1HD1 ILE 46 -22.759 -11.961 15.693 767 3HD1 ILE 46 3HD1 ILE 46 -22.780 -11.962 13.930 768 H ILE 47 HN ILE 47 -19.298 -12.610 19.042 769 HA ILE 47 HA ILE 47 -17.759 -14.968 19.254 770 HB ILE 47 HB ILE 47 -17.242 -12.960 20.489 771 1HG1 ILE 47 2HG1 ILE 47 -18.197 -14.858 22.632 772 2HG1 ILE 47 1HG1 ILE 47 -16.874 -15.306 21.555 773 1HG2 ILE 47 1HG2 ILE 47 -20.056 -12.967 20.968 774 2HG2 ILE 47 3HG2 ILE 47 -19.246 -12.971 22.534 775 3HG2 ILE 47 2HG2 ILE 47 -18.891 -11.702 21.361 776 1HD1 ILE 47 2HD1 ILE 47 -16.246 -12.706 22.352 777 2HD1 ILE 47 1HD1 ILE 47 -16.869 -13.465 23.816 778 3HD1 ILE 47 3HD1 ILE 47 -15.507 -14.187 22.960 779 1H GLY 1 3H GLY 1 22.870 12.383 11.735 780 2H GLY 1 2H GLY 1 22.781 13.640 12.875 781 3H GLY 1 1H GLY 1 21.662 13.565 11.598 782 1HA GLY 1 2HA GLY 1 23.078 15.163 10.814 783 2HA GLY 1 1HA GLY 1 24.480 14.393 11.560 784 H SER 2 H SER 2 23.861 15.174 8.684 785 HA SER 2 HA SER 2 24.627 12.539 7.493 786 1HB SER 2 2HB SER 2 22.953 12.735 5.836 787 2HB SER 2 1HB SER 2 22.133 13.258 7.305 788 HG SER 2 HG SER 2 23.175 14.797 5.179 789 H HIS 3 H HIS 3 26.041 12.740 5.686 790 HA HIS 3 HA HIS 3 27.765 15.017 5.593 791 1HB HIS 3 2HB HIS 3 27.191 12.792 3.609 792 2HB HIS 3 1HB HIS 3 28.589 13.864 3.525 793 HD1 HIS 3 HD1 HIS 3 30.039 11.621 3.880 794 HD2 HIS 3 HD2 HIS 3 27.704 12.788 7.131 795 HE1 HIS 3 HE1 HIS 3 30.919 10.352 5.887 796 H MET 4 H MET 4 28.104 16.280 3.452 797 HA MET 4 HA MET 4 25.480 16.919 2.154 798 1HB MET 4 2HB MET 4 27.543 18.741 3.417 799 2HB MET 4 1HB MET 4 26.300 19.338 2.316 800 1HG MET 4 2HG MET 4 24.788 17.834 4.012 801 2HG MET 4 1HG MET 4 26.048 18.399 5.110 802 1HE MET 4 3HE MET 4 23.770 19.337 6.252 803 2HE MET 4 2HE MET 4 22.790 20.631 5.567 804 3HE MET 4 1HE MET 4 22.753 19.029 4.837 805 H GLU 5 H GLU 5 27.477 15.252 1.009 806 HA GLU 5 HA GLU 5 28.157 16.843 -1.385 807 1HB GLU 5 2HB GLU 5 30.098 15.805 0.657 808 2HB GLU 5 1HB GLU 5 30.590 15.861 -1.037 809 1HG GLU 5 2HG GLU 5 29.664 18.304 -0.965 810 2HG GLU 5 1HG GLU 5 29.831 18.133 0.782 811 H GLU 6 H GLU 6 28.459 13.720 0.319 812 HA GLU 6 HA GLU 6 28.880 12.165 -2.093 813 1HB GLU 6 2HB GLU 6 28.518 11.795 0.805 814 2HB GLU 6 1HB GLU 6 27.877 10.464 -0.159 815 1HG GLU 6 2HG GLU 6 30.296 11.001 -1.391 816 2HG GLU 6 1HG GLU 6 30.664 11.246 0.316 817 H ASP 7 H ASP 7 27.144 10.208 -2.322 818 HA ASP 7 HA ASP 7 25.009 9.667 -3.180 819 1HB ASP 7 2HB ASP 7 24.567 9.865 -0.759 820 2HB ASP 7 1HB ASP 7 24.288 11.597 -0.948 821 HA PRO 8 HA PRO 8 24.778 13.444 -5.725 822 1HB PRO 8 2HB PRO 8 24.496 12.099 -8.092 823 2HB PRO 8 1HB PRO 8 26.072 12.432 -7.349 824 1HG PRO 8 2HG PRO 8 24.493 9.916 -7.384 825 2HG PRO 8 1HG PRO 8 26.244 10.153 -7.451 826 1HD PRO 8 2HD PRO 8 24.869 9.393 -5.196 827 2HD PRO 8 1HD PRO 8 26.452 10.201 -5.184 828 H CYS 9 H CYS 9 22.884 10.611 -6.847 829 HA CYS 9 HA CYS 9 20.395 12.235 -6.464 830 1HB CYS 9 2HB CYS 9 21.535 10.713 -8.775 831 2HB CYS 9 1HB CYS 9 19.780 10.722 -8.579 832 H GLU 10 H GLU 10 21.524 10.280 -4.616 833 HA GLU 10 HA GLU 10 20.932 8.308 -3.453 834 1HB GLU 10 2HB GLU 10 18.361 9.467 -4.543 835 2HB GLU 10 1HB GLU 10 18.363 8.071 -3.465 836 1HG GLU 10 2HG GLU 10 18.453 9.516 -1.740 837 2HG GLU 10 1HG GLU 10 20.099 9.895 -2.247 838 H CYS 11 H CYS 11 21.901 7.788 -6.110 839 HA CYS 11 HA CYS 11 20.395 6.260 -7.846 840 1HB CYS 11 2HB CYS 11 23.202 6.226 -6.842 841 2HB CYS 11 1HB CYS 11 22.685 4.856 -7.831 842 H LYS 12 H LYS 12 21.450 5.379 -4.611 843 HA LYS 12 HA LYS 12 20.027 2.754 -4.926 844 1HB LYS 12 2HB LYS 12 22.482 3.558 -3.337 845 2HB LYS 12 1HB LYS 12 21.679 1.996 -3.164 846 1HG LYS 12 2HG LYS 12 22.569 1.207 -5.087 847 2HG LYS 12 1HG LYS 12 22.209 2.698 -5.958 848 1HD LYS 12 2HD LYS 12 24.268 3.599 -5.539 849 2HD LYS 12 1HD LYS 12 24.371 2.874 -3.934 850 1HE LYS 12 2HE LYS 12 25.398 0.982 -4.720 851 2HE LYS 12 1HE LYS 12 24.420 0.954 -6.200 852 1HZ LYS 12 2HZ LYS 12 25.691 3.121 -6.729 853 2HZ LYS 12 1HZ LYS 12 26.829 2.544 -5.605 854 3HZ LYS 12 3HZ LYS 12 26.468 1.633 -6.989 855 H SER 13 H SER 13 20.088 5.760 -3.345 856 HA SER 13 HA SER 13 18.976 4.883 -0.779 857 1HB SER 13 2HB SER 13 19.686 7.408 -2.198 858 2HB SER 13 1HB SER 13 18.522 7.534 -0.882 859 HG SER 13 HG SER 13 20.318 7.574 0.252 860 H ILE 14 H ILE 14 17.746 5.940 -3.883 861 HA ILE 14 HA ILE 14 14.987 6.352 -2.970 862 HB ILE 14 HB ILE 14 16.450 6.217 -5.616 863 1HG1 ILE 14 2HG1 ILE 14 14.959 8.560 -4.485 864 2HG1 ILE 14 1HG1 ILE 14 16.567 8.179 -3.881 865 1HG2 ILE 14 2HG2 ILE 14 13.508 6.757 -5.107 866 2HG2 ILE 14 1HG2 ILE 14 14.328 7.040 -6.642 867 3HG2 ILE 14 3HG2 ILE 14 14.182 5.400 -6.011 868 1HD1 ILE 14 3HD1 ILE 14 17.365 8.152 -6.279 869 2HD1 ILE 14 2HD1 ILE 14 15.787 8.791 -6.741 870 3HD1 ILE 14 1HD1 ILE 14 16.850 9.735 -5.697 871 H VAL 15 H VAL 15 16.915 3.897 -4.576 872 HA VAL 15 HA VAL 15 14.625 2.101 -5.013 873 HB VAL 15 HB VAL 15 17.452 1.147 -5.183 874 1HG1 VAL 15 1HG1 VAL 15 14.991 1.064 -6.949 875 2HG1 VAL 15 3HG1 VAL 15 16.550 0.403 -7.440 876 3HG1 VAL 15 2HG1 VAL 15 15.708 -0.268 -6.043 877 1HG2 VAL 15 3HG2 VAL 15 16.367 3.489 -6.753 878 2HG2 VAL 15 2HG2 VAL 15 17.961 3.296 -6.022 879 3HG2 VAL 15 1HG2 VAL 15 17.546 2.396 -7.480 880 H LYS 16 H LYS 16 16.937 2.864 -2.598 881 HA LYS 16 HA LYS 16 16.920 0.338 -1.150 882 1HB LYS 16 2HB LYS 16 18.755 1.747 -0.712 883 2HB LYS 16 1HB LYS 16 17.756 3.199 -0.705 884 1HG LYS 16 2HG LYS 16 17.260 1.120 1.389 885 2HG LYS 16 1HG LYS 16 18.665 2.172 1.564 886 1HD LYS 16 2HD LYS 16 16.663 3.941 0.847 887 2HD LYS 16 1HD LYS 16 15.819 2.798 1.891 888 1HE LYS 16 2HE LYS 16 17.357 3.188 3.706 889 2HE LYS 16 1HE LYS 16 18.444 4.119 2.655 890 1HZ LYS 16 3HZ LYS 16 15.631 4.919 2.789 891 2HZ LYS 16 2HZ LYS 16 16.625 5.314 4.109 892 3HZ LYS 16 1HZ LYS 16 17.013 5.873 2.553 893 H PHE 17 H PHE 17 15.206 3.446 -0.982 894 HA PHE 17 HA PHE 17 13.523 2.720 1.271 895 1HB PHE 17 2HB PHE 17 13.682 5.017 0.934 896 2HB PHE 17 1HB PHE 17 13.728 4.858 -0.820 897 HD1 PHE 17 HD1 PHE 17 11.645 4.517 -2.110 898 HD2 PHE 17 HD2 PHE 17 11.589 5.155 2.136 899 HE1 PHE 17 HE1 PHE 17 9.216 4.995 -2.217 900 HE2 PHE 17 HE2 PHE 17 9.160 5.634 2.032 901 HZ PHE 17 HZ PHE 17 7.971 5.556 -0.143 902 H GLN 18 H GLN 18 13.389 2.356 -2.231 903 HA GLN 18 HA GLN 18 10.651 1.713 -2.603 904 1HB GLN 18 2HB GLN 18 13.266 1.052 -3.905 905 2HB GLN 18 1HB GLN 18 11.833 0.170 -4.434 906 1HG GLN 18 2HG GLN 18 10.710 2.489 -4.627 907 2HG GLN 18 1HG GLN 18 12.346 3.140 -4.541 908 1HE2 GLN 18 2HE2 GLN 18 12.860 0.776 -7.602 909 2HE2 GLN 18 1HE2 GLN 18 13.175 0.435 -5.971 910 H THR 19 H THR 19 13.392 -0.421 -1.797 911 HA THR 19 HA THR 19 11.966 -2.881 -1.656 912 HB THR 19 HB THR 19 14.415 -1.733 -0.301 913 HG1 THR 19 HG1 THR 19 14.117 -2.482 -2.632 914 1HG2 THR 19 1HG2 THR 19 12.929 -4.187 0.350 915 2HG2 THR 19 3HG2 THR 19 14.638 -4.452 0.005 916 3HG2 THR 19 2HG2 THR 19 14.160 -3.334 1.282 917 H LYS 20 H LYS 20 12.304 -0.235 0.672 918 HA LYS 20 HA LYS 20 11.164 -1.620 2.940 919 1HB LYS 20 2HB LYS 20 11.516 1.273 2.108 920 2HB LYS 20 1HB LYS 20 10.792 0.831 3.654 921 1HG LYS 20 2HG LYS 20 13.504 -0.155 2.736 922 2HG LYS 20 1HG LYS 20 13.277 1.262 3.761 923 1HD LYS 20 2HD LYS 20 12.827 0.008 5.598 924 2HD LYS 20 1HD LYS 20 11.821 -1.122 4.690 925 1HE LYS 20 2HE LYS 20 14.698 -1.275 4.027 926 2HE LYS 20 1HE LYS 20 14.294 -1.759 5.686 927 1HZ LYS 20 1HZ LYS 20 12.496 -3.134 4.781 928 2HZ LYS 20 3HZ LYS 20 12.975 -2.730 3.206 929 3HZ LYS 20 2HZ LYS 20 14.014 -3.631 4.203 930 H VAL 21 H VAL 21 9.912 0.124 0.186 931 HA VAL 21 HA VAL 21 7.137 0.217 1.141 932 HB VAL 21 HB VAL 21 8.739 0.925 -1.300 933 1HG1 VAL 21 1HG1 VAL 21 5.802 0.341 -1.214 934 2HG1 VAL 21 3HG1 VAL 21 6.370 1.688 -2.201 935 3HG1 VAL 21 2HG1 VAL 21 6.962 0.056 -2.512 936 1HG2 VAL 21 2HG2 VAL 21 7.174 2.266 0.833 937 2HG2 VAL 21 1HG2 VAL 21 8.635 2.802 0.002 938 3HG2 VAL 21 3HG2 VAL 21 7.061 2.994 -0.770 939 H GLU 22 H GLU 22 9.239 -2.001 -0.469 940 HA GLU 22 HA GLU 22 7.224 -3.549 -1.879 941 1HB GLU 22 2HB GLU 22 10.112 -3.768 -1.089 942 2HB GLU 22 1HB GLU 22 9.292 -5.206 -1.694 943 1HG GLU 22 2HG GLU 22 8.475 -3.554 -3.591 944 2HG GLU 22 1HG GLU 22 9.902 -2.636 -3.108 945 H GLU 23 H GLU 23 9.011 -3.983 1.191 946 HA GLU 23 HA GLU 23 7.526 -6.387 1.916 947 1HB GLU 23 2HB GLU 23 9.155 -4.551 3.692 948 2HB GLU 23 1HB GLU 23 8.906 -6.288 3.874 949 1HG GLU 23 2HG GLU 23 9.983 -6.320 1.428 950 2HG GLU 23 1HG GLU 23 10.708 -4.817 2.001 951 H LEU 24 H LEU 24 7.323 -2.926 2.693 952 HA LEU 24 HA LEU 24 5.393 -3.153 4.812 953 1HB LEU 24 2HB LEU 24 6.926 -1.196 3.908 954 2HB LEU 24 1HB LEU 24 5.517 -0.830 2.911 955 HG LEU 24 HG LEU 24 4.106 -0.691 4.911 956 1HD1 LEU 24 3HD1 LEU 24 6.593 -1.747 6.177 957 2HD1 LEU 24 2HD1 LEU 24 5.625 -0.612 7.118 958 3HD1 LEU 24 1HD1 LEU 24 4.907 -2.115 6.538 959 1HD2 LEU 24 2HD2 LEU 24 6.626 0.941 4.760 960 2HD2 LEU 24 1HD2 LEU 24 4.964 1.428 4.423 961 3HD2 LEU 24 3HD2 LEU 24 5.499 1.209 6.090 962 H ILE 25 H ILE 25 5.026 -2.513 1.306 963 HA ILE 25 HA ILE 25 2.185 -2.329 1.264 964 HB ILE 25 HB ILE 25 4.158 -1.963 -0.496 965 1HG1 ILE 25 2HG1 ILE 25 1.826 -2.829 -1.997 966 2HG1 ILE 25 1HG1 ILE 25 1.371 -1.900 -0.567 967 1HG2 ILE 25 3HG2 ILE 25 4.702 -4.364 -0.689 968 2HG2 ILE 25 2HG2 ILE 25 3.065 -4.685 -1.255 969 3HG2 ILE 25 1HG2 ILE 25 4.160 -3.703 -2.229 970 1HD1 ILE 25 2HD1 ILE 25 3.606 -0.574 -1.667 971 2HD1 ILE 25 1HD1 ILE 25 2.555 -0.961 -3.030 972 3HD1 ILE 25 3HD1 ILE 25 1.931 -0.026 -1.672 973 H ASN 26 H ASN 26 4.367 -5.137 1.005 974 HA ASN 26 HA ASN 26 2.402 -7.133 0.460 975 1HB ASN 26 2HB ASN 26 5.031 -7.124 0.552 976 2HB ASN 26 1HB ASN 26 4.791 -7.570 2.241 977 1HD2 ASN 26 2HD2 ASN 26 3.760 -10.242 -0.703 978 2HD2 ASN 26 1HD2 ASN 26 3.973 -8.605 -1.098 979 H THR 27 H THR 27 3.667 -5.862 3.524 980 HA THR 27 HA THR 27 2.194 -7.521 5.316 981 HB THR 27 HB THR 27 3.340 -4.724 5.411 982 HG1 THR 27 HG1 THR 27 4.226 -6.838 6.977 983 1HG2 THR 27 2HG2 THR 27 1.556 -6.066 7.312 984 2HG2 THR 27 1HG2 THR 27 3.080 -5.554 8.037 985 3HG2 THR 27 3HG2 THR 27 2.045 -4.373 7.234 986 H LEU 28 H LEU 28 1.314 -4.583 3.554 987 HA LEU 28 HA LEU 28 -1.129 -4.034 5.006 988 1HB LEU 28 2HB LEU 28 0.124 -3.283 2.372 989 2HB LEU 28 1HB LEU 28 -1.546 -2.817 2.698 990 HG LEU 28 HG LEU 28 0.266 -2.288 4.946 991 1HD1 LEU 28 3HD1 LEU 28 0.839 -1.220 2.207 992 2HD1 LEU 28 2HD1 LEU 28 1.023 -0.134 3.585 993 3HD1 LEU 28 1HD1 LEU 28 1.960 -1.626 3.506 994 1HD2 LEU 28 3HD2 LEU 28 -2.201 -1.432 4.015 995 2HD2 LEU 28 2HD2 LEU 28 -1.276 -0.671 5.309 996 3HD2 LEU 28 1HD2 LEU 28 -1.147 -0.063 3.660 997 H GLN 29 H GLN 29 -0.380 -5.790 1.998 998 HA GLN 29 HA GLN 29 -3.114 -6.555 1.430 999 1HB GLN 29 2HB GLN 29 -0.864 -6.441 0.025 1000 2HB GLN 29 1HB GLN 29 -0.692 -8.107 0.573 1001 1HG GLN 29 2HG GLN 29 -2.994 -8.578 -0.303 1002 2HG GLN 29 1HG GLN 29 -3.030 -6.945 -0.968 1003 1HE2 GLN 29 2HE2 GLN 29 -1.698 -8.451 -3.902 1004 2HE2 GLN 29 1HE2 GLN 29 -3.075 -7.757 -3.194 1005 H GLN 30 H GLN 30 -0.782 -7.553 3.709 1006 HA GLN 30 HA GLN 30 -1.661 -10.334 3.987 1007 1HB GLN 30 2HB GLN 30 0.135 -8.418 5.491 1008 2HB GLN 30 1HB GLN 30 -0.166 -10.056 6.070 1009 1HG GLN 30 2HG GLN 30 0.441 -10.145 3.264 1010 2HG GLN 30 1HG GLN 30 1.701 -9.241 4.102 1011 1HE2 GLN 30 2HE2 GLN 30 1.297 -13.245 4.774 1012 2HE2 GLN 30 1HE2 GLN 30 0.153 -12.409 3.838 1013 H LYS 31 H LYS 31 -1.889 -7.357 5.967 1014 HA LYS 31 HA LYS 31 -3.728 -8.469 7.896 1015 1HB LYS 31 2HB LYS 31 -2.628 -5.819 7.085 1016 2HB LYS 31 1HB LYS 31 -4.129 -5.790 8.011 1017 1HG LYS 31 2HG LYS 31 -3.084 -7.189 9.756 1018 2HG LYS 31 1HG LYS 31 -1.581 -7.217 8.834 1019 1HD LYS 31 2HD LYS 31 -1.681 -4.643 8.932 1020 2HD LYS 31 1HD LYS 31 -2.897 -4.862 10.191 1021 1HE LYS 31 2HE LYS 31 -0.060 -5.958 10.245 1022 2HE LYS 31 1HE LYS 31 -0.700 -4.644 11.251 1023 1HZ LYS 31 3HZ LYS 31 -2.549 -6.550 11.605 1024 2HZ LYS 31 2HZ LYS 31 -1.149 -7.500 11.448 1025 3HZ LYS 31 1HZ LYS 31 -1.237 -6.302 12.651 1026 H LEU 32 H LEU 32 -4.041 -7.315 4.670 1027 HA LEU 32 HA LEU 32 -6.882 -6.621 4.791 1028 1HB LEU 32 2HB LEU 32 -4.942 -5.827 3.223 1029 2HB LEU 32 1HB LEU 32 -5.278 -7.312 2.335 1030 HG LEU 32 HG LEU 32 -7.604 -6.644 2.024 1031 1HD1 LEU 32 3HD1 LEU 32 -6.768 -4.354 3.805 1032 2HD1 LEU 32 2HD1 LEU 32 -8.162 -4.222 2.733 1033 3HD1 LEU 32 1HD1 LEU 32 -8.137 -5.449 3.999 1034 1HD2 LEU 32 1HD2 LEU 32 -5.478 -4.623 1.306 1035 2HD2 LEU 32 3HD2 LEU 32 -6.208 -5.854 0.277 1036 3HD2 LEU 32 2HD2 LEU 32 -7.144 -4.439 0.758 1037 H GLU 33 H GLU 33 -4.954 -9.312 3.407 1038 HA GLU 33 HA GLU 33 -7.225 -10.881 2.578 1039 1HB GLU 33 2HB GLU 33 -4.989 -11.182 1.657 1040 2HB GLU 33 1HB GLU 33 -4.344 -11.558 3.255 1041 1HG GLU 33 2HG GLU 33 -4.983 -13.715 3.096 1042 2HG GLU 33 1HG GLU 33 -6.612 -13.260 2.595 1043 H ALA 34 H ALA 34 -5.782 -10.269 5.639 1044 HA ALA 34 HA ALA 34 -6.854 -12.725 6.901 1045 1HB ALA 34 2HB ALA 34 -4.623 -11.511 7.423 1046 2HB ALA 34 1HB ALA 34 -5.618 -10.299 8.229 1047 3HB ALA 34 3HB ALA 34 -5.622 -11.966 8.803 1048 H VAL 35 H VAL 35 -7.475 -9.292 6.563 1049 HA VAL 35 HA VAL 35 -9.540 -9.021 8.545 1050 HB VAL 35 HB VAL 35 -8.379 -7.576 6.236 1051 1HG1 VAL 35 3HG1 VAL 35 -10.825 -7.619 5.652 1052 2HG1 VAL 35 2HG1 VAL 35 -11.149 -6.815 7.188 1053 3HG1 VAL 35 1HG1 VAL 35 -10.188 -6.004 5.952 1054 1HG2 VAL 35 2HG2 VAL 35 -9.439 -6.717 8.940 1055 2HG2 VAL 35 1HG2 VAL 35 -7.760 -7.102 8.562 1056 3HG2 VAL 35 3HG2 VAL 35 -8.527 -5.691 7.833 1057 H ALA 36 H ALA 36 -9.507 -9.937 5.110 1058 HA ALA 36 HA ALA 36 -12.377 -10.107 4.792 1059 1HB ALA 36 3HB ALA 36 -10.284 -10.052 3.130 1060 2HB ALA 36 2HB ALA 36 -10.445 -11.804 3.251 1061 3HB ALA 36 1HB ALA 36 -11.793 -10.833 2.658 1062 H LYS 37 H LYS 37 -9.894 -12.213 6.082 1063 HA LYS 37 HA LYS 37 -11.500 -14.654 5.992 1064 1HB LYS 37 2HB LYS 37 -8.843 -13.729 6.821 1065 2HB LYS 37 1HB LYS 37 -9.510 -14.933 7.925 1066 1HG LYS 37 2HG LYS 37 -9.380 -16.600 6.385 1067 2HG LYS 37 1HG LYS 37 -9.887 -15.549 5.063 1068 1HD LYS 37 2HD LYS 37 -7.747 -15.419 4.384 1069 2HD LYS 37 1HD LYS 37 -7.337 -14.629 5.908 1070 1HE LYS 37 2HE LYS 37 -6.586 -16.604 6.887 1071 2HE LYS 37 1HE LYS 37 -7.630 -17.621 5.875 1072 1HZ LYS 37 3HZ LYS 37 -6.138 -16.352 4.039 1073 2HZ LYS 37 2HZ LYS 37 -5.012 -16.525 5.299 1074 3HZ LYS 37 1HZ LYS 37 -5.782 -17.893 4.649 1075 H ARG 38 H ARG 38 -11.089 -11.967 8.194 1076 HA ARG 38 HA ARG 38 -12.375 -13.316 10.461 1077 1HB ARG 38 2HB ARG 38 -11.912 -10.355 10.029 1078 2HB ARG 38 1HB ARG 38 -11.942 -11.237 11.554 1079 1HG ARG 38 2HG ARG 38 -9.947 -12.468 9.975 1080 2HG ARG 38 1HG ARG 38 -9.701 -10.728 9.813 1081 1HD ARG 38 2HD ARG 38 -10.071 -10.751 12.438 1082 2HD ARG 38 1HD ARG 38 -9.544 -12.437 12.272 1083 HE ARG 38 HE ARG 38 -7.857 -10.634 10.749 1084 1HH1 ARG 38 2HH1 ARG 38 -8.520 -12.021 13.843 1085 2HH1 ARG 38 1HH1 ARG 38 -6.928 -11.730 14.457 1086 1HH2 ARG 38 1HH2 ARG 38 -5.796 -10.207 11.554 1087 2HH2 ARG 38 2HH2 ARG 38 -5.384 -10.708 13.161 1088 H ILE 39 H ILE 39 -13.177 -11.120 7.837 1089 HA ILE 39 HA ILE 39 -15.795 -10.326 8.666 1090 HB ILE 39 HB ILE 39 -14.283 -10.604 6.073 1091 1HG1 ILE 39 2HG1 ILE 39 -13.970 -8.751 7.865 1092 2HG1 ILE 39 1HG1 ILE 39 -14.134 -8.254 6.184 1093 1HG2 ILE 39 2HG2 ILE 39 -17.201 -10.307 6.426 1094 2HG2 ILE 39 1HG2 ILE 39 -16.460 -9.105 5.367 1095 3HG2 ILE 39 3HG2 ILE 39 -16.284 -10.824 5.011 1096 1HD1 ILE 39 2HD1 ILE 39 -16.645 -8.512 7.761 1097 2HD1 ILE 39 1HD1 ILE 39 -15.597 -7.149 8.145 1098 3HD1 ILE 39 3HD1 ILE 39 -16.220 -7.347 6.509 1099 H GLU 40 H GLU 40 -14.646 -13.063 6.677 1100 HA GLU 40 HA GLU 40 -17.242 -14.181 6.151 1101 1HB GLU 40 2HB GLU 40 -15.873 -16.239 5.704 1102 2HB GLU 40 1HB GLU 40 -15.213 -14.805 4.918 1103 1HG GLU 40 2HG GLU 40 -13.522 -14.556 6.598 1104 2HG GLU 40 1HG GLU 40 -14.285 -15.766 7.631 1105 H ALA 41 H ALA 41 -14.961 -14.377 8.821 1106 HA ALA 41 HA ALA 41 -16.078 -16.551 10.284 1107 1HB ALA 41 1HB ALA 41 -14.046 -14.711 10.557 1108 2HB ALA 41 3HB ALA 41 -15.168 -14.192 11.815 1109 3HB ALA 41 2HB ALA 41 -14.536 -15.838 11.822 1110 H LEU 42 H LEU 42 -16.926 -13.117 10.140 1111 HA LEU 42 HA LEU 42 -19.068 -13.328 12.109 1112 1HB LEU 42 2HB LEU 42 -18.193 -11.273 10.059 1113 2HB LEU 42 1HB LEU 42 -19.556 -11.007 11.133 1114 HG LEU 42 HG LEU 42 -18.008 -10.098 12.523 1115 1HD1 LEU 42 3HD1 LEU 42 -17.341 -13.033 12.869 1116 2HD1 LEU 42 2HD1 LEU 42 -16.725 -11.766 13.928 1117 3HD1 LEU 42 1HD1 LEU 42 -18.459 -12.066 13.831 1118 1HD2 LEU 42 1HD2 LEU 42 -16.322 -10.941 10.445 1119 2HD2 LEU 42 3HD2 LEU 42 -15.933 -9.812 11.740 1120 3HD2 LEU 42 2HD2 LEU 42 -15.570 -11.526 11.929 1121 H GLU 43 H GLU 43 -18.734 -13.649 8.624 1122 HA GLU 43 HA GLU 43 -21.545 -13.449 7.970 1123 1HB GLU 43 2HB GLU 43 -19.200 -14.835 6.634 1124 2HB GLU 43 1HB GLU 43 -20.740 -14.469 5.853 1125 1HG GLU 43 2HG GLU 43 -19.983 -12.059 7.019 1126 2HG GLU 43 1HG GLU 43 -18.478 -12.718 6.381 1127 H ASN 44 H ASN 44 -19.637 -15.824 9.520 1128 HA ASN 44 HA ASN 44 -21.169 -18.184 8.762 1129 1HB ASN 44 2HB ASN 44 -19.257 -17.468 11.005 1130 2HB ASN 44 1HB ASN 44 -19.934 -19.084 10.810 1131 1HD2 ASN 44 2HD2 ASN 44 -18.174 -19.619 7.656 1132 2HD2 ASN 44 1HD2 ASN 44 -19.712 -19.864 8.330 1133 H LYS 45 H LYS 45 -21.470 -15.619 11.103 1134 HA LYS 45 HA LYS 45 -23.761 -17.042 12.415 1135 1HB LYS 45 2HB LYS 45 -21.828 -14.878 13.276 1136 2HB LYS 45 1HB LYS 45 -23.298 -15.228 14.185 1137 1HG LYS 45 2HG LYS 45 -21.428 -16.489 15.133 1138 2HG LYS 45 1HG LYS 45 -22.577 -17.602 14.388 1139 1HD LYS 45 2HD LYS 45 -21.139 -18.176 12.703 1140 2HD LYS 45 1HD LYS 45 -20.422 -16.565 12.626 1141 1HE LYS 45 2HE LYS 45 -18.644 -17.494 13.713 1142 2HE LYS 45 1HE LYS 45 -19.682 -17.478 15.154 1143 1HZ LYS 45 3HZ LYS 45 -19.856 -19.630 13.133 1144 2HZ LYS 45 2HZ LYS 45 -18.763 -19.722 14.431 1145 3HZ LYS 45 1HZ LYS 45 -20.434 -19.635 14.727 1146 H ILE 46 H ILE 46 -22.910 -14.489 10.298 1147 HA ILE 46 HA ILE 46 -25.417 -12.970 10.844 1148 HB ILE 46 HB ILE 46 -22.956 -12.458 9.135 1149 1HG1 ILE 46 2HG1 ILE 46 -22.308 -12.048 11.357 1150 2HG1 ILE 46 1HG1 ILE 46 -22.867 -10.465 10.833 1151 1HG2 ILE 46 2HG2 ILE 46 -25.605 -11.136 9.265 1152 2HG2 ILE 46 1HG2 ILE 46 -24.209 -10.060 9.303 1153 3HG2 ILE 46 3HG2 ILE 46 -24.427 -11.175 7.954 1154 1HD1 ILE 46 2HD1 ILE 46 -25.181 -11.227 11.754 1155 2HD1 ILE 46 1HD1 ILE 46 -24.252 -12.449 12.622 1156 3HD1 ILE 46 3HD1 ILE 46 -23.937 -10.739 12.904 1157 H ILE 47 HN ILE 47 -24.064 -15.315 8.705 1158 HA ILE 47 HA ILE 47 -25.353 -14.779 6.247 1159 HB ILE 47 HB ILE 47 -23.742 -16.535 6.433 1160 1HG1 ILE 47 2HG1 ILE 47 -26.347 -18.056 6.244 1161 2HG1 ILE 47 1HG1 ILE 47 -25.843 -16.934 4.980 1162 1HG2 ILE 47 1HG2 ILE 47 -25.181 -17.072 8.883 1163 2HG2 ILE 47 3HG2 ILE 47 -24.994 -18.557 7.950 1164 3HG2 ILE 47 2HG2 ILE 47 -23.574 -17.614 8.401 1165 1HD1 ILE 47 2HD1 ILE 47 -23.597 -18.574 5.624 1166 2HD1 ILE 47 1HD1 ILE 47 -24.986 -19.635 5.391 1167 3HD1 ILE 47 3HD1 ILE 47 -24.504 -18.519 4.113 No H/Q in entry = 1167 Start of MODEL 2 1 1H GLY 1 2H GLY 1 17.874 11.384 -27.610 2 2H GLY 1 1H GLY 1 19.403 12.028 -27.247 3 3H GLY 1 3H GLY 1 18.139 13.058 -27.715 4 1HA GLY 1 2HA GLY 1 18.163 12.295 -29.923 5 2HA GLY 1 1HA GLY 1 19.848 12.565 -29.474 6 H SER 2 H SER 2 19.023 10.737 -31.519 7 HA SER 2 HA SER 2 19.012 8.015 -30.487 8 1HB SER 2 2HB SER 2 18.739 9.456 -32.973 9 2HB SER 2 1HB SER 2 19.860 8.116 -33.191 10 HG SER 2 HG SER 2 17.548 7.618 -31.726 11 H HIS 3 H HIS 3 20.960 8.036 -29.110 12 HA HIS 3 HA HIS 3 23.437 7.568 -30.701 13 1HB HIS 3 2HB HIS 3 22.893 9.963 -29.438 14 2HB HIS 3 1HB HIS 3 23.838 9.103 -28.224 15 HD1 HIS 3 HD1 HIS 3 25.152 11.499 -29.552 16 HD2 HIS 3 HD2 HIS 3 25.456 7.634 -31.085 17 HE1 HIS 3 HE1 HIS 3 27.229 11.465 -31.001 18 H MET 4 H MET 4 25.110 6.453 -29.367 19 HA MET 4 HA MET 4 24.142 4.219 -27.938 20 1HB MET 4 2HB MET 4 26.478 4.975 -28.993 21 2HB MET 4 1HB MET 4 26.825 5.388 -27.315 22 1HG MET 4 2HG MET 4 26.149 3.079 -26.647 23 2HG MET 4 1HG MET 4 25.938 2.681 -28.352 24 1HE MET 4 3HE MET 4 27.919 4.162 -25.747 25 2HE MET 4 2HE MET 4 28.968 2.766 -25.511 26 3HE MET 4 1HE MET 4 29.607 4.221 -26.271 27 H GLU 5 H GLU 5 23.376 4.015 -25.865 28 HA GLU 5 HA GLU 5 24.048 6.178 -23.895 29 1HB GLU 5 2HB GLU 5 21.765 6.090 -23.150 30 2HB GLU 5 1HB GLU 5 21.708 6.163 -24.912 31 1HG GLU 5 2HG GLU 5 21.891 3.437 -24.374 32 2HG GLU 5 1HG GLU 5 20.806 4.041 -23.120 33 H GLU 6 H GLU 6 22.956 5.062 -21.634 34 HA GLU 6 HA GLU 6 23.508 2.251 -21.280 35 1HB GLU 6 2HB GLU 6 25.717 4.093 -21.379 36 2HB GLU 6 1HB GLU 6 25.604 3.418 -19.753 37 1HG GLU 6 2HG GLU 6 25.163 1.365 -21.756 38 2HG GLU 6 1HG GLU 6 26.714 2.168 -22.007 39 H ASP 7 H ASP 7 21.663 2.256 -19.927 40 HA ASP 7 HA ASP 7 20.788 4.058 -18.042 41 1HB ASP 7 2HB ASP 7 19.617 2.007 -18.542 42 2HB ASP 7 1HB ASP 7 20.960 1.034 -17.940 43 HA PRO 8 HA PRO 8 24.542 4.090 -15.522 44 1HB PRO 8 2HB PRO 8 23.961 6.456 -14.274 45 2HB PRO 8 1HB PRO 8 24.695 6.364 -15.887 46 1HG PRO 8 2HG PRO 8 21.874 6.901 -15.120 47 2HG PRO 8 1HG PRO 8 22.840 7.589 -16.434 48 1HD PRO 8 2HD PRO 8 20.967 5.622 -16.787 49 2HD PRO 8 1HD PRO 8 22.359 5.873 -17.861 50 H CYS 9 H CYS 9 21.563 5.434 -14.013 51 HA CYS 9 HA CYS 9 21.933 3.435 -11.808 52 1HB CYS 9 2HB CYS 9 21.498 6.387 -11.882 53 2HB CYS 9 1HB CYS 9 20.731 5.487 -10.571 54 H GLU 10 H GLU 10 20.352 2.280 -13.435 55 HA GLU 10 HA GLU 10 18.134 1.699 -14.072 56 1HB GLU 10 2HB GLU 10 18.101 2.387 -11.126 57 2HB GLU 10 1HB GLU 10 16.728 1.629 -11.933 58 1HG GLU 10 2HG GLU 10 17.825 -0.371 -12.234 59 2HG GLU 10 1HG GLU 10 19.409 0.397 -12.356 60 H CYS 11 H CYS 11 18.670 4.419 -14.778 61 HA CYS 11 HA CYS 11 17.055 6.448 -13.862 62 1HB CYS 11 2HB CYS 11 18.032 5.536 -16.527 63 2HB CYS 11 1HB CYS 11 16.839 6.840 -16.509 64 H LYS 12 H LYS 12 16.015 3.564 -15.583 65 HA LYS 12 HA LYS 12 13.181 4.525 -15.346 66 1HB LYS 12 2HB LYS 12 14.688 3.044 -17.499 67 2HB LYS 12 1HB LYS 12 12.933 2.921 -17.388 68 1HG LYS 12 2HG LYS 12 13.027 4.772 -18.736 69 2HG LYS 12 1HG LYS 12 13.193 5.597 -17.186 70 1HD LYS 12 2HD LYS 12 15.545 5.786 -17.410 71 2HD LYS 12 1HD LYS 12 15.599 4.586 -18.703 72 1HE LYS 12 2HE LYS 12 14.178 6.196 -20.089 73 2HE LYS 12 1HE LYS 12 14.522 7.415 -18.848 74 1HZ LYS 12 2HZ LYS 12 16.726 5.795 -19.917 75 2HZ LYS 12 1HZ LYS 12 16.151 7.101 -20.840 76 3HZ LYS 12 3HZ LYS 12 16.758 7.369 -19.279 77 H SER 13 H SER 13 15.464 2.219 -14.367 78 HA SER 13 HA SER 13 13.642 -0.070 -14.132 79 1HB SER 13 2HB SER 13 16.462 0.651 -13.497 80 2HB SER 13 1HB SER 13 15.762 -0.678 -12.580 81 HG SER 13 HG SER 13 15.844 -1.862 -14.312 82 H ILE 14 H ILE 14 14.770 2.554 -12.083 83 HA ILE 14 HA ILE 14 13.654 1.461 -9.606 84 HB ILE 14 HB ILE 14 14.783 4.121 -10.516 85 1HG1 ILE 14 2HG1 ILE 14 15.936 2.212 -8.499 86 2HG1 ILE 14 1HG1 ILE 14 16.185 1.950 -10.220 87 1HG2 ILE 14 2HG2 ILE 14 13.615 3.273 -7.876 88 2HG2 ILE 14 1HG2 ILE 14 14.925 4.454 -7.926 89 3HG2 ILE 14 3HG2 ILE 14 13.400 4.792 -8.747 90 1HD1 ILE 14 1HD1 ILE 14 16.857 4.515 -8.757 91 2HD1 ILE 14 3HD1 ILE 14 18.029 3.277 -9.207 92 3HD1 ILE 14 2HD1 ILE 14 17.169 4.173 -10.458 93 H VAL 15 H VAL 15 12.803 3.936 -11.984 94 HA VAL 15 HA VAL 15 10.337 4.702 -10.613 95 HB VAL 15 HB VAL 15 10.856 5.259 -13.518 96 1HG1 VAL 15 3HG1 VAL 15 9.970 6.898 -11.122 97 2HG1 VAL 15 2HG1 VAL 15 10.141 7.537 -12.757 98 3HG1 VAL 15 1HG1 VAL 15 8.941 6.290 -12.419 99 1HG2 VAL 15 3HG2 VAL 15 12.599 6.152 -11.217 100 2HG2 VAL 15 2HG2 VAL 15 13.094 5.563 -12.805 101 3HG2 VAL 15 1HG2 VAL 15 12.394 7.172 -12.640 102 H LYS 16 H LYS 16 11.370 2.255 -12.804 103 HA LYS 16 HA LYS 16 8.775 1.652 -13.993 104 1HB LYS 16 2HB LYS 16 10.640 0.886 -15.218 105 2HB LYS 16 1HB LYS 16 11.504 0.380 -13.767 106 1HG LYS 16 2HG LYS 16 10.605 -1.529 -15.151 107 2HG LYS 16 1HG LYS 16 10.043 -1.524 -13.479 108 1HD LYS 16 2HD LYS 16 7.888 -1.127 -14.079 109 2HD LYS 16 1HD LYS 16 8.352 0.028 -15.329 110 1HE LYS 16 2HE LYS 16 9.186 -2.683 -16.022 111 2HE LYS 16 1HE LYS 16 7.430 -2.564 -15.787 112 1HZ LYS 16 1HZ LYS 16 9.066 -0.687 -17.411 113 2HZ LYS 16 3HZ LYS 16 8.095 -1.924 -18.049 114 3HZ LYS 16 2HZ LYS 16 7.379 -0.631 -17.210 115 H PHE 17 H PHE 17 10.755 0.517 -11.288 116 HA PHE 17 HA PHE 17 8.959 -1.543 -10.363 117 1HB PHE 17 2HB PHE 17 11.107 -1.714 -9.483 118 2HB PHE 17 1HB PHE 17 11.313 0.034 -9.389 119 HD1 PHE 17 HD1 PHE 17 10.020 1.314 -7.601 120 HD2 PHE 17 HD2 PHE 17 10.428 -2.960 -7.584 121 HE1 PHE 17 HE1 PHE 17 9.414 1.270 -5.199 122 HE2 PHE 17 HE2 PHE 17 9.822 -3.007 -5.181 123 HZ PHE 17 HZ PHE 17 9.316 -0.893 -3.988 124 H GLN 18 H GLN 18 9.202 1.945 -9.941 125 HA GLN 18 HA GLN 18 7.468 2.278 -7.699 126 1HB GLN 18 2HB GLN 18 8.268 3.927 -10.092 127 2HB GLN 18 1HB GLN 18 7.115 4.559 -8.916 128 1HG GLN 18 2HG GLN 18 8.846 3.935 -7.123 129 2HG GLN 18 1HG GLN 18 9.988 3.741 -8.453 130 1HE2 GLN 18 1HE2 GLN 18 8.539 5.976 -9.981 131 2HE2 GLN 18 2HE2 GLN 18 9.086 7.405 -9.247 132 H THR 19 H THR 19 6.720 2.399 -11.195 133 HA THR 19 HA THR 19 3.924 2.798 -11.010 134 HB THR 19 HB THR 19 5.739 2.561 -12.979 135 HG1 THR 19 HG1 THR 19 4.004 3.358 -13.817 136 1HG2 THR 19 1HG2 THR 19 5.786 0.031 -12.579 137 2HG2 THR 19 3HG2 THR 19 4.173 0.000 -13.293 138 3HG2 THR 19 2HG2 THR 19 5.549 0.561 -14.245 139 H LYS 20 H LYS 20 5.852 -0.118 -10.613 140 HA LYS 20 HA LYS 20 3.691 -2.029 -10.658 141 1HB LYS 20 2HB LYS 20 6.541 -1.858 -9.843 142 2HB LYS 20 1HB LYS 20 5.604 -3.118 -9.039 143 1HG LYS 20 2HG LYS 20 4.761 -3.460 -11.595 144 2HG LYS 20 1HG LYS 20 6.403 -2.880 -11.884 145 1HD LYS 20 2HD LYS 20 7.063 -4.622 -10.042 146 2HD LYS 20 1HD LYS 20 5.501 -5.350 -10.426 147 1HE LYS 20 2HE LYS 20 6.884 -6.457 -11.953 148 2HE LYS 20 1HE LYS 20 6.380 -5.066 -12.933 149 1HZ LYS 20 3HZ LYS 20 8.630 -4.657 -11.128 150 2HZ LYS 20 2HZ LYS 20 8.926 -5.631 -12.487 151 3HZ LYS 20 1HZ LYS 20 8.367 -4.039 -12.684 152 H VAL 21 H VAL 21 5.195 -0.054 -8.144 153 HA VAL 21 HA VAL 21 3.660 -1.176 -5.940 154 HB VAL 21 HB VAL 21 5.579 1.042 -6.502 155 1HG1 VAL 21 3HG1 VAL 21 3.476 1.143 -4.392 156 2HG1 VAL 21 2HG1 VAL 21 5.109 1.617 -3.926 157 3HG1 VAL 21 1HG1 VAL 21 4.286 2.462 -5.236 158 1HG2 VAL 21 1HG2 VAL 21 5.358 -1.402 -4.853 159 2HG2 VAL 21 3HG2 VAL 21 6.772 -0.697 -5.635 160 3HG2 VAL 21 2HG2 VAL 21 6.213 -0.065 -4.086 161 H GLU 22 H GLU 22 3.085 1.113 -8.447 162 HA GLU 22 HA GLU 22 1.058 2.702 -7.090 163 1HB GLU 22 2HB GLU 22 2.217 2.340 -9.822 164 2HB GLU 22 1HB GLU 22 0.643 3.127 -9.713 165 1HG GLU 22 2HG GLU 22 3.003 3.977 -8.024 166 2HG GLU 22 1HG GLU 22 2.669 4.680 -9.607 167 H GLU 23 H GLU 23 1.002 0.023 -9.459 168 HA GLU 23 HA GLU 23 -1.895 -0.153 -9.535 169 1HB GLU 23 2HB GLU 23 0.192 -2.258 -10.194 170 2HB GLU 23 1HB GLU 23 -1.439 -2.133 -10.857 171 1HG GLU 23 2HG GLU 23 -0.713 0.205 -11.689 172 2HG GLU 23 1HG GLU 23 0.933 -0.341 -11.371 173 H LEU 24 H LEU 24 0.664 -1.676 -7.627 174 HA LEU 24 HA LEU 24 -0.986 -3.704 -6.398 175 1HB LEU 24 2HB LEU 24 1.642 -3.244 -6.576 176 2HB LEU 24 1HB LEU 24 1.363 -2.459 -5.020 177 HG LEU 24 HG LEU 24 0.101 -4.610 -4.367 178 1HD1 LEU 24 2HD1 LEU 24 1.616 -5.534 -6.823 179 2HD1 LEU 24 1HD1 LEU 24 0.941 -6.627 -5.616 180 3HD1 LEU 24 3HD1 LEU 24 -0.127 -5.596 -6.567 181 1HD2 LEU 24 3HD2 LEU 24 2.810 -3.847 -4.223 182 2HD2 LEU 24 2HD2 LEU 24 1.990 -5.032 -3.207 183 3HD2 LEU 24 1HD2 LEU 24 2.825 -5.552 -4.671 184 H ILE 25 H ILE 25 0.116 -0.473 -5.314 185 HA ILE 25 HA ILE 25 -1.197 -0.432 -2.807 186 HB ILE 25 HB ILE 25 0.075 1.395 -4.699 187 1HG1 ILE 25 2HG1 ILE 25 1.067 2.263 -2.715 188 2HG1 ILE 25 1HG1 ILE 25 -0.265 1.699 -1.709 189 1HG2 ILE 25 1HG2 ILE 25 -2.175 2.500 -2.988 190 2HG2 ILE 25 3HG2 ILE 25 -0.954 3.476 -3.805 191 3HG2 ILE 25 2HG2 ILE 25 -2.097 2.523 -4.750 192 1HD1 ILE 25 3HD1 ILE 25 1.150 -0.393 -3.266 193 2HD1 ILE 25 2HD1 ILE 25 2.072 0.350 -1.961 194 3HD1 ILE 25 1HD1 ILE 25 0.535 -0.442 -1.614 195 H ASN 26 H ASN 26 -2.436 0.230 -6.075 196 HA ASN 26 HA ASN 26 -4.992 1.290 -5.304 197 1HB ASN 26 2HB ASN 26 -3.666 1.047 -7.600 198 2HB ASN 26 1HB ASN 26 -4.615 -0.436 -7.728 199 1HD2 ASN 26 2HD2 ASN 26 -7.323 1.430 -8.972 200 2HD2 ASN 26 1HD2 ASN 26 -6.320 0.068 -9.127 201 H THR 27 H THR 27 -3.887 -2.014 -6.002 202 HA THR 27 HA THR 27 -6.387 -3.357 -5.673 203 HB THR 27 HB THR 27 -3.478 -4.114 -5.305 204 HG1 THR 27 HG1 THR 27 -4.361 -3.581 -7.409 205 1HG2 THR 27 3HG2 THR 27 -5.959 -5.834 -5.141 206 2HG2 THR 27 2HG2 THR 27 -4.365 -6.498 -5.504 207 3HG2 THR 27 1HG2 THR 27 -4.656 -5.695 -3.960 208 H LEU 28 H LEU 28 -3.961 -2.241 -3.359 209 HA LEU 28 HA LEU 28 -5.005 -3.694 -1.076 210 1HB LEU 28 2HB LEU 28 -3.144 -1.387 -1.602 211 2HB LEU 28 1HB LEU 28 -3.633 -1.742 0.056 212 HG LEU 28 HG LEU 28 -2.766 -4.065 -1.577 213 1HD1 LEU 28 2HD1 LEU 28 -1.152 -2.176 -2.128 214 2HD1 LEU 28 1HD1 LEU 28 -0.727 -2.150 -0.417 215 3HD1 LEU 28 3HD1 LEU 28 -0.420 -3.595 -1.379 216 1HD2 LEU 28 1HD2 LEU 28 -3.257 -3.432 1.125 217 2HD2 LEU 28 3HD2 LEU 28 -2.614 -4.948 0.493 218 3HD2 LEU 28 2HD2 LEU 28 -1.514 -3.670 1.006 219 H GLN 29 H GLN 29 -5.387 -0.358 -2.280 220 HA GLN 29 HA GLN 29 -7.213 0.485 -0.207 221 1HB GLN 29 2HB GLN 29 -5.702 1.727 -2.000 222 2HB GLN 29 1HB GLN 29 -7.155 1.608 -2.991 223 1HG GLN 29 2HG GLN 29 -8.035 3.368 -1.900 224 2HG GLN 29 1HG GLN 29 -7.966 2.453 -0.394 225 1HE2 GLN 29 2HE2 GLN 29 -5.877 5.391 0.288 226 2HE2 GLN 29 1HE2 GLN 29 -7.524 5.010 0.141 227 H GLN 30 H GLN 30 -7.490 -1.571 -2.905 228 HA GLN 30 HA GLN 30 -10.333 -1.103 -3.464 229 1HB GLN 30 2HB GLN 30 -8.148 -2.992 -4.327 230 2HB GLN 30 1HB GLN 30 -9.819 -3.313 -4.787 231 1HG GLN 30 2HG GLN 30 -9.139 -0.529 -5.222 232 2HG GLN 30 1HG GLN 30 -8.030 -1.593 -6.083 233 1HE2 GLN 30 2HE2 GLN 30 -11.518 -0.982 -7.782 234 2HE2 GLN 30 1HE2 GLN 30 -10.697 0.091 -6.755 235 H LYS 31 H LYS 31 -8.377 -3.772 -2.125 236 HA LYS 31 HA LYS 31 -10.639 -5.307 -1.192 237 1HB LYS 31 2HB LYS 31 -7.702 -5.312 -1.084 238 2HB LYS 31 1HB LYS 31 -8.448 -5.992 0.365 239 1HG LYS 31 2HG LYS 31 -9.734 -7.562 -0.961 240 2HG LYS 31 1HG LYS 31 -9.183 -6.810 -2.459 241 1HD LYS 31 2HD LYS 31 -6.788 -7.352 -1.504 242 2HD LYS 31 1HD LYS 31 -7.661 -8.545 -0.540 243 1HE LYS 31 2HE LYS 31 -8.200 -8.388 -3.498 244 2HE LYS 31 1HE LYS 31 -6.756 -9.242 -2.916 245 1HZ LYS 31 1HZ LYS 31 -8.397 -10.244 -1.215 246 2HZ LYS 31 3HZ LYS 31 -9.593 -9.790 -2.329 247 3HZ LYS 31 2HZ LYS 31 -8.369 -10.874 -2.793 248 H LEU 32 H LEU 32 -9.043 -2.488 -0.054 249 HA LEU 32 HA LEU 32 -9.788 -2.802 2.771 250 1HB LEU 32 2HB LEU 32 -7.788 -1.554 1.601 251 2HB LEU 32 1HB LEU 32 -8.960 -0.250 1.408 252 HG LEU 32 HG LEU 32 -9.353 -0.176 3.802 253 1HD1 LEU 32 2HD1 LEU 32 -7.677 -2.674 3.745 254 2HD1 LEU 32 1HD1 LEU 32 -7.708 -1.676 5.199 255 3HD1 LEU 32 3HD1 LEU 32 -9.202 -2.378 4.580 256 1HD2 LEU 32 1HD2 LEU 32 -7.414 1.077 2.901 257 2HD2 LEU 32 3HD2 LEU 32 -7.116 0.532 4.551 258 3HD2 LEU 32 2HD2 LEU 32 -6.381 -0.323 3.197 259 H GLU 33 H GLU 33 -10.788 -0.724 0.023 260 HA GLU 33 HA GLU 33 -12.943 0.560 1.455 261 1HB GLU 33 2HB GLU 33 -11.792 1.415 -0.593 262 2HB GLU 33 1HB GLU 33 -12.493 0.085 -1.515 263 1HG GLU 33 2HG GLU 33 -14.178 1.548 -1.930 264 2HG GLU 33 1HG GLU 33 -14.718 1.130 -0.304 265 H ALA 34 H ALA 34 -12.544 -2.522 -0.031 266 HA ALA 34 HA ALA 34 -15.446 -3.045 -0.294 267 1HB ALA 34 1HB ALA 34 -13.281 -3.850 -1.701 268 2HB ALA 34 3HB ALA 34 -13.355 -5.164 -0.529 269 3HB ALA 34 2HB ALA 34 -14.735 -4.839 -1.577 270 H VAL 35 H VAL 35 -12.659 -3.817 1.702 271 HA VAL 35 HA VAL 35 -13.836 -5.815 3.380 272 HB VAL 35 HB VAL 35 -11.502 -3.995 3.285 273 1HG1 VAL 35 3HG1 VAL 35 -12.415 -3.477 5.544 274 2HG1 VAL 35 2HG1 VAL 35 -12.350 -5.195 5.936 275 3HG1 VAL 35 1HG1 VAL 35 -10.861 -4.306 5.616 276 1HG2 VAL 35 3HG2 VAL 35 -11.484 -6.376 2.567 277 2HG2 VAL 35 2HG2 VAL 35 -10.315 -6.056 3.848 278 3HG2 VAL 35 1HG2 VAL 35 -11.840 -6.856 4.226 279 H ALA 36 H ALA 36 -13.809 -2.264 3.450 280 HA ALA 36 HA ALA 36 -15.086 -1.999 6.038 281 1HB ALA 36 3HB ALA 36 -14.493 -0.298 3.635 282 2HB ALA 36 2HB ALA 36 -15.613 0.321 4.850 283 3HB ALA 36 1HB ALA 36 -13.958 -0.089 5.302 284 H LYS 37 H LYS 37 -16.159 -2.489 2.739 285 HA LYS 37 HA LYS 37 -18.950 -1.802 3.191 286 1HB LYS 37 2HB LYS 37 -17.186 -2.848 1.079 287 2HB LYS 37 1HB LYS 37 -18.814 -3.524 1.019 288 1HG LYS 37 2HG LYS 37 -19.778 -1.515 0.494 289 2HG LYS 37 1HG LYS 37 -18.636 -0.595 1.475 290 1HD LYS 37 2HD LYS 37 -16.884 -0.949 -0.230 291 2HD LYS 37 1HD LYS 37 -18.030 -1.856 -1.217 292 1HE LYS 37 2HE LYS 37 -18.864 0.063 -2.081 293 2HE LYS 37 1HE LYS 37 -19.170 0.702 -0.453 294 1HZ LYS 37 3HZ LYS 37 -16.680 1.057 -0.340 295 2HZ LYS 37 2HZ LYS 37 -16.657 0.813 -2.021 296 3HZ LYS 37 1HZ LYS 37 -17.538 2.107 -1.358 297 H ARG 38 H ARG 38 -16.981 -4.711 3.457 298 HA ARG 38 HA ARG 38 -19.210 -6.549 3.798 299 1HB ARG 38 2HB ARG 38 -16.280 -6.721 4.582 300 2HB ARG 38 1HB ARG 38 -17.388 -8.084 4.432 301 1HG ARG 38 2HG ARG 38 -17.323 -6.371 2.049 302 2HG ARG 38 1HG ARG 38 -15.773 -7.130 2.410 303 1HD ARG 38 2HD ARG 38 -17.944 -9.032 2.767 304 2HD ARG 38 1HD ARG 38 -17.944 -8.357 1.123 305 HE ARG 38 HE ARG 38 -15.508 -9.553 2.397 306 1HH1 ARG 38 2HH1 ARG 38 -16.491 -7.894 -0.315 307 2HH1 ARG 38 1HH1 ARG 38 -15.944 -9.067 -1.465 308 1HH2 ARG 38 1HH2 ARG 38 -15.233 -11.472 0.934 309 2HH2 ARG 38 2HH2 ARG 38 -15.228 -11.096 -0.757 310 H ILE 39 H ILE 39 -16.994 -4.779 5.920 311 HA ILE 39 HA ILE 39 -17.794 -5.790 8.442 312 HB ILE 39 HB ILE 39 -16.760 -3.166 7.367 313 1HG1 ILE 39 2HG1 ILE 39 -15.388 -5.351 7.632 314 2HG1 ILE 39 1HG1 ILE 39 -14.694 -3.869 8.283 315 1HG2 ILE 39 2HG2 ILE 39 -17.389 -3.812 10.262 316 2HG2 ILE 39 1HG2 ILE 39 -16.421 -2.435 9.729 317 3HG2 ILE 39 3HG2 ILE 39 -18.125 -2.540 9.285 318 1HD1 ILE 39 1HD1 ILE 39 -16.413 -5.162 10.235 319 2HD1 ILE 39 3HD1 ILE 39 -15.140 -6.250 9.685 320 3HD1 ILE 39 2HD1 ILE 39 -14.721 -4.686 10.380 321 H GLU 40 H GLU 40 -19.097 -3.130 6.478 322 HA GLU 40 HA GLU 40 -21.195 -2.335 8.257 323 1HB GLU 40 2HB GLU 40 -21.156 -2.328 5.219 324 2HB GLU 40 1HB GLU 40 -22.071 -1.241 6.264 325 1HG GLU 40 2HG GLU 40 -19.220 -1.244 6.903 326 2HG GLU 40 1HG GLU 40 -19.532 -0.751 5.238 327 H ALA 41 H ALA 41 -20.920 -4.837 5.773 328 HA ALA 41 HA ALA 41 -23.642 -5.663 5.630 329 1HB ALA 41 3HB ALA 41 -21.244 -6.370 4.513 330 2HB ALA 41 2HB ALA 41 -21.538 -7.749 5.572 331 3HB ALA 41 1HB ALA 41 -22.721 -7.317 4.337 332 H LEU 42 H LEU 42 -21.106 -6.295 7.994 333 HA LEU 42 HA LEU 42 -22.739 -8.271 9.458 334 1HB LEU 42 2HB LEU 42 -20.044 -6.945 9.889 335 2HB LEU 42 1HB LEU 42 -20.722 -8.120 11.005 336 HG LEU 42 HG LEU 42 -19.549 -9.605 9.729 337 1HD1 LEU 42 1HD1 LEU 42 -21.964 -9.093 7.970 338 2HD1 LEU 42 3HD1 LEU 42 -20.845 -10.430 7.716 339 3HD1 LEU 42 2HD1 LEU 42 -21.782 -10.337 9.207 340 1HD2 LEU 42 1HD2 LEU 42 -19.027 -7.330 8.253 341 2HD2 LEU 42 3HD2 LEU 42 -18.332 -8.923 7.962 342 3HD2 LEU 42 2HD2 LEU 42 -19.762 -8.410 7.068 343 H GLU 43 H GLU 43 -22.109 -4.853 9.425 344 HA GLU 43 HA GLU 43 -22.888 -4.314 12.180 345 1HB GLU 43 2HB GLU 43 -22.759 -2.612 9.668 346 2HB GLU 43 1HB GLU 43 -22.913 -1.980 11.307 347 1HG GLU 43 2HG GLU 43 -20.778 -3.756 11.468 348 2HG GLU 43 1HG GLU 43 -20.546 -2.940 9.923 349 H ASN 44 H ASN 44 -24.533 -4.999 9.240 350 HA ASN 44 HA ASN 44 -27.048 -3.663 9.875 351 1HB ASN 44 2HB ASN 44 -26.043 -5.710 7.901 352 2HB ASN 44 1HB ASN 44 -27.768 -5.354 8.007 353 1HD2 ASN 44 2HD2 ASN 44 -27.466 -2.358 6.192 354 2HD2 ASN 44 1HD2 ASN 44 -28.475 -3.576 6.808 355 H LYS 45 H LYS 45 -25.501 -6.643 10.722 356 HA LYS 45 HA LYS 45 -28.050 -7.684 11.908 357 1HB LYS 45 2HB LYS 45 -25.482 -9.023 11.003 358 2HB LYS 45 1HB LYS 45 -26.793 -9.872 11.823 359 1HG LYS 45 2HG LYS 45 -27.184 -10.210 9.497 360 2HG LYS 45 1HG LYS 45 -28.329 -8.962 9.988 361 1HD LYS 45 2HD LYS 45 -27.284 -7.336 8.775 362 2HD LYS 45 1HD LYS 45 -25.675 -7.976 9.116 363 1HE LYS 45 2HE LYS 45 -25.661 -8.855 7.026 364 2HE LYS 45 1HE LYS 45 -26.981 -9.931 7.526 365 1HZ LYS 45 2HZ LYS 45 -28.552 -8.136 7.075 366 2HZ LYS 45 1HZ LYS 45 -27.283 -7.145 6.534 367 3HZ LYS 45 3HZ LYS 45 -27.684 -8.551 5.674 368 H ILE 46 H ILE 46 -24.988 -6.312 12.606 369 HA ILE 46 HA ILE 46 -24.974 -7.445 15.374 370 HB ILE 46 HB ILE 46 -22.944 -5.963 13.671 371 1HG1 ILE 46 2HG1 ILE 46 -22.963 -8.231 13.003 372 2HG1 ILE 46 1HG1 ILE 46 -21.661 -8.158 14.183 373 1HG2 ILE 46 1HG2 ILE 46 -23.056 -6.466 16.595 374 2HG2 ILE 46 3HG2 ILE 46 -21.515 -6.806 15.807 375 3HG2 ILE 46 2HG2 ILE 46 -22.225 -5.194 15.700 376 1HD1 ILE 46 3HD1 ILE 46 -23.735 -8.696 15.835 377 2HD1 ILE 46 2HD1 ILE 46 -24.296 -9.502 14.371 378 3HD1 ILE 46 1HD1 ILE 46 -22.748 -9.948 15.086 379 H ILE 47 HN ILE 47 -25.839 -4.676 13.565 380 HA ILE 47 HA ILE 47 -25.268 -2.495 15.247 381 HB ILE 47 HB ILE 47 -26.268 -2.153 13.109 382 1HG1 ILE 47 2HG1 ILE 47 -28.727 -1.627 14.702 383 2HG1 ILE 47 1HG1 ILE 47 -27.235 -0.892 15.291 384 1HG2 ILE 47 2HG2 ILE 47 -27.879 -4.417 13.933 385 2HG2 ILE 47 1HG2 ILE 47 -28.902 -3.125 13.306 386 3HG2 ILE 47 3HG2 ILE 47 -27.604 -3.782 12.311 387 1HD1 ILE 47 2HD1 ILE 47 -26.856 -0.020 12.942 388 2HD1 ILE 47 1HD1 ILE 47 -28.488 -0.565 12.552 389 3HD1 ILE 47 3HD1 ILE 47 -28.243 0.682 13.774 390 1H GLY 1 1H GLY 1 25.947 22.997 -6.757 391 2H GLY 1 3H GLY 1 27.036 22.841 -5.466 392 3H GLY 1 2H GLY 1 25.440 23.346 -5.173 393 1HA GLY 1 2HA GLY 1 26.738 25.286 -5.050 394 2HA GLY 1 1HA GLY 1 27.610 24.846 -6.519 395 H SER 2 H SER 2 26.229 27.318 -6.194 396 HA SER 2 HA SER 2 23.630 27.188 -7.517 397 1HB SER 2 2HB SER 2 25.480 29.160 -6.341 398 2HB SER 2 1HB SER 2 24.540 29.781 -7.694 399 HG SER 2 HG SER 2 22.800 28.482 -6.361 400 H HIS 3 H HIS 3 24.152 26.047 -9.519 401 HA HIS 3 HA HIS 3 25.317 27.847 -11.586 402 1HB HIS 3 2HB HIS 3 26.776 25.855 -10.351 403 2HB HIS 3 1HB HIS 3 26.164 25.034 -11.786 404 HD1 HIS 3 HD1 HIS 3 29.148 25.604 -11.666 405 HD2 HIS 3 HD2 HIS 3 26.408 28.280 -13.312 406 HE1 HIS 3 HE1 HIS 3 30.457 27.089 -13.244 407 H MET 4 H MET 4 24.822 26.968 -13.821 408 HA MET 4 HA MET 4 22.089 26.305 -14.164 409 1HB MET 4 2HB MET 4 24.103 27.131 -15.737 410 2HB MET 4 1HB MET 4 24.114 25.422 -16.174 411 1HG MET 4 2HG MET 4 21.648 25.582 -16.621 412 2HG MET 4 1HG MET 4 21.757 27.320 -16.344 413 1HE MET 4 3HE MET 4 23.238 24.379 -17.853 414 2HE MET 4 2HE MET 4 22.329 24.552 -19.351 415 3HE MET 4 1HE MET 4 24.064 24.857 -19.342 416 H GLU 5 H GLU 5 21.034 24.385 -13.827 417 HA GLU 5 HA GLU 5 22.646 21.852 -13.905 418 1HB GLU 5 2HB GLU 5 21.347 21.103 -12.026 419 2HB GLU 5 1HB GLU 5 21.845 22.753 -11.650 420 1HG GLU 5 2HG GLU 5 19.482 23.140 -13.030 421 2HG GLU 5 1HG GLU 5 19.153 21.674 -12.105 422 H GLU 6 H GLU 6 20.662 19.995 -13.855 423 HA GLU 6 HA GLU 6 18.387 20.589 -15.543 424 1HB GLU 6 2HB GLU 6 20.966 20.240 -16.758 425 2HB GLU 6 1HB GLU 6 19.932 18.889 -17.226 426 1HG GLU 6 2HG GLU 6 18.514 21.443 -17.294 427 2HG GLU 6 1HG GLU 6 19.909 21.421 -18.374 428 H ASP 7 H ASP 7 17.204 19.196 -14.172 429 HA ASP 7 HA ASP 7 17.860 16.787 -13.012 430 1HB ASP 7 2HB ASP 7 15.706 17.830 -12.717 431 2HB ASP 7 1HB ASP 7 15.335 17.670 -14.434 432 HA PRO 8 HA PRO 8 18.922 14.606 -16.825 433 1HB PRO 8 2HB PRO 8 20.365 12.640 -15.579 434 2HB PRO 8 1HB PRO 8 21.035 14.239 -15.961 435 1HG PRO 8 2HG PRO 8 20.028 13.177 -13.375 436 2HG PRO 8 1HG PRO 8 21.390 14.259 -13.699 437 1HD PRO 8 2HD PRO 8 18.952 15.098 -12.768 438 2HD PRO 8 1HD PRO 8 20.072 16.126 -13.688 439 H CYS 9 H CYS 9 18.317 12.611 -13.888 440 HA CYS 9 HA CYS 9 16.221 11.156 -15.466 441 1HB CYS 9 2HB CYS 9 18.538 10.288 -13.788 442 2HB CYS 9 1HB CYS 9 17.087 9.284 -13.767 443 H GLU 10 H GLU 10 14.921 12.991 -14.254 444 HA GLU 10 HA GLU 10 13.570 13.671 -12.416 445 1HB GLU 10 2HB GLU 10 13.379 10.659 -12.650 446 2HB GLU 10 1HB GLU 10 12.302 11.594 -11.614 447 1HG GLU 10 2HG GLU 10 11.219 12.585 -13.393 448 2HG GLU 10 1HG GLU 10 12.641 12.510 -14.434 449 H CYS 11 H CYS 11 16.321 13.479 -11.606 450 HA CYS 11 HA CYS 11 17.051 11.911 -9.470 451 1HB CYS 11 2HB CYS 11 17.425 14.763 -10.247 452 2HB CYS 11 1HB CYS 11 17.952 14.302 -8.625 453 H LYS 12 H LYS 12 14.589 14.427 -9.454 454 HA LYS 12 HA LYS 12 14.041 13.777 -6.573 455 1HB LYS 12 2HB LYS 12 14.018 16.336 -8.166 456 2HB LYS 12 1HB LYS 12 13.057 16.196 -6.693 457 1HG LYS 12 2HG LYS 12 15.026 16.967 -5.773 458 2HG LYS 12 1HG LYS 12 15.355 15.234 -5.730 459 1HD LYS 12 2HD LYS 12 16.686 15.333 -7.702 460 2HD LYS 12 1HD LYS 12 16.112 16.956 -8.097 461 1HE LYS 12 2HE LYS 12 17.173 17.683 -5.851 462 2HE LYS 12 1HE LYS 12 18.031 16.131 -5.911 463 1HZ LYS 12 2HZ LYS 12 17.922 17.757 -8.345 464 2HZ LYS 12 1HZ LYS 12 18.993 18.239 -7.118 465 3HZ LYS 12 3HZ LYS 12 19.136 16.696 -7.808 466 H SER 13 H SER 13 12.865 13.653 -9.752 467 HA SER 13 HA SER 13 10.022 14.032 -9.135 468 1HB SER 13 2HB SER 13 11.767 13.359 -11.452 469 2HB SER 13 1HB SER 13 10.081 12.866 -11.563 470 HG SER 13 HG SER 13 9.518 14.894 -11.725 471 H ILE 14 H ILE 14 12.269 11.345 -9.377 472 HA ILE 14 HA ILE 14 10.209 9.262 -9.305 473 HB ILE 14 HB ILE 14 13.225 9.377 -9.016 474 1HG1 ILE 14 2HG1 ILE 14 11.641 8.086 -11.220 475 2HG1 ILE 14 1HG1 ILE 14 11.911 9.826 -11.228 476 1HG2 ILE 14 2HG2 ILE 14 11.316 7.050 -8.853 477 2HG2 ILE 14 1HG2 ILE 14 12.952 6.825 -9.472 478 3HG2 ILE 14 3HG2 ILE 14 12.706 7.412 -7.828 479 1HD1 ILE 14 1HD1 ILE 14 14.106 7.749 -11.019 480 2HD1 ILE 14 3HD1 ILE 14 13.664 8.597 -12.500 481 3HD1 ILE 14 2HD1 ILE 14 14.327 9.494 -11.135 482 H VAL 15 H VAL 15 12.527 10.739 -7.077 483 HA VAL 15 HA VAL 15 11.718 9.103 -4.793 484 HB VAL 15 HB VAL 15 13.110 11.750 -4.529 485 1HG1 VAL 15 3HG1 VAL 15 13.549 8.961 -3.418 486 2HG1 VAL 15 2HG1 VAL 15 14.539 10.364 -3.015 487 3HG1 VAL 15 1HG1 VAL 15 12.834 10.329 -2.565 488 1HG2 VAL 15 3HG2 VAL 15 14.142 9.354 -6.055 489 2HG2 VAL 15 2HG2 VAL 15 14.241 11.061 -6.490 490 3HG2 VAL 15 1HG2 VAL 15 15.251 10.423 -5.196 491 H LYS 16 H LYS 16 10.637 11.968 -6.369 492 HA LYS 16 HA LYS 16 9.215 13.167 -4.126 493 1HB LYS 16 2HB LYS 16 9.747 14.616 -5.917 494 2HB LYS 16 1HB LYS 16 9.304 13.420 -7.133 495 1HG LYS 16 2HG LYS 16 7.652 15.319 -6.879 496 2HG LYS 16 1HG LYS 16 6.957 13.710 -6.672 497 1HD LYS 16 2HD LYS 16 6.526 14.039 -4.460 498 2HD LYS 16 1HD LYS 16 8.022 14.939 -4.204 499 1HE LYS 16 2HE LYS 16 6.173 16.383 -5.946 500 2HE LYS 16 1HE LYS 16 5.481 16.063 -4.343 501 1HZ LYS 16 1HZ LYS 16 8.186 17.185 -4.856 502 2HZ LYS 16 3HZ LYS 16 6.842 18.080 -4.338 503 3HZ LYS 16 2HZ LYS 16 7.506 16.885 -3.329 504 H PHE 17 H PHE 17 8.474 11.020 -6.846 505 HA PHE 17 HA PHE 17 5.664 10.684 -6.272 506 1HB PHE 17 2HB PHE 17 6.273 10.018 -8.417 507 2HB PHE 17 1HB PHE 17 7.830 9.389 -7.885 508 HD1 PHE 17 HD1 PHE 17 7.864 7.229 -6.520 509 HD2 PHE 17 HD2 PHE 17 4.415 8.573 -8.697 510 HE1 PHE 17 HE1 PHE 17 6.925 4.939 -6.438 511 HE2 PHE 17 HE2 PHE 17 3.474 6.282 -8.616 512 HZ PHE 17 HZ PHE 17 4.728 4.463 -7.488 513 H GLN 18 H GLN 18 8.647 9.230 -5.102 514 HA GLN 18 HA GLN 18 7.586 6.898 -3.839 515 1HB GLN 18 2HB GLN 18 9.958 8.709 -3.453 516 2HB GLN 18 1HB GLN 18 9.677 7.381 -2.327 517 1HG GLN 18 2HG GLN 18 9.480 5.874 -4.388 518 2HG GLN 18 1HG GLN 18 10.152 7.222 -5.307 519 1HE2 GLN 18 2HE2 GLN 18 13.064 6.896 -2.771 520 2HE2 GLN 18 1HE2 GLN 18 11.748 7.968 -2.739 521 H THR 19 H THR 19 8.219 10.143 -2.481 522 HA THR 19 HA THR 19 7.235 9.684 0.141 523 HB THR 19 HB THR 19 8.375 11.726 -1.214 524 HG1 THR 19 HG1 THR 19 8.527 12.055 0.847 525 1HG2 THR 19 1HG2 THR 19 6.115 12.172 -2.336 526 2HG2 THR 19 3HG2 THR 19 5.568 12.749 -0.763 527 3HG2 THR 19 2HG2 THR 19 6.903 13.559 -1.583 528 H LYS 20 H LYS 20 5.541 10.351 -2.873 529 HA LYS 20 HA LYS 20 2.946 10.903 -1.754 530 1HB LYS 20 2HB LYS 20 4.199 10.252 -4.356 531 2HB LYS 20 1HB LYS 20 2.503 9.784 -4.227 532 1HG LYS 20 2HG LYS 20 2.441 12.279 -3.110 533 2HG LYS 20 1HG LYS 20 3.711 12.481 -4.318 534 1HD LYS 20 2HD LYS 20 2.001 11.239 -5.894 535 2HD LYS 20 1HD LYS 20 0.815 11.795 -4.711 536 1HE LYS 20 2HE LYS 20 0.892 13.566 -6.288 537 2HE LYS 20 1HE LYS 20 1.980 14.126 -5.001 538 1HZ LYS 20 3HZ LYS 20 3.150 12.371 -7.006 539 2HZ LYS 20 2HZ LYS 20 2.736 13.930 -7.543 540 3HZ LYS 20 1HZ LYS 20 3.810 13.734 -6.241 541 H VAL 21 H VAL 21 4.656 7.957 -2.685 542 HA VAL 21 HA VAL 21 2.404 6.166 -2.209 543 HB VAL 21 HB VAL 21 5.319 6.059 -2.860 544 1HG1 VAL 21 3HG1 VAL 21 3.839 3.932 -1.379 545 2HG1 VAL 21 2HG1 VAL 21 4.893 3.425 -2.699 546 3HG1 VAL 21 1HG1 VAL 21 5.555 4.340 -1.345 547 1HG2 VAL 21 1HG2 VAL 21 2.710 5.328 -4.026 548 2HG2 VAL 21 3HG2 VAL 21 4.191 5.859 -4.823 549 3HG2 VAL 21 2HG2 VAL 21 4.004 4.172 -4.343 550 H GLU 22 H GLU 22 4.749 7.778 -0.265 551 HA GLU 22 HA GLU 22 4.820 5.895 1.954 552 1HB GLU 22 2HB GLU 22 5.726 8.664 1.287 553 2HB GLU 22 1HB GLU 22 5.650 8.232 2.991 554 1HG GLU 22 2HG GLU 22 7.055 6.544 0.916 555 2HG GLU 22 1HG GLU 22 7.878 7.771 1.877 556 H GLU 23 H GLU 23 3.116 8.961 1.289 557 HA GLU 23 HA GLU 23 1.649 8.979 3.792 558 1HB GLU 23 2HB GLU 23 1.036 10.337 1.145 559 2HB GLU 23 1HB GLU 23 0.520 10.865 2.748 560 1HG GLU 23 2HG GLU 23 3.011 11.000 3.338 561 2HG GLU 23 1HG GLU 23 3.320 10.844 1.608 562 H LEU 24 H LEU 24 1.042 7.737 0.536 563 HA LEU 24 HA LEU 24 -1.760 7.138 0.926 564 1HB LEU 24 2HB LEU 24 -0.137 7.287 -1.185 565 2HB LEU 24 1HB LEU 24 0.036 5.558 -0.882 566 HG LEU 24 HG LEU 24 -2.528 5.471 -0.818 567 1HD1 LEU 24 3HD1 LEU 24 -2.854 7.917 -0.569 568 2HD1 LEU 24 2HD1 LEU 24 -2.150 8.163 -2.166 569 3HD1 LEU 24 1HD1 LEU 24 -3.677 7.298 -2.000 570 1HD2 LEU 24 3HD2 LEU 24 -0.664 5.392 -2.951 571 2HD2 LEU 24 2HD2 LEU 24 -2.257 4.637 -2.895 572 3HD2 LEU 24 1HD2 LEU 24 -2.074 6.261 -3.557 573 H ILE 25 H ILE 25 1.214 5.156 1.114 574 HA ILE 25 HA ILE 25 0.033 2.697 1.856 575 HB ILE 25 HB ILE 25 2.646 4.030 1.887 576 1HG1 ILE 25 2HG1 ILE 25 3.361 1.948 0.959 577 2HG1 ILE 25 1HG1 ILE 25 1.987 1.090 1.655 578 1HG2 ILE 25 1HG2 ILE 25 2.102 1.873 3.952 579 2HG2 ILE 25 3HG2 ILE 25 3.707 2.419 3.467 580 3HG2 ILE 25 2HG2 ILE 25 2.606 3.529 4.284 581 1HD1 ILE 25 3HD1 ILE 25 1.282 3.356 -0.113 582 2HD1 ILE 25 2HD1 ILE 25 2.059 1.992 -0.917 583 3HD1 ILE 25 1HD1 ILE 25 0.569 1.746 -0.006 584 H ASN 26 H ASN 26 0.861 5.541 3.833 585 HA ASN 26 HA ASN 26 0.387 4.342 6.397 586 1HB ASN 26 2HB ASN 26 1.389 6.663 5.558 587 2HB ASN 26 1HB ASN 26 -0.270 7.206 5.809 588 1HD2 ASN 26 2HD2 ASN 26 0.479 7.672 9.219 589 2HD2 ASN 26 1HD2 ASN 26 -0.139 8.336 7.785 590 H THR 27 H THR 27 -1.727 6.095 4.145 591 HA THR 27 HA THR 27 -4.108 6.089 5.730 592 HB THR 27 HB THR 27 -3.496 6.126 2.765 593 HG1 THR 27 HG1 THR 27 -2.892 7.928 4.026 594 1HG2 THR 27 3HG2 THR 27 -6.152 6.370 4.191 595 2HG2 THR 27 2HG2 THR 27 -5.885 6.985 2.559 596 3HG2 THR 27 1HG2 THR 27 -5.723 5.261 2.891 597 H LEU 28 H LEU 28 -2.654 3.664 3.602 598 HA LEU 28 HA LEU 28 -4.966 1.919 3.488 599 1HB LEU 28 2HB LEU 28 -2.022 1.782 2.893 600 2HB LEU 28 1HB LEU 28 -2.973 0.296 2.872 601 HG LEU 28 HG LEU 28 -4.120 2.638 1.436 602 1HD1 LEU 28 2HD1 LEU 28 -1.669 2.624 0.840 603 2HD1 LEU 28 1HD1 LEU 28 -1.881 0.979 0.243 604 3HD1 LEU 28 3HD1 LEU 28 -2.741 2.313 -0.525 605 1HD2 LEU 28 1HD2 LEU 28 -4.598 -0.122 1.660 606 2HD2 LEU 28 3HD2 LEU 28 -5.379 0.992 0.539 607 3HD2 LEU 28 2HD2 LEU 28 -3.945 0.099 0.037 608 H GLN 29 H GLN 29 -1.995 1.968 5.449 609 HA GLN 29 HA GLN 29 -2.649 -0.358 7.031 610 1HB GLN 29 2HB GLN 29 -0.433 1.007 6.549 611 2HB GLN 29 1HB GLN 29 -0.940 1.934 7.962 612 1HG GLN 29 2HG GLN 29 -0.187 0.308 9.322 613 2HG GLN 29 1HG GLN 29 -1.262 -0.853 8.546 614 1HE2 GLN 29 2HE2 GLN 29 1.972 -2.338 7.838 615 2HE2 GLN 29 1HE2 GLN 29 0.792 -2.271 9.057 616 H GLN 30 H GLN 30 -3.804 2.852 6.934 617 HA GLN 30 HA GLN 30 -4.572 3.082 9.757 618 1HB GLN 30 2HB GLN 30 -4.945 4.610 7.187 619 2HB GLN 30 1HB GLN 30 -5.887 5.051 8.610 620 1HG GLN 30 2HG GLN 30 -3.100 4.638 9.291 621 2HG GLN 30 1HG GLN 30 -3.270 5.855 8.028 622 1HE2 GLN 30 1HE2 GLN 30 -2.813 5.921 11.165 623 2HE2 GLN 30 2HE2 GLN 30 -3.900 7.125 11.664 624 H LYS 31 H LYS 31 -6.300 2.767 6.650 625 HA LYS 31 HA LYS 31 -8.878 2.230 7.839 626 1HB LYS 31 2HB LYS 31 -7.582 2.337 5.207 627 2HB LYS 31 1HB LYS 31 -8.838 1.101 5.292 628 1HG LYS 31 2HG LYS 31 -10.478 2.714 6.017 629 2HG LYS 31 1HG LYS 31 -9.243 3.960 6.206 630 1HD LYS 31 2HD LYS 31 -8.788 3.383 3.642 631 2HD LYS 31 1HD LYS 31 -10.477 2.876 3.710 632 1HE LYS 31 2HE LYS 31 -9.615 5.562 4.805 633 2HE LYS 31 1HE LYS 31 -10.039 5.349 3.094 634 1HZ LYS 31 1HZ LYS 31 -12.067 4.110 4.024 635 2HZ LYS 31 3HZ LYS 31 -11.723 4.909 5.480 636 3HZ LYS 31 2HZ LYS 31 -12.074 5.807 4.081 637 H LEU 32 H LEU 32 -6.031 0.366 7.394 638 HA LEU 32 HA LEU 32 -7.354 -2.257 7.369 639 1HB LEU 32 2HB LEU 32 -5.076 -1.427 6.351 640 2HB LEU 32 1HB LEU 32 -4.456 -1.700 7.979 641 HG LEU 32 HG LEU 32 -5.121 -4.023 7.913 642 1HD1 LEU 32 2HD1 LEU 32 -6.531 -3.153 5.399 643 2HD1 LEU 32 1HD1 LEU 32 -6.061 -4.840 5.615 644 3HD1 LEU 32 3HD1 LEU 32 -7.166 -4.077 6.760 645 1HD2 LEU 32 1HD2 LEU 32 -2.985 -3.330 6.772 646 2HD2 LEU 32 3HD2 LEU 32 -3.673 -4.825 6.135 647 3HD2 LEU 32 2HD2 LEU 32 -3.865 -3.315 5.245 648 H GLU 33 H GLU 33 -5.356 -0.356 9.661 649 HA GLU 33 HA GLU 33 -5.625 -2.232 11.842 650 1HB GLU 33 2HB GLU 33 -3.836 -0.518 11.581 651 2HB GLU 33 1HB GLU 33 -5.041 0.751 11.799 652 1HG GLU 33 2HG GLU 33 -4.512 0.606 13.998 653 2HG GLU 33 1HG GLU 33 -5.502 -0.853 13.985 654 H ALA 34 H ALA 34 -7.661 0.219 10.499 655 HA ALA 34 HA ALA 34 -9.365 0.456 12.907 656 1HB ALA 34 1HB ALA 34 -8.834 2.361 11.342 657 2HB ALA 34 3HB ALA 34 -9.701 1.502 10.070 658 3HB ALA 34 2HB ALA 34 -10.566 2.066 11.500 659 H VAL 35 H VAL 35 -9.259 -1.046 9.737 660 HA VAL 35 HA VAL 35 -11.931 -2.064 9.601 661 HB VAL 35 HB VAL 35 -9.277 -2.424 8.349 662 1HG1 VAL 35 2HG1 VAL 35 -11.329 -4.647 8.178 663 2HG1 VAL 35 1HG1 VAL 35 -9.874 -4.518 7.190 664 3HG1 VAL 35 3HG1 VAL 35 -9.739 -4.772 8.930 665 1HG2 VAL 35 3HG2 VAL 35 -11.092 -1.026 7.419 666 2HG2 VAL 35 2HG2 VAL 35 -10.630 -2.313 6.305 667 3HG2 VAL 35 1HG2 VAL 35 -12.104 -2.461 7.262 668 H ALA 36 H ALA 36 -8.922 -3.272 11.052 669 HA ALA 36 HA ALA 36 -9.965 -5.851 11.836 670 1HB ALA 36 3HB ALA 36 -7.611 -4.092 12.422 671 2HB ALA 36 2HB ALA 36 -7.921 -5.441 13.514 672 3HB ALA 36 1HB ALA 36 -7.640 -5.741 11.798 673 H LYS 37 H LYS 37 -9.994 -2.615 13.209 674 HA LYS 37 HA LYS 37 -10.815 -3.399 15.882 675 1HB LYS 37 2HB LYS 37 -10.346 -0.985 14.279 676 2HB LYS 37 1HB LYS 37 -11.683 -0.796 15.414 677 1HG LYS 37 2HG LYS 37 -10.314 -0.863 17.229 678 2HG LYS 37 1HG LYS 37 -9.310 -2.140 16.541 679 1HD LYS 37 2HD LYS 37 -8.231 -0.470 15.056 680 2HD LYS 37 1HD LYS 37 -9.202 0.800 15.799 681 1HE LYS 37 2HE LYS 37 -7.825 0.915 17.601 682 2HE LYS 37 1HE LYS 37 -7.813 -0.849 17.788 683 1HZ LYS 37 3HZ LYS 37 -6.411 -0.804 15.656 684 2HZ LYS 37 2HZ LYS 37 -6.137 0.830 16.030 685 3HZ LYS 37 1HZ LYS 37 -5.654 -0.385 17.115 686 H ARG 38 H ARG 38 -12.477 -2.617 12.864 687 HA ARG 38 HA ARG 38 -15.141 -2.507 14.021 688 1HB ARG 38 2HB ARG 38 -14.183 -3.060 11.191 689 2HB ARG 38 1HB ARG 38 -15.800 -2.535 11.650 690 1HG ARG 38 2HG ARG 38 -13.695 -0.802 12.722 691 2HG ARG 38 1HG ARG 38 -13.718 -0.851 10.960 692 1HD ARG 38 2HD ARG 38 -16.427 -0.679 11.983 693 2HD ARG 38 1HD ARG 38 -15.436 0.657 12.602 694 HE ARG 38 HE ARG 38 -15.576 -0.031 9.688 695 1HH1 ARG 38 2HH1 ARG 38 -13.985 2.012 11.745 696 2HH1 ARG 38 1HH1 ARG 38 -14.512 3.486 11.008 697 1HH2 ARG 38 1HH2 ARG 38 -16.859 1.946 8.978 698 2HH2 ARG 38 2HH2 ARG 38 -16.141 3.450 9.444 699 H ILE 39 H ILE 39 -13.190 -4.959 12.359 700 HA ILE 39 HA ILE 39 -15.062 -7.072 12.205 701 HB ILE 39 HB ILE 39 -12.074 -6.839 12.578 702 1HG1 ILE 39 2HG1 ILE 39 -13.397 -6.315 10.399 703 2HG1 ILE 39 1HG1 ILE 39 -11.967 -7.339 10.277 704 1HG2 ILE 39 2HG2 ILE 39 -13.649 -9.412 12.257 705 2HG2 ILE 39 1HG2 ILE 39 -11.893 -9.273 12.173 706 3HG2 ILE 39 3HG2 ILE 39 -12.733 -8.933 13.686 707 1HD1 ILE 39 1HD1 ILE 39 -14.343 -8.909 10.874 708 2HD1 ILE 39 3HD1 ILE 39 -14.544 -7.976 9.392 709 3HD1 ILE 39 2HD1 ILE 39 -13.190 -9.091 9.553 710 H GLU 40 H GLU 40 -12.893 -6.073 14.834 711 HA GLU 40 HA GLU 40 -13.615 -8.126 16.708 712 1HB GLU 40 2HB GLU 40 -12.754 -5.254 17.210 713 2HB GLU 40 1HB GLU 40 -12.530 -6.623 18.300 714 1HG GLU 40 2HG GLU 40 -11.445 -7.141 15.637 715 2HG GLU 40 1HG GLU 40 -10.697 -5.740 16.404 716 H ALA 41 H ALA 41 -14.986 -4.984 15.852 717 HA ALA 41 HA ALA 41 -16.860 -4.703 17.986 718 1HB ALA 41 3HB ALA 41 -16.108 -3.343 15.706 719 2HB ALA 41 2HB ALA 41 -17.732 -3.889 15.283 720 3HB ALA 41 1HB ALA 41 -17.481 -2.900 16.721 721 H LEU 42 H LEU 42 -16.887 -6.616 15.028 722 HA LEU 42 HA LEU 42 -19.678 -7.477 15.402 723 1HB LEU 42 2HB LEU 42 -17.428 -8.206 13.501 724 2HB LEU 42 1HB LEU 42 -19.034 -8.911 13.402 725 HG LEU 42 HG LEU 42 -19.415 -7.189 11.957 726 1HD1 LEU 42 1HD1 LEU 42 -20.668 -6.618 14.147 727 2HD1 LEU 42 3HD1 LEU 42 -19.451 -5.361 14.356 728 3HD1 LEU 42 2HD1 LEU 42 -20.506 -5.345 12.944 729 1HD2 LEU 42 1HD2 LEU 42 -16.841 -6.477 12.802 730 2HD2 LEU 42 3HD2 LEU 42 -17.730 -5.803 11.436 731 3HD2 LEU 42 2HD2 LEU 42 -17.814 -5.021 13.015 732 H GLU 43 H GLU 43 -16.452 -8.532 16.219 733 HA GLU 43 HA GLU 43 -17.057 -11.330 16.676 734 1HB GLU 43 2HB GLU 43 -14.927 -9.451 17.744 735 2HB GLU 43 1HB GLU 43 -14.865 -11.210 17.863 736 1HG GLU 43 2HG GLU 43 -15.438 -10.722 15.181 737 2HG GLU 43 1HG GLU 43 -14.243 -9.496 15.603 738 H ASN 44 H ASN 44 -17.665 -8.410 18.382 739 HA ASN 44 HA ASN 44 -17.851 -9.552 21.063 740 1HB ASN 44 2HB ASN 44 -18.612 -6.990 19.664 741 2HB ASN 44 1HB ASN 44 -19.143 -7.284 21.321 742 1HD2 ASN 44 2HD2 ASN 44 -15.989 -6.548 22.698 743 2HD2 ASN 44 1HD2 ASN 44 -17.638 -6.850 22.964 744 H LYS 45 H LYS 45 -19.878 -9.331 18.263 745 HA LYS 45 HA LYS 45 -22.258 -10.229 19.853 746 1HB LYS 45 2HB LYS 45 -21.941 -8.847 17.169 747 2HB LYS 45 1HB LYS 45 -23.489 -9.409 17.801 748 1HG LYS 45 2HG LYS 45 -23.313 -7.091 18.393 749 2HG LYS 45 1HG LYS 45 -23.025 -8.011 19.870 750 1HD LYS 45 2HD LYS 45 -20.818 -7.412 19.974 751 2HD LYS 45 1HD LYS 45 -20.627 -7.417 18.220 752 1HE LYS 45 2HE LYS 45 -20.830 -5.162 18.216 753 2HE LYS 45 1HE LYS 45 -22.462 -5.321 18.893 754 1HZ LYS 45 2HZ LYS 45 -21.269 -5.771 21.080 755 2HZ LYS 45 1HZ LYS 45 -19.888 -5.117 20.337 756 3HZ LYS 45 3HZ LYS 45 -21.279 -4.164 20.523 757 H ILE 46 H ILE 46 -19.837 -11.231 17.662 758 HA ILE 46 HA ILE 46 -21.520 -13.489 16.644 759 HB ILE 46 HB ILE 46 -18.871 -12.274 15.793 760 1HG1 ILE 46 2HG1 ILE 46 -20.593 -10.877 14.982 761 2HG1 ILE 46 1HG1 ILE 46 -20.297 -11.973 13.637 762 1HG2 ILE 46 1HG2 ILE 46 -20.267 -14.803 15.000 763 2HG2 ILE 46 3HG2 ILE 46 -19.376 -13.901 13.774 764 3HG2 ILE 46 2HG2 ILE 46 -18.543 -14.497 15.210 765 1HD1 ILE 46 1HD1 ILE 46 -22.181 -13.403 14.418 766 2HD1 ILE 46 3HD1 ILE 46 -22.507 -12.235 15.699 767 3HD1 ILE 46 2HD1 ILE 46 -22.705 -11.771 14.013 768 H ILE 47 HN ILE 47 -19.083 -12.681 18.909 769 HA ILE 47 HA ILE 47 -17.435 -14.963 19.022 770 HB ILE 47 HB ILE 47 -16.972 -13.080 20.402 771 1HG1 ILE 47 2HG1 ILE 47 -18.111 -14.812 22.550 772 2HG1 ILE 47 1HG1 ILE 47 -16.944 -15.551 21.452 773 1HG2 ILE 47 2HG2 ILE 47 -19.856 -13.148 20.794 774 2HG2 ILE 47 1HG2 ILE 47 -19.002 -12.930 22.323 775 3HG2 ILE 47 3HG2 ILE 47 -18.734 -11.802 20.994 776 1HD1 ILE 47 1HD1 ILE 47 -16.262 -12.860 22.530 777 2HD1 ILE 47 3HD1 ILE 47 -16.181 -14.215 23.656 778 3HD1 ILE 47 2HD1 ILE 47 -15.209 -14.233 22.184 779 1H GLY 1 2H GLY 1 33.284 -0.674 -10.643 780 2H GLY 1 1H GLY 1 33.746 0.755 -11.434 781 3H GLY 1 3H GLY 1 33.603 -0.689 -12.313 782 1HA GLY 1 2HA GLY 1 35.453 -1.655 -11.127 783 2HA GLY 1 1HA GLY 1 35.928 -0.134 -11.882 784 H SER 2 H SER 2 37.164 -1.343 -9.546 785 HA SER 2 HA SER 2 36.290 -0.046 -7.121 786 1HB SER 2 2HB SER 2 38.355 -1.815 -8.088 787 2HB SER 2 1HB SER 2 39.074 -0.583 -7.056 788 HG SER 2 HG SER 2 36.695 -1.846 -6.266 789 H HIS 3 H HIS 3 36.022 2.219 -7.672 790 HA HIS 3 HA HIS 3 38.574 3.737 -7.661 791 1HB HIS 3 2HB HIS 3 37.267 3.137 -10.015 792 2HB HIS 3 1HB HIS 3 36.611 4.727 -9.620 793 HD1 HIS 3 HD1 HIS 3 38.449 4.589 -12.022 794 HD2 HIS 3 HD2 HIS 3 39.874 5.237 -8.158 795 HE1 HIS 3 HE1 HIS 3 40.705 5.715 -12.270 796 H MET 4 H MET 4 38.145 6.090 -7.229 797 HA MET 4 HA MET 4 36.370 6.535 -5.072 798 1HB MET 4 2HB MET 4 38.410 7.854 -6.262 799 2HB MET 4 1HB MET 4 37.056 8.802 -6.877 800 1HG MET 4 2HG MET 4 36.226 9.036 -4.519 801 2HG MET 4 1HG MET 4 37.697 8.234 -3.968 802 1HE MET 4 3HE MET 4 36.124 10.666 -6.069 803 2HE MET 4 2HE MET 4 36.508 12.135 -5.174 804 3HE MET 4 1HE MET 4 37.385 11.760 -6.655 805 H GLU 5 H GLU 5 34.187 6.848 -5.025 806 HA GLU 5 HA GLU 5 32.823 7.714 -7.552 807 1HB GLU 5 2HB GLU 5 31.110 6.092 -7.088 808 2HB GLU 5 1HB GLU 5 32.649 5.256 -6.885 809 1HG GLU 5 2HG GLU 5 32.222 6.304 -4.372 810 2HG GLU 5 1HG GLU 5 30.588 5.885 -4.886 811 H GLU 6 H GLU 6 30.305 8.128 -6.630 812 HA GLU 6 HA GLU 6 30.151 9.453 -4.059 813 1HB GLU 6 2HB GLU 6 31.354 10.823 -6.280 814 2HB GLU 6 1HB GLU 6 29.844 11.636 -5.864 815 1HG GLU 6 2HG GLU 6 31.263 10.902 -3.456 816 2HG GLU 6 1HG GLU 6 32.320 11.835 -4.515 817 H ASP 7 H ASP 7 28.095 8.480 -3.875 818 HA ASP 7 HA ASP 7 26.075 8.118 -5.710 819 1HB ASP 7 2HB ASP 7 25.879 7.392 -3.425 820 2HB ASP 7 1HB ASP 7 25.997 9.048 -2.829 821 HA PRO 8 HA PRO 8 25.596 12.451 -6.879 822 1HB PRO 8 2HB PRO 8 24.315 11.912 -9.238 823 2HB PRO 8 1HB PRO 8 26.079 11.843 -9.053 824 1HG PRO 8 2HG PRO 8 24.097 9.630 -9.117 825 2HG PRO 8 1HG PRO 8 25.740 9.696 -9.769 826 1HD PRO 8 2HD PRO 8 25.058 8.437 -7.428 827 2HD PRO 8 1HD PRO 8 26.684 9.056 -7.795 828 H CYS 9 H CYS 9 22.920 10.231 -7.811 829 HA CYS 9 HA CYS 9 21.052 12.060 -6.340 830 1HB CYS 9 2HB CYS 9 21.048 10.772 -9.038 831 2HB CYS 9 1HB CYS 9 19.492 10.982 -8.227 832 H GLU 10 H GLU 10 21.729 10.316 -4.581 833 HA GLU 10 HA GLU 10 21.240 8.304 -3.408 834 1HB GLU 10 2HB GLU 10 18.636 9.408 -4.487 835 2HB GLU 10 1HB GLU 10 18.689 8.100 -3.306 836 1HG GLU 10 2HG GLU 10 19.461 9.463 -1.617 837 2HG GLU 10 1HG GLU 10 20.316 10.533 -2.730 838 H CYS 11 H CYS 11 22.173 7.685 -6.026 839 HA CYS 11 HA CYS 11 20.647 6.163 -7.742 840 1HB CYS 11 2HB CYS 11 23.443 6.045 -6.699 841 2HB CYS 11 1HB CYS 11 22.888 4.696 -7.696 842 H LYS 12 H LYS 12 21.640 5.299 -4.481 843 HA LYS 12 HA LYS 12 20.144 2.712 -4.783 844 1HB LYS 12 2HB LYS 12 22.704 3.490 -3.404 845 2HB LYS 12 1HB LYS 12 21.785 2.102 -2.823 846 1HG LYS 12 2HG LYS 12 23.133 1.054 -4.387 847 2HG LYS 12 1HG LYS 12 21.757 1.474 -5.406 848 1HD LYS 12 2HD LYS 12 22.873 3.309 -6.369 849 2HD LYS 12 1HD LYS 12 24.063 3.385 -5.069 850 1HE LYS 12 2HE LYS 12 24.701 0.960 -5.889 851 2HE LYS 12 1HE LYS 12 23.935 1.491 -7.400 852 1HZ LYS 12 2HZ LYS 12 25.868 3.196 -5.951 853 2HZ LYS 12 1HZ LYS 12 26.385 2.054 -7.097 854 3HZ LYS 12 3HZ LYS 12 25.358 3.319 -7.567 855 H SER 13 H SER 13 20.252 5.736 -3.239 856 HA SER 13 HA SER 13 19.085 4.908 -0.676 857 1HB SER 13 2HB SER 13 19.905 7.399 -2.093 858 2HB SER 13 1HB SER 13 18.719 7.576 -0.806 859 HG SER 13 HG SER 13 20.160 6.819 0.633 860 H ILE 14 H ILE 14 17.927 6.043 -3.792 861 HA ILE 14 HA ILE 14 15.176 6.525 -2.902 862 HB ILE 14 HB ILE 14 16.625 6.327 -5.557 863 1HG1 ILE 14 2HG1 ILE 14 15.319 8.755 -4.361 864 2HG1 ILE 14 1HG1 ILE 14 16.923 8.261 -3.829 865 1HG2 ILE 14 2HG2 ILE 14 13.711 6.762 -4.938 866 2HG2 ILE 14 1HG2 ILE 14 14.439 7.517 -6.355 867 3HG2 ILE 14 3HG2 ILE 14 14.439 5.761 -6.194 868 1HD1 ILE 14 1HD1 ILE 14 16.153 8.726 -6.721 869 2HD1 ILE 14 3HD1 ILE 14 16.998 9.900 -5.713 870 3HD1 ILE 14 2HD1 ILE 14 17.766 8.363 -6.109 871 H VAL 15 H VAL 15 16.966 4.045 -4.668 872 HA VAL 15 HA VAL 15 14.632 2.327 -5.074 873 HB VAL 15 HB VAL 15 17.467 1.343 -5.210 874 1HG1 VAL 15 3HG1 VAL 15 15.039 1.157 -7.020 875 2HG1 VAL 15 2HG1 VAL 15 16.586 0.371 -7.330 876 3HG1 VAL 15 1HG1 VAL 15 15.624 -0.098 -5.929 877 1HG2 VAL 15 3HG2 VAL 15 16.291 3.570 -6.882 878 2HG2 VAL 15 2HG2 VAL 15 17.896 3.469 -6.153 879 3HG2 VAL 15 1HG2 VAL 15 17.503 2.478 -7.556 880 H LYS 16 H LYS 16 16.958 2.928 -2.605 881 HA LYS 16 HA LYS 16 16.762 0.369 -1.223 882 1HB LYS 16 2HB LYS 16 18.689 1.657 -0.753 883 2HB LYS 16 1HB LYS 16 17.771 3.160 -0.667 884 1HG LYS 16 2HG LYS 16 18.556 2.278 1.568 885 2HG LYS 16 1HG LYS 16 16.817 2.547 1.455 886 1HD LYS 16 2HD LYS 16 16.335 0.327 1.615 887 2HD LYS 16 1HD LYS 16 17.717 -0.141 0.620 888 1HE LYS 16 2HE LYS 16 18.564 1.018 3.163 889 2HE LYS 16 1HE LYS 16 17.558 -0.427 3.386 890 1HZ LYS 16 1HZ LYS 16 19.822 -0.243 1.472 891 2HZ LYS 16 3HZ LYS 16 19.936 -0.945 3.012 892 3HZ LYS 16 2HZ LYS 16 18.910 -1.629 1.842 893 H PHE 17 H PHE 17 15.288 3.580 -0.998 894 HA PHE 17 HA PHE 17 13.555 3.025 1.235 895 1HB PHE 17 2HB PHE 17 13.801 5.290 0.772 896 2HB PHE 17 1HB PHE 17 13.861 5.027 -0.969 897 HD1 PHE 17 HD1 PHE 17 11.709 4.370 -2.173 898 HD2 PHE 17 HD2 PHE 17 11.771 5.923 1.830 899 HE1 PHE 17 HE1 PHE 17 9.309 4.945 -2.364 900 HE2 PHE 17 HE2 PHE 17 9.367 6.502 1.640 901 HZ PHE 17 HZ PHE 17 8.134 6.011 -0.463 902 H GLN 18 H GLN 18 13.404 2.460 -2.239 903 HA GLN 18 HA GLN 18 10.619 1.902 -2.524 904 1HB GLN 18 2HB GLN 18 13.165 1.068 -3.892 905 2HB GLN 18 1HB GLN 18 11.625 0.388 -4.413 906 1HG GLN 18 2HG GLN 18 10.778 2.802 -4.557 907 2HG GLN 18 1HG GLN 18 12.466 3.290 -4.405 908 1HE2 GLN 18 2HE2 GLN 18 12.954 1.083 -7.536 909 2HE2 GLN 18 1HE2 GLN 18 13.258 0.715 -5.906 910 H THR 19 H THR 19 13.336 -0.328 -1.899 911 HA THR 19 HA THR 19 11.862 -2.737 -1.665 912 HB THR 19 HB THR 19 14.449 -1.985 -1.552 913 HG1 THR 19 HG1 THR 19 14.380 -4.050 -1.823 914 1HG2 THR 19 1HG2 THR 19 14.038 -1.093 0.815 915 2HG2 THR 19 3HG2 THR 19 13.908 -2.781 1.312 916 3HG2 THR 19 2HG2 THR 19 15.412 -2.181 0.613 917 H LYS 20 H LYS 20 12.368 -0.114 0.641 918 HA LYS 20 HA LYS 20 11.339 -1.443 2.979 919 1HB LYS 20 2HB LYS 20 12.009 1.282 2.038 920 2HB LYS 20 1HB LYS 20 10.778 1.230 3.302 921 1HG LYS 20 2HG LYS 20 12.565 -0.563 4.290 922 2HG LYS 20 1HG LYS 20 13.655 0.530 3.435 923 1HD LYS 20 2HD LYS 20 12.246 2.407 4.624 924 2HD LYS 20 1HD LYS 20 11.819 1.110 5.740 925 1HE LYS 20 2HE LYS 20 13.765 1.992 6.732 926 2HE LYS 20 1HE LYS 20 14.427 0.664 5.757 927 1HZ LYS 20 3HZ LYS 20 13.995 3.186 4.374 928 2HZ LYS 20 2HZ LYS 20 15.253 3.181 5.515 929 3HZ LYS 20 1HZ LYS 20 15.266 2.074 4.225 930 H VAL 21 H VAL 21 9.871 0.390 0.344 931 HA VAL 21 HA VAL 21 7.181 0.385 1.460 932 HB VAL 21 HB VAL 21 8.620 1.142 -1.048 933 1HG1 VAL 21 3HG1 VAL 21 5.758 0.301 -0.933 934 2HG1 VAL 21 2HG1 VAL 21 6.152 1.741 -1.871 935 3HG1 VAL 21 1HG1 VAL 21 6.905 0.197 -2.268 936 1HG2 VAL 21 1HG2 VAL 21 7.038 2.383 1.115 937 2HG2 VAL 21 3HG2 VAL 21 8.386 3.040 0.189 938 3HG2 VAL 21 2HG2 VAL 21 6.758 3.066 -0.486 939 H GLU 22 H GLU 22 9.166 -1.858 -0.259 940 HA GLU 22 HA GLU 22 7.045 -3.412 -1.498 941 1HB GLU 22 2HB GLU 22 9.987 -3.558 -1.005 942 2HB GLU 22 1HB GLU 22 9.168 -5.067 -1.394 943 1HG GLU 22 2HG GLU 22 8.777 -2.570 -3.047 944 2HG GLU 22 1HG GLU 22 10.080 -3.711 -3.377 945 H GLU 23 H GLU 23 9.024 -3.768 1.462 946 HA GLU 23 HA GLU 23 7.723 -6.215 2.317 947 1HB GLU 23 2HB GLU 23 9.219 -4.138 3.948 948 2HB GLU 23 1HB GLU 23 9.029 -5.849 4.330 949 1HG GLU 23 2HG GLU 23 10.192 -6.311 2.083 950 2HG GLU 23 1HG GLU 23 10.645 -4.607 2.101 951 H LEU 24 H LEU 24 7.214 -2.764 2.931 952 HA LEU 24 HA LEU 24 5.270 -3.054 5.037 953 1HB LEU 24 2HB LEU 24 6.677 -1.032 4.007 954 2HB LEU 24 1HB LEU 24 5.208 -0.805 3.058 955 HG LEU 24 HG LEU 24 3.952 -0.953 5.303 956 1HD1 LEU 24 3HD1 LEU 24 5.967 -1.851 6.527 957 2HD1 LEU 24 2HD1 LEU 24 6.710 -0.261 6.355 958 3HD1 LEU 24 1HD1 LEU 24 5.230 -0.444 7.294 959 1HD2 LEU 24 3HD2 LEU 24 5.159 1.180 3.904 960 2HD2 LEU 24 2HD2 LEU 24 3.819 1.283 5.046 961 3HD2 LEU 24 1HD2 LEU 24 5.477 1.491 5.611 962 H ILE 25 H ILE 25 4.935 -2.539 1.508 963 HA ILE 25 HA ILE 25 2.112 -2.575 1.349 964 HB ILE 25 HB ILE 25 4.456 -2.840 -0.373 965 1HG1 ILE 25 2HG1 ILE 25 3.179 -1.398 -1.790 966 2HG1 ILE 25 1HG1 ILE 25 1.658 -1.918 -1.063 967 1HG2 ILE 25 1HG2 ILE 25 1.937 -4.298 -1.238 968 2HG2 ILE 25 3HG2 ILE 25 3.325 -3.952 -2.269 969 3HG2 ILE 25 2HG2 ILE 25 3.493 -5.056 -0.903 970 1HD1 ILE 25 3HD1 ILE 25 3.567 -0.855 0.896 971 2HD1 ILE 25 2HD1 ILE 25 3.088 0.327 -0.321 972 3HD1 ILE 25 1HD1 ILE 25 1.862 -0.471 0.664 973 H ASN 26 H ASN 26 4.434 -5.278 1.487 974 HA ASN 26 HA ASN 26 2.576 -7.391 0.939 975 1HB ASN 26 2HB ASN 26 5.208 -7.240 1.195 976 2HB ASN 26 1HB ASN 26 4.861 -7.663 2.871 977 1HD2 ASN 26 2HD2 ASN 26 4.759 -11.054 1.941 978 2HD2 ASN 26 1HD2 ASN 26 5.369 -9.872 2.994 979 H THR 27 H THR 27 3.584 -5.817 3.950 980 HA THR 27 HA THR 27 2.078 -7.442 5.771 981 HB THR 27 HB THR 27 3.121 -4.598 5.782 982 HG1 THR 27 HG1 THR 27 4.645 -6.286 5.781 983 1HG2 THR 27 3HG2 THR 27 1.837 -6.190 8.018 984 2HG2 THR 27 2HG2 THR 27 2.783 -4.722 8.270 985 3HG2 THR 27 1HG2 THR 27 1.279 -4.657 7.350 986 H LEU 28 H LEU 28 1.233 -4.616 3.808 987 HA LEU 28 HA LEU 28 -1.304 -4.085 5.105 988 1HB LEU 28 2HB LEU 28 0.066 -3.377 2.514 989 2HB LEU 28 1HB LEU 28 -1.624 -2.934 2.756 990 HG LEU 28 HG LEU 28 0.251 -2.303 4.978 991 1HD1 LEU 28 2HD1 LEU 28 1.495 -1.669 2.884 992 2HD1 LEU 28 1HD1 LEU 28 0.139 -0.631 2.447 993 3HD1 LEU 28 3HD1 LEU 28 1.080 -0.288 3.898 994 1HD2 LEU 28 1HD2 LEU 28 -2.384 -1.713 4.266 995 2HD2 LEU 28 3HD2 LEU 28 -1.455 -0.932 5.547 996 3HD2 LEU 28 2HD2 LEU 28 -1.506 -0.219 3.935 997 H GLN 29 H GLN 29 -0.325 -5.895 2.201 998 HA GLN 29 HA GLN 29 -2.988 -6.756 1.474 999 1HB GLN 29 2HB GLN 29 -0.663 -6.617 0.212 1000 2HB GLN 29 1HB GLN 29 -0.459 -8.252 0.837 1001 1HG GLN 29 2HG GLN 29 -1.765 -9.036 -0.819 1002 2HG GLN 29 1HG GLN 29 -3.105 -8.068 -0.203 1003 1HE2 GLN 29 2HE2 GLN 29 -2.778 -6.687 -3.538 1004 2HE2 GLN 29 1HE2 GLN 29 -3.524 -7.965 -2.705 1005 H GLN 30 H GLN 30 -0.783 -7.641 3.928 1006 HA GLN 30 HA GLN 30 -1.661 -10.430 4.226 1007 1HB GLN 30 2HB GLN 30 0.111 -8.463 5.669 1008 2HB GLN 30 1HB GLN 30 -0.306 -9.995 6.432 1009 1HG GLN 30 2HG GLN 30 0.456 -10.419 3.681 1010 2HG GLN 30 1HG GLN 30 1.723 -9.545 4.541 1011 1HE2 GLN 30 2HE2 GLN 30 1.618 -13.427 5.105 1012 2HE2 GLN 30 1HE2 GLN 30 1.122 -12.592 3.713 1013 H LYS 31 H LYS 31 -1.955 -7.427 6.137 1014 HA LYS 31 HA LYS 31 -3.898 -8.497 7.989 1015 1HB LYS 31 2HB LYS 31 -2.571 -5.961 7.322 1016 2HB LYS 31 1HB LYS 31 -4.223 -5.737 7.900 1017 1HG LYS 31 2HG LYS 31 -3.760 -6.961 9.926 1018 2HG LYS 31 1HG LYS 31 -2.176 -7.458 9.327 1019 1HD LYS 31 2HD LYS 31 -1.839 -4.821 9.108 1020 2HD LYS 31 1HD LYS 31 -3.061 -4.803 10.379 1021 1HE LYS 31 2HE LYS 31 -0.677 -6.639 10.610 1022 2HE LYS 31 1HE LYS 31 -0.557 -4.939 11.105 1023 1HZ LYS 31 1HZ LYS 31 -2.813 -5.443 12.246 1024 2HZ LYS 31 3HZ LYS 31 -2.302 -7.058 12.169 1025 3HZ LYS 31 2HZ LYS 31 -1.370 -5.912 13.010 1026 H LEU 32 H LEU 32 -4.046 -7.420 4.734 1027 HA LEU 32 HA LEU 32 -6.888 -6.673 4.761 1028 1HB LEU 32 2HB LEU 32 -4.885 -5.844 3.287 1029 2HB LEU 32 1HB LEU 32 -5.196 -7.303 2.346 1030 HG LEU 32 HG LEU 32 -7.474 -6.611 1.915 1031 1HD1 LEU 32 2HD1 LEU 32 -6.814 -4.426 3.897 1032 2HD1 LEU 32 1HD1 LEU 32 -8.155 -4.276 2.762 1033 3HD1 LEU 32 3HD1 LEU 32 -8.146 -5.579 3.949 1034 1HD2 LEU 32 1HD2 LEU 32 -5.708 -5.660 0.470 1035 2HD2 LEU 32 3HD2 LEU 32 -7.053 -4.534 0.651 1036 3HD2 LEU 32 2HD2 LEU 32 -5.563 -4.280 1.559 1037 H GLU 33 H GLU 33 -4.907 -9.343 3.400 1038 HA GLU 33 HA GLU 33 -7.153 -10.882 2.456 1039 1HB GLU 33 2HB GLU 33 -4.771 -11.090 1.728 1040 2HB GLU 33 1HB GLU 33 -4.363 -11.725 3.321 1041 1HG GLU 33 2HG GLU 33 -4.765 -13.749 2.376 1042 2HG GLU 33 1HG GLU 33 -6.462 -13.338 2.627 1043 H ALA 34 H ALA 34 -5.704 -10.399 5.565 1044 HA ALA 34 HA ALA 34 -6.922 -12.800 6.780 1045 1HB ALA 34 1HB ALA 34 -4.668 -11.374 7.270 1046 2HB ALA 34 3HB ALA 34 -5.771 -10.560 8.380 1047 3HB ALA 34 2HB ALA 34 -5.492 -12.296 8.528 1048 H VAL 35 H VAL 35 -7.359 -9.328 6.519 1049 HA VAL 35 HA VAL 35 -9.436 -8.982 8.459 1050 HB VAL 35 HB VAL 35 -8.194 -7.591 6.165 1051 1HG1 VAL 35 3HG1 VAL 35 -10.581 -7.509 5.482 1052 2HG1 VAL 35 2HG1 VAL 35 -10.983 -6.796 7.045 1053 3HG1 VAL 35 1HG1 VAL 35 -9.957 -5.916 5.912 1054 1HG2 VAL 35 3HG2 VAL 35 -7.628 -7.165 8.531 1055 2HG2 VAL 35 2HG2 VAL 35 -8.247 -5.712 7.747 1056 3HG2 VAL 35 1HG2 VAL 35 -9.286 -6.641 8.827 1057 H ALA 36 H ALA 36 -9.410 -9.932 5.036 1058 HA ALA 36 HA ALA 36 -12.286 -9.968 4.696 1059 1HB ALA 36 3HB ALA 36 -9.820 -10.848 3.277 1060 2HB ALA 36 2HB ALA 36 -11.306 -11.686 2.831 1061 3HB ALA 36 1HB ALA 36 -11.196 -9.933 2.663 1062 H LYS 37 H LYS 37 -9.868 -12.221 5.899 1063 HA LYS 37 HA LYS 37 -11.567 -14.577 5.853 1064 1HB LYS 37 2HB LYS 37 -8.905 -13.726 6.781 1065 2HB LYS 37 1HB LYS 37 -9.643 -14.962 7.801 1066 1HG LYS 37 2HG LYS 37 -9.547 -16.557 6.169 1067 2HG LYS 37 1HG LYS 37 -9.888 -15.401 4.880 1068 1HD LYS 37 2HD LYS 37 -7.594 -14.549 5.003 1069 2HD LYS 37 1HD LYS 37 -7.240 -15.649 6.336 1070 1HE LYS 37 2HE LYS 37 -6.830 -17.352 4.899 1071 2HE LYS 37 1HE LYS 37 -8.374 -17.084 4.063 1072 1HZ LYS 37 3HZ LYS 37 -7.257 -15.033 3.104 1073 2HZ LYS 37 2HZ LYS 37 -5.788 -15.711 3.621 1074 3HZ LYS 37 1HZ LYS 37 -6.752 -16.530 2.487 1075 H ARG 38 H ARG 38 -10.956 -11.963 8.138 1076 HA ARG 38 HA ARG 38 -12.354 -13.200 10.372 1077 1HB ARG 38 2HB ARG 38 -11.671 -10.309 9.725 1078 2HB ARG 38 1HB ARG 38 -12.104 -10.929 11.317 1079 1HG ARG 38 2HG ARG 38 -9.906 -12.402 10.026 1080 2HG ARG 38 1HG ARG 38 -9.531 -10.714 10.372 1081 1HD ARG 38 2HD ARG 38 -10.930 -11.924 12.617 1082 2HD ARG 38 1HD ARG 38 -9.458 -12.831 12.217 1083 HE ARG 38 HE ARG 38 -9.479 -9.865 12.660 1084 1HH1 ARG 38 2HH1 ARG 38 -7.484 -12.348 11.693 1085 2HH1 ARG 38 1HH1 ARG 38 -6.256 -12.082 12.886 1086 1HH2 ARG 38 1HH2 ARG 38 -8.135 -9.796 14.693 1087 2HH2 ARG 38 2HH2 ARG 38 -6.628 -10.643 14.587 1088 H ILE 39 H ILE 39 -13.129 -10.884 7.809 1089 HA ILE 39 HA ILE 39 -15.759 -10.152 8.569 1090 HB ILE 39 HB ILE 39 -14.250 -10.496 5.977 1091 1HG1 ILE 39 2HG1 ILE 39 -13.916 -8.598 7.731 1092 2HG1 ILE 39 1HG1 ILE 39 -14.068 -8.147 6.033 1093 1HG2 ILE 39 3HG2 ILE 39 -16.611 -10.981 5.466 1094 2HG2 ILE 39 2HG2 ILE 39 -17.095 -9.487 6.267 1095 3HG2 ILE 39 1HG2 ILE 39 -16.131 -9.425 4.791 1096 1HD1 ILE 39 1HD1 ILE 39 -16.656 -8.345 7.392 1097 2HD1 ILE 39 3HD1 ILE 39 -15.596 -7.132 8.106 1098 3HD1 ILE 39 2HD1 ILE 39 -16.008 -7.043 6.395 1099 H GLU 40 H GLU 40 -14.561 -12.894 6.649 1100 HA GLU 40 HA GLU 40 -17.100 -14.100 6.091 1101 1HB GLU 40 2HB GLU 40 -14.402 -15.427 6.539 1102 2HB GLU 40 1HB GLU 40 -15.729 -16.046 5.557 1103 1HG GLU 40 2HG GLU 40 -14.941 -13.341 4.775 1104 2HG GLU 40 1HG GLU 40 -13.614 -14.494 4.636 1105 H ALA 41 H ALA 41 -14.849 -14.271 8.814 1106 HA ALA 41 HA ALA 41 -16.019 -16.420 10.268 1107 1HB ALA 41 3HB ALA 41 -13.984 -14.540 10.566 1108 2HB ALA 41 2HB ALA 41 -15.095 -14.148 11.879 1109 3HB ALA 41 1HB ALA 41 -14.417 -15.771 11.753 1110 H LEU 42 H LEU 42 -16.902 -13.013 9.977 1111 HA LEU 42 HA LEU 42 -19.035 -13.203 11.994 1112 1HB LEU 42 2HB LEU 42 -18.131 -11.112 9.992 1113 2HB LEU 42 1HB LEU 42 -19.461 -10.856 11.110 1114 HG LEU 42 HG LEU 42 -17.832 -9.991 12.448 1115 1HD1 LEU 42 1HD1 LEU 42 -17.368 -12.965 12.804 1116 2HD1 LEU 42 3HD1 LEU 42 -16.632 -11.745 13.839 1117 3HD1 LEU 42 2HD1 LEU 42 -18.385 -11.908 13.780 1118 1HD2 LEU 42 1HD2 LEU 42 -16.225 -10.864 10.353 1119 2HD2 LEU 42 3HD2 LEU 42 -15.709 -9.868 11.715 1120 3HD2 LEU 42 2HD2 LEU 42 -15.511 -11.620 11.779 1121 H GLU 43 H GLU 43 -18.642 -13.588 8.544 1122 HA GLU 43 HA GLU 43 -21.426 -13.225 7.806 1123 1HB GLU 43 2HB GLU 43 -19.090 -14.687 6.533 1124 2HB GLU 43 1HB GLU 43 -20.602 -14.307 5.709 1125 1HG GLU 43 2HG GLU 43 -19.816 -11.898 6.875 1126 2HG GLU 43 1HG GLU 43 -18.325 -12.594 6.240 1127 H ASN 44 H ASN 44 -19.605 -15.736 9.288 1128 HA ASN 44 HA ASN 44 -21.306 -17.972 8.495 1129 1HB ASN 44 2HB ASN 44 -19.138 -17.429 10.519 1130 2HB ASN 44 1HB ASN 44 -20.041 -18.944 10.581 1131 1HD2 ASN 44 2HD2 ASN 44 -18.291 -20.356 7.872 1132 2HD2 ASN 44 1HD2 ASN 44 -19.371 -20.584 9.163 1133 H LYS 45 H LYS 45 -21.421 -15.455 10.867 1134 HA LYS 45 HA LYS 45 -23.679 -16.830 12.283 1135 1HB LYS 45 2HB LYS 45 -21.717 -14.662 13.092 1136 2HB LYS 45 1HB LYS 45 -23.092 -15.149 14.087 1137 1HG LYS 45 2HG LYS 45 -21.214 -16.406 14.884 1138 2HG LYS 45 1HG LYS 45 -22.196 -17.529 13.941 1139 1HD LYS 45 2HD LYS 45 -20.645 -17.701 12.269 1140 2HD LYS 45 1HD LYS 45 -20.132 -16.022 12.430 1141 1HE LYS 45 2HE LYS 45 -18.310 -16.770 13.558 1142 2HE LYS 45 1HE LYS 45 -19.402 -17.290 14.858 1143 1HZ LYS 45 2HZ LYS 45 -19.811 -19.344 13.646 1144 2HZ LYS 45 1HZ LYS 45 -18.742 -18.857 12.417 1145 3HZ LYS 45 3HZ LYS 45 -18.154 -19.171 13.977 1146 H ILE 46 H ILE 46 -22.843 -14.297 10.132 1147 HA ILE 46 HA ILE 46 -25.313 -12.745 10.789 1148 HB ILE 46 HB ILE 46 -22.830 -12.212 9.127 1149 1HG1 ILE 46 2HG1 ILE 46 -22.261 -11.839 11.381 1150 2HG1 ILE 46 1HG1 ILE 46 -22.765 -10.243 10.841 1151 1HG2 ILE 46 1HG2 ILE 46 -25.478 -10.892 9.175 1152 2HG2 ILE 46 3HG2 ILE 46 -24.088 -9.813 9.274 1153 3HG2 ILE 46 2HG2 ILE 46 -24.252 -10.916 7.909 1154 1HD1 ILE 46 1HD1 ILE 46 -25.054 -10.717 11.736 1155 2HD1 ILE 46 3HD1 ILE 46 -24.443 -12.233 12.390 1156 3HD1 ILE 46 2HD1 ILE 46 -23.813 -10.697 12.984 1157 H ILE 47 HN ILE 47 -24.044 -15.059 8.611 1158 HA ILE 47 HA ILE 47 -25.241 -14.459 6.135 1159 HB ILE 47 HB ILE 47 -23.766 -16.319 6.367 1160 1HG1 ILE 47 2HG1 ILE 47 -26.228 -17.957 6.196 1161 2HG1 ILE 47 1HG1 ILE 47 -26.169 -16.575 5.101 1162 1HG2 ILE 47 2HG2 ILE 47 -25.334 -16.752 8.782 1163 2HG2 ILE 47 1HG2 ILE 47 -25.116 -18.252 7.880 1164 3HG2 ILE 47 3HG2 ILE 47 -23.709 -17.319 8.391 1165 1HD1 ILE 47 1HD1 ILE 47 -23.973 -18.648 5.374 1166 2HD1 ILE 47 3HD1 ILE 47 -25.187 -18.637 4.094 1167 3HD1 ILE 47 2HD1 ILE 47 -24.021 -17.320 4.215 No H/Q in entry = 1167 Start of MODEL 3 1 1H GLY 1 2H GLY 1 27.712 6.136 -29.968 2 2H GLY 1 1H GLY 1 26.476 5.209 -30.677 3 3H GLY 1 3H GLY 1 26.358 6.901 -30.652 4 1HA GLY 1 2HA GLY 1 25.095 6.612 -28.848 5 2HA GLY 1 1HA GLY 1 25.710 4.976 -28.604 6 H SER 2 H SER 2 27.062 4.701 -26.899 7 HA SER 2 HA SER 2 28.371 5.281 -25.011 8 1HB SER 2 2HB SER 2 29.474 6.274 -27.487 9 2HB SER 2 1HB SER 2 29.903 7.365 -26.173 10 HG SER 2 HG SER 2 31.403 5.869 -25.922 11 H HIS 3 H HIS 3 26.151 6.368 -24.305 12 HA HIS 3 HA HIS 3 26.484 9.335 -24.088 13 1HB HIS 3 2HB HIS 3 24.346 7.616 -24.754 14 2HB HIS 3 1HB HIS 3 23.963 8.256 -23.155 15 HD1 HIS 3 HD1 HIS 3 22.580 9.108 -25.942 16 HD2 HIS 3 HD2 HIS 3 25.457 11.272 -23.838 17 HE1 HIS 3 HE1 HIS 3 22.338 11.520 -26.672 18 H MET 4 H MET 4 25.035 6.766 -22.037 19 HA MET 4 HA MET 4 26.373 8.063 -19.684 20 1HB MET 4 2HB MET 4 23.648 6.945 -20.217 21 2HB MET 4 1HB MET 4 24.291 6.804 -18.580 22 1HG MET 4 2HG MET 4 24.160 9.049 -18.196 23 2HG MET 4 1HG MET 4 24.645 9.457 -19.841 24 1HE MET 4 3HE MET 4 22.368 9.518 -17.313 25 2HE MET 4 2HE MET 4 21.985 10.993 -18.196 26 3HE MET 4 1HE MET 4 20.739 9.772 -17.954 27 H GLU 5 H GLU 5 27.146 5.708 -21.549 28 HA GLU 5 HA GLU 5 28.248 3.641 -21.256 29 1HB GLU 5 2HB GLU 5 29.024 5.253 -19.288 30 2HB GLU 5 1HB GLU 5 28.139 4.094 -18.296 31 1HG GLU 5 2HG GLU 5 29.990 2.805 -18.346 32 2HG GLU 5 1HG GLU 5 29.621 2.500 -20.045 33 H GLU 6 H GLU 6 25.807 2.987 -21.795 34 HA GLU 6 HA GLU 6 24.070 1.428 -21.419 35 1HB GLU 6 2HB GLU 6 26.087 0.459 -19.367 36 2HB GLU 6 1HB GLU 6 24.780 -0.498 -20.069 37 1HG GLU 6 2HG GLU 6 25.945 0.315 -22.343 38 2HG GLU 6 1HG GLU 6 27.357 0.375 -21.288 39 H ASP 7 H ASP 7 22.723 0.455 -19.454 40 HA ASP 7 HA ASP 7 21.370 2.424 -18.080 41 1HB ASP 7 2HB ASP 7 20.941 -0.086 -18.272 42 2HB ASP 7 1HB ASP 7 22.045 -0.285 -16.911 43 HA PRO 8 HA PRO 8 24.750 3.708 -15.388 44 1HB PRO 8 2HB PRO 8 23.634 6.123 -14.736 45 2HB PRO 8 1HB PRO 8 24.538 5.845 -16.237 46 1HG PRO 8 2HG PRO 8 21.611 6.012 -15.797 47 2HG PRO 8 1HG PRO 8 22.579 6.528 -17.183 48 1HD PRO 8 2HD PRO 8 21.077 4.216 -17.093 49 2HD PRO 8 1HD PRO 8 22.449 4.493 -18.186 50 H CYS 9 H CYS 9 21.527 4.890 -14.339 51 HA CYS 9 HA CYS 9 21.810 3.230 -11.869 52 1HB CYS 9 2HB CYS 9 21.562 6.175 -12.279 53 2HB CYS 9 1HB CYS 9 20.696 5.477 -10.909 54 H GLU 10 H GLU 10 20.187 2.284 -13.844 55 HA GLU 10 HA GLU 10 17.935 1.862 -14.483 56 1HB GLU 10 2HB GLU 10 18.077 2.054 -11.473 57 2HB GLU 10 1HB GLU 10 16.586 1.576 -12.286 58 1HG GLU 10 2HG GLU 10 17.375 -0.503 -12.614 59 2HG GLU 10 1HG GLU 10 18.812 0.132 -13.415 60 H CYS 11 H CYS 11 18.384 4.530 -15.030 61 HA CYS 11 HA CYS 11 16.920 6.501 -13.708 62 1HB CYS 11 2HB CYS 11 17.745 5.922 -16.519 63 2HB CYS 11 1HB CYS 11 16.626 7.262 -16.251 64 H LYS 12 H LYS 12 15.757 3.939 -15.830 65 HA LYS 12 HA LYS 12 12.954 4.925 -15.414 66 1HB LYS 12 2HB LYS 12 14.424 3.572 -17.662 67 2HB LYS 12 1HB LYS 12 12.679 3.360 -17.522 68 1HG LYS 12 2HG LYS 12 12.323 5.403 -18.389 69 2HG LYS 12 1HG LYS 12 13.334 6.138 -17.144 70 1HD LYS 12 2HD LYS 12 15.198 6.176 -18.485 71 2HD LYS 12 1HD LYS 12 14.742 4.702 -19.339 72 1HE LYS 12 2HE LYS 12 12.759 6.262 -20.231 73 2HE LYS 12 1HE LYS 12 13.953 7.532 -19.901 74 1HZ LYS 12 3HZ LYS 12 15.603 6.227 -21.119 75 2HZ LYS 12 2HZ LYS 12 14.420 5.064 -21.492 76 3HZ LYS 12 1HZ LYS 12 14.291 6.639 -22.113 77 H SER 13 H SER 13 15.198 2.446 -14.706 78 HA SER 13 HA SER 13 13.298 0.233 -14.482 79 1HB SER 13 2HB SER 13 16.170 0.819 -13.963 80 2HB SER 13 1HB SER 13 15.474 -0.538 -13.086 81 HG SER 13 HG SER 13 15.430 -0.103 -15.894 82 H ILE 14 H ILE 14 14.600 2.694 -12.335 83 HA ILE 14 HA ILE 14 13.554 1.468 -9.882 84 HB ILE 14 HB ILE 14 14.792 4.116 -10.674 85 1HG1 ILE 14 2HG1 ILE 14 15.929 2.073 -8.786 86 2HG1 ILE 14 1HG1 ILE 14 16.052 1.823 -10.525 87 1HG2 ILE 14 2HG2 ILE 14 14.026 3.157 -7.896 88 2HG2 ILE 14 1HG2 ILE 14 14.954 4.613 -8.257 89 3HG2 ILE 14 3HG2 ILE 14 13.271 4.491 -8.768 90 1HD1 ILE 14 2HD1 ILE 14 16.938 4.364 -9.137 91 2HD1 ILE 14 1HD1 ILE 14 18.026 3.031 -9.528 92 3HD1 ILE 14 3HD1 ILE 14 17.218 3.916 -10.820 93 H VAL 15 H VAL 15 12.730 4.107 -12.073 94 HA VAL 15 HA VAL 15 10.360 4.931 -10.570 95 HB VAL 15 HB VAL 15 10.913 5.579 -13.462 96 1HG1 VAL 15 2HG1 VAL 15 9.911 7.103 -11.041 97 2HG1 VAL 15 1HG1 VAL 15 10.229 7.858 -12.603 98 3HG1 VAL 15 3HG1 VAL 15 8.977 6.622 -12.459 99 1HG2 VAL 15 3HG2 VAL 15 12.549 6.429 -11.061 100 2HG2 VAL 15 2HG2 VAL 15 13.128 5.787 -12.597 101 3HG2 VAL 15 1HG2 VAL 15 12.459 7.411 -12.522 102 H LYS 16 H LYS 16 11.189 2.569 -12.941 103 HA LYS 16 HA LYS 16 8.520 2.175 -14.062 104 1HB LYS 16 2HB LYS 16 10.309 1.414 -15.405 105 2HB LYS 16 1HB LYS 16 11.175 0.738 -14.026 106 1HG LYS 16 2HG LYS 16 10.110 -0.989 -15.534 107 2HG LYS 16 1HG LYS 16 9.606 -1.087 -13.846 108 1HD LYS 16 2HD LYS 16 7.464 -0.484 -14.320 109 2HD LYS 16 1HD LYS 16 7.969 0.716 -15.510 110 1HE LYS 16 2HE LYS 16 8.643 -1.860 -16.552 111 2HE LYS 16 1HE LYS 16 6.952 -1.908 -16.012 112 1HZ LYS 16 2HZ LYS 16 6.575 0.200 -17.154 113 2HZ LYS 16 1HZ LYS 16 8.177 0.198 -17.718 114 3HZ LYS 16 3HZ LYS 16 7.092 -0.995 -18.244 115 H PHE 17 H PHE 17 10.567 0.693 -11.580 116 HA PHE 17 HA PHE 17 8.716 -1.315 -10.694 117 1HB PHE 17 2HB PHE 17 10.889 -1.619 -9.914 118 2HB PHE 17 1HB PHE 17 11.161 0.111 -9.714 119 HD1 PHE 17 HD2 PHE 17 10.014 1.315 -7.794 120 HD2 PHE 17 HD1 PHE 17 10.198 -2.966 -8.081 121 HE1 PHE 17 HE2 PHE 17 9.488 1.135 -5.381 122 HE2 PHE 17 HE1 PHE 17 9.670 -3.147 -5.665 123 HZ PHE 17 HZ PHE 17 9.316 -1.095 -4.310 124 H GLN 18 H GLN 18 9.128 2.131 -10.039 125 HA GLN 18 HA GLN 18 7.456 2.366 -7.733 126 1HB GLN 18 2HB GLN 18 8.326 4.136 -10.005 127 2HB GLN 18 1HB GLN 18 7.157 4.742 -8.833 128 1HG GLN 18 2HG GLN 18 8.788 4.023 -7.016 129 2HG GLN 18 1HG GLN 18 9.966 3.756 -8.299 130 1HE2 GLN 18 2HE2 GLN 18 9.124 7.560 -8.911 131 2HE2 GLN 18 1HE2 GLN 18 8.296 6.243 -9.585 132 H THR 19 H THR 19 6.694 2.584 -11.209 133 HA THR 19 HA THR 19 3.904 3.136 -10.985 134 HB THR 19 HB THR 19 5.681 1.727 -12.985 135 HG1 THR 19 HG1 THR 19 5.473 4.121 -12.538 136 1HG2 THR 19 1HG2 THR 19 2.687 1.985 -12.980 137 2HG2 THR 19 3HG2 THR 19 3.570 2.038 -14.507 138 3HG2 THR 19 2HG2 THR 19 3.683 0.615 -13.472 139 H LYS 20 H LYS 20 5.724 0.093 -10.796 140 HA LYS 20 HA LYS 20 3.463 -1.692 -10.832 141 1HB LYS 20 2HB LYS 20 6.348 -1.704 -10.191 142 2HB LYS 20 1HB LYS 20 5.410 -2.901 -9.299 143 1HG LYS 20 2HG LYS 20 4.509 -2.911 -12.013 144 2HG LYS 20 1HG LYS 20 6.270 -3.021 -12.015 145 1HD LYS 20 2HD LYS 20 6.014 -5.217 -11.553 146 2HD LYS 20 1HD LYS 20 5.495 -4.718 -9.942 147 1HE LYS 20 2HE LYS 20 3.143 -4.418 -11.040 148 2HE LYS 20 1HE LYS 20 3.794 -5.464 -12.317 149 1HZ LYS 20 1HZ LYS 20 4.051 -6.114 -9.438 150 2HZ LYS 20 3HZ LYS 20 2.736 -6.645 -10.370 151 3HZ LYS 20 2HZ LYS 20 4.312 -7.137 -10.770 152 H VAL 21 H VAL 21 5.064 0.229 -8.376 153 HA VAL 21 HA VAL 21 3.629 -0.943 -6.115 154 HB VAL 21 HB VAL 21 5.603 1.225 -6.698 155 1HG1 VAL 21 1HG1 VAL 21 3.918 1.136 -4.181 156 2HG1 VAL 21 3HG1 VAL 21 5.401 2.075 -4.355 157 3HG1 VAL 21 2HG1 VAL 21 3.994 2.457 -5.348 158 1HG2 VAL 21 2HG2 VAL 21 5.333 -1.147 -4.868 159 2HG2 VAL 21 1HG2 VAL 21 6.598 -0.795 -6.045 160 3HG2 VAL 21 3HG2 VAL 21 6.535 0.096 -4.524 161 H GLU 22 H GLU 22 3.048 1.445 -8.528 162 HA GLU 22 HA GLU 22 1.112 3.049 -7.060 163 1HB GLU 22 2HB GLU 22 2.181 2.732 -9.830 164 2HB GLU 22 1HB GLU 22 0.625 3.538 -9.666 165 1HG GLU 22 2HG GLU 22 2.154 4.681 -7.649 166 2HG GLU 22 1HG GLU 22 3.295 4.507 -8.984 167 H GLU 23 H GLU 23 0.919 0.468 -9.524 168 HA GLU 23 HA GLU 23 -1.976 0.320 -9.512 169 1HB GLU 23 2HB GLU 23 0.081 -1.776 -10.288 170 2HB GLU 23 1HB GLU 23 -1.568 -1.632 -10.900 171 1HG GLU 23 2HG GLU 23 -0.543 0.867 -11.430 172 2HG GLU 23 1HG GLU 23 0.859 -0.170 -11.700 173 H LEU 24 H LEU 24 0.623 -1.346 -7.763 174 HA LEU 24 HA LEU 24 -1.014 -3.377 -6.548 175 1HB LEU 24 2HB LEU 24 1.605 -2.946 -6.791 176 2HB LEU 24 1HB LEU 24 1.395 -2.193 -5.210 177 HG LEU 24 HG LEU 24 0.467 -4.233 -4.293 178 1HD1 LEU 24 1HD1 LEU 24 0.466 -5.078 -7.184 179 2HD1 LEU 24 3HD1 LEU 24 0.538 -6.294 -5.908 180 3HD1 LEU 24 2HD1 LEU 24 -0.833 -5.189 -5.996 181 1HD2 LEU 24 3HD2 LEU 24 2.934 -4.763 -5.979 182 2HD2 LEU 24 2HD2 LEU 24 2.908 -4.122 -4.336 183 3HD2 LEU 24 1HD2 LEU 24 2.397 -5.782 -4.644 184 H ILE 25 H ILE 25 0.181 -0.230 -5.329 185 HA ILE 25 HA ILE 25 -1.072 -0.245 -2.803 186 HB ILE 25 HB ILE 25 0.137 1.630 -4.695 187 1HG1 ILE 25 2HG1 ILE 25 1.223 2.436 -2.742 188 2HG1 ILE 25 1HG1 ILE 25 -0.079 1.882 -1.691 189 1HG2 ILE 25 2HG2 ILE 25 -2.119 2.691 -4.551 190 2HG2 ILE 25 1HG2 ILE 25 -1.935 2.768 -2.798 191 3HG2 ILE 25 3HG2 ILE 25 -0.849 3.685 -3.841 192 1HD1 ILE 25 2HD1 ILE 25 1.088 -0.289 -3.271 193 2HD1 ILE 25 1HD1 ILE 25 2.268 0.499 -2.224 194 3HD1 ILE 25 3HD1 ILE 25 0.802 -0.195 -1.533 195 H ASN 26 H ASN 26 -2.390 0.614 -6.011 196 HA ASN 26 HA ASN 26 -4.939 1.580 -5.115 197 1HB ASN 26 2HB ASN 26 -3.668 1.508 -7.453 198 2HB ASN 26 1HB ASN 26 -4.597 0.024 -7.657 199 1HD2 ASN 26 2HD2 ASN 26 -6.463 3.611 -7.951 200 2HD2 ASN 26 1HD2 ASN 26 -4.795 3.504 -7.656 201 H THR 27 H THR 27 -3.749 -1.653 -5.945 202 HA THR 27 HA THR 27 -6.221 -3.083 -5.720 203 HB THR 27 HB THR 27 -3.290 -3.764 -5.384 204 HG1 THR 27 HG1 THR 27 -4.103 -3.210 -7.461 205 1HG2 THR 27 1HG2 THR 27 -5.728 -5.487 -5.072 206 2HG2 THR 27 3HG2 THR 27 -4.265 -6.176 -5.777 207 3HG2 THR 27 2HG2 THR 27 -4.227 -5.502 -4.147 208 H LEU 28 H LEU 28 -3.830 -2.037 -3.330 209 HA LEU 28 HA LEU 28 -4.884 -3.617 -1.133 210 1HB LEU 28 2HB LEU 28 -3.028 -1.279 -1.526 211 2HB LEU 28 1HB LEU 28 -3.530 -1.717 0.107 212 HG LEU 28 HG LEU 28 -2.641 -3.961 -1.622 213 1HD1 LEU 28 3HD1 LEU 28 -1.010 -1.582 -1.191 214 2HD1 LEU 28 2HD1 LEU 28 -0.262 -3.022 -0.501 215 3HD1 LEU 28 1HD1 LEU 28 -0.691 -2.984 -2.212 216 1HD2 LEU 28 3HD2 LEU 28 -2.903 -3.255 1.190 217 2HD2 LEU 28 2HD2 LEU 28 -2.756 -4.850 0.452 218 3HD2 LEU 28 1HD2 LEU 28 -1.308 -3.922 0.844 219 H GLN 29 H GLN 29 -5.289 -0.245 -2.209 220 HA GLN 29 HA GLN 29 -7.133 0.508 -0.113 221 1HB GLN 29 2HB GLN 29 -5.627 1.849 -1.831 222 2HB GLN 29 1HB GLN 29 -7.053 1.735 -2.858 223 1HG GLN 29 2HG GLN 29 -8.403 2.665 -0.924 224 2HG GLN 29 1HG GLN 29 -6.873 2.979 -0.103 225 1HE2 GLN 29 2HE2 GLN 29 -6.345 5.974 -1.856 226 2HE2 GLN 29 1HE2 GLN 29 -6.003 5.013 -0.499 227 H GLN 30 H GLN 30 -7.353 -1.423 -2.917 228 HA GLN 30 HA GLN 30 -10.196 -0.997 -3.487 229 1HB GLN 30 2HB GLN 30 -7.991 -2.874 -4.343 230 2HB GLN 30 1HB GLN 30 -9.652 -3.137 -4.870 231 1HG GLN 30 2HG GLN 30 -8.926 -0.360 -5.197 232 2HG GLN 30 1HG GLN 30 -7.771 -1.399 -6.026 233 1HE2 GLN 30 2HE2 GLN 30 -10.883 -0.718 -8.152 234 2HE2 GLN 30 1HE2 GLN 30 -9.921 0.338 -7.233 235 H LYS 31 H LYS 31 -8.239 -3.721 -2.230 236 HA LYS 31 HA LYS 31 -10.463 -5.308 -1.366 237 1HB LYS 31 2HB LYS 31 -7.508 -5.150 -0.979 238 2HB LYS 31 1HB LYS 31 -8.409 -6.122 0.184 239 1HG LYS 31 2HG LYS 31 -8.687 -6.418 -2.817 240 2HG LYS 31 1HG LYS 31 -7.610 -7.411 -1.833 241 1HD LYS 31 2HD LYS 31 -9.387 -8.417 -0.677 242 2HD LYS 31 1HD LYS 31 -10.517 -7.135 -1.111 243 1HE LYS 31 2HE LYS 31 -10.463 -7.879 -3.474 244 2HE LYS 31 1HE LYS 31 -9.336 -9.177 -3.033 245 1HZ LYS 31 1HZ LYS 31 -10.986 -9.908 -1.360 246 2HZ LYS 31 3HZ LYS 31 -12.082 -8.768 -1.973 247 3HZ LYS 31 2HZ LYS 31 -11.555 -10.048 -2.955 248 H LEU 32 H LEU 32 -8.943 -2.497 -0.095 249 HA LEU 32 HA LEU 32 -9.751 -2.885 2.694 250 1HB LEU 32 2HB LEU 32 -7.793 -1.538 1.564 251 2HB LEU 32 1HB LEU 32 -9.012 -0.278 1.382 252 HG LEU 32 HG LEU 32 -9.428 -0.294 3.795 253 1HD1 LEU 32 2HD1 LEU 32 -7.423 -2.559 3.739 254 2HD1 LEU 32 1HD1 LEU 32 -7.792 -1.665 5.213 255 3HD1 LEU 32 3HD1 LEU 32 -9.061 -2.576 4.394 256 1HD2 LEU 32 1HD2 LEU 32 -6.617 0.017 2.777 257 2HD2 LEU 32 3HD2 LEU 32 -7.753 1.260 3.298 258 3HD2 LEU 32 2HD2 LEU 32 -6.947 0.245 4.494 259 H GLU 33 H GLU 33 -10.799 -0.821 -0.039 260 HA GLU 33 HA GLU 33 -13.034 0.359 1.361 261 1HB GLU 33 2HB GLU 33 -12.022 1.405 -0.580 262 2HB GLU 33 1HB GLU 33 -12.309 -0.032 -1.561 263 1HG GLU 33 2HG GLU 33 -14.058 1.439 -2.169 264 2HG GLU 33 1HG GLU 33 -14.807 0.327 -1.021 265 H ALA 34 H ALA 34 -12.490 -2.693 -0.129 266 HA ALA 34 HA ALA 34 -15.354 -3.324 -0.504 267 1HB ALA 34 3HB ALA 34 -12.691 -4.395 -1.221 268 2HB ALA 34 2HB ALA 34 -13.886 -5.634 -0.839 269 3HB ALA 34 1HB ALA 34 -14.203 -4.471 -2.127 270 H VAL 35 H VAL 35 -12.631 -3.973 1.609 271 HA VAL 35 HA VAL 35 -13.776 -6.012 3.255 272 HB VAL 35 HB VAL 35 -11.557 -4.042 3.254 273 1HG1 VAL 35 1HG1 VAL 35 -12.653 -3.691 5.506 274 2HG1 VAL 35 3HG1 VAL 35 -12.308 -5.386 5.854 275 3HG1 VAL 35 2HG1 VAL 35 -10.986 -4.254 5.562 276 1HG2 VAL 35 1HG2 VAL 35 -11.840 -6.964 3.984 277 2HG2 VAL 35 3HG2 VAL 35 -11.203 -6.307 2.477 278 3HG2 VAL 35 2HG2 VAL 35 -10.308 -6.090 3.981 279 H ALA 36 H ALA 36 -13.836 -2.450 3.379 280 HA ALA 36 HA ALA 36 -15.280 -2.205 5.852 281 1HB ALA 36 3HB ALA 36 -14.308 -0.581 3.656 282 2HB ALA 36 2HB ALA 36 -15.934 -0.070 4.110 283 3HB ALA 36 1HB ALA 36 -14.649 -0.095 5.317 284 H LYS 37 H LYS 37 -16.224 -2.850 2.524 285 HA LYS 37 HA LYS 37 -19.057 -2.325 2.856 286 1HB LYS 37 2HB LYS 37 -17.172 -3.357 0.868 287 2HB LYS 37 1HB LYS 37 -18.713 -4.215 0.826 288 1HG LYS 37 2HG LYS 37 -19.897 -2.347 0.187 289 2HG LYS 37 1HG LYS 37 -18.811 -1.242 1.031 290 1HD LYS 37 2HD LYS 37 -17.099 -1.558 -0.684 291 2HD LYS 37 1HD LYS 37 -18.111 -2.744 -1.508 292 1HE LYS 37 2HE LYS 37 -18.726 -0.886 -2.739 293 2HE LYS 37 1HE LYS 37 -19.853 -0.661 -1.387 294 1HZ LYS 37 1HZ LYS 37 -17.701 0.395 -0.320 295 2HZ LYS 37 3HZ LYS 37 -17.331 0.708 -1.945 296 3HZ LYS 37 2HZ LYS 37 -18.766 1.317 -1.271 297 H ARG 38 H ARG 38 -16.973 -5.137 3.315 298 HA ARG 38 HA ARG 38 -19.126 -7.041 3.721 299 1HB ARG 38 2HB ARG 38 -16.222 -7.080 4.609 300 2HB ARG 38 1HB ARG 38 -17.271 -8.481 4.394 301 1HG ARG 38 2HG ARG 38 -16.952 -6.639 2.070 302 2HG ARG 38 1HG ARG 38 -15.591 -7.689 2.471 303 1HD ARG 38 2HD ARG 38 -17.446 -9.564 2.593 304 2HD ARG 38 1HD ARG 38 -18.354 -8.444 1.558 305 HE ARG 38 HE ARG 38 -16.124 -8.401 0.179 306 1HH1 ARG 38 2HH1 ARG 38 -15.424 -10.738 2.238 307 2HH1 ARG 38 1HH1 ARG 38 -15.521 -12.080 1.146 308 1HH2 ARG 38 1HH2 ARG 38 -17.084 -10.268 -1.363 309 2HH2 ARG 38 2HH2 ARG 38 -16.456 -11.813 -0.895 310 H ILE 39 H ILE 39 -17.115 -4.984 5.779 311 HA ILE 39 HA ILE 39 -17.929 -5.969 8.336 312 HB ILE 39 HB ILE 39 -16.928 -3.356 7.205 313 1HG1 ILE 39 2HG1 ILE 39 -15.523 -5.517 7.566 314 2HG1 ILE 39 1HG1 ILE 39 -14.864 -3.988 8.145 315 1HG2 ILE 39 3HG2 ILE 39 -17.548 -3.939 10.117 316 2HG2 ILE 39 2HG2 ILE 39 -16.686 -2.519 9.522 317 3HG2 ILE 39 1HG2 ILE 39 -18.379 -2.763 9.097 318 1HD1 ILE 39 1HD1 ILE 39 -16.564 -5.245 10.151 319 2HD1 ILE 39 3HD1 ILE 39 -15.243 -6.304 9.664 320 3HD1 ILE 39 2HD1 ILE 39 -14.895 -4.693 10.289 321 H GLU 40 H GLU 40 -19.240 -3.455 6.199 322 HA GLU 40 HA GLU 40 -21.404 -2.623 7.898 323 1HB GLU 40 2HB GLU 40 -21.078 -2.649 4.875 324 2HB GLU 40 1HB GLU 40 -22.252 -1.676 5.761 325 1HG GLU 40 2HG GLU 40 -19.598 -1.302 6.859 326 2HG GLU 40 1HG GLU 40 -19.603 -0.963 5.127 327 H ALA 41 H ALA 41 -20.988 -5.181 5.488 328 HA ALA 41 HA ALA 41 -23.683 -6.040 5.225 329 1HB ALA 41 1HB ALA 41 -21.139 -6.823 4.401 330 2HB ALA 41 3HB ALA 41 -21.686 -8.182 5.382 331 3HB ALA 41 2HB ALA 41 -22.642 -7.651 3.999 332 H LEU 42 H LEU 42 -21.225 -6.699 7.686 333 HA LEU 42 HA LEU 42 -22.878 -8.572 9.198 334 1HB LEU 42 2HB LEU 42 -20.326 -7.010 9.666 335 2HB LEU 42 1HB LEU 42 -21.029 -8.004 10.933 336 HG LEU 42 HG LEU 42 -19.679 -9.612 10.035 337 1HD1 LEU 42 2HD1 LEU 42 -21.987 -10.374 9.479 338 2HD1 LEU 42 1HD1 LEU 42 -21.810 -9.656 7.878 339 3HD1 LEU 42 3HD1 LEU 42 -20.776 -11.002 8.361 340 1HD2 LEU 42 1HD2 LEU 42 -19.016 -7.656 8.303 341 2HD2 LEU 42 3HD2 LEU 42 -18.436 -9.314 8.141 342 3HD2 LEU 42 2HD2 LEU 42 -19.819 -8.767 7.193 343 H GLU 43 H GLU 43 -22.286 -5.108 9.149 344 HA GLU 43 HA GLU 43 -23.496 -4.486 11.694 345 1HB GLU 43 2HB GLU 43 -23.149 -2.896 9.131 346 2HB GLU 43 1HB GLU 43 -23.499 -2.203 10.715 347 1HG GLU 43 2HG GLU 43 -21.332 -3.874 11.190 348 2HG GLU 43 1HG GLU 43 -20.964 -3.144 9.629 349 H ASN 44 H ASN 44 -24.742 -5.427 8.643 350 HA ASN 44 HA ASN 44 -27.350 -4.168 8.797 351 1HB ASN 44 2HB ASN 44 -25.993 -6.356 7.248 352 2HB ASN 44 1HB ASN 44 -27.743 -6.181 7.119 353 1HD2 ASN 44 2HD2 ASN 44 -26.073 -4.008 4.530 354 2HD2 ASN 44 1HD2 ASN 44 -25.987 -5.664 4.894 355 H LYS 45 H LYS 45 -25.878 -7.033 10.145 356 HA LYS 45 HA LYS 45 -28.546 -7.916 11.196 357 1HB LYS 45 2HB LYS 45 -25.966 -9.440 10.701 358 2HB LYS 45 1HB LYS 45 -27.455 -10.145 11.332 359 1HG LYS 45 2HG LYS 45 -27.539 -10.608 9.013 360 2HG LYS 45 1HG LYS 45 -28.583 -9.200 9.211 361 1HD LYS 45 2HD LYS 45 -27.220 -7.883 7.979 362 2HD LYS 45 1HD LYS 45 -25.775 -8.478 8.797 363 1HE LYS 45 2HE LYS 45 -25.284 -9.753 6.993 364 2HE LYS 45 1HE LYS 45 -26.834 -10.599 7.168 365 1HZ LYS 45 3HZ LYS 45 -27.892 -8.636 6.101 366 2HZ LYS 45 2HZ LYS 45 -26.344 -8.024 5.769 367 3HZ LYS 45 1HZ LYS 45 -26.850 -9.488 5.070 368 H ILE 46 H ILE 46 -25.569 -6.495 12.031 369 HA ILE 46 HA ILE 46 -25.761 -7.439 14.866 370 HB ILE 46 HB ILE 46 -23.583 -6.029 13.284 371 1HG1 ILE 46 2HG1 ILE 46 -23.350 -8.224 12.588 372 2HG1 ILE 46 1HG1 ILE 46 -22.428 -8.304 14.084 373 1HG2 ILE 46 2HG2 ILE 46 -23.654 -6.977 16.159 374 2HG2 ILE 46 1HG2 ILE 46 -22.196 -6.453 15.319 375 3HG2 ILE 46 3HG2 ILE 46 -23.509 -5.310 15.601 376 1HD1 ILE 46 1HD1 ILE 46 -25.369 -9.012 13.857 377 2HD1 ILE 46 3HD1 ILE 46 -24.052 -10.185 13.854 378 3HD1 ILE 46 2HD1 ILE 46 -24.349 -9.199 15.285 379 H ILE 47 HN ILE 47 -26.472 -4.823 12.791 380 HA ILE 47 HA ILE 47 -25.990 -2.507 14.291 381 HB ILE 47 HB ILE 47 -26.890 -2.339 12.102 382 1HG1 ILE 47 2HG1 ILE 47 -29.188 -1.718 13.984 383 2HG1 ILE 47 1HG1 ILE 47 -27.803 -0.660 13.703 384 1HG2 ILE 47 3HG2 ILE 47 -28.772 -4.404 13.124 385 2HG2 ILE 47 2HG2 ILE 47 -29.415 -3.278 11.928 386 3HG2 ILE 47 1HG2 ILE 47 -28.005 -4.265 11.541 387 1HD1 ILE 47 3HD1 ILE 47 -28.745 -1.336 11.143 388 2HD1 ILE 47 2HD1 ILE 47 -30.191 -1.003 12.095 389 3HD1 ILE 47 1HD1 ILE 47 -28.925 0.217 11.958 390 1H GLY 1 2H GLY 1 25.610 27.971 -16.371 391 2H GLY 1 1H GLY 1 24.530 28.850 -15.398 392 3H GLY 1 3H GLY 1 25.962 28.236 -14.729 393 1HA GLY 1 2HA GLY 1 24.607 26.606 -14.004 394 2HA GLY 1 1HA GLY 1 23.449 26.886 -15.305 395 H SER 2 H SER 2 23.435 25.392 -16.912 396 HA SER 2 HA SER 2 24.095 23.484 -18.154 397 1HB SER 2 2HB SER 2 26.010 25.617 -18.277 398 2HB SER 2 1HB SER 2 26.880 24.087 -18.337 399 HG SER 2 HG SER 2 26.292 24.453 -20.401 400 H HIS 3 H HIS 3 23.821 22.482 -15.752 401 HA HIS 3 HA HIS 3 26.437 21.379 -14.827 402 1HB HIS 3 2HB HIS 3 24.136 22.416 -13.570 403 2HB HIS 3 1HB HIS 3 24.105 20.682 -13.250 404 HD1 HIS 3 HD1 HIS 3 24.873 23.051 -11.172 405 HD2 HIS 3 HD2 HIS 3 27.509 20.448 -13.085 406 HE1 HIS 3 HE1 HIS 3 26.973 22.991 -9.758 407 H MET 4 H MET 4 23.101 20.072 -14.940 408 HA MET 4 HA MET 4 24.264 17.528 -16.026 409 1HB MET 4 2HB MET 4 22.125 18.211 -14.027 410 2HB MET 4 1HB MET 4 22.048 16.669 -14.883 411 1HG MET 4 2HG MET 4 23.839 15.818 -13.768 412 2HG MET 4 1HG MET 4 24.715 17.346 -13.817 413 1HE MET 4 3HE MET 4 23.176 14.825 -12.140 414 2HE MET 4 2HE MET 4 24.354 15.292 -10.915 415 3HE MET 4 1HE MET 4 22.632 15.343 -10.539 416 H GLU 5 H GLU 5 23.133 19.967 -17.474 417 HA GLU 5 HA GLU 5 21.747 20.358 -19.349 418 1HB GLU 5 2HB GLU 5 23.009 18.017 -19.656 419 2HB GLU 5 1HB GLU 5 21.357 17.405 -19.597 420 1HG GLU 5 2HG GLU 5 21.207 17.935 -21.786 421 2HG GLU 5 1HG GLU 5 21.190 19.624 -21.278 422 H GLU 6 H GLU 6 20.193 20.956 -17.380 423 HA GLU 6 HA GLU 6 17.970 20.968 -16.574 424 1HB GLU 6 2HB GLU 6 17.569 19.346 -19.108 425 2HB GLU 6 1HB GLU 6 16.335 20.277 -18.261 426 1HG GLU 6 2HG GLU 6 18.086 22.250 -18.593 427 2HG GLU 6 1HG GLU 6 18.616 21.241 -19.939 428 H ASP 7 H ASP 7 16.055 19.318 -16.114 429 HA ASP 7 HA ASP 7 16.785 17.386 -14.292 430 1HB ASP 7 2HB ASP 7 14.492 18.281 -14.968 431 2HB ASP 7 1HB ASP 7 14.505 17.077 -16.258 432 HA PRO 8 HA PRO 8 18.804 14.565 -17.169 433 1HB PRO 8 2HB PRO 8 20.182 13.205 -15.233 434 2HB PRO 8 1HB PRO 8 20.725 14.757 -15.901 435 1HG PRO 8 2HG PRO 8 19.396 14.175 -13.315 436 2HG PRO 8 1HG PRO 8 20.612 15.395 -13.716 437 1HD PRO 8 2HD PRO 8 17.914 15.896 -13.416 438 2HD PRO 8 1HD PRO 8 19.048 16.927 -14.314 439 H CYS 9 H CYS 9 18.028 13.121 -13.976 440 HA CYS 9 HA CYS 9 16.178 11.227 -15.363 441 1HB CYS 9 2HB CYS 9 18.671 10.784 -13.786 442 2HB CYS 9 1HB CYS 9 17.353 9.631 -13.552 443 H GLU 10 H GLU 10 15.073 13.322 -14.021 444 HA GLU 10 HA GLU 10 13.832 13.986 -12.106 445 1HB GLU 10 2HB GLU 10 13.331 11.054 -12.616 446 2HB GLU 10 1HB GLU 10 12.420 11.943 -11.395 447 1HG GLU 10 2HG GLU 10 11.095 12.823 -12.981 448 2HG GLU 10 1HG GLU 10 12.499 13.508 -13.799 449 H CYS 11 H CYS 11 16.428 13.780 -11.214 450 HA CYS 11 HA CYS 11 17.092 11.882 -9.273 451 1HB CYS 11 2HB CYS 11 17.688 14.754 -9.812 452 2HB CYS 11 1HB CYS 11 18.182 14.110 -8.243 453 H LYS 12 H LYS 12 14.862 14.592 -9.067 454 HA LYS 12 HA LYS 12 14.255 13.827 -6.229 455 1HB LYS 12 2HB LYS 12 14.325 16.424 -7.753 456 2HB LYS 12 1HB LYS 12 13.327 16.280 -6.305 457 1HG LYS 12 2HG LYS 12 15.137 16.517 -4.996 458 2HG LYS 12 1HG LYS 12 15.910 15.137 -5.776 459 1HD LYS 12 2HD LYS 12 17.114 16.453 -7.226 460 2HD LYS 12 1HD LYS 12 15.867 17.698 -7.298 461 1HE LYS 12 2HE LYS 12 16.567 17.968 -4.706 462 2HE LYS 12 1HE LYS 12 18.110 17.387 -5.362 463 1HZ LYS 12 3HZ LYS 12 17.571 19.042 -7.260 464 2HZ LYS 12 2HZ LYS 12 16.564 19.781 -6.106 465 3HZ LYS 12 1HZ LYS 12 18.230 19.631 -5.812 466 H SER 13 H SER 13 13.060 13.924 -9.433 467 HA SER 13 HA SER 13 10.233 14.292 -8.761 468 1HB SER 13 2HB SER 13 11.946 13.753 -11.140 469 2HB SER 13 1HB SER 13 10.254 13.287 -11.265 470 HG SER 13 HG SER 13 11.360 15.835 -10.692 471 H ILE 14 H ILE 14 12.446 11.601 -9.180 472 HA ILE 14 HA ILE 14 10.350 9.548 -9.219 473 HB ILE 14 HB ILE 14 13.372 9.595 -8.998 474 1HG1 ILE 14 2HG1 ILE 14 11.704 8.451 -11.224 475 2HG1 ILE 14 1HG1 ILE 14 12.023 10.180 -11.149 476 1HG2 ILE 14 3HG2 ILE 14 12.350 7.602 -7.825 477 2HG2 ILE 14 2HG2 ILE 14 11.616 7.150 -9.363 478 3HG2 ILE 14 1HG2 ILE 14 13.372 7.185 -9.201 479 1HD1 ILE 14 2HD1 ILE 14 14.204 8.086 -11.031 480 2HD1 ILE 14 1HD1 ILE 14 13.696 8.876 -12.523 481 3HD1 ILE 14 3HD1 ILE 14 14.406 9.828 -11.219 482 H VAL 15 H VAL 15 12.759 10.808 -6.943 483 HA VAL 15 HA VAL 15 11.938 9.054 -4.762 484 HB VAL 15 HB VAL 15 13.426 11.655 -4.436 485 1HG1 VAL 15 2HG1 VAL 15 13.514 8.878 -3.248 486 2HG1 VAL 15 1HG1 VAL 15 14.836 10.020 -3.012 487 3HG1 VAL 15 3HG1 VAL 15 13.219 10.409 -2.425 488 1HG2 VAL 15 3HG2 VAL 15 14.343 9.194 -5.933 489 2HG2 VAL 15 2HG2 VAL 15 14.510 10.886 -6.402 490 3HG2 VAL 15 1HG2 VAL 15 15.500 10.232 -5.101 491 H LYS 16 H LYS 16 10.883 12.038 -6.131 492 HA LYS 16 HA LYS 16 9.526 13.102 -3.773 493 1HB LYS 16 2HB LYS 16 10.040 14.678 -5.461 494 2HB LYS 16 1HB LYS 16 9.545 13.587 -6.755 495 1HG LYS 16 2HG LYS 16 7.922 15.467 -6.332 496 2HG LYS 16 1HG LYS 16 7.208 13.862 -6.176 497 1HD LYS 16 2HD LYS 16 6.829 14.115 -3.950 498 2HD LYS 16 1HD LYS 16 8.386 14.899 -3.684 499 1HE LYS 16 2HE LYS 16 6.823 16.696 -5.247 500 2HE LYS 16 1HE LYS 16 5.804 16.138 -3.905 501 1HZ LYS 16 2HZ LYS 16 7.719 16.530 -2.414 502 2HZ LYS 16 1HZ LYS 16 8.559 17.236 -3.712 503 3HZ LYS 16 3HZ LYS 16 7.137 17.956 -3.131 504 H PHE 17 H PHE 17 8.663 11.236 -6.664 505 HA PHE 17 HA PHE 17 5.879 10.881 -6.084 506 1HB PHE 17 2HB PHE 17 6.482 10.285 -8.252 507 2HB PHE 17 1HB PHE 17 8.027 9.608 -7.742 508 HD1 PHE 17 HD2 PHE 17 8.025 7.395 -6.474 509 HD2 PHE 17 HD1 PHE 17 4.592 8.892 -8.571 510 HE1 PHE 17 HE2 PHE 17 7.041 5.120 -6.480 511 HE2 PHE 17 HE1 PHE 17 3.608 6.619 -8.576 512 HZ PHE 17 HZ PHE 17 4.829 4.732 -7.532 513 H GLN 18 H GLN 18 8.841 9.305 -4.985 514 HA GLN 18 HA GLN 18 7.685 6.977 -3.780 515 1HB GLN 18 2HB GLN 18 10.149 8.658 -3.325 516 2HB GLN 18 1HB GLN 18 9.819 7.250 -2.317 517 1HG GLN 18 2HG GLN 18 9.541 5.927 -4.482 518 2HG GLN 18 1HG GLN 18 10.228 7.324 -5.312 519 1HE2 GLN 18 2HE2 GLN 18 13.147 6.579 -2.792 520 2HE2 GLN 18 1HE2 GLN 18 11.828 7.610 -2.526 521 H THR 19 H THR 19 8.342 10.227 -2.460 522 HA THR 19 HA THR 19 7.434 9.754 0.205 523 HB THR 19 HB THR 19 7.547 12.154 -1.634 524 HG1 THR 19 HG1 THR 19 9.360 10.966 -0.417 525 1HG2 THR 19 1HG2 THR 19 6.505 11.986 1.196 526 2HG2 THR 19 3HG2 THR 19 7.150 13.482 0.523 527 3HG2 THR 19 2HG2 THR 19 5.734 12.726 -0.207 528 H LYS 20 H LYS 20 5.676 10.476 -2.791 529 HA LYS 20 HA LYS 20 3.099 10.958 -1.585 530 1HB LYS 20 2HB LYS 20 4.293 10.430 -4.242 531 2HB LYS 20 1HB LYS 20 2.614 9.915 -4.084 532 1HG LYS 20 2HG LYS 20 2.878 12.487 -2.854 533 2HG LYS 20 1HG LYS 20 3.605 12.564 -4.459 534 1HD LYS 20 2HD LYS 20 1.494 12.809 -5.238 535 2HD LYS 20 1HD LYS 20 1.293 11.091 -4.887 536 1HE LYS 20 2HE LYS 20 0.724 11.899 -2.461 537 2HE LYS 20 1HE LYS 20 0.423 13.464 -3.243 538 1HZ LYS 20 1HZ LYS 20 -0.676 10.922 -4.298 539 2HZ LYS 20 3HZ LYS 20 -1.524 11.872 -3.175 540 3HZ LYS 20 2HZ LYS 20 -1.132 12.509 -4.701 541 H VAL 21 H VAL 21 4.908 8.109 -2.540 542 HA VAL 21 HA VAL 21 2.696 6.230 -2.161 543 HB VAL 21 HB VAL 21 5.605 6.230 -2.837 544 1HG1 VAL 21 1HG1 VAL 21 4.162 3.809 -1.718 545 2HG1 VAL 21 3HG1 VAL 21 5.677 3.729 -2.618 546 3HG1 VAL 21 2HG1 VAL 21 5.616 4.568 -1.069 547 1HG2 VAL 21 2HG2 VAL 21 3.032 5.130 -3.926 548 2HG2 VAL 21 1HG2 VAL 21 4.239 6.137 -4.726 549 3HG2 VAL 21 3HG2 VAL 21 4.562 4.426 -4.451 550 H GLU 22 H GLU 22 5.021 7.847 -0.197 551 HA GLU 22 HA GLU 22 5.121 5.932 1.992 552 1HB GLU 22 2HB GLU 22 5.996 8.720 1.360 553 2HB GLU 22 1HB GLU 22 5.919 8.269 3.061 554 1HG GLU 22 2HG GLU 22 7.148 6.076 1.955 555 2HG GLU 22 1HG GLU 22 7.797 7.389 0.972 556 H GLU 23 H GLU 23 3.415 9.023 1.415 557 HA GLU 23 HA GLU 23 1.921 8.935 3.897 558 1HB GLU 23 2HB GLU 23 1.267 10.376 1.310 559 2HB GLU 23 1HB GLU 23 0.810 10.859 2.945 560 1HG GLU 23 2HG GLU 23 3.552 10.647 3.145 561 2HG GLU 23 1HG GLU 23 3.344 11.277 1.511 562 H LEU 24 H LEU 24 1.315 7.871 0.568 563 HA LEU 24 HA LEU 24 -1.467 7.215 0.896 564 1HB LEU 24 2HB LEU 24 0.178 7.442 -1.180 565 2HB LEU 24 1HB LEU 24 0.378 5.708 -0.929 566 HG LEU 24 HG LEU 24 -2.021 5.354 -1.136 567 1HD1 LEU 24 1HD1 LEU 24 -2.055 8.361 -1.093 568 2HD1 LEU 24 3HD1 LEU 24 -3.345 7.483 -1.916 569 3HD1 LEU 24 2HD1 LEU 24 -3.062 7.226 -0.195 570 1HD2 LEU 24 3HD2 LEU 24 -0.950 7.171 -3.319 571 2HD2 LEU 24 2HD2 LEU 24 -0.712 5.428 -3.219 572 3HD2 LEU 24 1HD2 LEU 24 -2.326 6.083 -3.488 573 H ILE 25 H ILE 25 1.508 5.233 1.116 574 HA ILE 25 HA ILE 25 0.284 2.755 1.749 575 HB ILE 25 HB ILE 25 2.904 4.051 1.835 576 1HG1 ILE 25 2HG1 ILE 25 3.626 1.973 0.931 577 2HG1 ILE 25 1HG1 ILE 25 2.276 1.099 1.654 578 1HG2 ILE 25 2HG2 ILE 25 2.695 3.550 4.273 579 2HG2 ILE 25 1HG2 ILE 25 2.415 1.857 3.873 580 3HG2 ILE 25 3HG2 ILE 25 3.966 2.609 3.493 581 1HD1 ILE 25 2HD1 ILE 25 1.405 3.282 -0.094 582 2HD1 ILE 25 1HD1 ILE 25 2.359 2.064 -0.941 583 3HD1 ILE 25 3HD1 ILE 25 0.900 1.593 -0.070 584 H ASN 26 H ASN 26 1.107 5.543 3.799 585 HA ASN 26 HA ASN 26 0.547 4.335 6.338 586 1HB ASN 26 2HB ASN 26 1.581 6.660 5.533 587 2HB ASN 26 1HB ASN 26 -0.083 7.205 5.741 588 1HD2 ASN 26 2HD2 ASN 26 2.190 6.362 9.013 589 2HD2 ASN 26 1HD2 ASN 26 2.785 6.083 7.449 590 H THR 27 H THR 27 -1.477 6.106 4.025 591 HA THR 27 HA THR 27 -3.908 6.136 5.515 592 HB THR 27 HB THR 27 -3.211 6.103 2.567 593 HG1 THR 27 HG1 THR 27 -2.759 7.877 4.214 594 1HG2 THR 27 1HG2 THR 27 -5.852 6.126 3.949 595 2HG2 THR 27 3HG2 THR 27 -5.648 7.212 2.575 596 3HG2 THR 27 2HG2 THR 27 -5.417 5.475 2.369 597 H LEU 28 H LEU 28 -2.429 3.655 3.455 598 HA LEU 28 HA LEU 28 -4.759 1.933 3.332 599 1HB LEU 28 2HB LEU 28 -1.804 1.735 2.794 600 2HB LEU 28 1HB LEU 28 -2.787 0.270 2.776 601 HG LEU 28 HG LEU 28 -3.873 2.600 1.285 602 1HD1 LEU 28 3HD1 LEU 28 -1.234 1.383 0.731 603 2HD1 LEU 28 2HD1 LEU 28 -2.323 1.467 -0.652 604 3HD1 LEU 28 1HD1 LEU 28 -1.888 2.937 0.217 605 1HD2 LEU 28 3HD2 LEU 28 -4.060 -0.312 1.367 606 2HD2 LEU 28 2HD2 LEU 28 -5.198 0.863 0.710 607 3HD2 LEU 28 1HD2 LEU 28 -3.855 0.290 -0.279 608 H GLN 29 H GLN 29 -1.830 2.008 5.355 609 HA GLN 29 HA GLN 29 -2.533 -0.284 6.973 610 1HB GLN 29 2HB GLN 29 -0.296 1.073 6.504 611 2HB GLN 29 1HB GLN 29 -0.824 2.003 7.904 612 1HG GLN 29 2HG GLN 29 -1.094 -0.213 9.126 613 2HG GLN 29 1HG GLN 29 -0.253 -0.963 7.770 614 1HE2 GLN 29 2HE2 GLN 29 2.892 -0.080 9.046 615 2HE2 GLN 29 1HE2 GLN 29 1.958 -1.134 8.098 616 H GLN 30 H GLN 30 -3.702 2.900 6.760 617 HA GLN 30 HA GLN 30 -4.495 3.209 9.574 618 1HB GLN 30 2HB GLN 30 -4.834 4.695 6.967 619 2HB GLN 30 1HB GLN 30 -5.728 5.197 8.402 620 1HG GLN 30 2HG GLN 30 -2.970 4.707 9.083 621 2HG GLN 30 1HG GLN 30 -3.062 5.844 7.739 622 1HE2 GLN 30 2HE2 GLN 30 -3.425 7.674 11.042 623 2HE2 GLN 30 1HE2 GLN 30 -2.266 6.576 10.465 624 H LYS 31 H LYS 31 -6.160 2.830 6.438 625 HA LYS 31 HA LYS 31 -8.768 2.404 7.558 626 1HB LYS 31 2HB LYS 31 -7.342 2.099 4.954 627 2HB LYS 31 1HB LYS 31 -8.867 1.227 5.128 628 1HG LYS 31 2HG LYS 31 -8.532 4.180 5.725 629 2HG LYS 31 1HG LYS 31 -9.127 3.548 4.190 630 1HD LYS 31 2HD LYS 31 -11.067 2.638 5.183 631 2HD LYS 31 1HD LYS 31 -10.395 2.759 6.807 632 1HE LYS 31 2HE LYS 31 -10.451 5.241 6.637 633 2HE LYS 31 1HE LYS 31 -11.201 5.093 5.035 634 1HZ LYS 31 1HZ LYS 31 -12.926 3.689 6.075 635 2HZ LYS 31 3HZ LYS 31 -12.261 4.029 7.597 636 3HZ LYS 31 2HZ LYS 31 -12.930 5.282 6.665 637 H LEU 32 H LEU 32 -5.963 0.420 7.219 638 HA LEU 32 HA LEU 32 -7.344 -2.158 7.327 639 1HB LEU 32 2HB LEU 32 -4.982 -1.397 6.400 640 2HB LEU 32 1HB LEU 32 -4.470 -1.681 8.063 641 HG LEU 32 HG LEU 32 -5.286 -3.973 7.971 642 1HD1 LEU 32 2HD1 LEU 32 -6.336 -3.080 5.283 643 2HD1 LEU 32 1HD1 LEU 32 -6.055 -4.786 5.632 644 3HD1 LEU 32 3HD1 LEU 32 -7.211 -3.866 6.597 645 1HD2 LEU 32 1HD2 LEU 32 -3.464 -2.994 5.793 646 2HD2 LEU 32 3HD2 LEU 32 -3.075 -3.944 7.226 647 3HD2 LEU 32 2HD2 LEU 32 -3.886 -4.704 5.857 648 H GLU 33 H GLU 33 -5.401 -0.179 9.595 649 HA GLU 33 HA GLU 33 -5.814 -1.907 11.874 650 1HB GLU 33 2HB GLU 33 -3.951 -0.362 11.763 651 2HB GLU 33 1HB GLU 33 -5.038 1.005 11.514 652 1HG GLU 33 2HG GLU 33 -4.440 1.093 13.817 653 2HG GLU 33 1HG GLU 33 -6.066 0.410 13.784 654 H ALA 34 H ALA 34 -7.803 0.340 10.235 655 HA ALA 34 HA ALA 34 -9.550 0.897 12.560 656 1HB ALA 34 3HB ALA 34 -9.151 1.846 9.761 657 2HB ALA 34 2HB ALA 34 -10.800 1.930 10.381 658 3HB ALA 34 1HB ALA 34 -9.499 2.779 11.216 659 H VAL 35 H VAL 35 -9.387 -0.922 9.561 660 HA VAL 35 HA VAL 35 -12.049 -1.952 9.487 661 HB VAL 35 HB VAL 35 -9.345 -2.559 8.393 662 1HG1 VAL 35 1HG1 VAL 35 -11.350 -4.655 8.939 663 2HG1 VAL 35 3HG1 VAL 35 -10.755 -4.616 7.286 664 3HG1 VAL 35 2HG1 VAL 35 -9.625 -4.800 8.618 665 1HG2 VAL 35 1HG2 VAL 35 -12.124 -2.375 7.197 666 2HG2 VAL 35 3HG2 VAL 35 -10.915 -1.092 7.215 667 3HG2 VAL 35 2HG2 VAL 35 -10.633 -2.556 6.273 668 H ALA 36 H ALA 36 -9.051 -3.082 11.057 669 HA ALA 36 HA ALA 36 -10.080 -5.530 12.120 670 1HB ALA 36 3HB ALA 36 -7.731 -3.885 12.237 671 2HB ALA 36 2HB ALA 36 -8.170 -4.332 13.885 672 3HB ALA 36 1HB ALA 36 -7.886 -5.585 12.677 673 H LYS 37 H LYS 37 -10.318 -2.170 13.156 674 HA LYS 37 HA LYS 37 -11.298 -2.707 15.831 675 1HB LYS 37 2HB LYS 37 -10.792 -0.474 14.023 676 2HB LYS 37 1HB LYS 37 -12.277 -0.230 14.942 677 1HG LYS 37 2HG LYS 37 -11.176 -0.068 16.942 678 2HG LYS 37 1HG LYS 37 -9.946 -1.244 16.479 679 1HD LYS 37 2HD LYS 37 -8.885 0.436 15.015 680 2HD LYS 37 1HD LYS 37 -10.114 1.614 15.476 681 1HE LYS 37 2HE LYS 37 -8.596 2.200 17.093 682 2HE LYS 37 1HE LYS 37 -9.215 0.766 17.936 683 1HZ LYS 37 1HZ LYS 37 -7.551 -0.398 16.259 684 2HZ LYS 37 3HZ LYS 37 -6.752 1.091 16.401 685 3HZ LYS 37 2HZ LYS 37 -7.049 0.153 17.786 686 H ARG 38 H ARG 38 -12.809 -2.296 12.663 687 HA ARG 38 HA ARG 38 -15.541 -2.237 13.640 688 1HB ARG 38 2HB ARG 38 -14.406 -2.973 10.922 689 2HB ARG 38 1HB ARG 38 -16.042 -2.409 11.259 690 1HG ARG 38 2HG ARG 38 -13.829 -0.672 12.215 691 2HG ARG 38 1HG ARG 38 -14.071 -0.746 10.468 692 1HD ARG 38 2HD ARG 38 -16.612 -0.410 11.095 693 2HD ARG 38 1HD ARG 38 -15.940 0.266 12.591 694 HE ARG 38 HE ARG 38 -14.428 1.607 10.884 695 1HH1 ARG 38 2HH1 ARG 38 -16.617 0.371 8.915 696 2HH1 ARG 38 1HH1 ARG 38 -17.506 1.817 8.577 697 1HH2 ARG 38 1HH2 ARG 38 -16.056 3.628 11.157 698 2HH2 ARG 38 2HH2 ARG 38 -17.186 3.664 9.845 699 H ILE 39 H ILE 39 -13.323 -4.726 12.463 700 HA ILE 39 HA ILE 39 -15.177 -6.896 12.310 701 HB ILE 39 HB ILE 39 -12.204 -6.564 12.694 702 1HG1 ILE 39 2HG1 ILE 39 -13.566 -6.273 10.470 703 2HG1 ILE 39 1HG1 ILE 39 -12.061 -7.187 10.437 704 1HG2 ILE 39 3HG2 ILE 39 -13.769 -9.157 12.691 705 2HG2 ILE 39 2HG2 ILE 39 -12.033 -9.067 12.389 706 3HG2 ILE 39 1HG2 ILE 39 -12.686 -8.564 13.949 707 1HD1 ILE 39 1HD1 ILE 39 -14.354 -8.868 11.116 708 2HD1 ILE 39 3HD1 ILE 39 -14.535 -8.090 9.545 709 3HD1 ILE 39 2HD1 ILE 39 -13.127 -9.095 9.872 710 H GLU 40 H GLU 40 -13.122 -5.632 14.924 711 HA GLU 40 HA GLU 40 -13.831 -7.590 16.912 712 1HB GLU 40 2HB GLU 40 -13.013 -4.669 17.149 713 2HB GLU 40 1HB GLU 40 -12.937 -5.859 18.449 714 1HG GLU 40 2HG GLU 40 -11.602 -6.896 16.112 715 2HG GLU 40 1HG GLU 40 -10.949 -5.308 16.515 716 H ALA 41 H ALA 41 -15.236 -4.550 15.802 717 HA ALA 41 HA ALA 41 -17.189 -4.132 17.822 718 1HB ALA 41 1HB ALA 41 -16.440 -3.084 15.327 719 2HB ALA 41 3HB ALA 41 -18.116 -3.585 15.110 720 3HB ALA 41 2HB ALA 41 -17.696 -2.444 16.386 721 H LEU 42 H LEU 42 -17.159 -6.228 14.969 722 HA LEU 42 HA LEU 42 -19.893 -7.192 15.338 723 1HB LEU 42 2HB LEU 42 -17.481 -8.002 13.693 724 2HB LEU 42 1HB LEU 42 -18.964 -8.943 13.662 725 HG LEU 42 HG LEU 42 -19.484 -7.566 11.918 726 1HD1 LEU 42 2HD1 LEU 42 -21.066 -6.874 13.718 727 2HD1 LEU 42 1HD1 LEU 42 -19.969 -5.557 14.136 728 3HD1 LEU 42 3HD1 LEU 42 -20.751 -5.584 12.555 729 1HD2 LEU 42 1HD2 LEU 42 -17.081 -6.443 12.541 730 2HD2 LEU 42 3HD2 LEU 42 -18.130 -5.876 11.241 731 3HD2 LEU 42 2HD2 LEU 42 -18.170 -5.083 12.815 732 H GLU 43 H GLU 43 -16.653 -8.139 16.335 733 HA GLU 43 HA GLU 43 -17.283 -10.798 17.257 734 1HB GLU 43 2HB GLU 43 -15.177 -8.778 18.112 735 2HB GLU 43 1HB GLU 43 -15.111 -10.512 18.427 736 1HG GLU 43 2HG GLU 43 -15.604 -10.370 15.702 737 2HG GLU 43 1HG GLU 43 -14.474 -9.050 15.986 738 H ASN 44 H ASN 44 -17.990 -7.657 18.441 739 HA ASN 44 HA ASN 44 -18.181 -8.269 21.273 740 1HB ASN 44 2HB ASN 44 -19.138 -6.110 19.391 741 2HB ASN 44 1HB ASN 44 -19.650 -6.109 21.080 742 1HD2 ASN 44 2HD2 ASN 44 -16.441 -4.152 20.734 743 2HD2 ASN 44 1HD2 ASN 44 -17.961 -4.040 19.983 744 H LYS 45 H LYS 45 -20.231 -8.667 18.483 745 HA LYS 45 HA LYS 45 -22.487 -9.541 20.248 746 1HB LYS 45 2HB LYS 45 -22.423 -8.515 17.388 747 2HB LYS 45 1HB LYS 45 -23.883 -9.001 18.250 748 1HG LYS 45 2HG LYS 45 -23.788 -6.642 18.513 749 2HG LYS 45 1HG LYS 45 -23.192 -7.287 20.042 750 1HD LYS 45 2HD LYS 45 -21.120 -6.441 19.719 751 2HD LYS 45 1HD LYS 45 -21.084 -6.953 18.031 752 1HE LYS 45 2HE LYS 45 -21.550 -4.842 17.353 753 2HE LYS 45 1HE LYS 45 -23.007 -4.812 18.364 754 1HZ LYS 45 3HZ LYS 45 -21.510 -4.457 20.301 755 2HZ LYS 45 2HZ LYS 45 -20.218 -4.253 19.217 756 3HZ LYS 45 1HZ LYS 45 -21.522 -3.165 19.203 757 H ILE 46 H ILE 46 -20.044 -10.620 18.140 758 HA ILE 46 HA ILE 46 -21.585 -13.081 17.409 759 HB ILE 46 HB ILE 46 -19.011 -11.853 16.356 760 1HG1 ILE 46 2HG1 ILE 46 -20.627 -10.552 15.329 761 2HG1 ILE 46 1HG1 ILE 46 -20.612 -11.915 14.216 762 1HG2 ILE 46 2HG2 ILE 46 -20.392 -14.457 15.819 763 2HG2 ILE 46 1HG2 ILE 46 -19.532 -13.653 14.507 764 3HG2 ILE 46 3HG2 ILE 46 -18.669 -14.115 15.973 765 1HD1 ILE 46 1HD1 ILE 46 -22.517 -11.689 16.563 766 2HD1 ILE 46 3HD1 ILE 46 -22.922 -11.214 14.917 767 3HD1 ILE 46 2HD1 ILE 46 -22.553 -12.898 15.283 768 H ILE 47 HN ILE 47 -19.244 -11.868 19.571 769 HA ILE 47 HA ILE 47 -17.377 -13.954 19.886 770 HB ILE 47 HB ILE 47 -17.110 -11.951 21.131 771 1HG1 ILE 47 2HG1 ILE 47 -18.136 -14.012 23.112 772 2HG1 ILE 47 1HG1 ILE 47 -16.513 -13.996 22.420 773 1HG2 ILE 47 3HG2 ILE 47 -19.986 -12.419 21.864 774 2HG2 ILE 47 2HG2 ILE 47 -18.973 -11.430 22.916 775 3HG2 ILE 47 1HG2 ILE 47 -19.221 -10.959 21.234 776 1HD1 ILE 47 3HD1 ILE 47 -17.090 -11.383 23.451 777 2HD1 ILE 47 2HD1 ILE 47 -17.448 -12.573 24.702 778 3HD1 ILE 47 1HD1 ILE 47 -15.842 -12.515 23.975 779 1H GLY 1 2H GLY 1 40.000 8.134 -7.272 780 2H GLY 1 1H GLY 1 40.006 7.013 -5.996 781 3H GLY 1 3H GLY 1 39.941 6.467 -7.599 782 1HA GLY 1 2HA GLY 1 37.747 6.329 -7.274 783 2HA GLY 1 1HA GLY 1 37.822 7.411 -5.883 784 H SER 2 H SER 2 36.829 9.336 -6.205 785 HA SER 2 HA SER 2 35.858 11.166 -7.345 786 1HB SER 2 2HB SER 2 38.595 10.827 -7.995 787 2HB SER 2 1HB SER 2 37.782 11.254 -9.497 788 HG SER 2 HG SER 2 38.126 13.181 -8.593 789 H HIS 3 H HIS 3 34.304 9.181 -8.007 790 HA HIS 3 HA HIS 3 34.353 8.790 -10.966 791 1HB HIS 3 2HB HIS 3 33.868 7.157 -8.721 792 2HB HIS 3 1HB HIS 3 32.295 7.375 -9.488 793 HD1 HIS 3 HD1 HIS 3 34.118 4.710 -9.542 794 HD2 HIS 3 HD2 HIS 3 33.661 7.467 -12.635 795 HE1 HIS 3 HE1 HIS 3 34.682 3.482 -11.683 796 H MET 4 H MET 4 31.732 9.136 -8.539 797 HA MET 4 HA MET 4 30.362 10.996 -10.456 798 1HB MET 4 2HB MET 4 29.476 8.763 -8.661 799 2HB MET 4 1HB MET 4 28.337 10.059 -9.023 800 1HG MET 4 2HG MET 4 28.110 9.429 -11.202 801 2HG MET 4 1HG MET 4 29.812 8.995 -11.358 802 1HE MET 4 3HE MET 4 26.564 8.193 -11.475 803 2HE MET 4 2HE MET 4 27.169 6.885 -12.488 804 3HE MET 4 1HE MET 4 26.259 6.510 -11.027 805 H GLU 5 H GLU 5 32.279 11.604 -8.164 806 HA GLU 5 HA GLU 5 32.426 13.193 -6.418 807 1HB GLU 5 2HB GLU 5 31.074 14.264 -8.467 808 2HB GLU 5 1HB GLU 5 29.779 14.290 -7.270 809 1HG GLU 5 2HG GLU 5 30.697 16.212 -6.516 810 2HG GLU 5 1HG GLU 5 31.987 15.208 -5.854 811 H GLU 6 H GLU 6 31.772 11.074 -5.130 812 HA GLU 6 HA GLU 6 30.545 10.148 -3.332 813 1HB GLU 6 2HB GLU 6 29.621 13.031 -3.136 814 2HB GLU 6 1HB GLU 6 29.662 11.853 -1.824 815 1HG GLU 6 2HG GLU 6 32.221 11.679 -2.546 816 2HG GLU 6 1HG GLU 6 31.916 13.313 -3.132 817 H ASP 7 H ASP 7 28.160 10.108 -2.404 818 HA ASP 7 HA ASP 7 26.359 9.054 -4.194 819 1HB ASP 7 2HB ASP 7 26.283 9.334 -1.640 820 2HB ASP 7 1HB ASP 7 25.542 10.905 -1.946 821 HA PRO 8 HA PRO 8 25.625 12.786 -6.613 822 1HB PRO 8 2HB PRO 8 24.642 11.459 -8.796 823 2HB PRO 8 1HB PRO 8 26.377 11.649 -8.478 824 1HG PRO 8 2HG PRO 8 24.632 9.288 -8.090 825 2HG PRO 8 1HG PRO 8 26.340 9.372 -8.534 826 1HD PRO 8 2HD PRO 8 25.381 8.762 -6.011 827 2HD PRO 8 1HD PRO 8 27.024 9.333 -6.372 828 H CYS 9 H CYS 9 23.249 10.176 -7.253 829 HA CYS 9 HA CYS 9 21.117 11.952 -6.130 830 1HB CYS 9 2HB CYS 9 21.495 10.712 -8.820 831 2HB CYS 9 1HB CYS 9 19.852 10.786 -8.184 832 H GLU 10 H GLU 10 22.036 10.021 -4.484 833 HA GLU 10 HA GLU 10 21.582 7.924 -3.456 834 1HB GLU 10 2HB GLU 10 18.994 9.306 -4.152 835 2HB GLU 10 1HB GLU 10 18.993 7.805 -3.225 836 1HG GLU 10 2HG GLU 10 19.525 8.936 -1.359 837 2HG GLU 10 1HG GLU 10 20.993 9.537 -2.129 838 H CYS 11 H CYS 11 22.360 7.291 -6.033 839 HA CYS 11 HA CYS 11 20.575 6.037 -7.770 840 1HB CYS 11 2HB CYS 11 23.430 5.704 -6.969 841 2HB CYS 11 1HB CYS 11 22.720 4.441 -7.980 842 H LYS 12 H LYS 12 21.829 4.882 -4.686 843 HA LYS 12 HA LYS 12 20.197 2.387 -5.006 844 1HB LYS 12 2HB LYS 12 22.820 3.065 -3.703 845 2HB LYS 12 1HB LYS 12 21.888 1.690 -3.109 846 1HG LYS 12 2HG LYS 12 22.560 0.431 -4.847 847 2HG LYS 12 1HG LYS 12 21.950 1.631 -5.989 848 1HD LYS 12 2HD LYS 12 24.005 2.609 -6.268 849 2HD LYS 12 1HD LYS 12 24.487 2.311 -4.597 850 1HE LYS 12 2HE LYS 12 24.365 -0.249 -5.494 851 2HE LYS 12 1HE LYS 12 24.835 0.585 -6.989 852 1HZ LYS 12 3HZ LYS 12 26.399 1.871 -5.377 853 2HZ LYS 12 2HZ LYS 12 26.225 0.493 -4.399 854 3HZ LYS 12 1HZ LYS 12 26.864 0.351 -5.967 855 H SER 13 H SER 13 20.471 5.337 -3.320 856 HA SER 13 HA SER 13 19.321 4.430 -0.781 857 1HB SER 13 2HB SER 13 20.233 6.950 -2.086 858 2HB SER 13 1HB SER 13 19.083 7.118 -0.766 859 HG SER 13 HG SER 13 21.597 5.796 -0.743 860 H ILE 14 H ILE 14 18.158 5.742 -3.816 861 HA ILE 14 HA ILE 14 15.450 6.306 -2.838 862 HB ILE 14 HB ILE 14 16.847 6.200 -5.524 863 1HG1 ILE 14 2HG1 ILE 14 15.628 8.619 -4.232 864 2HG1 ILE 14 1HG1 ILE 14 17.195 8.039 -3.674 865 1HG2 ILE 14 3HG2 ILE 14 14.446 5.626 -5.789 866 2HG2 ILE 14 2HG2 ILE 14 14.011 7.106 -4.934 867 3HG2 ILE 14 1HG2 ILE 14 14.826 7.196 -6.495 868 1HD1 ILE 14 2HD1 ILE 14 16.558 8.604 -6.580 869 2HD1 ILE 14 1HD1 ILE 14 17.344 9.761 -5.506 870 3HD1 ILE 14 3HD1 ILE 14 18.138 8.233 -5.889 871 H VAL 15 H VAL 15 17.083 3.865 -4.816 872 HA VAL 15 HA VAL 15 14.679 2.270 -5.251 873 HB VAL 15 HB VAL 15 17.505 1.254 -5.502 874 1HG1 VAL 15 2HG1 VAL 15 14.937 1.009 -7.091 875 2HG1 VAL 15 1HG1 VAL 15 16.486 0.393 -7.665 876 3HG1 VAL 15 3HG1 VAL 15 15.769 -0.260 -6.193 877 1HG2 VAL 15 3HG2 VAL 15 16.205 3.462 -7.111 878 2HG2 VAL 15 2HG2 VAL 15 17.827 3.425 -6.416 879 3HG2 VAL 15 1HG2 VAL 15 17.446 2.424 -7.812 880 H LYS 16 H LYS 16 17.073 2.611 -2.788 881 HA LYS 16 HA LYS 16 16.753 -0.023 -1.567 882 1HB LYS 16 2HB LYS 16 18.761 1.121 -1.047 883 2HB LYS 16 1HB LYS 16 17.929 2.661 -0.826 884 1HG LYS 16 2HG LYS 16 18.674 1.604 1.330 885 2HG LYS 16 1HG LYS 16 16.937 1.896 1.250 886 1HD LYS 16 2HD LYS 16 16.439 -0.320 1.274 887 2HD LYS 16 1HD LYS 16 17.769 -0.726 0.190 888 1HE LYS 16 2HE LYS 16 18.952 0.135 2.630 889 2HE LYS 16 1HE LYS 16 17.666 -1.014 3.051 890 1HZ LYS 16 2HZ LYS 16 18.506 -2.497 1.309 891 2HZ LYS 16 1HZ LYS 16 19.786 -1.422 1.006 892 3HZ LYS 16 3HZ LYS 16 19.679 -2.213 2.503 893 H PHE 17 H PHE 17 15.486 3.258 -1.089 894 HA PHE 17 HA PHE 17 13.748 2.680 1.122 895 1HB PHE 17 2HB PHE 17 14.061 4.954 0.736 896 2HB PHE 17 1HB PHE 17 14.079 4.755 -1.016 897 HD1 PHE 17 HD2 PHE 17 11.890 4.251 -2.211 898 HD2 PHE 17 HD1 PHE 17 12.067 5.559 1.874 899 HE1 PHE 17 HE2 PHE 17 9.500 4.899 -2.319 900 HE2 PHE 17 HE1 PHE 17 9.676 6.205 1.769 901 HZ PHE 17 HZ PHE 17 8.388 5.876 -0.330 902 H GLN 18 H GLN 18 13.510 2.263 -2.376 903 HA GLN 18 HA GLN 18 10.695 1.783 -2.589 904 1HB GLN 18 2HB GLN 18 13.169 0.974 -4.103 905 2HB GLN 18 1HB GLN 18 11.589 0.370 -4.602 906 1HG GLN 18 2HG GLN 18 10.799 2.793 -4.580 907 2HG GLN 18 1HG GLN 18 12.495 3.249 -4.423 908 1HE2 GLN 18 2HE2 GLN 18 12.760 1.184 -7.730 909 2HE2 GLN 18 1HE2 GLN 18 12.999 0.619 -6.150 910 H THR 19 H THR 19 13.415 -0.461 -2.042 911 HA THR 19 HA THR 19 11.923 -2.886 -1.912 912 HB THR 19 HB THR 19 14.482 -1.856 -0.669 913 HG1 THR 19 HG1 THR 19 13.992 -2.570 -2.998 914 1HG2 THR 19 1HG2 THR 19 13.035 -4.423 -0.162 915 2HG2 THR 19 3HG2 THR 19 14.793 -4.464 -0.292 916 3HG2 THR 19 2HG2 THR 19 14.023 -3.458 0.935 917 H LYS 20 H LYS 20 12.503 -0.352 0.501 918 HA LYS 20 HA LYS 20 11.440 -1.767 2.775 919 1HB LYS 20 2HB LYS 20 12.211 0.971 1.969 920 2HB LYS 20 1HB LYS 20 10.955 0.914 3.206 921 1HG LYS 20 2HG LYS 20 12.978 -1.038 3.819 922 2HG LYS 20 1HG LYS 20 13.742 0.531 3.564 923 1HD LYS 20 2HD LYS 20 13.129 1.009 5.687 924 2HD LYS 20 1HD LYS 20 11.491 1.165 5.053 925 1HE LYS 20 2HE LYS 20 11.276 -1.377 5.407 926 2HE LYS 20 1HE LYS 20 12.751 -1.244 6.386 927 1HZ LYS 20 1HZ LYS 20 10.326 0.434 6.754 928 2HZ LYS 20 3HZ LYS 20 10.705 -0.918 7.705 929 3HZ LYS 20 2HZ LYS 20 11.720 0.443 7.726 930 H VAL 21 H VAL 21 10.068 0.125 0.157 931 HA VAL 21 HA VAL 21 7.354 0.202 1.240 932 HB VAL 21 HB VAL 21 8.851 0.974 -1.233 933 1HG1 VAL 21 1HG1 VAL 21 5.863 0.531 -1.108 934 2HG1 VAL 21 3HG1 VAL 21 6.605 1.643 -2.258 935 3HG1 VAL 21 2HG1 VAL 21 6.999 -0.075 -2.312 936 1HG2 VAL 21 2HG2 VAL 21 7.060 2.258 0.810 937 2HG2 VAL 21 1HG2 VAL 21 8.698 2.705 0.333 938 3HG2 VAL 21 3HG2 VAL 21 7.341 3.054 -0.738 939 H GLU 22 H GLU 22 9.317 -2.038 -0.499 940 HA GLU 22 HA GLU 22 7.189 -3.518 -1.819 941 1HB GLU 22 2HB GLU 22 10.114 -3.775 -1.244 942 2HB GLU 22 1HB GLU 22 9.249 -5.230 -1.723 943 1HG GLU 22 2HG GLU 22 8.310 -3.389 -3.535 944 2HG GLU 22 1HG GLU 22 9.983 -2.875 -3.321 945 H GLU 23 H GLU 23 9.156 -4.013 1.123 946 HA GLU 23 HA GLU 23 7.768 -6.411 1.961 947 1HB GLU 23 2HB GLU 23 9.330 -4.404 3.619 948 2HB GLU 23 1HB GLU 23 9.114 -6.123 3.954 949 1HG GLU 23 2HG GLU 23 10.162 -6.184 1.419 950 2HG GLU 23 1HG GLU 23 10.991 -4.790 2.113 951 H LEU 24 H LEU 24 7.399 -2.947 2.657 952 HA LEU 24 HA LEU 24 5.463 -3.219 4.766 953 1HB LEU 24 2HB LEU 24 6.933 -1.221 3.799 954 2HB LEU 24 1HB LEU 24 5.480 -0.913 2.848 955 HG LEU 24 HG LEU 24 4.134 -0.750 4.869 956 1HD1 LEU 24 1HD1 LEU 24 6.664 -1.757 6.129 957 2HD1 LEU 24 3HD1 LEU 24 5.577 -0.743 7.077 958 3HD1 LEU 24 2HD1 LEU 24 5.001 -2.270 6.409 959 1HD2 LEU 24 3HD2 LEU 24 6.728 0.819 5.008 960 2HD2 LEU 24 2HD2 LEU 24 5.238 1.309 4.199 961 3HD2 LEU 24 1HD2 LEU 24 5.293 1.204 5.959 962 H ILE 25 H ILE 25 5.111 -2.636 1.249 963 HA ILE 25 HA ILE 25 2.285 -2.539 1.131 964 HB ILE 25 HB ILE 25 4.592 -2.908 -0.634 965 1HG1 ILE 25 2HG1 ILE 25 3.396 -1.366 -2.007 966 2HG1 ILE 25 1HG1 ILE 25 1.850 -1.810 -1.284 967 1HG2 ILE 25 1HG2 ILE 25 1.978 -4.220 -1.446 968 2HG2 ILE 25 3HG2 ILE 25 3.329 -3.897 -2.531 969 3HG2 ILE 25 2HG2 ILE 25 3.520 -5.043 -1.204 970 1HD1 ILE 25 2HD1 ILE 25 3.815 -0.886 0.690 971 2HD1 ILE 25 1HD1 ILE 25 3.411 0.339 -0.513 972 3HD1 ILE 25 3HD1 ILE 25 2.137 -0.394 0.460 973 H ASN 26 H ASN 26 4.510 -5.313 1.213 974 HA ASN 26 HA ASN 26 2.560 -7.367 0.729 975 1HB ASN 26 2HB ASN 26 5.216 -7.283 0.888 976 2HB ASN 26 1HB ASN 26 4.904 -7.739 2.563 977 1HD2 ASN 26 2HD2 ASN 26 4.298 -10.457 -0.417 978 2HD2 ASN 26 1HD2 ASN 26 4.710 -8.852 -0.784 979 H THR 27 H THR 27 3.717 -5.777 3.677 980 HA THR 27 HA THR 27 2.299 -7.380 5.584 981 HB THR 27 HB THR 27 3.348 -4.541 5.501 982 HG1 THR 27 HG1 THR 27 4.700 -6.521 5.549 983 1HG2 THR 27 1HG2 THR 27 1.856 -5.993 7.666 984 2HG2 THR 27 3HG2 THR 27 3.113 -4.834 8.096 985 3HG2 THR 27 2HG2 THR 27 1.716 -4.311 7.156 986 H LEU 28 H LEU 28 1.364 -4.567 3.636 987 HA LEU 28 HA LEU 28 -1.137 -4.060 5.013 988 1HB LEU 28 2HB LEU 28 0.151 -3.330 2.390 989 2HB LEU 28 1HB LEU 28 -1.538 -2.912 2.677 990 HG LEU 28 HG LEU 28 0.350 -2.264 4.875 991 1HD1 LEU 28 3HD1 LEU 28 0.856 -1.433 2.152 992 2HD1 LEU 28 2HD1 LEU 28 0.429 -0.036 3.139 993 3HD1 LEU 28 1HD1 LEU 28 1.778 -1.068 3.611 994 1HD2 LEU 28 3HD2 LEU 28 -2.224 -1.391 3.755 995 2HD2 LEU 28 2HD2 LEU 28 -1.625 -1.278 5.410 996 3HD2 LEU 28 1HD2 LEU 28 -1.179 -0.049 4.225 997 H GLN 29 H GLN 29 -0.232 -5.852 2.069 998 HA GLN 29 HA GLN 29 -2.921 -6.716 1.439 999 1HB GLN 29 2HB GLN 29 -0.644 -6.557 0.088 1000 2HB GLN 29 1HB GLN 29 -0.421 -8.201 0.681 1001 1HG GLN 29 2HG GLN 29 -2.763 -8.700 -0.210 1002 2HG GLN 29 1HG GLN 29 -2.678 -7.140 -1.031 1003 1HE2 GLN 29 2HE2 GLN 29 -0.800 -8.462 -3.684 1004 2HE2 GLN 29 1HE2 GLN 29 -1.860 -7.263 -3.118 1005 H GLN 30 H GLN 30 -0.656 -7.567 3.830 1006 HA GLN 30 HA GLN 30 -1.472 -10.368 4.166 1007 1HB GLN 30 2HB GLN 30 0.279 -8.358 5.590 1008 2HB GLN 30 1HB GLN 30 -0.063 -9.926 6.319 1009 1HG GLN 30 2HG GLN 30 0.645 -10.249 3.536 1010 2HG GLN 30 1HG GLN 30 1.902 -9.352 4.386 1011 1HE2 GLN 30 2HE2 GLN 30 2.383 -13.103 4.809 1012 2HE2 GLN 30 1HE2 GLN 30 2.125 -12.145 3.431 1013 H LYS 31 H LYS 31 -1.769 -7.355 6.070 1014 HA LYS 31 HA LYS 31 -3.636 -8.383 7.987 1015 1HB LYS 31 2HB LYS 31 -2.594 -5.752 7.028 1016 2HB LYS 31 1HB LYS 31 -4.080 -5.725 7.978 1017 1HG LYS 31 2HG LYS 31 -1.561 -7.160 8.855 1018 2HG LYS 31 1HG LYS 31 -1.979 -5.520 9.357 1019 1HD LYS 31 2HD LYS 31 -3.837 -6.225 10.581 1020 2HD LYS 31 1HD LYS 31 -3.970 -7.741 9.692 1021 1HE LYS 31 2HE LYS 31 -1.845 -8.519 10.745 1022 2HE LYS 31 1HE LYS 31 -1.806 -7.026 11.702 1023 1HZ LYS 31 1HZ LYS 31 -4.107 -7.574 12.429 1024 2HZ LYS 31 3HZ LYS 31 -3.938 -9.092 11.691 1025 3HZ LYS 31 2HZ LYS 31 -2.931 -8.666 12.991 1026 H LEU 32 H LEU 32 -3.921 -7.344 4.708 1027 HA LEU 32 HA LEU 32 -6.780 -6.715 4.799 1028 1HB LEU 32 2HB LEU 32 -4.830 -5.918 3.221 1029 2HB LEU 32 1HB LEU 32 -5.179 -7.408 2.343 1030 HG LEU 32 HG LEU 32 -7.540 -6.724 2.122 1031 1HD1 LEU 32 2HD1 LEU 32 -6.547 -4.355 3.713 1032 2HD1 LEU 32 1HD1 LEU 32 -7.988 -4.248 2.702 1033 3HD1 LEU 32 3HD1 LEU 32 -7.937 -5.389 4.045 1034 1HD2 LEU 32 1HD2 LEU 32 -5.323 -4.943 1.154 1035 2HD2 LEU 32 3HD2 LEU 32 -6.335 -6.058 0.237 1036 3HD2 LEU 32 2HD2 LEU 32 -6.994 -4.517 0.785 1037 H GLU 33 H GLU 33 -4.773 -9.390 3.504 1038 HA GLU 33 HA GLU 33 -6.999 -11.043 2.704 1039 1HB GLU 33 2HB GLU 33 -4.768 -11.336 1.791 1040 2HB GLU 33 1HB GLU 33 -4.095 -11.586 3.403 1041 1HG GLU 33 2HG GLU 33 -4.321 -13.773 2.544 1042 2HG GLU 33 1HG GLU 33 -5.742 -13.572 3.568 1043 H ALA 34 H ALA 34 -5.630 -10.265 5.748 1044 HA ALA 34 HA ALA 34 -6.614 -12.713 7.098 1045 1HB ALA 34 3HB ALA 34 -4.888 -10.351 7.694 1046 2HB ALA 34 2HB ALA 34 -5.758 -11.051 9.059 1047 3HB ALA 34 1HB ALA 34 -4.645 -12.046 8.119 1048 H VAL 35 H VAL 35 -7.268 -9.289 6.701 1049 HA VAL 35 HA VAL 35 -9.365 -8.981 8.618 1050 HB VAL 35 HB VAL 35 -8.341 -7.674 6.136 1051 1HG1 VAL 35 1HG1 VAL 35 -10.828 -7.713 5.832 1052 2HG1 VAL 35 3HG1 VAL 35 -10.984 -6.863 7.368 1053 3HG1 VAL 35 2HG1 VAL 35 -10.169 -6.089 6.010 1054 1HG2 VAL 35 3HG2 VAL 35 -7.459 -7.112 8.368 1055 2HG2 VAL 35 2HG2 VAL 35 -8.264 -5.720 7.643 1056 3HG2 VAL 35 1HG2 VAL 35 -9.079 -6.658 8.895 1057 H ALA 36 H ALA 36 -9.281 -10.106 5.250 1058 HA ALA 36 HA ALA 36 -12.131 -10.342 4.887 1059 1HB ALA 36 3HB ALA 36 -9.688 -10.794 3.474 1060 2HB ALA 36 2HB ALA 36 -10.632 -12.281 3.383 1061 3HB ALA 36 1HB ALA 36 -11.324 -10.762 2.812 1062 H LYS 37 H LYS 37 -9.669 -12.318 6.395 1063 HA LYS 37 HA LYS 37 -11.223 -14.776 6.490 1064 1HB LYS 37 2HB LYS 37 -8.640 -13.702 7.341 1065 2HB LYS 37 1HB LYS 37 -9.329 -14.795 8.541 1066 1HG LYS 37 2HG LYS 37 -9.258 -16.620 7.126 1067 2HG LYS 37 1HG LYS 37 -9.424 -15.633 5.674 1068 1HD LYS 37 2HD LYS 37 -7.128 -14.864 5.870 1069 2HD LYS 37 1HD LYS 37 -6.943 -15.694 7.415 1070 1HE LYS 37 2HE LYS 37 -6.063 -17.359 6.086 1071 2HE LYS 37 1HE LYS 37 -7.774 -17.764 5.830 1072 1HZ LYS 37 1HZ LYS 37 -7.587 -15.847 4.083 1073 2HZ LYS 37 3HZ LYS 37 -5.941 -16.261 4.094 1074 3HZ LYS 37 2HZ LYS 37 -7.107 -17.425 3.680 1075 H ARG 38 H ARG 38 -10.761 -11.986 8.617 1076 HA ARG 38 HA ARG 38 -12.205 -13.104 10.874 1077 1HB ARG 38 2HB ARG 38 -11.656 -10.223 10.083 1078 2HB ARG 38 1HB ARG 38 -12.011 -10.815 11.706 1079 1HG ARG 38 2HG ARG 38 -9.704 -12.018 10.224 1080 2HG ARG 38 1HG ARG 38 -9.505 -10.416 10.938 1081 1HD ARG 38 2HD ARG 38 -10.542 -11.531 13.082 1082 2HD ARG 38 1HD ARG 38 -10.019 -13.043 12.314 1083 HE ARG 38 HE ARG 38 -7.740 -11.801 12.067 1084 1HH1 ARG 38 2HH1 ARG 38 -9.323 -9.634 13.800 1085 2HH1 ARG 38 1HH1 ARG 38 -8.480 -9.837 15.299 1086 1HH2 ARG 38 1HH2 ARG 38 -6.937 -12.787 14.338 1087 2HH2 ARG 38 2HH2 ARG 38 -7.122 -11.615 15.599 1088 H ILE 39 H ILE 39 -13.003 -11.075 8.091 1089 HA ILE 39 HA ILE 39 -15.681 -10.376 8.784 1090 HB ILE 39 HB ILE 39 -14.134 -10.803 6.224 1091 1HG1 ILE 39 2HG1 ILE 39 -13.843 -8.823 7.925 1092 2HG1 ILE 39 1HG1 ILE 39 -13.911 -8.471 6.200 1093 1HG2 ILE 39 3HG2 ILE 39 -17.007 -9.887 6.517 1094 2HG2 ILE 39 2HG2 ILE 39 -16.053 -9.714 5.044 1095 3HG2 ILE 39 1HG2 ILE 39 -16.437 -11.320 5.659 1096 1HD1 ILE 39 1HD1 ILE 39 -16.570 -8.544 7.409 1097 2HD1 ILE 39 3HD1 ILE 39 -15.526 -7.340 8.160 1098 3HD1 ILE 39 2HD1 ILE 39 -15.820 -7.288 6.424 1099 H GLU 40 H GLU 40 -14.331 -13.157 7.017 1100 HA GLU 40 HA GLU 40 -16.824 -14.484 6.501 1101 1HB GLU 40 2HB GLU 40 -14.027 -15.595 6.945 1102 2HB GLU 40 1HB GLU 40 -15.342 -16.422 6.109 1103 1HG GLU 40 2HG GLU 40 -14.911 -13.764 5.013 1104 2HG GLU 40 1HG GLU 40 -13.436 -14.730 4.947 1105 H ALA 41 H ALA 41 -14.586 -14.414 9.236 1106 HA ALA 41 HA ALA 41 -15.624 -16.568 10.776 1107 1HB ALA 41 1HB ALA 41 -13.699 -14.621 11.026 1108 2HB ALA 41 3HB ALA 41 -14.895 -14.077 12.202 1109 3HB ALA 41 2HB ALA 41 -14.192 -15.688 12.341 1110 H LEU 42 H LEU 42 -16.691 -13.220 10.375 1111 HA LEU 42 HA LEU 42 -18.872 -13.413 12.309 1112 1HB LEU 42 2HB LEU 42 -18.059 -11.494 10.107 1113 2HB LEU 42 1HB LEU 42 -19.511 -11.241 11.061 1114 HG LEU 42 HG LEU 42 -18.122 -10.047 12.413 1115 1HD1 LEU 42 2HD1 LEU 42 -18.612 -12.115 13.747 1116 2HD1 LEU 42 1HD1 LEU 42 -17.064 -12.771 13.216 1117 3HD1 LEU 42 3HD1 LEU 42 -17.109 -11.317 14.213 1118 1HD2 LEU 42 1HD2 LEU 42 -16.272 -10.845 10.554 1119 2HD2 LEU 42 3HD2 LEU 42 -15.928 -9.787 11.923 1120 3HD2 LEU 42 2HD2 LEU 42 -15.602 -11.516 12.042 1121 H GLU 43 H GLU 43 -18.430 -13.924 8.853 1122 HA GLU 43 HA GLU 43 -21.221 -14.021 8.131 1123 1HB GLU 43 2HB GLU 43 -18.745 -15.308 6.932 1124 2HB GLU 43 1HB GLU 43 -20.282 -15.084 6.096 1125 1HG GLU 43 2HG GLU 43 -19.746 -12.567 7.111 1126 2HG GLU 43 1HG GLU 43 -18.155 -13.146 6.621 1127 H ASN 44 H ASN 44 -19.156 -16.141 9.851 1128 HA ASN 44 HA ASN 44 -20.458 -18.659 9.221 1129 1HB ASN 44 2HB ASN 44 -18.575 -17.568 11.301 1130 2HB ASN 44 1HB ASN 44 -19.279 -19.170 11.528 1131 1HD2 ASN 44 2HD2 ASN 44 -16.055 -19.319 9.494 1132 2HD2 ASN 44 1HD2 ASN 44 -16.426 -18.520 10.944 1133 H LYS 45 H LYS 45 -21.083 -15.991 11.373 1134 HA LYS 45 HA LYS 45 -23.303 -17.538 12.667 1135 1HB LYS 45 2HB LYS 45 -21.721 -15.108 13.570 1136 2HB LYS 45 1HB LYS 45 -23.014 -15.871 14.496 1137 1HG LYS 45 2HG LYS 45 -21.015 -16.803 15.376 1138 2HG LYS 45 1HG LYS 45 -21.645 -18.041 14.288 1139 1HD LYS 45 2HD LYS 45 -19.887 -17.853 12.877 1140 2HD LYS 45 1HD LYS 45 -19.917 -16.091 12.939 1141 1HE LYS 45 2HE LYS 45 -18.121 -16.131 14.312 1142 2HE LYS 45 1HE LYS 45 -19.064 -17.056 15.499 1143 1HZ LYS 45 3HZ LYS 45 -18.658 -19.031 14.002 1144 2HZ LYS 45 2HZ LYS 45 -17.476 -18.093 13.225 1145 3HZ LYS 45 1HZ LYS 45 -17.314 -18.474 14.871 1146 H ILE 46 H ILE 46 -22.559 -15.027 10.477 1147 HA ILE 46 HA ILE 46 -25.190 -13.673 10.908 1148 HB ILE 46 HB ILE 46 -22.697 -12.943 9.330 1149 1HG1 ILE 46 2HG1 ILE 46 -22.055 -12.419 11.486 1150 2HG1 ILE 46 1HG1 ILE 46 -22.958 -10.955 11.118 1151 1HG2 ILE 46 2HG2 ILE 46 -25.364 -11.566 9.655 1152 2HG2 ILE 46 1HG2 ILE 46 -23.904 -10.677 9.217 1153 3HG2 ILE 46 3HG2 ILE 46 -24.508 -11.956 8.163 1154 1HD1 ILE 46 1HD1 ILE 46 -24.113 -13.383 12.520 1155 2HD1 ILE 46 3HD1 ILE 46 -23.580 -11.913 13.328 1156 3HD1 ILE 46 2HD1 ILE 46 -24.948 -11.863 12.216 1157 H ILE 47 HN ILE 47 -23.580 -15.938 8.921 1158 HA ILE 47 HA ILE 47 -24.601 -15.568 6.336 1159 HB ILE 47 HB ILE 47 -23.064 -17.329 6.788 1160 1HG1 ILE 47 2HG1 ILE 47 -25.773 -18.641 6.398 1161 2HG1 ILE 47 1HG1 ILE 47 -24.792 -17.935 5.111 1162 1HG2 ILE 47 3HG2 ILE 47 -24.993 -17.956 8.986 1163 2HG2 ILE 47 2HG2 ILE 47 -24.022 -19.271 8.325 1164 3HG2 ILE 47 1HG2 ILE 47 -23.232 -17.863 9.035 1165 1HD1 ILE 47 3HD1 ILE 47 -23.083 -19.669 6.556 1166 2HD1 ILE 47 2HD1 ILE 47 -24.587 -20.555 6.302 1167 3HD1 ILE 47 1HD1 ILE 47 -23.707 -19.899 4.922 No H/Q in entry = 1167 Start of MODEL 4 1 1H GLY 1 2H GLY 1 24.834 17.029 -25.196 2 2H GLY 1 1H GLY 1 24.713 18.211 -23.981 3 3H GLY 1 3H GLY 1 26.239 17.660 -24.478 4 1HA GLY 1 2HA GLY 1 25.978 16.481 -22.544 5 2HA GLY 1 1HA GLY 1 24.237 16.325 -22.789 6 H SER 2 H SER 2 23.456 14.650 -24.113 7 HA SER 2 HA SER 2 23.522 12.459 -25.007 8 1HB SER 2 2HB SER 2 24.808 14.271 -26.594 9 2HB SER 2 1HB SER 2 26.087 13.082 -26.358 10 HG SER 2 HG SER 2 24.793 11.526 -27.225 11 H HIS 3 H HIS 3 24.305 12.044 -22.555 12 HA HIS 3 HA HIS 3 27.100 11.134 -22.352 13 1HB HIS 3 2HB HIS 3 25.156 12.099 -20.631 14 2HB HIS 3 1HB HIS 3 25.189 10.377 -20.252 15 HD1 HIS 3 HD1 HIS 3 26.559 10.337 -18.135 16 HD2 HIS 3 HD2 HIS 3 28.385 12.572 -21.142 17 HE1 HIS 3 HE1 HIS 3 28.867 10.934 -17.282 18 H MET 4 H MET 4 24.216 9.840 -23.545 19 HA MET 4 HA MET 4 23.565 7.636 -24.106 20 1HB MET 4 2HB MET 4 26.583 7.498 -23.885 21 2HB MET 4 1HB MET 4 25.614 6.160 -24.504 22 1HG MET 4 2HG MET 4 25.007 7.303 -26.423 23 2HG MET 4 1HG MET 4 25.155 8.883 -25.654 24 1HE MET 4 3HE MET 4 26.074 7.267 -28.321 25 2HE MET 4 2HE MET 4 26.445 8.984 -28.464 26 3HE MET 4 1HE MET 4 27.710 7.790 -28.752 27 H GLU 5 H GLU 5 26.305 6.436 -22.273 28 HA GLU 5 HA GLU 5 26.405 5.199 -20.260 29 1HB GLU 5 2HB GLU 5 24.858 7.442 -19.844 30 2HB GLU 5 1HB GLU 5 23.780 6.147 -19.320 31 1HG GLU 5 2HG GLU 5 24.973 6.575 -17.362 32 2HG GLU 5 1HG GLU 5 25.920 5.265 -18.068 33 H GLU 6 H GLU 6 25.727 3.121 -19.669 34 HA GLU 6 HA GLU 6 23.270 2.093 -21.052 35 1HB GLU 6 2HB GLU 6 26.051 1.169 -20.726 36 2HB GLU 6 1HB GLU 6 24.842 -0.083 -20.439 37 1HG GLU 6 2HG GLU 6 24.497 1.676 -22.833 38 2HG GLU 6 1HG GLU 6 25.733 0.418 -22.896 39 H ASP 7 H ASP 7 21.824 2.463 -19.277 40 HA ASP 7 HA ASP 7 20.791 1.974 -17.206 41 1HB ASP 7 2HB ASP 7 20.819 -0.239 -18.244 42 2HB ASP 7 1HB ASP 7 22.475 -0.503 -17.696 43 HA PRO 8 HA PRO 8 24.767 3.040 -14.997 44 1HB PRO 8 2HB PRO 8 24.100 5.624 -14.388 45 2HB PRO 8 1HB PRO 8 24.930 5.166 -15.888 46 1HG PRO 8 2HG PRO 8 22.067 5.819 -15.433 47 2HG PRO 8 1HG PRO 8 23.105 6.184 -16.818 48 1HD PRO 8 2HD PRO 8 21.259 4.159 -16.773 49 2HD PRO 8 1HD PRO 8 22.699 4.175 -17.814 50 H CYS 9 H CYS 9 21.703 4.658 -14.035 51 HA CYS 9 HA CYS 9 21.889 3.218 -11.412 52 1HB CYS 9 2HB CYS 9 21.609 6.091 -12.171 53 2HB CYS 9 1HB CYS 9 20.718 5.543 -10.748 54 H GLU 10 H GLU 10 20.327 2.078 -13.386 55 HA GLU 10 HA GLU 10 18.098 1.565 -14.025 56 1HB GLU 10 2HB GLU 10 18.201 1.999 -11.045 57 2HB GLU 10 1HB GLU 10 16.701 1.490 -11.821 58 1HG GLU 10 2HG GLU 10 17.540 -0.605 -11.536 59 2HG GLU 10 1HG GLU 10 18.482 -0.221 -12.977 60 H CYS 11 H CYS 11 18.633 4.263 -14.648 61 HA CYS 11 HA CYS 11 17.080 6.289 -13.587 62 1HB CYS 11 2HB CYS 11 18.031 5.493 -16.297 63 2HB CYS 11 1HB CYS 11 16.853 6.807 -16.214 64 H LYS 12 H LYS 12 15.994 3.548 -15.521 65 HA LYS 12 HA LYS 12 13.174 4.533 -15.215 66 1HB LYS 12 2HB LYS 12 14.209 2.648 -17.341 67 2HB LYS 12 1HB LYS 12 12.729 3.607 -17.365 68 1HG LYS 12 2HG LYS 12 15.551 4.714 -17.449 69 2HG LYS 12 1HG LYS 12 14.444 4.617 -18.817 70 1HD LYS 12 2HD LYS 12 13.276 5.936 -16.468 71 2HD LYS 12 1HD LYS 12 14.678 6.782 -17.124 72 1HE LYS 12 2HE LYS 12 13.603 7.316 -19.085 73 2HE LYS 12 1HE LYS 12 12.690 5.794 -19.116 74 1HZ LYS 12 3HZ LYS 12 11.395 6.602 -17.219 75 2HZ LYS 12 2HZ LYS 12 12.223 8.086 -17.280 76 3HZ LYS 12 1HZ LYS 12 11.218 7.615 -18.567 77 H SER 13 H SER 13 15.403 2.161 -14.290 78 HA SER 13 HA SER 13 13.530 -0.095 -14.118 79 1HB SER 13 2HB SER 13 16.375 0.541 -13.499 80 2HB SER 13 1HB SER 13 15.656 -0.804 -12.619 81 HG SER 13 HG SER 13 16.607 -0.839 -15.043 82 H ILE 14 H ILE 14 14.712 2.463 -12.035 83 HA ILE 14 HA ILE 14 13.604 1.343 -9.561 84 HB ILE 14 HB ILE 14 14.845 3.964 -10.437 85 1HG1 ILE 14 2HG1 ILE 14 15.945 2.081 -8.380 86 2HG1 ILE 14 1HG1 ILE 14 16.100 1.665 -10.083 87 1HG2 ILE 14 2HG2 ILE 14 13.223 4.389 -8.614 88 2HG2 ILE 14 1HG2 ILE 14 14.000 3.142 -7.638 89 3HG2 ILE 14 3HG2 ILE 14 14.883 4.609 -8.060 90 1HD1 ILE 14 1HD1 ILE 14 17.111 3.926 -10.487 91 2HD1 ILE 14 3HD1 ILE 14 17.091 4.194 -8.743 92 3HD1 ILE 14 2HD1 ILE 14 18.080 2.903 -9.424 93 H VAL 15 H VAL 15 12.799 3.757 -11.987 94 HA VAL 15 HA VAL 15 10.367 4.664 -10.613 95 HB VAL 15 HB VAL 15 10.992 5.130 -13.520 96 1HG1 VAL 15 2HG1 VAL 15 9.880 6.731 -11.210 97 2HG1 VAL 15 1HG1 VAL 15 10.336 7.484 -12.739 98 3HG1 VAL 15 3HG1 VAL 15 9.064 6.262 -12.702 99 1HG2 VAL 15 2HG2 VAL 15 12.605 6.126 -11.160 100 2HG2 VAL 15 1HG2 VAL 15 13.196 5.405 -12.655 101 3HG2 VAL 15 3HG2 VAL 15 12.524 7.031 -12.670 102 H LYS 16 H LYS 16 11.367 2.178 -12.757 103 HA LYS 16 HA LYS 16 8.804 1.622 -14.017 104 1HB LYS 16 2HB LYS 16 10.698 0.783 -15.147 105 2HB LYS 16 1HB LYS 16 11.482 0.284 -13.648 106 1HG LYS 16 2HG LYS 16 8.942 -1.084 -14.030 107 2HG LYS 16 1HG LYS 16 10.041 -1.363 -15.381 108 1HD LYS 16 2HD LYS 16 11.787 -1.672 -13.364 109 2HD LYS 16 1HD LYS 16 10.314 -2.151 -12.521 110 1HE LYS 16 2HE LYS 16 10.930 -3.290 -15.247 111 2HE LYS 16 1HE LYS 16 11.644 -4.005 -13.787 112 1HZ LYS 16 3HZ LYS 16 8.789 -3.327 -13.781 113 2HZ LYS 16 2HZ LYS 16 9.279 -4.738 -14.590 114 3HZ LYS 16 1HZ LYS 16 9.606 -4.548 -12.934 115 H PHE 17 H PHE 17 10.671 0.372 -11.258 116 HA PHE 17 HA PHE 17 8.715 -1.558 -10.373 117 1HB PHE 17 2HB PHE 17 10.852 -1.834 -9.462 118 2HB PHE 17 1HB PHE 17 11.107 -0.100 -9.286 119 HD1 PHE 17 HD1 PHE 17 10.194 1.126 -7.373 120 HD2 PHE 17 HD2 PHE 17 9.639 -3.112 -7.774 121 HE1 PHE 17 HE1 PHE 17 9.487 0.998 -5.000 122 HE2 PHE 17 HE2 PHE 17 8.930 -3.242 -5.404 123 HZ PHE 17 HZ PHE 17 8.854 -1.189 -4.013 124 H GLN 18 H GLN 18 9.237 1.895 -9.860 125 HA GLN 18 HA GLN 18 7.469 2.388 -7.706 126 1HB GLN 18 2HB GLN 18 8.439 3.890 -10.115 127 2HB GLN 18 1HB GLN 18 7.218 4.629 -9.081 128 1HG GLN 18 2HG GLN 18 8.789 4.030 -7.121 129 2HG GLN 18 1HG GLN 18 10.021 3.781 -8.357 130 1HE2 GLN 18 2HE2 GLN 18 9.068 7.463 -9.246 131 2HE2 GLN 18 1HE2 GLN 18 8.431 6.045 -9.927 132 H THR 19 H THR 19 6.779 2.307 -11.207 133 HA THR 19 HA THR 19 3.981 2.865 -11.047 134 HB THR 19 HB THR 19 5.715 1.286 -12.969 135 HG1 THR 19 HG1 THR 19 5.716 3.726 -12.543 136 1HG2 THR 19 2HG2 THR 19 3.243 0.632 -12.975 137 2HG2 THR 19 1HG2 THR 19 2.914 2.277 -13.518 138 3HG2 THR 19 3HG2 THR 19 3.900 1.202 -14.509 139 H LYS 20 H LYS 20 5.811 -0.174 -10.758 140 HA LYS 20 HA LYS 20 3.553 -1.959 -10.743 141 1HB LYS 20 2HB LYS 20 6.344 -2.061 -9.546 142 2HB LYS 20 1HB LYS 20 5.257 -3.451 -9.596 143 1HG LYS 20 2HG LYS 20 5.087 -2.795 -12.165 144 2HG LYS 20 1HG LYS 20 6.659 -2.060 -11.845 145 1HD LYS 20 2HD LYS 20 7.109 -4.303 -12.548 146 2HD LYS 20 1HD LYS 20 7.343 -4.283 -10.799 147 1HE LYS 20 2HE LYS 20 5.889 -6.041 -10.751 148 2HE LYS 20 1HE LYS 20 4.624 -4.842 -11.083 149 1HZ LYS 20 1HZ LYS 20 6.291 -6.055 -13.215 150 2HZ LYS 20 3HZ LYS 20 4.795 -6.703 -12.745 151 3HZ LYS 20 2HZ LYS 20 4.872 -5.137 -13.397 152 H VAL 21 H VAL 21 5.107 0.054 -8.337 153 HA VAL 21 HA VAL 21 3.664 -1.089 -6.057 154 HB VAL 21 HB VAL 21 5.672 1.026 -6.677 155 1HG1 VAL 21 2HG1 VAL 21 3.697 1.213 -4.421 156 2HG1 VAL 21 1HG1 VAL 21 5.361 1.744 -4.164 157 3HG1 VAL 21 3HG1 VAL 21 4.377 2.501 -5.417 158 1HG2 VAL 21 1HG2 VAL 21 5.348 -1.011 -4.452 159 2HG2 VAL 21 3HG2 VAL 21 6.309 -1.225 -5.915 160 3HG2 VAL 21 2HG2 VAL 21 6.778 -0.013 -4.722 161 H GLU 22 H GLU 22 3.152 1.304 -8.496 162 HA GLU 22 HA GLU 22 1.221 2.947 -7.083 163 1HB GLU 22 2HB GLU 22 2.271 2.531 -9.851 164 2HB GLU 22 1HB GLU 22 0.743 3.392 -9.687 165 1HG GLU 22 2HG GLU 22 2.204 4.613 -7.745 166 2HG GLU 22 1HG GLU 22 3.470 4.231 -8.912 167 H GLU 23 H GLU 23 0.967 0.321 -9.502 168 HA GLU 23 HA GLU 23 -1.929 0.252 -9.482 169 1HB GLU 23 2HB GLU 23 -0.023 -1.985 -10.212 170 2HB GLU 23 1HB GLU 23 -1.604 -1.640 -10.914 171 1HG GLU 23 2HG GLU 23 -0.277 0.724 -11.355 172 2HG GLU 23 1HG GLU 23 1.023 -0.457 -11.534 173 H LEU 24 H LEU 24 0.624 -1.549 -7.783 174 HA LEU 24 HA LEU 24 -1.063 -3.487 -6.514 175 1HB LEU 24 2HB LEU 24 1.564 -3.133 -6.772 176 2HB LEU 24 1HB LEU 24 1.381 -2.359 -5.198 177 HG LEU 24 HG LEU 24 0.267 -4.385 -4.331 178 1HD1 LEU 24 3HD1 LEU 24 0.339 -5.066 -7.190 179 2HD1 LEU 24 2HD1 LEU 24 0.860 -6.381 -6.137 180 3HD1 LEU 24 1HD1 LEU 24 -0.734 -5.657 -5.922 181 1HD2 LEU 24 2HD2 LEU 24 2.779 -4.087 -4.259 182 2HD2 LEU 24 1HD2 LEU 24 2.243 -5.765 -4.199 183 3HD2 LEU 24 3HD2 LEU 24 2.875 -5.095 -5.703 184 H ILE 25 H ILE 25 0.148 -0.309 -5.417 185 HA ILE 25 HA ILE 25 -1.050 -0.296 -2.845 186 HB ILE 25 HB ILE 25 0.178 1.550 -4.762 187 1HG1 ILE 25 2HG1 ILE 25 1.316 2.322 -2.804 188 2HG1 ILE 25 1HG1 ILE 25 0.049 1.705 -1.744 189 1HG2 ILE 25 3HG2 ILE 25 -2.012 2.699 -4.564 190 2HG2 ILE 25 2HG2 ILE 25 -1.842 2.698 -2.808 191 3HG2 ILE 25 1HG2 ILE 25 -0.718 3.626 -3.803 192 1HD1 ILE 25 1HD1 ILE 25 1.380 -0.263 -3.541 193 2HD1 ILE 25 3HD1 ILE 25 2.323 0.348 -2.181 194 3HD1 ILE 25 2HD1 ILE 25 0.785 -0.465 -1.893 195 H ASN 26 H ASN 26 -2.373 0.638 -6.022 196 HA ASN 26 HA ASN 26 -4.865 1.698 -5.110 197 1HB ASN 26 2HB ASN 26 -3.644 1.615 -7.440 198 2HB ASN 26 1HB ASN 26 -4.541 0.110 -7.645 199 1HD2 ASN 26 2HD2 ASN 26 -7.414 1.870 -8.624 200 2HD2 ASN 26 1HD2 ASN 26 -6.426 0.501 -8.798 201 H THR 27 H THR 27 -3.921 -1.585 -6.086 202 HA THR 27 HA THR 27 -6.438 -2.875 -5.730 203 HB THR 27 HB THR 27 -3.538 -3.713 -5.546 204 HG1 THR 27 HG1 THR 27 -4.623 -3.077 -7.558 205 1HG2 THR 27 2HG2 THR 27 -6.041 -5.348 -5.179 206 2HG2 THR 27 1HG2 THR 27 -4.572 -6.074 -5.832 207 3HG2 THR 27 3HG2 THR 27 -4.563 -5.364 -4.217 208 H LEU 28 H LEU 28 -3.890 -1.992 -3.438 209 HA LEU 28 HA LEU 28 -4.886 -3.546 -1.208 210 1HB LEU 28 2HB LEU 28 -3.002 -1.252 -1.686 211 2HB LEU 28 1HB LEU 28 -3.459 -1.642 -0.028 212 HG LEU 28 HG LEU 28 -2.645 -3.911 -1.780 213 1HD1 LEU 28 2HD1 LEU 28 -0.792 -1.750 -0.770 214 2HD1 LEU 28 1HD1 LEU 28 -0.226 -3.401 -1.031 215 3HD1 LEU 28 3HD1 LEU 28 -0.865 -2.464 -2.381 216 1HD2 LEU 28 1HD2 LEU 28 -2.818 -3.196 1.070 217 2HD2 LEU 28 3HD2 LEU 28 -2.933 -4.778 0.299 218 3HD2 LEU 28 2HD2 LEU 28 -1.352 -4.078 0.645 219 H GLN 29 H GLN 29 -5.285 -0.158 -2.235 220 HA GLN 29 HA GLN 29 -7.042 0.586 -0.056 221 1HB GLN 29 2HB GLN 29 -5.545 1.910 -1.816 222 2HB GLN 29 1HB GLN 29 -7.036 1.893 -2.755 223 1HG GLN 29 2HG GLN 29 -8.087 2.659 -0.429 224 2HG GLN 29 1HG GLN 29 -6.448 3.249 -0.158 225 1HE2 GLN 29 2HE2 GLN 29 -6.730 5.351 -3.235 226 2HE2 GLN 29 1HE2 GLN 29 -5.706 4.094 -2.732 227 H GLN 30 H GLN 30 -7.408 -1.344 -2.821 228 HA GLN 30 HA GLN 30 -10.251 -0.762 -3.313 229 1HB GLN 30 2HB GLN 30 -8.192 -2.740 -4.324 230 2HB GLN 30 1HB GLN 30 -9.874 -2.796 -4.849 231 1HG GLN 30 2HG GLN 30 -8.913 -0.087 -4.988 232 2HG GLN 30 1HG GLN 30 -7.816 -1.150 -5.866 233 1HE2 GLN 30 2HE2 GLN 30 -11.716 -1.468 -7.106 234 2HE2 GLN 30 1HE2 GLN 30 -11.358 -1.557 -5.449 235 H LYS 31 H LYS 31 -8.315 -3.524 -2.117 236 HA LYS 31 HA LYS 31 -10.588 -5.079 -1.266 237 1HB LYS 31 2HB LYS 31 -7.617 -5.058 -1.003 238 2HB LYS 31 1HB LYS 31 -8.504 -6.002 0.194 239 1HG LYS 31 2HG LYS 31 -8.932 -6.257 -2.794 240 2HG LYS 31 1HG LYS 31 -7.862 -7.306 -1.864 241 1HD LYS 31 2HD LYS 31 -9.710 -8.049 -0.479 242 2HD LYS 31 1HD LYS 31 -10.803 -6.911 -1.263 243 1HE LYS 31 2HE LYS 31 -11.018 -8.211 -3.149 244 2HE LYS 31 1HE LYS 31 -9.344 -8.795 -3.056 245 1HZ LYS 31 2HZ LYS 31 -11.221 -9.502 -0.910 246 2HZ LYS 31 1HZ LYS 31 -11.311 -10.354 -2.380 247 3HZ LYS 31 3HZ LYS 31 -9.870 -10.359 -1.484 248 H LEU 32 H LEU 32 -8.906 -2.367 0.023 249 HA LEU 32 HA LEU 32 -9.638 -2.808 2.822 250 1HB LEU 32 2HB LEU 32 -7.650 -1.507 1.706 251 2HB LEU 32 1HB LEU 32 -8.822 -0.196 1.564 252 HG LEU 32 HG LEU 32 -9.188 -0.179 3.953 253 1HD1 LEU 32 3HD1 LEU 32 -7.509 -2.686 3.866 254 2HD1 LEU 32 2HD1 LEU 32 -7.686 -1.754 5.352 255 3HD1 LEU 32 1HD1 LEU 32 -9.104 -2.460 4.579 256 1HD2 LEU 32 1HD2 LEU 32 -6.303 -0.259 3.060 257 2HD2 LEU 32 3HD2 LEU 32 -7.312 1.153 3.375 258 3HD2 LEU 32 2HD2 LEU 32 -6.740 0.161 4.717 259 H GLU 33 H GLU 33 -10.694 -0.617 0.186 260 HA GLU 33 HA GLU 33 -12.842 0.558 1.737 261 1HB GLU 33 2HB GLU 33 -11.698 1.576 -0.241 262 2HB GLU 33 1HB GLU 33 -12.429 0.340 -1.265 263 1HG GLU 33 2HG GLU 33 -14.492 1.312 -1.193 264 2HG GLU 33 1HG GLU 33 -14.308 1.805 0.492 265 H ALA 34 H ALA 34 -12.422 -2.428 0.110 266 HA ALA 34 HA ALA 34 -15.317 -2.920 -0.268 267 1HB ALA 34 3HB ALA 34 -13.117 -3.683 -1.643 268 2HB ALA 34 2HB ALA 34 -13.232 -5.044 -0.525 269 3HB ALA 34 1HB ALA 34 -14.580 -4.669 -1.599 270 H VAL 35 H VAL 35 -12.600 -3.795 1.780 271 HA VAL 35 HA VAL 35 -13.841 -5.846 3.349 272 HB VAL 35 HB VAL 35 -11.501 -4.025 3.394 273 1HG1 VAL 35 3HG1 VAL 35 -12.517 -3.653 5.661 274 2HG1 VAL 35 2HG1 VAL 35 -12.366 -5.385 5.957 275 3HG1 VAL 35 1HG1 VAL 35 -10.925 -4.402 5.709 276 1HG2 VAL 35 1HG2 VAL 35 -12.035 -6.953 3.900 277 2HG2 VAL 35 3HG2 VAL 35 -11.169 -6.221 2.549 278 3HG2 VAL 35 2HG2 VAL 35 -10.445 -6.234 4.156 279 H ALA 36 H ALA 36 -13.664 -2.299 3.664 280 HA ALA 36 HA ALA 36 -15.033 -2.108 6.187 281 1HB ALA 36 1HB ALA 36 -14.538 -0.286 3.823 282 2HB ALA 36 3HB ALA 36 -15.438 0.271 5.234 283 3HB ALA 36 2HB ALA 36 -13.761 -0.251 5.406 284 H LYS 37 H LYS 37 -16.088 -2.330 2.829 285 HA LYS 37 HA LYS 37 -18.866 -1.659 3.295 286 1HB LYS 37 2HB LYS 37 -17.091 -2.506 1.167 287 2HB LYS 37 1HB LYS 37 -18.609 -3.398 1.079 288 1HG LYS 37 2HG LYS 37 -19.735 -1.575 0.370 289 2HG LYS 37 1HG LYS 37 -19.054 -0.577 1.657 290 1HD LYS 37 2HD LYS 37 -17.314 0.165 0.352 291 2HD LYS 37 1HD LYS 37 -17.223 -1.338 -0.566 292 1HE LYS 37 2HE LYS 37 -19.644 0.428 -0.869 293 2HE LYS 37 1HE LYS 37 -18.157 0.804 -1.761 294 1HZ LYS 37 2HZ LYS 37 -18.104 -1.568 -2.447 295 2HZ LYS 37 1HZ LYS 37 -19.649 -1.764 -1.770 296 3HZ LYS 37 3HZ LYS 37 -19.427 -0.708 -3.079 297 H ARG 38 H ARG 38 -16.971 -4.624 3.499 298 HA ARG 38 HA ARG 38 -19.269 -6.401 3.744 299 1HB ARG 38 2HB ARG 38 -16.349 -6.731 4.520 300 2HB ARG 38 1HB ARG 38 -17.509 -8.034 4.265 301 1HG ARG 38 2HG ARG 38 -17.115 -6.058 2.057 302 2HG ARG 38 1HG ARG 38 -15.861 -7.271 2.319 303 1HD ARG 38 2HD ARG 38 -18.149 -8.797 2.476 304 2HD ARG 38 1HD ARG 38 -18.575 -7.607 1.229 305 HE ARG 38 HE ARG 38 -15.999 -9.132 1.114 306 1HH1 ARG 38 1HH2 ARG 38 -17.195 -6.846 -0.739 307 2HH1 ARG 38 2HH2 ARG 38 -17.563 -7.801 -2.136 308 1HH2 ARG 38 2HH1 ARG 38 -17.215 -10.831 -0.485 309 2HH2 ARG 38 1HH1 ARG 38 -17.576 -10.058 -1.993 310 H ILE 39 H ILE 39 -17.085 -4.673 5.912 311 HA ILE 39 HA ILE 39 -17.874 -5.838 8.396 312 HB ILE 39 HB ILE 39 -16.756 -3.205 7.445 313 1HG1 ILE 39 2HG1 ILE 39 -15.487 -5.477 7.672 314 2HG1 ILE 39 1HG1 ILE 39 -14.725 -4.021 8.304 315 1HG2 ILE 39 3HG2 ILE 39 -17.608 -3.922 10.256 316 2HG2 ILE 39 2HG2 ILE 39 -16.374 -2.706 9.926 317 3HG2 ILE 39 1HG2 ILE 39 -18.017 -2.477 9.330 318 1HD1 ILE 39 1HD1 ILE 39 -16.481 -5.301 10.260 319 2HD1 ILE 39 3HD1 ILE 39 -15.172 -6.358 9.730 320 3HD1 ILE 39 2HD1 ILE 39 -14.803 -4.782 10.430 321 H GLU 40 H GLU 40 -19.124 -3.048 6.566 322 HA GLU 40 HA GLU 40 -21.211 -2.331 8.404 323 1HB GLU 40 2HB GLU 40 -21.095 -2.081 5.377 324 2HB GLU 40 1HB GLU 40 -22.060 -1.089 6.469 325 1HG GLU 40 2HG GLU 40 -19.365 -1.005 7.391 326 2HG GLU 40 1HG GLU 40 -19.348 -0.691 5.655 327 H ALA 41 H ALA 41 -20.933 -4.667 5.773 328 HA ALA 41 HA ALA 41 -23.662 -5.408 5.476 329 1HB ALA 41 2HB ALA 41 -21.220 -6.143 4.456 330 2HB ALA 41 1HB ALA 41 -21.630 -7.560 5.422 331 3HB ALA 41 3HB ALA 41 -22.719 -7.019 4.145 332 H LEU 42 H LEU 42 -21.205 -6.327 7.840 333 HA LEU 42 HA LEU 42 -22.905 -8.297 9.191 334 1HB LEU 42 2HB LEU 42 -20.258 -6.923 9.735 335 2HB LEU 42 1HB LEU 42 -20.973 -8.026 10.900 336 HG LEU 42 HG LEU 42 -19.761 -9.595 9.780 337 1HD1 LEU 42 2HD1 LEU 42 -22.088 -10.175 9.162 338 2HD1 LEU 42 1HD1 LEU 42 -21.926 -9.212 7.692 339 3HD1 LEU 42 3HD1 LEU 42 -20.941 -10.658 7.912 340 1HD2 LEU 42 2HD2 LEU 42 -19.071 -7.429 8.256 341 2HD2 LEU 42 1HD2 LEU 42 -18.457 -9.063 8.007 342 3HD2 LEU 42 3HD2 LEU 42 -19.822 -8.481 7.056 343 H GLU 43 H GLU 43 -22.138 -4.879 9.451 344 HA GLU 43 HA GLU 43 -23.251 -4.459 12.091 345 1HB GLU 43 2HB GLU 43 -22.826 -2.626 9.706 346 2HB GLU 43 1HB GLU 43 -23.105 -2.088 11.364 347 1HG GLU 43 2HG GLU 43 -21.064 -3.935 11.634 348 2HG GLU 43 1HG GLU 43 -20.661 -3.108 10.131 349 H ASN 44 H ASN 44 -24.601 -4.956 8.969 350 HA ASN 44 HA ASN 44 -27.128 -3.563 9.411 351 1HB ASN 44 2HB ASN 44 -25.951 -5.500 7.432 352 2HB ASN 44 1HB ASN 44 -27.690 -5.203 7.411 353 1HD2 ASN 44 2HD2 ASN 44 -25.514 -2.619 5.447 354 2HD2 ASN 44 1HD2 ASN 44 -25.190 -4.270 5.670 355 H LYS 45 H LYS 45 -25.754 -6.582 10.340 356 HA LYS 45 HA LYS 45 -28.451 -7.637 11.117 357 1HB LYS 45 2HB LYS 45 -25.784 -8.998 10.600 358 2HB LYS 45 1HB LYS 45 -27.264 -9.835 11.071 359 1HG LYS 45 2HG LYS 45 -27.214 -10.027 8.710 360 2HG LYS 45 1HG LYS 45 -28.338 -8.702 9.014 361 1HD LYS 45 2HD LYS 45 -26.941 -7.137 8.123 362 2HD LYS 45 1HD LYS 45 -25.497 -7.913 8.776 363 1HE LYS 45 2HE LYS 45 -25.087 -8.767 6.716 364 2HE LYS 45 1HE LYS 45 -26.592 -9.699 6.841 365 1HZ LYS 45 1HZ LYS 45 -26.544 -6.826 6.119 366 2HZ LYS 45 3HZ LYS 45 -26.490 -8.052 4.950 367 3HZ LYS 45 2HZ LYS 45 -27.839 -7.916 5.975 368 H ILE 46 H ILE 46 -25.420 -6.437 12.265 369 HA ILE 46 HA ILE 46 -25.803 -7.655 14.957 370 HB ILE 46 HB ILE 46 -23.578 -6.042 13.661 371 1HG1 ILE 46 2HG1 ILE 46 -23.232 -8.124 12.741 372 2HG1 ILE 46 1HG1 ILE 46 -22.451 -8.407 14.289 373 1HG2 ILE 46 2HG2 ILE 46 -23.737 -5.662 16.115 374 2HG2 ILE 46 1HG2 ILE 46 -23.617 -7.403 16.368 375 3HG2 ILE 46 3HG2 ILE 46 -22.265 -6.519 15.661 376 1HD1 ILE 46 3HD1 ILE 46 -25.363 -9.047 13.722 377 2HD1 ILE 46 2HD1 ILE 46 -24.054 -10.224 13.644 378 3HD1 ILE 46 1HD1 ILE 46 -24.455 -9.455 15.179 379 H ILE 47 HN ILE 47 -26.321 -4.720 13.201 380 HA ILE 47 HA ILE 47 -26.114 -2.786 15.305 381 HB ILE 47 HB ILE 47 -26.303 -2.216 12.934 382 1HG1 ILE 47 2HG1 ILE 47 -28.870 -1.305 14.253 383 2HG1 ILE 47 1HG1 ILE 47 -27.292 -0.695 14.753 384 1HG2 ILE 47 1HG2 ILE 47 -28.404 -4.152 13.030 385 2HG2 ILE 47 3HG2 ILE 47 -29.099 -2.624 12.490 386 3HG2 ILE 47 2HG2 ILE 47 -27.743 -3.333 11.614 387 1HD1 ILE 47 3HD1 ILE 47 -26.952 -0.226 12.200 388 2HD1 ILE 47 2HD1 ILE 47 -28.711 -0.331 12.124 389 3HD1 ILE 47 1HD1 ILE 47 -27.944 0.883 13.148 390 1H GLY 1 2H GLY 1 32.436 20.185 -9.732 391 2H GLY 1 1H GLY 1 33.042 18.687 -9.208 392 3H GLY 1 3H GLY 1 33.475 19.289 -10.734 393 1HA GLY 1 2HA GLY 1 31.874 17.822 -11.370 394 2HA GLY 1 1HA GLY 1 30.974 18.034 -9.867 395 H SER 2 H SER 2 29.451 19.704 -9.727 396 HA SER 2 HA SER 2 27.849 21.204 -10.612 397 1HB SER 2 2HB SER 2 30.378 22.248 -10.693 398 2HB SER 2 1HB SER 2 29.887 22.418 -12.377 399 HG SER 2 HG SER 2 28.264 23.719 -11.783 400 H HIS 3 H HIS 3 27.381 18.943 -11.894 401 HA HIS 3 HA HIS 3 27.872 19.113 -14.786 402 1HB HIS 3 2HB HIS 3 27.356 17.137 -12.907 403 2HB HIS 3 1HB HIS 3 25.840 17.237 -13.803 404 HD1 HIS 3 HD1 HIS 3 26.053 15.212 -15.310 405 HD2 HIS 3 HD2 HIS 3 29.429 17.653 -15.447 406 HE1 HIS 3 HE1 HIS 3 27.504 14.323 -17.187 407 H MET 4 H MET 4 25.665 20.548 -12.672 408 HA MET 4 HA MET 4 23.612 21.665 -13.022 409 1HB MET 4 2HB MET 4 24.884 21.555 -15.770 410 2HB MET 4 1HB MET 4 23.431 22.495 -15.430 411 1HG MET 4 2HG MET 4 24.561 23.937 -13.948 412 2HG MET 4 1HG MET 4 25.905 22.815 -13.737 413 1HE MET 4 2HE MET 4 26.605 25.419 -13.915 414 2HE MET 4 1HE MET 4 27.222 26.103 -15.417 415 3HE MET 4 3HE MET 4 25.500 26.222 -15.029 416 H GLU 5 H GLU 5 23.465 20.301 -16.248 417 HA GLU 5 HA GLU 5 21.993 18.707 -17.194 418 1HB GLU 5 2HB GLU 5 23.092 17.649 -14.895 419 2HB GLU 5 1HB GLU 5 21.363 17.468 -14.597 420 1HG GLU 5 2HG GLU 5 21.839 15.503 -15.761 421 2HG GLU 5 1HG GLU 5 21.322 16.570 -17.068 422 H GLU 6 H GLU 6 19.806 18.831 -17.666 423 HA GLU 6 HA GLU 6 18.082 20.323 -15.722 424 1HB GLU 6 2HB GLU 6 18.544 20.339 -18.621 425 2HB GLU 6 1HB GLU 6 16.831 20.285 -18.201 426 1HG GLU 6 2HG GLU 6 18.550 22.191 -16.678 427 2HG GLU 6 1HG GLU 6 18.170 22.600 -18.352 428 H ASP 7 H ASP 7 17.308 18.504 -14.518 429 HA ASP 7 HA ASP 7 15.983 16.586 -14.111 430 1HB ASP 7 2HB ASP 7 14.307 18.168 -14.931 431 2HB ASP 7 1HB ASP 7 14.710 17.768 -16.602 432 HA PRO 8 HA PRO 8 18.224 14.294 -17.496 433 1HB PRO 8 2HB PRO 8 19.942 12.932 -15.858 434 2HB PRO 8 1HB PRO 8 20.310 14.533 -16.529 435 1HG PRO 8 2HG PRO 8 19.384 13.791 -13.805 436 2HG PRO 8 1HG PRO 8 20.515 15.055 -14.311 437 1HD PRO 8 2HD PRO 8 17.901 15.516 -13.610 438 2HD PRO 8 1HD PRO 8 18.854 16.573 -14.673 439 H CYS 9 H CYS 9 17.865 12.810 -14.242 440 HA CYS 9 HA CYS 9 16.102 10.735 -15.496 441 1HB CYS 9 2HB CYS 9 18.602 10.580 -13.867 442 2HB CYS 9 1HB CYS 9 17.373 9.345 -13.586 443 H GLU 10 H GLU 10 14.864 12.852 -14.303 444 HA GLU 10 HA GLU 10 13.563 13.560 -12.444 445 1HB GLU 10 2HB GLU 10 13.219 10.587 -12.824 446 2HB GLU 10 1HB GLU 10 12.265 11.464 -11.628 447 1HG GLU 10 2HG GLU 10 10.846 11.827 -13.371 448 2HG GLU 10 1HG GLU 10 11.990 13.101 -13.792 449 H CYS 11 H CYS 11 16.222 13.417 -11.582 450 HA CYS 11 HA CYS 11 16.923 11.718 -9.494 451 1HB CYS 11 2HB CYS 11 17.415 14.565 -10.240 452 2HB CYS 11 1HB CYS 11 17.945 14.047 -8.635 453 H LYS 12 H LYS 12 14.527 14.282 -9.497 454 HA LYS 12 HA LYS 12 13.974 13.703 -6.602 455 1HB LYS 12 2HB LYS 12 13.379 16.277 -8.082 456 2HB LYS 12 1HB LYS 12 13.466 16.023 -6.339 457 1HG LYS 12 2HG LYS 12 15.795 15.826 -8.271 458 2HG LYS 12 1HG LYS 12 15.500 17.151 -7.145 459 1HD LYS 12 2HD LYS 12 15.463 14.515 -5.857 460 2HD LYS 12 1HD LYS 12 17.015 14.903 -6.597 461 1HE LYS 12 2HE LYS 12 17.427 16.636 -5.138 462 2HE LYS 12 1HE LYS 12 15.710 17.071 -5.012 463 1HZ LYS 12 3HZ LYS 12 15.320 15.034 -3.767 464 2HZ LYS 12 2HZ LYS 12 16.966 14.627 -3.874 465 3HZ LYS 12 1HZ LYS 12 16.481 15.990 -2.981 466 H SER 13 H SER 13 12.798 13.538 -9.780 467 HA SER 13 HA SER 13 9.954 13.932 -9.166 468 1HB SER 13 2HB SER 13 11.704 13.271 -11.480 469 2HB SER 13 1HB SER 13 10.027 12.754 -11.596 470 HG SER 13 HG SER 13 10.910 15.098 -12.135 471 H ILE 14 H ILE 14 12.208 11.249 -9.411 472 HA ILE 14 HA ILE 14 10.159 9.155 -9.314 473 HB ILE 14 HB ILE 14 13.178 9.266 -9.030 474 1HG1 ILE 14 2HG1 ILE 14 11.640 7.976 -11.260 475 2HG1 ILE 14 1HG1 ILE 14 11.826 9.725 -11.244 476 1HG2 ILE 14 1HG2 ILE 14 11.328 6.861 -9.158 477 2HG2 ILE 14 3HG2 ILE 14 13.083 6.782 -9.320 478 3HG2 ILE 14 2HG2 ILE 14 12.360 7.317 -7.802 479 1HD1 ILE 14 1HD1 ILE 14 14.289 9.446 -11.051 480 2HD1 ILE 14 3HD1 ILE 14 14.079 7.698 -11.152 481 3HD1 ILE 14 2HD1 ILE 14 13.654 8.718 -12.526 482 H VAL 15 H VAL 15 12.398 10.768 -7.120 483 HA VAL 15 HA VAL 15 11.653 9.118 -4.808 484 HB VAL 15 HB VAL 15 13.059 11.770 -4.625 485 1HG1 VAL 15 2HG1 VAL 15 13.439 9.015 -3.420 486 2HG1 VAL 15 1HG1 VAL 15 14.502 10.384 -3.097 487 3HG1 VAL 15 3HG1 VAL 15 12.809 10.450 -2.611 488 1HG2 VAL 15 1HG2 VAL 15 14.075 9.313 -6.068 489 2HG2 VAL 15 3HG2 VAL 15 14.152 10.996 -6.585 490 3HG2 VAL 15 2HG2 VAL 15 15.186 10.430 -5.279 491 H LYS 16 H LYS 16 10.553 11.917 -6.454 492 HA LYS 16 HA LYS 16 9.168 13.215 -4.252 493 1HB LYS 16 2HB LYS 16 9.620 14.593 -6.108 494 2HB LYS 16 1HB LYS 16 9.232 13.321 -7.265 495 1HG LYS 16 2HG LYS 16 6.946 14.011 -5.591 496 2HG LYS 16 1HG LYS 16 7.552 15.400 -6.492 497 1HD LYS 16 2HD LYS 16 7.632 13.624 -8.477 498 2HD LYS 16 1HD LYS 16 6.378 12.846 -7.510 499 1HE LYS 16 2HE LYS 16 6.154 15.798 -8.015 500 2HE LYS 16 1HE LYS 16 5.702 14.671 -9.309 501 1HZ LYS 16 3HZ LYS 16 4.804 14.155 -6.556 502 2HZ LYS 16 2HZ LYS 16 3.966 15.296 -7.496 503 3HZ LYS 16 1HZ LYS 16 4.090 13.684 -8.022 504 H PHE 17 H PHE 17 8.356 10.973 -6.882 505 HA PHE 17 HA PHE 17 5.579 10.628 -6.174 506 1HB PHE 17 2HB PHE 17 6.131 9.903 -8.327 507 2HB PHE 17 1HB PHE 17 7.681 9.241 -7.812 508 HD1 PHE 17 HD2 PHE 17 4.043 8.644 -7.984 509 HD2 PHE 17 HD1 PHE 17 7.853 7.015 -6.866 510 HE1 PHE 17 HE2 PHE 17 3.020 6.401 -7.770 511 HE2 PHE 17 HE1 PHE 17 6.832 4.766 -6.652 512 HZ PHE 17 HZ PHE 17 4.413 4.456 -7.106 513 H GLN 18 H GLN 18 8.625 9.160 -5.155 514 HA GLN 18 HA GLN 18 7.678 6.893 -3.742 515 1HB GLN 18 2HB GLN 18 9.994 8.798 -3.504 516 2HB GLN 18 1HB GLN 18 9.783 7.536 -2.289 517 1HG GLN 18 2HG GLN 18 9.557 5.916 -4.291 518 2HG GLN 18 1HG GLN 18 10.248 7.223 -5.253 519 1HE2 GLN 18 2HE2 GLN 18 13.117 6.976 -2.651 520 2HE2 GLN 18 1HE2 GLN 18 11.801 8.048 -2.668 521 H THR 19 H THR 19 8.081 10.257 -2.637 522 HA THR 19 HA THR 19 7.204 9.876 0.061 523 HB THR 19 HB THR 19 7.166 12.191 -1.895 524 HG1 THR 19 HG1 THR 19 9.117 11.148 -0.851 525 1HG2 THR 19 2HG2 THR 19 5.382 12.336 -0.054 526 2HG2 THR 19 1HG2 THR 19 6.725 12.429 1.084 527 3HG2 THR 19 3HG2 THR 19 6.526 13.673 -0.151 528 H LYS 20 H LYS 20 5.430 10.462 -2.962 529 HA LYS 20 HA LYS 20 2.837 10.883 -1.776 530 1HB LYS 20 2HB LYS 20 3.748 9.815 -4.472 531 2HB LYS 20 1HB LYS 20 2.093 10.305 -4.109 532 1HG LYS 20 2HG LYS 20 3.341 12.522 -3.280 533 2HG LYS 20 1HG LYS 20 4.532 11.987 -4.466 534 1HD LYS 20 2HD LYS 20 2.986 13.412 -5.633 535 2HD LYS 20 1HD LYS 20 2.619 11.757 -6.121 536 1HE LYS 20 2HE LYS 20 0.483 12.126 -5.454 537 2HE LYS 20 1HE LYS 20 1.087 12.224 -3.788 538 1HZ LYS 20 1HZ LYS 20 1.387 14.517 -5.614 539 2HZ LYS 20 3HZ LYS 20 -0.082 14.276 -4.800 540 3HZ LYS 20 2HZ LYS 20 1.352 14.500 -3.916 541 H VAL 21 H VAL 21 4.733 8.065 -2.631 542 HA VAL 21 HA VAL 21 2.546 6.150 -2.233 543 HB VAL 21 HB VAL 21 5.436 6.200 -2.972 544 1HG1 VAL 21 2HG1 VAL 21 4.155 3.976 -1.436 545 2HG1 VAL 21 1HG1 VAL 21 5.231 3.555 -2.769 546 3HG1 VAL 21 3HG1 VAL 21 5.831 4.526 -1.425 547 1HG2 VAL 21 1HG2 VAL 21 3.020 4.639 -3.939 548 2HG2 VAL 21 3HG2 VAL 21 3.664 6.109 -4.671 549 3HG2 VAL 21 2HG2 VAL 21 4.610 4.621 -4.701 550 H GLU 22 H GLU 22 4.881 7.821 -0.322 551 HA GLU 22 HA GLU 22 5.052 5.932 1.885 552 1HB GLU 22 2HB GLU 22 5.840 8.738 1.217 553 2HB GLU 22 1HB GLU 22 5.810 8.294 2.921 554 1HG GLU 22 2HG GLU 22 7.091 6.133 1.851 555 2HG GLU 22 1HG GLU 22 7.646 7.421 0.780 556 H GLU 23 H GLU 23 3.272 8.976 1.309 557 HA GLU 23 HA GLU 23 1.813 8.897 3.810 558 1HB GLU 23 2HB GLU 23 1.019 10.266 1.226 559 2HB GLU 23 1HB GLU 23 0.694 10.799 2.876 560 1HG GLU 23 2HG GLU 23 3.435 10.606 2.880 561 2HG GLU 23 1HG GLU 23 3.112 11.154 1.234 562 H LEU 24 H LEU 24 1.136 7.813 0.492 563 HA LEU 24 HA LEU 24 -1.612 7.085 0.901 564 1HB LEU 24 2HB LEU 24 0.005 7.320 -1.211 565 2HB LEU 24 1HB LEU 24 0.195 5.585 -0.959 566 HG LEU 24 HG LEU 24 -2.247 5.292 -1.055 567 1HD1 LEU 24 3HD1 LEU 24 -2.143 8.228 -0.891 568 2HD1 LEU 24 2HD1 LEU 24 -3.251 7.626 -2.123 569 3HD1 LEU 24 1HD1 LEU 24 -3.443 7.122 -0.445 570 1HD2 LEU 24 2HD2 LEU 24 -0.702 5.432 -3.146 571 2HD2 LEU 24 1HD2 LEU 24 -2.446 5.503 -3.395 572 3HD2 LEU 24 3HD2 LEU 24 -1.487 6.984 -3.432 573 H ILE 25 H ILE 25 1.421 5.191 1.104 574 HA ILE 25 HA ILE 25 0.269 2.678 1.748 575 HB ILE 25 HB ILE 25 2.857 4.034 1.792 576 1HG1 ILE 25 2HG1 ILE 25 3.609 1.949 0.896 577 2HG1 ILE 25 1HG1 ILE 25 2.247 1.079 1.601 578 1HG2 ILE 25 2HG2 ILE 25 2.385 1.877 3.874 579 2HG2 ILE 25 1HG2 ILE 25 3.963 2.509 3.402 580 3HG2 ILE 25 3HG2 ILE 25 2.795 3.560 4.206 581 1HD1 ILE 25 1HD1 ILE 25 1.618 3.319 -0.265 582 2HD1 ILE 25 3HD1 ILE 25 2.256 1.834 -0.969 583 3HD1 ILE 25 2HD1 ILE 25 0.772 1.792 -0.017 584 H ASN 26 H ASN 26 1.110 5.447 3.827 585 HA ASN 26 HA ASN 26 0.613 4.191 6.352 586 1HB ASN 26 2HB ASN 26 1.649 6.503 5.593 587 2HB ASN 26 1HB ASN 26 -0.009 7.075 5.780 588 1HD2 ASN 26 2HD2 ASN 26 0.394 7.386 9.252 589 2HD2 ASN 26 1HD2 ASN 26 -0.314 7.961 7.821 590 H THR 27 H THR 27 -1.493 6.097 4.211 591 HA THR 27 HA THR 27 -3.871 6.021 5.773 592 HB THR 27 HB THR 27 -3.247 6.161 2.813 593 HG1 THR 27 HG1 THR 27 -2.813 7.879 4.455 594 1HG2 THR 27 2HG2 THR 27 -5.917 6.259 4.220 595 2HG2 THR 27 1HG2 THR 27 -5.660 7.006 2.645 596 3HG2 THR 27 3HG2 THR 27 -5.452 5.267 2.839 597 H LEU 28 H LEU 28 -2.471 3.659 3.518 598 HA LEU 28 HA LEU 28 -4.767 1.915 3.383 599 1HB LEU 28 2HB LEU 28 -1.807 1.753 2.853 600 2HB LEU 28 1HB LEU 28 -2.777 0.281 2.791 601 HG LEU 28 HG LEU 28 -3.872 2.635 1.345 602 1HD1 LEU 28 2HD1 LEU 28 -1.373 1.148 0.510 603 2HD1 LEU 28 1HD1 LEU 28 -2.405 1.988 -0.647 604 3HD1 LEU 28 3HD1 LEU 28 -1.602 2.892 0.637 605 1HD2 LEU 28 1HD2 LEU 28 -3.935 -0.314 1.278 606 2HD2 LEU 28 3HD2 LEU 28 -5.183 0.846 0.822 607 3HD2 LEU 28 2HD2 LEU 28 -3.894 0.446 -0.314 608 H GLN 29 H GLN 29 -1.818 1.916 5.385 609 HA GLN 29 HA GLN 29 -2.526 -0.412 6.939 610 1HB GLN 29 2HB GLN 29 -0.294 0.966 6.465 611 2HB GLN 29 1HB GLN 29 -0.778 1.810 7.935 612 1HG GLN 29 2HG GLN 29 -1.143 -0.671 8.822 613 2HG GLN 29 1HG GLN 29 0.041 -1.043 7.570 614 1HE2 GLN 29 2HE2 GLN 29 2.411 1.357 9.230 615 2HE2 GLN 29 1HE2 GLN 29 1.643 1.320 7.717 616 H GLN 30 H GLN 30 -3.710 2.765 6.844 617 HA GLN 30 HA GLN 30 -4.443 2.964 9.692 618 1HB GLN 30 2HB GLN 30 -4.888 4.585 7.174 619 2HB GLN 30 1HB GLN 30 -5.623 5.037 8.711 620 1HG GLN 30 2HG GLN 30 -2.858 4.423 9.151 621 2HG GLN 30 1HG GLN 30 -2.982 5.584 7.831 622 1HE2 GLN 30 2HE2 GLN 30 -4.842 6.798 11.291 623 2HE2 GLN 30 1HE2 GLN 30 -5.118 5.230 10.705 624 H LYS 31 H LYS 31 -6.135 2.649 6.556 625 HA LYS 31 HA LYS 31 -8.743 2.211 7.712 626 1HB LYS 31 2HB LYS 31 -7.365 2.026 5.070 627 2HB LYS 31 1HB LYS 31 -8.885 1.144 5.234 628 1HG LYS 31 2HG LYS 31 -8.559 4.063 5.972 629 2HG LYS 31 1HG LYS 31 -9.150 3.514 4.402 630 1HD LYS 31 2HD LYS 31 -11.030 2.396 5.430 631 2HD LYS 31 1HD LYS 31 -10.395 2.716 7.043 632 1HE LYS 31 2HE LYS 31 -11.002 4.960 6.987 633 2HE LYS 31 1HE LYS 31 -10.884 5.050 5.218 634 1HZ LYS 31 2HZ LYS 31 -12.878 3.344 6.597 635 2HZ LYS 31 1HZ LYS 31 -13.213 4.950 6.157 636 3HZ LYS 31 3HZ LYS 31 -12.847 3.805 4.961 637 H LEU 32 H LEU 32 -5.937 0.269 7.249 638 HA LEU 32 HA LEU 32 -7.292 -2.327 7.241 639 1HB LEU 32 2HB LEU 32 -4.985 -1.538 6.273 640 2HB LEU 32 1HB LEU 32 -4.405 -1.797 7.917 641 HG LEU 32 HG LEU 32 -5.086 -4.115 7.866 642 1HD1 LEU 32 3HD1 LEU 32 -6.405 -3.293 5.280 643 2HD1 LEU 32 2HD1 LEU 32 -6.004 -4.980 5.600 644 3HD1 LEU 32 1HD1 LEU 32 -7.120 -4.121 6.662 645 1HD2 LEU 32 1HD2 LEU 32 -3.569 -3.128 5.450 646 2HD2 LEU 32 3HD2 LEU 32 -2.931 -3.871 6.917 647 3HD2 LEU 32 2HD2 LEU 32 -3.801 -4.851 5.737 648 H GLU 33 H GLU 33 -5.343 -0.438 9.574 649 HA GLU 33 HA GLU 33 -5.703 -2.322 11.748 650 1HB GLU 33 2HB GLU 33 -3.847 -0.668 11.508 651 2HB GLU 33 1HB GLU 33 -5.010 0.639 11.741 652 1HG GLU 33 2HG GLU 33 -5.166 0.271 13.984 653 2HG GLU 33 1HG GLU 33 -5.084 -1.482 13.800 654 H ALA 34 H ALA 34 -7.663 0.106 10.316 655 HA ALA 34 HA ALA 34 -9.359 0.493 12.710 656 1HB ALA 34 3HB ALA 34 -8.642 2.108 10.665 657 2HB ALA 34 2HB ALA 34 -10.113 1.426 9.973 658 3HB ALA 34 1HB ALA 34 -10.181 2.296 11.505 659 H VAL 35 H VAL 35 -9.304 -1.112 9.584 660 HA VAL 35 HA VAL 35 -11.998 -2.083 9.517 661 HB VAL 35 HB VAL 35 -9.367 -2.546 8.234 662 1HG1 VAL 35 3HG1 VAL 35 -10.052 -4.870 8.959 663 2HG1 VAL 35 2HG1 VAL 35 -11.494 -4.678 7.962 664 3HG1 VAL 35 1HG1 VAL 35 -9.896 -4.652 7.219 665 1HG2 VAL 35 1HG2 VAL 35 -12.237 -2.350 7.304 666 2HG2 VAL 35 3HG2 VAL 35 -10.979 -1.124 7.161 667 3HG2 VAL 35 2HG2 VAL 35 -10.881 -2.602 6.206 668 H ALA 36 H ALA 36 -8.961 -3.414 10.851 669 HA ALA 36 HA ALA 36 -10.055 -5.913 11.751 670 1HB ALA 36 1HB ALA 36 -7.695 -4.171 12.483 671 2HB ALA 36 3HB ALA 36 -8.003 -5.682 13.339 672 3HB ALA 36 2HB ALA 36 -7.695 -5.698 11.602 673 H LYS 37 H LYS 37 -9.921 -2.667 13.131 674 HA LYS 37 HA LYS 37 -10.767 -3.387 15.798 675 1HB LYS 37 2HB LYS 37 -10.162 -1.047 14.192 676 2HB LYS 37 1HB LYS 37 -11.591 -0.759 15.185 677 1HG LYS 37 2HG LYS 37 -10.375 -0.701 17.092 678 2HG LYS 37 1HG LYS 37 -9.475 -2.152 16.647 679 1HD LYS 37 2HD LYS 37 -7.775 -0.965 15.665 680 2HD LYS 37 1HD LYS 37 -8.851 0.320 15.113 681 1HE LYS 37 2HE LYS 37 -8.389 -0.003 18.066 682 2HE LYS 37 1HE LYS 37 -7.161 0.814 17.079 683 1HZ LYS 37 2HZ LYS 37 -8.924 2.201 16.134 684 2HZ LYS 37 1HZ LYS 37 -10.060 1.466 17.162 685 3HZ LYS 37 3HZ LYS 37 -8.809 2.405 17.817 686 H ARG 38 H ARG 38 -12.455 -2.703 12.783 687 HA ARG 38 HA ARG 38 -15.098 -2.504 14.003 688 1HB ARG 38 2HB ARG 38 -14.230 -3.055 11.144 689 2HB ARG 38 1HB ARG 38 -15.807 -2.462 11.662 690 1HG ARG 38 2HG ARG 38 -13.403 -0.914 12.515 691 2HG ARG 38 1HG ARG 38 -13.902 -0.787 10.828 692 1HD ARG 38 2HD ARG 38 -16.314 -0.549 12.149 693 2HD ARG 38 1HD ARG 38 -15.200 0.300 13.237 694 HE ARG 38 HE ARG 38 -15.202 0.890 10.305 695 1HH1 ARG 38 1HH2 ARG 38 -13.593 2.071 12.797 696 2HH1 ARG 38 2HH2 ARG 38 -14.312 3.645 12.847 697 1HH2 ARG 38 2HH1 ARG 38 -16.914 2.820 10.711 698 2HH2 ARG 38 1HH1 ARG 38 -16.191 4.068 11.669 699 H ILE 39 H ILE 39 -13.110 -4.990 12.484 700 HA ILE 39 HA ILE 39 -15.046 -7.072 12.248 701 HB ILE 39 HB ILE 39 -12.058 -6.850 12.588 702 1HG1 ILE 39 2HG1 ILE 39 -13.432 -6.399 10.423 703 2HG1 ILE 39 1HG1 ILE 39 -11.993 -7.409 10.301 704 1HG2 ILE 39 3HG2 ILE 39 -13.702 -9.388 12.568 705 2HG2 ILE 39 2HG2 ILE 39 -12.003 -9.352 12.094 706 3HG2 ILE 39 1HG2 ILE 39 -12.469 -8.899 13.732 707 1HD1 ILE 39 1HD1 ILE 39 -14.375 -8.956 10.976 708 2HD1 ILE 39 3HD1 ILE 39 -14.545 -8.099 9.445 709 3HD1 ILE 39 2HD1 ILE 39 -13.199 -9.214 9.686 710 H GLU 40 H GLU 40 -12.894 -6.085 14.900 711 HA GLU 40 HA GLU 40 -13.687 -8.145 16.751 712 1HB GLU 40 2HB GLU 40 -12.713 -5.310 17.268 713 2HB GLU 40 1HB GLU 40 -12.564 -6.685 18.364 714 1HG GLU 40 2HG GLU 40 -11.457 -7.450 15.845 715 2HG GLU 40 1HG GLU 40 -10.771 -5.886 16.285 716 H ALA 41 H ALA 41 -14.918 -4.950 15.887 717 HA ALA 41 HA ALA 41 -16.797 -4.544 17.975 718 1HB ALA 41 2HB ALA 41 -16.022 -3.312 15.635 719 2HB ALA 41 1HB ALA 41 -17.655 -3.849 15.235 720 3HB ALA 41 3HB ALA 41 -17.389 -2.794 16.624 721 H LEU 42 H LEU 42 -16.949 -6.469 15.011 722 HA LEU 42 HA LEU 42 -19.719 -7.314 15.404 723 1HB LEU 42 2HB LEU 42 -17.395 -8.134 13.640 724 2HB LEU 42 1HB LEU 42 -18.922 -9.001 13.597 725 HG LEU 42 HG LEU 42 -19.384 -7.492 11.940 726 1HD1 LEU 42 2HD1 LEU 42 -20.963 -6.902 13.760 727 2HD1 LEU 42 1HD1 LEU 42 -19.830 -5.676 14.326 728 3HD1 LEU 42 3HD1 LEU 42 -20.584 -5.515 12.740 729 1HD2 LEU 42 2HD2 LEU 42 -16.957 -6.505 12.568 730 2HD2 LEU 42 1HD2 LEU 42 -18.038 -5.730 11.410 731 3HD2 LEU 42 3HD2 LEU 42 -17.965 -5.149 13.072 732 H GLU 43 H GLU 43 -16.509 -8.480 16.253 733 HA GLU 43 HA GLU 43 -17.282 -11.156 17.025 734 1HB GLU 43 2HB GLU 43 -15.000 -9.340 17.871 735 2HB GLU 43 1HB GLU 43 -15.052 -11.086 18.120 736 1HG GLU 43 2HG GLU 43 -15.668 -10.791 15.432 737 2HG GLU 43 1HG GLU 43 -14.413 -9.583 15.710 738 H ASN 44 H ASN 44 -17.644 -8.057 18.479 739 HA ASN 44 HA ASN 44 -17.786 -8.959 21.249 740 1HB ASN 44 2HB ASN 44 -18.445 -6.471 19.678 741 2HB ASN 44 1HB ASN 44 -18.933 -6.601 21.369 742 1HD2 ASN 44 2HD2 ASN 44 -15.315 -5.302 20.857 743 2HD2 ASN 44 1HD2 ASN 44 -16.698 -4.968 19.931 744 H LYS 45 H LYS 45 -19.903 -8.946 18.525 745 HA LYS 45 HA LYS 45 -22.260 -9.505 20.291 746 1HB LYS 45 2HB LYS 45 -22.063 -8.562 17.411 747 2HB LYS 45 1HB LYS 45 -23.566 -8.792 18.308 748 1HG LYS 45 2HG LYS 45 -23.126 -6.477 18.509 749 2HG LYS 45 1HG LYS 45 -22.565 -7.157 20.038 750 1HD LYS 45 2HD LYS 45 -20.373 -6.722 19.576 751 2HD LYS 45 1HD LYS 45 -20.555 -7.112 17.866 752 1HE LYS 45 2HE LYS 45 -20.592 -4.891 17.416 753 2HE LYS 45 1HE LYS 45 -22.102 -4.767 18.341 754 1HZ LYS 45 1HZ LYS 45 -19.376 -4.767 19.528 755 2HZ LYS 45 3HZ LYS 45 -20.322 -3.380 19.290 756 3HZ LYS 45 2HZ LYS 45 -20.839 -4.583 20.371 757 H ILE 46 H ILE 46 -20.042 -10.850 18.010 758 HA ILE 46 HA ILE 46 -21.901 -13.091 17.357 759 HB ILE 46 HB ILE 46 -19.171 -12.261 16.312 760 1HG1 ILE 46 2HG1 ILE 46 -20.556 -10.752 15.246 761 2HG1 ILE 46 1HG1 ILE 46 -20.801 -12.125 14.174 762 1HG2 ILE 46 2HG2 ILE 46 -19.756 -14.770 16.312 763 2HG2 ILE 46 1HG2 ILE 46 -20.989 -14.354 15.119 764 3HG2 ILE 46 3HG2 ILE 46 -19.286 -14.053 14.769 765 1HD1 ILE 46 3HD1 ILE 46 -22.580 -11.492 16.549 766 2HD1 ILE 46 2HD1 ILE 46 -22.941 -11.036 14.887 767 3HD1 ILE 46 1HD1 ILE 46 -22.850 -12.739 15.331 768 H ILE 47 HN ILE 47 -19.215 -12.257 19.375 769 HA ILE 47 HA ILE 47 -17.964 -14.804 19.703 770 HB ILE 47 HB ILE 47 -17.045 -12.687 20.512 771 1HG1 ILE 47 2HG1 ILE 47 -17.716 -14.364 22.938 772 2HG1 ILE 47 1HG1 ILE 47 -16.580 -14.909 21.703 773 1HG2 ILE 47 1HG2 ILE 47 -19.688 -12.341 21.500 774 2HG2 ILE 47 3HG2 ILE 47 -18.612 -12.341 22.897 775 3HG2 ILE 47 2HG2 ILE 47 -18.350 -11.197 21.581 776 1HD1 ILE 47 3HD1 ILE 47 -15.519 -12.515 22.080 777 2HD1 ILE 47 2HD1 ILE 47 -16.327 -12.642 23.644 778 3HD1 ILE 47 1HD1 ILE 47 -15.129 -13.848 23.168 779 1H GLY 1 2H GLY 1 35.020 4.634 -17.591 780 2H GLY 1 1H GLY 1 33.883 4.580 -18.854 781 3H GLY 1 3H GLY 1 34.963 5.883 -18.742 782 1HA GLY 1 2HA GLY 1 33.154 6.874 -17.829 783 2HA GLY 1 1HA GLY 1 32.527 5.341 -17.220 784 H SER 2 H SER 2 33.206 4.607 -15.180 785 HA SER 2 HA SER 2 33.941 4.908 -12.948 786 1HB SER 2 2HB SER 2 36.027 4.751 -14.685 787 2HB SER 2 1HB SER 2 36.356 6.317 -13.950 788 HG SER 2 HG SER 2 36.424 5.353 -11.959 789 H HIS 3 H HIS 3 32.121 6.797 -13.309 790 HA HIS 3 HA HIS 3 33.194 9.520 -13.127 791 1HB HIS 3 2HB HIS 3 30.846 8.320 -13.920 792 2HB HIS 3 1HB HIS 3 30.401 8.989 -12.351 793 HD1 HIS 3 HD1 HIS 3 29.152 11.081 -12.994 794 HD2 HIS 3 HD2 HIS 3 32.793 10.745 -14.997 795 HE1 HIS 3 HE1 HIS 3 29.489 13.262 -14.239 796 H MET 4 H MET 4 32.819 6.977 -10.916 797 HA MET 4 HA MET 4 32.882 6.903 -8.552 798 1HB MET 4 2HB MET 4 34.047 9.628 -9.203 799 2HB MET 4 1HB MET 4 34.104 8.908 -7.593 800 1HG MET 4 2HG MET 4 35.555 7.205 -8.262 801 2HG MET 4 1HG MET 4 35.084 7.334 -9.957 802 1HE MET 4 2HE MET 4 37.919 6.971 -9.572 803 2HE MET 4 1HE MET 4 38.967 8.318 -9.136 804 3HE MET 4 3HE MET 4 37.935 7.567 -7.913 805 H GLU 5 H GLU 5 32.463 10.378 -8.446 806 HA GLU 5 HA GLU 5 30.647 11.705 -7.713 807 1HB GLU 5 2HB GLU 5 29.703 9.852 -9.537 808 2HB GLU 5 1HB GLU 5 28.654 9.582 -8.144 809 1HG GLU 5 2HG GLU 5 27.518 11.285 -9.268 810 2HG GLU 5 1HG GLU 5 28.481 12.199 -8.107 811 H GLU 6 H GLU 6 29.761 12.028 -5.667 812 HA GLU 6 HA GLU 6 29.770 9.666 -3.819 813 1HB GLU 6 2HB GLU 6 30.691 12.463 -3.713 814 2HB GLU 6 1HB GLU 6 29.802 11.952 -2.277 815 1HG GLU 6 2HG GLU 6 31.887 10.115 -3.392 816 2HG GLU 6 1HG GLU 6 32.411 11.523 -2.467 817 H ASP 7 H ASP 7 27.570 9.037 -4.122 818 HA ASP 7 HA ASP 7 25.222 9.174 -3.837 819 1HB ASP 7 2HB ASP 7 25.988 9.416 -1.537 820 2HB ASP 7 1HB ASP 7 26.292 11.136 -1.782 821 HA PRO 8 HA PRO 8 25.181 13.188 -6.228 822 1HB PRO 8 2HB PRO 8 24.484 12.109 -8.644 823 2HB PRO 8 1HB PRO 8 26.168 12.301 -8.119 824 1HG PRO 8 2HG PRO 8 24.460 9.871 -8.151 825 2HG PRO 8 1HG PRO 8 26.192 10.041 -8.473 826 1HD PRO 8 2HD PRO 8 25.147 9.101 -6.115 827 2HD PRO 8 1HD PRO 8 26.749 9.852 -6.273 828 H CYS 9 H CYS 9 23.011 10.481 -7.159 829 HA CYS 9 HA CYS 9 20.689 12.197 -6.359 830 1HB CYS 9 2HB CYS 9 21.394 10.747 -8.878 831 2HB CYS 9 1HB CYS 9 19.693 10.806 -8.416 832 H GLU 10 H GLU 10 21.649 10.394 -4.522 833 HA GLU 10 HA GLU 10 21.189 8.366 -3.370 834 1HB GLU 10 2HB GLU 10 18.586 9.563 -4.324 835 2HB GLU 10 1HB GLU 10 18.610 8.151 -3.267 836 1HG GLU 10 2HG GLU 10 18.701 9.660 -1.578 837 2HG GLU 10 1HG GLU 10 20.402 9.815 -2.017 838 H CYS 11 H CYS 11 22.075 7.721 -5.984 839 HA CYS 11 HA CYS 11 20.460 6.234 -7.671 840 1HB CYS 11 2HB CYS 11 23.293 6.123 -6.748 841 2HB CYS 11 1HB CYS 11 22.703 4.751 -7.694 842 H LYS 12 H LYS 12 21.562 5.363 -4.446 843 HA LYS 12 HA LYS 12 20.072 2.768 -4.699 844 1HB LYS 12 2HB LYS 12 22.338 3.376 -2.790 845 2HB LYS 12 1HB LYS 12 21.734 1.798 -3.293 846 1HG LYS 12 2HG LYS 12 23.131 3.803 -5.089 847 2HG LYS 12 1HG LYS 12 23.850 2.329 -4.442 848 1HD LYS 12 2HD LYS 12 21.289 1.854 -5.785 849 2HD LYS 12 1HD LYS 12 22.517 2.527 -6.858 850 1HE LYS 12 2HE LYS 12 23.875 0.666 -6.693 851 2HE LYS 12 1HE LYS 12 23.365 0.318 -5.029 852 1HZ LYS 12 2HZ LYS 12 21.567 0.087 -7.380 853 2HZ LYS 12 1HZ LYS 12 22.425 -1.227 -6.731 854 3HZ LYS 12 3HZ LYS 12 21.258 -0.431 -5.793 855 H SER 13 H SER 13 20.165 5.803 -3.178 856 HA SER 13 HA SER 13 19.016 4.965 -0.608 857 1HB SER 13 2HB SER 13 19.842 7.457 -2.013 858 2HB SER 13 1HB SER 13 18.643 7.638 -0.739 859 HG SER 13 HG SER 13 21.209 7.430 -0.438 860 H ILE 14 H ILE 14 17.863 6.070 -3.728 861 HA ILE 14 HA ILE 14 15.107 6.544 -2.848 862 HB ILE 14 HB ILE 14 16.567 6.371 -5.500 863 1HG1 ILE 14 2HG1 ILE 14 15.251 8.808 -4.342 864 2HG1 ILE 14 1HG1 ILE 14 16.820 8.301 -3.723 865 1HG2 ILE 14 2HG2 ILE 14 14.207 5.708 -5.806 866 2HG2 ILE 14 1HG2 ILE 14 13.686 7.173 -4.975 867 3HG2 ILE 14 3HG2 ILE 14 14.517 7.287 -6.525 868 1HD1 ILE 14 1HD1 ILE 14 17.699 8.286 -6.060 869 2HD1 ILE 14 3HD1 ILE 14 16.147 8.918 -6.614 870 3HD1 ILE 14 2HD1 ILE 14 17.163 9.886 -5.544 871 H VAL 15 H VAL 15 16.972 4.053 -4.510 872 HA VAL 15 HA VAL 15 14.641 2.323 -4.964 873 HB VAL 15 HB VAL 15 17.501 1.397 -5.078 874 1HG1 VAL 15 2HG1 VAL 15 15.009 1.051 -6.762 875 2HG1 VAL 15 1HG1 VAL 15 16.592 0.456 -7.262 876 3HG1 VAL 15 3HG1 VAL 15 15.836 -0.173 -5.798 877 1HG2 VAL 15 1HG2 VAL 15 16.253 3.545 -6.795 878 2HG2 VAL 15 3HG2 VAL 15 17.857 3.519 -6.060 879 3HG2 VAL 15 2HG2 VAL 15 17.505 2.484 -7.438 880 H LYS 16 H LYS 16 16.915 3.006 -2.490 881 HA LYS 16 HA LYS 16 16.807 0.469 -1.070 882 1HB LYS 16 2HB LYS 16 18.661 1.834 -0.566 883 2HB LYS 16 1HB LYS 16 17.694 3.308 -0.570 884 1HG LYS 16 2HG LYS 16 16.841 1.379 1.462 885 2HG LYS 16 1HG LYS 16 18.499 1.938 1.688 886 1HD LYS 16 2HD LYS 16 17.346 4.300 1.138 887 2HD LYS 16 1HD LYS 16 15.948 3.470 1.822 888 1HE LYS 16 2HE LYS 16 18.580 3.314 3.271 889 2HE LYS 16 1HE LYS 16 17.578 4.768 3.437 890 1HZ LYS 16 3HZ LYS 16 16.058 2.333 3.541 891 2HZ LYS 16 2HZ LYS 16 17.203 2.437 4.792 892 3HZ LYS 16 1HZ LYS 16 16.042 3.660 4.596 893 H PHE 17 H PHE 17 15.181 3.628 -0.894 894 HA PHE 17 HA PHE 17 13.421 2.960 1.300 895 1HB PHE 17 2HB PHE 17 13.579 5.251 0.857 896 2HB PHE 17 1HB PHE 17 13.619 5.010 -0.889 897 HD1 PHE 17 HD2 PHE 17 11.452 5.274 2.080 898 HD2 PHE 17 HD1 PHE 17 11.570 4.694 -2.173 899 HE1 PHE 17 HE2 PHE 17 9.010 5.676 1.955 900 HE2 PHE 17 HE1 PHE 17 9.128 5.095 -2.298 901 HZ PHE 17 HZ PHE 17 7.846 5.588 -0.233 902 H GLN 18 H GLN 18 13.350 2.520 -2.201 903 HA GLN 18 HA GLN 18 10.635 1.813 -2.595 904 1HB GLN 18 2HB GLN 18 13.277 1.138 -3.851 905 2HB GLN 18 1HB GLN 18 11.832 0.293 -4.409 906 1HG GLN 18 2HG GLN 18 10.772 2.644 -4.599 907 2HG GLN 18 1HG GLN 18 12.425 3.249 -4.491 908 1HE2 GLN 18 2HE2 GLN 18 12.944 0.917 -7.560 909 2HE2 GLN 18 1HE2 GLN 18 13.255 0.580 -5.926 910 H THR 19 H THR 19 13.401 -0.271 -1.733 911 HA THR 19 HA THR 19 11.980 -2.738 -1.554 912 HB THR 19 HB THR 19 14.438 -1.599 -0.194 913 HG1 THR 19 HG1 THR 19 14.175 -2.193 -2.556 914 1HG2 THR 19 2HG2 THR 19 13.266 -3.462 1.124 915 2HG2 THR 19 1HG2 THR 19 13.661 -4.517 -0.233 916 3HG2 THR 19 3HG2 THR 19 14.950 -3.746 0.689 917 H LYS 20 H LYS 20 12.442 -0.111 0.797 918 HA LYS 20 HA LYS 20 11.317 -1.468 3.072 919 1HB LYS 20 2HB LYS 20 11.536 1.450 2.249 920 2HB LYS 20 1HB LYS 20 11.016 0.929 3.852 921 1HG LYS 20 2HG LYS 20 13.248 -0.505 3.738 922 2HG LYS 20 1HG LYS 20 13.720 0.742 2.584 923 1HD LYS 20 2HD LYS 20 14.447 1.525 4.721 924 2HD LYS 20 1HD LYS 20 12.994 2.450 4.339 925 1HE LYS 20 2HE LYS 20 12.244 1.768 6.384 926 2HE LYS 20 1HE LYS 20 11.987 0.190 5.614 927 1HZ LYS 20 1HZ LYS 20 14.671 0.962 6.558 928 2HZ LYS 20 3HZ LYS 20 13.543 0.330 7.657 929 3HZ LYS 20 2HZ LYS 20 14.029 -0.592 6.314 930 H VAL 21 H VAL 21 9.992 0.272 0.339 931 HA VAL 21 HA VAL 21 7.246 0.348 1.370 932 HB VAL 21 HB VAL 21 8.811 1.162 -1.038 933 1HG1 VAL 21 2HG1 VAL 21 5.952 0.296 -1.128 934 2HG1 VAL 21 1HG1 VAL 21 6.400 1.754 -2.015 935 3HG1 VAL 21 3HG1 VAL 21 7.190 0.220 -2.383 936 1HG2 VAL 21 1HG2 VAL 21 6.638 2.432 0.653 937 2HG2 VAL 21 3HG2 VAL 21 8.369 2.761 0.741 938 3HG2 VAL 21 2HG2 VAL 21 7.451 3.238 -0.689 939 H GLU 22 H GLU 22 9.300 -1.865 -0.309 940 HA GLU 22 HA GLU 22 7.218 -3.394 -1.652 941 1HB GLU 22 2HB GLU 22 10.144 -3.561 -1.075 942 2HB GLU 22 1HB GLU 22 9.327 -5.060 -1.508 943 1HG GLU 22 2HG GLU 22 8.294 -3.422 -3.395 944 2HG GLU 22 1HG GLU 22 9.863 -2.651 -3.159 945 H GLU 23 H GLU 23 9.137 -3.833 1.335 946 HA GLU 23 HA GLU 23 7.778 -6.269 2.127 947 1HB GLU 23 2HB GLU 23 9.201 -4.277 3.910 948 2HB GLU 23 1HB GLU 23 9.105 -6.028 4.102 949 1HG GLU 23 2HG GLU 23 10.214 -5.745 1.580 950 2HG GLU 23 1HG GLU 23 10.963 -4.434 2.492 951 H LEU 24 H LEU 24 7.340 -2.816 2.822 952 HA LEU 24 HA LEU 24 5.345 -3.108 4.871 953 1HB LEU 24 2HB LEU 24 6.810 -1.095 3.911 954 2HB LEU 24 1HB LEU 24 5.362 -0.817 2.942 955 HG LEU 24 HG LEU 24 3.991 -0.751 4.983 956 1HD1 LEU 24 3HD1 LEU 24 6.497 -1.768 6.142 957 2HD1 LEU 24 2HD1 LEU 24 5.756 -0.471 7.078 958 3HD1 LEU 24 1HD1 LEU 24 4.840 -1.934 6.722 959 1HD2 LEU 24 2HD2 LEU 24 5.253 1.295 4.074 960 2HD2 LEU 24 1HD2 LEU 24 4.688 1.396 5.742 961 3HD2 LEU 24 3HD2 LEU 24 6.383 1.047 5.404 962 H ILE 25 H ILE 25 5.097 -2.594 1.336 963 HA ILE 25 HA ILE 25 2.272 -2.524 1.135 964 HB ILE 25 HB ILE 25 4.636 -2.883 -0.555 965 1HG1 ILE 25 2HG1 ILE 25 3.471 -1.354 -1.968 966 2HG1 ILE 25 1HG1 ILE 25 1.909 -1.805 -1.287 967 1HG2 ILE 25 3HG2 ILE 25 3.525 -5.040 -1.098 968 2HG2 ILE 25 2HG2 ILE 25 2.048 -4.161 -1.497 969 3HG2 ILE 25 1HG2 ILE 25 3.503 -3.928 -2.468 970 1HD1 ILE 25 1HD1 ILE 25 3.833 -0.862 0.723 971 2HD1 ILE 25 3HD1 ILE 25 3.414 0.359 -0.480 972 3HD1 ILE 25 2HD1 ILE 25 2.148 -0.407 0.478 973 H ASN 26 H ASN 26 4.520 -5.285 1.237 974 HA ASN 26 HA ASN 26 2.622 -7.353 0.705 975 1HB ASN 26 2HB ASN 26 5.255 -7.254 0.964 976 2HB ASN 26 1HB ASN 26 4.898 -7.662 2.642 977 1HD2 ASN 26 2HD2 ASN 26 4.594 -11.060 1.806 978 2HD2 ASN 26 1HD2 ASN 26 5.131 -9.885 2.907 979 H THR 27 H THR 27 3.781 -5.989 3.782 980 HA THR 27 HA THR 27 2.207 -7.521 5.576 981 HB THR 27 HB THR 27 3.350 -4.720 5.564 982 HG1 THR 27 HG1 THR 27 4.713 -6.601 5.660 983 1HG2 THR 27 2HG2 THR 27 1.894 -6.156 7.797 984 2HG2 THR 27 1HG2 THR 27 2.949 -4.766 8.058 985 3HG2 THR 27 3HG2 THR 27 1.487 -4.593 7.086 986 H LEU 28 H LEU 28 1.400 -4.665 3.640 987 HA LEU 28 HA LEU 28 -1.121 -4.078 4.936 988 1HB LEU 28 2HB LEU 28 0.291 -3.410 2.366 989 2HB LEU 28 1HB LEU 28 -1.407 -2.968 2.543 990 HG LEU 28 HG LEU 28 0.340 -2.302 4.845 991 1HD1 LEU 28 2HD1 LEU 28 0.713 -1.173 2.086 992 2HD1 LEU 28 1HD1 LEU 28 0.897 -0.111 3.482 993 3HD1 LEU 28 3HD1 LEU 28 1.927 -1.534 3.313 994 1HD2 LEU 28 1HD2 LEU 28 -2.128 -1.409 3.531 995 2HD2 LEU 28 3HD2 LEU 28 -1.638 -1.252 5.218 996 3HD2 LEU 28 2HD2 LEU 28 -1.090 -0.073 4.026 997 H GLN 29 H GLN 29 -0.216 -5.903 2.017 998 HA GLN 29 HA GLN 29 -2.917 -6.702 1.350 999 1HB GLN 29 2HB GLN 29 -0.616 -6.572 0.030 1000 2HB GLN 29 1HB GLN 29 -0.448 -8.233 0.595 1001 1HG GLN 29 2HG GLN 29 -2.965 -8.396 -0.284 1002 2HG GLN 29 1HG GLN 29 -2.424 -7.076 -1.323 1003 1HE2 GLN 29 2HE2 GLN 29 0.291 -9.288 -2.639 1004 2HE2 GLN 29 1HE2 GLN 29 0.251 -7.810 -1.805 1005 H GLN 30 H GLN 30 -0.776 -7.575 3.814 1006 HA GLN 30 HA GLN 30 -1.616 -10.388 4.068 1007 1HB GLN 30 2HB GLN 30 0.136 -8.449 5.598 1008 2HB GLN 30 1HB GLN 30 -0.179 -10.080 6.187 1009 1HG GLN 30 2HG GLN 30 0.512 -10.214 3.406 1010 2HG GLN 30 1HG GLN 30 1.739 -9.276 4.255 1011 1HE2 GLN 30 2HE2 GLN 30 1.105 -13.021 5.833 1012 2HE2 GLN 30 1HE2 GLN 30 -0.229 -12.041 5.457 1013 H LYS 31 H LYS 31 -1.913 -7.371 5.980 1014 HA LYS 31 HA LYS 31 -3.822 -8.451 7.863 1015 1HB LYS 31 2HB LYS 31 -2.682 -5.813 7.051 1016 2HB LYS 31 1HB LYS 31 -4.187 -5.782 7.971 1017 1HG LYS 31 2HG LYS 31 -1.762 -7.374 8.833 1018 2HG LYS 31 1HG LYS 31 -2.073 -5.724 9.376 1019 1HD LYS 31 2HD LYS 31 -4.211 -6.400 10.329 1020 2HD LYS 31 1HD LYS 31 -4.000 -8.036 9.706 1021 1HE LYS 31 2HE LYS 31 -2.371 -8.573 11.285 1022 2HE LYS 31 1HE LYS 31 -1.862 -6.884 11.478 1023 1HZ LYS 31 2HZ LYS 31 -4.493 -7.986 12.315 1024 2HZ LYS 31 1HZ LYS 31 -3.204 -7.634 13.365 1025 3HZ LYS 31 3HZ LYS 31 -3.971 -6.381 12.518 1026 H LEU 32 H LEU 32 -4.016 -7.349 4.613 1027 HA LEU 32 HA LEU 32 -6.855 -6.612 4.669 1028 1HB LEU 32 2HB LEU 32 -4.882 -5.805 3.148 1029 2HB LEU 32 1HB LEU 32 -5.189 -7.288 2.244 1030 HG LEU 32 HG LEU 32 -7.476 -6.628 1.816 1031 1HD1 LEU 32 3HD1 LEU 32 -6.828 -4.502 3.839 1032 2HD1 LEU 32 2HD1 LEU 32 -8.072 -4.199 2.625 1033 3HD1 LEU 32 1HD1 LEU 32 -8.242 -5.551 3.744 1034 1HD2 LEU 32 1HD2 LEU 32 -5.319 -4.608 1.282 1035 2HD2 LEU 32 3HD2 LEU 32 -6.159 -5.667 0.148 1036 3HD2 LEU 32 2HD2 LEU 32 -6.976 -4.246 0.799 1037 H GLU 33 H GLU 33 -4.894 -9.316 3.371 1038 HA GLU 33 HA GLU 33 -7.177 -10.866 2.494 1039 1HB GLU 33 2HB GLU 33 -4.820 -11.029 1.653 1040 2HB GLU 33 1HB GLU 33 -4.345 -11.706 3.211 1041 1HG GLU 33 2HG GLU 33 -5.200 -13.746 2.712 1042 2HG GLU 33 1HG GLU 33 -6.661 -13.055 2.005 1043 H ALA 34 H ALA 34 -5.704 -10.284 5.544 1044 HA ALA 34 HA ALA 34 -6.761 -12.743 6.812 1045 1HB ALA 34 3HB ALA 34 -4.553 -11.259 7.243 1046 2HB ALA 34 2HB ALA 34 -5.655 -10.412 8.329 1047 3HB ALA 34 1HB ALA 34 -5.347 -12.134 8.552 1048 H VAL 35 H VAL 35 -7.342 -9.290 6.556 1049 HA VAL 35 HA VAL 35 -9.406 -9.036 8.528 1050 HB VAL 35 HB VAL 35 -8.239 -7.578 6.232 1051 1HG1 VAL 35 3HG1 VAL 35 -10.691 -7.590 5.663 1052 2HG1 VAL 35 2HG1 VAL 35 -10.994 -6.788 7.205 1053 3HG1 VAL 35 1HG1 VAL 35 -10.028 -5.988 5.967 1054 1HG2 VAL 35 1HG2 VAL 35 -9.186 -6.876 9.017 1055 2HG2 VAL 35 3HG2 VAL 35 -7.523 -7.047 8.458 1056 3HG2 VAL 35 2HG2 VAL 35 -8.502 -5.689 7.906 1057 H ALA 36 H ALA 36 -9.416 -9.848 5.055 1058 HA ALA 36 HA ALA 36 -12.276 -9.993 4.752 1059 1HB ALA 36 1HB ALA 36 -9.870 -11.157 3.334 1060 2HB ALA 36 3HB ALA 36 -11.511 -11.479 2.774 1061 3HB ALA 36 2HB ALA 36 -10.900 -9.824 2.811 1062 H LYS 37 H LYS 37 -9.807 -12.233 5.899 1063 HA LYS 37 HA LYS 37 -11.465 -14.609 5.855 1064 1HB LYS 37 2HB LYS 37 -8.805 -13.745 6.617 1065 2HB LYS 37 1HB LYS 37 -9.479 -14.804 7.857 1066 1HG LYS 37 2HG LYS 37 -9.250 -16.618 6.537 1067 2HG LYS 37 1HG LYS 37 -10.062 -15.813 5.193 1068 1HD LYS 37 2HD LYS 37 -8.090 -15.068 4.264 1069 2HD LYS 37 1HD LYS 37 -7.280 -14.943 5.827 1070 1HE LYS 37 2HE LYS 37 -8.050 -17.668 4.821 1071 2HE LYS 37 1HE LYS 37 -6.597 -16.884 4.170 1072 1HZ LYS 37 2HZ LYS 37 -5.908 -16.423 6.475 1073 2HZ LYS 37 1HZ LYS 37 -7.238 -17.319 7.041 1074 3HZ LYS 37 3HZ LYS 37 -6.014 -18.090 6.157 1075 H ARG 38 H ARG 38 -10.937 -11.986 8.147 1076 HA ARG 38 HA ARG 38 -12.307 -13.273 10.376 1077 1HB ARG 38 2HB ARG 38 -11.697 -10.355 9.785 1078 2HB ARG 38 1HB ARG 38 -12.062 -11.047 11.366 1079 1HG ARG 38 2HG ARG 38 -9.806 -12.220 9.793 1080 2HG ARG 38 1HG ARG 38 -9.549 -10.679 10.613 1081 1HD ARG 38 2HD ARG 38 -10.823 -12.142 12.569 1082 2HD ARG 38 1HD ARG 38 -9.830 -13.374 11.767 1083 HE ARG 38 HE ARG 38 -8.636 -10.761 12.606 1084 1HH1 ARG 38 1HH2 ARG 38 -7.440 -13.349 11.198 1085 2HH1 ARG 38 2HH2 ARG 38 -6.466 -13.936 12.503 1086 1HH2 ARG 38 2HH1 ARG 38 -7.931 -11.873 14.872 1087 2HH2 ARG 38 1HH1 ARG 38 -6.741 -13.096 14.584 1088 H ILE 39 H ILE 39 -13.125 -11.062 7.755 1089 HA ILE 39 HA ILE 39 -15.759 -10.329 8.572 1090 HB ILE 39 HB ILE 39 -14.261 -10.605 5.968 1091 1HG1 ILE 39 2HG1 ILE 39 -13.972 -8.739 7.784 1092 2HG1 ILE 39 1HG1 ILE 39 -14.069 -8.269 6.090 1093 1HG2 ILE 39 3HG2 ILE 39 -17.182 -10.005 6.374 1094 2HG2 ILE 39 2HG2 ILE 39 -16.303 -9.269 5.034 1095 3HG2 ILE 39 1HG2 ILE 39 -16.418 -11.025 5.155 1096 1HD1 ILE 39 1HD1 ILE 39 -16.700 -8.471 7.359 1097 2HD1 ILE 39 3HD1 ILE 39 -15.658 -7.277 8.130 1098 3HD1 ILE 39 2HD1 ILE 39 -16.011 -7.157 6.406 1099 H GLU 40 H GLU 40 -14.551 -13.026 6.581 1100 HA GLU 40 HA GLU 40 -17.101 -14.251 6.085 1101 1HB GLU 40 2HB GLU 40 -14.351 -15.518 6.371 1102 2HB GLU 40 1HB GLU 40 -15.717 -16.175 5.470 1103 1HG GLU 40 2HG GLU 40 -15.297 -13.519 4.538 1104 2HG GLU 40 1HG GLU 40 -13.724 -14.318 4.572 1105 H ALA 41 H ALA 41 -14.814 -14.310 8.757 1106 HA ALA 41 HA ALA 41 -15.807 -16.562 10.204 1107 1HB ALA 41 2HB ALA 41 -13.826 -14.704 10.489 1108 2HB ALA 41 1HB ALA 41 -14.975 -14.134 11.701 1109 3HB ALA 41 3HB ALA 41 -14.337 -15.775 11.792 1110 H LEU 42 H LEU 42 -16.803 -13.172 10.063 1111 HA LEU 42 HA LEU 42 -18.917 -13.437 12.056 1112 1HB LEU 42 2HB LEU 42 -18.125 -11.404 9.952 1113 2HB LEU 42 1HB LEU 42 -19.538 -11.172 10.967 1114 HG LEU 42 HG LEU 42 -18.038 -10.080 12.302 1115 1HD1 LEU 42 2HD1 LEU 42 -18.681 -12.119 13.597 1116 2HD1 LEU 42 1HD1 LEU 42 -17.210 -12.905 13.023 1117 3HD1 LEU 42 3HD1 LEU 42 -17.103 -11.479 14.055 1118 1HD2 LEU 42 2HD2 LEU 42 -16.258 -10.859 10.421 1119 2HD2 LEU 42 1HD2 LEU 42 -15.796 -10.019 11.902 1120 3HD2 LEU 42 3HD2 LEU 42 -15.660 -11.775 11.804 1121 H GLU 43 H GLU 43 -18.616 -13.734 8.560 1122 HA GLU 43 HA GLU 43 -21.434 -13.728 7.932 1123 1HB GLU 43 2HB GLU 43 -19.025 -14.985 6.577 1124 2HB GLU 43 1HB GLU 43 -20.586 -14.693 5.807 1125 1HG GLU 43 2HG GLU 43 -19.967 -12.245 6.942 1126 2HG GLU 43 1HG GLU 43 -18.410 -12.824 6.353 1127 H ASN 44 H ASN 44 -19.307 -16.046 9.342 1128 HA ASN 44 HA ASN 44 -20.789 -18.442 8.615 1129 1HB ASN 44 2HB ASN 44 -18.595 -17.634 10.501 1130 2HB ASN 44 1HB ASN 44 -19.373 -19.198 10.737 1131 1HD2 ASN 44 2HD2 ASN 44 -16.497 -19.137 8.102 1132 2HD2 ASN 44 1HD2 ASN 44 -16.623 -18.201 9.513 1133 H LYS 45 H LYS 45 -21.143 -15.916 10.938 1134 HA LYS 45 HA LYS 45 -23.165 -17.533 12.447 1135 1HB LYS 45 2HB LYS 45 -21.510 -15.113 13.245 1136 2HB LYS 45 1HB LYS 45 -22.655 -15.951 14.294 1137 1HG LYS 45 2HG LYS 45 -20.568 -16.902 14.866 1138 2HG LYS 45 1HG LYS 45 -21.280 -18.079 13.761 1139 1HD LYS 45 2HD LYS 45 -19.729 -17.691 12.150 1140 2HD LYS 45 1HD LYS 45 -19.734 -15.950 12.430 1141 1HE LYS 45 2HE LYS 45 -17.753 -16.187 13.506 1142 2HE LYS 45 1HE LYS 45 -18.593 -17.136 14.750 1143 1HZ LYS 45 1HZ LYS 45 -17.742 -18.272 12.147 1144 2HZ LYS 45 3HZ LYS 45 -16.775 -18.344 13.537 1145 3HZ LYS 45 2HZ LYS 45 -18.290 -19.113 13.519 1146 H ILE 46 H ILE 46 -22.701 -14.899 10.296 1147 HA ILE 46 HA ILE 46 -25.283 -13.633 11.102 1148 HB ILE 46 HB ILE 46 -23.057 -12.819 9.197 1149 1HG1 ILE 46 2HG1 ILE 46 -22.130 -12.263 11.238 1150 2HG1 ILE 46 1HG1 ILE 46 -23.153 -10.847 11.038 1151 1HG2 ILE 46 2HG2 ILE 46 -25.330 -12.038 8.502 1152 2HG2 ILE 46 1HG2 ILE 46 -25.489 -11.235 10.065 1153 3HG2 ILE 46 3HG2 ILE 46 -24.241 -10.718 8.931 1154 1HD1 ILE 46 3HD1 ILE 46 -24.016 -13.352 12.514 1155 2HD1 ILE 46 2HD1 ILE 46 -23.353 -11.922 13.299 1156 3HD1 ILE 46 1HD1 ILE 46 -24.884 -11.819 12.430 1157 H ILE 47 HN ILE 47 -23.847 -15.754 8.786 1158 HA ILE 47 HA ILE 47 -25.564 -15.297 6.527 1159 HB ILE 47 HB ILE 47 -23.470 -16.577 6.441 1160 1HG1 ILE 47 2HG1 ILE 47 -25.787 -18.462 5.927 1161 2HG1 ILE 47 1HG1 ILE 47 -25.394 -17.107 4.869 1162 1HG2 ILE 47 1HG2 ILE 47 -24.450 -17.726 8.802 1163 2HG2 ILE 47 3HG2 ILE 47 -24.474 -19.037 7.624 1164 3HG2 ILE 47 2HG2 ILE 47 -22.970 -18.177 7.954 1165 1HD1 ILE 47 3HD1 ILE 47 -23.020 -18.088 4.770 1166 2HD1 ILE 47 2HD1 ILE 47 -23.718 -19.546 5.477 1167 3HD1 ILE 47 1HD1 ILE 47 -24.278 -18.971 3.905 No H/Q in entry = 1167 Start of MODEL 5 1 1H GLY 1 1H GLY 1 12.625 -5.470 -16.147 2 2H GLY 1 3H GLY 1 11.689 -4.885 -17.434 3 3H GLY 1 2H GLY 1 11.264 -4.502 -15.835 4 1HA GLY 1 2HA GLY 1 10.382 -6.546 -15.403 5 2HA GLY 1 1HA GLY 1 10.016 -6.382 -17.120 6 H SER 2 H SER 2 12.230 -6.954 -18.447 7 HA SER 2 HA SER 2 13.505 -9.381 -17.298 8 1HB SER 2 2HB SER 2 11.826 -10.568 -18.315 9 2HB SER 2 1HB SER 2 11.413 -9.240 -19.394 10 HG SER 2 HG SER 2 12.347 -10.900 -20.582 11 H HIS 3 H HIS 3 13.118 -7.932 -20.552 12 HA HIS 3 HA HIS 3 15.646 -8.376 -21.592 13 1HB HIS 3 2HB HIS 3 13.632 -7.266 -22.641 14 2HB HIS 3 1HB HIS 3 14.087 -5.782 -21.801 15 HD1 HIS 3 HD1 HIS 3 14.532 -4.664 -24.165 16 HD2 HIS 3 HD2 HIS 3 17.032 -7.874 -23.253 17 HE1 HIS 3 HE1 HIS 3 16.455 -4.566 -25.812 18 H MET 4 H MET 4 14.714 -5.478 -19.689 19 HA MET 4 HA MET 4 16.054 -3.981 -18.445 20 1HB MET 4 2HB MET 4 16.447 -6.306 -17.411 21 2HB MET 4 1HB MET 4 17.967 -6.322 -18.305 22 1HG MET 4 2HG MET 4 18.927 -4.738 -16.965 23 2HG MET 4 1HG MET 4 17.416 -3.851 -16.763 24 1HE MET 4 2HE MET 4 19.206 -3.864 -14.730 25 2HE MET 4 1HE MET 4 17.689 -3.584 -13.880 26 3HE MET 4 3HE MET 4 18.843 -4.775 -13.267 27 H GLU 5 H GLU 5 16.493 -2.778 -20.500 28 HA GLU 5 HA GLU 5 18.837 -3.338 -22.103 29 1HB GLU 5 2HB GLU 5 16.577 -1.782 -22.254 30 2HB GLU 5 1HB GLU 5 17.822 -0.570 -21.948 31 1HG GLU 5 2HG GLU 5 19.154 -1.473 -23.830 32 2HG GLU 5 1HG GLU 5 17.883 -2.655 -24.149 33 H GLU 6 H GLU 6 20.344 -1.111 -22.279 34 HA GLU 6 HA GLU 6 22.154 -1.200 -20.124 35 1HB GLU 6 2HB GLU 6 23.032 0.879 -21.129 36 2HB GLU 6 1HB GLU 6 22.569 -0.267 -22.389 37 1HG GLU 6 2HG GLU 6 20.573 0.912 -22.884 38 2HG GLU 6 1HG GLU 6 20.654 1.840 -21.386 39 H ASP 7 H ASP 7 22.447 0.155 -18.282 40 HA ASP 7 HA ASP 7 20.839 2.415 -17.646 41 1HB ASP 7 2HB ASP 7 19.290 0.265 -17.670 42 2HB ASP 7 1HB ASP 7 19.985 0.013 -16.067 43 HA PRO 8 HA PRO 8 24.359 2.090 -14.880 44 1HB PRO 8 2HB PRO 8 24.449 4.756 -14.272 45 2HB PRO 8 1HB PRO 8 25.125 4.078 -15.765 46 1HG PRO 8 2HG PRO 8 22.579 5.541 -15.337 47 2HG PRO 8 1HG PRO 8 23.677 5.564 -16.723 48 1HD PRO 8 2HD PRO 8 21.307 4.164 -16.634 49 2HD PRO 8 1HD PRO 8 22.671 3.776 -17.706 50 H CYS 9 H CYS 9 21.925 4.550 -13.914 51 HA CYS 9 HA CYS 9 21.874 3.289 -11.200 52 1HB CYS 9 2HB CYS 9 21.617 6.039 -12.336 53 2HB CYS 9 1HB CYS 9 20.709 5.684 -10.860 54 H GLU 10 H GLU 10 20.324 2.052 -13.257 55 HA GLU 10 HA GLU 10 18.091 1.498 -13.833 56 1HB GLU 10 2HB GLU 10 18.115 2.075 -10.860 57 2HB GLU 10 1HB GLU 10 16.740 1.329 -11.673 58 1HG GLU 10 2HG GLU 10 17.811 -0.663 -11.935 59 2HG GLU 10 1HG GLU 10 19.356 0.109 -12.299 60 H CYS 11 H CYS 11 18.670 4.281 -14.388 61 HA CYS 11 HA CYS 11 17.008 6.234 -13.351 62 1HB CYS 11 2HB CYS 11 18.096 5.555 -16.049 63 2HB CYS 11 1HB CYS 11 16.907 6.858 -15.953 64 H LYS 12 H LYS 12 16.077 3.427 -15.218 65 HA LYS 12 HA LYS 12 13.234 4.385 -15.167 66 1HB LYS 12 2HB LYS 12 14.448 2.467 -17.167 67 2HB LYS 12 1HB LYS 12 12.947 3.382 -17.311 68 1HG LYS 12 2HG LYS 12 15.748 4.547 -17.268 69 2HG LYS 12 1HG LYS 12 14.696 4.425 -18.680 70 1HD LYS 12 2HD LYS 12 13.215 5.698 -16.597 71 2HD LYS 12 1HD LYS 12 14.780 6.502 -16.714 72 1HE LYS 12 2HE LYS 12 14.368 6.522 -19.274 73 2HE LYS 12 1HE LYS 12 12.677 6.178 -18.860 74 1HZ LYS 12 3HZ LYS 12 13.185 8.059 -17.090 75 2HZ LYS 12 2HZ LYS 12 14.282 8.553 -18.288 76 3HZ LYS 12 1HZ LYS 12 12.626 8.426 -18.648 77 H SER 13 H SER 13 15.457 2.055 -14.080 78 HA SER 13 HA SER 13 13.577 -0.198 -13.919 79 1HB SER 13 2HB SER 13 16.409 0.439 -13.258 80 2HB SER 13 1HB SER 13 15.672 -0.875 -12.353 81 HG SER 13 HG SER 13 15.160 -1.863 -14.316 82 H ILE 14 H ILE 14 14.651 2.435 -11.884 83 HA ILE 14 HA ILE 14 13.512 1.356 -9.401 84 HB ILE 14 HB ILE 14 14.651 4.021 -10.297 85 1HG1 ILE 14 2HG1 ILE 14 15.895 2.140 -8.318 86 2HG1 ILE 14 1HG1 ILE 14 16.035 1.795 -10.039 87 1HG2 ILE 14 3HG2 ILE 14 13.001 4.183 -8.375 88 2HG2 ILE 14 2HG2 ILE 14 14.087 3.144 -7.452 89 3HG2 ILE 14 1HG2 ILE 14 14.636 4.729 -7.999 90 1HD1 ILE 14 3HD1 ILE 14 16.811 4.426 -8.751 91 2HD1 ILE 14 2HD1 ILE 14 17.948 3.150 -9.185 92 3HD1 ILE 14 1HD1 ILE 14 17.036 3.982 -10.442 93 H VAL 15 H VAL 15 12.735 3.771 -11.853 94 HA VAL 15 HA VAL 15 10.251 4.620 -10.554 95 HB VAL 15 HB VAL 15 10.869 5.088 -13.456 96 1HG1 VAL 15 1HG1 VAL 15 9.881 6.773 -11.138 97 2HG1 VAL 15 3HG1 VAL 15 10.162 7.406 -12.760 98 3HG1 VAL 15 2HG1 VAL 15 8.930 6.173 -12.497 99 1HG2 VAL 15 1HG2 VAL 15 12.533 6.039 -11.119 100 2HG2 VAL 15 3HG2 VAL 15 13.082 5.389 -12.665 101 3HG2 VAL 15 2HG2 VAL 15 12.394 7.011 -12.586 102 H LYS 16 H LYS 16 11.311 2.158 -12.729 103 HA LYS 16 HA LYS 16 8.742 1.567 -13.965 104 1HB LYS 16 2HB LYS 16 10.678 0.819 -15.112 105 2HB LYS 16 1HB LYS 16 11.424 0.215 -13.633 106 1HG LYS 16 2HG LYS 16 10.494 -1.568 -15.194 107 2HG LYS 16 1HG LYS 16 9.924 -1.647 -13.527 108 1HD LYS 16 2HD LYS 16 7.785 -1.125 -14.103 109 2HD LYS 16 1HD LYS 16 8.299 0.071 -15.293 110 1HE LYS 16 2HE LYS 16 8.822 -1.707 -16.904 111 2HE LYS 16 1HE LYS 16 8.388 -2.941 -15.706 112 1HZ LYS 16 1HZ LYS 16 6.485 -0.778 -16.263 113 2HZ LYS 16 3HZ LYS 16 6.606 -2.047 -17.382 114 3HZ LYS 16 2HZ LYS 16 6.187 -2.377 -15.769 115 H PHE 17 H PHE 17 10.657 0.288 -11.251 116 HA PHE 17 HA PHE 17 8.733 -1.690 -10.411 117 1HB PHE 17 2HB PHE 17 10.855 -2.008 -9.506 118 2HB PHE 17 1HB PHE 17 11.146 -0.278 -9.334 119 HD1 PHE 17 HD2 PHE 17 10.256 0.970 -7.419 120 HD2 PHE 17 HD1 PHE 17 9.674 -3.269 -7.782 121 HE1 PHE 17 HE2 PHE 17 9.571 0.865 -5.043 122 HE2 PHE 17 HE1 PHE 17 8.986 -3.376 -5.403 123 HZ PHE 17 HZ PHE 17 8.934 -1.309 -4.031 124 H GLN 18 H GLN 18 9.146 1.765 -9.888 125 HA GLN 18 HA GLN 18 7.412 2.129 -7.652 126 1HB GLN 18 2HB GLN 18 8.415 3.754 -9.959 127 2HB GLN 18 1HB GLN 18 7.145 4.436 -8.940 128 1HG GLN 18 2HG GLN 18 8.600 3.888 -6.937 129 2HG GLN 18 1HG GLN 18 9.890 3.496 -8.075 130 1HE2 GLN 18 2HE2 GLN 18 9.290 7.176 -9.205 131 2HE2 GLN 18 1HE2 GLN 18 8.625 5.764 -9.870 132 H THR 19 H THR 19 6.727 2.195 -11.150 133 HA THR 19 HA THR 19 3.940 2.776 -11.003 134 HB THR 19 HB THR 19 5.733 1.275 -12.924 135 HG1 THR 19 HG1 THR 19 5.630 3.664 -12.578 136 1HG2 THR 19 2HG2 THR 19 2.755 1.767 -13.124 137 2HG2 THR 19 1HG2 THR 19 3.768 1.415 -14.525 138 3HG2 THR 19 3HG2 THR 19 3.599 0.223 -13.236 139 H LYS 20 H LYS 20 5.737 -0.260 -10.682 140 HA LYS 20 HA LYS 20 3.500 -2.061 -10.725 141 1HB LYS 20 2HB LYS 20 6.288 -2.051 -9.548 142 2HB LYS 20 1HB LYS 20 5.217 -3.434 -9.326 143 1HG LYS 20 2HG LYS 20 4.993 -2.894 -12.038 144 2HG LYS 20 1HG LYS 20 6.699 -2.590 -11.707 145 1HD LYS 20 2HD LYS 20 7.101 -4.775 -11.020 146 2HD LYS 20 1HD LYS 20 5.416 -5.054 -10.578 147 1HE LYS 20 2HE LYS 20 4.864 -5.737 -12.685 148 2HE LYS 20 1HE LYS 20 5.834 -4.459 -13.445 149 1HZ LYS 20 2HZ LYS 20 6.992 -6.821 -12.068 150 2HZ LYS 20 1HZ LYS 20 6.766 -6.729 -13.749 151 3HZ LYS 20 3HZ LYS 20 7.826 -5.654 -12.976 152 H VAL 21 H VAL 21 4.999 -0.048 -8.280 153 HA VAL 21 HA VAL 21 3.436 -1.102 -6.043 154 HB VAL 21 HB VAL 21 5.470 1.013 -6.627 155 1HG1 VAL 21 2HG1 VAL 21 3.553 1.058 -4.298 156 2HG1 VAL 21 1HG1 VAL 21 5.178 1.729 -4.158 157 3HG1 VAL 21 3HG1 VAL 21 4.049 2.393 -5.339 158 1HG2 VAL 21 1HG2 VAL 21 5.187 -1.479 -5.100 159 2HG2 VAL 21 3HG2 VAL 21 6.634 -0.739 -5.787 160 3HG2 VAL 21 2HG2 VAL 21 6.032 -0.207 -4.216 161 H GLU 22 H GLU 22 3.032 1.252 -8.552 162 HA GLU 22 HA GLU 22 1.119 2.976 -7.214 163 1HB GLU 22 2HB GLU 22 2.156 2.444 -9.966 164 2HB GLU 22 1HB GLU 22 0.631 3.314 -9.837 165 1HG GLU 22 2HG GLU 22 1.892 4.776 -8.081 166 2HG GLU 22 1HG GLU 22 3.349 4.112 -8.825 167 H GLU 23 H GLU 23 0.817 0.276 -9.542 168 HA GLU 23 HA GLU 23 -2.092 0.243 -9.426 169 1HB GLU 23 2HB GLU 23 -1.776 -1.810 -10.771 170 2HB GLU 23 1HB GLU 23 -0.740 -0.510 -11.361 171 1HG GLU 23 2HG GLU 23 1.194 -1.445 -10.330 172 2HG GLU 23 1HG GLU 23 0.229 -2.560 -9.362 173 H LEU 24 H LEU 24 0.525 -1.365 -7.702 174 HA LEU 24 HA LEU 24 -1.077 -3.437 -6.470 175 1HB LEU 24 2HB LEU 24 1.533 -3.004 -6.770 176 2HB LEU 24 1HB LEU 24 1.356 -2.238 -5.191 177 HG LEU 24 HG LEU 24 0.182 -4.352 -4.420 178 1HD1 LEU 24 3HD1 LEU 24 0.479 -4.943 -7.212 179 2HD1 LEU 24 2HD1 LEU 24 1.395 -6.132 -6.284 180 3HD1 LEU 24 1HD1 LEU 24 -0.326 -5.902 -5.969 181 1HD2 LEU 24 1HD2 LEU 24 2.758 -3.689 -4.287 182 2HD2 LEU 24 3HD2 LEU 24 2.203 -5.274 -3.750 183 3HD2 LEU 24 2HD2 LEU 24 2.935 -5.090 -5.344 184 H ILE 25 H ILE 25 -0.034 -0.184 -5.445 185 HA ILE 25 HA ILE 25 -1.195 -0.257 -2.829 186 HB ILE 25 HB ILE 25 0.110 1.598 -4.655 187 1HG1 ILE 25 2HG1 ILE 25 1.102 2.400 -2.636 188 2HG1 ILE 25 1HG1 ILE 25 -0.247 1.816 -1.661 189 1HG2 ILE 25 1HG2 ILE 25 -2.176 2.683 -4.567 190 2HG2 ILE 25 3HG2 ILE 25 -1.955 2.852 -2.825 191 3HG2 ILE 25 2HG2 ILE 25 -0.866 3.682 -3.938 192 1HD1 ILE 25 1HD1 ILE 25 0.929 -0.339 -3.217 193 2HD1 ILE 25 3HD1 ILE 25 2.138 0.445 -2.198 194 3HD1 ILE 25 2HD1 ILE 25 0.679 -0.231 -1.474 195 H ASN 26 H ASN 26 -2.482 0.747 -6.003 196 HA ASN 26 HA ASN 26 -4.991 1.766 -5.081 197 1HB ASN 26 2HB ASN 26 -3.716 1.689 -7.423 198 2HB ASN 26 1HB ASN 26 -4.725 0.262 -7.662 199 1HD2 ASN 26 2HD2 ASN 26 -7.706 2.115 -8.092 200 2HD2 ASN 26 1HD2 ASN 26 -6.998 0.577 -7.975 201 H THR 27 H THR 27 -3.931 -1.488 -5.993 202 HA THR 27 HA THR 27 -6.464 -2.815 -5.758 203 HB THR 27 HB THR 27 -3.562 -3.636 -5.510 204 HG1 THR 27 HG1 THR 27 -5.473 -4.208 -7.516 205 1HG2 THR 27 1HG2 THR 27 -6.077 -5.296 -5.355 206 2HG2 THR 27 3HG2 THR 27 -4.561 -5.985 -5.936 207 3HG2 THR 27 2HG2 THR 27 -4.666 -5.340 -4.297 208 H LEU 28 H LEU 28 -3.983 -1.932 -3.399 209 HA LEU 28 HA LEU 28 -5.013 -3.567 -1.233 210 1HB LEU 28 2HB LEU 28 -3.131 -1.238 -1.576 211 2HB LEU 28 1HB LEU 28 -3.592 -1.752 0.046 212 HG LEU 28 HG LEU 28 -2.744 -3.876 -1.867 213 1HD1 LEU 28 2HD1 LEU 28 -0.906 -1.812 -0.638 214 2HD1 LEU 28 1HD1 LEU 28 -0.340 -3.421 -1.086 215 3HD1 LEU 28 3HD1 LEU 28 -0.982 -2.338 -2.320 216 1HD2 LEU 28 2HD2 LEU 28 -2.924 -3.377 1.040 217 2HD2 LEU 28 1HD2 LEU 28 -3.094 -4.888 0.146 218 3HD2 LEU 28 3HD2 LEU 28 -1.488 -4.268 0.536 219 H GLN 29 H GLN 29 -5.351 -0.132 -2.129 220 HA GLN 29 HA GLN 29 -7.144 0.561 0.022 221 1HB GLN 29 2HB GLN 29 -5.645 1.927 -1.686 222 2HB GLN 29 1HB GLN 29 -7.106 1.890 -2.672 223 1HG GLN 29 2HG GLN 29 -8.397 2.938 -0.902 224 2HG GLN 29 1HG GLN 29 -7.025 2.848 0.202 225 1HE2 GLN 29 2HE2 GLN 29 -7.157 6.263 -1.417 226 2HE2 GLN 29 1HE2 GLN 29 -8.300 5.350 -0.555 227 H GLN 30 H GLN 30 -7.473 -1.231 -2.876 228 HA GLN 30 HA GLN 30 -10.321 -0.707 -3.321 229 1HB GLN 30 2HB GLN 30 -8.209 -2.586 -4.384 230 2HB GLN 30 1HB GLN 30 -9.895 -2.748 -4.872 231 1HG GLN 30 2HG GLN 30 -8.916 0.013 -4.997 232 2HG GLN 30 1HG GLN 30 -8.052 -1.087 -6.066 233 1HE2 GLN 30 2HE2 GLN 30 -10.674 -0.681 -8.394 234 2HE2 GLN 30 1HE2 GLN 30 -9.013 -0.531 -8.078 235 H LYS 31 H LYS 31 -8.386 -3.528 -2.270 236 HA LYS 31 HA LYS 31 -10.647 -5.103 -1.412 237 1HB LYS 31 2HB LYS 31 -7.665 -5.090 -1.133 238 2HB LYS 31 1HB LYS 31 -8.580 -6.125 -0.033 239 1HG LYS 31 2HG LYS 31 -9.719 -7.158 -1.984 240 2HG LYS 31 1HG LYS 31 -8.746 -6.158 -3.064 241 1HD LYS 31 2HD LYS 31 -6.695 -7.169 -1.909 242 2HD LYS 31 1HD LYS 31 -7.804 -8.348 -1.206 243 1HE LYS 31 2HE LYS 31 -7.324 -7.857 -4.167 244 2HE LYS 31 1HE LYS 31 -6.923 -9.321 -3.249 245 1HZ LYS 31 1HZ LYS 31 -9.388 -9.262 -2.588 246 2HZ LYS 31 3HZ LYS 31 -9.586 -8.243 -3.928 247 3HZ LYS 31 2HZ LYS 31 -8.991 -9.820 -4.142 248 H LEU 32 H LEU 32 -8.995 -2.399 -0.104 249 HA LEU 32 HA LEU 32 -9.632 -2.898 2.714 250 1HB LEU 32 2HB LEU 32 -7.671 -1.597 1.634 251 2HB LEU 32 1HB LEU 32 -8.840 -0.299 1.394 252 HG LEU 32 HG LEU 32 -9.275 -0.167 3.770 253 1HD1 LEU 32 3HD1 LEU 32 -7.657 -2.700 3.804 254 2HD1 LEU 32 2HD1 LEU 32 -7.697 -1.675 5.237 255 3HD1 LEU 32 1HD1 LEU 32 -9.194 -2.352 4.596 256 1HD2 LEU 32 1HD2 LEU 32 -6.471 -0.082 2.761 257 2HD2 LEU 32 3HD2 LEU 32 -7.454 1.207 3.454 258 3HD2 LEU 32 2HD2 LEU 32 -6.688 0.020 4.509 259 H GLU 33 H GLU 33 -10.741 -0.586 0.190 260 HA GLU 33 HA GLU 33 -12.846 0.543 1.805 261 1HB GLU 33 2HB GLU 33 -12.546 0.335 -1.214 262 2HB GLU 33 1HB GLU 33 -13.545 1.506 -0.351 263 1HG GLU 33 2HG GLU 33 -10.717 1.419 0.508 264 2HG GLU 33 1HG GLU 33 -10.976 1.989 -1.142 265 H ALA 34 H ALA 34 -12.545 -2.374 -0.038 266 HA ALA 34 HA ALA 34 -15.447 -2.864 -0.212 267 1HB ALA 34 2HB ALA 34 -13.221 -3.641 -1.638 268 2HB ALA 34 1HB ALA 34 -13.504 -5.058 -0.627 269 3HB ALA 34 3HB ALA 34 -14.774 -4.475 -1.703 270 H VAL 35 H VAL 35 -12.627 -3.798 1.669 271 HA VAL 35 HA VAL 35 -13.718 -5.900 3.234 272 HB VAL 35 HB VAL 35 -11.483 -3.983 3.245 273 1HG1 VAL 35 2HG1 VAL 35 -12.484 -5.085 5.887 274 2HG1 VAL 35 1HG1 VAL 35 -10.897 -4.357 5.639 275 3HG1 VAL 35 3HG1 VAL 35 -12.356 -3.384 5.447 276 1HG2 VAL 35 3HG2 VAL 35 -11.815 -6.858 4.145 277 2HG2 VAL 35 2HG2 VAL 35 -11.244 -6.317 2.566 278 3HG2 VAL 35 1HG2 VAL 35 -10.270 -6.021 4.006 279 H ALA 36 H ALA 36 -13.735 -2.361 3.691 280 HA ALA 36 HA ALA 36 -15.175 -2.354 6.175 281 1HB ALA 36 3HB ALA 36 -13.841 -0.494 5.116 282 2HB ALA 36 2HB ALA 36 -15.144 -0.296 3.945 283 3HB ALA 36 1HB ALA 36 -15.442 0.009 5.656 284 H LYS 37 H LYS 37 -16.140 -2.532 2.786 285 HA LYS 37 HA LYS 37 -18.954 -2.000 3.191 286 1HB LYS 37 2HB LYS 37 -17.092 -2.807 1.094 287 2HB LYS 37 1HB LYS 37 -18.625 -3.667 0.953 288 1HG LYS 37 2HG LYS 37 -19.774 -1.783 0.393 289 2HG LYS 37 1HG LYS 37 -18.882 -0.785 1.542 290 1HD LYS 37 2HD LYS 37 -17.380 -0.124 -0.023 291 2HD LYS 37 1HD LYS 37 -17.233 -1.750 -0.691 292 1HE LYS 37 2HE LYS 37 -18.351 -0.859 -2.482 293 2HE LYS 37 1HE LYS 37 -19.791 -1.055 -1.461 294 1HZ LYS 37 2HZ LYS 37 -18.963 1.169 -0.438 295 2HZ LYS 37 1HZ LYS 37 -18.157 1.348 -1.922 296 3HZ LYS 37 3HZ LYS 37 -19.845 1.192 -1.890 297 H ARG 38 H ARG 38 -16.936 -4.879 3.416 298 HA ARG 38 HA ARG 38 -19.130 -6.780 3.557 299 1HB ARG 38 2HB ARG 38 -16.257 -6.947 4.510 300 2HB ARG 38 1HB ARG 38 -17.309 -8.310 4.134 301 1HG ARG 38 2HG ARG 38 -16.753 -6.194 2.067 302 2HG ARG 38 1HG ARG 38 -15.615 -7.517 2.320 303 1HD ARG 38 2HD ARG 38 -16.981 -8.502 0.723 304 2HD ARG 38 1HD ARG 38 -17.896 -8.952 2.175 305 HE ARG 38 HE ARG 38 -18.666 -6.319 1.342 306 1HH1 ARG 38 1HH2 ARG 38 -18.684 -9.503 0.062 307 2HH1 ARG 38 2HH2 ARG 38 -20.297 -9.395 -0.561 308 1HH2 ARG 38 2HH1 ARG 38 -20.865 -6.226 0.726 309 2HH2 ARG 38 1HH1 ARG 38 -21.533 -7.540 -0.182 310 H ILE 39 H ILE 39 -16.988 -5.216 5.942 311 HA ILE 39 HA ILE 39 -18.063 -6.403 8.293 312 HB ILE 39 HB ILE 39 -16.873 -3.676 7.693 313 1HG1 ILE 39 2HG1 ILE 39 -15.824 -6.353 8.592 314 2HG1 ILE 39 1HG1 ILE 39 -15.214 -5.293 7.324 315 1HG2 ILE 39 1HG2 ILE 39 -18.279 -3.644 9.759 316 2HG2 ILE 39 3HG2 ILE 39 -17.321 -4.981 10.394 317 3HG2 ILE 39 2HG2 ILE 39 -16.564 -3.416 10.105 318 1HD1 ILE 39 1HD1 ILE 39 -14.797 -3.633 9.329 319 2HD1 ILE 39 3HD1 ILE 39 -14.826 -5.111 10.289 320 3HD1 ILE 39 2HD1 ILE 39 -13.643 -4.923 8.995 321 H GLU 40 H GLU 40 -19.073 -3.600 6.374 322 HA GLU 40 HA GLU 40 -21.189 -2.679 8.064 323 1HB GLU 40 2HB GLU 40 -20.818 -2.669 5.046 324 2HB GLU 40 1HB GLU 40 -21.980 -1.666 5.914 325 1HG GLU 40 2HG GLU 40 -19.290 -1.456 7.030 326 2HG GLU 40 1HG GLU 40 -19.351 -0.975 5.336 327 H ALA 41 H ALA 41 -20.936 -5.189 5.597 328 HA ALA 41 HA ALA 41 -23.665 -5.883 5.271 329 1HB ALA 41 3HB ALA 41 -21.296 -6.720 4.298 330 2HB ALA 41 2HB ALA 41 -21.574 -8.009 5.469 331 3HB ALA 41 1HB ALA 41 -22.746 -7.717 4.185 332 H LEU 42 H LEU 42 -21.282 -6.837 7.721 333 HA LEU 42 HA LEU 42 -23.081 -8.605 9.182 334 1HB LEU 42 2HB LEU 42 -20.460 -7.204 9.803 335 2HB LEU 42 1HB LEU 42 -21.225 -8.322 10.918 336 HG LEU 42 HG LEU 42 -20.038 -9.936 9.871 337 1HD1 LEU 42 3HD1 LEU 42 -22.280 -10.342 8.873 338 2HD1 LEU 42 2HD1 LEU 42 -21.832 -9.333 7.499 339 3HD1 LEU 42 1HD1 LEU 42 -20.975 -10.846 7.798 340 1HD2 LEU 42 1HD2 LEU 42 -19.480 -7.669 8.064 341 2HD2 LEU 42 3HD2 LEU 42 -18.374 -8.836 8.788 342 3HD2 LEU 42 2HD2 LEU 42 -19.285 -9.266 7.339 343 H GLU 43 H GLU 43 -22.222 -5.194 9.269 344 HA GLU 43 HA GLU 43 -23.423 -4.558 11.816 345 1HB GLU 43 2HB GLU 43 -22.878 -2.927 9.313 346 2HB GLU 43 1HB GLU 43 -23.206 -2.250 10.911 347 1HG GLU 43 2HG GLU 43 -21.212 -4.112 11.396 348 2HG GLU 43 1HG GLU 43 -20.735 -3.395 9.856 349 H ASN 44 H ASN 44 -24.672 -5.272 8.700 350 HA ASN 44 HA ASN 44 -27.188 -3.805 8.940 351 1HB ASN 44 2HB ASN 44 -26.120 -6.039 7.190 352 2HB ASN 44 1HB ASN 44 -27.735 -5.362 6.982 353 1HD2 ASN 44 2HD2 ASN 44 -25.836 -3.278 4.703 354 2HD2 ASN 44 1HD2 ASN 44 -26.629 -4.778 4.769 355 H LYS 45 H LYS 45 -25.894 -6.740 10.166 356 HA LYS 45 HA LYS 45 -28.629 -7.679 10.955 357 1HB LYS 45 2HB LYS 45 -26.041 -9.132 10.335 358 2HB LYS 45 1HB LYS 45 -27.449 -9.928 11.039 359 1HG LYS 45 2HG LYS 45 -27.580 -10.260 8.659 360 2HG LYS 45 1HG LYS 45 -28.798 -9.055 9.079 361 1HD LYS 45 2HD LYS 45 -27.750 -7.418 7.916 362 2HD LYS 45 1HD LYS 45 -26.157 -7.899 8.500 363 1HE LYS 45 2HE LYS 45 -25.785 -9.321 6.716 364 2HE LYS 45 1HE LYS 45 -27.504 -9.729 6.552 365 1HZ LYS 45 1HZ LYS 45 -27.616 -7.141 6.065 366 2HZ LYS 45 3HZ LYS 45 -26.038 -7.427 5.512 367 3HZ LYS 45 2HZ LYS 45 -27.341 -8.278 4.833 368 H ILE 46 H ILE 46 -25.681 -6.379 12.050 369 HA ILE 46 HA ILE 46 -26.037 -7.546 14.785 370 HB ILE 46 HB ILE 46 -23.755 -6.078 13.421 371 1HG1 ILE 46 2HG1 ILE 46 -23.451 -8.202 12.595 372 2HG1 ILE 46 1HG1 ILE 46 -22.724 -8.465 14.173 373 1HG2 ILE 46 2HG2 ILE 46 -24.070 -7.129 16.237 374 2HG2 ILE 46 1HG2 ILE 46 -22.497 -6.785 15.519 375 3HG2 ILE 46 3HG2 ILE 46 -23.673 -5.487 15.731 376 1HD1 ILE 46 2HD1 ILE 46 -25.089 -9.134 14.958 377 2HD1 ILE 46 1HD1 ILE 46 -25.493 -9.233 13.245 378 3HD1 ILE 46 3HD1 ILE 46 -24.235 -10.269 13.915 379 H ILE 47 HN ILE 47 -26.331 -4.656 12.885 380 HA ILE 47 HA ILE 47 -26.046 -2.683 14.951 381 HB ILE 47 HB ILE 47 -26.049 -2.224 12.532 382 1HG1 ILE 47 2HG1 ILE 47 -28.387 -0.928 13.970 383 2HG1 ILE 47 1HG1 ILE 47 -26.704 -0.418 14.091 384 1HG2 ILE 47 1HG2 ILE 47 -27.998 -4.001 12.274 385 2HG2 ILE 47 3HG2 ILE 47 -29.025 -2.577 12.450 386 3HG2 ILE 47 2HG2 ILE 47 -27.853 -2.662 11.134 387 1HD1 ILE 47 2HD1 ILE 47 -26.705 -0.076 11.597 388 2HD1 ILE 47 1HD1 ILE 47 -28.439 -0.398 11.608 389 3HD1 ILE 47 3HD1 ILE 47 -27.796 1.004 12.466 390 1H GLY 1 1H GLY 1 5.564 17.526 -10.402 391 2H GLY 1 3H GLY 1 5.829 18.618 -9.131 392 3H GLY 1 2H GLY 1 5.693 16.957 -8.806 393 1HA GLY 1 2HA GLY 1 3.431 16.915 -9.110 394 2HA GLY 1 1HA GLY 1 3.682 18.490 -8.357 395 H SER 2 H SER 2 4.622 20.046 -10.383 396 HA SER 2 HA SER 2 2.839 19.709 -12.733 397 1HB SER 2 2HB SER 2 1.317 20.919 -11.477 398 2HB SER 2 1HB SER 2 2.573 21.675 -10.500 399 HG SER 2 HG SER 2 1.620 23.156 -11.952 400 H HIS 3 H HIS 3 4.636 22.425 -11.257 401 HA HIS 3 HA HIS 3 5.691 23.616 -13.521 402 1HB HIS 3 2HB HIS 3 5.922 24.272 -11.096 403 2HB HIS 3 1HB HIS 3 7.191 23.057 -10.943 404 HD1 HIS 3 HD1 HIS 3 8.929 24.984 -10.463 405 HD2 HIS 3 HD2 HIS 3 7.176 25.135 -14.243 406 HE1 HIS 3 HE1 HIS 3 10.326 26.591 -11.836 407 H MET 4 H MET 4 7.297 20.977 -11.689 408 HA MET 4 HA MET 4 8.912 19.400 -12.388 409 1HB MET 4 2HB MET 4 6.890 19.042 -13.926 410 2HB MET 4 1HB MET 4 7.781 19.964 -15.138 411 1HG MET 4 2HG MET 4 9.304 18.291 -15.488 412 2HG MET 4 1HG MET 4 9.282 17.778 -13.801 413 1HE MET 4 2HE MET 4 9.701 15.895 -15.621 414 2HE MET 4 1HE MET 4 8.926 14.912 -14.382 415 3HE MET 4 3HE MET 4 8.431 14.762 -16.073 416 H GLU 5 H GLU 5 10.622 21.029 -11.922 417 HA GLU 5 HA GLU 5 11.635 22.790 -13.989 418 1HB GLU 5 2HB GLU 5 11.916 22.421 -11.267 419 2HB GLU 5 1HB GLU 5 13.476 21.877 -11.881 420 1HG GLU 5 2HG GLU 5 13.670 24.000 -13.174 421 2HG GLU 5 1HG GLU 5 12.161 24.551 -12.445 422 H GLU 6 H GLU 6 14.282 22.383 -14.269 423 HA GLU 6 HA GLU 6 14.594 20.395 -16.232 424 1HB GLU 6 2HB GLU 6 17.008 20.791 -15.851 425 2HB GLU 6 1HB GLU 6 16.107 22.306 -15.801 426 1HG GLU 6 2HG GLU 6 16.226 22.436 -13.443 427 2HG GLU 6 1HG GLU 6 16.659 20.733 -13.287 428 H ASP 7 H ASP 7 15.455 18.255 -16.168 429 HA ASP 7 HA ASP 7 16.425 16.942 -13.839 430 1HB ASP 7 2HB ASP 7 13.881 17.528 -13.431 431 2HB ASP 7 1HB ASP 7 13.603 16.117 -14.450 432 HA PRO 8 HA PRO 8 17.175 14.483 -17.525 433 1HB PRO 8 2HB PRO 8 19.322 13.132 -16.494 434 2HB PRO 8 1HB PRO 8 19.436 14.773 -17.160 435 1HG PRO 8 2HG PRO 8 19.353 13.881 -14.331 436 2HG PRO 8 1HG PRO 8 20.226 15.232 -15.067 437 1HD PRO 8 2HD PRO 8 17.888 15.479 -13.630 438 2HD PRO 8 1HD PRO 8 18.469 16.658 -14.824 439 H CYS 9 H CYS 9 17.889 12.753 -14.457 440 HA CYS 9 HA CYS 9 16.117 10.540 -15.408 441 1HB CYS 9 2HB CYS 9 18.609 10.805 -13.786 442 2HB CYS 9 1HB CYS 9 17.519 9.479 -13.372 443 H GLU 10 H GLU 10 14.840 12.808 -14.266 444 HA GLU 10 HA GLU 10 13.459 13.467 -12.451 445 1HB GLU 10 2HB GLU 10 13.227 10.457 -12.691 446 2HB GLU 10 1HB GLU 10 12.156 11.412 -11.665 447 1HG GLU 10 2HG GLU 10 10.997 12.234 -13.433 448 2HG GLU 10 1HG GLU 10 12.457 12.480 -14.391 449 H CYS 11 H CYS 11 16.213 13.222 -11.635 450 HA CYS 11 HA CYS 11 16.843 11.613 -9.473 451 1HB CYS 11 2HB CYS 11 17.407 14.429 -10.299 452 2HB CYS 11 1HB CYS 11 17.937 13.928 -8.689 453 H LYS 12 H LYS 12 14.470 14.182 -9.601 454 HA LYS 12 HA LYS 12 13.908 13.765 -6.680 455 1HB LYS 12 2HB LYS 12 13.335 16.265 -8.284 456 2HB LYS 12 1HB LYS 12 13.442 16.098 -6.531 457 1HG LYS 12 2HG LYS 12 15.742 15.772 -8.483 458 2HG LYS 12 1HG LYS 12 15.478 17.160 -7.426 459 1HD LYS 12 2HD LYS 12 15.362 14.751 -5.860 460 2HD LYS 12 1HD LYS 12 16.850 14.756 -6.809 461 1HE LYS 12 2HE LYS 12 17.111 17.218 -6.005 462 2HE LYS 12 1HE LYS 12 15.926 16.771 -4.760 463 1HZ LYS 12 3HZ LYS 12 17.524 14.640 -4.728 464 2HZ LYS 12 2HZ LYS 12 18.655 15.842 -5.135 465 3HZ LYS 12 1HZ LYS 12 17.742 15.979 -3.709 466 H SER 13 H SER 13 12.741 13.485 -9.866 467 HA SER 13 HA SER 13 9.897 13.914 -9.258 468 1HB SER 13 2HB SER 13 11.640 13.187 -11.559 469 2HB SER 13 1HB SER 13 9.959 12.678 -11.659 470 HG SER 13 HG SER 13 9.507 14.949 -11.036 471 H ILE 14 H ILE 14 12.150 11.240 -9.384 472 HA ILE 14 HA ILE 14 10.111 9.133 -9.274 473 HB ILE 14 HB ILE 14 13.126 9.280 -8.969 474 1HG1 ILE 14 2HG1 ILE 14 11.594 7.936 -11.176 475 2HG1 ILE 14 1HG1 ILE 14 11.829 9.678 -11.208 476 1HG2 ILE 14 3HG2 ILE 14 12.053 7.358 -7.704 477 2HG2 ILE 14 2HG2 ILE 14 11.446 6.775 -9.254 478 3HG2 ILE 14 1HG2 ILE 14 13.184 6.874 -8.970 479 1HD1 ILE 14 3HD1 ILE 14 14.082 7.678 -10.897 480 2HD1 ILE 14 2HD1 ILE 14 13.620 8.416 -12.431 481 3HD1 ILE 14 1HD1 ILE 14 14.239 9.421 -11.120 482 H VAL 15 H VAL 15 12.392 10.731 -7.105 483 HA VAL 15 HA VAL 15 11.609 9.147 -4.770 484 HB VAL 15 HB VAL 15 13.029 11.787 -4.599 485 1HG1 VAL 15 1HG1 VAL 15 13.336 9.034 -3.380 486 2HG1 VAL 15 3HG1 VAL 15 14.503 10.329 -3.120 487 3HG1 VAL 15 2HG1 VAL 15 12.839 10.519 -2.571 488 1HG2 VAL 15 1HG2 VAL 15 14.017 9.340 -6.070 489 2HG2 VAL 15 3HG2 VAL 15 14.130 11.033 -6.552 490 3HG2 VAL 15 2HG2 VAL 15 15.149 10.416 -5.254 491 H LYS 16 H LYS 16 10.546 11.978 -6.424 492 HA LYS 16 HA LYS 16 9.149 13.242 -4.200 493 1HB LYS 16 2HB LYS 16 9.672 14.644 -6.032 494 2HB LYS 16 1HB LYS 16 9.193 13.428 -7.214 495 1HG LYS 16 2HG LYS 16 7.573 15.365 -6.952 496 2HG LYS 16 1HG LYS 16 6.863 13.766 -6.740 497 1HD LYS 16 2HD LYS 16 6.420 14.118 -4.539 498 2HD LYS 16 1HD LYS 16 7.953 14.947 -4.267 499 1HE LYS 16 2HE LYS 16 7.075 17.010 -5.215 500 2HE LYS 16 1HE LYS 16 5.569 16.194 -5.683 501 1HZ LYS 16 1HZ LYS 16 6.449 15.945 -2.906 502 2HZ LYS 16 3HZ LYS 16 5.796 17.437 -3.379 503 3HZ LYS 16 2HZ LYS 16 4.876 16.018 -3.540 504 H PHE 17 H PHE 17 8.319 11.079 -6.898 505 HA PHE 17 HA PHE 17 5.531 10.777 -6.224 506 1HB PHE 17 2HB PHE 17 6.067 10.072 -8.377 507 2HB PHE 17 1HB PHE 17 7.627 9.419 -7.881 508 HD1 PHE 17 HD2 PHE 17 7.765 7.221 -6.738 509 HD2 PHE 17 HD1 PHE 17 4.067 8.728 -8.316 510 HE1 PHE 17 HE2 PHE 17 6.783 4.953 -6.590 511 HE2 PHE 17 HE1 PHE 17 3.080 6.459 -8.169 512 HZ PHE 17 HZ PHE 17 4.438 4.566 -7.305 513 H GLN 18 H GLN 18 8.533 9.299 -5.133 514 HA GLN 18 HA GLN 18 7.510 7.009 -3.780 515 1HB GLN 18 2HB GLN 18 9.891 8.824 -3.560 516 2HB GLN 18 1HB GLN 18 9.643 7.597 -2.317 517 1HG GLN 18 2HG GLN 18 9.386 5.914 -4.217 518 2HG GLN 18 1HG GLN 18 9.988 7.175 -5.291 519 1HE2 GLN 18 2HE2 GLN 18 13.007 7.034 -2.808 520 2HE2 GLN 18 1HE2 GLN 18 11.658 8.058 -2.718 521 H THR 19 H THR 19 8.038 10.340 -2.615 522 HA THR 19 HA THR 19 7.177 9.967 0.078 523 HB THR 19 HB THR 19 7.135 12.283 -1.874 524 HG1 THR 19 HG1 THR 19 9.044 11.184 -0.682 525 1HG2 THR 19 2HG2 THR 19 6.364 12.245 1.053 526 2HG2 THR 19 1HG2 THR 19 6.750 13.716 0.160 527 3HG2 THR 19 3HG2 THR 19 5.356 12.741 -0.306 528 H LYS 20 H LYS 20 5.355 10.498 -2.915 529 HA LYS 20 HA LYS 20 2.785 10.975 -1.698 530 1HB LYS 20 2HB LYS 20 3.774 9.951 -4.371 531 2HB LYS 20 1HB LYS 20 2.051 10.127 -4.034 532 1HG LYS 20 2HG LYS 20 2.961 12.543 -3.185 533 2HG LYS 20 1HG LYS 20 4.109 12.211 -4.482 534 1HD LYS 20 2HD LYS 20 2.475 12.225 -6.122 535 2HD LYS 20 1HD LYS 20 1.209 11.705 -5.009 536 1HE LYS 20 2HE LYS 20 0.763 13.853 -4.295 537 2HE LYS 20 1HE LYS 20 2.446 14.380 -4.503 538 1HZ LYS 20 2HZ LYS 20 0.601 13.690 -6.730 539 2HZ LYS 20 1HZ LYS 20 0.955 15.275 -6.234 540 3HZ LYS 20 3HZ LYS 20 2.182 14.297 -6.877 541 H VAL 21 H VAL 21 4.647 8.133 -2.547 542 HA VAL 21 HA VAL 21 2.494 6.222 -2.019 543 HB VAL 21 HB VAL 21 5.395 6.250 -2.754 544 1HG1 VAL 21 2HG1 VAL 21 3.965 3.965 -1.412 545 2HG1 VAL 21 1HG1 VAL 21 5.228 3.653 -2.602 546 3HG1 VAL 21 3HG1 VAL 21 5.602 4.559 -1.135 547 1HG2 VAL 21 1HG2 VAL 21 2.791 5.454 -3.880 548 2HG2 VAL 21 3HG2 VAL 21 4.243 6.022 -4.702 549 3HG2 VAL 21 2HG2 VAL 21 4.103 4.330 -4.229 550 H GLU 22 H GLU 22 4.866 7.958 -0.204 551 HA GLU 22 HA GLU 22 5.109 6.124 2.033 552 1HB GLU 22 2HB GLU 22 5.812 8.940 1.317 553 2HB GLU 22 1HB GLU 22 5.803 8.527 3.029 554 1HG GLU 22 2HG GLU 22 7.178 6.427 2.226 555 2HG GLU 22 1HG GLU 22 7.537 7.449 0.834 556 H GLU 23 H GLU 23 3.242 9.125 1.471 557 HA GLU 23 HA GLU 23 1.794 8.924 3.990 558 1HB GLU 23 2HB GLU 23 0.565 10.835 3.061 559 2HB GLU 23 1HB GLU 23 2.287 11.030 2.735 560 1HG GLU 23 2HG GLU 23 2.037 10.357 0.462 561 2HG GLU 23 1HG GLU 23 0.406 9.748 0.745 562 H LEU 24 H LEU 24 1.296 7.789 0.698 563 HA LEU 24 HA LEU 24 -1.524 7.176 0.968 564 1HB LEU 24 2HB LEU 24 0.103 7.455 -1.097 565 2HB LEU 24 1HB LEU 24 0.369 5.727 -0.866 566 HG LEU 24 HG LEU 24 -2.165 5.466 -0.877 567 1HD1 LEU 24 3HD1 LEU 24 -1.936 8.336 -1.027 568 2HD1 LEU 24 2HD1 LEU 24 -2.772 7.737 -2.459 569 3HD1 LEU 24 1HD1 LEU 24 -3.391 7.355 -0.852 570 1HD2 LEU 24 1HD2 LEU 24 -0.475 5.162 -2.852 571 2HD2 LEU 24 3HD2 LEU 24 -2.201 5.228 -3.214 572 3HD2 LEU 24 2HD2 LEU 24 -1.191 6.652 -3.468 573 H ILE 25 H ILE 25 1.480 5.282 1.336 574 HA ILE 25 HA ILE 25 0.219 2.765 1.878 575 HB ILE 25 HB ILE 25 2.852 3.977 1.823 576 1HG1 ILE 25 2HG1 ILE 25 3.495 1.805 1.054 577 2HG1 ILE 25 1HG1 ILE 25 2.116 1.043 1.845 578 1HG2 ILE 25 1HG2 ILE 25 2.681 3.593 4.321 579 2HG2 ILE 25 3HG2 ILE 25 2.507 1.872 3.976 580 3HG2 ILE 25 2HG2 ILE 25 3.990 2.715 3.531 581 1HD1 ILE 25 1HD1 ILE 25 1.198 3.131 0.074 582 2HD1 ILE 25 3HD1 ILE 25 2.241 2.012 -0.806 583 3HD1 ILE 25 2HD1 ILE 25 0.817 1.409 0.045 584 H ASN 26 H ASN 26 1.209 5.465 3.997 585 HA ASN 26 HA ASN 26 0.667 4.171 6.498 586 1HB ASN 26 2HB ASN 26 1.789 6.470 5.785 587 2HB ASN 26 1HB ASN 26 0.157 7.092 6.034 588 1HD2 ASN 26 2HD2 ASN 26 0.360 6.928 9.555 589 2HD2 ASN 26 1HD2 ASN 26 -0.562 7.361 8.196 590 H THR 27 H THR 27 -1.357 6.024 4.266 591 HA THR 27 HA THR 27 -3.740 6.110 5.872 592 HB THR 27 HB THR 27 -3.098 6.242 2.919 593 HG1 THR 27 HG1 THR 27 -3.883 8.126 4.887 594 1HG2 THR 27 1HG2 THR 27 -5.778 6.559 4.294 595 2HG2 THR 27 3HG2 THR 27 -5.445 7.125 2.657 596 3HG2 THR 27 2HG2 THR 27 -5.359 5.404 3.029 597 H LEU 28 H LEU 28 -2.370 3.695 3.679 598 HA LEU 28 HA LEU 28 -4.758 2.049 3.506 599 1HB LEU 28 2HB LEU 28 -1.812 1.764 2.926 600 2HB LEU 28 1HB LEU 28 -2.862 0.348 2.841 601 HG LEU 28 HG LEU 28 -3.789 2.829 1.468 602 1HD1 LEU 28 2HD1 LEU 28 -1.443 1.135 0.628 603 2HD1 LEU 28 1HD1 LEU 28 -2.473 1.894 -0.584 604 3HD1 LEU 28 3HD1 LEU 28 -1.609 2.891 0.587 605 1HD2 LEU 28 2HD2 LEU 28 -4.155 -0.112 1.345 606 2HD2 LEU 28 1HD2 LEU 28 -5.321 1.179 1.057 607 3HD2 LEU 28 3HD2 LEU 28 -4.179 0.722 -0.208 608 H GLN 29 H GLN 29 -1.792 1.936 5.476 609 HA GLN 29 HA GLN 29 -2.536 -0.397 7.005 610 1HB GLN 29 2HB GLN 29 -0.269 0.896 6.570 611 2HB GLN 29 1HB GLN 29 -0.756 1.816 7.993 612 1HG GLN 29 2HG GLN 29 -0.910 -0.222 9.319 613 2HG GLN 29 1HG GLN 29 -0.569 -1.209 7.898 614 1HE2 GLN 29 2HE2 GLN 29 2.608 -0.578 9.867 615 2HE2 GLN 29 1HE2 GLN 29 1.081 -1.167 10.318 616 H GLN 30 H GLN 30 -3.539 2.877 6.992 617 HA GLN 30 HA GLN 30 -4.336 3.042 9.809 618 1HB GLN 30 2HB GLN 30 -4.686 4.674 7.294 619 2HB GLN 30 1HB GLN 30 -5.507 5.124 8.787 620 1HG GLN 30 2HG GLN 30 -2.682 4.487 9.200 621 2HG GLN 30 1HG GLN 30 -2.925 5.840 8.099 622 1HE2 GLN 30 2HE2 GLN 30 -3.246 7.880 10.971 623 2HE2 GLN 30 1HE2 GLN 30 -2.356 7.543 9.565 624 H LYS 31 H LYS 31 -6.058 2.907 6.677 625 HA LYS 31 HA LYS 31 -8.670 2.450 7.808 626 1HB LYS 31 2HB LYS 31 -7.296 2.294 5.157 627 2HB LYS 31 1HB LYS 31 -8.846 1.466 5.307 628 1HG LYS 31 2HG LYS 31 -9.863 3.562 6.164 629 2HG LYS 31 1HG LYS 31 -8.319 4.385 5.936 630 1HD LYS 31 2HD LYS 31 -8.447 3.604 3.492 631 2HD LYS 31 1HD LYS 31 -10.136 3.218 3.824 632 1HE LYS 31 2HE LYS 31 -8.828 5.947 4.125 633 2HE LYS 31 1HE LYS 31 -10.031 5.479 2.908 634 1HZ LYS 31 1HZ LYS 31 -11.439 4.763 4.879 635 2HZ LYS 31 3HZ LYS 31 -10.376 5.666 5.843 636 3HZ LYS 31 2HZ LYS 31 -11.279 6.435 4.628 637 H LEU 32 H LEU 32 -5.895 0.489 7.417 638 HA LEU 32 HA LEU 32 -7.301 -2.087 7.283 639 1HB LEU 32 2HB LEU 32 -4.994 -1.345 6.324 640 2HB LEU 32 1HB LEU 32 -4.405 -1.588 7.969 641 HG LEU 32 HG LEU 32 -5.131 -3.903 7.944 642 1HD1 LEU 32 3HD1 LEU 32 -6.377 -3.083 5.321 643 2HD1 LEU 32 2HD1 LEU 32 -6.014 -4.773 5.668 644 3HD1 LEU 32 1HD1 LEU 32 -7.138 -3.884 6.696 645 1HD2 LEU 32 1HD2 LEU 32 -3.505 -2.911 5.613 646 2HD2 LEU 32 3HD2 LEU 32 -2.965 -3.772 7.054 647 3HD2 LEU 32 2HD2 LEU 32 -3.832 -4.636 5.784 648 H GLU 33 H GLU 33 -5.280 -0.339 9.682 649 HA GLU 33 HA GLU 33 -5.667 -2.258 11.797 650 1HB GLU 33 2HB GLU 33 -5.027 0.716 11.884 651 2HB GLU 33 1HB GLU 33 -4.698 -0.447 13.168 652 1HG GLU 33 2HG GLU 33 -3.626 -1.184 10.513 653 2HG GLU 33 1HG GLU 33 -2.887 0.239 11.248 654 H ALA 34 H ALA 34 -7.619 0.290 10.500 655 HA ALA 34 HA ALA 34 -9.357 0.478 12.880 656 1HB ALA 34 2HB ALA 34 -8.661 2.233 10.950 657 2HB ALA 34 1HB ALA 34 -10.108 1.562 10.197 658 3HB ALA 34 3HB ALA 34 -10.214 2.330 11.781 659 H VAL 35 H VAL 35 -9.261 -0.933 9.657 660 HA VAL 35 HA VAL 35 -11.917 -1.905 9.436 661 HB VAL 35 HB VAL 35 -9.232 -2.364 8.307 662 1HG1 VAL 35 2HG1 VAL 35 -11.265 -4.613 8.267 663 2HG1 VAL 35 1HG1 VAL 35 -9.857 -4.516 7.211 664 3HG1 VAL 35 3HG1 VAL 35 -9.641 -4.677 8.952 665 1HG2 VAL 35 3HG2 VAL 35 -12.053 -2.382 7.199 666 2HG2 VAL 35 2HG2 VAL 35 -10.916 -1.034 7.164 667 3HG2 VAL 35 1HG2 VAL 35 -10.596 -2.483 6.211 668 H ALA 36 H ALA 36 -9.006 -3.308 10.967 669 HA ALA 36 HA ALA 36 -10.254 -5.763 11.816 670 1HB ALA 36 3HB ALA 36 -7.791 -5.222 11.648 671 2HB ALA 36 2HB ALA 36 -7.972 -4.208 13.080 672 3HB ALA 36 1HB ALA 36 -8.251 -5.947 13.190 673 H LYS 37 H LYS 37 -10.073 -2.505 13.148 674 HA LYS 37 HA LYS 37 -11.055 -3.127 15.791 675 1HB LYS 37 2HB LYS 37 -10.420 -0.827 14.099 676 2HB LYS 37 1HB LYS 37 -11.821 -0.520 15.125 677 1HG LYS 37 2HG LYS 37 -10.579 -0.517 17.030 678 2HG LYS 37 1HG LYS 37 -9.577 -1.865 16.492 679 1HD LYS 37 2HD LYS 37 -7.981 -0.489 15.653 680 2HD LYS 37 1HD LYS 37 -9.174 0.592 14.932 681 1HE LYS 37 2HE LYS 37 -8.462 2.038 16.571 682 2HE LYS 37 1HE LYS 37 -9.568 1.103 17.595 683 1HZ LYS 37 2HZ LYS 37 -7.084 -0.249 17.245 684 2HZ LYS 37 1HZ LYS 37 -6.838 1.299 17.897 685 3HZ LYS 37 3HZ LYS 37 -7.865 0.205 18.683 686 H ARG 38 H ARG 38 -12.591 -2.465 12.690 687 HA ARG 38 HA ARG 38 -15.279 -2.152 13.733 688 1HB ARG 38 2HB ARG 38 -14.277 -2.933 10.979 689 2HB ARG 38 1HB ARG 38 -15.846 -2.222 11.357 690 1HG ARG 38 2HG ARG 38 -13.312 -0.805 12.144 691 2HG ARG 38 1HG ARG 38 -13.941 -0.655 10.505 692 1HD ARG 38 2HD ARG 38 -15.068 1.115 11.495 693 2HD ARG 38 1HD ARG 38 -16.220 -0.181 11.873 694 HE ARG 38 HE ARG 38 -14.193 -0.149 13.884 695 1HH1 ARG 38 1HH2 ARG 38 -16.650 1.912 12.625 696 2HH1 ARG 38 2HH2 ARG 38 -17.106 2.536 14.174 697 1HH2 ARG 38 2HH1 ARG 38 -14.863 0.560 15.929 698 2HH2 ARG 38 1HH1 ARG 38 -16.095 1.773 16.044 699 H ILE 39 H ILE 39 -13.482 -4.810 12.177 700 HA ILE 39 HA ILE 39 -15.558 -6.756 12.225 701 HB ILE 39 HB ILE 39 -12.537 -6.919 12.444 702 1HG1 ILE 39 2HG1 ILE 39 -14.578 -6.988 10.234 703 2HG1 ILE 39 1HG1 ILE 39 -13.069 -6.085 10.323 704 1HG2 ILE 39 1HG2 ILE 39 -13.742 -8.937 13.405 705 2HG2 ILE 39 3HG2 ILE 39 -14.443 -9.189 11.807 706 3HG2 ILE 39 2HG2 ILE 39 -12.697 -9.288 12.029 707 1HD1 ILE 39 1HD1 ILE 39 -12.031 -8.542 10.388 708 2HD1 ILE 39 3HD1 ILE 39 -13.531 -8.929 9.551 709 3HD1 ILE 39 2HD1 ILE 39 -12.420 -7.747 8.863 710 H GLU 40 H GLU 40 -13.207 -5.727 14.669 711 HA GLU 40 HA GLU 40 -13.824 -7.692 16.665 712 1HB GLU 40 2HB GLU 40 -12.935 -4.787 16.879 713 2HB GLU 40 1HB GLU 40 -12.798 -5.989 18.164 714 1HG GLU 40 2HG GLU 40 -11.649 -6.885 15.617 715 2HG GLU 40 1HG GLU 40 -10.856 -5.455 16.276 716 H ALA 41 H ALA 41 -15.257 -4.617 15.698 717 HA ALA 41 HA ALA 41 -17.063 -4.200 17.852 718 1HB ALA 41 3HB ALA 41 -16.417 -2.929 15.565 719 2HB ALA 41 2HB ALA 41 -17.919 -3.688 15.036 720 3HB ALA 41 1HB ALA 41 -17.923 -2.594 16.419 721 H LEU 42 H LEU 42 -17.286 -6.213 14.941 722 HA LEU 42 HA LEU 42 -19.997 -7.149 15.488 723 1HB LEU 42 2HB LEU 42 -17.721 -8.031 13.688 724 2HB LEU 42 1HB LEU 42 -19.280 -8.839 13.698 725 HG LEU 42 HG LEU 42 -19.878 -7.349 12.105 726 1HD1 LEU 42 3HD1 LEU 42 -21.073 -6.379 14.050 727 2HD1 LEU 42 2HD1 LEU 42 -19.697 -5.316 14.348 728 3HD1 LEU 42 1HD1 LEU 42 -20.639 -5.145 12.866 729 1HD2 LEU 42 1HD2 LEU 42 -17.292 -6.168 12.913 730 2HD2 LEU 42 3HD2 LEU 42 -17.913 -6.535 11.303 731 3HD2 LEU 42 2HD2 LEU 42 -18.417 -5.059 12.128 732 H GLU 43 H GLU 43 -16.722 -8.180 16.247 733 HA GLU 43 HA GLU 43 -17.357 -10.851 17.147 734 1HB GLU 43 2HB GLU 43 -15.130 -8.904 17.838 735 2HB GLU 43 1HB GLU 43 -15.090 -10.639 18.152 736 1HG GLU 43 2HG GLU 43 -15.807 -10.497 15.484 737 2HG GLU 43 1HG GLU 43 -14.630 -9.196 15.654 738 H ASN 44 H ASN 44 -17.827 -7.709 18.446 739 HA ASN 44 HA ASN 44 -17.839 -8.431 21.272 740 1HB ASN 44 2HB ASN 44 -18.846 -6.108 19.602 741 2HB ASN 44 1HB ASN 44 -19.010 -6.146 21.359 742 1HD2 ASN 44 2HD2 ASN 44 -15.823 -4.518 21.261 743 2HD2 ASN 44 1HD2 ASN 44 -17.491 -4.259 21.438 744 H LYS 45 H LYS 45 -20.003 -8.745 18.619 745 HA LYS 45 HA LYS 45 -22.276 -9.358 20.476 746 1HB LYS 45 2HB LYS 45 -22.140 -8.287 17.639 747 2HB LYS 45 1HB LYS 45 -23.646 -8.778 18.416 748 1HG LYS 45 2HG LYS 45 -23.421 -6.394 18.723 749 2HG LYS 45 1HG LYS 45 -23.111 -7.158 20.280 750 1HD LYS 45 2HD LYS 45 -20.943 -6.493 20.311 751 2HD LYS 45 1HD LYS 45 -20.711 -6.856 18.601 752 1HE LYS 45 2HE LYS 45 -21.371 -4.734 17.921 753 2HE LYS 45 1HE LYS 45 -22.419 -4.498 19.336 754 1HZ LYS 45 1HZ LYS 45 -20.158 -4.774 20.596 755 2HZ LYS 45 3HZ LYS 45 -19.500 -4.243 19.125 756 3HZ LYS 45 2HZ LYS 45 -20.611 -3.265 19.961 757 H ILE 46 H ILE 46 -20.033 -10.627 18.240 758 HA ILE 46 HA ILE 46 -21.779 -12.965 17.593 759 HB ILE 46 HB ILE 46 -19.155 -11.920 16.476 760 1HG1 ILE 46 2HG1 ILE 46 -20.692 -10.561 15.424 761 2HG1 ILE 46 1HG1 ILE 46 -20.828 -11.962 14.369 762 1HG2 ILE 46 2HG2 ILE 46 -20.711 -14.437 15.936 763 2HG2 ILE 46 1HG2 ILE 46 -19.708 -13.713 14.678 764 3HG2 ILE 46 3HG2 ILE 46 -18.978 -14.240 16.196 765 1HD1 ILE 46 2HD1 ILE 46 -22.614 -11.507 16.778 766 2HD1 ILE 46 1HD1 ILE 46 -23.043 -11.035 15.137 767 3HD1 ILE 46 3HD1 ILE 46 -22.802 -12.736 15.528 768 H ILE 47 HN ILE 47 -19.122 -11.943 19.557 769 HA ILE 47 HA ILE 47 -17.779 -14.497 19.834 770 HB ILE 47 HB ILE 47 -16.780 -12.298 20.364 771 1HG1 ILE 47 2HG1 ILE 47 -17.068 -14.098 22.795 772 2HG1 ILE 47 1HG1 ILE 47 -15.907 -14.327 21.484 773 1HG2 ILE 47 1HG2 ILE 47 -19.068 -11.505 21.369 774 2HG2 ILE 47 3HG2 ILE 47 -18.452 -12.208 22.864 775 3HG2 ILE 47 2HG2 ILE 47 -17.569 -10.902 22.074 776 1HD1 ILE 47 2HD1 ILE 47 -14.997 -12.033 21.993 777 2HD1 ILE 47 1HD1 ILE 47 -16.043 -11.991 23.413 778 3HD1 ILE 47 3HD1 ILE 47 -14.763 -13.200 23.294 779 1H GLY 1 1H GLY 1 20.374 4.794 5.018 780 2H GLY 1 3H GLY 1 20.995 3.226 4.831 781 3H GLY 1 2H GLY 1 19.398 3.569 4.358 782 1HA GLY 1 2HA GLY 1 18.585 3.503 6.451 783 2HA GLY 1 1HA GLY 1 19.962 2.418 6.655 784 H SER 2 H SER 2 22.124 3.860 6.941 785 HA SER 2 HA SER 2 21.593 6.188 8.713 786 1HB SER 2 2HB SER 2 21.564 4.589 10.386 787 2HB SER 2 1HB SER 2 22.581 3.472 9.479 788 HG SER 2 HG SER 2 24.021 4.232 10.850 789 H HIS 3 H HIS 3 24.330 3.989 7.942 790 HA HIS 3 HA HIS 3 26.419 5.829 7.988 791 1HB HIS 3 2HB HIS 3 26.489 3.336 7.595 792 2HB HIS 3 1HB HIS 3 26.007 3.640 5.926 793 HD1 HIS 3 HD1 HIS 3 28.370 2.676 5.170 794 HD2 HIS 3 HD2 HIS 3 28.540 6.187 7.411 795 HE1 HIS 3 HE1 HIS 3 30.710 3.602 4.875 796 H MET 4 H MET 4 24.449 5.002 5.107 797 HA MET 4 HA MET 4 24.029 6.250 3.143 798 1HB MET 4 2HB MET 4 23.171 7.692 5.071 799 2HB MET 4 1HB MET 4 24.682 8.594 4.946 800 1HG MET 4 2HG MET 4 24.103 9.559 2.946 801 2HG MET 4 1HG MET 4 23.182 8.153 2.414 802 1HE MET 4 2HE MET 4 22.245 10.522 1.605 803 2HE MET 4 1HE MET 4 20.803 9.509 1.635 804 3HE MET 4 3HE MET 4 20.755 11.143 2.312 805 H GLU 5 H GLU 5 26.079 5.404 2.212 806 HA GLU 5 HA GLU 5 28.568 6.874 2.454 807 1HB GLU 5 2HB GLU 5 27.686 4.420 1.524 808 2HB GLU 5 1HB GLU 5 28.122 5.263 0.037 809 1HG GLU 5 2HG GLU 5 30.331 5.832 1.064 810 2HG GLU 5 1HG GLU 5 29.893 4.849 2.462 811 H GLU 6 H GLU 6 29.544 7.484 0.073 812 HA GLU 6 HA GLU 6 28.489 9.943 -0.725 813 1HB GLU 6 2HB GLU 6 29.892 9.622 -2.705 814 2HB GLU 6 1HB GLU 6 30.705 8.927 -1.302 815 1HG GLU 6 2HG GLU 6 30.125 6.707 -1.934 816 2HG GLU 6 1HG GLU 6 28.944 7.272 -3.116 817 H ASP 7 H ASP 7 27.041 10.591 -2.399 818 HA ASP 7 HA ASP 7 25.796 8.831 -4.256 819 1HB ASP 7 2HB ASP 7 25.026 8.173 -1.799 820 2HB ASP 7 1HB ASP 7 23.908 9.516 -2.037 821 HA PRO 8 HA PRO 8 24.950 13.112 -5.312 822 1HB PRO 8 2HB PRO 8 24.533 12.638 -7.976 823 2HB PRO 8 1HB PRO 8 26.150 12.773 -7.258 824 1HG PRO 8 2HG PRO 8 24.638 10.354 -8.071 825 2HG PRO 8 1HG PRO 8 26.375 10.678 -8.133 826 1HD PRO 8 2HD PRO 8 25.137 9.135 -6.213 827 2HD PRO 8 1HD PRO 8 26.714 9.927 -6.015 828 H CYS 9 H CYS 9 23.051 10.757 -7.245 829 HA CYS 9 HA CYS 9 20.576 12.234 -6.446 830 1HB CYS 9 2HB CYS 9 21.553 10.741 -8.842 831 2HB CYS 9 1HB CYS 9 19.818 10.692 -8.513 832 H GLU 10 H GLU 10 21.594 10.428 -4.532 833 HA GLU 10 HA GLU 10 21.086 8.418 -3.372 834 1HB GLU 10 2HB GLU 10 18.483 9.547 -4.427 835 2HB GLU 10 1HB GLU 10 18.535 8.227 -3.258 836 1HG GLU 10 2HG GLU 10 19.065 9.617 -1.556 837 2HG GLU 10 1HG GLU 10 20.286 10.451 -2.518 838 H CYS 11 H CYS 11 21.962 7.859 -6.068 839 HA CYS 11 HA CYS 11 20.374 6.314 -7.716 840 1HB CYS 11 2HB CYS 11 23.226 6.275 -6.841 841 2HB CYS 11 1HB CYS 11 22.654 4.893 -7.781 842 H LYS 12 H LYS 12 21.498 5.508 -4.492 843 HA LYS 12 HA LYS 12 20.127 2.847 -4.731 844 1HB LYS 12 2HB LYS 12 22.382 3.566 -2.847 845 2HB LYS 12 1HB LYS 12 21.837 1.958 -3.323 846 1HG LYS 12 2HG LYS 12 23.156 3.998 -5.140 847 2HG LYS 12 1HG LYS 12 23.908 2.530 -4.512 848 1HD LYS 12 2HD LYS 12 21.428 1.788 -5.711 849 2HD LYS 12 1HD LYS 12 22.288 2.823 -6.851 850 1HE LYS 12 2HE LYS 12 24.364 1.361 -6.311 851 2HE LYS 12 1HE LYS 12 23.192 0.206 -5.648 852 1HZ LYS 12 3HZ LYS 12 21.951 0.836 -7.877 853 2HZ LYS 12 2HZ LYS 12 23.541 1.119 -8.404 854 3HZ LYS 12 1HZ LYS 12 23.096 -0.413 -7.820 855 H SER 13 H SER 13 20.111 5.892 -3.227 856 HA SER 13 HA SER 13 18.999 5.029 -0.646 857 1HB SER 13 2HB SER 13 19.767 7.534 -2.056 858 2HB SER 13 1HB SER 13 18.572 7.690 -0.773 859 HG SER 13 HG SER 13 20.049 6.583 0.592 860 H ILE 14 H ILE 14 17.798 6.091 -3.763 861 HA ILE 14 HA ILE 14 15.038 6.515 -2.858 862 HB ILE 14 HB ILE 14 16.447 6.315 -5.536 863 1HG1 ILE 14 2HG1 ILE 14 15.183 8.773 -4.377 864 2HG1 ILE 14 1HG1 ILE 14 16.762 8.264 -3.788 865 1HG2 ILE 14 3HG2 ILE 14 13.979 5.678 -5.578 866 2HG2 ILE 14 2HG2 ILE 14 13.632 7.322 -5.044 867 3HG2 ILE 14 1HG2 ILE 14 14.424 7.046 -6.596 868 1HD1 ILE 14 3HD1 ILE 14 16.112 8.641 -6.722 869 2HD1 ILE 14 2HD1 ILE 14 16.871 9.879 -5.720 870 3HD1 ILE 14 1HD1 ILE 14 17.700 8.350 -6.013 871 H VAL 15 H VAL 15 16.941 4.071 -4.533 872 HA VAL 15 HA VAL 15 14.664 2.274 -4.960 873 HB VAL 15 HB VAL 15 17.539 1.417 -5.092 874 1HG1 VAL 15 1HG1 VAL 15 15.116 1.093 -6.886 875 2HG1 VAL 15 3HG1 VAL 15 16.703 0.394 -7.209 876 3HG1 VAL 15 2HG1 VAL 15 15.783 -0.124 -5.798 877 1HG2 VAL 15 1HG2 VAL 15 16.261 3.575 -6.772 878 2HG2 VAL 15 3HG2 VAL 15 17.870 3.550 -6.049 879 3HG2 VAL 15 2HG2 VAL 15 17.517 2.535 -7.444 880 H LYS 16 H LYS 16 16.986 2.963 -2.506 881 HA LYS 16 HA LYS 16 16.873 0.397 -1.117 882 1HB LYS 16 2HB LYS 16 18.773 1.745 -0.672 883 2HB LYS 16 1HB LYS 16 17.805 3.213 -0.532 884 1HG LYS 16 2HG LYS 16 18.664 2.266 1.669 885 2HG LYS 16 1HG LYS 16 16.924 2.535 1.593 886 1HD LYS 16 2HD LYS 16 16.441 0.308 1.672 887 2HD LYS 16 1HD LYS 16 17.826 -0.128 0.668 888 1HE LYS 16 2HE LYS 16 19.343 0.198 2.590 889 2HE LYS 16 1HE LYS 16 17.959 0.649 3.606 890 1HZ LYS 16 1HZ LYS 16 17.858 -1.843 2.048 891 2HZ LYS 16 3HZ LYS 16 18.724 -1.823 3.506 892 3HZ LYS 16 2HZ LYS 16 17.066 -1.450 3.498 893 H PHE 17 H PHE 17 15.298 3.567 -0.888 894 HA PHE 17 HA PHE 17 13.600 2.932 1.362 895 1HB PHE 17 2HB PHE 17 13.778 5.218 0.931 896 2HB PHE 17 1HB PHE 17 13.810 4.985 -0.816 897 HD1 PHE 17 HD2 PHE 17 11.742 4.695 -2.093 898 HD2 PHE 17 HD1 PHE 17 11.664 5.329 2.154 899 HE1 PHE 17 HE2 PHE 17 9.314 5.174 -2.211 900 HE2 PHE 17 HE1 PHE 17 9.234 5.806 2.037 901 HZ PHE 17 HZ PHE 17 8.056 5.731 -0.145 902 H GLN 18 H GLN 18 13.454 2.440 -2.120 903 HA GLN 18 HA GLN 18 10.692 1.795 -2.421 904 1HB GLN 18 2HB GLN 18 13.272 1.139 -3.804 905 2HB GLN 18 1HB GLN 18 11.798 0.322 -4.320 906 1HG GLN 18 2HG GLN 18 10.720 2.605 -4.513 907 2HG GLN 18 1HG GLN 18 12.320 3.303 -4.259 908 1HE2 GLN 18 2HE2 GLN 18 13.184 1.187 -7.407 909 2HE2 GLN 18 1HE2 GLN 18 13.408 0.774 -5.778 910 H THR 19 H THR 19 13.490 -0.302 -1.708 911 HA THR 19 HA THR 19 12.113 -2.790 -1.585 912 HB THR 19 HB THR 19 14.556 -1.618 -0.237 913 HG1 THR 19 HG1 THR 19 14.204 -2.351 -2.590 914 1HG2 THR 19 2HG2 THR 19 13.381 -4.389 0.028 915 2HG2 THR 19 1HG2 THR 19 15.087 -4.052 0.323 916 3HG2 THR 19 3HG2 THR 19 13.851 -3.282 1.319 917 H LYS 20 H LYS 20 12.457 -0.181 0.784 918 HA LYS 20 HA LYS 20 11.373 -1.592 3.053 919 1HB LYS 20 2HB LYS 20 11.588 1.309 2.201 920 2HB LYS 20 1HB LYS 20 10.906 0.844 3.760 921 1HG LYS 20 2HG LYS 20 13.228 -0.629 3.695 922 2HG LYS 20 1HG LYS 20 13.713 0.854 2.871 923 1HD LYS 20 2HD LYS 20 13.326 2.181 4.732 924 2HD LYS 20 1HD LYS 20 12.112 1.083 5.391 925 1HE LYS 20 2HE LYS 20 13.676 -0.194 6.480 926 2HE LYS 20 1HE LYS 20 14.863 -0.029 5.170 927 1HZ LYS 20 2HZ LYS 20 14.055 2.251 6.883 928 2HZ LYS 20 1HZ LYS 20 15.368 1.246 7.278 929 3HZ LYS 20 3HZ LYS 20 15.393 2.148 5.841 930 H VAL 21 H VAL 21 10.028 0.157 0.332 931 HA VAL 21 HA VAL 21 7.268 0.112 1.311 932 HB VAL 21 HB VAL 21 8.822 0.961 -1.102 933 1HG1 VAL 21 2HG1 VAL 21 5.881 0.314 -1.066 934 2HG1 VAL 21 1HG1 VAL 21 6.508 1.593 -2.106 935 3HG1 VAL 21 3HG1 VAL 21 7.079 -0.064 -2.304 936 1HG2 VAL 21 1HG2 VAL 21 7.285 2.140 1.097 937 2HG2 VAL 21 3HG2 VAL 21 8.562 2.856 0.112 938 3HG2 VAL 21 2HG2 VAL 21 6.898 2.852 -0.469 939 H GLU 22 H GLU 22 9.405 -2.040 -0.327 940 HA GLU 22 HA GLU 22 7.412 -3.581 -1.780 941 1HB GLU 22 2HB GLU 22 10.306 -3.733 -1.039 942 2HB GLU 22 1HB GLU 22 9.524 -5.233 -1.535 943 1HG GLU 22 2HG GLU 22 8.611 -3.807 -3.527 944 2HG GLU 22 1HG GLU 22 9.925 -2.704 -3.112 945 H GLU 23 H GLU 23 9.198 -4.049 1.283 946 HA GLU 23 HA GLU 23 7.725 -6.459 2.006 947 1HB GLU 23 2HB GLU 23 8.960 -6.173 4.121 948 2HB GLU 23 1HB GLU 23 10.035 -5.906 2.749 949 1HG GLU 23 2HG GLU 23 9.898 -3.520 2.999 950 2HG GLU 23 1HG GLU 23 8.593 -3.660 4.178 951 H LEU 24 H LEU 24 7.373 -2.998 2.581 952 HA LEU 24 HA LEU 24 5.436 -3.184 4.720 953 1HB LEU 24 2HB LEU 24 6.962 -1.241 3.742 954 2HB LEU 24 1HB LEU 24 5.534 -0.917 2.758 955 HG LEU 24 HG LEU 24 4.198 -0.978 4.938 956 1HD1 LEU 24 3HD1 LEU 24 6.763 -1.725 5.923 957 2HD1 LEU 24 2HD1 LEU 24 6.383 -0.141 6.598 958 3HD1 LEU 24 1HD1 LEU 24 5.276 -1.493 6.843 959 1HD2 LEU 24 1HD2 LEU 24 4.990 1.097 3.654 960 2HD2 LEU 24 3HD2 LEU 24 4.610 1.335 5.361 961 3HD2 LEU 24 2HD2 LEU 24 6.291 1.205 4.841 962 H ILE 25 H ILE 25 5.167 -2.829 1.175 963 HA ILE 25 HA ILE 25 2.306 -2.634 1.088 964 HB ILE 25 HB ILE 25 4.587 -2.837 -0.690 965 1HG1 ILE 25 2HG1 ILE 25 3.265 -1.399 -2.058 966 2HG1 ILE 25 1HG1 ILE 25 1.761 -1.998 -1.357 967 1HG2 ILE 25 1HG2 ILE 25 3.613 -5.092 -1.197 968 2HG2 ILE 25 3HG2 ILE 25 2.106 -4.294 -1.651 969 3HG2 ILE 25 2HG2 ILE 25 3.578 -3.992 -2.575 970 1HD1 ILE 25 1HD1 ILE 25 3.520 -0.977 0.712 971 2HD1 ILE 25 3HD1 ILE 25 3.222 0.252 -0.520 972 3HD1 ILE 25 2HD1 ILE 25 1.867 -0.500 0.323 973 H ASN 26 H ASN 26 4.535 -5.419 1.006 974 HA ASN 26 HA ASN 26 2.574 -7.435 0.462 975 1HB ASN 26 2HB ASN 26 5.229 -7.376 0.606 976 2HB ASN 26 1HB ASN 26 4.926 -7.909 2.259 977 1HD2 ASN 26 2HD2 ASN 26 3.961 -11.175 1.316 978 2HD2 ASN 26 1HD2 ASN 26 4.167 -10.066 2.586 979 H THR 27 H THR 27 3.737 -5.973 3.463 980 HA THR 27 HA THR 27 2.304 -7.667 5.296 981 HB THR 27 HB THR 27 3.434 -4.860 5.362 982 HG1 THR 27 HG1 THR 27 4.253 -7.228 6.680 983 1HG2 THR 27 1HG2 THR 27 2.101 -6.453 7.559 984 2HG2 THR 27 3HG2 THR 27 3.212 -5.125 7.888 985 3HG2 THR 27 2HG2 THR 27 1.710 -4.821 7.016 986 H LEU 28 H LEU 28 1.443 -4.769 3.470 987 HA LEU 28 HA LEU 28 -1.019 -4.222 4.908 988 1HB LEU 28 2HB LEU 28 0.281 -3.418 2.312 989 2HB LEU 28 1HB LEU 28 -1.397 -2.963 2.618 990 HG LEU 28 HG LEU 28 0.568 -2.480 4.804 991 1HD1 LEU 28 2HD1 LEU 28 0.433 -0.915 2.217 992 2HD1 LEU 28 1HD1 LEU 28 1.060 -0.226 3.715 993 3HD1 LEU 28 3HD1 LEU 28 1.860 -1.616 2.981 994 1HD2 LEU 28 2HD2 LEU 28 -2.047 -1.486 3.834 995 2HD2 LEU 28 1HD2 LEU 28 -1.443 -1.638 5.483 996 3HD2 LEU 28 3HD2 LEU 28 -0.978 -0.250 4.499 997 H GLN 29 H GLN 29 -0.213 -5.934 1.891 998 HA GLN 29 HA GLN 29 -2.935 -6.675 1.252 999 1HB GLN 29 2HB GLN 29 -0.664 -6.580 -0.111 1000 2HB GLN 29 1HB GLN 29 -0.496 -8.242 0.453 1001 1HG GLN 29 2HG GLN 29 -2.608 -8.866 -0.555 1002 2HG GLN 29 1HG GLN 29 -2.957 -7.187 -0.969 1003 1HE2 GLN 29 2HE2 GLN 29 -1.486 -8.945 -3.965 1004 2HE2 GLN 29 1HE2 GLN 29 -2.816 -9.272 -2.963 1005 H GLN 30 H GLN 30 -0.618 -7.732 3.539 1006 HA GLN 30 HA GLN 30 -1.567 -10.487 3.813 1007 1HB GLN 30 2HB GLN 30 0.285 -8.610 5.286 1008 2HB GLN 30 1HB GLN 30 -0.082 -10.213 5.924 1009 1HG GLN 30 2HG GLN 30 0.584 -10.253 3.076 1010 2HG GLN 30 1HG GLN 30 1.893 -9.634 4.076 1011 1HE2 GLN 30 2HE2 GLN 30 2.782 -12.994 4.704 1012 2HE2 GLN 30 1HE2 GLN 30 3.253 -11.497 4.059 1013 H LYS 31 H LYS 31 -1.701 -7.550 5.861 1014 HA LYS 31 HA LYS 31 -3.585 -8.624 7.756 1015 1HB LYS 31 2HB LYS 31 -2.506 -5.944 6.936 1016 2HB LYS 31 1HB LYS 31 -3.902 -5.992 8.012 1017 1HG LYS 31 2HG LYS 31 -2.644 -7.462 9.562 1018 2HG LYS 31 1HG LYS 31 -1.241 -7.367 8.497 1019 1HD LYS 31 2HD LYS 31 -1.352 -4.840 8.761 1020 2HD LYS 31 1HD LYS 31 -2.543 -5.107 10.035 1021 1HE LYS 31 2HE LYS 31 0.307 -6.162 9.999 1022 2HE LYS 31 1HE LYS 31 -0.346 -4.911 11.076 1023 1HZ LYS 31 1HZ LYS 31 -2.119 -6.678 11.600 1024 2HZ LYS 31 3HZ LYS 31 -0.997 -7.787 10.981 1025 3HZ LYS 31 2HZ LYS 31 -0.590 -6.831 12.324 1026 H LEU 32 H LEU 32 -3.855 -7.457 4.540 1027 HA LEU 32 HA LEU 32 -6.664 -6.638 4.679 1028 1HB LEU 32 2HB LEU 32 -4.709 -5.861 3.137 1029 2HB LEU 32 1HB LEU 32 -5.066 -7.318 2.211 1030 HG LEU 32 HG LEU 32 -7.349 -6.597 1.849 1031 1HD1 LEU 32 3HD1 LEU 32 -6.588 -4.440 3.816 1032 2HD1 LEU 32 2HD1 LEU 32 -7.929 -4.216 2.691 1033 3HD1 LEU 32 1HD1 LEU 32 -7.971 -5.533 3.863 1034 1HD2 LEU 32 1HD2 LEU 32 -5.127 -4.668 1.272 1035 2HD2 LEU 32 3HD2 LEU 32 -6.065 -5.657 0.154 1036 3HD2 LEU 32 2HD2 LEU 32 -6.778 -4.205 0.857 1037 H GLU 33 H GLU 33 -4.860 -9.367 3.181 1038 HA GLU 33 HA GLU 33 -7.225 -10.785 2.343 1039 1HB GLU 33 2HB GLU 33 -4.438 -11.798 3.008 1040 2HB GLU 33 1HB GLU 33 -5.618 -12.608 1.977 1041 1HG GLU 33 2HG GLU 33 -5.063 -9.816 1.210 1042 2HG GLU 33 1HG GLU 33 -3.677 -10.897 1.062 1043 H ALA 34 H ALA 34 -5.598 -10.438 5.373 1044 HA ALA 34 HA ALA 34 -6.815 -12.834 6.592 1045 1HB ALA 34 2HB ALA 34 -4.530 -11.425 7.025 1046 2HB ALA 34 1HB ALA 34 -5.588 -10.647 8.202 1047 3HB ALA 34 3HB ALA 34 -5.305 -12.386 8.285 1048 H VAL 35 H VAL 35 -7.178 -9.337 6.472 1049 HA VAL 35 HA VAL 35 -9.170 -8.966 8.465 1050 HB VAL 35 HB VAL 35 -8.024 -7.620 6.109 1051 1HG1 VAL 35 2HG1 VAL 35 -10.861 -6.978 6.958 1052 2HG1 VAL 35 1HG1 VAL 35 -9.849 -5.905 5.991 1053 3HG1 VAL 35 3HG1 VAL 35 -10.323 -7.479 5.355 1054 1HG2 VAL 35 3HG2 VAL 35 -9.064 -6.653 8.787 1055 2HG2 VAL 35 2HG2 VAL 35 -7.398 -7.106 8.426 1056 3HG2 VAL 35 1HG2 VAL 35 -8.113 -5.689 7.656 1057 H ALA 36 H ALA 36 -9.371 -9.916 5.037 1058 HA ALA 36 HA ALA 36 -12.254 -9.989 4.900 1059 1HB ALA 36 3HB ALA 36 -10.650 -9.881 2.979 1060 2HB ALA 36 2HB ALA 36 -10.143 -11.530 3.350 1061 3HB ALA 36 1HB ALA 36 -11.795 -11.212 2.823 1062 H LYS 37 H LYS 37 -9.752 -12.235 5.955 1063 HA LYS 37 HA LYS 37 -11.414 -14.605 6.050 1064 1HB LYS 37 2HB LYS 37 -8.723 -13.716 6.721 1065 2HB LYS 37 1HB LYS 37 -9.360 -14.785 7.970 1066 1HG LYS 37 2HG LYS 37 -9.309 -16.603 6.609 1067 2HG LYS 37 1HG LYS 37 -9.909 -15.694 5.221 1068 1HD LYS 37 2HD LYS 37 -7.815 -15.262 4.447 1069 2HD LYS 37 1HD LYS 37 -7.186 -14.944 6.063 1070 1HE LYS 37 2HE LYS 37 -6.123 -16.949 5.864 1071 2HE LYS 37 1HE LYS 37 -7.722 -17.681 6.106 1072 1HZ LYS 37 2HZ LYS 37 -7.912 -16.992 3.560 1073 2HZ LYS 37 1HZ LYS 37 -6.235 -17.260 3.634 1074 3HZ LYS 37 3HZ LYS 37 -7.312 -18.503 4.052 1075 H ARG 38 H ARG 38 -10.765 -11.932 8.246 1076 HA ARG 38 HA ARG 38 -11.995 -13.127 10.584 1077 1HB ARG 38 2HB ARG 38 -11.502 -10.234 9.809 1078 2HB ARG 38 1HB ARG 38 -11.751 -10.841 11.445 1079 1HG ARG 38 2HG ARG 38 -9.538 -11.923 9.711 1080 2HG ARG 38 1HG ARG 38 -9.311 -10.458 10.666 1081 1HD ARG 38 2HD ARG 38 -8.625 -12.035 12.224 1082 2HD ARG 38 1HD ARG 38 -10.363 -12.031 12.582 1083 HE ARG 38 HE ARG 38 -9.912 -13.831 10.424 1084 1HH1 ARG 38 1HH2 ARG 38 -8.785 -13.451 13.645 1085 2HH1 ARG 38 2HH2 ARG 38 -8.916 -15.132 14.039 1086 1HH2 ARG 38 2HH1 ARG 38 -10.275 -16.016 10.971 1087 2HH2 ARG 38 1HH1 ARG 38 -9.767 -16.585 12.526 1088 H ILE 39 H ILE 39 -13.044 -10.754 8.133 1089 HA ILE 39 HA ILE 39 -15.672 -10.305 9.114 1090 HB ILE 39 HB ILE 39 -14.452 -10.336 6.341 1091 1HG1 ILE 39 2HG1 ILE 39 -14.984 -8.291 8.489 1092 2HG1 ILE 39 1HG1 ILE 39 -13.504 -8.576 7.578 1093 1HG2 ILE 39 1HG2 ILE 39 -16.935 -10.729 6.284 1094 2HG2 ILE 39 3HG2 ILE 39 -17.151 -9.221 7.171 1095 3HG2 ILE 39 2HG2 ILE 39 -16.457 -9.200 5.551 1096 1HD1 ILE 39 1HD1 ILE 39 -15.044 -7.886 5.527 1097 2HD1 ILE 39 3HD1 ILE 39 -15.956 -7.058 6.789 1098 3HD1 ILE 39 2HD1 ILE 39 -14.257 -6.663 6.522 1099 H GLU 40 H GLU 40 -14.338 -12.863 7.055 1100 HA GLU 40 HA GLU 40 -16.818 -14.166 6.426 1101 1HB GLU 40 2HB GLU 40 -14.001 -15.256 6.796 1102 2HB GLU 40 1HB GLU 40 -15.303 -16.065 5.922 1103 1HG GLU 40 2HG GLU 40 -14.908 -13.320 5.008 1104 2HG GLU 40 1HG GLU 40 -13.454 -14.301 4.820 1105 H ALA 41 H ALA 41 -14.586 -14.284 9.162 1106 HA ALA 41 HA ALA 41 -15.617 -16.542 10.545 1107 1HB ALA 41 3HB ALA 41 -13.651 -14.752 10.950 1108 2HB ALA 41 2HB ALA 41 -14.856 -14.065 12.039 1109 3HB ALA 41 1HB ALA 41 -14.301 -15.723 12.271 1110 H LEU 42 H LEU 42 -16.698 -13.175 10.391 1111 HA LEU 42 HA LEU 42 -18.879 -13.532 12.305 1112 1HB LEU 42 2HB LEU 42 -18.111 -11.445 10.244 1113 2HB LEU 42 1HB LEU 42 -19.532 -11.277 11.264 1114 HG LEU 42 HG LEU 42 -18.158 -10.254 12.741 1115 1HD1 LEU 42 2HD1 LEU 42 -16.938 -13.017 13.025 1116 2HD1 LEU 42 1HD1 LEU 42 -16.779 -11.703 14.192 1117 3HD1 LEU 42 3HD1 LEU 42 -18.359 -12.421 13.884 1118 1HD2 LEU 42 1HD2 LEU 42 -16.141 -11.248 10.821 1119 2HD2 LEU 42 3HD2 LEU 42 -16.357 -9.634 11.499 1120 3HD2 LEU 42 2HD2 LEU 42 -15.537 -10.882 12.438 1121 H GLU 43 H GLU 43 -18.423 -13.796 8.829 1122 HA GLU 43 HA GLU 43 -21.221 -13.876 8.101 1123 1HB GLU 43 2HB GLU 43 -18.718 -15.006 6.803 1124 2HB GLU 43 1HB GLU 43 -20.264 -14.761 5.989 1125 1HG GLU 43 2HG GLU 43 -19.788 -12.313 7.187 1126 2HG GLU 43 1HG GLU 43 -18.186 -12.814 6.647 1127 H ASN 44 H ASN 44 -19.080 -16.080 9.629 1128 HA ASN 44 HA ASN 44 -20.415 -18.546 8.805 1129 1HB ASN 44 2HB ASN 44 -18.478 -17.758 11.002 1130 2HB ASN 44 1HB ASN 44 -19.018 -19.418 10.757 1131 1HD2 ASN 44 2HD2 ASN 44 -16.078 -19.504 8.687 1132 2HD2 ASN 44 1HD2 ASN 44 -16.629 -19.818 10.262 1133 H LYS 45 H LYS 45 -21.035 -16.026 11.053 1134 HA LYS 45 HA LYS 45 -23.050 -17.731 12.477 1135 1HB LYS 45 2HB LYS 45 -21.369 -15.358 13.351 1136 2HB LYS 45 1HB LYS 45 -22.678 -16.026 14.327 1137 1HG LYS 45 2HG LYS 45 -20.639 -17.050 15.097 1138 2HG LYS 45 1HG LYS 45 -21.513 -18.273 14.174 1139 1HD LYS 45 2HD LYS 45 -19.924 -18.359 12.558 1140 2HD LYS 45 1HD LYS 45 -19.725 -16.607 12.534 1141 1HE LYS 45 2HE LYS 45 -18.033 -16.645 14.105 1142 2HE LYS 45 1HE LYS 45 -18.714 -18.050 14.950 1143 1HZ LYS 45 1HZ LYS 45 -18.227 -19.145 12.605 1144 2HZ LYS 45 3HZ LYS 45 -17.014 -17.960 12.574 1145 3HZ LYS 45 2HZ LYS 45 -17.054 -19.098 13.834 1146 H ILE 46 H ILE 46 -22.552 -15.085 10.367 1147 HA ILE 46 HA ILE 46 -25.206 -13.876 11.042 1148 HB ILE 46 HB ILE 46 -22.863 -12.954 9.342 1149 1HG1 ILE 46 2HG1 ILE 46 -22.120 -12.508 11.488 1150 2HG1 ILE 46 1HG1 ILE 46 -23.081 -11.061 11.215 1151 1HG2 ILE 46 2HG2 ILE 46 -25.548 -11.693 9.927 1152 2HG2 ILE 46 1HG2 ILE 46 -24.165 -10.763 9.353 1153 3HG2 ILE 46 3HG2 ILE 46 -24.839 -12.049 8.352 1154 1HD1 ILE 46 2HD1 ILE 46 -24.174 -13.555 12.551 1155 2HD1 ILE 46 1HD1 ILE 46 -23.509 -12.184 13.433 1156 3HD1 ILE 46 3HD1 ILE 46 -24.950 -11.976 12.441 1157 H ILE 47 HN ILE 47 -23.532 -15.841 8.727 1158 HA ILE 47 HA ILE 47 -25.119 -15.307 6.391 1159 HB ILE 47 HB ILE 47 -22.977 -16.515 6.390 1160 1HG1 ILE 47 2HG1 ILE 47 -25.211 -18.386 5.558 1161 2HG1 ILE 47 1HG1 ILE 47 -24.724 -16.968 4.627 1162 1HG2 ILE 47 1HG2 ILE 47 -23.710 -17.701 8.642 1163 2HG2 ILE 47 3HG2 ILE 47 -24.314 -18.940 7.542 1164 3HG2 ILE 47 2HG2 ILE 47 -22.604 -18.507 7.530 1165 1HD1 ILE 47 2HD1 ILE 47 -22.392 -17.892 4.554 1166 2HD1 ILE 47 1HD1 ILE 47 -22.997 -19.359 5.326 1167 3HD1 ILE 47 3HD1 ILE 47 -23.575 -18.904 3.724 No H/Q in entry = 1167 Start of MODEL 6 1 1H GLY 1 1H GLY 1 31.097 7.338 -26.745 2 2H GLY 1 3H GLY 1 30.487 5.759 -26.645 3 3H GLY 1 2H GLY 1 31.038 6.362 -28.134 4 1HA GLY 1 2HA GLY 1 29.009 7.061 -28.610 5 2HA GLY 1 1HA GLY 1 28.457 6.515 -27.025 6 H SER 2 H SER 2 27.885 8.066 -25.570 7 HA SER 2 HA SER 2 28.999 10.817 -25.884 8 1HB SER 2 2HB SER 2 26.409 9.909 -26.682 9 2HB SER 2 1HB SER 2 26.201 10.959 -25.283 10 HG SER 2 HG SER 2 26.613 11.694 -27.742 11 H HIS 3 H HIS 3 26.509 9.098 -23.947 12 HA HIS 3 HA HIS 3 28.079 9.404 -21.488 13 1HB HIS 3 2HB HIS 3 26.571 11.559 -22.379 14 2HB HIS 3 1HB HIS 3 25.509 10.783 -21.203 15 HD1 HIS 3 HD1 HIS 3 27.813 13.374 -21.212 16 HD2 HIS 3 HD2 HIS 3 27.470 9.977 -18.820 17 HE1 HIS 3 HE1 HIS 3 29.094 13.865 -19.083 18 H MET 4 H MET 4 24.629 9.158 -22.470 19 HA MET 4 HA MET 4 23.698 7.491 -20.429 20 1HB MET 4 2HB MET 4 22.265 8.487 -22.119 21 2HB MET 4 1HB MET 4 23.059 7.563 -23.396 22 1HG MET 4 2HG MET 4 22.141 5.767 -21.336 23 2HG MET 4 1HG MET 4 20.805 6.789 -21.867 24 1HE MET 4 3HE MET 4 19.416 6.280 -23.338 25 2HE MET 4 2HE MET 4 19.503 5.211 -24.736 26 3HE MET 4 1HE MET 4 19.474 4.527 -23.113 27 H GLU 5 H GLU 5 24.670 5.604 -19.740 28 HA GLU 5 HA GLU 5 25.882 3.796 -21.792 29 1HB GLU 5 2HB GLU 5 27.095 2.886 -19.845 30 2HB GLU 5 1HB GLU 5 27.286 4.637 -19.925 31 1HG GLU 5 2HG GLU 5 25.656 4.984 -18.203 32 2HG GLU 5 1HG GLU 5 25.143 3.297 -18.263 33 H GLU 6 H GLU 6 25.809 1.427 -20.295 34 HA GLU 6 HA GLU 6 23.138 0.464 -20.826 35 1HB GLU 6 2HB GLU 6 24.093 -1.605 -19.768 36 2HB GLU 6 1HB GLU 6 25.137 -0.921 -21.014 37 1HG GLU 6 2HG GLU 6 26.799 -0.658 -19.522 38 2HG GLU 6 1HG GLU 6 25.750 0.322 -18.497 39 H ASP 7 H ASP 7 21.839 1.939 -19.459 40 HA ASP 7 HA ASP 7 20.804 2.608 -17.427 41 1HB ASP 7 2HB ASP 7 20.040 0.263 -18.037 42 2HB ASP 7 1HB ASP 7 21.222 -0.341 -16.875 43 HA PRO 8 HA PRO 8 24.642 2.786 -14.953 44 1HB PRO 8 2HB PRO 8 24.357 5.422 -14.270 45 2HB PRO 8 1HB PRO 8 25.107 4.891 -15.788 46 1HG PRO 8 2HG PRO 8 22.377 5.950 -15.297 47 2HG PRO 8 1HG PRO 8 23.449 6.185 -16.684 48 1HD PRO 8 2HD PRO 8 21.316 4.450 -16.647 49 2HD PRO 8 1HD PRO 8 22.720 4.294 -17.724 50 H CYS 9 H CYS 9 21.826 4.792 -13.943 51 HA CYS 9 HA CYS 9 21.903 3.359 -11.308 52 1HB CYS 9 2HB CYS 9 21.501 6.213 -12.165 53 2HB CYS 9 1HB CYS 9 20.781 5.656 -10.653 54 H GLU 10 H GLU 10 20.368 2.185 -13.319 55 HA GLU 10 HA GLU 10 18.146 1.634 -13.942 56 1HB GLU 10 2HB GLU 10 18.141 2.214 -10.971 57 2HB GLU 10 1HB GLU 10 16.737 1.529 -11.792 58 1HG GLU 10 2HG GLU 10 17.730 -0.505 -12.078 59 2HG GLU 10 1HG GLU 10 19.311 0.207 -12.405 60 H CYS 11 H CYS 11 18.755 4.372 -14.542 61 HA CYS 11 HA CYS 11 17.157 6.403 -13.587 62 1HB CYS 11 2HB CYS 11 18.202 5.575 -16.253 63 2HB CYS 11 1HB CYS 11 17.008 6.878 -16.233 64 H LYS 12 H LYS 12 16.106 3.591 -15.408 65 HA LYS 12 HA LYS 12 13.295 4.626 -15.242 66 1HB LYS 12 2HB LYS 12 14.807 3.120 -17.382 67 2HB LYS 12 1HB LYS 12 13.042 3.128 -17.341 68 1HG LYS 12 2HG LYS 12 13.440 4.977 -18.691 69 2HG LYS 12 1HG LYS 12 13.380 5.744 -17.104 70 1HD LYS 12 2HD LYS 12 15.501 6.451 -17.340 71 2HD LYS 12 1HD LYS 12 16.049 4.788 -17.557 72 1HE LYS 12 2HE LYS 12 16.646 5.577 -19.641 73 2HE LYS 12 1HE LYS 12 14.939 5.256 -20.005 74 1HZ LYS 12 1HZ LYS 12 14.517 7.546 -19.035 75 2HZ LYS 12 3HZ LYS 12 16.185 7.814 -19.185 76 3HZ LYS 12 2HZ LYS 12 15.249 7.495 -20.567 77 H SER 13 H SER 13 15.490 2.239 -14.265 78 HA SER 13 HA SER 13 13.609 -0.004 -14.110 79 1HB SER 13 2HB SER 13 16.430 0.644 -13.409 80 2HB SER 13 1HB SER 13 15.687 -0.686 -12.530 81 HG SER 13 HG SER 13 16.469 -1.608 -14.342 82 H ILE 14 H ILE 14 14.695 2.595 -12.019 83 HA ILE 14 HA ILE 14 13.514 1.493 -9.570 84 HB ILE 14 HB ILE 14 14.716 4.143 -10.415 85 1HG1 ILE 14 2HG1 ILE 14 15.841 2.227 -8.400 86 2HG1 ILE 14 1HG1 ILE 14 16.038 1.889 -10.114 87 1HG2 ILE 14 2HG2 ILE 14 13.050 4.446 -8.577 88 2HG2 ILE 14 1HG2 ILE 14 13.934 3.259 -7.619 89 3HG2 ILE 14 3HG2 ILE 14 14.700 4.785 -8.056 90 1HD1 ILE 14 2HD1 ILE 14 17.041 4.134 -10.434 91 2HD1 ILE 14 1HD1 ILE 14 16.890 4.433 -8.703 92 3HD1 ILE 14 3HD1 ILE 14 17.965 3.163 -9.287 93 H VAL 15 H VAL 15 12.736 3.906 -12.024 94 HA VAL 15 HA VAL 15 10.261 4.752 -10.679 95 HB VAL 15 HB VAL 15 10.821 5.311 -13.568 96 1HG1 VAL 15 1HG1 VAL 15 9.849 6.820 -11.140 97 2HG1 VAL 15 3HG1 VAL 15 10.321 7.669 -12.611 98 3HG1 VAL 15 2HG1 VAL 15 8.997 6.505 -12.650 99 1HG2 VAL 15 2HG2 VAL 15 12.647 6.051 -11.291 100 2HG2 VAL 15 1HG2 VAL 15 13.064 5.572 -12.935 101 3HG2 VAL 15 3HG2 VAL 15 12.418 7.182 -12.624 102 H LYS 16 H LYS 16 11.338 2.309 -12.824 103 HA LYS 16 HA LYS 16 8.806 1.724 -14.138 104 1HB LYS 16 2HB LYS 16 10.724 0.943 -15.257 105 2HB LYS 16 1HB LYS 16 11.517 0.463 -13.757 106 1HG LYS 16 2HG LYS 16 8.985 -0.928 -14.506 107 2HG LYS 16 1HG LYS 16 10.452 -1.346 -15.391 108 1HD LYS 16 2HD LYS 16 11.407 -1.359 -12.849 109 2HD LYS 16 1HD LYS 16 9.741 -1.858 -12.558 110 1HE LYS 16 2HE LYS 16 10.049 -3.889 -13.561 111 2HE LYS 16 1HE LYS 16 11.059 -3.202 -14.849 112 1HZ LYS 16 2HZ LYS 16 12.777 -2.816 -13.077 113 2HZ LYS 16 1HZ LYS 16 11.846 -3.802 -12.053 114 3HZ LYS 16 3HZ LYS 16 12.508 -4.445 -13.476 115 H PHE 17 H PHE 17 10.655 0.499 -11.364 116 HA PHE 17 HA PHE 17 8.724 -1.489 -10.541 117 1HB PHE 17 2HB PHE 17 10.842 -1.804 -9.628 118 2HB PHE 17 1HB PHE 17 11.135 -0.074 -9.462 119 HD1 PHE 17 HD1 PHE 17 10.058 1.203 -7.608 120 HD2 PHE 17 HD2 PHE 17 9.858 -3.080 -7.849 121 HE1 PHE 17 HE1 PHE 17 9.384 1.102 -5.225 122 HE2 PHE 17 HE2 PHE 17 9.184 -3.182 -5.466 123 HZ PHE 17 HZ PHE 17 8.946 -1.090 -4.154 124 H GLN 18 H GLN 18 9.159 1.970 -9.989 125 HA GLN 18 HA GLN 18 7.405 2.358 -7.784 126 1HB GLN 18 2HB GLN 18 8.377 3.961 -10.122 127 2HB GLN 18 1HB GLN 18 7.106 4.638 -9.106 128 1HG GLN 18 2HG GLN 18 8.627 4.029 -7.114 129 2HG GLN 18 1HG GLN 18 9.906 3.845 -8.314 130 1HE2 GLN 18 2HE2 GLN 18 8.890 7.520 -9.148 131 2HE2 GLN 18 1HE2 GLN 18 8.334 6.100 -9.893 132 H THR 19 H THR 19 6.703 2.486 -11.281 133 HA THR 19 HA THR 19 3.910 2.987 -11.111 134 HB THR 19 HB THR 19 5.716 1.534 -13.055 135 HG1 THR 19 HG1 THR 19 5.701 3.879 -12.724 136 1HG2 THR 19 3HG2 THR 19 2.744 1.736 -13.014 137 2HG2 THR 19 2HG2 THR 19 3.551 1.987 -14.562 138 3HG2 THR 19 1HG2 THR 19 3.776 0.474 -13.686 139 H LYS 20 H LYS 20 5.766 -0.030 -10.905 140 HA LYS 20 HA LYS 20 3.553 -1.854 -10.920 141 1HB LYS 20 2HB LYS 20 5.498 -3.035 -11.131 142 2HB LYS 20 1HB LYS 20 6.438 -1.775 -10.341 143 1HG LYS 20 2HG LYS 20 6.497 -3.882 -9.050 144 2HG LYS 20 1HG LYS 20 5.705 -2.598 -8.136 145 1HD LYS 20 2HD LYS 20 4.022 -4.093 -7.857 146 2HD LYS 20 1HD LYS 20 3.597 -3.700 -9.524 147 1HE LYS 20 2HE LYS 20 5.237 -5.540 -10.236 148 2HE LYS 20 1HE LYS 20 5.242 -6.043 -8.533 149 1HZ LYS 20 3HZ LYS 20 2.676 -5.485 -9.850 150 2HZ LYS 20 2HZ LYS 20 3.443 -6.969 -10.162 151 3HZ LYS 20 1HZ LYS 20 3.019 -6.548 -8.572 152 H VAL 21 H VAL 21 5.095 0.099 -8.438 153 HA VAL 21 HA VAL 21 3.608 -1.066 -6.204 154 HB VAL 21 HB VAL 21 5.626 1.047 -6.765 155 1HG1 VAL 21 2HG1 VAL 21 3.621 1.247 -4.534 156 2HG1 VAL 21 1HG1 VAL 21 5.277 1.791 -4.276 157 3HG1 VAL 21 3HG1 VAL 21 4.294 2.528 -5.542 158 1HG2 VAL 21 2HG2 VAL 21 5.273 -1.378 -5.135 159 2HG2 VAL 21 1HG2 VAL 21 6.736 -0.708 -5.857 160 3HG2 VAL 21 3HG2 VAL 21 6.151 -0.085 -4.315 161 H GLU 22 H GLU 22 3.094 1.384 -8.598 162 HA GLU 22 HA GLU 22 1.158 2.991 -7.160 163 1HB GLU 22 2HB GLU 22 2.181 2.611 -9.944 164 2HB GLU 22 1HB GLU 22 0.647 3.456 -9.761 165 1HG GLU 22 2HG GLU 22 1.723 5.011 -8.145 166 2HG GLU 22 1HG GLU 22 3.260 4.190 -8.415 167 H GLU 23 H GLU 23 0.908 0.348 -9.554 168 HA GLU 23 HA GLU 23 -1.994 0.256 -9.518 169 1HB GLU 23 2HB GLU 23 -0.025 -1.920 -10.278 170 2HB GLU 23 1HB GLU 23 -1.649 -1.672 -10.919 171 1HG GLU 23 2HG GLU 23 -0.598 0.731 -11.517 172 2HG GLU 23 1HG GLU 23 0.879 -0.234 -11.557 173 H LEU 24 H LEU 24 0.595 -1.526 -7.848 174 HA LEU 24 HA LEU 24 -1.056 -3.490 -6.577 175 1HB LEU 24 2HB LEU 24 1.566 -3.101 -6.848 176 2HB LEU 24 1HB LEU 24 1.384 -2.342 -5.266 177 HG LEU 24 HG LEU 24 0.175 -4.439 -4.512 178 1HD1 LEU 24 3HD1 LEU 24 -0.389 -5.243 -6.793 179 2HD1 LEU 24 2HD1 LEU 24 1.325 -5.515 -7.105 180 3HD1 LEU 24 1HD1 LEU 24 0.494 -6.460 -5.870 181 1HD2 LEU 24 1HD2 LEU 24 3.064 -4.408 -5.370 182 2HD2 LEU 24 3HD2 LEU 24 2.394 -4.261 -3.746 183 3HD2 LEU 24 2HD2 LEU 24 2.385 -5.823 -4.565 184 H ILE 25 H ILE 25 0.058 -0.266 -5.500 185 HA ILE 25 HA ILE 25 -1.125 -0.329 -2.907 186 HB ILE 25 HB ILE 25 0.210 1.495 -4.697 187 1HG1 ILE 25 2HG1 ILE 25 0.997 2.446 -2.622 188 2HG1 ILE 25 1HG1 ILE 25 -0.364 1.756 -1.736 189 1HG2 ILE 25 1HG2 ILE 25 -2.089 2.556 -4.815 190 2HG2 ILE 25 3HG2 ILE 25 -1.984 2.814 -3.074 191 3HG2 ILE 25 2HG2 ILE 25 -0.831 3.599 -4.153 192 1HD1 ILE 25 2HD1 ILE 25 1.080 -0.283 -3.230 193 2HD1 ILE 25 1HD1 ILE 25 2.137 0.565 -2.102 194 3HD1 ILE 25 3HD1 ILE 25 0.677 -0.232 -1.513 195 H ASN 26 H ASN 26 -2.454 0.672 -6.070 196 HA ASN 26 HA ASN 26 -4.961 1.666 -5.139 197 1HB ASN 26 2HB ASN 26 -3.735 1.586 -7.487 198 2HB ASN 26 1HB ASN 26 -4.682 0.113 -7.693 199 1HD2 ASN 26 2HD2 ASN 26 -7.781 1.825 -8.007 200 2HD2 ASN 26 1HD2 ASN 26 -7.034 0.318 -7.786 201 H THR 27 H THR 27 -3.923 -1.601 -6.053 202 HA THR 27 HA THR 27 -6.432 -2.936 -5.767 203 HB THR 27 HB THR 27 -3.518 -3.700 -5.544 204 HG1 THR 27 HG1 THR 27 -4.527 -3.173 -7.577 205 1HG2 THR 27 1HG2 THR 27 -5.962 -5.365 -5.030 206 2HG2 THR 27 3HG2 THR 27 -4.557 -6.103 -5.801 207 3HG2 THR 27 2HG2 THR 27 -4.407 -5.383 -4.198 208 H LEU 28 H LEU 28 -3.926 -2.060 -3.409 209 HA LEU 28 HA LEU 28 -4.998 -3.603 -1.210 210 1HB LEU 28 2HB LEU 28 -3.110 -1.287 -1.595 211 2HB LEU 28 1HB LEU 28 -3.596 -1.747 0.037 212 HG LEU 28 HG LEU 28 -2.750 -3.967 -1.748 213 1HD1 LEU 28 1HD1 LEU 28 -1.061 -1.624 -1.181 214 2HD1 LEU 28 3HD1 LEU 28 -0.335 -3.155 -0.692 215 3HD1 LEU 28 2HD1 LEU 28 -0.836 -2.911 -2.365 216 1HD2 LEU 28 1HD2 LEU 28 -3.205 -3.510 0.998 217 2HD2 LEU 28 3HD2 LEU 28 -2.561 -4.978 0.263 218 3HD2 LEU 28 2HD2 LEU 28 -1.462 -3.726 0.840 219 H GLN 29 H GLN 29 -5.344 -0.210 -2.236 220 HA GLN 29 HA GLN 29 -7.144 0.559 -0.112 221 1HB GLN 29 2HB GLN 29 -5.618 1.858 -1.860 222 2HB GLN 29 1HB GLN 29 -7.084 1.821 -2.837 223 1HG GLN 29 2HG GLN 29 -8.186 2.637 -0.542 224 2HG GLN 29 1HG GLN 29 -6.554 3.246 -0.265 225 1HE2 GLN 29 2HE2 GLN 29 -8.515 4.717 -3.579 226 2HE2 GLN 29 1HE2 GLN 29 -8.732 3.088 -3.154 227 H GLN 30 H GLN 30 -7.476 -1.381 -2.884 228 HA GLN 30 HA GLN 30 -10.317 -0.825 -3.396 229 1HB GLN 30 2HB GLN 30 -8.204 -2.746 -4.382 230 2HB GLN 30 1HB GLN 30 -9.882 -2.895 -4.899 231 1HG GLN 30 2HG GLN 30 -8.969 -0.142 -5.061 232 2HG GLN 30 1HG GLN 30 -7.947 -1.215 -6.011 233 1HE2 GLN 30 2HE2 GLN 30 -11.781 -0.512 -7.196 234 2HE2 GLN 30 1HE2 GLN 30 -11.205 0.103 -5.722 235 H LYS 31 H LYS 31 -8.387 -3.583 -2.180 236 HA LYS 31 HA LYS 31 -10.650 -5.170 -1.351 237 1HB LYS 31 2HB LYS 31 -7.689 -5.061 -0.809 238 2HB LYS 31 1HB LYS 31 -8.700 -6.161 0.129 239 1HG LYS 31 2HG LYS 31 -9.313 -7.415 -1.754 240 2HG LYS 31 1HG LYS 31 -8.910 -6.111 -2.872 241 1HD LYS 31 2HD LYS 31 -6.476 -6.465 -1.842 242 2HD LYS 31 1HD LYS 31 -7.106 -8.082 -1.530 243 1HE LYS 31 2HE LYS 31 -7.868 -7.328 -4.195 244 2HE LYS 31 1HE LYS 31 -6.123 -7.062 -4.002 245 1HZ LYS 31 3HZ LYS 31 -6.078 -9.286 -2.860 246 2HZ LYS 31 2HZ LYS 31 -7.658 -9.535 -3.430 247 3HZ LYS 31 1HZ LYS 31 -6.378 -9.336 -4.529 248 H LEU 32 H LEU 32 -8.996 -2.440 -0.020 249 HA LEU 32 HA LEU 32 -9.800 -2.828 2.757 250 1HB LEU 32 2HB LEU 32 -7.851 -1.478 1.600 251 2HB LEU 32 1HB LEU 32 -9.067 -0.209 1.467 252 HG LEU 32 HG LEU 32 -9.396 -0.182 3.861 253 1HD1 LEU 32 2HD1 LEU 32 -7.738 -2.686 3.728 254 2HD1 LEU 32 1HD1 LEU 32 -7.736 -1.717 5.201 255 3HD1 LEU 32 3HD1 LEU 32 -9.245 -2.397 4.596 256 1HD2 LEU 32 3HD2 LEU 32 -6.540 -0.162 2.893 257 2HD2 LEU 32 2HD2 LEU 32 -7.576 1.208 3.292 258 3HD2 LEU 32 1HD2 LEU 32 -6.920 0.194 4.578 259 H GLU 33 H GLU 33 -10.874 -0.718 0.067 260 HA GLU 33 HA GLU 33 -13.063 0.481 1.515 261 1HB GLU 33 2HB GLU 33 -11.986 1.429 -0.502 262 2HB GLU 33 1HB GLU 33 -12.567 0.062 -1.455 263 1HG GLU 33 2HG GLU 33 -14.793 0.760 -1.347 264 2HG GLU 33 1HG GLU 33 -14.526 1.714 0.113 265 H ALA 34 H ALA 34 -12.611 -2.596 0.036 266 HA ALA 34 HA ALA 34 -15.511 -3.132 -0.263 267 1HB ALA 34 2HB ALA 34 -13.444 -3.901 -1.740 268 2HB ALA 34 1HB ALA 34 -13.298 -5.160 -0.513 269 3HB ALA 34 3HB ALA 34 -14.780 -5.017 -1.458 270 H VAL 35 H VAL 35 -12.757 -3.823 1.792 271 HA VAL 35 HA VAL 35 -13.942 -5.851 3.446 272 HB VAL 35 HB VAL 35 -11.643 -3.962 3.439 273 1HG1 VAL 35 3HG1 VAL 35 -12.639 -3.608 5.700 274 2HG1 VAL 35 2HG1 VAL 35 -12.496 -5.341 5.993 275 3HG1 VAL 35 1HG1 VAL 35 -11.047 -4.364 5.756 276 1HG2 VAL 35 2HG2 VAL 35 -12.020 -6.900 4.067 277 2HG2 VAL 35 1HG2 VAL 35 -11.373 -6.211 2.578 278 3HG2 VAL 35 3HG2 VAL 35 -10.458 -6.081 4.081 279 H ALA 36 H ALA 36 -13.874 -2.297 3.535 280 HA ALA 36 HA ALA 36 -15.213 -1.989 6.068 281 1HB ALA 36 2HB ALA 36 -14.968 -0.242 3.597 282 2HB ALA 36 1HB ALA 36 -15.581 0.327 5.148 283 3HB ALA 36 3HB ALA 36 -13.910 -0.217 5.007 284 H LYS 37 H LYS 37 -16.284 -2.577 2.774 285 HA LYS 37 HA LYS 37 -19.079 -1.881 3.228 286 1HB LYS 37 2HB LYS 37 -17.324 -2.918 1.127 287 2HB LYS 37 1HB LYS 37 -18.911 -3.685 1.105 288 1HG LYS 37 2HG LYS 37 -19.982 -1.758 0.510 289 2HG LYS 37 1HG LYS 37 -18.918 -0.747 1.487 290 1HD LYS 37 2HD LYS 37 -17.132 -0.982 -0.184 291 2HD LYS 37 1HD LYS 37 -18.173 -2.022 -1.159 292 1HE LYS 37 2HE LYS 37 -19.855 -0.040 -1.109 293 2HE LYS 37 1HE LYS 37 -18.456 0.933 -0.612 294 1HZ LYS 37 1HZ LYS 37 -17.354 -0.473 -2.550 295 2HZ LYS 37 3HZ LYS 37 -18.947 -0.455 -3.133 296 3HZ LYS 37 2HZ LYS 37 -18.134 1.009 -2.842 297 H ARG 38 H ARG 38 -17.106 -4.780 3.566 298 HA ARG 38 HA ARG 38 -19.365 -6.582 3.934 299 1HB ARG 38 2HB ARG 38 -16.429 -6.829 4.679 300 2HB ARG 38 1HB ARG 38 -17.569 -8.161 4.488 301 1HG ARG 38 2HG ARG 38 -17.104 -6.224 2.228 302 2HG ARG 38 1HG ARG 38 -15.994 -7.571 2.489 303 1HD ARG 38 2HD ARG 38 -18.248 -8.978 2.613 304 2HD ARG 38 1HD ARG 38 -18.868 -7.630 1.639 305 HE ARG 38 HE ARG 38 -16.269 -8.720 0.773 306 1HH1 ARG 38 1HH2 ARG 38 -17.106 -7.685 -1.498 307 2HH1 ARG 38 2HH2 ARG 38 -18.240 -8.760 -2.244 308 1HH2 ARG 38 2HH1 ARG 38 -18.858 -10.551 0.658 309 2HH2 ARG 38 1HH1 ARG 38 -19.234 -10.380 -1.025 310 H ILE 39 H ILE 39 -17.108 -4.811 6.017 311 HA ILE 39 HA ILE 39 -17.911 -5.826 8.548 312 HB ILE 39 HB ILE 39 -16.773 -3.237 7.496 313 1HG1 ILE 39 2HG1 ILE 39 -15.480 -5.467 7.748 314 2HG1 ILE 39 1HG1 ILE 39 -14.743 -4.020 8.428 315 1HG2 ILE 39 2HG2 ILE 39 -18.167 -2.638 9.446 316 2HG2 ILE 39 1HG2 ILE 39 -17.352 -3.871 10.407 317 3HG2 ILE 39 3HG2 ILE 39 -16.450 -2.475 9.819 318 1HD1 ILE 39 3HD1 ILE 39 -16.520 -5.276 10.349 319 2HD1 ILE 39 2HD1 ILE 39 -15.287 -6.408 9.789 320 3HD1 ILE 39 1HD1 ILE 39 -14.812 -4.872 10.510 321 H GLU 40 H GLU 40 -19.199 -3.179 6.549 322 HA GLU 40 HA GLU 40 -21.233 -2.335 8.422 323 1HB GLU 40 2HB GLU 40 -21.163 -2.161 5.388 324 2HB GLU 40 1HB GLU 40 -22.065 -1.109 6.479 325 1HG GLU 40 2HG GLU 40 -19.189 -1.282 7.087 326 2HG GLU 40 1HG GLU 40 -19.551 -0.562 5.519 327 H ALA 41 H ALA 41 -21.050 -4.742 5.837 328 HA ALA 41 HA ALA 41 -23.798 -5.450 5.639 329 1HB ALA 41 3HB ALA 41 -21.432 -6.245 4.533 330 2HB ALA 41 2HB ALA 41 -21.754 -7.610 5.602 331 3HB ALA 41 1HB ALA 41 -22.928 -7.163 4.364 332 H LEU 42 H LEU 42 -21.314 -6.208 8.011 333 HA LEU 42 HA LEU 42 -22.964 -8.152 9.469 334 1HB LEU 42 2HB LEU 42 -20.310 -6.751 9.887 335 2HB LEU 42 1HB LEU 42 -21.007 -7.766 11.140 336 HG LEU 42 HG LEU 42 -19.737 -9.358 10.090 337 1HD1 LEU 42 1HD1 LEU 42 -22.183 -9.949 9.736 338 2HD1 LEU 42 3HD1 LEU 42 -22.004 -9.358 8.085 339 3HD1 LEU 42 2HD1 LEU 42 -21.053 -10.737 8.635 340 1HD2 LEU 42 3HD2 LEU 42 -19.181 -7.398 8.339 341 2HD2 LEU 42 2HD2 LEU 42 -18.694 -9.071 8.073 342 3HD2 LEU 42 1HD2 LEU 42 -20.144 -8.440 7.291 343 H GLU 43 H GLU 43 -22.145 -4.731 9.624 344 HA GLU 43 HA GLU 43 -23.185 -4.190 12.251 345 1HB GLU 43 2HB GLU 43 -22.882 -2.492 9.754 346 2HB GLU 43 1HB GLU 43 -23.138 -1.854 11.377 347 1HG GLU 43 2HG GLU 43 -21.052 -3.631 11.722 348 2HG GLU 43 1HG GLU 43 -20.697 -2.896 10.161 349 H ASN 44 H ASN 44 -24.677 -4.790 9.199 350 HA ASN 44 HA ASN 44 -27.185 -3.410 9.700 351 1HB ASN 44 2HB ASN 44 -26.122 -5.494 7.802 352 2HB ASN 44 1HB ASN 44 -27.852 -5.146 7.833 353 1HD2 ASN 44 2HD2 ASN 44 -27.424 -1.781 6.592 354 2HD2 ASN 44 1HD2 ASN 44 -28.401 -2.705 7.626 355 H LYS 45 H LYS 45 -25.774 -6.409 10.701 356 HA LYS 45 HA LYS 45 -28.434 -7.379 11.687 357 1HB LYS 45 2HB LYS 45 -25.828 -8.736 10.955 358 2HB LYS 45 1HB LYS 45 -27.146 -9.581 11.767 359 1HG LYS 45 2HG LYS 45 -27.389 -9.968 9.397 360 2HG LYS 45 1HG LYS 45 -28.663 -8.851 9.886 361 1HD LYS 45 2HD LYS 45 -27.779 -7.115 8.698 362 2HD LYS 45 1HD LYS 45 -26.117 -7.582 9.062 363 1HE LYS 45 2HE LYS 45 -26.329 -8.004 6.728 364 2HE LYS 45 1HE LYS 45 -26.577 -9.600 7.462 365 1HZ LYS 45 2HZ LYS 45 -28.939 -7.931 7.331 366 2HZ LYS 45 1HZ LYS 45 -28.342 -8.422 5.818 367 3HZ LYS 45 3HZ LYS 45 -28.758 -9.583 6.982 368 H ILE 46 H ILE 46 -25.301 -6.219 12.672 369 HA ILE 46 HA ILE 46 -25.749 -7.251 15.446 370 HB ILE 46 HB ILE 46 -23.286 -5.976 14.210 371 1HG1 ILE 46 2HG1 ILE 46 -23.490 -7.949 12.938 372 2HG1 ILE 46 1HG1 ILE 46 -22.494 -8.467 14.289 373 1HG2 ILE 46 3HG2 ILE 46 -23.705 -7.658 16.698 374 2HG2 ILE 46 2HG2 ILE 46 -22.143 -7.090 16.108 375 3HG2 ILE 46 1HG2 ILE 46 -23.352 -5.931 16.659 376 1HD1 ILE 46 2HD1 ILE 46 -25.496 -8.749 14.410 377 2HD1 ILE 46 1HD1 ILE 46 -24.502 -9.957 13.617 378 3HD1 ILE 46 3HD1 ILE 46 -24.267 -9.614 15.326 379 H ILE 47 HN ILE 47 -26.104 -4.473 13.524 380 HA ILE 47 HA ILE 47 -25.361 -2.293 15.107 381 HB ILE 47 HB ILE 47 -26.346 -1.907 12.984 382 1HG1 ILE 47 2HG1 ILE 47 -28.318 -0.483 13.455 383 2HG1 ILE 47 1HG1 ILE 47 -28.433 -1.194 15.067 384 1HG2 ILE 47 3HG2 ILE 47 -28.421 -3.809 13.996 385 2HG2 ILE 47 2HG2 ILE 47 -28.906 -2.615 12.792 386 3HG2 ILE 47 1HG2 ILE 47 -27.615 -3.761 12.429 387 1HD1 ILE 47 1HD1 ILE 47 -25.757 -0.400 14.831 388 2HD1 ILE 47 3HD1 ILE 47 -26.681 0.922 14.117 389 3HD1 ILE 47 2HD1 ILE 47 -27.012 0.408 15.771 390 1H GLY 1 1H GLY 1 27.410 24.688 -19.176 391 2H GLY 1 3H GLY 1 25.822 25.251 -19.374 392 3H GLY 1 2H GLY 1 27.101 26.358 -19.214 393 1HA GLY 1 2HA GLY 1 26.630 26.446 -17.061 394 2HA GLY 1 1HA GLY 1 25.577 25.036 -17.188 395 H SER 2 H SER 2 26.296 23.206 -16.210 396 HA SER 2 HA SER 2 29.237 22.774 -15.932 397 1HB SER 2 2HB SER 2 27.353 23.596 -13.899 398 2HB SER 2 1HB SER 2 28.012 22.015 -13.496 399 HG SER 2 HG SER 2 29.180 24.185 -12.990 400 H HIS 3 H HIS 3 26.081 21.334 -14.988 401 HA HIS 3 HA HIS 3 26.542 18.941 -16.587 402 1HB HIS 3 2HB HIS 3 27.905 19.118 -14.180 403 2HB HIS 3 1HB HIS 3 26.467 18.195 -13.747 404 HD1 HIS 3 HD1 HIS 3 29.725 17.466 -14.615 405 HD2 HIS 3 HD2 HIS 3 26.097 16.218 -16.247 406 HE1 HIS 3 HE1 HIS 3 30.205 15.320 -15.871 407 H MET 4 H MET 4 24.972 19.842 -13.485 408 HA MET 4 HA MET 4 22.643 18.296 -13.707 409 1HB MET 4 2HB MET 4 23.285 19.562 -11.723 410 2HB MET 4 1HB MET 4 23.088 21.084 -12.593 411 1HG MET 4 2HG MET 4 20.684 19.490 -12.812 412 2HG MET 4 1HG MET 4 21.120 19.710 -11.117 413 1HE MET 4 3HE MET 4 20.278 21.212 -9.886 414 2HE MET 4 2HE MET 4 19.577 22.783 -10.267 415 3HE MET 4 1HE MET 4 18.754 21.311 -10.779 416 H GLU 5 H GLU 5 21.427 18.221 -15.584 417 HA GLU 5 HA GLU 5 20.864 20.753 -17.053 418 1HB GLU 5 2HB GLU 5 20.122 19.174 -18.813 419 2HB GLU 5 1HB GLU 5 21.747 18.777 -18.251 420 1HG GLU 5 2HG GLU 5 20.965 16.952 -16.944 421 2HG GLU 5 1HG GLU 5 19.288 17.490 -17.058 422 H GLU 6 H GLU 6 18.430 19.997 -18.224 423 HA GLU 6 HA GLU 6 16.533 20.712 -16.156 424 1HB GLU 6 2HB GLU 6 14.933 20.402 -18.065 425 2HB GLU 6 1HB GLU 6 16.321 21.405 -18.490 426 1HG GLU 6 2HG GLU 6 16.892 19.968 -20.122 427 2HG GLU 6 1HG GLU 6 16.994 18.653 -18.951 428 H ASP 7 H ASP 7 16.827 18.902 -14.621 429 HA ASP 7 HA ASP 7 16.392 16.721 -13.784 430 1HB ASP 7 2HB ASP 7 14.203 17.997 -14.038 431 2HB ASP 7 1HB ASP 7 13.956 17.111 -15.544 432 HA PRO 8 HA PRO 8 17.734 14.496 -17.548 433 1HB PRO 8 2HB PRO 8 19.684 13.049 -16.289 434 2HB PRO 8 1HB PRO 8 19.943 14.693 -16.904 435 1HG PRO 8 2HG PRO 8 19.474 13.766 -14.125 436 2HG PRO 8 1HG PRO 8 20.490 15.085 -14.722 437 1HD PRO 8 2HD PRO 8 18.006 15.416 -13.579 438 2HD PRO 8 1HD PRO 8 18.782 16.585 -14.669 439 H CYS 9 H CYS 9 17.881 12.832 -14.371 440 HA CYS 9 HA CYS 9 16.090 10.713 -15.512 441 1HB CYS 9 2HB CYS 9 18.586 10.709 -13.858 442 2HB CYS 9 1HB CYS 9 17.414 9.418 -13.591 443 H GLU 10 H GLU 10 14.879 12.918 -14.302 444 HA GLU 10 HA GLU 10 13.539 13.580 -12.461 445 1HB GLU 10 2HB GLU 10 13.289 10.578 -12.749 446 2HB GLU 10 1HB GLU 10 12.272 11.491 -11.632 447 1HG GLU 10 2HG GLU 10 11.024 12.378 -13.305 448 2HG GLU 10 1HG GLU 10 12.436 12.675 -14.320 449 H CYS 11 H CYS 11 16.300 13.367 -11.694 450 HA CYS 11 HA CYS 11 17.028 11.762 -9.568 451 1HB CYS 11 2HB CYS 11 17.495 14.591 -10.377 452 2HB CYS 11 1HB CYS 11 18.033 14.122 -8.759 453 H LYS 12 H LYS 12 14.634 14.339 -9.532 454 HA LYS 12 HA LYS 12 14.140 13.745 -6.631 455 1HB LYS 12 2HB LYS 12 14.031 16.288 -8.264 456 2HB LYS 12 1HB LYS 12 13.246 16.161 -6.689 457 1HG LYS 12 2HG LYS 12 15.343 16.972 -6.078 458 2HG LYS 12 1HG LYS 12 15.590 15.232 -5.924 459 1HD LYS 12 2HD LYS 12 17.214 15.309 -7.476 460 2HD LYS 12 1HD LYS 12 16.075 15.974 -8.647 461 1HE LYS 12 2HE LYS 12 17.531 17.764 -8.566 462 2HE LYS 12 1HE LYS 12 16.547 18.196 -7.152 463 1HZ LYS 12 1HZ LYS 12 18.130 16.531 -5.963 464 2HZ LYS 12 3HZ LYS 12 19.175 16.875 -7.253 465 3HZ LYS 12 2HZ LYS 12 18.642 18.129 -6.237 466 H SER 13 H SER 13 12.897 13.575 -9.780 467 HA SER 13 HA SER 13 10.067 13.993 -9.116 468 1HB SER 13 2HB SER 13 11.767 13.286 -11.456 469 2HB SER 13 1HB SER 13 10.080 12.793 -11.532 470 HG SER 13 HG SER 13 10.054 14.828 -12.282 471 H ILE 14 H ILE 14 12.301 11.303 -9.293 472 HA ILE 14 HA ILE 14 10.224 9.225 -9.199 473 HB ILE 14 HB ILE 14 13.244 9.324 -8.966 474 1HG1 ILE 14 2HG1 ILE 14 11.665 7.981 -11.133 475 2HG1 ILE 14 1HG1 ILE 14 11.843 9.733 -11.160 476 1HG2 ILE 14 1HG2 ILE 14 11.356 6.957 -8.874 477 2HG2 ILE 14 3HG2 ILE 14 13.062 6.801 -9.297 478 3HG2 ILE 14 2HG2 ILE 14 12.600 7.393 -7.702 479 1HD1 ILE 14 2HD1 ILE 14 14.296 9.497 -11.047 480 2HD1 ILE 14 1HD1 ILE 14 14.126 7.742 -11.026 481 3HD1 ILE 14 3HD1 ILE 14 13.646 8.657 -12.454 482 H VAL 15 H VAL 15 12.491 10.821 -7.027 483 HA VAL 15 HA VAL 15 11.732 9.169 -4.718 484 HB VAL 15 HB VAL 15 13.182 11.783 -4.468 485 1HG1 VAL 15 1HG1 VAL 15 13.363 8.991 -3.348 486 2HG1 VAL 15 3HG1 VAL 15 14.707 10.118 -3.166 487 3HG1 VAL 15 2HG1 VAL 15 13.128 10.511 -2.485 488 1HG2 VAL 15 3HG2 VAL 15 14.156 9.407 -6.064 489 2HG2 VAL 15 2HG2 VAL 15 14.239 11.116 -6.485 490 3HG2 VAL 15 1HG2 VAL 15 15.289 10.467 -5.229 491 H LYS 16 H LYS 16 10.688 12.006 -6.347 492 HA LYS 16 HA LYS 16 9.317 13.304 -4.133 493 1HB LYS 16 2HB LYS 16 9.816 14.696 -5.971 494 2HB LYS 16 1HB LYS 16 9.393 13.450 -7.145 495 1HG LYS 16 2HG LYS 16 7.227 14.441 -5.352 496 2HG LYS 16 1HG LYS 16 7.771 15.513 -6.643 497 1HD LYS 16 2HD LYS 16 7.577 13.121 -7.966 498 2HD LYS 16 1HD LYS 16 6.252 12.991 -6.807 499 1HE LYS 16 2HE LYS 16 5.039 14.647 -7.825 500 2HE LYS 16 1HE LYS 16 6.482 15.613 -8.186 501 1HZ LYS 16 2HZ LYS 16 7.057 13.656 -9.737 502 2HZ LYS 16 1HZ LYS 16 5.402 13.288 -9.645 503 3HZ LYS 16 3HZ LYS 16 5.903 14.790 -10.257 504 H PHE 17 H PHE 17 8.448 11.122 -6.802 505 HA PHE 17 HA PHE 17 5.667 10.834 -6.088 506 1HB PHE 17 2HB PHE 17 6.142 10.152 -8.257 507 2HB PHE 17 1HB PHE 17 7.721 9.508 -7.815 508 HD1 PHE 17 HD1 PHE 17 7.901 7.309 -6.674 509 HD2 PHE 17 HD2 PHE 17 4.165 8.772 -8.200 510 HE1 PHE 17 HE1 PHE 17 6.957 5.023 -6.540 511 HE2 PHE 17 HE2 PHE 17 3.217 6.485 -8.065 512 HZ PHE 17 HZ PHE 17 4.614 4.609 -7.235 513 H GLN 18 H GLN 18 8.682 9.317 -5.067 514 HA GLN 18 HA GLN 18 7.656 7.008 -3.757 515 1HB GLN 18 2HB GLN 18 10.041 8.807 -3.502 516 2HB GLN 18 1HB GLN 18 9.784 7.566 -2.274 517 1HG GLN 18 2HG GLN 18 9.461 5.951 -4.279 518 2HG GLN 18 1HG GLN 18 10.241 7.213 -5.231 519 1HE2 GLN 18 2HE2 GLN 18 13.042 6.748 -2.559 520 2HE2 GLN 18 1HE2 GLN 18 11.779 7.880 -2.543 521 H THR 19 H THR 19 8.270 10.274 -2.440 522 HA THR 19 HA THR 19 7.332 9.813 0.207 523 HB THR 19 HB THR 19 7.429 12.205 -1.645 524 HG1 THR 19 HG1 THR 19 9.330 11.192 -0.668 525 1HG2 THR 19 3HG2 THR 19 6.188 11.938 1.056 526 2HG2 THR 19 2HG2 THR 19 7.134 13.391 0.732 527 3HG2 THR 19 1HG2 THR 19 5.747 12.997 -0.283 528 H LYS 20 H LYS 20 5.599 10.605 -2.787 529 HA LYS 20 HA LYS 20 3.013 11.071 -1.630 530 1HB LYS 20 2HB LYS 20 2.985 11.708 -3.827 531 2HB LYS 20 1HB LYS 20 4.286 10.601 -4.247 532 1HG LYS 20 2HG LYS 20 2.200 10.020 -5.432 533 2HG LYS 20 1HG LYS 20 2.685 8.731 -4.328 534 1HD LYS 20 2HD LYS 20 0.546 8.871 -3.570 535 2HD LYS 20 1HD LYS 20 1.127 10.285 -2.692 536 1HE LYS 20 2HE LYS 20 0.518 11.684 -4.722 537 2HE LYS 20 1HE LYS 20 -0.284 10.241 -5.377 538 1HZ LYS 20 3HZ LYS 20 -0.818 10.987 -2.594 539 2HZ LYS 20 2HZ LYS 20 -1.570 11.899 -3.815 540 3HZ LYS 20 1HZ LYS 20 -1.833 10.223 -3.718 541 H VAL 21 H VAL 21 4.798 8.193 -2.554 542 HA VAL 21 HA VAL 21 2.562 6.346 -2.142 543 HB VAL 21 HB VAL 21 5.435 6.332 -2.922 544 1HG1 VAL 21 2HG1 VAL 21 4.103 4.053 -1.476 545 2HG1 VAL 21 1HG1 VAL 21 5.313 3.733 -2.718 546 3HG1 VAL 21 3HG1 VAL 21 5.742 4.674 -1.289 547 1HG2 VAL 21 2HG2 VAL 21 2.804 5.492 -3.940 548 2HG2 VAL 21 1HG2 VAL 21 4.229 6.039 -4.823 549 3HG2 VAL 21 3HG2 VAL 21 4.106 4.359 -4.301 550 H GLU 22 H GLU 22 4.994 7.887 -0.217 551 HA GLU 22 HA GLU 22 5.134 5.951 1.935 552 1HB GLU 22 2HB GLU 22 5.927 8.780 1.367 553 2HB GLU 22 1HB GLU 22 5.909 8.264 3.053 554 1HG GLU 22 2HG GLU 22 7.379 6.364 2.491 555 2HG GLU 22 1HG GLU 22 7.395 6.879 0.804 556 H GLU 23 H GLU 23 3.350 9.006 1.457 557 HA GLU 23 HA GLU 23 1.915 8.849 3.973 558 1HB GLU 23 2HB GLU 23 1.166 10.339 1.441 559 2HB GLU 23 1HB GLU 23 0.787 10.792 3.104 560 1HG GLU 23 2HG GLU 23 3.467 10.667 3.305 561 2HG GLU 23 1HG GLU 23 3.338 11.081 1.595 562 H LEU 24 H LEU 24 1.204 7.910 0.618 563 HA LEU 24 HA LEU 24 -1.550 7.213 0.994 564 1HB LEU 24 2HB LEU 24 0.085 7.484 -1.091 565 2HB LEU 24 1HB LEU 24 0.247 5.739 -0.895 566 HG LEU 24 HG LEU 24 -2.298 5.628 -0.872 567 1HD1 LEU 24 3HD1 LEU 24 -2.149 8.339 -0.605 568 2HD1 LEU 24 2HD1 LEU 24 -2.400 8.194 -2.344 569 3HD1 LEU 24 1HD1 LEU 24 -3.567 7.493 -1.224 570 1HD2 LEU 24 1HD2 LEU 24 -0.648 6.470 -3.245 571 2HD2 LEU 24 3HD2 LEU 24 -1.310 4.881 -2.866 572 3HD2 LEU 24 2HD2 LEU 24 -2.375 6.168 -3.434 573 H ILE 25 H ILE 25 1.447 5.272 1.209 574 HA ILE 25 HA ILE 25 0.219 2.760 1.757 575 HB ILE 25 HB ILE 25 2.825 3.992 1.692 576 1HG1 ILE 25 2HG1 ILE 25 3.514 1.755 1.068 577 2HG1 ILE 25 1HG1 ILE 25 2.053 1.064 1.777 578 1HG2 ILE 25 1HG2 ILE 25 2.716 3.707 4.189 579 2HG2 ILE 25 3HG2 ILE 25 2.504 1.974 3.930 580 3HG2 ILE 25 2HG2 ILE 25 3.995 2.768 3.419 581 1HD1 ILE 25 2HD1 ILE 25 1.318 3.137 -0.079 582 2HD1 ILE 25 1HD1 ILE 25 2.405 1.999 -0.876 583 3HD1 ILE 25 3HD1 ILE 25 0.916 1.422 -0.129 584 H ASN 26 H ASN 26 1.200 5.421 3.926 585 HA ASN 26 HA ASN 26 0.660 4.122 6.412 586 1HB ASN 26 2HB ASN 26 1.717 6.451 5.696 587 2HB ASN 26 1HB ASN 26 0.069 7.029 5.943 588 1HD2 ASN 26 2HD2 ASN 26 0.151 6.555 9.486 589 2HD2 ASN 26 1HD2 ASN 26 -0.877 6.717 8.146 590 H THR 27 H THR 27 -1.413 6.036 4.259 591 HA THR 27 HA THR 27 -3.790 6.025 5.835 592 HB THR 27 HB THR 27 -3.145 6.172 2.885 593 HG1 THR 27 HG1 THR 27 -2.642 7.885 4.421 594 1HG2 THR 27 1HG2 THR 27 -5.813 6.128 4.261 595 2HG2 THR 27 3HG2 THR 27 -5.589 7.135 2.831 596 3HG2 THR 27 2HG2 THR 27 -5.338 5.392 2.731 597 H LEU 28 H LEU 28 -2.435 3.634 3.586 598 HA LEU 28 HA LEU 28 -4.785 1.949 3.465 599 1HB LEU 28 2HB LEU 28 -1.840 1.706 2.872 600 2HB LEU 28 1HB LEU 28 -2.864 0.271 2.806 601 HG LEU 28 HG LEU 28 -3.892 2.693 1.423 602 1HD1 LEU 28 1HD1 LEU 28 -1.292 1.452 0.814 603 2HD1 LEU 28 3HD1 LEU 28 -2.393 1.519 -0.562 604 3HD1 LEU 28 2HD1 LEU 28 -1.950 3.000 0.285 605 1HD2 LEU 28 1HD2 LEU 28 -4.320 -0.148 1.484 606 2HD2 LEU 28 3HD2 LEU 28 -5.262 1.084 0.645 607 3HD2 LEU 28 2HD2 LEU 28 -3.886 0.327 -0.158 608 H GLN 29 H GLN 29 -1.822 1.914 5.445 609 HA GLN 29 HA GLN 29 -2.536 -0.426 6.986 610 1HB GLN 29 2HB GLN 29 -0.285 0.920 6.536 611 2HB GLN 29 1HB GLN 29 -0.778 1.794 7.984 612 1HG GLN 29 2HG GLN 29 -1.170 -0.658 8.927 613 2HG GLN 29 1HG GLN 29 0.004 -1.082 7.681 614 1HE2 GLN 29 2HE2 GLN 29 1.286 1.527 10.605 615 2HE2 GLN 29 1HE2 GLN 29 -0.314 1.642 10.050 616 H GLN 30 H GLN 30 -3.659 2.782 6.923 617 HA GLN 30 HA GLN 30 -4.399 2.979 9.759 618 1HB GLN 30 2HB GLN 30 -4.813 4.582 7.231 619 2HB GLN 30 1HB GLN 30 -5.587 5.046 8.744 620 1HG GLN 30 2HG GLN 30 -2.771 4.422 9.129 621 2HG GLN 30 1HG GLN 30 -3.002 5.712 7.952 622 1HE2 GLN 30 2HE2 GLN 30 -3.975 6.359 11.871 623 2HE2 GLN 30 1HE2 GLN 30 -3.616 4.790 11.333 624 H LYS 31 H LYS 31 -6.135 2.740 6.640 625 HA LYS 31 HA LYS 31 -8.736 2.307 7.802 626 1HB LYS 31 2HB LYS 31 -7.392 1.920 5.137 627 2HB LYS 31 1HB LYS 31 -9.029 1.306 5.377 628 1HG LYS 31 2HG LYS 31 -9.920 3.441 5.716 629 2HG LYS 31 1HG LYS 31 -8.359 4.124 6.172 630 1HD LYS 31 2HD LYS 31 -7.691 3.462 3.707 631 2HD LYS 31 1HD LYS 31 -9.433 3.519 3.439 632 1HE LYS 31 2HE LYS 31 -8.712 5.832 4.968 633 2HE LYS 31 1HE LYS 31 -7.621 5.723 3.571 634 1HZ LYS 31 3HZ LYS 31 -9.716 5.123 2.275 635 2HZ LYS 31 2HZ LYS 31 -10.579 5.755 3.595 636 3HZ LYS 31 1HZ LYS 31 -9.518 6.749 2.715 637 H LEU 32 H LEU 32 -5.961 0.315 7.323 638 HA LEU 32 HA LEU 32 -7.359 -2.252 7.358 639 1HB LEU 32 2HB LEU 32 -5.042 -1.490 6.383 640 2HB LEU 32 1HB LEU 32 -4.462 -1.755 8.025 641 HG LEU 32 HG LEU 32 -5.124 -4.068 7.969 642 1HD1 LEU 32 2HD1 LEU 32 -6.598 -3.195 5.497 643 2HD1 LEU 32 1HD1 LEU 32 -6.091 -4.877 5.659 644 3HD1 LEU 32 3HD1 LEU 32 -7.177 -4.165 6.853 645 1HD2 LEU 32 3HD2 LEU 32 -3.662 -3.033 5.548 646 2HD2 LEU 32 2HD2 LEU 32 -3.017 -3.886 6.950 647 3HD2 LEU 32 1HD2 LEU 32 -3.946 -4.764 5.735 648 H GLU 33 H GLU 33 -5.343 -0.404 9.681 649 HA GLU 33 HA GLU 33 -5.707 -2.226 11.882 650 1HB GLU 33 2HB GLU 33 -3.901 -0.547 11.711 651 2HB GLU 33 1HB GLU 33 -5.094 0.751 11.775 652 1HG GLU 33 2HG GLU 33 -5.610 0.337 14.028 653 2HG GLU 33 1HG GLU 33 -4.976 -1.308 13.968 654 H ALA 34 H ALA 34 -7.769 0.102 10.410 655 HA ALA 34 HA ALA 34 -9.485 0.442 12.801 656 1HB ALA 34 2HB ALA 34 -8.855 2.170 10.922 657 2HB ALA 34 1HB ALA 34 -10.093 1.335 9.983 658 3HB ALA 34 3HB ALA 34 -10.519 2.123 11.501 659 H VAL 35 H VAL 35 -9.368 -1.161 9.680 660 HA VAL 35 HA VAL 35 -12.031 -2.212 9.613 661 HB VAL 35 HB VAL 35 -9.373 -2.639 8.354 662 1HG1 VAL 35 3HG1 VAL 35 -10.062 -4.956 8.988 663 2HG1 VAL 35 2HG1 VAL 35 -11.548 -4.721 8.068 664 3HG1 VAL 35 1HG1 VAL 35 -9.988 -4.702 7.247 665 1HG2 VAL 35 1HG2 VAL 35 -11.086 -1.137 7.404 666 2HG2 VAL 35 3HG2 VAL 35 -10.724 -2.466 6.302 667 3HG2 VAL 35 2HG2 VAL 35 -12.199 -2.500 7.267 668 H ALA 36 H ALA 36 -8.980 -3.340 11.061 669 HA ALA 36 HA ALA 36 -9.943 -5.929 11.893 670 1HB ALA 36 2HB ALA 36 -7.764 -4.089 12.946 671 2HB ALA 36 1HB ALA 36 -7.927 -5.792 13.372 672 3HB ALA 36 3HB ALA 36 -7.564 -5.330 11.709 673 H LYS 37 H LYS 37 -10.125 -2.677 13.204 674 HA LYS 37 HA LYS 37 -10.963 -3.441 15.886 675 1HB LYS 37 2HB LYS 37 -10.552 -1.047 14.237 676 2HB LYS 37 1HB LYS 37 -11.911 -0.882 15.351 677 1HG LYS 37 2HG LYS 37 -10.576 -0.975 17.212 678 2HG LYS 37 1HG LYS 37 -9.434 -2.093 16.465 679 1HD LYS 37 2HD LYS 37 -8.524 -0.258 15.091 680 2HD LYS 37 1HD LYS 37 -9.669 0.865 15.827 681 1HE LYS 37 2HE LYS 37 -8.646 0.128 18.095 682 2HE LYS 37 1HE LYS 37 -7.314 -0.523 17.117 683 1HZ LYS 37 1HZ LYS 37 -7.630 1.820 15.943 684 2HZ LYS 37 3HZ LYS 37 -8.153 2.248 17.498 685 3HZ LYS 37 2HZ LYS 37 -6.596 1.608 17.275 686 H ARG 38 H ARG 38 -12.599 -2.733 12.844 687 HA ARG 38 HA ARG 38 -15.281 -2.680 13.955 688 1HB ARG 38 2HB ARG 38 -14.275 -3.223 11.142 689 2HB ARG 38 1HB ARG 38 -15.890 -2.668 11.584 690 1HG ARG 38 2HG ARG 38 -13.437 -1.103 12.380 691 2HG ARG 38 1HG ARG 38 -14.175 -0.890 10.791 692 1HD ARG 38 2HD ARG 38 -16.408 -0.631 12.174 693 2HD ARG 38 1HD ARG 38 -15.298 -0.224 13.498 694 HE ARG 38 HE ARG 38 -14.639 1.144 11.005 695 1HH1 ARG 38 2HH1 ARG 38 -17.570 1.503 12.265 696 2HH1 ARG 38 1HH1 ARG 38 -17.344 3.062 12.985 697 1HH2 ARG 38 1HH2 ARG 38 -13.895 3.022 12.630 698 2HH2 ARG 38 2HH2 ARG 38 -15.265 3.921 13.191 699 H ILE 39 H ILE 39 -13.210 -5.105 12.422 700 HA ILE 39 HA ILE 39 -15.083 -7.246 12.232 701 HB ILE 39 HB ILE 39 -12.099 -6.922 12.483 702 1HG1 ILE 39 2HG1 ILE 39 -13.511 -6.507 10.357 703 2HG1 ILE 39 1HG1 ILE 39 -12.090 -7.536 10.195 704 1HG2 ILE 39 2HG2 ILE 39 -12.734 -9.018 13.690 705 2HG2 ILE 39 1HG2 ILE 39 -13.513 -9.590 12.215 706 3HG2 ILE 39 3HG2 ILE 39 -11.770 -9.317 12.243 707 1HD1 ILE 39 3HD1 ILE 39 -14.355 -9.143 10.966 708 2HD1 ILE 39 2HD1 ILE 39 -14.761 -8.185 9.543 709 3HD1 ILE 39 1HD1 ILE 39 -13.362 -9.255 9.513 710 H GLU 40 H GLU 40 -12.906 -6.215 14.851 711 HA GLU 40 HA GLU 40 -13.587 -8.338 16.684 712 1HB GLU 40 2HB GLU 40 -12.674 -5.492 17.242 713 2HB GLU 40 1HB GLU 40 -12.451 -6.893 18.291 714 1HG GLU 40 2HG GLU 40 -11.416 -7.266 15.559 715 2HG GLU 40 1HG GLU 40 -10.596 -5.999 16.471 716 H ALA 41 H ALA 41 -14.912 -5.138 15.954 717 HA ALA 41 HA ALA 41 -16.731 -4.847 18.115 718 1HB ALA 41 3HB ALA 41 -16.087 -3.573 15.718 719 2HB ALA 41 2HB ALA 41 -17.767 -4.055 15.489 720 3HB ALA 41 1HB ALA 41 -17.320 -3.039 16.860 721 H LEU 42 H LEU 42 -16.878 -6.757 15.154 722 HA LEU 42 HA LEU 42 -19.643 -7.635 15.589 723 1HB LEU 42 2HB LEU 42 -17.369 -8.361 13.726 724 2HB LEU 42 1HB LEU 42 -18.872 -9.268 13.726 725 HG LEU 42 HG LEU 42 -19.395 -7.737 12.096 726 1HD1 LEU 42 1HD1 LEU 42 -20.944 -7.337 14.047 727 2HD1 LEU 42 3HD1 LEU 42 -19.928 -5.968 14.494 728 3HD1 LEU 42 2HD1 LEU 42 -20.783 -5.963 12.952 729 1HD2 LEU 42 3HD2 LEU 42 -17.035 -6.635 12.712 730 2HD2 LEU 42 2HD2 LEU 42 -18.197 -5.834 11.655 731 3HD2 LEU 42 1HD2 LEU 42 -18.091 -5.377 13.355 732 H GLU 43 H GLU 43 -16.380 -8.801 16.259 733 HA GLU 43 HA GLU 43 -17.036 -11.507 16.955 734 1HB GLU 43 2HB GLU 43 -14.860 -9.603 17.874 735 2HB GLU 43 1HB GLU 43 -14.821 -11.351 18.103 736 1HG GLU 43 2HG GLU 43 -15.446 -11.061 15.420 737 2HG GLU 43 1HG GLU 43 -14.262 -9.788 15.708 738 H ASN 44 H ASN 44 -17.534 -8.504 18.578 739 HA ASN 44 HA ASN 44 -17.657 -9.530 21.296 740 1HB ASN 44 2HB ASN 44 -18.589 -7.054 19.830 741 2HB ASN 44 1HB ASN 44 -18.956 -7.292 21.539 742 1HD2 ASN 44 2HD2 ASN 44 -15.477 -7.056 22.530 743 2HD2 ASN 44 1HD2 ASN 44 -16.906 -7.885 22.919 744 H LYS 45 H LYS 45 -19.815 -9.416 18.573 745 HA LYS 45 HA LYS 45 -22.114 -10.285 20.284 746 1HB LYS 45 2HB LYS 45 -21.875 -9.039 17.531 747 2HB LYS 45 1HB LYS 45 -23.403 -9.603 18.206 748 1HG LYS 45 2HG LYS 45 -23.234 -7.239 18.667 749 2HG LYS 45 1HG LYS 45 -22.988 -8.097 20.189 750 1HD LYS 45 2HD LYS 45 -20.794 -7.478 20.337 751 2HD LYS 45 1HD LYS 45 -20.541 -7.589 18.595 752 1HE LYS 45 2HE LYS 45 -20.405 -5.264 18.987 753 2HE LYS 45 1HE LYS 45 -22.101 -5.465 18.508 754 1HZ LYS 45 2HZ LYS 45 -22.033 -6.074 21.186 755 2HZ LYS 45 1HZ LYS 45 -21.033 -4.708 21.043 756 3HZ LYS 45 3HZ LYS 45 -22.636 -4.645 20.494 757 H ILE 46 H ILE 46 -19.842 -11.394 17.909 758 HA ILE 46 HA ILE 46 -21.600 -13.736 17.284 759 HB ILE 46 HB ILE 46 -19.085 -12.771 15.882 760 1HG1 ILE 46 2HG1 ILE 46 -20.572 -10.979 15.516 761 2HG1 ILE 46 1HG1 ILE 46 -20.879 -12.025 14.136 762 1HG2 ILE 46 1HG2 ILE 46 -19.842 -15.161 15.563 763 2HG2 ILE 46 3HG2 ILE 46 -21.340 -14.526 14.880 764 3HG2 ILE 46 2HG2 ILE 46 -19.800 -14.203 14.083 765 1HD1 ILE 46 2HD1 ILE 46 -22.633 -13.091 15.889 766 2HD1 ILE 46 1HD1 ILE 46 -22.616 -11.425 16.471 767 3HD1 ILE 46 3HD1 ILE 46 -23.055 -11.771 14.800 768 H ILE 47 HN ILE 47 -18.960 -12.777 19.179 769 HA ILE 47 HA ILE 47 -17.095 -14.855 19.119 770 HB ILE 47 HB ILE 47 -16.758 -13.049 20.616 771 1HG1 ILE 47 2HG1 ILE 47 -16.613 -14.086 22.863 772 2HG1 ILE 47 1HG1 ILE 47 -17.644 -15.405 22.310 773 1HG2 ILE 47 3HG2 ILE 47 -19.601 -13.603 21.355 774 2HG2 ILE 47 2HG2 ILE 47 -18.560 -12.876 22.578 775 3HG2 ILE 47 1HG2 ILE 47 -18.808 -12.060 21.034 776 1HD1 ILE 47 1HD1 ILE 47 -15.739 -15.426 20.366 777 2HD1 ILE 47 3HD1 ILE 47 -14.784 -14.886 21.747 778 3HD1 ILE 47 2HD1 ILE 47 -15.659 -16.417 21.823 779 1H GLY 1 1H GLY 1 38.769 11.934 -9.823 780 2H GLY 1 3H GLY 1 38.456 11.960 -8.157 781 3H GLY 1 2H GLY 1 40.010 11.567 -8.720 782 1HA GLY 1 2HA GLY 1 39.451 9.439 -8.654 783 2HA GLY 1 1HA GLY 1 37.779 9.867 -8.294 784 H SER 2 H SER 2 36.276 9.594 -9.895 785 HA SER 2 HA SER 2 37.196 9.423 -12.724 786 1HB SER 2 2HB SER 2 36.711 7.217 -11.029 787 2HB SER 2 1HB SER 2 35.309 7.319 -12.092 788 HG SER 2 HG SER 2 37.852 6.561 -12.639 789 H HIS 3 H HIS 3 34.232 8.794 -10.788 790 HA HIS 3 HA HIS 3 32.848 11.089 -11.960 791 1HB HIS 3 2HB HIS 3 33.026 8.790 -13.489 792 2HB HIS 3 1HB HIS 3 31.461 8.605 -12.699 793 HD1 HIS 3 HD1 HIS 3 32.636 9.808 -15.732 794 HD2 HIS 3 HD2 HIS 3 30.193 11.528 -12.823 795 HE1 HIS 3 HE1 HIS 3 31.357 11.670 -16.878 796 H MET 4 H MET 4 32.102 7.823 -10.648 797 HA MET 4 HA MET 4 29.755 8.471 -9.241 798 1HB MET 4 2HB MET 4 30.556 6.202 -9.537 799 2HB MET 4 1HB MET 4 32.028 6.556 -8.631 800 1HG MET 4 2HG MET 4 29.708 7.252 -7.054 801 2HG MET 4 1HG MET 4 29.588 5.579 -7.599 802 1HE MET 4 3HE MET 4 30.300 3.875 -6.611 803 2HE MET 4 2HE MET 4 31.499 3.664 -5.338 804 3HE MET 4 1HE MET 4 29.982 4.484 -4.981 805 H GLU 5 H GLU 5 29.527 10.123 -7.774 806 HA GLU 5 HA GLU 5 31.841 10.792 -6.001 807 1HB GLU 5 2HB GLU 5 30.622 12.942 -5.754 808 2HB GLU 5 1HB GLU 5 30.917 12.560 -7.450 809 1HG GLU 5 2HG GLU 5 28.675 11.899 -7.813 810 2HG GLU 5 1HG GLU 5 28.351 11.751 -6.086 811 H GLU 6 H GLU 6 30.346 12.120 -4.002 812 HA GLU 6 HA GLU 6 29.546 9.895 -2.330 813 1HB GLU 6 2HB GLU 6 28.989 11.779 -0.761 814 2HB GLU 6 1HB GLU 6 30.608 11.901 -1.447 815 1HG GLU 6 2HG GLU 6 30.108 13.907 -2.331 816 2HG GLU 6 1HG GLU 6 28.759 13.198 -3.219 817 H ASP 7 H ASP 7 27.786 8.972 -3.669 818 HA ASP 7 HA ASP 7 25.531 8.795 -4.394 819 1HB ASP 7 2HB ASP 7 25.650 8.582 -1.854 820 2HB ASP 7 1HB ASP 7 25.119 10.260 -1.778 821 HA PRO 8 HA PRO 8 25.167 13.095 -5.896 822 1HB PRO 8 2HB PRO 8 24.546 12.397 -8.467 823 2HB PRO 8 1HB PRO 8 26.214 12.521 -7.874 824 1HG PRO 8 2HG PRO 8 24.548 10.111 -8.342 825 2HG PRO 8 1HG PRO 8 26.289 10.343 -8.563 826 1HD PRO 8 2HD PRO 8 25.143 9.045 -6.420 827 2HD PRO 8 1HD PRO 8 26.757 9.787 -6.406 828 H CYS 9 H CYS 9 23.045 10.558 -7.324 829 HA CYS 9 HA CYS 9 20.696 12.190 -6.415 830 1HB CYS 9 2HB CYS 9 21.406 10.731 -8.935 831 2HB CYS 9 1HB CYS 9 19.705 10.835 -8.481 832 H GLU 10 H GLU 10 21.646 10.372 -4.579 833 HA GLU 10 HA GLU 10 21.174 8.338 -3.446 834 1HB GLU 10 2HB GLU 10 18.577 9.503 -4.460 835 2HB GLU 10 1HB GLU 10 18.600 8.095 -3.397 836 1HG GLU 10 2HG GLU 10 19.206 9.316 -1.580 837 2HG GLU 10 1HG GLU 10 20.326 10.313 -2.508 838 H CYS 11 H CYS 11 22.088 7.794 -6.106 839 HA CYS 11 HA CYS 11 20.549 6.275 -7.815 840 1HB CYS 11 2HB CYS 11 23.371 6.165 -6.829 841 2HB CYS 11 1HB CYS 11 22.806 4.848 -7.861 842 H LYS 12 H LYS 12 21.617 5.390 -4.585 843 HA LYS 12 HA LYS 12 20.172 2.777 -4.894 844 1HB LYS 12 2HB LYS 12 22.684 3.597 -3.430 845 2HB LYS 12 1HB LYS 12 21.826 2.112 -3.021 846 1HG LYS 12 2HG LYS 12 23.281 1.291 -4.620 847 2HG LYS 12 1HG LYS 12 21.923 1.743 -5.652 848 1HD LYS 12 2HD LYS 12 23.218 3.218 -6.748 849 2HD LYS 12 1HD LYS 12 23.572 4.054 -5.235 850 1HE LYS 12 2HE LYS 12 25.723 3.376 -5.717 851 2HE LYS 12 1HE LYS 12 25.176 1.866 -4.962 852 1HZ LYS 12 1HZ LYS 12 24.280 1.286 -7.246 853 2HZ LYS 12 3HZ LYS 12 25.239 2.551 -7.843 854 3HZ LYS 12 2HZ LYS 12 25.968 1.230 -7.061 855 H SER 13 H SER 13 20.219 5.788 -3.309 856 HA SER 13 HA SER 13 19.090 4.893 -0.750 857 1HB SER 13 2HB SER 13 19.846 7.424 -2.129 858 2HB SER 13 1HB SER 13 18.660 7.555 -0.836 859 HG SER 13 HG SER 13 20.518 7.634 0.248 860 H ILE 14 H ILE 14 17.893 5.976 -3.855 861 HA ILE 14 HA ILE 14 15.133 6.408 -2.954 862 HB ILE 14 HB ILE 14 16.599 6.292 -5.602 863 1HG1 ILE 14 2HG1 ILE 14 15.203 8.673 -4.428 864 2HG1 ILE 14 1HG1 ILE 14 16.783 8.207 -3.806 865 1HG2 ILE 14 1HG2 ILE 14 13.689 6.995 -5.096 866 2HG2 ILE 14 3HG2 ILE 14 14.531 7.170 -6.635 867 3HG2 ILE 14 2HG2 ILE 14 14.267 5.566 -5.953 868 1HD1 ILE 14 1HD1 ILE 14 16.137 8.760 -6.715 869 2HD1 ILE 14 3HD1 ILE 14 17.011 9.845 -5.635 870 3HD1 ILE 14 2HD1 ILE 14 17.717 8.293 -6.084 871 H VAL 15 H VAL 15 17.032 3.949 -4.607 872 HA VAL 15 HA VAL 15 14.716 2.191 -5.055 873 HB VAL 15 HB VAL 15 17.558 1.257 -5.266 874 1HG1 VAL 15 1HG1 VAL 15 14.990 1.019 -6.830 875 2HG1 VAL 15 3HG1 VAL 15 16.532 0.556 -7.548 876 3HG1 VAL 15 2HG1 VAL 15 15.954 -0.263 -6.098 877 1HG2 VAL 15 3HG2 VAL 15 16.341 3.496 -6.904 878 2HG2 VAL 15 2HG2 VAL 15 17.926 3.452 -6.130 879 3HG2 VAL 15 1HG2 VAL 15 17.614 2.462 -7.552 880 H LYS 16 H LYS 16 17.035 2.886 -2.626 881 HA LYS 16 HA LYS 16 16.987 0.338 -1.212 882 1HB LYS 16 2HB LYS 16 18.836 1.715 -0.735 883 2HB LYS 16 1HB LYS 16 17.859 3.182 -0.736 884 1HG LYS 16 2HG LYS 16 17.302 1.113 1.351 885 2HG LYS 16 1HG LYS 16 18.729 2.132 1.540 886 1HD LYS 16 2HD LYS 16 16.876 4.006 0.865 887 2HD LYS 16 1HD LYS 16 15.861 2.849 1.725 888 1HE LYS 16 2HE LYS 16 16.794 3.368 3.740 889 2HE LYS 16 1HE LYS 16 18.435 3.408 3.064 890 1HZ LYS 16 2HZ LYS 16 17.631 5.496 1.863 891 2HZ LYS 16 1HZ LYS 16 16.366 5.518 2.997 892 3HZ LYS 16 3HZ LYS 16 17.974 5.633 3.521 893 H PHE 17 H PHE 17 15.344 3.476 -0.970 894 HA PHE 17 HA PHE 17 13.631 2.775 1.246 895 1HB PHE 17 2HB PHE 17 13.798 5.065 0.880 896 2HB PHE 17 1HB PHE 17 13.875 4.878 -0.870 897 HD1 PHE 17 HD1 PHE 17 11.806 4.433 -2.177 898 HD2 PHE 17 HD2 PHE 17 11.690 5.345 2.018 899 HE1 PHE 17 HE1 PHE 17 9.386 4.926 -2.355 900 HE2 PHE 17 HE2 PHE 17 9.266 5.841 1.840 901 HZ PHE 17 HZ PHE 17 8.115 5.630 -0.349 902 H GLN 18 H GLN 18 13.501 2.354 -2.259 903 HA GLN 18 HA GLN 18 10.748 1.721 -2.585 904 1HB GLN 18 2HB GLN 18 13.333 1.038 -3.935 905 2HB GLN 18 1HB GLN 18 11.864 0.211 -4.459 906 1HG GLN 18 2HG GLN 18 10.823 2.591 -4.547 907 2HG GLN 18 1HG GLN 18 12.493 3.155 -4.539 908 1HE2 GLN 18 2HE2 GLN 18 12.724 0.814 -7.649 909 2HE2 GLN 18 1HE2 GLN 18 13.093 0.424 -6.041 910 H THR 19 H THR 19 13.496 -0.459 -1.901 911 HA THR 19 HA THR 19 12.031 -2.893 -1.711 912 HB THR 19 HB THR 19 14.550 -1.804 -0.431 913 HG1 THR 19 HG1 THR 19 14.318 -2.393 -2.729 914 1HG2 THR 19 3HG2 THR 19 13.104 -4.361 0.093 915 2HG2 THR 19 2HG2 THR 19 14.861 -4.429 -0.048 916 3HG2 THR 19 1HG2 THR 19 14.112 -3.398 1.173 917 H LYS 20 H LYS 20 12.603 -0.317 0.663 918 HA LYS 20 HA LYS 20 11.496 -1.646 2.956 919 1HB LYS 20 2HB LYS 20 12.578 0.256 3.625 920 2HB LYS 20 1HB LYS 20 12.347 1.032 2.064 921 1HG LYS 20 2HG LYS 20 11.182 2.276 3.841 922 2HG LYS 20 1HG LYS 20 10.025 1.602 2.693 923 1HD LYS 20 2HD LYS 20 8.990 0.751 4.525 924 2HD LYS 20 1HD LYS 20 10.285 -0.446 4.515 925 1HE LYS 20 2HE LYS 20 11.642 1.136 5.960 926 2HE LYS 20 1HE LYS 20 10.177 2.125 6.121 927 1HZ LYS 20 3HZ LYS 20 9.933 -0.761 6.529 928 2HZ LYS 20 2HZ LYS 20 10.665 0.143 7.768 929 3HZ LYS 20 1HZ LYS 20 9.083 0.509 7.267 930 H VAL 21 H VAL 21 10.113 0.140 0.262 931 HA VAL 21 HA VAL 21 7.401 0.220 1.370 932 HB VAL 21 HB VAL 21 8.915 1.082 -1.036 933 1HG1 VAL 21 2HG1 VAL 21 5.981 0.367 -1.138 934 2HG1 VAL 21 1HG1 VAL 21 6.694 1.563 -2.221 935 3HG1 VAL 21 3HG1 VAL 21 7.256 -0.109 -2.262 936 1HG2 VAL 21 2HG2 VAL 21 7.215 2.185 1.079 937 2HG2 VAL 21 1HG2 VAL 21 8.488 2.968 0.141 938 3HG2 VAL 21 3HG2 VAL 21 6.852 2.860 -0.510 939 H GLU 22 H GLU 22 9.371 -1.980 -0.447 940 HA GLU 22 HA GLU 22 7.272 -3.483 -1.752 941 1HB GLU 22 2HB GLU 22 10.185 -3.758 -1.099 942 2HB GLU 22 1HB GLU 22 9.320 -5.196 -1.632 943 1HG GLU 22 2HG GLU 22 8.562 -3.995 -3.651 944 2HG GLU 22 1HG GLU 22 9.432 -2.557 -3.118 945 H GLU 23 H GLU 23 9.142 -3.964 1.255 946 HA GLU 23 HA GLU 23 7.723 -6.373 2.037 947 1HB GLU 23 2HB GLU 23 9.252 -4.409 3.768 948 2HB GLU 23 1HB GLU 23 9.049 -6.141 4.035 949 1HG GLU 23 2HG GLU 23 10.157 -6.219 1.582 950 2HG GLU 23 1HG GLU 23 10.871 -4.715 2.164 951 H LEU 24 H LEU 24 7.430 -2.920 2.848 952 HA LEU 24 HA LEU 24 5.447 -3.164 4.895 953 1HB LEU 24 2HB LEU 24 6.953 -1.194 3.915 954 2HB LEU 24 1HB LEU 24 5.498 -0.867 2.973 955 HG LEU 24 HG LEU 24 4.198 -0.921 5.145 956 1HD1 LEU 24 3HD1 LEU 24 6.406 -2.077 6.191 957 2HD1 LEU 24 2HD1 LEU 24 6.724 -0.397 6.621 958 3HD1 LEU 24 1HD1 LEU 24 5.243 -1.180 7.169 959 1HD2 LEU 24 1HD2 LEU 24 6.350 1.120 4.577 960 2HD2 LEU 24 3HD2 LEU 24 4.619 1.234 4.267 961 3HD2 LEU 24 2HD2 LEU 24 5.225 1.334 5.919 962 H ILE 25 H ILE 25 5.159 -2.735 1.361 963 HA ILE 25 HA ILE 25 2.314 -2.524 1.254 964 HB ILE 25 HB ILE 25 4.596 -2.773 -0.497 965 1HG1 ILE 25 2HG1 ILE 25 3.206 -1.469 -1.981 966 2HG1 ILE 25 1HG1 ILE 25 1.743 -1.983 -1.138 967 1HG2 ILE 25 1HG2 ILE 25 3.592 -5.073 -0.897 968 2HG2 ILE 25 3HG2 ILE 25 2.159 -4.252 -1.516 969 3HG2 ILE 25 2HG2 ILE 25 3.713 -4.048 -2.327 970 1HD1 ILE 25 2HD1 ILE 25 3.585 -0.861 0.767 971 2HD1 ILE 25 1HD1 ILE 25 3.361 0.275 -0.563 972 3HD1 ILE 25 3HD1 ILE 25 1.964 -0.306 0.344 973 H ASN 26 H ASN 26 4.480 -5.367 1.163 974 HA ASN 26 HA ASN 26 2.498 -7.356 0.679 975 1HB ASN 26 2HB ASN 26 5.135 -7.367 0.846 976 2HB ASN 26 1HB ASN 26 4.824 -7.781 2.533 977 1HD2 ASN 26 2HD2 ASN 26 3.666 -11.061 1.800 978 2HD2 ASN 26 1HD2 ASN 26 3.793 -9.854 2.988 979 H THR 27 H THR 27 3.696 -5.942 3.705 980 HA THR 27 HA THR 27 2.185 -7.520 5.538 981 HB THR 27 HB THR 27 3.327 -4.722 5.523 982 HG1 THR 27 HG1 THR 27 4.543 -6.828 5.625 983 1HG2 THR 27 1HG2 THR 27 1.760 -6.146 7.668 984 2HG2 THR 27 3HG2 THR 27 2.992 -4.956 8.090 985 3HG2 THR 27 2HG2 THR 27 1.605 -4.479 7.113 986 H LEU 28 H LEU 28 1.337 -4.631 3.650 987 HA LEU 28 HA LEU 28 -1.172 -4.101 5.004 988 1HB LEU 28 2HB LEU 28 0.115 -3.378 2.371 989 2HB LEU 28 1HB LEU 28 -1.548 -2.898 2.707 990 HG LEU 28 HG LEU 28 0.436 -2.358 4.854 991 1HD1 LEU 28 1HD1 LEU 28 0.709 -1.352 2.104 992 2HD1 LEU 28 3HD1 LEU 28 0.617 -0.074 3.317 993 3HD1 LEU 28 2HD1 LEU 28 1.867 -1.314 3.434 994 1HD2 LEU 28 1HD2 LEU 28 -2.205 -1.608 4.139 995 2HD2 LEU 28 3HD2 LEU 28 -1.268 -1.043 5.523 996 3HD2 LEU 28 2HD2 LEU 28 -1.216 -0.154 4.001 997 H GLN 29 H GLN 29 -0.283 -5.882 2.048 998 HA GLN 29 HA GLN 29 -2.979 -6.700 1.389 999 1HB GLN 29 2HB GLN 29 -0.685 -6.565 0.060 1000 2HB GLN 29 1HB GLN 29 -0.501 -8.219 0.639 1001 1HG GLN 29 2HG GLN 29 -2.993 -8.459 -0.241 1002 2HG GLN 29 1HG GLN 29 -2.526 -7.095 -1.256 1003 1HE2 GLN 29 2HE2 GLN 29 -0.348 -10.562 -1.730 1004 2HE2 GLN 29 1HE2 GLN 29 -0.866 -10.124 -0.174 1005 H GLN 30 H GLN 30 -0.770 -7.608 3.804 1006 HA GLN 30 HA GLN 30 -1.630 -10.408 4.063 1007 1HB GLN 30 2HB GLN 30 0.154 -8.475 5.553 1008 2HB GLN 30 1HB GLN 30 -0.180 -10.087 6.187 1009 1HG GLN 30 2HG GLN 30 0.494 -10.208 3.372 1010 2HG GLN 30 1HG GLN 30 1.767 -9.407 4.287 1011 1HE2 GLN 30 2HE2 GLN 30 1.055 -13.388 4.866 1012 2HE2 GLN 30 1HE2 GLN 30 -0.002 -12.457 3.917 1013 H LYS 31 H LYS 31 -1.897 -7.410 5.998 1014 HA LYS 31 HA LYS 31 -3.762 -8.482 7.920 1015 1HB LYS 31 2HB LYS 31 -2.801 -5.784 7.002 1016 2HB LYS 31 1HB LYS 31 -4.176 -5.872 8.103 1017 1HG LYS 31 2HG LYS 31 -2.911 -6.816 9.821 1018 2HG LYS 31 1HG LYS 31 -1.693 -7.447 8.712 1019 1HD LYS 31 2HD LYS 31 -1.321 -4.871 8.191 1020 2HD LYS 31 1HD LYS 31 -2.010 -4.676 9.803 1021 1HE LYS 31 2HE LYS 31 -0.107 -6.811 9.932 1022 2HE LYS 31 1HE LYS 31 0.666 -5.429 9.129 1023 1HZ LYS 31 3HZ LYS 31 -0.458 -4.046 10.930 1024 2HZ LYS 31 2HZ LYS 31 -0.677 -5.509 11.766 1025 3HZ LYS 31 1HZ LYS 31 0.889 -4.966 11.394 1026 H LEU 32 H LEU 32 -4.027 -7.380 4.666 1027 HA LEU 32 HA LEU 32 -6.871 -6.706 4.744 1028 1HB LEU 32 2HB LEU 32 -4.900 -5.928 3.191 1029 2HB LEU 32 1HB LEU 32 -5.248 -7.412 2.303 1030 HG LEU 32 HG LEU 32 -7.526 -6.719 1.903 1031 1HD1 LEU 32 2HD1 LEU 32 -6.830 -4.601 3.922 1032 2HD1 LEU 32 1HD1 LEU 32 -8.088 -4.289 2.726 1033 3HD1 LEU 32 3HD1 LEU 32 -8.253 -5.640 3.847 1034 1HD2 LEU 32 3HD2 LEU 32 -5.379 -4.672 1.375 1035 2HD2 LEU 32 2HD2 LEU 32 -6.151 -5.781 0.243 1036 3HD2 LEU 32 1HD2 LEU 32 -7.035 -4.378 0.843 1037 H GLU 33 H GLU 33 -4.905 -9.419 3.481 1038 HA GLU 33 HA GLU 33 -7.157 -11.000 2.610 1039 1HB GLU 33 2HB GLU 33 -4.856 -11.259 1.774 1040 2HB GLU 33 1HB GLU 33 -4.304 -11.705 3.387 1041 1HG GLU 33 2HG GLU 33 -5.375 -13.783 3.325 1042 2HG GLU 33 1HG GLU 33 -6.519 -13.265 2.086 1043 H ALA 34 H ALA 34 -5.790 -10.325 5.690 1044 HA ALA 34 HA ALA 34 -6.893 -12.755 6.980 1045 1HB ALA 34 2HB ALA 34 -4.686 -11.311 7.457 1046 2HB ALA 34 1HB ALA 34 -5.805 -10.377 8.451 1047 3HB ALA 34 3HB ALA 34 -5.559 -12.093 8.775 1048 H VAL 35 H VAL 35 -7.426 -9.299 6.660 1049 HA VAL 35 HA VAL 35 -9.559 -8.980 8.537 1050 HB VAL 35 HB VAL 35 -8.336 -7.605 6.212 1051 1HG1 VAL 35 3HG1 VAL 35 -10.778 -7.576 5.631 1052 2HG1 VAL 35 2HG1 VAL 35 -11.080 -6.755 7.162 1053 3HG1 VAL 35 1HG1 VAL 35 -10.098 -5.976 5.920 1054 1HG2 VAL 35 2HG2 VAL 35 -9.315 -6.737 8.941 1055 2HG2 VAL 35 1HG2 VAL 35 -7.647 -7.075 8.477 1056 3HG2 VAL 35 3HG2 VAL 35 -8.485 -5.678 7.801 1057 H ALA 36 H ALA 36 -9.448 -9.943 5.110 1058 HA ALA 36 HA ALA 36 -12.304 -10.034 4.707 1059 1HB ALA 36 2HB ALA 36 -9.956 -11.440 3.389 1060 2HB ALA 36 1HB ALA 36 -11.594 -11.421 2.733 1061 3HB ALA 36 3HB ALA 36 -10.684 -9.917 2.877 1062 H LYS 37 H LYS 37 -9.930 -12.229 6.072 1063 HA LYS 37 HA LYS 37 -11.610 -14.606 6.008 1064 1HB LYS 37 2HB LYS 37 -8.982 -13.711 6.963 1065 2HB LYS 37 1HB LYS 37 -9.733 -14.889 8.040 1066 1HG LYS 37 2HG LYS 37 -9.685 -16.568 6.464 1067 2HG LYS 37 1HG LYS 37 -9.845 -15.446 5.113 1068 1HD LYS 37 2HD LYS 37 -7.524 -14.718 5.407 1069 2HD LYS 37 1HD LYS 37 -7.351 -15.781 6.804 1070 1HE LYS 37 2HE LYS 37 -7.961 -17.720 5.255 1071 2HE LYS 37 1HE LYS 37 -7.750 -16.584 3.908 1072 1HZ LYS 37 1HZ LYS 37 -5.589 -16.024 5.315 1073 2HZ LYS 37 3HZ LYS 37 -5.764 -17.651 5.758 1074 3HZ LYS 37 2HZ LYS 37 -5.603 -17.232 4.120 1075 H ARG 38 H ARG 38 -11.089 -11.942 8.250 1076 HA ARG 38 HA ARG 38 -12.542 -13.160 10.458 1077 1HB ARG 38 2HB ARG 38 -11.830 -10.276 9.829 1078 2HB ARG 38 1HB ARG 38 -12.266 -10.914 11.413 1079 1HG ARG 38 2HG ARG 38 -9.969 -12.118 9.890 1080 2HG ARG 38 1HG ARG 38 -9.731 -10.640 10.822 1081 1HD ARG 38 2HD ARG 38 -10.979 -12.031 12.720 1082 2HD ARG 38 1HD ARG 38 -10.350 -13.407 11.793 1083 HE ARG 38 HE ARG 38 -8.411 -11.250 12.325 1084 1HH1 ARG 38 1HH2 ARG 38 -6.762 -13.275 11.986 1085 2HH1 ARG 38 2HH2 ARG 38 -6.698 -14.225 13.433 1086 1HH2 ARG 38 2HH1 ARG 38 -9.627 -12.900 14.743 1087 2HH2 ARG 38 1HH1 ARG 38 -8.321 -14.011 14.998 1088 H ILE 39 H ILE 39 -13.265 -10.874 7.849 1089 HA ILE 39 HA ILE 39 -15.912 -10.144 8.585 1090 HB ILE 39 HB ILE 39 -14.341 -10.410 6.027 1091 1HG1 ILE 39 2HG1 ILE 39 -14.107 -8.539 7.814 1092 2HG1 ILE 39 1HG1 ILE 39 -14.244 -8.053 6.127 1093 1HG2 ILE 39 2HG2 ILE 39 -16.712 -10.951 5.487 1094 2HG2 ILE 39 1HG2 ILE 39 -17.206 -9.426 6.222 1095 3HG2 ILE 39 3HG2 ILE 39 -16.198 -9.421 4.774 1096 1HD1 ILE 39 3HD1 ILE 39 -16.864 -8.358 7.352 1097 2HD1 ILE 39 2HD1 ILE 39 -15.869 -7.205 8.239 1098 3HD1 ILE 39 1HD1 ILE 39 -16.176 -6.964 6.521 1099 H GLU 40 H GLU 40 -14.661 -12.886 6.695 1100 HA GLU 40 HA GLU 40 -17.221 -14.056 6.082 1101 1HB GLU 40 2HB GLU 40 -14.520 -15.399 6.461 1102 2HB GLU 40 1HB GLU 40 -15.855 -15.974 5.462 1103 1HG GLU 40 2HG GLU 40 -14.994 -13.227 4.844 1104 2HG GLU 40 1HG GLU 40 -13.766 -14.455 4.533 1105 H ALA 41 H ALA 41 -14.950 -14.334 8.785 1106 HA ALA 41 HA ALA 41 -16.103 -16.514 10.185 1107 1HB ALA 41 3HB ALA 41 -14.030 -14.860 10.565 1108 2HB ALA 41 2HB ALA 41 -15.180 -14.058 11.636 1109 3HB ALA 41 1HB ALA 41 -14.743 -15.745 11.914 1110 H LEU 42 H LEU 42 -17.036 -13.120 9.946 1111 HA LEU 42 HA LEU 42 -19.201 -13.329 11.902 1112 1HB LEU 42 2HB LEU 42 -18.296 -11.311 9.831 1113 2HB LEU 42 1HB LEU 42 -19.747 -11.060 10.791 1114 HG LEU 42 HG LEU 42 -18.259 -9.975 12.154 1115 1HD1 LEU 42 1HD1 LEU 42 -19.083 -12.040 13.382 1116 2HD1 LEU 42 3HD1 LEU 42 -17.523 -12.780 13.017 1117 3HD1 LEU 42 2HD1 LEU 42 -17.599 -11.330 14.017 1118 1HD2 LEU 42 3HD2 LEU 42 -16.407 -10.858 10.409 1119 2HD2 LEU 42 2HD2 LEU 42 -15.992 -10.040 11.916 1120 3HD2 LEU 42 1HD2 LEU 42 -15.946 -11.801 11.827 1121 H GLU 43 H GLU 43 -18.815 -13.571 8.406 1122 HA GLU 43 HA GLU 43 -21.594 -13.490 7.687 1123 1HB GLU 43 2HB GLU 43 -19.184 -14.850 6.442 1124 2HB GLU 43 1HB GLU 43 -20.702 -14.522 5.606 1125 1HG GLU 43 2HG GLU 43 -20.080 -12.087 6.745 1126 2HG GLU 43 1HG GLU 43 -18.507 -12.706 6.249 1127 H ASN 44 H ASN 44 -19.650 -15.920 9.192 1128 HA ASN 44 HA ASN 44 -21.228 -18.230 8.399 1129 1HB ASN 44 2HB ASN 44 -19.212 -17.594 10.567 1130 2HB ASN 44 1HB ASN 44 -19.968 -19.183 10.444 1131 1HD2 ASN 44 2HD2 ASN 44 -18.339 -19.949 7.300 1132 2HD2 ASN 44 1HD2 ASN 44 -19.805 -20.188 8.122 1133 H LYS 45 H LYS 45 -21.547 -15.705 10.750 1134 HA LYS 45 HA LYS 45 -23.737 -17.212 12.135 1135 1HB LYS 45 2HB LYS 45 -21.931 -14.915 12.939 1136 2HB LYS 45 1HB LYS 45 -23.286 -15.469 13.924 1137 1HG LYS 45 2HG LYS 45 -21.324 -16.590 14.749 1138 2HG LYS 45 1HG LYS 45 -22.258 -17.786 13.849 1139 1HD LYS 45 2HD LYS 45 -20.703 -17.943 12.177 1140 2HD LYS 45 1HD LYS 45 -20.282 -16.233 12.270 1141 1HE LYS 45 2HE LYS 45 -18.346 -17.319 13.100 1142 2HE LYS 45 1HE LYS 45 -19.217 -16.875 14.580 1143 1HZ LYS 45 2HZ LYS 45 -20.100 -19.352 13.395 1144 2HZ LYS 45 1HZ LYS 45 -18.487 -19.396 13.924 1145 3HZ LYS 45 3HZ LYS 45 -19.724 -19.000 15.014 1146 H ILE 46 H ILE 46 -23.049 -14.518 10.060 1147 HA ILE 46 HA ILE 46 -25.740 -13.336 10.640 1148 HB ILE 46 HB ILE 46 -23.410 -12.158 9.090 1149 1HG1 ILE 46 2HG1 ILE 46 -22.427 -12.312 11.199 1150 2HG1 ILE 46 1HG1 ILE 46 -23.254 -10.768 11.332 1151 1HG2 ILE 46 1HG2 ILE 46 -25.806 -11.248 8.867 1152 2HG2 ILE 46 3HG2 ILE 46 -25.631 -10.715 10.539 1153 3HG2 ILE 46 2HG2 ILE 46 -24.548 -10.090 9.295 1154 1HD1 ILE 46 2HD1 ILE 46 -25.241 -12.425 12.148 1155 2HD1 ILE 46 1HD1 ILE 46 -23.835 -13.341 12.685 1156 3HD1 ILE 46 3HD1 ILE 46 -24.080 -11.693 13.250 1157 H ILE 47 HN ILE 47 -24.121 -15.351 8.463 1158 HA ILE 47 HA ILE 47 -24.958 -14.611 5.894 1159 HB ILE 47 HB ILE 47 -23.605 -16.538 6.145 1160 1HG1 ILE 47 2HG1 ILE 47 -24.899 -18.370 5.130 1161 2HG1 ILE 47 1HG1 ILE 47 -26.404 -17.570 5.585 1162 1HG2 ILE 47 3HG2 ILE 47 -25.632 -17.268 8.232 1163 2HG2 ILE 47 2HG2 ILE 47 -24.700 -18.553 7.461 1164 3HG2 ILE 47 1HG2 ILE 47 -23.872 -17.265 8.338 1165 1HD1 ILE 47 1HD1 ILE 47 -25.046 -15.562 4.273 1166 2HD1 ILE 47 3HD1 ILE 47 -24.579 -16.993 3.355 1167 3HD1 ILE 47 2HD1 ILE 47 -26.285 -16.586 3.545 No H/Q in entry = 1167 Start of MODEL 7 1 1H GLY 1 2H GLY 1 20.299 -14.336 -24.593 2 2H GLY 1 1H GLY 1 21.227 -15.471 -23.735 3 3H GLY 1 3H GLY 1 19.574 -15.748 -23.988 4 1HA GLY 1 2HA GLY 1 19.374 -14.951 -21.908 5 2HA GLY 1 1HA GLY 1 20.901 -14.072 -22.022 6 H SER 2 H SER 2 17.486 -13.819 -22.296 7 HA SER 2 HA SER 2 17.371 -11.403 -23.901 8 1HB SER 2 2HB SER 2 15.599 -13.143 -22.290 9 2HB SER 2 1HB SER 2 15.079 -11.462 -22.403 10 HG SER 2 HG SER 2 14.269 -12.640 -24.146 11 H HIS 3 H HIS 3 18.831 -9.878 -22.953 12 HA HIS 3 HA HIS 3 17.809 -8.595 -20.469 13 1HB HIS 3 2HB HIS 3 19.700 -10.422 -20.190 14 2HB HIS 3 1HB HIS 3 20.750 -9.133 -20.777 15 HD1 HIS 3 HD1 HIS 3 18.139 -9.691 -18.048 16 HD2 HIS 3 HD2 HIS 3 21.490 -7.329 -18.811 17 HE1 HIS 3 HE1 HIS 3 18.585 -8.371 -15.931 18 H MET 4 H MET 4 19.015 -6.450 -20.135 19 HA MET 4 HA MET 4 19.450 -5.165 -22.795 20 1HB MET 4 2HB MET 4 18.215 -4.499 -20.242 21 2HB MET 4 1HB MET 4 19.355 -3.250 -20.744 22 1HG MET 4 2HG MET 4 18.216 -2.874 -22.789 23 2HG MET 4 1HG MET 4 17.308 -4.380 -22.655 24 1HE MET 4 1HE MET 4 15.165 -3.730 -23.007 25 2HE MET 4 3HE MET 4 14.192 -2.514 -22.168 26 3HE MET 4 2HE MET 4 15.420 -2.017 -23.330 27 H GLU 5 H GLU 5 21.112 -3.242 -22.577 28 HA GLU 5 HA GLU 5 23.524 -4.247 -21.094 29 1HB GLU 5 2HB GLU 5 22.983 -3.559 -23.880 30 2HB GLU 5 1HB GLU 5 24.361 -2.661 -23.240 31 1HG GLU 5 2HG GLU 5 25.443 -4.719 -22.535 32 2HG GLU 5 1HG GLU 5 24.028 -5.666 -22.997 33 H GLU 6 H GLU 6 21.290 -2.075 -20.613 34 HA GLU 6 HA GLU 6 23.213 0.080 -19.813 35 1HB GLU 6 2HB GLU 6 21.600 1.723 -20.659 36 2HB GLU 6 1HB GLU 6 22.022 0.597 -21.949 37 1HG GLU 6 2HG GLU 6 19.958 -0.762 -21.129 38 2HG GLU 6 1HG GLU 6 19.482 0.742 -20.338 39 H ASP 7 H ASP 7 23.024 0.281 -17.611 40 HA ASP 7 HA ASP 7 20.558 0.799 -16.290 41 1HB ASP 7 2HB ASP 7 20.126 -1.542 -16.837 42 2HB ASP 7 1HB ASP 7 21.667 -2.017 -16.123 43 HA PRO 8 HA PRO 8 24.529 1.450 -13.957 44 1HB PRO 8 2HB PRO 8 24.566 4.184 -14.054 45 2HB PRO 8 1HB PRO 8 25.309 3.162 -15.299 46 1HG PRO 8 2HG PRO 8 22.768 4.674 -15.367 47 2HG PRO 8 1HG PRO 8 23.888 4.282 -16.676 48 1HD PRO 8 2HD PRO 8 21.477 2.989 -16.165 49 2HD PRO 8 1HD PRO 8 22.795 2.360 -17.175 50 H CYS 9 H CYS 9 22.111 4.095 -13.731 51 HA CYS 9 HA CYS 9 21.859 3.484 -10.810 52 1HB CYS 9 2HB CYS 9 21.831 5.924 -12.531 53 2HB CYS 9 1HB CYS 9 20.819 5.948 -11.083 54 H GLU 10 H GLU 10 20.346 2.100 -12.991 55 HA GLU 10 HA GLU 10 18.104 1.605 -13.596 56 1HB GLU 10 2HB GLU 10 18.183 2.171 -10.631 57 2HB GLU 10 1HB GLU 10 16.707 1.603 -11.412 58 1HG GLU 10 2HG GLU 10 17.499 -0.505 -11.606 59 2HG GLU 10 1HG GLU 10 19.059 0.057 -12.207 60 H CYS 11 H CYS 11 18.783 4.361 -14.177 61 HA CYS 11 HA CYS 11 17.179 6.387 -13.208 62 1HB CYS 11 2HB CYS 11 18.264 5.608 -15.874 63 2HB CYS 11 1HB CYS 11 17.098 6.934 -15.836 64 H LYS 12 H LYS 12 16.162 3.623 -15.124 65 HA LYS 12 HA LYS 12 13.344 4.661 -15.035 66 1HB LYS 12 2HB LYS 12 14.585 2.764 -17.049 67 2HB LYS 12 1HB LYS 12 13.024 3.576 -17.171 68 1HG LYS 12 2HG LYS 12 15.765 4.868 -17.246 69 2HG LYS 12 1HG LYS 12 14.585 4.793 -18.555 70 1HD LYS 12 2HD LYS 12 13.148 5.931 -16.471 71 2HD LYS 12 1HD LYS 12 14.746 6.660 -16.308 72 1HE LYS 12 2HE LYS 12 14.647 7.146 -18.816 73 2HE LYS 12 1HE LYS 12 12.929 6.710 -18.733 74 1HZ LYS 12 2HZ LYS 12 13.076 8.267 -16.621 75 2HZ LYS 12 1HZ LYS 12 14.327 8.974 -17.526 76 3HZ LYS 12 3HZ LYS 12 12.761 8.893 -18.169 77 H SER 13 H SER 13 15.498 2.250 -13.990 78 HA SER 13 HA SER 13 13.594 0.031 -13.864 79 1HB SER 13 2HB SER 13 16.395 0.667 -13.076 80 2HB SER 13 1HB SER 13 15.612 -0.651 -12.213 81 HG SER 13 HG SER 13 15.024 -1.416 -14.395 82 H ILE 14 H ILE 14 14.578 2.685 -11.805 83 HA ILE 14 HA ILE 14 13.340 1.597 -9.365 84 HB ILE 14 HB ILE 14 14.539 4.242 -10.221 85 1HG1 ILE 14 2HG1 ILE 14 15.604 2.402 -8.107 86 2HG1 ILE 14 1HG1 ILE 14 15.874 2.010 -9.802 87 1HG2 ILE 14 3HG2 ILE 14 12.807 4.602 -8.482 88 2HG2 ILE 14 2HG2 ILE 14 13.599 3.404 -7.459 89 3HG2 ILE 14 1HG2 ILE 14 14.427 4.910 -7.855 90 1HD1 ILE 14 2HD1 ILE 14 16.742 4.386 -10.086 91 2HD1 ILE 14 1HD1 ILE 14 16.730 4.507 -8.326 92 3HD1 ILE 14 3HD1 ILE 14 17.760 3.316 -9.123 93 H VAL 15 H VAL 15 12.608 3.881 -11.927 94 HA VAL 15 HA VAL 15 10.086 4.771 -10.684 95 HB VAL 15 HB VAL 15 10.646 5.306 -13.559 96 1HG1 VAL 15 2HG1 VAL 15 9.859 6.862 -11.098 97 2HG1 VAL 15 1HG1 VAL 15 10.306 7.687 -12.592 98 3HG1 VAL 15 3HG1 VAL 15 8.927 6.587 -12.569 99 1HG2 VAL 15 3HG2 VAL 15 12.590 6.015 -11.362 100 2HG2 VAL 15 2HG2 VAL 15 12.932 5.430 -12.990 101 3HG2 VAL 15 1HG2 VAL 15 12.383 7.088 -12.746 102 H LYS 16 H LYS 16 11.281 2.332 -12.782 103 HA LYS 16 HA LYS 16 8.769 1.685 -14.122 104 1HB LYS 16 2HB LYS 16 10.795 1.027 -15.193 105 2HB LYS 16 1HB LYS 16 11.466 0.374 -13.697 106 1HG LYS 16 2HG LYS 16 8.913 -0.818 -14.648 107 2HG LYS 16 1HG LYS 16 10.361 -1.196 -15.581 108 1HD LYS 16 2HD LYS 16 10.637 -1.371 -12.632 109 2HD LYS 16 1HD LYS 16 9.618 -2.598 -13.386 110 1HE LYS 16 2HE LYS 16 12.237 -2.017 -14.705 111 2HE LYS 16 1HE LYS 16 12.269 -2.938 -13.187 112 1HZ LYS 16 1HZ LYS 16 10.273 -4.166 -14.274 113 2HZ LYS 16 3HZ LYS 16 10.937 -3.598 -15.727 114 3HZ LYS 16 2HZ LYS 16 11.859 -4.596 -14.708 115 H PHE 17 H PHE 17 10.615 0.555 -11.318 116 HA PHE 17 HA PHE 17 8.767 -1.530 -10.535 117 1HB PHE 17 2HB PHE 17 10.888 -1.773 -9.615 118 2HB PHE 17 1HB PHE 17 11.122 -0.035 -9.445 119 HD1 PHE 17 HD2 PHE 17 9.812 1.194 -7.624 120 HD2 PHE 17 HD1 PHE 17 10.150 -3.084 -7.793 121 HE1 PHE 17 HE2 PHE 17 9.172 1.050 -5.234 122 HE2 PHE 17 HE1 PHE 17 9.512 -3.229 -5.406 123 HZ PHE 17 HZ PHE 17 9.025 -1.165 -4.120 124 H GLN 18 H GLN 18 9.077 1.934 -9.964 125 HA GLN 18 HA GLN 18 7.297 2.256 -7.765 126 1HB GLN 18 2HB GLN 18 8.298 3.881 -10.066 127 2HB GLN 18 1HB GLN 18 6.953 4.529 -9.127 128 1HG GLN 18 2HG GLN 18 8.359 4.039 -7.046 129 2HG GLN 18 1HG GLN 18 9.714 3.790 -8.145 130 1HE2 GLN 18 2HE2 GLN 18 8.737 7.439 -9.197 131 2HE2 GLN 18 1HE2 GLN 18 8.168 5.999 -9.890 132 H THR 19 H THR 19 6.644 2.328 -11.269 133 HA THR 19 HA THR 19 3.859 2.821 -11.204 134 HB THR 19 HB THR 19 5.730 2.458 -13.092 135 HG1 THR 19 HG1 THR 19 3.899 3.340 -13.760 136 1HG2 THR 19 1HG2 THR 19 5.734 -0.045 -12.549 137 2HG2 THR 19 3HG2 THR 19 4.151 -0.106 -13.321 138 3HG2 THR 19 2HG2 THR 19 5.566 0.386 -14.250 139 H LYS 20 H LYS 20 5.676 -0.154 -10.666 140 HA LYS 20 HA LYS 20 3.407 -1.954 -10.680 141 1HB LYS 20 2HB LYS 20 6.264 -1.955 -9.745 142 2HB LYS 20 1HB LYS 20 5.204 -3.271 -9.235 143 1HG LYS 20 2HG LYS 20 4.677 -2.959 -11.968 144 2HG LYS 20 1HG LYS 20 6.429 -2.805 -11.831 145 1HD LYS 20 2HD LYS 20 5.723 -4.924 -10.114 146 2HD LYS 20 1HD LYS 20 4.790 -5.178 -11.589 147 1HE LYS 20 2HE LYS 20 7.068 -4.659 -12.803 148 2HE LYS 20 1HE LYS 20 7.777 -5.102 -11.237 149 1HZ LYS 20 1HZ LYS 20 5.682 -6.750 -12.523 150 2HZ LYS 20 3HZ LYS 20 7.326 -6.990 -12.862 151 3HZ LYS 20 2HZ LYS 20 6.751 -7.187 -11.276 152 H VAL 21 H VAL 21 5.062 -0.024 -8.242 153 HA VAL 21 HA VAL 21 3.528 -1.046 -5.982 154 HB VAL 21 HB VAL 21 5.510 1.116 -6.609 155 1HG1 VAL 21 2HG1 VAL 21 3.735 1.020 -4.161 156 2HG1 VAL 21 1HG1 VAL 21 5.306 1.824 -4.156 157 3HG1 VAL 21 3HG1 VAL 21 4.030 2.387 -5.235 158 1HG2 VAL 21 2HG2 VAL 21 6.213 -1.183 -5.991 159 2HG2 VAL 21 1HG2 VAL 21 6.748 0.003 -4.799 160 3HG2 VAL 21 3HG2 VAL 21 5.352 -1.022 -4.460 161 H GLU 22 H GLU 22 3.019 1.220 -8.520 162 HA GLU 22 HA GLU 22 1.133 2.974 -7.168 163 1HB GLU 22 2HB GLU 22 2.162 2.413 -9.914 164 2HB GLU 22 1HB GLU 22 0.634 3.279 -9.798 165 1HG GLU 22 2HG GLU 22 2.738 4.242 -7.965 166 2HG GLU 22 1HG GLU 22 3.084 4.479 -9.680 167 H GLU 23 H GLU 23 0.828 0.248 -9.460 168 HA GLU 23 HA GLU 23 -2.081 0.206 -9.331 169 1HB GLU 23 2HB GLU 23 -1.724 -1.913 -10.615 170 2HB GLU 23 1HB GLU 23 -0.812 -0.558 -11.280 171 1HG GLU 23 2HG GLU 23 1.231 -1.336 -10.375 172 2HG GLU 23 1HG GLU 23 0.417 -2.428 -9.255 173 H LEU 24 H LEU 24 0.543 -1.329 -7.575 174 HA LEU 24 HA LEU 24 -1.046 -3.407 -6.321 175 1HB LEU 24 2HB LEU 24 1.568 -2.959 -6.644 176 2HB LEU 24 1HB LEU 24 1.388 -2.195 -5.063 177 HG LEU 24 HG LEU 24 1.965 -4.519 -4.707 178 1HD1 LEU 24 3HD1 LEU 24 0.101 -3.385 -3.338 179 2HD1 LEU 24 2HD1 LEU 24 -1.022 -4.362 -4.283 180 3HD1 LEU 24 1HD1 LEU 24 0.186 -5.145 -3.265 181 1HD2 LEU 24 1HD2 LEU 24 0.784 -5.021 -7.090 182 2HD2 LEU 24 3HD2 LEU 24 1.094 -6.281 -5.896 183 3HD2 LEU 24 2HD2 LEU 24 -0.506 -5.548 -6.008 184 H ILE 25 H ILE 25 0.103 -0.184 -5.282 185 HA ILE 25 HA ILE 25 -1.061 -0.169 -2.689 186 HB ILE 25 HB ILE 25 0.165 1.647 -4.619 187 1HG1 ILE 25 2HG1 ILE 25 1.245 2.494 -2.667 188 2HG1 ILE 25 1HG1 ILE 25 -0.045 1.913 -1.616 189 1HG2 ILE 25 3HG2 ILE 25 -1.971 2.802 -2.797 190 2HG2 ILE 25 2HG2 ILE 25 -0.770 3.747 -3.678 191 3HG2 ILE 25 1HG2 ILE 25 -1.985 2.825 -4.561 192 1HD1 ILE 25 3HD1 ILE 25 1.078 -0.252 -3.198 193 2HD1 ILE 25 2HD1 ILE 25 2.322 0.557 -2.244 194 3HD1 ILE 25 1HD1 ILE 25 0.903 -0.123 -1.448 195 H ASN 26 H ASN 26 -2.407 0.753 -5.865 196 HA ASN 26 HA ASN 26 -4.909 1.773 -4.911 197 1HB ASN 26 2HB ASN 26 -3.676 1.734 -7.261 198 2HB ASN 26 1HB ASN 26 -4.641 0.276 -7.497 199 1HD2 ASN 26 2HD2 ASN 26 -7.761 2.046 -7.585 200 2HD2 ASN 26 1HD2 ASN 26 -7.060 0.535 -7.262 201 H THR 27 H THR 27 -3.886 -1.477 -5.901 202 HA THR 27 HA THR 27 -6.406 -2.796 -5.645 203 HB THR 27 HB THR 27 -3.507 -3.624 -5.382 204 HG1 THR 27 HG1 THR 27 -5.510 -3.722 -7.361 205 1HG2 THR 27 3HG2 THR 27 -6.016 -5.204 -4.988 206 2HG2 THR 27 2HG2 THR 27 -4.671 -5.972 -5.832 207 3HG2 THR 27 1HG2 THR 27 -4.454 -5.368 -4.190 208 H LEU 28 H LEU 28 -3.914 -1.955 -3.271 209 HA LEU 28 HA LEU 28 -4.995 -3.540 -1.101 210 1HB LEU 28 2HB LEU 28 -3.125 -1.179 -1.386 211 2HB LEU 28 1HB LEU 28 -3.545 -1.821 0.204 212 HG LEU 28 HG LEU 28 -2.745 -3.840 -1.812 213 1HD1 LEU 28 2HD1 LEU 28 -0.809 -1.805 -0.676 214 2HD1 LEU 28 1HD1 LEU 28 -0.308 -3.358 -1.344 215 3HD1 LEU 28 3HD1 LEU 28 -1.100 -2.166 -2.377 216 1HD2 LEU 28 2HD2 LEU 28 -2.727 -3.386 1.093 217 2HD2 LEU 28 1HD2 LEU 28 -2.833 -4.899 0.193 218 3HD2 LEU 28 3HD2 LEU 28 -1.260 -4.159 0.492 219 H GLN 29 H GLN 29 -5.272 -0.116 -2.040 220 HA GLN 29 HA GLN 29 -7.080 0.640 0.075 221 1HB GLN 29 2HB GLN 29 -5.536 1.947 -1.648 222 2HB GLN 29 1HB GLN 29 -7.000 1.936 -2.629 223 1HG GLN 29 2HG GLN 29 -8.142 2.745 -0.388 224 2HG GLN 29 1HG GLN 29 -6.505 3.260 0.017 225 1HE2 GLN 29 2HE2 GLN 29 -6.455 5.895 -2.384 226 2HE2 GLN 29 1HE2 GLN 29 -5.503 4.925 -1.368 227 H GLN 30 H GLN 30 -7.423 -1.232 -2.756 228 HA GLN 30 HA GLN 30 -10.254 -0.643 -3.263 229 1HB GLN 30 2HB GLN 30 -8.174 -2.605 -4.246 230 2HB GLN 30 1HB GLN 30 -9.853 -2.727 -4.761 231 1HG GLN 30 2HG GLN 30 -8.984 0.006 -4.969 232 2HG GLN 30 1HG GLN 30 -7.854 -1.039 -5.824 233 1HE2 GLN 30 2HE2 GLN 30 -10.244 -2.072 -8.275 234 2HE2 GLN 30 1HE2 GLN 30 -8.790 -2.500 -7.513 235 H LYS 31 H LYS 31 -8.377 -3.453 -2.101 236 HA LYS 31 HA LYS 31 -10.701 -4.949 -1.232 237 1HB LYS 31 2HB LYS 31 -7.834 -5.198 -1.395 238 2HB LYS 31 1HB LYS 31 -8.359 -5.685 0.216 239 1HG LYS 31 2HG LYS 31 -9.802 -7.358 -0.636 240 2HG LYS 31 1HG LYS 31 -9.753 -6.686 -2.265 241 1HD LYS 31 2HD LYS 31 -7.155 -7.162 -2.026 242 2HD LYS 31 1HD LYS 31 -7.707 -8.340 -0.836 243 1HE LYS 31 2HE LYS 31 -9.434 -8.648 -3.051 244 2HE LYS 31 1HE LYS 31 -7.795 -8.529 -3.721 245 1HZ LYS 31 3HZ LYS 31 -7.058 -10.123 -2.027 246 2HZ LYS 31 2HZ LYS 31 -8.661 -10.296 -1.493 247 3HZ LYS 31 1HZ LYS 31 -8.226 -10.795 -3.057 248 H LEU 32 H LEU 32 -8.945 -2.286 0.028 249 HA LEU 32 HA LEU 32 -9.618 -2.739 2.849 250 1HB LEU 32 2HB LEU 32 -7.592 -1.525 1.734 251 2HB LEU 32 1HB LEU 32 -8.703 -0.166 1.566 252 HG LEU 32 HG LEU 32 -9.067 -0.087 3.956 253 1HD1 LEU 32 1HD1 LEU 32 -7.617 -2.712 3.861 254 2HD1 LEU 32 3HD1 LEU 32 -7.534 -1.737 5.325 255 3HD1 LEU 32 2HD1 LEU 32 -9.095 -2.293 4.722 256 1HD2 LEU 32 2HD2 LEU 32 -6.347 -0.032 2.814 257 2HD2 LEU 32 1HD2 LEU 32 -7.179 1.180 3.789 258 3HD2 LEU 32 3HD2 LEU 32 -6.389 -0.189 4.570 259 H GLU 33 H GLU 33 -10.628 -0.499 0.240 260 HA GLU 33 HA GLU 33 -12.660 0.821 1.823 261 1HB GLU 33 2HB GLU 33 -11.683 1.869 -0.133 262 2HB GLU 33 1HB GLU 33 -12.154 0.507 -1.154 263 1HG GLU 33 2HG GLU 33 -14.522 1.003 -0.773 264 2HG GLU 33 1HG GLU 33 -14.089 2.327 0.307 265 H ALA 34 H ALA 34 -12.491 -2.192 0.166 266 HA ALA 34 HA ALA 34 -15.429 -2.515 -0.009 267 1HB ALA 34 3HB ALA 34 -13.674 -3.313 -1.716 268 2HB ALA 34 2HB ALA 34 -13.221 -4.533 -0.525 269 3HB ALA 34 1HB ALA 34 -14.849 -4.523 -1.203 270 H VAL 35 H VAL 35 -12.633 -3.506 1.857 271 HA VAL 35 HA VAL 35 -13.848 -5.543 3.470 272 HB VAL 35 HB VAL 35 -11.435 -3.824 3.383 273 1HG1 VAL 35 3HG1 VAL 35 -12.300 -3.433 5.713 274 2HG1 VAL 35 2HG1 VAL 35 -12.182 -5.170 5.989 275 3HG1 VAL 35 1HG1 VAL 35 -10.730 -4.227 5.654 276 1HG2 VAL 35 3HG2 VAL 35 -11.525 -6.139 2.518 277 2HG2 VAL 35 2HG2 VAL 35 -10.331 -5.975 3.806 278 3HG2 VAL 35 1HG2 VAL 35 -11.894 -6.721 4.142 279 H ALA 36 H ALA 36 -13.575 -1.999 3.775 280 HA ALA 36 HA ALA 36 -14.767 -1.810 6.396 281 1HB ALA 36 3HB ALA 36 -13.388 -0.078 5.200 282 2HB ALA 36 2HB ALA 36 -14.739 0.177 4.097 283 3HB ALA 36 1HB ALA 36 -14.915 0.560 5.811 284 H LYS 37 H LYS 37 -16.014 -1.983 3.107 285 HA LYS 37 HA LYS 37 -18.748 -1.258 3.800 286 1HB LYS 37 2HB LYS 37 -17.146 -1.946 1.492 287 2HB LYS 37 1HB LYS 37 -18.664 -2.847 1.455 288 1HG LYS 37 2HG LYS 37 -19.928 -0.967 1.174 289 2HG LYS 37 1HG LYS 37 -18.897 0.002 2.229 290 1HD LYS 37 2HD LYS 37 -17.347 0.444 0.516 291 2HD LYS 37 1HD LYS 37 -17.915 -0.904 -0.471 292 1HE LYS 37 2HE LYS 37 -19.480 0.397 -1.475 293 2HE LYS 37 1HE LYS 37 -20.055 1.014 0.089 294 1HZ LYS 37 1HZ LYS 37 -17.539 1.871 -1.241 295 2HZ LYS 37 3HZ LYS 37 -18.989 2.751 -1.284 296 3HZ LYS 37 2HZ LYS 37 -18.190 2.502 0.195 297 H ARG 38 H ARG 38 -16.856 -4.209 3.761 298 HA ARG 38 HA ARG 38 -19.141 -6.015 3.978 299 1HB ARG 38 2HB ARG 38 -16.200 -6.386 4.646 300 2HB ARG 38 1HB ARG 38 -17.367 -7.665 4.322 301 1HG ARG 38 2HG ARG 38 -17.310 -5.680 2.186 302 2HG ARG 38 1HG ARG 38 -15.734 -6.434 2.433 303 1HD ARG 38 2HD ARG 38 -18.103 -8.255 2.433 304 2HD ARG 38 1HD ARG 38 -17.600 -7.577 0.872 305 HE ARG 38 HE ARG 38 -15.393 -8.611 2.511 306 1HH1 ARG 38 1HH2 ARG 38 -15.847 -8.397 -0.586 307 2HH1 ARG 38 2HH2 ARG 38 -15.844 -10.080 -0.995 308 1HH2 ARG 38 2HH1 ARG 38 -16.218 -11.151 2.280 309 2HH2 ARG 38 1HH1 ARG 38 -16.050 -11.638 0.627 310 H ILE 39 H ILE 39 -16.917 -4.359 6.152 311 HA ILE 39 HA ILE 39 -17.612 -5.685 8.593 312 HB ILE 39 HB ILE 39 -16.453 -3.040 7.746 313 1HG1 ILE 39 2HG1 ILE 39 -15.220 -5.316 7.837 314 2HG1 ILE 39 1HG1 ILE 39 -14.434 -3.933 8.592 315 1HG2 ILE 39 3HG2 ILE 39 -17.873 -2.637 9.780 316 2HG2 ILE 39 2HG2 ILE 39 -16.908 -3.839 10.637 317 3HG2 ILE 39 1HG2 ILE 39 -16.155 -2.356 10.049 318 1HD1 ILE 39 3HD1 ILE 39 -16.212 -5.248 10.466 319 2HD1 ILE 39 2HD1 ILE 39 -15.040 -6.388 9.810 320 3HD1 ILE 39 1HD1 ILE 39 -14.486 -4.921 10.614 321 H GLU 40 H GLU 40 -18.901 -2.767 6.995 322 HA GLU 40 HA GLU 40 -20.917 -2.225 9.000 323 1HB GLU 40 2HB GLU 40 -21.807 -0.739 7.227 324 2HB GLU 40 1HB GLU 40 -20.057 -0.574 7.349 325 1HG GLU 40 2HG GLU 40 -19.703 -1.945 5.417 326 2HG GLU 40 1HG GLU 40 -21.394 -2.440 5.379 327 H ALA 41 H ALA 41 -20.724 -4.186 6.078 328 HA ALA 41 HA ALA 41 -23.452 -4.850 5.702 329 1HB ALA 41 2HB ALA 41 -21.002 -5.549 4.645 330 2HB ALA 41 1HB ALA 41 -21.484 -7.046 5.444 331 3HB ALA 41 3HB ALA 41 -22.524 -6.329 4.213 332 H LEU 42 H LEU 42 -21.027 -6.046 7.968 333 HA LEU 42 HA LEU 42 -22.732 -8.106 9.139 334 1HB LEU 42 2HB LEU 42 -20.099 -6.759 9.754 335 2HB LEU 42 1HB LEU 42 -20.840 -7.795 10.961 336 HG LEU 42 HG LEU 42 -19.551 -9.369 9.904 337 1HD1 LEU 42 1HD1 LEU 42 -22.059 -9.823 9.437 338 2HD1 LEU 42 3HD1 LEU 42 -21.670 -9.392 7.772 339 3HD1 LEU 42 2HD1 LEU 42 -20.858 -10.756 8.543 340 1HD2 LEU 42 1HD2 LEU 42 -18.786 -7.470 8.283 341 2HD2 LEU 42 3HD2 LEU 42 -18.582 -9.151 7.792 342 3HD2 LEU 42 2HD2 LEU 42 -19.930 -8.206 7.160 343 H GLU 43 H GLU 43 -21.833 -4.764 9.860 344 HA GLU 43 HA GLU 43 -23.124 -4.566 12.422 345 1HB GLU 43 2HB GLU 43 -22.518 -2.510 10.275 346 2HB GLU 43 1HB GLU 43 -22.842 -2.147 11.971 347 1HG GLU 43 2HG GLU 43 -20.880 -4.107 12.082 348 2HG GLU 43 1HG GLU 43 -20.387 -3.098 10.721 349 H ASN 44 H ASN 44 -24.347 -4.709 9.219 350 HA ASN 44 HA ASN 44 -26.812 -3.220 9.669 351 1HB ASN 44 2HB ASN 44 -25.687 -5.115 7.612 352 2HB ASN 44 1HB ASN 44 -27.381 -4.629 7.526 353 1HD2 ASN 44 2HD2 ASN 44 -25.425 -2.145 5.545 354 2HD2 ASN 44 1HD2 ASN 44 -25.729 -3.811 5.434 355 H LYS 45 H LYS 45 -25.653 -6.443 10.268 356 HA LYS 45 HA LYS 45 -28.416 -7.360 10.969 357 1HB LYS 45 2HB LYS 45 -25.830 -8.828 10.349 358 2HB LYS 45 1HB LYS 45 -27.350 -9.619 10.769 359 1HG LYS 45 2HG LYS 45 -27.284 -9.628 8.388 360 2HG LYS 45 1HG LYS 45 -28.389 -8.320 8.817 361 1HD LYS 45 2HD LYS 45 -26.966 -6.693 8.075 362 2HD LYS 45 1HD LYS 45 -25.529 -7.563 8.613 363 1HE LYS 45 2HE LYS 45 -27.055 -8.783 6.353 364 2HE LYS 45 1HE LYS 45 -26.126 -7.313 6.001 365 1HZ LYS 45 2HZ LYS 45 -24.607 -8.947 7.707 366 2HZ LYS 45 1HZ LYS 45 -25.141 -9.901 6.406 367 3HZ LYS 45 3HZ LYS 45 -24.259 -8.483 6.109 368 H ILE 46 H ILE 46 -25.400 -6.360 12.269 369 HA ILE 46 HA ILE 46 -25.817 -7.830 14.828 370 HB ILE 46 HB ILE 46 -23.599 -6.072 13.720 371 1HG1 ILE 46 2HG1 ILE 46 -23.170 -8.058 12.645 372 2HG1 ILE 46 1HG1 ILE 46 -22.451 -8.479 14.192 373 1HG2 ILE 46 2HG2 ILE 46 -24.198 -6.916 16.437 374 2HG2 ILE 46 1HG2 ILE 46 -22.624 -7.511 15.906 375 3HG2 ILE 46 3HG2 ILE 46 -22.975 -5.784 15.860 376 1HD1 ILE 46 3HD1 ILE 46 -25.299 -9.110 13.361 377 2HD1 ILE 46 2HD1 ILE 46 -23.965 -10.260 13.388 378 3HD1 ILE 46 1HD1 ILE 46 -24.551 -9.556 14.895 379 H ILE 47 HN ILE 47 -26.274 -4.730 13.347 380 HA ILE 47 HA ILE 47 -26.121 -2.993 15.601 381 HB ILE 47 HB ILE 47 -26.299 -2.228 13.297 382 1HG1 ILE 47 2HG1 ILE 47 -28.948 -1.299 14.186 383 2HG1 ILE 47 1HG1 ILE 47 -27.694 -1.159 15.419 384 1HG2 ILE 47 1HG2 ILE 47 -28.264 -4.237 13.131 385 2HG2 ILE 47 3HG2 ILE 47 -29.118 -2.717 12.863 386 3HG2 ILE 47 2HG2 ILE 47 -27.747 -3.150 11.842 387 1HD1 ILE 47 3HD1 ILE 47 -27.435 -0.122 12.580 388 2HD1 ILE 47 2HD1 ILE 47 -27.852 0.873 13.974 389 3HD1 ILE 47 1HD1 ILE 47 -26.271 0.097 13.885 390 1H GLY 1 2H GLY 1 3.631 28.303 -20.000 391 2H GLY 1 1H GLY 1 2.546 27.864 -21.233 392 3H GLY 1 3H GLY 1 1.963 28.225 -19.682 393 1HA GLY 1 2HA GLY 1 1.909 25.936 -19.672 394 2HA GLY 1 1HA GLY 1 3.399 25.829 -20.612 395 H SER 2 H SER 2 2.098 25.779 -17.469 396 HA SER 2 HA SER 2 4.479 26.667 -16.034 397 1HB SER 2 2HB SER 2 1.780 25.581 -15.490 398 2HB SER 2 1HB SER 2 2.995 25.187 -14.277 399 HG SER 2 HG SER 2 2.024 27.178 -13.810 400 H HIS 3 H HIS 3 6.255 25.383 -16.702 401 HA HIS 3 HA HIS 3 6.242 22.593 -15.679 402 1HB HIS 3 2HB HIS 3 5.528 22.904 -18.202 403 2HB HIS 3 1HB HIS 3 7.257 23.143 -18.457 404 HD1 HIS 3 HD1 HIS 3 4.884 20.584 -16.924 405 HD2 HIS 3 HD2 HIS 3 8.715 20.786 -18.555 406 HE1 HIS 3 HE1 HIS 3 5.738 18.203 -17.045 407 H MET 4 H MET 4 8.562 21.694 -15.844 408 HA MET 4 HA MET 4 10.473 23.898 -15.207 409 1HB MET 4 2HB MET 4 9.877 21.193 -14.256 410 2HB MET 4 1HB MET 4 11.602 21.444 -14.533 411 1HG MET 4 2HG MET 4 11.632 23.368 -13.078 412 2HG MET 4 1HG MET 4 9.873 23.364 -12.952 413 1HE MET 4 1HE MET 4 10.000 23.694 -10.816 414 2HE MET 4 3HE MET 4 9.722 22.373 -9.671 415 3HE MET 4 2HE MET 4 11.321 23.096 -9.816 416 H GLU 5 H GLU 5 12.814 23.362 -15.869 417 HA GLU 5 HA GLU 5 12.828 22.210 -18.642 418 1HB GLU 5 2HB GLU 5 13.755 24.695 -17.408 419 2HB GLU 5 1HB GLU 5 15.031 23.895 -18.327 420 1HG GLU 5 2HG GLU 5 13.571 23.778 -20.297 421 2HG GLU 5 1HG GLU 5 12.256 24.518 -19.383 422 H GLU 6 H GLU 6 13.392 20.925 -15.901 423 HA GLU 6 HA GLU 6 16.004 19.709 -16.677 424 1HB GLU 6 2HB GLU 6 16.782 20.000 -14.335 425 2HB GLU 6 1HB GLU 6 16.452 21.555 -15.099 426 1HG GLU 6 2HG GLU 6 14.054 21.238 -14.087 427 2HG GLU 6 1HG GLU 6 14.858 20.102 -13.005 428 H ASP 7 H ASP 7 15.557 17.533 -16.761 429 HA ASP 7 HA ASP 7 14.578 16.048 -14.543 430 1HB ASP 7 2HB ASP 7 12.493 17.216 -15.073 431 2HB ASP 7 1HB ASP 7 12.603 16.691 -16.753 432 HA PRO 8 HA PRO 8 16.374 13.772 -18.179 433 1HB PRO 8 2HB PRO 8 18.762 13.095 -17.028 434 2HB PRO 8 1HB PRO 8 18.516 14.603 -17.928 435 1HG PRO 8 2HG PRO 8 18.664 14.150 -15.008 436 2HG PRO 8 1HG PRO 8 19.159 15.552 -15.962 437 1HD PRO 8 2HD PRO 8 16.828 15.368 -14.460 438 2HD PRO 8 1HD PRO 8 17.131 16.543 -15.758 439 H CYS 9 H CYS 9 17.441 12.755 -14.905 440 HA CYS 9 HA CYS 9 16.143 10.104 -15.415 441 1HB CYS 9 2HB CYS 9 18.590 11.091 -14.009 442 2HB CYS 9 1HB CYS 9 17.806 9.645 -13.362 443 H GLU 10 H GLU 10 14.801 12.590 -14.328 444 HA GLU 10 HA GLU 10 13.450 13.226 -12.482 445 1HB GLU 10 2HB GLU 10 13.246 10.229 -12.816 446 2HB GLU 10 1HB GLU 10 12.253 11.082 -11.634 447 1HG GLU 10 2HG GLU 10 10.892 11.919 -13.234 448 2HG GLU 10 1HG GLU 10 12.252 12.399 -14.247 449 H CYS 11 H CYS 11 16.225 13.033 -11.744 450 HA CYS 11 HA CYS 11 16.946 11.419 -9.614 451 1HB CYS 11 2HB CYS 11 17.463 14.241 -10.436 452 2HB CYS 11 1HB CYS 11 18.021 13.750 -8.834 453 H LYS 12 H LYS 12 14.618 14.048 -9.615 454 HA LYS 12 HA LYS 12 14.127 13.553 -6.695 455 1HB LYS 12 2HB LYS 12 13.568 16.057 -8.313 456 2HB LYS 12 1HB LYS 12 13.537 15.895 -6.557 457 1HG LYS 12 2HG LYS 12 15.962 15.690 -8.363 458 2HG LYS 12 1HG LYS 12 15.632 16.943 -7.165 459 1HD LYS 12 2HD LYS 12 15.427 14.538 -5.744 460 2HD LYS 12 1HD LYS 12 16.827 14.317 -6.793 461 1HE LYS 12 2HE LYS 12 17.577 16.659 -5.994 462 2HE LYS 12 1HE LYS 12 16.380 16.454 -4.700 463 1HZ LYS 12 2HZ LYS 12 17.507 14.070 -4.650 464 2HZ LYS 12 1HZ LYS 12 18.842 14.965 -5.201 465 3HZ LYS 12 3HZ LYS 12 18.101 15.367 -3.729 466 H SER 13 H SER 13 12.844 13.331 -9.851 467 HA SER 13 HA SER 13 10.028 13.742 -9.176 468 1HB SER 13 2HB SER 13 11.706 12.915 -11.492 469 2HB SER 13 1HB SER 13 10.020 12.418 -11.530 470 HG SER 13 HG SER 13 9.471 14.619 -11.184 471 H ILE 14 H ILE 14 12.270 11.046 -9.223 472 HA ILE 14 HA ILE 14 10.192 8.974 -9.006 473 HB ILE 14 HB ILE 14 13.206 9.090 -8.757 474 1HG1 ILE 14 2HG1 ILE 14 11.646 7.641 -10.864 475 2HG1 ILE 14 1HG1 ILE 14 11.818 9.390 -10.981 476 1HG2 ILE 14 3HG2 ILE 14 12.189 7.243 -7.382 477 2HG2 ILE 14 2HG2 ILE 14 11.459 6.612 -8.858 478 3HG2 ILE 14 1HG2 ILE 14 13.214 6.667 -8.696 479 1HD1 ILE 14 2HD1 ILE 14 14.317 9.051 -10.671 480 2HD1 ILE 14 1HD1 ILE 14 14.026 7.326 -10.900 481 3HD1 ILE 14 3HD1 ILE 14 13.658 8.462 -12.198 482 H VAL 15 H VAL 15 12.391 10.745 -6.919 483 HA VAL 15 HA VAL 15 11.662 9.184 -4.526 484 HB VAL 15 HB VAL 15 13.083 11.791 -4.287 485 1HG1 VAL 15 2HG1 VAL 15 13.448 8.947 -3.341 486 2HG1 VAL 15 1HG1 VAL 15 14.703 10.162 -3.101 487 3HG1 VAL 15 3HG1 VAL 15 13.109 10.386 -2.378 488 1HG2 VAL 15 3HG2 VAL 15 14.013 9.585 -6.111 489 2HG2 VAL 15 2HG2 VAL 15 14.170 11.330 -6.309 490 3HG2 VAL 15 1HG2 VAL 15 15.207 10.476 -5.165 491 H LYS 16 H LYS 16 10.657 11.958 -6.282 492 HA LYS 16 HA LYS 16 9.233 13.312 -4.117 493 1HB LYS 16 2HB LYS 16 9.885 14.646 -5.974 494 2HB LYS 16 1HB LYS 16 9.350 13.433 -7.138 495 1HG LYS 16 2HG LYS 16 7.301 14.576 -5.297 496 2HG LYS 16 1HG LYS 16 7.888 15.604 -6.606 497 1HD LYS 16 2HD LYS 16 7.272 12.836 -7.417 498 2HD LYS 16 1HD LYS 16 5.873 13.764 -6.875 499 1HE LYS 16 2HE LYS 16 7.826 14.999 -8.814 500 2HE LYS 16 1HE LYS 16 6.551 13.912 -9.398 501 1HZ LYS 16 1HZ LYS 16 5.060 15.305 -7.837 502 2HZ LYS 16 3HZ LYS 16 6.284 16.472 -7.962 503 3HZ LYS 16 2HZ LYS 16 5.474 15.940 -9.358 504 H PHE 17 H PHE 17 8.534 11.010 -6.702 505 HA PHE 17 HA PHE 17 5.686 10.808 -6.196 506 1HB PHE 17 2HB PHE 17 6.308 10.074 -8.320 507 2HB PHE 17 1HB PHE 17 7.839 9.414 -7.750 508 HD1 PHE 17 HD2 PHE 17 7.764 7.297 -6.290 509 HD2 PHE 17 HD1 PHE 17 4.444 8.664 -8.644 510 HE1 PHE 17 HE2 PHE 17 6.759 5.035 -6.181 511 HE2 PHE 17 HE1 PHE 17 3.438 6.402 -8.538 512 HZ PHE 17 HZ PHE 17 4.595 4.584 -7.307 513 H GLN 18 H GLN 18 8.624 9.288 -4.992 514 HA GLN 18 HA GLN 18 7.512 7.028 -3.657 515 1HB GLN 18 2HB GLN 18 9.928 8.778 -3.418 516 2HB GLN 18 1HB GLN 18 9.607 7.633 -2.116 517 1HG GLN 18 2HG GLN 18 9.365 5.849 -3.919 518 2HG GLN 18 1HG GLN 18 10.031 7.029 -5.047 519 1HE2 GLN 18 2HE2 GLN 18 12.973 6.980 -2.472 520 2HE2 GLN 18 1HE2 GLN 18 11.653 8.046 -2.500 521 H THR 19 H THR 19 8.073 10.356 -2.498 522 HA THR 19 HA THR 19 7.158 10.038 0.167 523 HB THR 19 HB THR 19 8.189 12.034 -1.292 524 HG1 THR 19 HG1 THR 19 8.213 12.736 0.666 525 1HG2 THR 19 1HG2 THR 19 5.929 12.220 -2.513 526 2HG2 THR 19 3HG2 THR 19 5.332 12.957 -1.027 527 3HG2 THR 19 2HG2 THR 19 6.652 13.715 -1.920 528 H LYS 20 H LYS 20 5.374 10.461 -2.852 529 HA LYS 20 HA LYS 20 2.765 10.877 -1.670 530 1HB LYS 20 2HB LYS 20 3.865 10.009 -4.345 531 2HB LYS 20 1HB LYS 20 2.126 9.969 -4.051 532 1HG LYS 20 2HG LYS 20 3.018 12.462 -3.069 533 2HG LYS 20 1HG LYS 20 3.806 12.246 -4.631 534 1HD LYS 20 2HD LYS 20 1.136 11.358 -4.960 535 2HD LYS 20 1HD LYS 20 1.049 12.885 -4.081 536 1HE LYS 20 2HE LYS 20 2.770 13.735 -5.864 537 2HE LYS 20 1HE LYS 20 2.197 12.350 -6.817 538 1HZ LYS 20 1HZ LYS 20 0.354 14.257 -5.486 539 2HZ LYS 20 3HZ LYS 20 0.877 14.466 -7.086 540 3HZ LYS 20 2HZ LYS 20 -0.024 13.090 -6.661 541 H VAL 21 H VAL 21 4.657 8.060 -2.606 542 HA VAL 21 HA VAL 21 2.529 6.122 -2.104 543 HB VAL 21 HB VAL 21 5.438 6.198 -2.810 544 1HG1 VAL 21 2HG1 VAL 21 3.998 3.847 -1.593 545 2HG1 VAL 21 1HG1 VAL 21 5.323 3.612 -2.733 546 3HG1 VAL 21 3HG1 VAL 21 5.605 4.466 -1.215 547 1HG2 VAL 21 2HG2 VAL 21 3.673 6.256 -4.540 548 2HG2 VAL 21 1HG2 VAL 21 4.635 4.784 -4.667 549 3HG2 VAL 21 3HG2 VAL 21 3.031 4.731 -3.932 550 H GLU 22 H GLU 22 4.794 7.895 -0.227 551 HA GLU 22 HA GLU 22 5.082 6.022 1.985 552 1HB GLU 22 2HB GLU 22 5.740 8.855 1.295 553 2HB GLU 22 1HB GLU 22 5.720 8.434 3.003 554 1HG GLU 22 2HG GLU 22 7.117 6.482 1.287 555 2HG GLU 22 1HG GLU 22 7.875 8.074 1.353 556 H GLU 23 H GLU 23 3.164 8.989 1.417 557 HA GLU 23 HA GLU 23 1.711 8.769 3.931 558 1HB GLU 23 2HB GLU 23 0.368 10.602 2.879 559 2HB GLU 23 1HB GLU 23 2.104 10.903 2.783 560 1HG GLU 23 2HG GLU 23 2.198 10.346 0.495 561 2HG GLU 23 1HG GLU 23 0.653 9.494 0.550 562 H LEU 24 H LEU 24 1.254 7.620 0.639 563 HA LEU 24 HA LEU 24 -1.549 6.937 0.911 564 1HB LEU 24 2HB LEU 24 0.119 7.223 -1.148 565 2HB LEU 24 1HB LEU 24 0.341 5.489 -0.909 566 HG LEU 24 HG LEU 24 -1.467 5.823 -2.496 567 1HD1 LEU 24 3HD1 LEU 24 -1.613 4.129 -0.508 568 2HD1 LEU 24 2HD1 LEU 24 -2.872 5.208 0.093 569 3HD1 LEU 24 1HD1 LEU 24 -3.055 4.429 -1.479 570 1HD2 LEU 24 1HD2 LEU 24 -1.931 8.163 -1.191 571 2HD2 LEU 24 3HD2 LEU 24 -3.100 7.410 -2.274 572 3HD2 LEU 24 2HD2 LEU 24 -3.232 7.173 -0.531 573 H ILE 25 H ILE 25 1.497 5.090 1.199 574 HA ILE 25 HA ILE 25 0.337 2.553 1.777 575 HB ILE 25 HB ILE 25 2.927 3.910 1.848 576 1HG1 ILE 25 2HG1 ILE 25 3.686 1.836 0.937 577 2HG1 ILE 25 1HG1 ILE 25 2.328 0.952 1.633 578 1HG2 ILE 25 3HG2 ILE 25 2.350 1.842 3.988 579 2HG2 ILE 25 2HG2 ILE 25 3.977 2.227 3.431 580 3HG2 ILE 25 1HG2 ILE 25 2.998 3.466 4.214 581 1HD1 ILE 25 3HD1 ILE 25 1.358 3.119 -0.012 582 2HD1 ILE 25 2HD1 ILE 25 2.467 2.104 -0.935 583 3HD1 ILE 25 1HD1 ILE 25 1.052 1.388 -0.164 584 H ASN 26 H ASN 26 1.174 5.303 3.882 585 HA ASN 26 HA ASN 26 0.643 4.014 6.388 586 1HB ASN 26 2HB ASN 26 1.704 6.341 5.635 587 2HB ASN 26 1HB ASN 26 0.057 6.913 5.913 588 1HD2 ASN 26 2HD2 ASN 26 0.170 6.260 9.454 589 2HD2 ASN 26 1HD2 ASN 26 -0.891 6.314 8.130 590 H THR 27 H THR 27 -1.413 5.937 4.220 591 HA THR 27 HA THR 27 -3.791 5.935 5.788 592 HB THR 27 HB THR 27 -3.171 6.038 2.828 593 HG1 THR 27 HG1 THR 27 -3.678 7.851 4.903 594 1HG2 THR 27 3HG2 THR 27 -5.794 5.922 4.234 595 2HG2 THR 27 2HG2 THR 27 -5.633 7.097 2.928 596 3HG2 THR 27 1HG2 THR 27 -5.363 5.383 2.611 597 H LEU 28 H LEU 28 -2.422 3.514 3.589 598 HA LEU 28 HA LEU 28 -4.782 1.828 3.483 599 1HB LEU 28 2HB LEU 28 -1.826 1.504 2.918 600 2HB LEU 28 1HB LEU 28 -2.946 0.155 2.738 601 HG LEU 28 HG LEU 28 -3.784 2.703 1.473 602 1HD1 LEU 28 2HD1 LEU 28 -1.423 1.068 0.520 603 2HD1 LEU 28 1HD1 LEU 28 -2.339 2.139 -0.540 604 3HD1 LEU 28 3HD1 LEU 28 -1.470 2.801 0.844 605 1HD2 LEU 28 2HD2 LEU 28 -4.192 -0.178 1.238 606 2HD2 LEU 28 1HD2 LEU 28 -5.216 1.144 0.678 607 3HD2 LEU 28 3HD2 LEU 28 -3.885 0.574 -0.327 608 H GLN 29 H GLN 29 -1.785 1.806 5.412 609 HA GLN 29 HA GLN 29 -2.471 -0.533 6.971 610 1HB GLN 29 2HB GLN 29 -0.224 0.784 6.482 611 2HB GLN 29 1HB GLN 29 -0.693 1.700 7.914 612 1HG GLN 29 2HG GLN 29 -1.096 -0.726 8.921 613 2HG GLN 29 1HG GLN 29 0.070 -1.185 7.680 614 1HE2 GLN 29 2HE2 GLN 29 2.803 0.508 9.247 615 2HE2 GLN 29 1HE2 GLN 29 2.239 -0.127 7.776 616 H GLN 30 H GLN 30 -3.578 2.684 6.919 617 HA GLN 30 HA GLN 30 -4.270 2.898 9.765 618 1HB GLN 30 2HB GLN 30 -4.723 4.478 7.227 619 2HB GLN 30 1HB GLN 30 -5.508 4.945 8.734 620 1HG GLN 30 2HG GLN 30 -2.739 4.403 9.255 621 2HG GLN 30 1HG GLN 30 -2.858 5.532 7.906 622 1HE2 GLN 30 2HE2 GLN 30 -4.302 8.150 9.878 623 2HE2 GLN 30 1HE2 GLN 30 -4.135 7.560 8.296 624 H LYS 31 H LYS 31 -6.063 2.638 6.685 625 HA LYS 31 HA LYS 31 -8.633 2.163 7.938 626 1HB LYS 31 2HB LYS 31 -7.453 2.460 5.323 627 2HB LYS 31 1HB LYS 31 -8.503 1.043 5.324 628 1HG LYS 31 2HG LYS 31 -10.395 2.309 6.005 629 2HG LYS 31 1HG LYS 31 -9.398 3.688 6.473 630 1HD LYS 31 2HD LYS 31 -8.674 3.593 3.918 631 2HD LYS 31 1HD LYS 31 -10.236 2.791 3.743 632 1HE LYS 31 2HE LYS 31 -10.763 4.977 5.422 633 2HE LYS 31 1HE LYS 31 -9.682 5.614 4.169 634 1HZ LYS 31 3HZ LYS 31 -11.061 4.569 2.487 635 2HZ LYS 31 2HZ LYS 31 -12.102 3.958 3.682 636 3HZ LYS 31 1HZ LYS 31 -11.991 5.633 3.425 637 H LEU 32 H LEU 32 -5.849 0.240 7.329 638 HA LEU 32 HA LEU 32 -7.210 -2.358 7.292 639 1HB LEU 32 2HB LEU 32 -4.968 -1.559 6.219 640 2HB LEU 32 1HB LEU 32 -4.290 -1.823 7.824 641 HG LEU 32 HG LEU 32 -4.969 -4.150 7.788 642 1HD1 LEU 32 1HD1 LEU 32 -6.404 -3.294 5.278 643 2HD1 LEU 32 3HD1 LEU 32 -5.976 -4.983 5.544 644 3HD1 LEU 32 2HD1 LEU 32 -7.051 -4.159 6.673 645 1HD2 LEU 32 2HD2 LEU 32 -3.331 -2.960 5.649 646 2HD2 LEU 32 1HD2 LEU 32 -2.955 -4.293 6.741 647 3HD2 LEU 32 3HD2 LEU 32 -3.904 -4.588 5.284 648 H GLU 33 H GLU 33 -5.142 -0.539 9.596 649 HA GLU 33 HA GLU 33 -5.359 -2.493 11.716 650 1HB GLU 33 2HB GLU 33 -3.538 -0.902 11.635 651 2HB GLU 33 1HB GLU 33 -4.658 0.458 11.589 652 1HG GLU 33 2HG GLU 33 -5.426 -0.045 13.849 653 2HG GLU 33 1HG GLU 33 -4.412 -1.489 13.899 654 H ALA 34 H ALA 34 -7.453 -0.045 10.501 655 HA ALA 34 HA ALA 34 -9.077 0.119 12.972 656 1HB ALA 34 3HB ALA 34 -8.598 2.106 11.540 657 2HB ALA 34 2HB ALA 34 -9.402 1.305 10.188 658 3HB ALA 34 1HB ALA 34 -10.328 1.769 11.617 659 H VAL 35 H VAL 35 -9.024 -1.311 9.770 660 HA VAL 35 HA VAL 35 -11.734 -2.276 9.683 661 HB VAL 35 HB VAL 35 -9.138 -2.606 8.291 662 1HG1 VAL 35 3HG1 VAL 35 -9.803 -4.988 8.852 663 2HG1 VAL 35 2HG1 VAL 35 -11.255 -4.724 7.887 664 3HG1 VAL 35 1HG1 VAL 35 -9.665 -4.630 7.133 665 1HG2 VAL 35 3HG2 VAL 35 -10.974 -1.113 7.536 666 2HG2 VAL 35 2HG2 VAL 35 -10.561 -2.323 6.322 667 3HG2 VAL 35 1HG2 VAL 35 -12.004 -2.528 7.314 668 H ALA 36 H ALA 36 -8.671 -3.565 10.942 669 HA ALA 36 HA ALA 36 -9.672 -6.182 11.654 670 1HB ALA 36 3HB ALA 36 -7.281 -5.531 11.359 671 2HB ALA 36 2HB ALA 36 -7.405 -4.506 12.788 672 3HB ALA 36 1HB ALA 36 -7.568 -6.255 12.942 673 H LYS 37 H LYS 37 -9.684 -3.013 13.179 674 HA LYS 37 HA LYS 37 -10.459 -3.982 15.827 675 1HB LYS 37 2HB LYS 37 -9.730 -1.536 14.492 676 2HB LYS 37 1HB LYS 37 -11.234 -1.274 15.374 677 1HG LYS 37 2HG LYS 37 -10.235 -1.518 17.407 678 2HG LYS 37 1HG LYS 37 -9.176 -2.809 16.839 679 1HD LYS 37 2HD LYS 37 -7.614 -1.295 15.927 680 2HD LYS 37 1HD LYS 37 -8.770 0.038 15.940 681 1HE LYS 37 2HE LYS 37 -8.256 0.586 18.088 682 2HE LYS 37 1HE LYS 37 -8.313 -1.110 18.609 683 1HZ LYS 37 2HZ LYS 37 -6.176 -1.476 17.545 684 2HZ LYS 37 1HZ LYS 37 -6.108 0.155 17.072 685 3HZ LYS 37 3HZ LYS 37 -6.051 -0.251 18.717 686 H ARG 38 H ARG 38 -12.081 -3.044 12.871 687 HA ARG 38 HA ARG 38 -14.744 -2.827 14.040 688 1HB ARG 38 2HB ARG 38 -13.815 -3.273 11.183 689 2HB ARG 38 1HB ARG 38 -15.380 -2.640 11.687 690 1HG ARG 38 2HG ARG 38 -13.168 -1.145 12.866 691 2HG ARG 38 1HG ARG 38 -13.122 -1.123 11.101 692 1HD ARG 38 2HD ARG 38 -15.790 -0.685 12.367 693 2HD ARG 38 1HD ARG 38 -14.612 0.635 12.488 694 HE ARG 38 HE ARG 38 -14.801 -0.561 9.817 695 1HH1 ARG 38 1HH2 ARG 38 -14.180 2.337 10.892 696 2HH1 ARG 38 2HH2 ARG 38 -15.497 3.194 10.164 697 1HH2 ARG 38 2HH1 ARG 38 -17.264 0.320 9.352 698 2HH2 ARG 38 1HH1 ARG 38 -17.241 2.052 9.287 699 H ILE 39 H ILE 39 -12.794 -5.308 12.462 700 HA ILE 39 HA ILE 39 -14.833 -7.288 12.094 701 HB ILE 39 HB ILE 39 -11.835 -7.192 12.346 702 1HG1 ILE 39 2HG1 ILE 39 -13.221 -6.600 10.247 703 2HG1 ILE 39 1HG1 ILE 39 -11.879 -7.720 10.032 704 1HG2 ILE 39 3HG2 ILE 39 -12.626 -9.299 13.466 705 2HG2 ILE 39 2HG2 ILE 39 -13.409 -9.753 11.954 706 3HG2 ILE 39 1HG2 ILE 39 -11.655 -9.586 12.022 707 1HD1 ILE 39 3HD1 ILE 39 -14.256 -9.183 10.763 708 2HD1 ILE 39 2HD1 ILE 39 -14.591 -8.152 9.372 709 3HD1 ILE 39 1HD1 ILE 39 -13.276 -9.323 9.304 710 H GLU 40 H GLU 40 -12.549 -6.656 14.767 711 HA GLU 40 HA GLU 40 -13.511 -8.786 16.471 712 1HB GLU 40 2HB GLU 40 -12.275 -7.495 18.203 713 2HB GLU 40 1HB GLU 40 -11.325 -7.653 16.728 714 1HG GLU 40 2HG GLU 40 -11.851 -5.410 16.049 715 2HG GLU 40 1HG GLU 40 -13.063 -5.249 17.320 716 H ALA 41 H ALA 41 -14.425 -5.444 15.869 717 HA ALA 41 HA ALA 41 -16.193 -4.954 18.031 718 1HB ALA 41 2HB ALA 41 -15.355 -3.622 15.833 719 2HB ALA 41 1HB ALA 41 -16.948 -4.119 15.264 720 3HB ALA 41 3HB ALA 41 -16.799 -3.138 16.722 721 H LEU 42 H LEU 42 -16.597 -6.741 15.011 722 HA LEU 42 HA LEU 42 -19.424 -7.334 15.441 723 1HB LEU 42 2HB LEU 42 -17.209 -8.195 13.579 724 2HB LEU 42 1HB LEU 42 -18.724 -9.084 13.589 725 HG LEU 42 HG LEU 42 -19.204 -7.550 11.940 726 1HD1 LEU 42 1HD1 LEU 42 -20.737 -7.160 13.950 727 2HD1 LEU 42 3HD1 LEU 42 -19.775 -5.718 14.271 728 3HD1 LEU 42 2HD1 LEU 42 -20.666 -5.864 12.756 729 1HD2 LEU 42 1HD2 LEU 42 -16.869 -6.464 12.455 730 2HD2 LEU 42 3HD2 LEU 42 -18.089 -5.540 11.578 731 3HD2 LEU 42 2HD2 LEU 42 -17.834 -5.253 13.299 732 H GLU 43 H GLU 43 -16.315 -8.907 16.028 733 HA GLU 43 HA GLU 43 -17.346 -11.482 16.806 734 1HB GLU 43 2HB GLU 43 -14.819 -9.984 17.576 735 2HB GLU 43 1HB GLU 43 -15.058 -11.726 17.708 736 1HG GLU 43 2HG GLU 43 -15.796 -11.199 15.100 737 2HG GLU 43 1HG GLU 43 -14.432 -10.111 15.352 738 H ASN 44 H ASN 44 -17.319 -8.420 18.355 739 HA ASN 44 HA ASN 44 -17.336 -9.333 21.118 740 1HB ASN 44 2HB ASN 44 -17.998 -6.811 19.595 741 2HB ASN 44 1HB ASN 44 -18.337 -6.921 21.322 742 1HD2 ASN 44 2HD2 ASN 44 -14.900 -5.555 21.019 743 2HD2 ASN 44 1HD2 ASN 44 -16.467 -5.034 20.625 744 H LYS 45 H LYS 45 -19.668 -8.990 18.554 745 HA LYS 45 HA LYS 45 -21.918 -9.516 20.460 746 1HB LYS 45 2HB LYS 45 -21.816 -8.415 17.628 747 2HB LYS 45 1HB LYS 45 -23.293 -8.627 18.570 748 1HG LYS 45 2HG LYS 45 -22.693 -6.351 18.893 749 2HG LYS 45 1HG LYS 45 -22.160 -7.170 20.361 750 1HD LYS 45 2HD LYS 45 -19.940 -6.900 19.872 751 2HD LYS 45 1HD LYS 45 -20.194 -7.084 18.137 752 1HE LYS 45 2HE LYS 45 -21.368 -4.643 19.390 753 2HE LYS 45 1HE LYS 45 -19.601 -4.696 19.239 754 1HZ LYS 45 2HZ LYS 45 -20.323 -5.709 16.893 755 2HZ LYS 45 1HZ LYS 45 -21.632 -4.660 17.159 756 3HZ LYS 45 3HZ LYS 45 -20.050 -4.051 17.137 757 H ILE 46 H ILE 46 -19.935 -10.924 18.045 758 HA ILE 46 HA ILE 46 -21.973 -12.979 17.333 759 HB ILE 46 HB ILE 46 -19.178 -12.306 16.354 760 1HG1 ILE 46 2HG1 ILE 46 -20.410 -10.734 15.231 761 2HG1 ILE 46 1HG1 ILE 46 -20.814 -12.092 14.191 762 1HG2 ILE 46 2HG2 ILE 46 -20.809 -14.708 16.029 763 2HG2 ILE 46 1HG2 ILE 46 -20.354 -13.983 14.488 764 3HG2 ILE 46 3HG2 ILE 46 -19.108 -14.443 15.647 765 1HD1 ILE 46 3HD1 ILE 46 -22.461 -11.147 16.558 766 2HD1 ILE 46 2HD1 ILE 46 -22.841 -10.849 14.862 767 3HD1 ILE 46 1HD1 ILE 46 -22.868 -12.495 15.497 768 H ILE 47 HN ILE 47 -19.230 -12.437 19.372 769 HA ILE 47 HA ILE 47 -18.190 -15.073 19.666 770 HB ILE 47 HB ILE 47 -17.099 -13.079 20.529 771 1HG1 ILE 47 2HG1 ILE 47 -17.801 -14.234 23.144 772 2HG1 ILE 47 1HG1 ILE 47 -17.362 -15.437 21.930 773 1HG2 ILE 47 1HG2 ILE 47 -19.722 -12.435 21.380 774 2HG2 ILE 47 3HG2 ILE 47 -18.741 -12.559 22.841 775 3HG2 ILE 47 2HG2 ILE 47 -18.268 -11.452 21.553 776 1HD1 ILE 47 1HD1 ILE 47 -15.288 -14.147 21.445 777 2HD1 ILE 47 3HD1 ILE 47 -15.713 -13.022 22.735 778 3HD1 ILE 47 2HD1 ILE 47 -15.353 -14.705 23.116 779 1H GLY 1 2H GLY 1 30.837 10.675 13.100 780 2H GLY 1 1H GLY 1 30.318 12.027 13.989 781 3H GLY 1 3H GLY 1 29.938 10.465 14.525 782 1HA GLY 1 2HA GLY 1 27.963 11.009 13.564 783 2HA GLY 1 1HA GLY 1 28.745 12.036 12.363 784 H SER 2 H SER 2 27.435 8.950 12.939 785 HA SER 2 HA SER 2 28.941 7.464 10.940 786 1HB SER 2 2HB SER 2 26.529 7.131 12.663 787 2HB SER 2 1HB SER 2 26.654 6.081 11.252 788 HG SER 2 HG SER 2 27.706 5.099 12.957 789 H HIS 3 H HIS 3 28.847 8.508 8.919 790 HA HIS 3 HA HIS 3 26.219 8.412 7.543 791 1HB HIS 3 2HB HIS 3 26.808 10.683 8.758 792 2HB HIS 3 1HB HIS 3 27.867 10.919 7.369 793 HD1 HIS 3 HD1 HIS 3 24.212 10.135 8.115 794 HD2 HIS 3 HD2 HIS 3 26.549 11.810 5.097 795 HE1 HIS 3 HE1 HIS 3 22.602 11.035 6.379 796 H MET 4 H MET 4 26.565 8.897 5.141 797 HA MET 4 HA MET 4 29.167 7.716 4.277 798 1HB MET 4 2HB MET 4 26.348 7.639 3.463 799 2HB MET 4 1HB MET 4 27.452 7.852 2.103 800 1HG MET 4 2HG MET 4 28.685 5.870 2.695 801 2HG MET 4 1HG MET 4 27.823 5.725 4.226 802 1HE MET 4 1HE MET 4 27.950 3.545 3.506 803 2HE MET 4 3HE MET 4 26.283 2.953 3.537 804 3HE MET 4 2HE MET 4 27.248 2.802 2.071 805 H GLU 5 H GLU 5 29.921 8.619 2.059 806 HA GLU 5 HA GLU 5 29.625 11.606 2.067 807 1HB GLU 5 2HB GLU 5 31.885 9.790 2.193 808 2HB GLU 5 1HB GLU 5 32.022 10.851 0.791 809 1HG GLU 5 2HG GLU 5 31.769 12.821 2.185 810 2HG GLU 5 1HG GLU 5 31.438 11.823 3.601 811 H GLU 6 H GLU 6 28.181 9.366 0.506 812 HA GLU 6 HA GLU 6 28.543 10.628 -2.172 813 1HB GLU 6 2HB GLU 6 28.686 8.386 -3.189 814 2HB GLU 6 1HB GLU 6 29.984 8.610 -2.015 815 1HG GLU 6 2HG GLU 6 28.245 7.566 -0.334 816 2HG GLU 6 1HG GLU 6 27.512 6.922 -1.803 817 H ASP 7 H ASP 7 26.509 11.312 -2.695 818 HA ASP 7 HA ASP 7 24.275 9.573 -2.938 819 1HB ASP 7 2HB ASP 7 24.390 9.555 -0.499 820 2HB ASP 7 1HB ASP 7 24.408 11.318 -0.463 821 HA PRO 8 HA PRO 8 24.042 13.849 -4.754 822 1HB PRO 8 2HB PRO 8 24.310 13.125 -7.378 823 2HB PRO 8 1HB PRO 8 25.693 13.502 -6.332 824 1HG PRO 8 2HG PRO 8 24.676 10.876 -7.244 825 2HG PRO 8 1HG PRO 8 26.329 11.388 -6.886 826 1HD PRO 8 2HD PRO 8 24.719 9.861 -5.216 827 2HD PRO 8 1HD PRO 8 26.170 10.755 -4.716 828 H CYS 9 H CYS 9 22.882 11.094 -6.752 829 HA CYS 9 HA CYS 9 20.153 12.327 -6.679 830 1HB CYS 9 2HB CYS 9 21.791 10.802 -8.663 831 2HB CYS 9 1HB CYS 9 20.037 10.591 -8.718 832 H GLU 10 H GLU 10 21.343 10.492 -4.602 833 HA GLU 10 HA GLU 10 20.789 8.484 -3.463 834 1HB GLU 10 2HB GLU 10 18.237 9.682 -4.551 835 2HB GLU 10 1HB GLU 10 18.208 8.269 -3.494 836 1HG GLU 10 2HG GLU 10 18.735 9.487 -1.655 837 2HG GLU 10 1HG GLU 10 19.947 10.431 -2.522 838 H CYS 11 H CYS 11 21.770 7.947 -6.106 839 HA CYS 11 HA CYS 11 20.250 6.418 -7.844 840 1HB CYS 11 2HB CYS 11 23.072 6.421 -6.878 841 2HB CYS 11 1HB CYS 11 22.561 5.046 -7.864 842 H LYS 12 H LYS 12 21.391 5.525 -4.635 843 HA LYS 12 HA LYS 12 20.004 2.878 -4.943 844 1HB LYS 12 2HB LYS 12 22.285 3.597 -3.078 845 2HB LYS 12 1HB LYS 12 21.694 1.982 -3.475 846 1HG LYS 12 2HG LYS 12 23.085 3.919 -5.342 847 2HG LYS 12 1HG LYS 12 23.705 2.372 -4.766 848 1HD LYS 12 2HD LYS 12 21.204 1.764 -5.874 849 2HD LYS 12 1HD LYS 12 21.925 2.916 -7.000 850 1HE LYS 12 2HE LYS 12 24.052 1.491 -6.891 851 2HE LYS 12 1HE LYS 12 23.061 0.261 -6.083 852 1HZ LYS 12 2HZ LYS 12 21.435 0.910 -8.051 853 2HZ LYS 12 1HZ LYS 12 22.908 1.255 -8.824 854 3HZ LYS 12 3HZ LYS 12 22.613 -0.303 -8.222 855 H SER 13 H SER 13 19.950 5.886 -3.394 856 HA SER 13 HA SER 13 18.868 5.006 -0.819 857 1HB SER 13 2HB SER 13 19.490 7.529 -2.276 858 2HB SER 13 1HB SER 13 18.311 7.639 -0.974 859 HG SER 13 HG SER 13 19.854 6.684 0.399 860 H ILE 14 H ILE 14 17.605 5.994 -3.944 861 HA ILE 14 HA ILE 14 14.828 6.294 -3.043 862 HB ILE 14 HB ILE 14 16.262 6.141 -5.705 863 1HG1 ILE 14 2HG1 ILE 14 14.825 8.526 -4.595 864 2HG1 ILE 14 1HG1 ILE 14 16.424 8.126 -3.976 865 1HG2 ILE 14 3HG2 ILE 14 13.928 5.341 -5.935 866 2HG2 ILE 14 2HG2 ILE 14 13.353 6.817 -5.161 867 3HG2 ILE 14 1HG2 ILE 14 14.156 6.897 -6.728 868 1HD1 ILE 14 2HD1 ILE 14 17.218 8.034 -6.384 869 2HD1 ILE 14 1HD1 ILE 14 15.660 8.725 -6.841 870 3HD1 ILE 14 3HD1 ILE 14 16.762 9.638 -5.809 871 H VAL 15 H VAL 15 16.852 3.869 -4.572 872 HA VAL 15 HA VAL 15 14.609 2.008 -5.022 873 HB VAL 15 HB VAL 15 17.426 1.060 -5.168 874 1HG1 VAL 15 2HG1 VAL 15 14.938 0.998 -6.864 875 2HG1 VAL 15 1HG1 VAL 15 16.496 0.527 -7.544 876 3HG1 VAL 15 3HG1 VAL 15 15.834 -0.352 -6.166 877 1HG2 VAL 15 3HG2 VAL 15 16.459 3.500 -6.638 878 2HG2 VAL 15 2HG2 VAL 15 18.056 3.167 -5.967 879 3HG2 VAL 15 1HG2 VAL 15 17.544 2.377 -7.458 880 H LYS 16 H LYS 16 16.910 2.846 -2.615 881 HA LYS 16 HA LYS 16 16.880 0.319 -1.145 882 1HB LYS 16 2HB LYS 16 18.770 1.731 -0.834 883 2HB LYS 16 1HB LYS 16 17.767 3.171 -0.657 884 1HG LYS 16 2HG LYS 16 17.354 0.970 1.308 885 2HG LYS 16 1HG LYS 16 18.828 1.927 1.462 886 1HD LYS 16 2HD LYS 16 16.366 3.493 0.990 887 2HD LYS 16 1HD LYS 16 16.429 2.653 2.540 888 1HE LYS 16 2HE LYS 16 18.842 4.198 1.622 889 2HE LYS 16 1HE LYS 16 17.475 5.062 2.354 890 1HZ LYS 16 1HZ LYS 16 17.575 3.140 4.063 891 2HZ LYS 16 3HZ LYS 16 19.171 2.955 3.520 892 3HZ LYS 16 2HZ LYS 16 18.672 4.430 4.203 893 H PHE 17 H PHE 17 15.214 3.434 -1.076 894 HA PHE 17 HA PHE 17 13.592 2.885 1.268 895 1HB PHE 17 2HB PHE 17 13.746 5.155 0.763 896 2HB PHE 17 1HB PHE 17 13.768 4.866 -0.975 897 HD1 PHE 17 HD2 PHE 17 11.610 4.133 -2.116 898 HD2 PHE 17 HD1 PHE 17 11.721 5.710 1.879 899 HE1 PHE 17 HE2 PHE 17 9.185 4.622 -2.244 900 HE2 PHE 17 HE1 PHE 17 9.297 6.198 1.748 901 HZ PHE 17 HZ PHE 17 8.025 5.656 -0.311 902 H GLN 18 H GLN 18 13.375 2.303 -2.203 903 HA GLN 18 HA GLN 18 10.617 1.630 -2.426 904 1HB GLN 18 2HB GLN 18 13.178 1.003 -3.837 905 2HB GLN 18 1HB GLN 18 11.748 0.068 -4.276 906 1HG GLN 18 2HG GLN 18 10.532 2.303 -4.519 907 2HG GLN 18 1HG GLN 18 12.119 3.067 -4.420 908 1HE2 GLN 18 2HE2 GLN 18 12.704 0.675 -7.495 909 2HE2 GLN 18 1HE2 GLN 18 12.958 0.278 -5.866 910 H THR 19 H THR 19 13.429 -0.454 -1.709 911 HA THR 19 HA THR 19 12.090 -2.935 -1.473 912 HB THR 19 HB THR 19 14.621 -2.051 -1.239 913 HG1 THR 19 HG1 THR 19 14.777 -4.118 -1.348 914 1HG2 THR 19 1HG2 THR 19 14.080 -1.067 1.040 915 2HG2 THR 19 3HG2 THR 19 13.909 -2.722 1.624 916 3HG2 THR 19 2HG2 THR 19 15.461 -2.161 1.003 917 H LYS 20 H LYS 20 12.361 -0.255 0.816 918 HA LYS 20 HA LYS 20 11.208 -1.607 3.093 919 1HB LYS 20 2HB LYS 20 11.678 1.220 2.183 920 2HB LYS 20 1HB LYS 20 10.693 0.935 3.617 921 1HG LYS 20 2HG LYS 20 12.903 -0.741 3.957 922 2HG LYS 20 1HG LYS 20 13.582 0.750 3.302 923 1HD LYS 20 2HD LYS 20 11.713 1.649 5.153 924 2HD LYS 20 1HD LYS 20 12.432 0.245 5.941 925 1HE LYS 20 2HE LYS 20 14.714 1.278 5.180 926 2HE LYS 20 1HE LYS 20 13.781 2.778 5.020 927 1HZ LYS 20 1HZ LYS 20 13.604 1.058 7.424 928 2HZ LYS 20 3HZ LYS 20 14.752 2.299 7.297 929 3HZ LYS 20 2HZ LYS 20 13.094 2.670 7.247 930 H VAL 21 H VAL 21 9.916 0.232 0.380 931 HA VAL 21 HA VAL 21 7.155 0.229 1.317 932 HB VAL 21 HB VAL 21 8.757 0.991 -1.096 933 1HG1 VAL 21 2HG1 VAL 21 5.775 0.530 -1.069 934 2HG1 VAL 21 1HG1 VAL 21 6.535 1.663 -2.188 935 3HG1 VAL 21 3HG1 VAL 21 6.958 -0.049 -2.241 936 1HG2 VAL 21 2HG2 VAL 21 8.370 2.533 0.824 937 2HG2 VAL 21 1HG2 VAL 21 7.706 3.158 -0.687 938 3HG2 VAL 21 3HG2 VAL 21 6.636 2.438 0.517 939 H GLU 22 H GLU 22 9.252 -1.995 -0.266 940 HA GLU 22 HA GLU 22 7.252 -3.521 -1.723 941 1HB GLU 22 2HB GLU 22 10.133 -3.697 -0.947 942 2HB GLU 22 1HB GLU 22 9.342 -5.197 -1.420 943 1HG GLU 22 2HG GLU 22 8.771 -2.903 -3.188 944 2HG GLU 22 1HG GLU 22 10.455 -3.428 -3.185 945 H GLU 23 H GLU 23 9.002 -3.975 1.363 946 HA GLU 23 HA GLU 23 7.527 -6.369 2.101 947 1HB GLU 23 2HB GLU 23 8.686 -5.940 4.288 948 2HB GLU 23 1HB GLU 23 9.784 -5.900 2.909 949 1HG GLU 23 2HG GLU 23 9.927 -3.542 2.938 950 2HG GLU 23 1HG GLU 23 8.483 -3.381 3.939 951 H LEU 24 H LEU 24 7.163 -2.906 2.661 952 HA LEU 24 HA LEU 24 5.176 -3.068 4.749 953 1HB LEU 24 2HB LEU 24 6.711 -1.138 3.717 954 2HB LEU 24 1HB LEU 24 5.268 -0.840 2.749 955 HG LEU 24 HG LEU 24 5.129 0.524 4.748 956 1HD1 LEU 24 3HD1 LEU 24 3.091 -0.795 3.888 957 2HD1 LEU 24 2HD1 LEU 24 3.347 -1.860 5.269 958 3HD1 LEU 24 1HD1 LEU 24 2.989 -0.153 5.527 959 1HD2 LEU 24 1HD2 LEU 24 6.631 -1.393 5.946 960 2HD2 LEU 24 3HD2 LEU 24 5.711 -0.186 6.844 961 3HD2 LEU 24 2HD2 LEU 24 5.041 -1.799 6.594 962 H ILE 25 H ILE 25 4.956 -2.628 1.207 963 HA ILE 25 HA ILE 25 2.126 -2.516 0.997 964 HB ILE 25 HB ILE 25 4.494 -2.892 -0.682 965 1HG1 ILE 25 2HG1 ILE 25 3.330 -1.384 -2.126 966 2HG1 ILE 25 1HG1 ILE 25 1.770 -1.806 -1.420 967 1HG2 ILE 25 3HG2 ILE 25 1.941 -4.325 -1.463 968 2HG2 ILE 25 2HG2 ILE 25 3.175 -3.846 -2.630 969 3HG2 ILE 25 1HG2 ILE 25 3.564 -5.005 -1.359 970 1HD1 ILE 25 3HD1 ILE 25 3.599 -0.912 0.639 971 2HD1 ILE 25 2HD1 ILE 25 3.461 0.301 -0.634 972 3HD1 ILE 25 1HD1 ILE 25 2.017 -0.267 0.203 973 H ASN 26 H ASN 26 4.347 -5.315 1.058 974 HA ASN 26 HA ASN 26 2.381 -7.336 0.556 975 1HB ASN 26 2HB ASN 26 5.044 -7.281 0.756 976 2HB ASN 26 1HB ASN 26 4.689 -7.796 2.406 977 1HD2 ASN 26 2HD2 ASN 26 3.320 -10.965 1.381 978 2HD2 ASN 26 1HD2 ASN 26 3.203 -9.776 2.587 979 H THR 27 H THR 27 3.593 -5.896 3.565 980 HA THR 27 HA THR 27 2.120 -7.484 5.419 981 HB THR 27 HB THR 27 3.211 -4.662 5.397 982 HG1 THR 27 HG1 THR 27 4.000 -7.147 6.497 983 1HG2 THR 27 3HG2 THR 27 1.576 -6.077 7.450 984 2HG2 THR 27 2HG2 THR 27 2.964 -5.149 8.020 985 3HG2 THR 27 1HG2 THR 27 1.691 -4.353 7.096 986 H LEU 28 H LEU 28 1.225 -4.632 3.520 987 HA LEU 28 HA LEU 28 -1.273 -4.125 4.911 988 1HB LEU 28 2HB LEU 28 -0.020 -3.350 2.269 989 2HB LEU 28 1HB LEU 28 -1.652 -2.829 2.690 990 HG LEU 28 HG LEU 28 0.389 -2.429 4.798 991 1HD1 LEU 28 2HD1 LEU 28 0.427 -0.929 2.168 992 2HD1 LEU 28 1HD1 LEU 28 1.149 -0.298 3.649 993 3HD1 LEU 28 3HD1 LEU 28 1.765 -1.787 2.933 994 1HD2 LEU 28 2HD2 LEU 28 -2.142 -1.303 3.842 995 2HD2 LEU 28 1HD2 LEU 28 -1.442 -1.269 5.461 996 3HD2 LEU 28 3HD2 LEU 28 -0.963 -0.062 4.267 997 H GLN 29 H GLN 29 -0.383 -5.831 1.910 998 HA GLN 29 HA GLN 29 -3.077 -6.652 1.251 999 1HB GLN 29 2HB GLN 29 -0.808 -6.481 -0.105 1000 2HB GLN 29 1HB GLN 29 -0.586 -8.136 0.462 1001 1HG GLN 29 2HG GLN 29 -3.099 -8.393 -0.374 1002 2HG GLN 29 1HG GLN 29 -2.648 -7.036 -1.405 1003 1HE2 GLN 29 2HE2 GLN 29 -0.384 -8.953 -3.392 1004 2HE2 GLN 29 1HE2 GLN 29 -0.821 -7.380 -2.927 1005 H GLN 30 H GLN 30 -0.814 -7.595 3.612 1006 HA GLN 30 HA GLN 30 -1.633 -10.403 3.844 1007 1HB GLN 30 2HB GLN 30 0.092 -8.444 5.372 1008 2HB GLN 30 1HB GLN 30 -0.236 -10.053 6.013 1009 1HG GLN 30 2HG GLN 30 0.498 -10.261 3.239 1010 2HG GLN 30 1HG GLN 30 1.722 -9.335 4.103 1011 1HE2 GLN 30 2HE2 GLN 30 2.720 -12.076 6.177 1012 2HE2 GLN 30 1HE2 GLN 30 2.684 -10.381 6.072 1013 H LYS 31 H LYS 31 -1.938 -7.467 5.861 1014 HA LYS 31 HA LYS 31 -3.853 -8.625 7.693 1015 1HB LYS 31 2HB LYS 31 -2.410 -6.172 7.248 1016 2HB LYS 31 1HB LYS 31 -4.107 -5.789 7.542 1017 1HG LYS 31 2HG LYS 31 -4.105 -6.873 9.651 1018 2HG LYS 31 1HG LYS 31 -2.598 -7.723 9.302 1019 1HD LYS 31 2HD LYS 31 -1.657 -5.252 9.062 1020 2HD LYS 31 1HD LYS 31 -3.022 -4.873 10.110 1021 1HE LYS 31 2HE LYS 31 -1.839 -7.191 11.217 1022 2HE LYS 31 1HE LYS 31 -0.500 -6.094 10.824 1023 1HZ LYS 31 3HZ LYS 31 -1.796 -4.284 11.855 1024 2HZ LYS 31 2HZ LYS 31 -2.959 -5.418 12.351 1025 3HZ LYS 31 1HZ LYS 31 -1.377 -5.494 12.965 1026 H LEU 32 H LEU 32 -4.043 -7.401 4.494 1027 HA LEU 32 HA LEU 32 -6.878 -6.647 4.587 1028 1HB LEU 32 2HB LEU 32 -4.914 -5.754 3.120 1029 2HB LEU 32 1HB LEU 32 -5.204 -7.191 2.138 1030 HG LEU 32 HG LEU 32 -7.504 -6.530 1.747 1031 1HD1 LEU 32 1HD1 LEU 32 -6.845 -4.483 3.842 1032 2HD1 LEU 32 3HD1 LEU 32 -8.103 -4.144 2.657 1033 3HD1 LEU 32 2HD1 LEU 32 -8.253 -5.537 3.729 1034 1HD2 LEU 32 2HD2 LEU 32 -5.237 -4.771 1.126 1035 2HD2 LEU 32 1HD2 LEU 32 -6.507 -5.379 0.065 1036 3HD2 LEU 32 3HD2 LEU 32 -6.794 -3.946 1.052 1037 H GLU 33 H GLU 33 -4.931 -9.308 3.160 1038 HA GLU 33 HA GLU 33 -7.227 -10.752 2.153 1039 1HB GLU 33 2HB GLU 33 -5.000 -11.095 1.250 1040 2HB GLU 33 1HB GLU 33 -4.371 -11.525 2.840 1041 1HG GLU 33 2HG GLU 33 -5.811 -13.517 2.889 1042 2HG GLU 33 1HG GLU 33 -6.482 -13.082 1.317 1043 H ALA 34 H ALA 34 -5.816 -10.384 5.269 1044 HA ALA 34 HA ALA 34 -7.038 -12.848 6.365 1045 1HB ALA 34 2HB ALA 34 -5.360 -10.567 7.463 1046 2HB ALA 34 1HB ALA 34 -5.997 -11.855 8.486 1047 3HB ALA 34 3HB ALA 34 -4.857 -12.237 7.196 1048 H VAL 35 H VAL 35 -7.426 -9.359 6.277 1049 HA VAL 35 HA VAL 35 -9.510 -9.080 8.228 1050 HB VAL 35 HB VAL 35 -8.233 -7.578 6.018 1051 1HG1 VAL 35 3HG1 VAL 35 -10.679 -7.442 5.418 1052 2HG1 VAL 35 2HG1 VAL 35 -10.960 -6.690 6.989 1053 3HG1 VAL 35 1HG1 VAL 35 -9.938 -5.889 5.796 1054 1HG2 VAL 35 3HG2 VAL 35 -7.629 -7.300 8.392 1055 2HG2 VAL 35 2HG2 VAL 35 -8.251 -5.793 7.716 1056 3HG2 VAL 35 1HG2 VAL 35 -9.279 -6.786 8.748 1057 H ALA 36 H ALA 36 -9.490 -9.773 4.735 1058 HA ALA 36 HA ALA 36 -12.350 -9.720 4.372 1059 1HB ALA 36 3HB ALA 36 -10.463 -9.595 2.648 1060 2HB ALA 36 2HB ALA 36 -10.288 -11.338 2.849 1061 3HB ALA 36 1HB ALA 36 -11.798 -10.669 2.232 1062 H LYS 37 H LYS 37 -10.038 -12.141 5.467 1063 HA LYS 37 HA LYS 37 -11.883 -14.394 5.276 1064 1HB LYS 37 2HB LYS 37 -9.136 -13.826 5.957 1065 2HB LYS 37 1HB LYS 37 -9.852 -14.831 7.218 1066 1HG LYS 37 2HG LYS 37 -10.130 -16.624 5.823 1067 2HG LYS 37 1HG LYS 37 -10.477 -15.610 4.422 1068 1HD LYS 37 2HD LYS 37 -8.184 -15.182 4.020 1069 2HD LYS 37 1HD LYS 37 -7.715 -15.731 5.629 1070 1HE LYS 37 2HE LYS 37 -7.533 -17.877 4.921 1071 2HE LYS 37 1HE LYS 37 -9.128 -17.817 4.144 1072 1HZ LYS 37 1HZ LYS 37 -6.708 -16.503 3.033 1073 2HZ LYS 37 3HZ LYS 37 -7.227 -18.047 2.560 1074 3HZ LYS 37 2HZ LYS 37 -8.217 -16.695 2.275 1075 H ARG 38 H ARG 38 -11.132 -11.918 7.635 1076 HA ARG 38 HA ARG 38 -12.476 -13.230 9.865 1077 1HB ARG 38 2HB ARG 38 -11.711 -10.330 9.387 1078 2HB ARG 38 1HB ARG 38 -12.028 -11.080 10.950 1079 1HG ARG 38 2HG ARG 38 -10.036 -12.566 9.427 1080 2HG ARG 38 1HG ARG 38 -9.543 -10.893 9.692 1081 1HD ARG 38 2HD ARG 38 -10.710 -12.345 12.031 1082 2HD ARG 38 1HD ARG 38 -9.064 -12.782 11.533 1083 HE ARG 38 HE ARG 38 -9.548 -9.892 11.644 1084 1HH1 ARG 38 1HH2 ARG 38 -7.020 -11.673 12.175 1085 2HH1 ARG 38 2HH2 ARG 38 -6.749 -11.293 13.842 1086 1HH2 ARG 38 2HH1 ARG 38 -9.869 -9.856 14.298 1087 2HH2 ARG 38 1HH1 ARG 38 -8.362 -10.269 15.045 1088 H ILE 39 H ILE 39 -13.290 -10.859 7.373 1089 HA ILE 39 HA ILE 39 -15.849 -10.047 8.368 1090 HB ILE 39 HB ILE 39 -14.470 -10.202 5.695 1091 1HG1 ILE 39 2HG1 ILE 39 -14.061 -8.465 7.604 1092 2HG1 ILE 39 1HG1 ILE 39 -14.217 -7.883 5.949 1093 1HG2 ILE 39 3HG2 ILE 39 -16.948 -10.620 5.383 1094 2HG2 ILE 39 2HG2 ILE 39 -17.240 -9.035 6.096 1095 3HG2 ILE 39 1HG2 ILE 39 -16.341 -9.171 4.585 1096 1HD1 ILE 39 3HD1 ILE 39 -16.820 -8.070 7.221 1097 2HD1 ILE 39 2HD1 ILE 39 -15.726 -7.067 8.171 1098 3HD1 ILE 39 1HD1 ILE 39 -16.039 -6.671 6.481 1099 H GLU 40 H GLU 40 -14.886 -12.650 6.120 1100 HA GLU 40 HA GLU 40 -17.542 -13.701 5.734 1101 1HB GLU 40 2HB GLU 40 -16.290 -15.642 4.850 1102 2HB GLU 40 1HB GLU 40 -15.572 -14.138 4.276 1103 1HG GLU 40 2HG GLU 40 -13.779 -14.279 5.843 1104 2HG GLU 40 1HG GLU 40 -14.579 -15.566 6.745 1105 H ALA 41 H ALA 41 -15.021 -14.144 8.145 1106 HA ALA 41 HA ALA 41 -16.000 -16.476 9.465 1107 1HB ALA 41 2HB ALA 41 -13.869 -14.860 9.734 1108 2HB ALA 41 1HB ALA 41 -14.869 -14.178 11.016 1109 3HB ALA 41 3HB ALA 41 -14.417 -15.882 11.063 1110 H LEU 42 H LEU 42 -16.913 -13.073 9.609 1111 HA LEU 42 HA LEU 42 -18.816 -13.408 11.808 1112 1HB LEU 42 2HB LEU 42 -18.098 -11.278 9.782 1113 2HB LEU 42 1HB LEU 42 -19.523 -11.083 10.791 1114 HG LEU 42 HG LEU 42 -18.009 -10.017 12.142 1115 1HD1 LEU 42 1HD1 LEU 42 -18.761 -12.177 13.293 1116 2HD1 LEU 42 3HD1 LEU 42 -17.156 -12.806 12.923 1117 3HD1 LEU 42 2HD1 LEU 42 -17.330 -11.388 13.956 1118 1HD2 LEU 42 1HD2 LEU 42 -16.203 -10.653 10.336 1119 2HD2 LEU 42 3HD2 LEU 42 -15.698 -10.142 11.946 1120 3HD2 LEU 42 2HD2 LEU 42 -15.722 -11.856 11.533 1121 H GLU 43 H GLU 43 -18.855 -13.369 8.283 1122 HA GLU 43 HA GLU 43 -21.715 -13.378 7.931 1123 1HB GLU 43 2HB GLU 43 -19.440 -14.431 6.220 1124 2HB GLU 43 1HB GLU 43 -21.063 -14.057 5.642 1125 1HG GLU 43 2HG GLU 43 -20.328 -11.766 7.013 1126 2HG GLU 43 1HG GLU 43 -18.836 -12.254 6.210 1127 H ASN 44 H ASN 44 -19.468 -15.772 8.945 1128 HA ASN 44 HA ASN 44 -20.941 -18.129 8.086 1129 1HB ASN 44 2HB ASN 44 -18.714 -17.479 10.023 1130 2HB ASN 44 1HB ASN 44 -19.392 -19.107 9.953 1131 1HD2 ASN 44 2HD2 ASN 44 -16.553 -18.951 7.522 1132 2HD2 ASN 44 1HD2 ASN 44 -16.704 -18.754 9.201 1133 H LYS 45 H LYS 45 -21.083 -15.898 10.765 1134 HA LYS 45 HA LYS 45 -23.043 -17.662 12.184 1135 1HB LYS 45 2HB LYS 45 -21.360 -15.292 13.068 1136 2HB LYS 45 1HB LYS 45 -22.473 -16.174 14.116 1137 1HG LYS 45 2HG LYS 45 -20.349 -17.156 14.531 1138 2HG LYS 45 1HG LYS 45 -21.167 -18.287 13.452 1139 1HD LYS 45 2HD LYS 45 -19.752 -17.861 11.712 1140 2HD LYS 45 1HD LYS 45 -19.619 -16.149 12.108 1141 1HE LYS 45 2HE LYS 45 -18.388 -18.076 14.036 1142 2HE LYS 45 1HE LYS 45 -17.556 -17.822 12.489 1143 1HZ LYS 45 2HZ LYS 45 -18.311 -15.326 13.144 1144 2HZ LYS 45 1HZ LYS 45 -17.968 -15.975 14.676 1145 3HZ LYS 45 3HZ LYS 45 -16.776 -15.976 13.469 1146 H ILE 46 H ILE 46 -22.734 -14.837 10.263 1147 HA ILE 46 HA ILE 46 -25.259 -13.651 11.307 1148 HB ILE 46 HB ILE 46 -23.160 -12.768 9.296 1149 1HG1 ILE 46 2HG1 ILE 46 -22.105 -12.199 11.243 1150 2HG1 ILE 46 1HG1 ILE 46 -23.243 -10.858 11.251 1151 1HG2 ILE 46 2HG2 ILE 46 -25.848 -11.684 9.978 1152 2HG2 ILE 46 1HG2 ILE 46 -24.539 -10.518 9.774 1153 3HG2 ILE 46 3HG2 ILE 46 -24.955 -11.615 8.457 1154 1HD1 ILE 46 1HD1 ILE 46 -24.804 -12.201 12.637 1155 2HD1 ILE 46 3HD1 ILE 46 -23.631 -13.518 12.662 1156 3HD1 ILE 46 2HD1 ILE 46 -23.247 -11.982 13.435 1157 H ILE 47 HN ILE 47 -24.024 -15.624 8.746 1158 HA ILE 47 HA ILE 47 -25.875 -15.053 6.648 1159 HB ILE 47 HB ILE 47 -23.868 -16.424 6.387 1160 1HG1 ILE 47 2HG1 ILE 47 -25.898 -18.535 5.967 1161 2HG1 ILE 47 1HG1 ILE 47 -26.305 -16.967 5.269 1162 1HG2 ILE 47 1HG2 ILE 47 -24.718 -17.567 8.801 1163 2HG2 ILE 47 3HG2 ILE 47 -24.877 -18.862 7.613 1164 3HG2 ILE 47 2HG2 ILE 47 -23.323 -18.059 7.842 1165 1HD1 ILE 47 1HD1 ILE 47 -24.096 -16.910 4.143 1166 2HD1 ILE 47 3HD1 ILE 47 -23.731 -18.503 4.805 1167 3HD1 ILE 47 2HD1 ILE 47 -25.045 -18.310 3.645 No H/Q in entry = 1167 Start of MODEL 8 1 1H GLY 1 2H GLY 1 38.716 3.991 -23.925 2 2H GLY 1 1H GLY 1 38.324 5.429 -23.109 3 3H GLY 1 3H GLY 1 39.713 5.358 -24.077 4 1HA GLY 1 2HA GLY 1 40.808 3.894 -22.595 5 2HA GLY 1 1HA GLY 1 40.148 5.222 -21.637 6 H SER 2 H SER 2 37.491 4.566 -21.421 7 HA SER 2 HA SER 2 37.510 1.824 -20.204 8 1HB SER 2 2HB SER 2 37.769 3.926 -18.681 9 2HB SER 2 1HB SER 2 36.063 4.197 -19.027 10 HG SER 2 HG SER 2 35.738 1.991 -18.308 11 H HIS 3 H HIS 3 35.409 0.787 -20.175 12 HA HIS 3 HA HIS 3 33.084 2.111 -21.377 13 1HB HIS 3 2HB HIS 3 34.950 0.319 -22.876 14 2HB HIS 3 1HB HIS 3 33.226 0.159 -23.205 15 HD1 HIS 3 HD1 HIS 3 32.023 2.677 -23.583 16 HD2 HIS 3 HD2 HIS 3 36.089 2.296 -24.418 17 HE1 HIS 3 HE1 HIS 3 32.632 4.628 -25.078 18 H MET 4 H MET 4 32.201 1.308 -19.316 19 HA MET 4 HA MET 4 30.967 -1.311 -19.555 20 1HB MET 4 2HB MET 4 33.555 -1.382 -18.734 21 2HB MET 4 1HB MET 4 32.742 -1.198 -17.178 22 1HG MET 4 2HG MET 4 31.856 -3.287 -17.259 23 2HG MET 4 1HG MET 4 31.469 -3.158 -18.974 24 1HE MET 4 1HE MET 4 32.195 -4.741 -20.355 25 2HE MET 4 3HE MET 4 33.562 -5.846 -20.155 26 3HE MET 4 2HE MET 4 32.230 -5.870 -19.002 27 H GLU 5 H GLU 5 28.977 -0.602 -18.836 28 HA GLU 5 HA GLU 5 28.853 0.578 -16.093 29 1HB GLU 5 2HB GLU 5 28.561 1.994 -18.477 30 2HB GLU 5 1HB GLU 5 26.899 1.675 -17.975 31 1HG GLU 5 2HG GLU 5 27.114 3.418 -16.557 32 2HG GLU 5 1HG GLU 5 28.198 2.397 -15.611 33 H GLU 6 H GLU 6 26.579 -0.250 -18.745 34 HA GLU 6 HA GLU 6 24.625 -1.583 -18.703 35 1HB GLU 6 2HB GLU 6 26.212 -3.054 -16.580 36 2HB GLU 6 1HB GLU 6 24.996 -3.735 -17.661 37 1HG GLU 6 2HG GLU 6 27.058 -2.372 -19.177 38 2HG GLU 6 1HG GLU 6 27.766 -3.596 -18.122 39 H ASP 7 H ASP 7 23.006 -0.290 -17.786 40 HA ASP 7 HA ASP 7 21.563 0.566 -16.113 41 1HB ASP 7 2HB ASP 7 21.107 -1.830 -15.992 42 2HB ASP 7 1HB ASP 7 22.503 -2.072 -14.942 43 HA PRO 8 HA PRO 8 24.987 2.217 -13.574 44 1HB PRO 8 2HB PRO 8 24.243 4.836 -13.830 45 2HB PRO 8 1HB PRO 8 25.261 3.997 -15.015 46 1HG PRO 8 2HG PRO 8 22.386 4.694 -15.152 47 2HG PRO 8 1HG PRO 8 23.591 4.594 -16.442 48 1HD PRO 8 2HD PRO 8 21.673 2.674 -15.901 49 2HD PRO 8 1HD PRO 8 23.165 2.401 -16.826 50 H CYS 9 H CYS 9 21.978 4.163 -13.436 51 HA CYS 9 HA CYS 9 21.764 3.422 -10.538 52 1HB CYS 9 2HB CYS 9 21.539 5.996 -12.079 53 2HB CYS 9 1HB CYS 9 20.690 5.822 -10.544 54 H GLU 10 H GLU 10 20.402 1.960 -12.631 55 HA GLU 10 HA GLU 10 18.224 1.380 -13.382 56 1HB GLU 10 2HB GLU 10 18.139 2.041 -10.444 57 2HB GLU 10 1HB GLU 10 16.701 1.437 -11.268 58 1HG GLU 10 2HG GLU 10 17.556 -0.613 -10.791 59 2HG GLU 10 1HG GLU 10 18.609 -0.303 -12.173 60 H CYS 11 H CYS 11 18.793 4.082 -14.121 61 HA CYS 11 HA CYS 11 17.101 6.115 -13.310 62 1HB CYS 11 2HB CYS 11 18.296 5.222 -15.889 63 2HB CYS 11 1HB CYS 11 17.074 6.495 -15.970 64 H LYS 12 H LYS 12 16.227 3.239 -15.140 65 HA LYS 12 HA LYS 12 13.386 4.213 -15.213 66 1HB LYS 12 2HB LYS 12 14.962 2.335 -17.003 67 2HB LYS 12 1HB LYS 12 13.232 2.627 -17.169 68 1HG LYS 12 2HG LYS 12 13.627 4.512 -18.328 69 2HG LYS 12 1HG LYS 12 14.605 5.151 -17.007 70 1HD LYS 12 2HD LYS 12 16.478 3.614 -17.892 71 2HD LYS 12 1HD LYS 12 15.499 3.475 -19.352 72 1HE LYS 12 2HE LYS 12 15.457 6.019 -19.445 73 2HE LYS 12 1HE LYS 12 16.693 5.999 -18.170 74 1HZ LYS 12 3HZ LYS 12 18.037 4.530 -19.550 75 2HZ LYS 12 2HZ LYS 12 16.866 4.582 -20.780 76 3HZ LYS 12 1HZ LYS 12 17.724 5.988 -20.359 77 H SER 13 H SER 13 15.547 1.889 -13.932 78 HA SER 13 HA SER 13 13.655 -0.308 -13.638 79 1HB SER 13 2HB SER 13 16.424 0.422 -12.846 80 2HB SER 13 1HB SER 13 15.640 -0.822 -11.880 81 HG SER 13 HG SER 13 16.508 -0.857 -14.499 82 H ILE 14 H ILE 14 14.598 2.463 -11.706 83 HA ILE 14 HA ILE 14 13.271 1.526 -9.262 84 HB ILE 14 HB ILE 14 14.440 4.141 -10.228 85 1HG1 ILE 14 2HG1 ILE 14 15.616 2.462 -8.062 86 2HG1 ILE 14 1HG1 ILE 14 15.789 1.895 -9.720 87 1HG2 ILE 14 1HG2 ILE 14 12.628 4.133 -8.308 88 2HG2 ILE 14 3HG2 ILE 14 13.955 3.499 -7.334 89 3HG2 ILE 14 2HG2 ILE 14 14.109 5.073 -8.115 90 1HD1 ILE 14 2HD1 ILE 14 16.711 4.122 -10.354 91 2HD1 ILE 14 1HD1 ILE 14 16.629 4.608 -8.661 92 3HD1 ILE 14 3HD1 ILE 14 17.705 3.301 -9.152 93 H VAL 15 H VAL 15 12.625 3.751 -11.920 94 HA VAL 15 HA VAL 15 10.111 4.705 -10.741 95 HB VAL 15 HB VAL 15 10.788 5.131 -13.621 96 1HG1 VAL 15 3HG1 VAL 15 9.881 6.826 -11.280 97 2HG1 VAL 15 2HG1 VAL 15 10.285 7.513 -12.852 98 3HG1 VAL 15 1HG1 VAL 15 8.949 6.371 -12.706 99 1HG2 VAL 15 2HG2 VAL 15 12.598 5.808 -11.328 100 2HG2 VAL 15 1HG2 VAL 15 13.011 5.404 -12.994 101 3HG2 VAL 15 3HG2 VAL 15 12.398 7.012 -12.602 102 H LYS 16 H LYS 16 11.177 2.160 -12.873 103 HA LYS 16 HA LYS 16 8.490 1.692 -13.999 104 1HB LYS 16 2HB LYS 16 9.538 -0.214 -15.059 105 2HB LYS 16 1HB LYS 16 10.682 1.120 -15.135 106 1HG LYS 16 2HG LYS 16 12.042 -0.607 -14.392 107 2HG LYS 16 1HG LYS 16 11.551 0.115 -12.861 108 1HD LYS 16 2HD LYS 16 10.773 -1.920 -12.267 109 2HD LYS 16 1HD LYS 16 9.511 -1.708 -13.483 110 1HE LYS 16 2HE LYS 16 10.788 -2.861 -15.152 111 2HE LYS 16 1HE LYS 16 12.260 -2.799 -14.162 112 1HZ LYS 16 1HZ LYS 16 9.935 -3.944 -12.864 113 2HZ LYS 16 3HZ LYS 16 10.553 -4.862 -14.150 114 3HZ LYS 16 2HZ LYS 16 11.555 -4.455 -12.840 115 H PHE 17 H PHE 17 10.531 0.490 -11.385 116 HA PHE 17 HA PHE 17 8.747 -1.628 -10.525 117 1HB PHE 17 2HB PHE 17 10.904 -1.830 -9.659 118 2HB PHE 17 1HB PHE 17 11.107 -0.087 -9.497 119 HD1 PHE 17 HD2 PHE 17 9.843 1.126 -7.655 120 HD2 PHE 17 HD1 PHE 17 10.170 -3.151 -7.824 121 HE1 PHE 17 HE2 PHE 17 9.213 0.987 -5.264 122 HE2 PHE 17 HE1 PHE 17 9.539 -3.292 -5.430 123 HZ PHE 17 HZ PHE 17 9.060 -1.223 -4.148 124 H GLN 18 H GLN 18 9.045 1.840 -10.015 125 HA GLN 18 HA GLN 18 7.291 2.176 -7.787 126 1HB GLN 18 2HB GLN 18 8.319 3.790 -10.081 127 2HB GLN 18 1HB GLN 18 6.953 4.446 -9.181 128 1HG GLN 18 2HG GLN 18 8.317 3.983 -7.064 129 2HG GLN 18 1HG GLN 18 9.695 3.733 -8.135 130 1HE2 GLN 18 2HE2 GLN 18 8.767 7.342 -9.288 131 2HE2 GLN 18 1HE2 GLN 18 8.282 5.875 -9.988 132 H THR 19 H THR 19 6.647 2.155 -11.294 133 HA THR 19 HA THR 19 3.852 2.688 -11.227 134 HB THR 19 HB THR 19 5.709 1.122 -13.025 135 HG1 THR 19 HG1 THR 19 5.630 3.484 -12.862 136 1HG2 THR 19 1HG2 THR 19 2.718 1.390 -13.186 137 2HG2 THR 19 3HG2 THR 19 3.681 1.279 -14.660 138 3HG2 THR 19 2HG2 THR 19 3.721 -0.031 -13.479 139 H LYS 20 H LYS 20 5.670 -0.308 -10.704 140 HA LYS 20 HA LYS 20 3.392 -2.088 -10.650 141 1HB LYS 20 2HB LYS 20 6.224 -2.121 -9.573 142 2HB LYS 20 1HB LYS 20 5.129 -3.481 -9.324 143 1HG LYS 20 2HG LYS 20 5.076 -2.611 -12.092 144 2HG LYS 20 1HG LYS 20 6.720 -3.005 -11.588 145 1HD LYS 20 2HD LYS 20 6.212 -5.223 -11.173 146 2HD LYS 20 1HD LYS 20 4.525 -4.876 -10.796 147 1HE LYS 20 2HE LYS 20 3.893 -4.821 -13.049 148 2HE LYS 20 1HE LYS 20 5.535 -4.433 -13.600 149 1HZ LYS 20 1HZ LYS 20 6.169 -6.660 -12.581 150 2HZ LYS 20 3HZ LYS 20 4.510 -7.012 -12.569 151 3HZ LYS 20 2HZ LYS 20 5.300 -6.706 -14.041 152 H VAL 21 H VAL 21 5.003 -0.002 -8.347 153 HA VAL 21 HA VAL 21 3.548 -0.979 -6.001 154 HB VAL 21 HB VAL 21 5.519 1.156 -6.738 155 1HG1 VAL 21 2HG1 VAL 21 3.825 1.162 -4.227 156 2HG1 VAL 21 1HG1 VAL 21 5.342 2.049 -4.383 157 3HG1 VAL 21 3HG1 VAL 21 3.973 2.454 -5.417 158 1HG2 VAL 21 2HG2 VAL 21 5.781 -1.338 -5.751 159 2HG2 VAL 21 1HG2 VAL 21 6.927 -0.047 -5.384 160 3HG2 VAL 21 3HG2 VAL 21 5.648 -0.445 -4.236 161 H GLU 22 H GLU 22 2.993 1.219 -8.596 162 HA GLU 22 HA GLU 22 1.111 2.987 -7.252 163 1HB GLU 22 2HB GLU 22 2.118 2.397 -10.003 164 2HB GLU 22 1HB GLU 22 0.595 3.272 -9.877 165 1HG GLU 22 2HG GLU 22 1.809 4.806 -8.206 166 2HG GLU 22 1HG GLU 22 3.299 4.072 -8.801 167 H GLU 23 H GLU 23 0.807 0.179 -9.446 168 HA GLU 23 HA GLU 23 -2.104 0.144 -9.330 169 1HB GLU 23 2HB GLU 23 -1.797 -1.950 -10.578 170 2HB GLU 23 1HB GLU 23 -0.701 -0.718 -11.206 171 1HG GLU 23 2HG GLU 23 1.106 -1.637 -9.755 172 2HG GLU 23 1HG GLU 23 0.006 -2.917 -9.243 173 H LEU 24 H LEU 24 0.533 -1.398 -7.548 174 HA LEU 24 HA LEU 24 -1.080 -3.375 -6.184 175 1HB LEU 24 2HB LEU 24 1.544 -2.960 -6.525 176 2HB LEU 24 1HB LEU 24 1.368 -2.154 -4.967 177 HG LEU 24 HG LEU 24 1.892 -4.421 -4.447 178 1HD1 LEU 24 2HD1 LEU 24 -0.235 -3.312 -3.390 179 2HD1 LEU 24 1HD1 LEU 24 -1.112 -4.516 -4.332 180 3HD1 LEU 24 3HD1 LEU 24 0.062 -5.029 -3.120 181 1HD2 LEU 24 2HD2 LEU 24 0.299 -4.921 -6.862 182 2HD2 LEU 24 1HD2 LEU 24 1.603 -5.878 -6.160 183 3HD2 LEU 24 3HD2 LEU 24 -0.046 -6.057 -5.559 184 H ILE 25 H ILE 25 0.117 -0.129 -5.275 185 HA ILE 25 HA ILE 25 -1.046 0.001 -2.682 186 HB ILE 25 HB ILE 25 0.157 1.759 -4.701 187 1HG1 ILE 25 2HG1 ILE 25 1.343 2.601 -2.819 188 2HG1 ILE 25 1HG1 ILE 25 0.073 2.108 -1.699 189 1HG2 ILE 25 3HG2 ILE 25 -1.993 2.882 -2.881 190 2HG2 ILE 25 2HG2 ILE 25 -0.734 3.873 -3.621 191 3HG2 ILE 25 1HG2 ILE 25 -1.896 3.019 -4.637 192 1HD1 ILE 25 3HD1 ILE 25 1.063 -0.156 -3.237 193 2HD1 ILE 25 2HD1 ILE 25 2.366 0.642 -2.356 194 3HD1 ILE 25 1HD1 ILE 25 0.953 0.042 -1.487 195 H ASN 26 H ASN 26 -2.380 0.766 -5.898 196 HA ASN 26 HA ASN 26 -4.880 1.850 -4.999 197 1HB ASN 26 2HB ASN 26 -3.648 1.744 -7.334 198 2HB ASN 26 1HB ASN 26 -4.562 0.247 -7.523 199 1HD2 ASN 26 2HD2 ASN 26 -7.331 2.119 -8.622 200 2HD2 ASN 26 1HD2 ASN 26 -6.292 0.803 -8.883 201 H THR 27 H THR 27 -3.898 -1.434 -5.933 202 HA THR 27 HA THR 27 -6.408 -2.743 -5.600 203 HB THR 27 HB THR 27 -3.511 -3.577 -5.311 204 HG1 THR 27 HG1 THR 27 -4.515 -2.882 -7.367 205 1HG2 THR 27 3HG2 THR 27 -6.018 -5.101 -4.857 206 2HG2 THR 27 2HG2 THR 27 -4.796 -5.897 -5.849 207 3HG2 THR 27 1HG2 THR 27 -4.399 -5.376 -4.212 208 H LEU 28 H LEU 28 -3.930 -1.777 -3.277 209 HA LEU 28 HA LEU 28 -4.963 -3.347 -1.060 210 1HB LEU 28 2HB LEU 28 -3.101 -0.990 -1.407 211 2HB LEU 28 1HB LEU 28 -3.475 -1.639 0.190 212 HG LEU 28 HG LEU 28 -2.650 -3.557 -1.951 213 1HD1 LEU 28 3HD1 LEU 28 -0.792 -1.684 -0.459 214 2HD1 LEU 28 2HD1 LEU 28 -0.253 -3.160 -1.261 215 3HD1 LEU 28 1HD1 LEU 28 -0.958 -1.849 -2.206 216 1HD2 LEU 28 2HD2 LEU 28 -2.992 -3.472 0.927 217 2HD2 LEU 28 1HD2 LEU 28 -2.758 -4.872 -0.119 218 3HD2 LEU 28 3HD2 LEU 28 -1.361 -4.002 0.516 219 H GLN 29 H GLN 29 -5.205 0.095 -1.985 220 HA GLN 29 HA GLN 29 -6.989 0.836 0.156 221 1HB GLN 29 2HB GLN 29 -5.438 2.146 -1.564 222 2HB GLN 29 1HB GLN 29 -6.917 2.186 -2.523 223 1HG GLN 29 2HG GLN 29 -7.906 2.913 -0.101 224 2HG GLN 29 1HG GLN 29 -6.275 3.576 0.017 225 1HE2 GLN 29 2HE2 GLN 29 -6.805 6.056 -2.479 226 2HE2 GLN 29 1HE2 GLN 29 -5.636 5.219 -1.577 227 H GLN 30 H GLN 30 -7.373 -0.959 -2.725 228 HA GLN 30 HA GLN 30 -10.204 -0.337 -3.188 229 1HB GLN 30 2HB GLN 30 -8.137 -2.269 -4.250 230 2HB GLN 30 1HB GLN 30 -9.825 -2.385 -4.747 231 1HG GLN 30 2HG GLN 30 -8.885 0.360 -4.859 232 2HG GLN 30 1HG GLN 30 -7.883 -0.700 -5.846 233 1HE2 GLN 30 2HE2 GLN 30 -10.835 0.396 -7.890 234 2HE2 GLN 30 1HE2 GLN 30 -9.584 1.215 -7.086 235 H LYS 31 H LYS 31 -8.331 -3.176 -2.086 236 HA LYS 31 HA LYS 31 -10.635 -4.723 -1.281 237 1HB LYS 31 2HB LYS 31 -7.687 -4.802 -1.130 238 2HB LYS 31 1HB LYS 31 -8.491 -5.617 0.212 239 1HG LYS 31 2HG LYS 31 -9.806 -6.967 -1.355 240 2HG LYS 31 1HG LYS 31 -9.081 -6.116 -2.720 241 1HD LYS 31 2HD LYS 31 -6.827 -6.908 -1.922 242 2HD LYS 31 1HD LYS 31 -7.661 -7.899 -0.724 243 1HE LYS 31 2HE LYS 31 -8.404 -8.102 -3.644 244 2HE LYS 31 1HE LYS 31 -7.038 -9.025 -2.987 245 1HZ LYS 31 2HZ LYS 31 -9.581 -8.970 -1.516 246 2HZ LYS 31 1HZ LYS 31 -9.430 -10.007 -2.852 247 3HZ LYS 31 3HZ LYS 31 -8.376 -10.168 -1.533 248 H LEU 32 H LEU 32 -8.989 -2.033 0.069 249 HA LEU 32 HA LEU 32 -9.699 -2.546 2.869 250 1HB LEU 32 2HB LEU 32 -7.722 -1.211 1.749 251 2HB LEU 32 1HB LEU 32 -8.899 0.101 1.680 252 HG LEU 32 HG LEU 32 -9.227 0.008 4.080 253 1HD1 LEU 32 3HD1 LEU 32 -7.649 -2.520 3.780 254 2HD1 LEU 32 2HD1 LEU 32 -7.498 -1.613 5.286 255 3HD1 LEU 32 1HD1 LEU 32 -9.077 -2.204 4.765 256 1HD2 LEU 32 1HD2 LEU 32 -6.379 0.063 3.090 257 2HD2 LEU 32 3HD2 LEU 32 -7.406 1.416 3.563 258 3HD2 LEU 32 2HD2 LEU 32 -6.745 0.338 4.793 259 H GLU 33 H GLU 33 -10.758 -0.290 0.287 260 HA GLU 33 HA GLU 33 -12.875 0.898 1.850 261 1HB GLU 33 2HB GLU 33 -11.826 1.927 -0.141 262 2HB GLU 33 1HB GLU 33 -12.458 0.625 -1.149 263 1HG GLU 33 2HG GLU 33 -14.657 1.371 -0.973 264 2HG GLU 33 1HG GLU 33 -14.357 2.210 0.550 265 H ALA 34 H ALA 34 -12.539 -2.084 0.145 266 HA ALA 34 HA ALA 34 -15.459 -2.540 -0.062 267 1HB ALA 34 3HB ALA 34 -12.908 -3.830 -0.951 268 2HB ALA 34 2HB ALA 34 -14.312 -4.878 -0.752 269 3HB ALA 34 1HB ALA 34 -14.380 -3.518 -1.872 270 H VAL 35 H VAL 35 -12.644 -3.463 1.823 271 HA VAL 35 HA VAL 35 -13.806 -5.561 3.387 272 HB VAL 35 HB VAL 35 -11.456 -3.754 3.371 273 1HG1 VAL 35 3HG1 VAL 35 -12.344 -3.376 5.677 274 2HG1 VAL 35 2HG1 VAL 35 -12.267 -5.116 5.954 275 3HG1 VAL 35 1HG1 VAL 35 -10.786 -4.203 5.667 276 1HG2 VAL 35 2HG2 VAL 35 -11.906 -6.675 4.036 277 2HG2 VAL 35 1HG2 VAL 35 -11.359 -6.024 2.490 278 3HG2 VAL 35 3HG2 VAL 35 -10.323 -5.907 3.913 279 H ALA 36 H ALA 36 -13.700 -2.019 3.732 280 HA ALA 36 HA ALA 36 -15.002 -1.944 6.324 281 1HB ALA 36 3HB ALA 36 -13.562 -0.179 5.106 282 2HB ALA 36 2HB ALA 36 -15.014 0.190 4.175 283 3HB ALA 36 1HB ALA 36 -15.007 0.414 5.925 284 H LYS 37 H LYS 37 -16.067 -2.169 2.994 285 HA LYS 37 HA LYS 37 -18.849 -1.445 3.562 286 1HB LYS 37 2HB LYS 37 -17.125 -2.209 1.288 287 2HB LYS 37 1HB LYS 37 -18.789 -2.779 1.147 288 1HG LYS 37 2HG LYS 37 -19.619 -0.677 0.882 289 2HG LYS 37 1HG LYS 37 -18.519 0.010 2.079 290 1HD LYS 37 2HD LYS 37 -16.988 0.589 0.510 291 2HD LYS 37 1HD LYS 37 -17.168 -0.938 -0.353 292 1HE LYS 37 2HE LYS 37 -18.001 0.690 -1.877 293 2HE LYS 37 1HE LYS 37 -19.466 0.025 -1.128 294 1HZ LYS 37 2HZ LYS 37 -17.994 2.406 -0.131 295 2HZ LYS 37 1HZ LYS 37 -19.404 2.478 -1.074 296 3HZ LYS 37 3HZ LYS 37 -19.456 1.792 0.477 297 H ARG 38 H ARG 38 -16.897 -4.257 3.874 298 HA ARG 38 HA ARG 38 -19.175 -6.131 3.727 299 1HB ARG 38 2HB ARG 38 -16.240 -6.423 4.449 300 2HB ARG 38 1HB ARG 38 -17.361 -7.764 4.223 301 1HG ARG 38 2HG ARG 38 -17.076 -5.721 2.046 302 2HG ARG 38 1HG ARG 38 -15.844 -6.973 2.217 303 1HD ARG 38 2HD ARG 38 -18.409 -8.232 2.445 304 2HD ARG 38 1HD ARG 38 -18.408 -7.220 0.987 305 HE ARG 38 HE ARG 38 -15.927 -8.447 0.924 306 1HH1 ARG 38 2HH1 ARG 38 -18.232 -10.288 2.337 307 2HH1 ARG 38 1HH1 ARG 38 -18.378 -11.463 1.072 308 1HH2 ARG 38 1HH2 ARG 38 -16.523 -9.629 -1.210 309 2HH2 ARG 38 2HH2 ARG 38 -17.412 -11.088 -0.934 310 H ILE 39 H ILE 39 -16.973 -4.685 6.101 311 HA ILE 39 HA ILE 39 -17.959 -6.059 8.415 312 HB ILE 39 HB ILE 39 -16.659 -3.359 7.955 313 1HG1 ILE 39 2HG1 ILE 39 -15.731 -6.148 8.583 314 2HG1 ILE 39 1HG1 ILE 39 -15.078 -4.991 7.425 315 1HG2 ILE 39 2HG2 ILE 39 -18.098 -3.891 10.184 316 2HG2 ILE 39 1HG2 ILE 39 -16.573 -4.650 10.636 317 3HG2 ILE 39 3HG2 ILE 39 -16.616 -2.940 10.214 318 1HD1 ILE 39 1HD1 ILE 39 -14.549 -3.587 9.603 319 2HD1 ILE 39 3HD1 ILE 39 -14.637 -5.164 10.385 320 3HD1 ILE 39 2HD1 ILE 39 -13.466 -4.884 9.095 321 H GLU 40 H GLU 40 -18.916 -3.022 6.813 322 HA GLU 40 HA GLU 40 -20.907 -2.242 8.723 323 1HB GLU 40 2HB GLU 40 -21.598 -0.742 6.974 324 2HB GLU 40 1HB GLU 40 -19.853 -0.928 6.794 325 1HG GLU 40 2HG GLU 40 -20.503 -1.289 4.610 326 2HG GLU 40 1HG GLU 40 -20.592 -2.936 5.223 327 H ALA 41 H ALA 41 -20.846 -4.529 6.066 328 HA ALA 41 HA ALA 41 -23.653 -5.003 5.776 329 1HB ALA 41 3HB ALA 41 -21.317 -5.884 4.640 330 2HB ALA 41 2HB ALA 41 -21.792 -7.301 5.577 331 3HB ALA 41 1HB ALA 41 -22.885 -6.640 4.360 332 H LEU 42 H LEU 42 -21.183 -6.361 7.930 333 HA LEU 42 HA LEU 42 -23.005 -8.179 9.295 334 1HB LEU 42 2HB LEU 42 -20.266 -7.019 9.899 335 2HB LEU 42 1HB LEU 42 -21.039 -8.224 10.919 336 HG LEU 42 HG LEU 42 -20.045 -9.768 9.595 337 1HD1 LEU 42 3HD1 LEU 42 -22.367 -9.861 8.684 338 2HD1 LEU 42 2HD1 LEU 42 -21.889 -8.730 7.419 339 3HD1 LEU 42 1HD1 LEU 42 -21.156 -10.331 7.491 340 1HD2 LEU 42 1HD2 LEU 42 -19.373 -7.322 8.113 341 2HD2 LEU 42 3HD2 LEU 42 -18.355 -8.697 8.537 342 3HD2 LEU 42 2HD2 LEU 42 -19.402 -8.778 7.119 343 H GLU 43 H GLU 43 -22.012 -4.832 9.636 344 HA GLU 43 HA GLU 43 -22.988 -4.425 12.330 345 1HB GLU 43 2HB GLU 43 -22.532 -2.572 9.968 346 2HB GLU 43 1HB GLU 43 -22.764 -2.039 11.635 347 1HG GLU 43 2HG GLU 43 -20.806 -3.986 11.850 348 2HG GLU 43 1HG GLU 43 -20.383 -3.142 10.361 349 H ASN 44 H ASN 44 -24.463 -4.792 9.258 350 HA ASN 44 HA ASN 44 -26.901 -3.277 9.789 351 1HB ASN 44 2HB ASN 44 -25.971 -5.350 7.792 352 2HB ASN 44 1HB ASN 44 -27.640 -4.782 7.793 353 1HD2 ASN 44 1HD2 ASN 44 -27.702 -2.171 7.962 354 2HD2 ASN 44 2HD2 ASN 44 -26.643 -1.379 6.898 355 H LYS 45 H LYS 45 -25.642 -6.361 10.676 356 HA LYS 45 HA LYS 45 -28.351 -7.306 11.549 357 1HB LYS 45 2HB LYS 45 -25.767 -8.674 10.769 358 2HB LYS 45 1HB LYS 45 -27.049 -9.537 11.620 359 1HG LYS 45 2HG LYS 45 -27.284 -9.856 9.198 360 2HG LYS 45 1HG LYS 45 -28.639 -8.913 9.818 361 1HD LYS 45 2HD LYS 45 -27.948 -6.978 8.784 362 2HD LYS 45 1HD LYS 45 -26.241 -7.401 8.905 363 1HE LYS 45 2HE LYS 45 -26.469 -7.818 6.654 364 2HE LYS 45 1HE LYS 45 -27.132 -9.366 7.217 365 1HZ LYS 45 2HZ LYS 45 -28.834 -6.959 7.037 366 2HZ LYS 45 1HZ LYS 45 -28.575 -7.937 5.671 367 3HZ LYS 45 3HZ LYS 45 -29.301 -8.593 7.056 368 H ILE 46 H ILE 46 -25.225 -6.237 12.603 369 HA ILE 46 HA ILE 46 -25.641 -7.371 15.334 370 HB ILE 46 HB ILE 46 -23.291 -5.949 14.030 371 1HG1 ILE 46 2HG1 ILE 46 -23.250 -8.014 12.964 372 2HG1 ILE 46 1HG1 ILE 46 -22.356 -8.408 14.426 373 1HG2 ILE 46 2HG2 ILE 46 -23.668 -7.263 16.724 374 2HG2 ILE 46 1HG2 ILE 46 -22.073 -6.989 16.024 375 3HG2 ILE 46 3HG2 ILE 46 -23.126 -5.621 16.381 376 1HD1 ILE 46 3HD1 ILE 46 -25.336 -8.841 14.066 377 2HD1 ILE 46 2HD1 ILE 46 -24.111 -10.098 13.919 378 3HD1 ILE 46 1HD1 ILE 46 -24.378 -9.302 15.470 379 H ILE 47 HN ILE 47 -26.032 -4.487 13.520 380 HA ILE 47 HA ILE 47 -25.461 -2.409 15.327 381 HB ILE 47 HB ILE 47 -26.172 -1.931 13.097 382 1HG1 ILE 47 2HG1 ILE 47 -28.663 -1.217 14.630 383 2HG1 ILE 47 1HG1 ILE 47 -27.116 -0.499 15.081 384 1HG2 ILE 47 1HG2 ILE 47 -28.507 -3.687 13.831 385 2HG2 ILE 47 3HG2 ILE 47 -28.633 -2.541 12.497 386 3HG2 ILE 47 2HG2 ILE 47 -27.418 -3.819 12.451 387 1HD1 ILE 47 1HD1 ILE 47 -28.010 -0.478 12.207 388 2HD1 ILE 47 3HD1 ILE 47 -28.613 0.738 13.332 389 3HD1 ILE 47 2HD1 ILE 47 -26.882 0.604 13.024 390 1H GLY 1 2H GLY 1 27.600 23.251 -27.790 391 2H GLY 1 1H GLY 1 28.454 22.054 -26.940 392 3H GLY 1 3H GLY 1 29.258 23.016 -28.081 393 1HA GLY 1 2HA GLY 1 28.182 22.008 -29.886 394 2HA GLY 1 1HA GLY 1 28.680 20.694 -28.820 395 H SER 2 H SER 2 26.834 20.557 -26.889 396 HA SER 2 HA SER 2 24.191 20.420 -28.307 397 1HB SER 2 2HB SER 2 25.636 18.270 -27.942 398 2HB SER 2 1HB SER 2 25.130 18.415 -26.262 399 HG SER 2 HG SER 2 22.961 18.421 -27.026 400 H HIS 3 H HIS 3 22.334 20.541 -26.841 401 HA HIS 3 HA HIS 3 22.728 21.155 -24.006 402 1HB HIS 3 2HB HIS 3 22.465 23.240 -26.130 403 2HB HIS 3 1HB HIS 3 21.612 23.521 -24.610 404 HD1 HIS 3 HD1 HIS 3 23.280 23.025 -22.396 405 HD2 HIS 3 HD2 HIS 3 25.074 24.103 -26.001 406 HE1 HIS 3 HE1 HIS 3 25.607 23.845 -21.823 407 H MET 4 H MET 4 21.099 19.380 -24.029 408 HA MET 4 HA MET 4 18.373 20.410 -23.944 409 1HB MET 4 2HB MET 4 19.243 19.800 -26.431 410 2HB MET 4 1HB MET 4 18.678 18.207 -25.924 411 1HG MET 4 2HG MET 4 16.489 18.842 -25.925 412 2HG MET 4 1HG MET 4 16.852 20.440 -25.272 413 1HE MET 4 1HE MET 4 16.257 22.339 -26.451 414 2HE MET 4 3HE MET 4 15.669 22.350 -28.120 415 3HE MET 4 2HE MET 4 14.907 21.309 -26.921 416 H GLU 5 H GLU 5 17.892 19.417 -22.001 417 HA GLU 5 HA GLU 5 18.137 16.436 -21.895 418 1HB GLU 5 2HB GLU 5 19.798 18.241 -20.589 419 2HB GLU 5 1HB GLU 5 18.610 17.824 -19.354 420 1HG GLU 5 2HG GLU 5 19.820 15.949 -19.003 421 2HG GLU 5 1HG GLU 5 19.203 15.380 -20.555 422 H GLU 6 H GLU 6 17.005 19.112 -19.786 423 HA GLU 6 HA GLU 6 14.956 19.366 -18.630 424 1HB GLU 6 2HB GLU 6 13.921 17.886 -21.067 425 2HB GLU 6 1HB GLU 6 13.043 19.055 -20.081 426 1HG GLU 6 2HG GLU 6 15.544 20.178 -21.040 427 2HG GLU 6 1HG GLU 6 14.550 19.608 -22.381 428 H ASP 7 H ASP 7 15.062 18.009 -16.822 429 HA ASP 7 HA ASP 7 14.694 16.080 -15.499 430 1HB ASP 7 2HB ASP 7 12.421 16.687 -16.234 431 2HB ASP 7 1HB ASP 7 12.640 15.744 -17.710 432 HA PRO 8 HA PRO 8 17.106 13.350 -18.263 433 1HB PRO 8 2HB PRO 8 19.042 12.775 -16.416 434 2HB PRO 8 1HB PRO 8 19.090 14.209 -17.457 435 1HG PRO 8 2HG PRO 8 18.362 13.977 -14.596 436 2HG PRO 8 1HG PRO 8 19.147 15.303 -15.461 437 1HD PRO 8 2HD PRO 8 16.480 15.242 -14.710 438 2HD PRO 8 1HD PRO 8 17.171 16.295 -15.961 439 H CYS 9 H CYS 9 17.307 12.480 -14.791 440 HA CYS 9 HA CYS 9 15.875 9.930 -15.452 441 1HB CYS 9 2HB CYS 9 18.342 10.613 -13.879 442 2HB CYS 9 1HB CYS 9 17.411 9.181 -13.440 443 H GLU 10 H GLU 10 14.507 12.292 -14.509 444 HA GLU 10 HA GLU 10 13.191 13.086 -12.697 445 1HB GLU 10 2HB GLU 10 12.967 10.092 -12.910 446 2HB GLU 10 1HB GLU 10 12.002 10.971 -11.723 447 1HG GLU 10 2HG GLU 10 10.524 11.328 -13.393 448 2HG GLU 10 1HG GLU 10 11.699 12.476 -14.034 449 H CYS 11 H CYS 11 15.926 12.982 -11.897 450 HA CYS 11 HA CYS 11 16.677 11.509 -9.681 451 1HB CYS 11 2HB CYS 11 17.094 14.294 -10.653 452 2HB CYS 11 1HB CYS 11 17.640 13.929 -9.013 453 H LYS 12 H LYS 12 14.290 14.097 -9.798 454 HA LYS 12 HA LYS 12 13.805 13.710 -6.861 455 1HB LYS 12 2HB LYS 12 13.401 16.084 -8.711 456 2HB LYS 12 1HB LYS 12 12.904 16.056 -7.019 457 1HG LYS 12 2HG LYS 12 14.992 16.573 -6.365 458 2HG LYS 12 1HG LYS 12 15.628 15.159 -7.205 459 1HD LYS 12 2HD LYS 12 15.496 16.538 -9.351 460 2HD LYS 12 1HD LYS 12 15.206 17.940 -8.319 461 1HE LYS 12 2HE LYS 12 17.341 17.319 -7.066 462 2HE LYS 12 1HE LYS 12 17.666 16.169 -8.378 463 1HZ LYS 12 2HZ LYS 12 17.053 19.048 -8.783 464 2HZ LYS 12 1HZ LYS 12 18.621 18.398 -8.793 465 3HZ LYS 12 3HZ LYS 12 17.503 17.927 -9.979 466 H SER 13 H SER 13 12.521 13.288 -9.997 467 HA SER 13 HA SER 13 9.700 13.614 -9.327 468 1HB SER 13 2HB SER 13 11.402 12.752 -11.603 469 2HB SER 13 1HB SER 13 9.739 12.181 -11.616 470 HG SER 13 HG SER 13 10.708 14.611 -12.189 471 H ILE 14 H ILE 14 12.003 10.967 -9.342 472 HA ILE 14 HA ILE 14 9.991 8.860 -8.985 473 HB ILE 14 HB ILE 14 12.999 9.052 -8.715 474 1HG1 ILE 14 2HG1 ILE 14 11.602 7.581 -10.902 475 2HG1 ILE 14 1HG1 ILE 14 11.594 9.340 -10.970 476 1HG2 ILE 14 1HG2 ILE 14 11.654 7.115 -7.507 477 2HG2 ILE 14 3HG2 ILE 14 11.543 6.462 -9.141 478 3HG2 ILE 14 2HG2 ILE 14 13.122 6.748 -8.412 479 1HD1 ILE 14 2HD1 ILE 14 14.067 9.341 -10.718 480 2HD1 ILE 14 1HD1 ILE 14 14.049 7.577 -10.747 481 3HD1 ILE 14 3HD1 ILE 14 13.547 8.487 -12.172 482 H VAL 15 H VAL 15 12.259 10.694 -7.009 483 HA VAL 15 HA VAL 15 11.639 9.194 -4.565 484 HB VAL 15 HB VAL 15 13.019 11.840 -4.493 485 1HG1 VAL 15 3HG1 VAL 15 13.543 9.059 -3.412 486 2HG1 VAL 15 2HG1 VAL 15 14.642 10.416 -3.171 487 3HG1 VAL 15 1HG1 VAL 15 13.009 10.476 -2.507 488 1HG2 VAL 15 2HG2 VAL 15 13.875 9.538 -6.217 489 2HG2 VAL 15 1HG2 VAL 15 14.080 11.269 -6.486 490 3HG2 VAL 15 3HG2 VAL 15 15.116 10.427 -5.334 491 H LYS 16 H LYS 16 10.489 12.053 -6.212 492 HA LYS 16 HA LYS 16 9.157 13.140 -3.816 493 1HB LYS 16 2HB LYS 16 8.275 14.783 -5.366 494 2HB LYS 16 1HB LYS 16 9.960 14.506 -5.789 495 1HG LYS 16 2HG LYS 16 8.942 14.389 -7.873 496 2HG LYS 16 1HG LYS 16 8.947 12.688 -7.407 497 1HD LYS 16 2HD LYS 16 6.708 12.701 -7.688 498 2HD LYS 16 1HD LYS 16 6.609 13.749 -6.272 499 1HE LYS 16 2HE LYS 16 6.700 15.738 -7.638 500 2HE LYS 16 1HE LYS 16 7.072 14.785 -9.089 501 1HZ LYS 16 1HZ LYS 16 4.726 13.974 -7.573 502 2HZ LYS 16 3HZ LYS 16 4.593 15.447 -8.402 503 3HZ LYS 16 2HZ LYS 16 4.966 14.025 -9.254 504 H PHE 17 H PHE 17 8.411 11.113 -6.594 505 HA PHE 17 HA PHE 17 5.564 10.882 -6.093 506 1HB PHE 17 2HB PHE 17 6.203 10.213 -8.241 507 2HB PHE 17 1HB PHE 17 7.714 9.505 -7.674 508 HD1 PHE 17 HD2 PHE 17 7.670 7.314 -6.436 509 HD2 PHE 17 HD1 PHE 17 4.220 8.893 -8.444 510 HE1 PHE 17 HE2 PHE 17 6.618 5.074 -6.380 511 HE2 PHE 17 HE1 PHE 17 3.163 6.652 -8.389 512 HZ PHE 17 HZ PHE 17 4.362 4.736 -7.357 513 H GLN 18 H GLN 18 8.508 9.334 -4.955 514 HA GLN 18 HA GLN 18 7.411 7.045 -3.645 515 1HB GLN 18 2HB GLN 18 9.842 8.774 -3.445 516 2HB GLN 18 1HB GLN 18 9.538 7.639 -2.130 517 1HG GLN 18 2HG GLN 18 9.269 5.835 -3.894 518 2HG GLN 18 1HG GLN 18 9.881 7.001 -5.068 519 1HE2 GLN 18 2HE2 GLN 18 12.931 7.083 -2.666 520 2HE2 GLN 18 1HE2 GLN 18 11.614 8.151 -2.729 521 H THR 19 H THR 19 8.024 10.350 -2.448 522 HA THR 19 HA THR 19 7.170 10.004 0.237 523 HB THR 19 HB THR 19 7.127 12.289 -1.746 524 HG1 THR 19 HG1 THR 19 9.044 11.304 -0.597 525 1HG2 THR 19 1HG2 THR 19 5.948 12.146 0.995 526 2HG2 THR 19 3HG2 THR 19 6.820 13.613 0.547 527 3HG2 THR 19 2HG2 THR 19 5.430 13.087 -0.403 528 H LYS 20 H LYS 20 5.321 10.505 -2.741 529 HA LYS 20 HA LYS 20 2.747 10.912 -1.485 530 1HB LYS 20 2HB LYS 20 3.733 10.010 -4.205 531 2HB LYS 20 1HB LYS 20 2.013 10.172 -3.849 532 1HG LYS 20 2HG LYS 20 3.496 12.507 -2.954 533 2HG LYS 20 1HG LYS 20 3.734 12.216 -4.678 534 1HD LYS 20 2HD LYS 20 1.475 12.467 -5.174 535 2HD LYS 20 1HD LYS 20 0.964 12.027 -3.546 536 1HE LYS 20 2HE LYS 20 1.376 14.159 -2.691 537 2HE LYS 20 1HE LYS 20 2.578 14.534 -3.941 538 1HZ LYS 20 1HZ LYS 20 0.724 14.347 -5.586 539 2HZ LYS 20 3HZ LYS 20 -0.360 14.291 -4.284 540 3HZ LYS 20 2HZ LYS 20 0.595 15.674 -4.532 541 H VAL 21 H VAL 21 4.649 8.148 -2.485 542 HA VAL 21 HA VAL 21 2.554 6.159 -2.026 543 HB VAL 21 HB VAL 21 5.470 6.284 -2.716 544 1HG1 VAL 21 2HG1 VAL 21 4.030 3.799 -1.748 545 2HG1 VAL 21 1HG1 VAL 21 5.561 3.778 -2.624 546 3HG1 VAL 21 3HG1 VAL 21 5.465 4.536 -1.035 547 1HG2 VAL 21 2HG2 VAL 21 3.068 5.991 -4.109 548 2HG2 VAL 21 1HG2 VAL 21 4.686 5.723 -4.756 549 3HG2 VAL 21 3HG2 VAL 21 3.764 4.371 -4.100 550 H GLU 22 H GLU 22 4.834 7.910 -0.131 551 HA GLU 22 HA GLU 22 5.142 6.000 2.041 552 1HB GLU 22 2HB GLU 22 5.787 8.847 1.393 553 2HB GLU 22 1HB GLU 22 5.806 8.388 3.095 554 1HG GLU 22 2HG GLU 22 7.252 6.380 2.329 555 2HG GLU 22 1HG GLU 22 7.481 7.296 0.838 556 H GLU 23 H GLU 23 3.172 8.932 1.510 557 HA GLU 23 HA GLU 23 1.762 8.719 4.045 558 1HB GLU 23 2HB GLU 23 0.459 10.558 3.090 559 2HB GLU 23 1HB GLU 23 2.166 10.807 2.717 560 1HG GLU 23 2HG GLU 23 1.773 9.705 0.494 561 2HG GLU 23 1HG GLU 23 0.049 9.674 0.869 562 H LEU 24 H LEU 24 1.179 7.648 0.718 563 HA LEU 24 HA LEU 24 -1.571 6.863 1.073 564 1HB LEU 24 2HB LEU 24 0.069 7.176 -1.017 565 2HB LEU 24 1HB LEU 24 0.293 5.441 -0.791 566 HG LEU 24 HG LEU 24 -1.529 5.658 -2.317 567 1HD1 LEU 24 2HD1 LEU 24 -1.805 4.197 -0.161 568 2HD1 LEU 24 1HD1 LEU 24 -3.005 5.407 0.293 569 3HD1 LEU 24 3HD1 LEU 24 -3.210 4.475 -1.190 570 1HD2 LEU 24 2HD2 LEU 24 -1.935 8.113 -0.954 571 2HD2 LEU 24 1HD2 LEU 24 -2.788 7.525 -2.382 572 3HD2 LEU 24 3HD2 LEU 24 -3.424 7.184 -0.773 573 H ILE 25 H ILE 25 1.504 5.030 1.223 574 HA ILE 25 HA ILE 25 0.404 2.488 1.855 575 HB ILE 25 HB ILE 25 2.977 3.897 1.901 576 1HG1 ILE 25 2HG1 ILE 25 3.746 1.898 0.874 577 2HG1 ILE 25 1HG1 ILE 25 2.460 0.936 1.602 578 1HG2 ILE 25 3HG2 ILE 25 2.438 1.755 3.975 579 2HG2 ILE 25 2HG2 ILE 25 4.061 2.150 3.405 580 3HG2 ILE 25 1HG2 ILE 25 3.099 3.368 4.242 581 1HD1 ILE 25 3HD1 ILE 25 1.372 3.121 0.017 582 2HD1 ILE 25 2HD1 ILE 25 2.427 2.089 -0.950 583 3HD1 ILE 25 1HD1 ILE 25 1.050 1.392 -0.097 584 H ASN 26 H ASN 26 1.276 5.240 3.947 585 HA ASN 26 HA ASN 26 0.816 3.927 6.458 586 1HB ASN 26 2HB ASN 26 1.891 6.233 5.741 587 2HB ASN 26 1HB ASN 26 0.249 6.837 5.972 588 1HD2 ASN 26 2HD2 ASN 26 0.911 7.154 9.415 589 2HD2 ASN 26 1HD2 ASN 26 0.339 7.880 7.990 590 H THR 27 H THR 27 -1.283 5.878 4.363 591 HA THR 27 HA THR 27 -3.635 5.856 5.969 592 HB THR 27 HB THR 27 -3.090 5.963 2.990 593 HG1 THR 27 HG1 THR 27 -2.449 7.646 4.612 594 1HG2 THR 27 3HG2 THR 27 -5.654 6.013 4.518 595 2HG2 THR 27 2HG2 THR 27 -5.484 7.122 3.158 596 3HG2 THR 27 1HG2 THR 27 -5.320 5.385 2.904 597 H LEU 28 H LEU 28 -2.285 3.467 3.731 598 HA LEU 28 HA LEU 28 -4.660 1.804 3.595 599 1HB LEU 28 2HB LEU 28 -1.714 1.504 2.985 600 2HB LEU 28 1HB LEU 28 -2.821 0.144 2.796 601 HG LEU 28 HG LEU 28 -3.644 2.744 1.590 602 1HD1 LEU 28 3HD1 LEU 28 -1.505 0.940 0.419 603 2HD1 LEU 28 2HD1 LEU 28 -2.315 2.242 -0.452 604 3HD1 LEU 28 1HD1 LEU 28 -1.286 2.613 0.932 605 1HD2 LEU 28 2HD2 LEU 28 -4.272 -0.082 1.423 606 2HD2 LEU 28 1HD2 LEU 28 -5.180 1.295 0.800 607 3HD2 LEU 28 3HD2 LEU 28 -3.906 0.567 -0.176 608 H GLN 29 H GLN 29 -1.607 1.599 5.438 609 HA GLN 29 HA GLN 29 -2.342 -0.740 6.952 610 1HB GLN 29 2HB GLN 29 -0.081 0.563 6.440 611 2HB GLN 29 1HB GLN 29 -0.485 1.398 7.939 612 1HG GLN 29 2HG GLN 29 -0.928 -1.172 8.695 613 2HG GLN 29 1HG GLN 29 0.359 -1.412 7.513 614 1HE2 GLN 29 2HE2 GLN 29 2.859 0.116 9.518 615 2HE2 GLN 29 1HE2 GLN 29 2.470 -0.492 7.981 616 H GLN 30 H GLN 30 -3.309 2.535 7.059 617 HA GLN 30 HA GLN 30 -3.950 2.645 9.920 618 1HB GLN 30 2HB GLN 30 -4.372 4.350 7.464 619 2HB GLN 30 1HB GLN 30 -5.124 4.780 9.000 620 1HG GLN 30 2HG GLN 30 -2.335 4.074 9.365 621 2HG GLN 30 1HG GLN 30 -2.513 5.382 8.200 622 1HE2 GLN 30 2HE2 GLN 30 -2.442 6.820 11.683 623 2HE2 GLN 30 1HE2 GLN 30 -1.382 5.819 10.812 624 H LYS 31 H LYS 31 -5.787 2.553 6.862 625 HA LYS 31 HA LYS 31 -8.366 2.170 8.104 626 1HB LYS 31 2HB LYS 31 -7.112 2.204 5.435 627 2HB LYS 31 1HB LYS 31 -8.506 1.128 5.546 628 1HG LYS 31 2HG LYS 31 -9.875 2.957 6.442 629 2HG LYS 31 1HG LYS 31 -8.482 4.036 6.401 630 1HD LYS 31 2HD LYS 31 -8.336 3.627 3.918 631 2HD LYS 31 1HD LYS 31 -9.865 2.754 4.032 632 1HE LYS 31 2HE LYS 31 -9.669 5.531 5.181 633 2HE LYS 31 1HE LYS 31 -9.920 5.313 3.437 634 1HZ LYS 31 2HZ LYS 31 -11.497 3.763 5.394 635 2HZ LYS 31 1HZ LYS 31 -11.974 5.336 4.965 636 3HZ LYS 31 3HZ LYS 31 -11.869 4.130 3.777 637 H LEU 32 H LEU 32 -5.661 0.136 7.536 638 HA LEU 32 HA LEU 32 -7.131 -2.397 7.454 639 1HB LEU 32 2HB LEU 32 -4.811 -1.647 6.466 640 2HB LEU 32 1HB LEU 32 -4.208 -2.028 8.078 641 HG LEU 32 HG LEU 32 -4.999 -4.305 7.905 642 1HD1 LEU 32 3HD1 LEU 32 -6.469 -3.180 5.562 643 2HD1 LEU 32 2HD1 LEU 32 -5.924 -4.854 5.449 644 3HD1 LEU 32 1HD1 LEU 32 -6.998 -4.362 6.759 645 1HD2 LEU 32 1HD2 LEU 32 -3.426 -3.197 5.599 646 2HD2 LEU 32 3HD2 LEU 32 -2.878 -4.213 6.931 647 3HD2 LEU 32 2HD2 LEU 32 -3.832 -4.912 5.622 648 H GLU 33 H GLU 33 -5.027 -0.701 9.821 649 HA GLU 33 HA GLU 33 -5.409 -2.638 11.929 650 1HB GLU 33 2HB GLU 33 -3.535 -1.042 11.827 651 2HB GLU 33 1HB GLU 33 -4.662 0.310 11.946 652 1HG GLU 33 2HG GLU 33 -5.133 -0.098 14.185 653 2HG GLU 33 1HG GLU 33 -4.715 -1.809 14.068 654 H ALA 34 H ALA 34 -7.355 -0.103 10.642 655 HA ALA 34 HA ALA 34 -9.057 0.123 13.058 656 1HB ALA 34 3HB ALA 34 -8.601 1.520 10.486 657 2HB ALA 34 2HB ALA 34 -10.284 1.488 11.010 658 3HB ALA 34 1HB ALA 34 -9.047 2.189 12.055 659 H VAL 35 H VAL 35 -8.972 -1.285 9.844 660 HA VAL 35 HA VAL 35 -11.698 -2.158 9.668 661 HB VAL 35 HB VAL 35 -9.068 -2.600 8.377 662 1HG1 VAL 35 3HG1 VAL 35 -9.744 -4.942 8.901 663 2HG1 VAL 35 2HG1 VAL 35 -11.263 -4.664 8.048 664 3HG1 VAL 35 1HG1 VAL 35 -9.735 -4.609 7.169 665 1HG2 VAL 35 1HG2 VAL 35 -10.867 -1.060 7.565 666 2HG2 VAL 35 3HG2 VAL 35 -10.387 -2.258 6.363 667 3HG2 VAL 35 2HG2 VAL 35 -11.886 -2.468 7.267 668 H ALA 36 H ALA 36 -8.754 -3.565 11.084 669 HA ALA 36 HA ALA 36 -9.965 -6.117 11.764 670 1HB ALA 36 3HB ALA 36 -7.490 -5.452 11.490 671 2HB ALA 36 2HB ALA 36 -7.620 -4.742 13.098 672 3HB ALA 36 1HB ALA 36 -7.875 -6.473 12.875 673 H LYS 37 H LYS 37 -9.769 -2.940 13.229 674 HA LYS 37 HA LYS 37 -10.641 -3.800 15.886 675 1HB LYS 37 2HB LYS 37 -9.900 -1.340 14.423 676 2HB LYS 37 1HB LYS 37 -11.112 -1.095 15.680 677 1HG LYS 37 2HG LYS 37 -9.646 -1.557 17.367 678 2HG LYS 37 1HG LYS 37 -8.831 -2.822 16.444 679 1HD LYS 37 2HD LYS 37 -7.266 -1.388 15.644 680 2HD LYS 37 1HD LYS 37 -8.461 -0.131 15.324 681 1HE LYS 37 2HE LYS 37 -7.071 0.771 17.047 682 2HE LYS 37 1HE LYS 37 -8.520 0.199 17.898 683 1HZ LYS 37 3HZ LYS 37 -7.346 -1.979 18.138 684 2HZ LYS 37 2HZ LYS 37 -5.931 -1.219 17.584 685 3HZ LYS 37 1HZ LYS 37 -6.661 -0.711 19.031 686 H ARG 38 H ARG 38 -12.164 -3.145 12.869 687 HA ARG 38 HA ARG 38 -14.786 -2.500 14.065 688 1HB ARG 38 2HB ARG 38 -13.795 -2.996 11.235 689 2HB ARG 38 1HB ARG 38 -15.425 -2.461 11.640 690 1HG ARG 38 2HG ARG 38 -13.044 -0.933 12.661 691 2HG ARG 38 1HG ARG 38 -13.629 -0.663 11.019 692 1HD ARG 38 2HD ARG 38 -15.898 -0.689 12.779 693 2HD ARG 38 1HD ARG 38 -14.686 0.429 13.432 694 HE ARG 38 HE ARG 38 -14.729 0.900 10.666 695 1HH1 ARG 38 2HH1 ARG 38 -17.641 0.213 11.947 696 2HH1 ARG 38 1HH1 ARG 38 -18.302 1.813 11.882 697 1HH2 ARG 38 1HH2 ARG 38 -15.268 3.326 11.167 698 2HH2 ARG 38 2HH2 ARG 38 -16.961 3.572 11.435 699 H ILE 39 H ILE 39 -13.143 -5.132 12.348 700 HA ILE 39 HA ILE 39 -15.364 -6.945 12.249 701 HB ILE 39 HB ILE 39 -12.352 -7.305 12.296 702 1HG1 ILE 39 2HG1 ILE 39 -14.477 -7.043 10.174 703 2HG1 ILE 39 1HG1 ILE 39 -12.931 -6.208 10.299 704 1HG2 ILE 39 2HG2 ILE 39 -13.999 -9.303 12.998 705 2HG2 ILE 39 1HG2 ILE 39 -14.177 -9.428 11.250 706 3HG2 ILE 39 3HG2 ILE 39 -12.584 -9.582 11.988 707 1HD1 ILE 39 1HD1 ILE 39 -11.931 -8.631 10.039 708 2HD1 ILE 39 3HD1 ILE 39 -13.507 -8.992 9.333 709 3HD1 ILE 39 2HD1 ILE 39 -12.479 -7.750 8.615 710 H GLU 40 H GLU 40 -12.751 -6.448 14.628 711 HA GLU 40 HA GLU 40 -13.464 -8.560 16.411 712 1HB GLU 40 2HB GLU 40 -12.041 -7.376 17.942 713 2HB GLU 40 1HB GLU 40 -11.390 -7.048 16.337 714 1HG GLU 40 2HG GLU 40 -11.458 -4.896 17.182 715 2HG GLU 40 1HG GLU 40 -13.060 -4.994 16.456 716 H ALA 41 H ALA 41 -14.753 -5.362 15.836 717 HA ALA 41 HA ALA 41 -16.346 -5.060 18.201 718 1HB ALA 41 3HB ALA 41 -15.714 -3.455 16.208 719 2HB ALA 41 2HB ALA 41 -17.172 -4.111 15.463 720 3HB ALA 41 1HB ALA 41 -17.277 -3.257 17.003 721 H LEU 42 H LEU 42 -16.955 -6.546 15.032 722 HA LEU 42 HA LEU 42 -19.686 -7.346 15.648 723 1HB LEU 42 2HB LEU 42 -17.618 -8.174 13.585 724 2HB LEU 42 1HB LEU 42 -19.262 -8.793 13.589 725 HG LEU 42 HG LEU 42 -19.782 -7.017 12.288 726 1HD1 LEU 42 3HD1 LEU 42 -20.678 -6.192 14.454 727 2HD1 LEU 42 2HD1 LEU 42 -19.151 -5.364 14.754 728 3HD1 LEU 42 1HD1 LEU 42 -20.172 -4.867 13.405 729 1HD2 LEU 42 1HD2 LEU 42 -16.996 -6.372 12.960 730 2HD2 LEU 42 3HD2 LEU 42 -17.828 -6.294 11.408 731 3HD2 LEU 42 2HD2 LEU 42 -17.977 -4.963 12.556 732 H GLU 43 H GLU 43 -16.480 -8.666 16.133 733 HA GLU 43 HA GLU 43 -17.270 -11.401 16.666 734 1HB GLU 43 2HB GLU 43 -14.882 -9.723 17.506 735 2HB GLU 43 1HB GLU 43 -14.958 -11.486 17.578 736 1HG GLU 43 2HG GLU 43 -15.775 -10.882 14.988 737 2HG GLU 43 1HG GLU 43 -14.455 -9.754 15.295 738 H ASN 44 H ASN 44 -17.499 -8.447 18.387 739 HA ASN 44 HA ASN 44 -17.452 -9.550 21.092 740 1HB ASN 44 2HB ASN 44 -18.291 -6.961 19.772 741 2HB ASN 44 1HB ASN 44 -18.549 -7.229 21.496 742 1HD2 ASN 44 2HD2 ASN 44 -14.947 -7.443 22.141 743 2HD2 ASN 44 1HD2 ASN 44 -16.367 -8.282 22.543 744 H LYS 45 H LYS 45 -19.710 -9.409 18.506 745 HA LYS 45 HA LYS 45 -21.980 -10.058 20.352 746 1HB LYS 45 2HB LYS 45 -21.757 -8.783 17.616 747 2HB LYS 45 1HB LYS 45 -23.296 -9.392 18.227 748 1HG LYS 45 2HG LYS 45 -23.069 -6.998 18.732 749 2HG LYS 45 1HG LYS 45 -23.068 -7.942 20.222 750 1HD LYS 45 2HD LYS 45 -20.853 -7.504 20.660 751 2HD LYS 45 1HD LYS 45 -20.423 -7.436 18.951 752 1HE LYS 45 2HE LYS 45 -20.316 -5.173 19.360 753 2HE LYS 45 1HE LYS 45 -22.075 -5.262 19.142 754 1HZ LYS 45 2HZ LYS 45 -20.846 -5.888 21.750 755 2HZ LYS 45 1HZ LYS 45 -21.176 -4.276 21.325 756 3HZ LYS 45 3HZ LYS 45 -22.440 -5.405 21.413 757 H ILE 46 H ILE 46 -19.939 -11.218 17.775 758 HA ILE 46 HA ILE 46 -21.770 -13.499 17.209 759 HB ILE 46 HB ILE 46 -19.136 -12.628 15.963 760 1HG1 ILE 46 2HG1 ILE 46 -20.551 -10.943 15.227 761 2HG1 ILE 46 1HG1 ILE 46 -20.912 -12.171 14.021 762 1HG2 ILE 46 2HG2 ILE 46 -21.155 -14.768 15.282 763 2HG2 ILE 46 1HG2 ILE 46 -20.041 -14.124 14.075 764 3HG2 ILE 46 3HG2 ILE 46 -19.414 -14.940 15.509 765 1HD1 ILE 46 1HD1 ILE 46 -22.851 -12.921 15.378 766 2HD1 ILE 46 3HD1 ILE 46 -22.512 -11.643 16.544 767 3HD1 ILE 46 2HD1 ILE 46 -22.998 -11.230 14.902 768 H ILE 47 HN ILE 47 -19.036 -12.685 19.119 769 HA ILE 47 HA ILE 47 -17.468 -15.010 19.177 770 HB ILE 47 HB ILE 47 -16.850 -13.077 20.435 771 1HG1 ILE 47 2HG1 ILE 47 -17.773 -14.917 22.636 772 2HG1 ILE 47 1HG1 ILE 47 -16.533 -15.444 21.498 773 1HG2 ILE 47 1HG2 ILE 47 -19.616 -13.366 21.579 774 2HG2 ILE 47 3HG2 ILE 47 -18.377 -12.495 22.482 775 3HG2 ILE 47 2HG2 ILE 47 -18.850 -11.942 20.875 776 1HD1 ILE 47 1HD1 ILE 47 -16.014 -12.748 22.470 777 2HD1 ILE 47 3HD1 ILE 47 -16.117 -13.907 23.795 778 3HD1 ILE 47 2HD1 ILE 47 -14.961 -14.163 22.489 779 1H GLY 1 2H GLY 1 39.786 20.639 -9.063 780 2H GLY 1 1H GLY 1 38.898 20.246 -10.458 781 3H GLY 1 3H GLY 1 40.401 21.018 -10.601 782 1HA GLY 1 2HA GLY 1 39.582 23.030 -9.702 783 2HA GLY 1 1HA GLY 1 38.438 22.500 -10.935 784 H SER 2 H SER 2 36.969 20.582 -9.715 785 HA SER 2 HA SER 2 35.885 21.905 -7.250 786 1HB SER 2 2HB SER 2 34.704 22.159 -9.585 787 2HB SER 2 1HB SER 2 34.177 20.503 -9.295 788 HG SER 2 HG SER 2 33.212 21.186 -7.389 789 H HIS 3 H HIS 3 34.803 20.423 -5.773 790 HA HIS 3 HA HIS 3 34.831 17.540 -6.287 791 1HB HIS 3 2HB HIS 3 36.971 18.974 -4.769 792 2HB HIS 3 1HB HIS 3 36.449 17.402 -4.161 793 HD1 HIS 3 HD1 HIS 3 36.334 15.481 -6.181 794 HD2 HIS 3 HD2 HIS 3 38.870 18.738 -6.759 795 HE1 HIS 3 HE1 HIS 3 37.983 14.795 -7.977 796 H MET 4 H MET 4 32.563 18.021 -5.659 797 HA MET 4 HA MET 4 32.097 17.576 -2.816 798 1HB MET 4 2HB MET 4 32.569 20.174 -3.537 799 2HB MET 4 1HB MET 4 30.815 20.091 -3.707 800 1HG MET 4 2HG MET 4 30.485 19.899 -1.465 801 2HG MET 4 1HG MET 4 31.859 18.812 -1.262 802 1HE MET 4 1HE MET 4 33.396 19.358 0.294 803 2HE MET 4 3HE MET 4 33.778 20.957 0.948 804 3HE MET 4 2HE MET 4 32.159 20.287 1.136 805 H GLU 5 H GLU 5 30.538 16.017 -3.128 806 HA GLU 5 HA GLU 5 28.123 16.774 -4.712 807 1HB GLU 5 2HB GLU 5 30.147 15.093 -5.605 808 2HB GLU 5 1HB GLU 5 28.938 13.971 -4.981 809 1HG GLU 5 2HG GLU 5 27.823 14.256 -6.921 810 2HG GLU 5 1HG GLU 5 27.452 15.889 -6.370 811 H GLU 6 H GLU 6 29.368 13.929 -2.914 812 HA GLU 6 HA GLU 6 28.347 12.648 -1.210 813 1HB GLU 6 2HB GLU 6 27.154 15.340 -0.491 814 2HB GLU 6 1HB GLU 6 27.563 14.021 0.608 815 1HG GLU 6 2HG GLU 6 29.887 14.723 -0.943 816 2HG GLU 6 1HG GLU 6 29.225 16.175 -0.190 817 H ASP 7 H ASP 7 26.800 11.304 -2.148 818 HA ASP 7 HA ASP 7 24.677 10.593 -2.923 819 1HB ASP 7 2HB ASP 7 24.270 10.939 -0.546 820 2HB ASP 7 1HB ASP 7 24.025 12.666 -0.807 821 HA PRO 8 HA PRO 8 24.115 14.167 -5.716 822 1HB PRO 8 2HB PRO 8 24.094 12.688 -8.018 823 2HB PRO 8 1HB PRO 8 25.584 13.264 -7.246 824 1HG PRO 8 2HG PRO 8 24.378 10.559 -7.240 825 2HG PRO 8 1HG PRO 8 26.079 11.043 -7.201 826 1HD PRO 8 2HD PRO 8 24.608 10.186 -5.012 827 2HD PRO 8 1HD PRO 8 26.122 11.111 -4.935 828 H CYS 9 H CYS 9 22.642 11.115 -6.896 829 HA CYS 9 HA CYS 9 19.964 12.435 -6.609 830 1HB CYS 9 2HB CYS 9 21.310 10.854 -8.774 831 2HB CYS 9 1HB CYS 9 19.554 10.766 -8.627 832 H GLU 10 H GLU 10 21.131 10.775 -4.540 833 HA GLU 10 HA GLU 10 20.744 8.767 -3.331 834 1HB GLU 10 2HB GLU 10 18.134 9.813 -4.415 835 2HB GLU 10 1HB GLU 10 18.161 8.386 -3.379 836 1HG GLU 10 2HG GLU 10 18.076 9.884 -1.674 837 2HG GLU 10 1HG GLU 10 19.799 10.084 -1.992 838 H CYS 11 H CYS 11 21.768 8.130 -5.902 839 HA CYS 11 HA CYS 11 20.335 6.475 -7.597 840 1HB CYS 11 2HB CYS 11 23.134 6.626 -6.587 841 2HB CYS 11 1HB CYS 11 22.690 5.188 -7.515 842 H LYS 12 H LYS 12 21.423 5.751 -4.331 843 HA LYS 12 HA LYS 12 20.190 3.026 -4.584 844 1HB LYS 12 2HB LYS 12 22.469 4.107 -2.900 845 2HB LYS 12 1HB LYS 12 21.796 2.487 -2.707 846 1HG LYS 12 2HG LYS 12 23.011 1.728 -4.440 847 2HG LYS 12 1HG LYS 12 22.338 2.971 -5.494 848 1HD LYS 12 2HD LYS 12 24.008 4.587 -4.439 849 2HD LYS 12 1HD LYS 12 24.782 3.172 -3.724 850 1HE LYS 12 2HE LYS 12 25.056 2.199 -6.009 851 2HE LYS 12 1HE LYS 12 24.378 3.691 -6.692 852 1HZ LYS 12 3HZ LYS 12 26.084 4.933 -5.432 853 2HZ LYS 12 2HZ LYS 12 26.789 3.458 -4.969 854 3HZ LYS 12 1HZ LYS 12 26.752 3.907 -6.607 855 H SER 13 H SER 13 19.960 6.093 -3.110 856 HA SER 13 HA SER 13 18.754 5.250 -0.589 857 1HB SER 13 2HB SER 13 19.376 7.736 -2.093 858 2HB SER 13 1HB SER 13 18.115 7.862 -0.876 859 HG SER 13 HG SER 13 20.797 6.988 -0.564 860 H ILE 14 H ILE 14 17.591 6.134 -3.781 861 HA ILE 14 HA ILE 14 14.773 6.348 -2.999 862 HB ILE 14 HB ILE 14 16.280 6.116 -5.613 863 1HG1 ILE 14 2HG1 ILE 14 14.913 8.597 -4.670 864 2HG1 ILE 14 1HG1 ILE 14 16.428 8.149 -3.895 865 1HG2 ILE 14 1HG2 ILE 14 13.721 5.478 -5.490 866 2HG2 ILE 14 3HG2 ILE 14 13.498 7.225 -5.388 867 3HG2 ILE 14 2HG2 ILE 14 14.308 6.518 -6.787 868 1HD1 ILE 14 2HD1 ILE 14 17.494 7.975 -6.140 869 2HD1 ILE 14 1HD1 ILE 14 15.988 8.532 -6.870 870 3HD1 ILE 14 3HD1 ILE 14 16.899 9.601 -5.804 871 H VAL 15 H VAL 15 16.886 3.988 -4.553 872 HA VAL 15 HA VAL 15 14.717 2.083 -5.048 873 HB VAL 15 HB VAL 15 17.596 1.282 -5.127 874 1HG1 VAL 15 3HG1 VAL 15 15.157 1.010 -6.895 875 2HG1 VAL 15 2HG1 VAL 15 16.764 0.522 -7.434 876 3HG1 VAL 15 1HG1 VAL 15 16.026 -0.263 -6.037 877 1HG2 VAL 15 2HG2 VAL 15 16.426 3.602 -6.635 878 2HG2 VAL 15 1HG2 VAL 15 18.062 3.393 -6.009 879 3HG2 VAL 15 3HG2 VAL 15 17.560 2.541 -7.469 880 H LYS 16 H LYS 16 17.030 2.757 -2.509 881 HA LYS 16 HA LYS 16 16.723 0.110 -1.253 882 1HB LYS 16 2HB LYS 16 18.084 1.066 0.506 883 2HB LYS 16 1HB LYS 16 18.743 1.620 -1.029 884 1HG LYS 16 2HG LYS 16 18.674 3.599 0.189 885 2HG LYS 16 1HG LYS 16 17.127 3.663 -0.652 886 1HD LYS 16 2HD LYS 16 16.152 3.846 1.377 887 2HD LYS 16 1HD LYS 16 16.615 2.168 1.659 888 1HE LYS 16 2HE LYS 16 18.598 2.786 2.809 889 2HE LYS 16 1HE LYS 16 18.541 4.446 2.182 890 1HZ LYS 16 1HZ LYS 16 16.209 3.463 3.645 891 2HZ LYS 16 3HZ LYS 16 17.589 3.837 4.557 892 3HZ LYS 16 2HZ LYS 16 16.867 5.027 3.584 893 H PHE 17 H PHE 17 15.346 3.347 -1.004 894 HA PHE 17 HA PHE 17 13.674 2.816 1.303 895 1HB PHE 17 2HB PHE 17 13.905 5.092 0.855 896 2HB PHE 17 1HB PHE 17 13.937 4.843 -0.891 897 HD1 PHE 17 HD2 PHE 17 11.792 4.243 -2.083 898 HD2 PHE 17 HD1 PHE 17 11.861 5.635 1.979 899 HE1 PHE 17 HE2 PHE 17 9.382 4.790 -2.236 900 HE2 PHE 17 HE1 PHE 17 9.446 6.181 1.828 901 HZ PHE 17 HZ PHE 17 8.206 5.758 -0.280 902 H GLN 18 H GLN 18 13.494 2.274 -2.165 903 HA GLN 18 HA GLN 18 10.707 1.694 -2.436 904 1HB GLN 18 2HB GLN 18 13.263 1.062 -3.852 905 2HB GLN 18 1HB GLN 18 11.834 0.133 -4.301 906 1HG GLN 18 2HG GLN 18 10.625 2.381 -4.528 907 2HG GLN 18 1HG GLN 18 12.220 3.127 -4.441 908 1HE2 GLN 18 2HE2 GLN 18 12.918 0.829 -7.493 909 2HE2 GLN 18 1HE2 GLN 18 13.275 0.539 -5.860 910 H THR 19 H THR 19 13.489 -0.404 -1.693 911 HA THR 19 HA THR 19 12.130 -2.894 -1.530 912 HB THR 19 HB THR 19 14.529 -1.662 -0.157 913 HG1 THR 19 HG1 THR 19 14.320 -2.405 -2.471 914 1HG2 THR 19 1HG2 THR 19 13.201 -4.294 0.338 915 2HG2 THR 19 3HG2 THR 19 14.963 -4.232 0.338 916 3HG2 THR 19 2HG2 THR 19 14.045 -3.236 1.467 917 H LYS 20 H LYS 20 12.411 -0.233 0.794 918 HA LYS 20 HA LYS 20 11.240 -1.620 3.047 919 1HB LYS 20 2HB LYS 20 11.646 1.260 2.207 920 2HB LYS 20 1HB LYS 20 10.834 0.856 3.721 921 1HG LYS 20 2HG LYS 20 13.295 -0.672 3.354 922 2HG LYS 20 1HG LYS 20 13.588 1.068 3.356 923 1HD LYS 20 2HD LYS 20 12.772 1.339 5.521 924 2HD LYS 20 1HD LYS 20 11.775 -0.114 5.435 925 1HE LYS 20 2HE LYS 20 13.557 -1.530 5.927 926 2HE LYS 20 1HE LYS 20 14.761 -0.408 5.262 927 1HZ LYS 20 1HZ LYS 20 14.049 1.160 7.081 928 2HZ LYS 20 3HZ LYS 20 13.238 -0.150 7.792 929 3HZ LYS 20 2HZ LYS 20 14.925 -0.204 7.591 930 H VAL 21 H VAL 21 10.023 0.164 0.293 931 HA VAL 21 HA VAL 21 7.247 0.243 1.227 932 HB VAL 21 HB VAL 21 8.870 0.997 -1.177 933 1HG1 VAL 21 2HG1 VAL 21 5.867 0.626 -1.159 934 2HG1 VAL 21 1HG1 VAL 21 6.699 1.662 -2.319 935 3HG1 VAL 21 3HG1 VAL 21 7.031 -0.070 -2.287 936 1HG2 VAL 21 2HG2 VAL 21 7.795 2.296 1.056 937 2HG2 VAL 21 1HG2 VAL 21 8.506 3.068 -0.361 938 3HG2 VAL 21 3HG2 VAL 21 6.764 2.795 -0.287 939 H GLU 22 H GLU 22 9.339 -1.999 -0.330 940 HA GLU 22 HA GLU 22 7.329 -3.508 -1.799 941 1HB GLU 22 2HB GLU 22 10.209 -3.700 -1.022 942 2HB GLU 22 1HB GLU 22 9.410 -5.189 -1.519 943 1HG GLU 22 2HG GLU 22 8.565 -3.839 -3.551 944 2HG GLU 22 1HG GLU 22 9.786 -2.647 -3.103 945 H GLU 23 H GLU 23 9.042 -3.935 1.308 946 HA GLU 23 HA GLU 23 7.587 -6.347 2.039 947 1HB GLU 23 2HB GLU 23 8.772 -6.020 4.160 948 2HB GLU 23 1HB GLU 23 9.873 -5.673 2.826 949 1HG GLU 23 2HG GLU 23 9.270 -3.238 3.060 950 2HG GLU 23 1HG GLU 23 8.370 -3.659 4.518 951 H LEU 24 H LEU 24 7.192 -2.874 2.604 952 HA LEU 24 HA LEU 24 5.147 -3.067 4.634 953 1HB LEU 24 2HB LEU 24 6.690 -1.109 3.653 954 2HB LEU 24 1HB LEU 24 5.262 -0.819 2.660 955 HG LEU 24 HG LEU 24 4.976 0.526 4.610 956 1HD1 LEU 24 2HD1 LEU 24 3.070 -1.092 3.867 957 2HD1 LEU 24 1HD1 LEU 24 3.437 -1.950 5.365 958 3HD1 LEU 24 3HD1 LEU 24 2.919 -0.265 5.418 959 1HD2 LEU 24 2HD2 LEU 24 6.473 -1.593 5.839 960 2HD2 LEU 24 1HD2 LEU 24 6.083 -0.005 6.498 961 3HD2 LEU 24 3HD2 LEU 24 4.981 -1.356 6.748 962 H ILE 25 H ILE 25 5.017 -2.591 1.089 963 HA ILE 25 HA ILE 25 2.189 -2.495 0.821 964 HB ILE 25 HB ILE 25 4.596 -2.811 -0.812 965 1HG1 ILE 25 2HG1 ILE 25 3.491 -1.237 -2.205 966 2HG1 ILE 25 1HG1 ILE 25 1.898 -1.734 -1.640 967 1HG2 ILE 25 3HG2 ILE 25 2.088 -4.283 -1.635 968 2HG2 ILE 25 2HG2 ILE 25 3.256 -3.690 -2.814 969 3HG2 ILE 25 1HG2 ILE 25 3.745 -4.885 -1.613 970 1HD1 ILE 25 3HD1 ILE 25 3.573 -0.877 0.574 971 2HD1 ILE 25 2HD1 ILE 25 3.429 0.391 -0.643 972 3HD1 ILE 25 1HD1 ILE 25 1.980 -0.295 0.093 973 H ASN 26 H ASN 26 4.427 -5.277 0.921 974 HA ASN 26 HA ASN 26 2.479 -7.302 0.312 975 1HB ASN 26 2HB ASN 26 5.117 -7.267 0.495 976 2HB ASN 26 1HB ASN 26 4.802 -7.720 2.170 977 1HD2 ASN 26 2HD2 ASN 26 4.508 -11.084 1.182 978 2HD2 ASN 26 1HD2 ASN 26 5.172 -9.952 2.259 979 H THR 27 H THR 27 3.659 -5.935 3.366 980 HA THR 27 HA THR 27 2.156 -7.570 5.162 981 HB THR 27 HB THR 27 3.238 -4.740 5.256 982 HG1 THR 27 HG1 THR 27 4.582 -6.744 5.118 983 1HG2 THR 27 3HG2 THR 27 1.620 -6.268 7.210 984 2HG2 THR 27 2HG2 THR 27 3.065 -5.492 7.861 985 3HG2 THR 27 1HG2 THR 27 1.837 -4.525 7.044 986 H LEU 28 H LEU 28 1.313 -4.682 3.311 987 HA LEU 28 HA LEU 28 -1.178 -4.137 4.698 988 1HB LEU 28 2HB LEU 28 0.116 -3.360 2.079 989 2HB LEU 28 1HB LEU 28 -1.517 -2.822 2.475 990 HG LEU 28 HG LEU 28 0.581 -2.466 4.565 991 1HD1 LEU 28 3HD1 LEU 28 0.331 -0.698 2.111 992 2HD1 LEU 28 2HD1 LEU 28 1.308 -0.339 3.535 993 3HD1 LEU 28 1HD1 LEU 28 1.717 -1.712 2.506 994 1HD2 LEU 28 2HD2 LEU 28 -2.077 -1.538 3.925 995 2HD2 LEU 28 1HD2 LEU 28 -1.162 -1.320 5.416 996 3HD2 LEU 28 3HD2 LEU 28 -0.992 -0.159 4.100 997 H GLN 29 H GLN 29 -0.346 -5.773 1.632 998 HA GLN 29 HA GLN 29 -3.060 -6.535 0.992 999 1HB GLN 29 2HB GLN 29 -0.773 -6.365 -0.359 1000 2HB GLN 29 1HB GLN 29 -0.631 -8.056 0.114 1001 1HG GLN 29 2HG GLN 29 -3.206 -8.032 -0.727 1002 2HG GLN 29 1HG GLN 29 -2.538 -6.774 -1.766 1003 1HE2 GLN 29 2HE2 GLN 29 -0.525 -9.025 -3.657 1004 2HE2 GLN 29 1HE2 GLN 29 -0.803 -7.396 -3.271 1005 H GLN 30 H GLN 30 -0.791 -7.606 3.292 1006 HA GLN 30 HA GLN 30 -1.689 -10.400 3.433 1007 1HB GLN 30 2HB GLN 30 0.168 -8.568 4.952 1008 2HB GLN 30 1HB GLN 30 -0.194 -10.184 5.553 1009 1HG GLN 30 2HG GLN 30 0.420 -10.226 2.716 1010 2HG GLN 30 1HG GLN 30 1.735 -9.517 3.649 1011 1HE2 GLN 30 2HE2 GLN 30 2.180 -13.240 3.638 1012 2HE2 GLN 30 1HE2 GLN 30 2.100 -12.050 2.430 1013 H LYS 31 H LYS 31 -1.874 -7.503 5.518 1014 HA LYS 31 HA LYS 31 -3.711 -8.669 7.418 1015 1HB LYS 31 2HB LYS 31 -2.472 -6.068 6.768 1016 2HB LYS 31 1HB LYS 31 -4.060 -5.936 7.526 1017 1HG LYS 31 2HG LYS 31 -3.335 -7.339 9.383 1018 2HG LYS 31 1HG LYS 31 -1.769 -7.598 8.610 1019 1HD LYS 31 2HD LYS 31 -1.388 -5.118 8.693 1020 2HD LYS 31 1HD LYS 31 -2.878 -4.966 9.626 1021 1HE LYS 31 2HE LYS 31 -0.713 -6.871 10.519 1022 2HE LYS 31 1HE LYS 31 -0.650 -5.151 10.957 1023 1HZ LYS 31 2HZ LYS 31 -3.187 -6.607 11.241 1024 2HZ LYS 31 1HZ LYS 31 -1.991 -6.819 12.430 1025 3HZ LYS 31 3HZ LYS 31 -2.608 -5.271 12.118 1026 H LEU 32 H LEU 32 -4.028 -7.405 4.238 1027 HA LEU 32 HA LEU 32 -6.847 -6.645 4.436 1028 1HB LEU 32 2HB LEU 32 -4.891 -5.840 2.868 1029 2HB LEU 32 1HB LEU 32 -5.336 -7.249 1.904 1030 HG LEU 32 HG LEU 32 -7.607 -6.447 1.666 1031 1HD1 LEU 32 3HD1 LEU 32 -6.705 -4.448 3.728 1032 2HD1 LEU 32 2HD1 LEU 32 -8.019 -4.042 2.624 1033 3HD1 LEU 32 1HD1 LEU 32 -8.169 -5.431 3.701 1034 1HD2 LEU 32 1HD2 LEU 32 -5.399 -4.470 1.115 1035 2HD2 LEU 32 3HD2 LEU 32 -6.273 -5.498 -0.021 1036 3HD2 LEU 32 2HD2 LEU 32 -7.067 -4.089 0.683 1037 H GLU 33 H GLU 33 -5.007 -9.328 2.915 1038 HA GLU 33 HA GLU 33 -7.347 -10.778 2.050 1039 1HB GLU 33 2HB GLU 33 -5.071 -11.066 1.126 1040 2HB GLU 33 1HB GLU 33 -4.510 -11.670 2.686 1041 1HG GLU 33 2HG GLU 33 -5.701 -13.672 2.491 1042 2HG GLU 33 1HG GLU 33 -6.847 -12.993 1.335 1043 H ALA 34 H ALA 34 -5.776 -10.375 5.089 1044 HA ALA 34 HA ALA 34 -6.949 -12.809 6.293 1045 1HB ALA 34 3HB ALA 34 -4.983 -10.678 6.965 1046 2HB ALA 34 2HB ALA 34 -5.884 -11.338 8.329 1047 3HB ALA 34 1HB ALA 34 -4.917 -12.406 7.311 1048 H VAL 35 H VAL 35 -7.357 -9.326 6.156 1049 HA VAL 35 HA VAL 35 -9.354 -9.023 8.190 1050 HB VAL 35 HB VAL 35 -8.164 -7.552 5.910 1051 1HG1 VAL 35 3HG1 VAL 35 -10.607 -7.400 5.384 1052 2HG1 VAL 35 2HG1 VAL 35 -10.867 -6.695 6.979 1053 3HG1 VAL 35 1HG1 VAL 35 -9.885 -5.843 5.788 1054 1HG2 VAL 35 1HG2 VAL 35 -7.494 -7.285 8.285 1055 2HG2 VAL 35 3HG2 VAL 35 -8.071 -5.770 7.592 1056 3HG2 VAL 35 2HG2 VAL 35 -9.115 -6.706 8.661 1057 H ALA 36 H ALA 36 -9.485 -9.820 4.725 1058 HA ALA 36 HA ALA 36 -12.379 -9.785 4.532 1059 1HB ALA 36 3HB ALA 36 -10.587 -9.602 2.697 1060 2HB ALA 36 2HB ALA 36 -10.398 -11.348 2.855 1061 3HB ALA 36 1HB ALA 36 -11.945 -10.671 2.345 1062 H LYS 37 H LYS 37 -9.961 -12.102 5.556 1063 HA LYS 37 HA LYS 37 -11.756 -14.415 5.442 1064 1HB LYS 37 2HB LYS 37 -8.963 -13.742 6.148 1065 2HB LYS 37 1HB LYS 37 -9.649 -15.071 7.085 1066 1HG LYS 37 2HG LYS 37 -9.779 -16.455 5.274 1067 2HG LYS 37 1HG LYS 37 -10.198 -15.141 4.173 1068 1HD LYS 37 2HD LYS 37 -8.043 -14.839 3.563 1069 2HD LYS 37 1HD LYS 37 -7.489 -14.877 5.238 1070 1HE LYS 37 2HE LYS 37 -6.481 -16.799 4.269 1071 2HE LYS 37 1HE LYS 37 -7.921 -17.453 5.074 1072 1HZ LYS 37 3HZ LYS 37 -9.152 -17.204 3.012 1073 2HZ LYS 37 2HZ LYS 37 -7.774 -16.588 2.234 1074 3HZ LYS 37 1HZ LYS 37 -7.801 -18.199 2.769 1075 H ARG 38 H ARG 38 -11.173 -11.809 7.614 1076 HA ARG 38 HA ARG 38 -12.180 -13.236 9.990 1077 1HB ARG 38 2HB ARG 38 -11.478 -10.339 9.399 1078 2HB ARG 38 1HB ARG 38 -11.861 -10.974 10.997 1079 1HG ARG 38 2HG ARG 38 -9.696 -12.271 9.372 1080 2HG ARG 38 1HG ARG 38 -9.350 -10.787 10.261 1081 1HD ARG 38 2HD ARG 38 -10.800 -12.505 12.023 1082 2HD ARG 38 1HD ARG 38 -9.489 -13.455 11.294 1083 HE ARG 38 HE ARG 38 -8.313 -11.007 11.902 1084 1HH1 ARG 38 2HH1 ARG 38 -10.632 -11.884 14.014 1085 2HH1 ARG 38 1HH1 ARG 38 -9.590 -12.286 15.338 1086 1HH2 ARG 38 1HH2 ARG 38 -6.697 -12.192 13.432 1087 2HH2 ARG 38 2HH2 ARG 38 -7.362 -12.459 15.009 1088 H ILE 39 H ILE 39 -13.209 -10.769 7.664 1089 HA ILE 39 HA ILE 39 -15.769 -10.199 8.815 1090 HB ILE 39 HB ILE 39 -14.621 -10.074 6.015 1091 1HG1 ILE 39 2HG1 ILE 39 -14.882 -8.215 8.358 1092 2HG1 ILE 39 1HG1 ILE 39 -13.503 -8.485 7.295 1093 1HG2 ILE 39 2HG2 ILE 39 -17.269 -10.209 6.380 1094 2HG2 ILE 39 1HG2 ILE 39 -17.048 -8.508 6.783 1095 3HG2 ILE 39 3HG2 ILE 39 -16.556 -9.113 5.201 1096 1HD1 ILE 39 1HD1 ILE 39 -15.089 -7.474 5.459 1097 2HD1 ILE 39 3HD1 ILE 39 -15.936 -6.788 6.845 1098 3HD1 ILE 39 2HD1 ILE 39 -14.236 -6.400 6.568 1099 H GLU 40 H GLU 40 -14.692 -12.581 6.393 1100 HA GLU 40 HA GLU 40 -17.274 -13.668 5.798 1101 1HB GLU 40 2HB GLU 40 -15.998 -15.427 4.794 1102 2HB GLU 40 1HB GLU 40 -14.996 -13.985 4.641 1103 1HG GLU 40 2HG GLU 40 -13.420 -15.416 5.508 1104 2HG GLU 40 1HG GLU 40 -14.109 -14.827 7.016 1105 H ALA 41 H ALA 41 -15.000 -14.104 8.425 1106 HA ALA 41 HA ALA 41 -16.068 -16.494 9.587 1107 1HB ALA 41 3HB ALA 41 -13.976 -14.836 10.060 1108 2HB ALA 41 2HB ALA 41 -15.076 -14.283 11.323 1109 3HB ALA 41 1HB ALA 41 -14.572 -15.973 11.270 1110 H LEU 42 H LEU 42 -16.864 -13.056 9.946 1111 HA LEU 42 HA LEU 42 -18.989 -13.491 11.895 1112 1HB LEU 42 2HB LEU 42 -18.184 -11.220 10.051 1113 2HB LEU 42 1HB LEU 42 -19.507 -11.088 11.199 1114 HG LEU 42 HG LEU 42 -17.955 -10.374 12.677 1115 1HD1 LEU 42 3HD1 LEU 42 -18.254 -12.717 13.472 1116 2HD1 LEU 42 2HD1 LEU 42 -16.857 -13.196 12.509 1117 3HD1 LEU 42 1HD1 LEU 42 -16.655 -12.076 13.855 1118 1HD2 LEU 42 1HD2 LEU 42 -16.226 -11.116 10.435 1119 2HD2 LEU 42 3HD2 LEU 42 -16.151 -9.711 11.497 1120 3HD2 LEU 42 2HD2 LEU 42 -15.421 -11.235 12.000 1121 H GLU 43 H GLU 43 -18.704 -13.451 8.400 1122 HA GLU 43 HA GLU 43 -21.522 -13.188 7.792 1123 1HB GLU 43 2HB GLU 43 -19.174 -14.401 6.297 1124 2HB GLU 43 1HB GLU 43 -20.727 -13.983 5.570 1125 1HG GLU 43 2HG GLU 43 -19.997 -11.684 6.944 1126 2HG GLU 43 1HG GLU 43 -18.482 -12.258 6.254 1127 H ASN 44 H ASN 44 -19.533 -15.699 9.010 1128 HA ASN 44 HA ASN 44 -21.107 -17.961 8.039 1129 1HB ASN 44 2HB ASN 44 -18.947 -17.468 10.093 1130 2HB ASN 44 1HB ASN 44 -19.728 -19.045 9.978 1131 1HD2 ASN 44 2HD2 ASN 44 -18.457 -19.585 6.586 1132 2HD2 ASN 44 1HD2 ASN 44 -19.908 -19.753 7.452 1133 H LYS 45 H LYS 45 -21.417 -15.606 10.515 1134 HA LYS 45 HA LYS 45 -23.466 -17.263 11.939 1135 1HB LYS 45 2HB LYS 45 -21.585 -15.042 12.759 1136 2HB LYS 45 1HB LYS 45 -22.963 -15.497 13.762 1137 1HG LYS 45 2HG LYS 45 -20.977 -16.715 14.504 1138 2HG LYS 45 1HG LYS 45 -22.130 -17.843 13.790 1139 1HD LYS 45 2HD LYS 45 -20.806 -18.252 11.957 1140 2HD LYS 45 1HD LYS 45 -20.129 -16.623 11.952 1141 1HE LYS 45 2HE LYS 45 -18.274 -17.767 12.738 1142 2HE LYS 45 1HE LYS 45 -19.099 -17.520 14.291 1143 1HZ LYS 45 2HZ LYS 45 -19.786 -19.812 12.564 1144 2HZ LYS 45 1HZ LYS 45 -18.466 -19.907 13.629 1145 3HZ LYS 45 3HZ LYS 45 -20.025 -19.630 14.236 1146 H ILE 46 H ILE 46 -22.905 -14.449 9.999 1147 HA ILE 46 HA ILE 46 -25.547 -13.277 10.767 1148 HB ILE 46 HB ILE 46 -23.247 -12.243 9.070 1149 1HG1 ILE 46 2HG1 ILE 46 -22.360 -12.117 11.215 1150 2HG1 ILE 46 1HG1 ILE 46 -23.232 -10.590 11.153 1151 1HG2 ILE 46 2HG2 ILE 46 -25.852 -11.010 9.978 1152 2HG2 ILE 46 1HG2 ILE 46 -24.477 -10.032 9.466 1153 3HG2 ILE 46 3HG2 ILE 46 -25.230 -11.155 8.334 1154 1HD1 ILE 46 3HD1 ILE 46 -24.326 -13.165 12.324 1155 2HD1 ILE 46 2HD1 ILE 46 -23.686 -11.818 13.260 1156 3HD1 ILE 46 1HD1 ILE 46 -25.151 -11.606 12.300 1157 H ILE 47 HN ILE 47 -24.011 -15.197 8.378 1158 HA ILE 47 HA ILE 47 -25.247 -14.507 5.954 1159 HB ILE 47 HB ILE 47 -23.608 -16.234 6.030 1160 1HG1 ILE 47 2HG1 ILE 47 -26.109 -17.876 5.699 1161 2HG1 ILE 47 1HG1 ILE 47 -25.731 -16.589 4.555 1162 1HG2 ILE 47 1HG2 ILE 47 -25.382 -17.350 8.185 1163 2HG2 ILE 47 3HG2 ILE 47 -24.298 -18.426 7.303 1164 3HG2 ILE 47 2HG2 ILE 47 -23.642 -17.067 8.215 1165 1HD1 ILE 47 1HD1 ILE 47 -23.394 -18.229 5.107 1166 2HD1 ILE 47 3HD1 ILE 47 -24.732 -19.202 4.497 1167 3HD1 ILE 47 2HD1 ILE 47 -24.138 -17.832 3.557 No H/Q in entry = 1167 Start of MODEL 9 1 1H GLY 1 3H GLY 1 16.956 6.058 -23.421 2 2H GLY 1 2H GLY 1 15.519 5.696 -22.590 3 3H GLY 1 1H GLY 1 15.685 5.277 -24.229 4 1HA GLY 1 2HA GLY 1 14.363 7.172 -24.293 5 2HA GLY 1 1HA GLY 1 15.323 7.954 -23.036 6 H SER 2 H SER 2 17.212 9.046 -23.626 7 HA SER 2 HA SER 2 17.492 9.694 -26.480 8 1HB SER 2 2HB SER 2 17.685 11.504 -24.959 9 2HB SER 2 1HB SER 2 18.719 10.586 -23.870 10 HG SER 2 HG SER 2 19.391 12.134 -25.963 11 H HIS 3 H HIS 3 19.806 8.590 -23.962 12 HA HIS 3 HA HIS 3 21.412 7.299 -26.140 13 1HB HIS 3 2HB HIS 3 22.067 8.382 -23.384 14 2HB HIS 3 1HB HIS 3 23.227 7.483 -24.364 15 HD1 HIS 3 HD1 HIS 3 22.927 10.745 -23.555 16 HD2 HIS 3 HD2 HIS 3 22.673 8.896 -27.282 17 HE1 HIS 3 HE1 HIS 3 23.428 12.533 -25.277 18 H MET 4 H MET 4 22.385 5.184 -25.590 19 HA MET 4 HA MET 4 20.575 3.571 -23.857 20 1HB MET 4 2HB MET 4 22.301 3.157 -26.251 21 2HB MET 4 1HB MET 4 22.107 1.781 -25.164 22 1HG MET 4 2HG MET 4 19.803 1.653 -25.516 23 2HG MET 4 1HG MET 4 19.684 3.341 -26.017 24 1HE MET 4 2HE MET 4 18.152 2.593 -27.507 25 2HE MET 4 1HE MET 4 18.552 2.404 -29.212 26 3HE MET 4 3HE MET 4 18.277 0.978 -28.200 27 H GLU 5 H GLU 5 23.881 2.689 -24.672 28 HA GLU 5 HA GLU 5 25.767 2.298 -23.295 29 1HB GLU 5 2HB GLU 5 24.474 4.645 -22.392 30 2HB GLU 5 1HB GLU 5 24.840 3.708 -20.942 31 1HG GLU 5 2HG GLU 5 27.127 3.811 -21.280 32 2HG GLU 5 1HG GLU 5 26.967 3.939 -23.033 33 H GLU 6 H GLU 6 25.849 1.924 -20.491 34 HA GLU 6 HA GLU 6 24.191 -0.547 -20.239 35 1HB GLU 6 2HB GLU 6 26.896 0.136 -19.790 36 2HB GLU 6 1HB GLU 6 26.196 -0.135 -18.193 37 1HG GLU 6 2HG GLU 6 25.231 -2.294 -19.070 38 2HG GLU 6 1HG GLU 6 26.163 -2.043 -20.546 39 H ASP 7 H ASP 7 22.744 -0.782 -18.531 40 HA ASP 7 HA ASP 7 21.378 1.279 -17.343 41 1HB ASP 7 2HB ASP 7 20.782 -1.090 -17.178 42 2HB ASP 7 1HB ASP 7 22.175 -1.390 -16.138 43 HA PRO 8 HA PRO 8 24.807 2.910 -14.888 44 1HB PRO 8 2HB PRO 8 23.772 5.434 -14.686 45 2HB PRO 8 1HB PRO 8 24.686 4.870 -16.098 46 1HG PRO 8 2HG PRO 8 21.763 5.219 -15.759 47 2HG PRO 8 1HG PRO 8 22.772 5.441 -17.193 48 1HD PRO 8 2HD PRO 8 21.172 3.240 -16.711 49 2HD PRO 8 1HD PRO 8 22.555 3.273 -17.828 50 H CYS 9 H CYS 9 21.639 4.408 -14.114 51 HA CYS 9 HA CYS 9 21.842 3.201 -11.381 52 1HB CYS 9 2HB CYS 9 21.602 6.016 -12.343 53 2HB CYS 9 1HB CYS 9 20.718 5.584 -10.877 54 H GLU 10 H GLU 10 20.232 2.224 -13.598 55 HA GLU 10 HA GLU 10 17.989 1.668 -14.108 56 1HB GLU 10 2HB GLU 10 18.183 2.037 -11.123 57 2HB GLU 10 1HB GLU 10 16.657 1.550 -11.864 58 1HG GLU 10 2HG GLU 10 17.392 -0.565 -12.080 59 2HG GLU 10 1HG GLU 10 18.804 -0.013 -12.981 60 H CYS 11 H CYS 11 18.542 4.400 -14.661 61 HA CYS 11 HA CYS 11 16.978 6.376 -13.498 62 1HB CYS 11 2HB CYS 11 17.960 5.727 -16.237 63 2HB CYS 11 1HB CYS 11 16.768 7.023 -16.100 64 H LYS 12 H LYS 12 15.939 3.742 -15.597 65 HA LYS 12 HA LYS 12 13.105 4.684 -15.297 66 1HB LYS 12 2HB LYS 12 14.208 2.855 -17.441 67 2HB LYS 12 1HB LYS 12 12.714 3.791 -17.475 68 1HG LYS 12 2HG LYS 12 15.550 4.836 -17.632 69 2HG LYS 12 1HG LYS 12 14.281 4.974 -18.850 70 1HD LYS 12 2HD LYS 12 13.149 6.080 -16.547 71 2HD LYS 12 1HD LYS 12 14.811 6.672 -16.544 72 1HE LYS 12 2HE LYS 12 14.051 6.932 -19.211 73 2HE LYS 12 1HE LYS 12 12.599 7.411 -18.309 74 1HZ LYS 12 1HZ LYS 12 15.327 8.348 -17.618 75 2HZ LYS 12 3HZ LYS 12 14.282 9.223 -18.626 76 3HZ LYS 12 2HZ LYS 12 13.849 8.925 -17.011 77 H SER 13 H SER 13 15.355 2.275 -14.458 78 HA SER 13 HA SER 13 13.515 0.003 -14.365 79 1HB SER 13 2HB SER 13 16.323 0.682 -13.629 80 2HB SER 13 1HB SER 13 15.603 -0.707 -12.822 81 HG SER 13 HG SER 13 16.641 -0.636 -15.211 82 H ILE 14 H ILE 14 14.636 2.483 -12.150 83 HA ILE 14 HA ILE 14 13.501 1.281 -9.742 84 HB ILE 14 HB ILE 14 14.705 3.926 -10.568 85 1HG1 ILE 14 2HG1 ILE 14 15.716 2.099 -8.423 86 2HG1 ILE 14 1HG1 ILE 14 15.956 1.646 -10.111 87 1HG2 ILE 14 2HG2 ILE 14 12.996 4.381 -8.838 88 2HG2 ILE 14 1HG2 ILE 14 13.724 3.154 -7.801 89 3HG2 ILE 14 3HG2 ILE 14 14.625 4.616 -8.204 90 1HD1 ILE 14 2HD1 ILE 14 17.020 3.831 -10.548 91 2HD1 ILE 14 1HD1 ILE 14 16.801 4.274 -8.855 92 3HD1 ILE 14 3HD1 ILE 14 17.881 2.947 -9.288 93 H VAL 15 H VAL 15 12.626 3.821 -12.035 94 HA VAL 15 HA VAL 15 10.162 4.519 -10.605 95 HB VAL 15 HB VAL 15 10.772 5.268 -13.458 96 1HG1 VAL 15 2HG1 VAL 15 9.777 6.796 -11.028 97 2HG1 VAL 15 1HG1 VAL 15 9.913 7.450 -12.660 98 3HG1 VAL 15 3HG1 VAL 15 8.765 6.154 -12.321 99 1HG2 VAL 15 2HG2 VAL 15 12.326 6.127 -11.001 100 2HG2 VAL 15 1HG2 VAL 15 12.967 5.513 -12.524 101 3HG2 VAL 15 3HG2 VAL 15 12.250 7.118 -12.455 102 H LYS 16 H LYS 16 11.238 2.239 -12.929 103 HA LYS 16 HA LYS 16 8.680 1.688 -14.211 104 1HB LYS 16 2HB LYS 16 10.627 1.021 -15.388 105 2HB LYS 16 1HB LYS 16 11.384 0.364 -13.937 106 1HG LYS 16 2HG LYS 16 8.864 -0.958 -14.454 107 2HG LYS 16 1HG LYS 16 9.917 -1.055 -15.866 108 1HD LYS 16 2HD LYS 16 11.677 -1.563 -13.819 109 2HD LYS 16 1HD LYS 16 10.201 -2.326 -13.225 110 1HE LYS 16 2HE LYS 16 10.181 -3.153 -15.834 111 2HE LYS 16 1HE LYS 16 11.924 -3.102 -15.501 112 1HZ LYS 16 3HZ LYS 16 11.071 -4.135 -13.232 113 2HZ LYS 16 2HZ LYS 16 9.841 -4.722 -14.246 114 3HZ LYS 16 1HZ LYS 16 11.465 -5.104 -14.566 115 H PHE 17 H PHE 17 10.576 0.448 -11.485 116 HA PHE 17 HA PHE 17 8.721 -1.647 -10.726 117 1HB PHE 17 2HB PHE 17 10.836 -1.921 -9.796 118 2HB PHE 17 1HB PHE 17 11.084 -0.187 -9.602 119 HD1 PHE 17 HD1 PHE 17 10.192 1.011 -7.666 120 HD2 PHE 17 HD2 PHE 17 9.638 -3.226 -8.102 121 HE1 PHE 17 HE1 PHE 17 9.498 0.862 -5.293 122 HE2 PHE 17 HE2 PHE 17 8.944 -3.377 -5.724 123 HZ PHE 17 HZ PHE 17 8.873 -1.331 -4.315 124 H GLN 18 H GLN 18 9.039 1.806 -10.105 125 HA GLN 18 HA GLN 18 7.267 2.075 -7.891 126 1HB GLN 18 2HB GLN 18 8.120 3.804 -10.206 127 2HB GLN 18 1HB GLN 18 6.953 4.405 -9.028 128 1HG GLN 18 2HG GLN 18 8.629 3.717 -7.225 129 2HG GLN 18 1HG GLN 18 9.796 3.514 -8.530 130 1HE2 GLN 18 2HE2 GLN 18 10.272 6.989 -7.446 131 2HE2 GLN 18 1HE2 GLN 18 10.614 5.432 -6.870 132 H THR 19 H THR 19 6.612 2.085 -11.394 133 HA THR 19 HA THR 19 3.814 2.604 -11.310 134 HB THR 19 HB THR 19 5.679 1.056 -13.117 135 HG1 THR 19 HG1 THR 19 5.445 3.462 -12.904 136 1HG2 THR 19 2HG2 THR 19 2.687 1.411 -13.407 137 2HG2 THR 19 1HG2 THR 19 3.749 0.992 -14.751 138 3HG2 THR 19 3HG2 THR 19 3.587 -0.104 -13.379 139 H LYS 20 H LYS 20 5.650 -0.396 -10.829 140 HA LYS 20 HA LYS 20 3.391 -2.187 -10.754 141 1HB LYS 20 2HB LYS 20 6.132 -2.284 -9.439 142 2HB LYS 20 1HB LYS 20 5.058 -3.669 -9.640 143 1HG LYS 20 2HG LYS 20 5.330 -2.351 -12.173 144 2HG LYS 20 1HG LYS 20 6.940 -2.638 -11.511 145 1HD LYS 20 2HD LYS 20 6.780 -4.861 -11.862 146 2HD LYS 20 1HD LYS 20 5.188 -4.931 -11.106 147 1HE LYS 20 2HE LYS 20 4.691 -5.536 -13.324 148 2HE LYS 20 1HE LYS 20 4.406 -3.784 -13.365 149 1HZ LYS 20 2HZ LYS 20 6.806 -3.539 -13.943 150 2HZ LYS 20 1HZ LYS 20 6.880 -5.224 -14.151 151 3HZ LYS 20 3HZ LYS 20 5.875 -4.291 -15.148 152 H VAL 21 H VAL 21 4.986 -0.103 -8.424 153 HA VAL 21 HA VAL 21 3.527 -1.096 -6.092 154 HB VAL 21 HB VAL 21 5.491 1.030 -6.832 155 1HG1 VAL 21 3HG1 VAL 21 3.777 1.174 -4.333 156 2HG1 VAL 21 2HG1 VAL 21 5.241 2.119 -4.605 157 3HG1 VAL 21 1HG1 VAL 21 3.829 2.365 -5.632 158 1HG2 VAL 21 1HG2 VAL 21 5.410 -1.413 -5.359 159 2HG2 VAL 21 3HG2 VAL 21 6.808 -0.391 -5.695 160 3HG2 VAL 21 2HG2 VAL 21 5.849 -0.122 -4.239 161 H GLU 22 H GLU 22 2.984 1.149 -8.671 162 HA GLU 22 HA GLU 22 1.037 2.847 -7.353 163 1HB GLU 22 2HB GLU 22 2.080 2.280 -10.093 164 2HB GLU 22 1HB GLU 22 0.535 3.116 -9.985 165 1HG GLU 22 2HG GLU 22 3.038 3.990 -8.519 166 2HG GLU 22 1HG GLU 22 2.515 4.663 -10.064 167 H GLU 23 H GLU 23 0.796 0.083 -9.611 168 HA GLU 23 HA GLU 23 -2.108 -0.037 -9.483 169 1HB GLU 23 2HB GLU 23 -0.101 -2.157 -10.307 170 2HB GLU 23 1HB GLU 23 -1.778 -2.018 -10.839 171 1HG GLU 23 2HG GLU 23 -0.763 0.463 -11.471 172 2HG GLU 23 1HG GLU 23 0.613 -0.592 -11.791 173 H LEU 24 H LEU 24 0.563 -1.559 -7.744 174 HA LEU 24 HA LEU 24 -0.972 -3.616 -6.427 175 1HB LEU 24 2HB LEU 24 1.600 -3.215 -6.764 176 2HB LEU 24 1HB LEU 24 1.466 -2.259 -5.289 177 HG LEU 24 HG LEU 24 0.588 -4.165 -4.069 178 1HD1 LEU 24 2HD1 LEU 24 0.165 -5.172 -6.791 179 2HD1 LEU 24 1HD1 LEU 24 0.884 -6.370 -5.714 180 3HD1 LEU 24 3HD1 LEU 24 -0.652 -5.614 -5.291 181 1HD2 LEU 24 3HD2 LEU 24 3.031 -4.783 -5.750 182 2HD2 LEU 24 2HD2 LEU 24 2.994 -4.085 -4.131 183 3HD2 LEU 24 1HD2 LEU 24 2.533 -5.769 -4.376 184 H ILE 25 H ILE 25 0.045 -0.331 -5.449 185 HA ILE 25 HA ILE 25 -1.133 -0.362 -2.849 186 HB ILE 25 HB ILE 25 0.152 1.469 -4.699 187 1HG1 ILE 25 2HG1 ILE 25 1.076 2.370 -2.691 188 2HG1 ILE 25 1HG1 ILE 25 -0.284 1.796 -1.726 189 1HG2 ILE 25 3HG2 ILE 25 -2.186 2.485 -4.679 190 2HG2 ILE 25 2HG2 ILE 25 -1.944 2.779 -2.956 191 3HG2 ILE 25 1HG2 ILE 25 -0.887 3.548 -4.140 192 1HD1 ILE 25 1HD1 ILE 25 1.051 -0.354 -3.204 193 2HD1 ILE 25 3HD1 ILE 25 2.118 0.459 -2.059 194 3HD1 ILE 25 2HD1 ILE 25 0.613 -0.268 -1.497 195 H ASN 26 H ASN 26 -2.442 0.471 -6.051 196 HA ASN 26 HA ASN 26 -4.974 1.493 -5.194 197 1HB ASN 26 2HB ASN 26 -3.708 1.342 -7.517 198 2HB ASN 26 1HB ASN 26 -4.618 -0.160 -7.679 199 1HD2 ASN 26 2HD2 ASN 26 -6.546 2.999 -8.820 200 2HD2 ASN 26 1HD2 ASN 26 -4.899 2.636 -9.011 201 H THR 27 H THR 27 -3.886 -1.792 -5.985 202 HA THR 27 HA THR 27 -6.377 -3.155 -5.666 203 HB THR 27 HB THR 27 -3.454 -3.876 -5.396 204 HG1 THR 27 HG1 THR 27 -4.937 -3.453 -7.419 205 1HG2 THR 27 1HG2 THR 27 -5.852 -5.466 -4.693 206 2HG2 THR 27 3HG2 THR 27 -4.666 -6.281 -5.713 207 3HG2 THR 27 2HG2 THR 27 -4.183 -5.637 -4.144 208 H LEU 28 H LEU 28 -3.905 -2.146 -3.334 209 HA LEU 28 HA LEU 28 -4.962 -3.638 -1.085 210 1HB LEU 28 2HB LEU 28 -3.069 -1.346 -1.560 211 2HB LEU 28 1HB LEU 28 -3.559 -1.731 0.090 212 HG LEU 28 HG LEU 28 -2.695 -3.999 -1.642 213 1HD1 LEU 28 2HD1 LEU 28 -1.037 -2.097 -1.994 214 2HD1 LEU 28 1HD1 LEU 28 -0.687 -2.199 -0.268 215 3HD1 LEU 28 3HD1 LEU 28 -0.357 -3.578 -1.316 216 1HD2 LEU 28 2HD2 LEU 28 -3.149 -3.413 1.144 217 2HD2 LEU 28 1HD2 LEU 28 -2.822 -4.972 0.387 218 3HD2 LEU 28 3HD2 LEU 28 -1.485 -3.956 0.924 219 H GLN 29 H GLN 29 -5.307 -0.272 -2.203 220 HA GLN 29 HA GLN 29 -7.107 0.572 -0.112 221 1HB GLN 29 2HB GLN 29 -5.608 1.813 -1.915 222 2HB GLN 29 1HB GLN 29 -7.069 1.702 -2.896 223 1HG GLN 29 2HG GLN 29 -8.172 3.251 -1.646 224 2HG GLN 29 1HG GLN 29 -7.537 2.611 -0.129 225 1HE2 GLN 29 2HE2 GLN 29 -5.131 5.157 0.117 226 2HE2 GLN 29 1HE2 GLN 29 -6.101 4.003 0.896 227 H GLN 30 H GLN 30 -7.432 -1.440 -2.848 228 HA GLN 30 HA GLN 30 -10.275 -0.938 -3.373 229 1HB GLN 30 2HB GLN 30 -8.133 -2.870 -4.265 230 2HB GLN 30 1HB GLN 30 -9.810 -3.102 -4.754 231 1HG GLN 30 2HG GLN 30 -9.074 -0.344 -5.110 232 2HG GLN 30 1HG GLN 30 -7.910 -1.380 -5.936 233 1HE2 GLN 30 2HE2 GLN 30 -11.538 -0.877 -7.561 234 2HE2 GLN 30 1HE2 GLN 30 -10.950 0.080 -6.289 235 H LYS 31 H LYS 31 -8.347 -3.645 -2.067 236 HA LYS 31 HA LYS 31 -10.635 -5.159 -1.151 237 1HB LYS 31 2HB LYS 31 -7.675 -5.188 -0.964 238 2HB LYS 31 1HB LYS 31 -8.515 -5.996 0.360 239 1HG LYS 31 2HG LYS 31 -9.667 -7.461 -1.141 240 2HG LYS 31 1HG LYS 31 -9.168 -6.521 -2.548 241 1HD LYS 31 2HD LYS 31 -6.737 -7.086 -1.567 242 2HD LYS 31 1HD LYS 31 -7.609 -8.481 -0.929 243 1HE LYS 31 2HE LYS 31 -8.564 -8.460 -3.478 244 2HE LYS 31 1HE LYS 31 -6.932 -7.813 -3.741 245 1HZ LYS 31 1HZ LYS 31 -6.356 -9.697 -2.008 246 2HZ LYS 31 3HZ LYS 31 -7.747 -10.411 -2.668 247 3HZ LYS 31 2HZ LYS 31 -6.434 -10.020 -3.674 248 H LEU 32 H LEU 32 -8.990 -2.376 0.006 249 HA LEU 32 HA LEU 32 -9.708 -2.719 2.832 250 1HB LEU 32 2HB LEU 32 -7.724 -1.454 1.650 251 2HB LEU 32 1HB LEU 32 -8.897 -0.144 1.507 252 HG LEU 32 HG LEU 32 -9.257 -0.145 3.914 253 1HD1 LEU 32 1HD1 LEU 32 -7.546 -2.611 3.748 254 2HD1 LEU 32 3HD1 LEU 32 -7.562 -1.656 5.230 255 3HD1 LEU 32 2HD1 LEU 32 -9.058 -2.365 4.623 256 1HD2 LEU 32 1HD2 LEU 32 -6.370 -0.118 3.007 257 2HD2 LEU 32 3HD2 LEU 32 -7.442 1.261 3.253 258 3HD2 LEU 32 2HD2 LEU 32 -6.845 0.349 4.640 259 H GLU 33 H GLU 33 -10.750 -0.634 0.109 260 HA GLU 33 HA GLU 33 -12.892 0.634 1.589 261 1HB GLU 33 2HB GLU 33 -11.953 1.693 -0.363 262 2HB GLU 33 1HB GLU 33 -12.224 0.255 -1.346 263 1HG GLU 33 2HG GLU 33 -14.300 0.948 -1.864 264 2HG GLU 33 1HG GLU 33 -14.712 1.089 -0.155 265 H ALA 34 H ALA 34 -12.485 -2.445 0.138 266 HA ALA 34 HA ALA 34 -15.384 -2.954 -0.186 267 1HB ALA 34 3HB ALA 34 -12.775 -4.237 -0.879 268 2HB ALA 34 2HB ALA 34 -14.152 -5.314 -0.649 269 3HB ALA 34 1HB ALA 34 -14.220 -4.044 -1.870 270 H VAL 35 H VAL 35 -12.638 -3.718 1.859 271 HA VAL 35 HA VAL 35 -13.867 -5.705 3.527 272 HB VAL 35 HB VAL 35 -11.503 -3.896 3.481 273 1HG1 VAL 35 3HG1 VAL 35 -12.458 -3.561 5.778 274 2HG1 VAL 35 2HG1 VAL 35 -12.301 -5.297 6.040 275 3HG1 VAL 35 1HG1 VAL 35 -10.866 -4.311 5.768 276 1HG2 VAL 35 2HG2 VAL 35 -11.450 -6.200 2.591 277 2HG2 VAL 35 1HG2 VAL 35 -10.333 -6.011 3.942 278 3HG2 VAL 35 3HG2 VAL 35 -11.881 -6.819 4.185 279 H ALA 36 H ALA 36 -13.662 -2.151 3.662 280 HA ALA 36 HA ALA 36 -14.944 -1.829 6.225 281 1HB ALA 36 2HB ALA 36 -13.522 -0.206 4.796 282 2HB ALA 36 1HB ALA 36 -15.006 0.099 3.891 283 3HB ALA 36 3HB ALA 36 -14.928 0.479 5.612 284 H LYS 37 H LYS 37 -16.078 -2.344 2.952 285 HA LYS 37 HA LYS 37 -18.844 -1.553 3.489 286 1HB LYS 37 2HB LYS 37 -17.136 -2.375 1.289 287 2HB LYS 37 1HB LYS 37 -18.680 -3.226 1.225 288 1HG LYS 37 2HG LYS 37 -19.816 -1.346 0.676 289 2HG LYS 37 1HG LYS 37 -18.960 -0.380 1.879 290 1HD LYS 37 2HD LYS 37 -17.070 -0.089 0.409 291 2HD LYS 37 1HD LYS 37 -17.734 -1.239 -0.754 292 1HE LYS 37 2HE LYS 37 -19.804 0.412 -0.750 293 2HE LYS 37 1HE LYS 37 -18.594 1.581 -0.184 294 1HZ LYS 37 3HZ LYS 37 -17.872 -0.214 -2.384 295 2HZ LYS 37 2HZ LYS 37 -18.899 1.093 -2.735 296 3HZ LYS 37 1HZ LYS 37 -17.358 1.372 -2.075 297 H ARG 38 H ARG 38 -16.939 -4.503 3.643 298 HA ARG 38 HA ARG 38 -19.248 -6.279 3.872 299 1HB ARG 38 2HB ARG 38 -16.382 -6.775 4.724 300 2HB ARG 38 1HB ARG 38 -17.560 -7.952 4.148 301 1HG ARG 38 2HG ARG 38 -17.326 -5.958 2.137 302 2HG ARG 38 1HG ARG 38 -15.690 -6.415 2.612 303 1HD ARG 38 2HD ARG 38 -16.984 -8.863 2.500 304 2HD ARG 38 1HD ARG 38 -17.687 -7.976 1.133 305 HE ARG 38 HE ARG 38 -15.229 -7.398 0.560 306 1HH1 ARG 38 2HH1 ARG 38 -13.321 -8.535 2.013 307 2HH1 ARG 38 1HH1 ARG 38 -13.232 -10.219 1.616 308 1HH2 ARG 38 1HH2 ARG 38 -16.368 -10.311 0.140 309 2HH2 ARG 38 2HH2 ARG 38 -14.956 -11.223 0.558 310 H ILE 39 H ILE 39 -17.039 -4.564 6.008 311 HA ILE 39 HA ILE 39 -17.780 -5.766 8.497 312 HB ILE 39 HB ILE 39 -16.566 -3.193 7.525 313 1HG1 ILE 39 2HG1 ILE 39 -15.383 -5.485 7.791 314 2HG1 ILE 39 1HG1 ILE 39 -14.579 -4.068 8.459 315 1HG2 ILE 39 2HG2 ILE 39 -17.483 -3.786 10.342 316 2HG2 ILE 39 1HG2 ILE 39 -16.158 -2.670 10.012 317 3HG2 ILE 39 3HG2 ILE 39 -17.770 -2.336 9.381 318 1HD1 ILE 39 1HD1 ILE 39 -16.414 -5.219 10.390 319 2HD1 ILE 39 3HD1 ILE 39 -15.246 -6.416 9.837 320 3HD1 ILE 39 2HD1 ILE 39 -14.687 -4.904 10.545 321 H GLU 40 H GLU 40 -18.978 -2.870 6.783 322 HA GLU 40 HA GLU 40 -20.998 -2.189 8.716 323 1HB GLU 40 2HB GLU 40 -21.922 -0.901 6.761 324 2HB GLU 40 1HB GLU 40 -20.196 -0.634 7.000 325 1HG GLU 40 2HG GLU 40 -19.625 -2.105 5.204 326 2HG GLU 40 1HG GLU 40 -21.273 -2.724 5.099 327 H ALA 41 H ALA 41 -20.841 -4.382 5.967 328 HA ALA 41 HA ALA 41 -23.578 -5.048 5.649 329 1HB ALA 41 3HB ALA 41 -21.230 -5.796 4.544 330 2HB ALA 41 2HB ALA 41 -21.502 -7.193 5.586 331 3HB ALA 41 1HB ALA 41 -22.695 -6.760 4.361 332 H LEU 42 H LEU 42 -21.140 -6.154 7.959 333 HA LEU 42 HA LEU 42 -22.885 -8.075 9.293 334 1HB LEU 42 2HB LEU 42 -20.214 -6.759 9.827 335 2HB LEU 42 1HB LEU 42 -20.960 -7.780 11.045 336 HG LEU 42 HG LEU 42 -19.756 -9.413 9.999 337 1HD1 LEU 42 3HD1 LEU 42 -22.168 -9.918 9.473 338 2HD1 LEU 42 2HD1 LEU 42 -21.912 -9.202 7.883 339 3HD1 LEU 42 1HD1 LEU 42 -21.015 -10.645 8.355 340 1HD2 LEU 42 3HD2 LEU 42 -19.141 -7.352 8.283 341 2HD2 LEU 42 2HD2 LEU 42 -18.484 -8.984 8.186 342 3HD2 LEU 42 1HD2 LEU 42 -19.879 -8.535 7.205 343 H GLU 43 H GLU 43 -21.950 -4.694 9.728 344 HA GLU 43 HA GLU 43 -23.122 -4.299 12.323 345 1HB GLU 43 2HB GLU 43 -22.659 -2.417 9.985 346 2HB GLU 43 1HB GLU 43 -22.909 -1.920 11.661 347 1HG GLU 43 2HG GLU 43 -20.906 -3.819 11.856 348 2HG GLU 43 1HG GLU 43 -20.502 -2.961 10.370 349 H ASN 44 H ASN 44 -24.478 -4.772 9.214 350 HA ASN 44 HA ASN 44 -26.951 -3.286 9.574 351 1HB ASN 44 2HB ASN 44 -26.009 -5.539 7.778 352 2HB ASN 44 1HB ASN 44 -27.611 -4.819 7.632 353 1HD2 ASN 44 2HD2 ASN 44 -25.126 -1.716 7.172 354 2HD2 ASN 44 1HD2 ASN 44 -25.495 -2.392 8.682 355 H LYS 45 H LYS 45 -25.753 -6.443 10.479 356 HA LYS 45 HA LYS 45 -28.469 -7.203 11.493 357 1HB LYS 45 2HB LYS 45 -26.030 -8.744 10.578 358 2HB LYS 45 1HB LYS 45 -27.335 -9.520 11.477 359 1HG LYS 45 2HG LYS 45 -27.705 -9.793 9.071 360 2HG LYS 45 1HG LYS 45 -28.951 -8.748 9.756 361 1HD LYS 45 2HD LYS 45 -28.160 -6.871 8.692 362 2HD LYS 45 1HD LYS 45 -26.483 -7.417 8.753 363 1HE LYS 45 2HE LYS 45 -26.682 -8.074 6.590 364 2HE LYS 45 1HE LYS 45 -27.878 -9.277 7.112 365 1HZ LYS 45 2HZ LYS 45 -29.461 -7.278 7.201 366 2HZ LYS 45 1HZ LYS 45 -28.328 -6.506 6.199 367 3HZ LYS 45 3HZ LYS 45 -29.085 -7.931 5.679 368 H ILE 46 H ILE 46 -25.380 -6.127 12.425 369 HA ILE 46 HA ILE 46 -25.577 -7.389 15.127 370 HB ILE 46 HB ILE 46 -23.374 -5.904 13.656 371 1HG1 ILE 46 2HG1 ILE 46 -23.284 -8.006 12.695 372 2HG1 ILE 46 1HG1 ILE 46 -22.332 -8.325 14.138 373 1HG2 ILE 46 3HG2 ILE 46 -23.677 -6.773 16.480 374 2HG2 ILE 46 2HG2 ILE 46 -22.115 -7.081 15.723 375 3HG2 ILE 46 1HG2 ILE 46 -22.747 -5.437 15.805 376 1HD1 ILE 46 3HD1 ILE 46 -25.304 -8.860 13.847 377 2HD1 ILE 46 2HD1 ILE 46 -24.034 -10.082 13.778 378 3HD1 ILE 46 1HD1 ILE 46 -24.332 -9.202 15.278 379 H ILE 47 HN ILE 47 -26.115 -4.453 13.422 380 HA ILE 47 HA ILE 47 -25.529 -2.423 15.279 381 HB ILE 47 HB ILE 47 -26.332 -1.871 13.105 382 1HG1 ILE 47 2HG1 ILE 47 -28.855 -1.306 14.612 383 2HG1 ILE 47 1HG1 ILE 47 -27.349 -0.641 15.246 384 1HG2 ILE 47 2HG2 ILE 47 -28.368 -3.929 13.764 385 2HG2 ILE 47 1HG2 ILE 47 -28.925 -2.586 12.767 386 3HG2 ILE 47 3HG2 ILE 47 -27.574 -3.584 12.229 387 1HD1 ILE 47 2HD1 ILE 47 -27.753 -0.328 12.326 388 2HD1 ILE 47 1HD1 ILE 47 -28.849 0.600 13.350 389 3HD1 ILE 47 3HD1 ILE 47 -27.104 0.815 13.503 390 1H GLY 1 3H GLY 1 18.928 21.184 -7.944 391 2H GLY 1 2H GLY 1 17.693 20.517 -6.985 392 3H GLY 1 1H GLY 1 17.902 22.202 -7.056 393 1HA GLY 1 2HA GLY 1 18.830 21.577 -5.012 394 2HA GLY 1 1HA GLY 1 19.642 20.195 -5.750 395 H SER 2 H SER 2 21.624 20.515 -6.765 396 HA SER 2 HA SER 2 22.990 23.055 -6.192 397 1HB SER 2 2HB SER 2 24.261 21.102 -5.807 398 2HB SER 2 1HB SER 2 23.701 20.339 -7.292 399 HG SER 2 HG SER 2 25.520 22.490 -6.977 400 H HIS 3 H HIS 3 22.417 21.097 -9.146 401 HA HIS 3 HA HIS 3 22.706 23.619 -10.745 402 1HB HIS 3 2HB HIS 3 23.285 20.698 -11.311 403 2HB HIS 3 1HB HIS 3 23.281 21.927 -12.575 404 HD1 HIS 3 HD1 HIS 3 25.739 20.233 -10.989 405 HD2 HIS 3 HD2 HIS 3 24.916 24.319 -11.030 406 HE1 HIS 3 HE1 HIS 3 27.901 21.405 -10.382 407 H MET 4 H MET 4 21.242 23.798 -12.616 408 HA MET 4 HA MET 4 18.593 22.552 -12.069 409 1HB MET 4 2HB MET 4 19.669 25.029 -13.322 410 2HB MET 4 1HB MET 4 18.160 24.404 -13.989 411 1HG MET 4 2HG MET 4 17.004 24.678 -11.983 412 2HG MET 4 1HG MET 4 18.473 24.620 -11.012 413 1HE MET 4 2HE MET 4 17.748 26.184 -9.673 414 2HE MET 4 1HE MET 4 18.135 27.895 -9.834 415 3HE MET 4 3HE MET 4 16.522 27.307 -10.258 416 H GLU 5 H GLU 5 19.636 23.720 -15.213 417 HA GLU 5 HA GLU 5 19.863 22.605 -17.286 418 1HB GLU 5 2HB GLU 5 21.041 21.022 -15.278 419 2HB GLU 5 1HB GLU 5 20.052 19.908 -16.221 420 1HG GLU 5 2HG GLU 5 21.247 20.281 -18.177 421 2HG GLU 5 1HG GLU 5 21.765 21.890 -17.674 422 H GLU 6 H GLU 6 18.920 19.941 -17.893 423 HA GLU 6 HA GLU 6 15.976 20.408 -17.625 424 1HB GLU 6 2HB GLU 6 17.719 19.893 -19.782 425 2HB GLU 6 1HB GLU 6 16.796 18.407 -19.557 426 1HG GLU 6 2HG GLU 6 14.704 19.850 -19.484 427 2HG GLU 6 1HG GLU 6 15.713 21.195 -20.020 428 H ASP 7 H ASP 7 14.667 18.768 -16.777 429 HA ASP 7 HA ASP 7 15.489 16.978 -14.862 430 1HB ASP 7 2HB ASP 7 13.157 17.506 -15.438 431 2HB ASP 7 1HB ASP 7 13.317 16.611 -16.950 432 HA PRO 8 HA PRO 8 17.894 14.315 -17.617 433 1HB PRO 8 2HB PRO 8 19.530 13.351 -15.647 434 2HB PRO 8 1HB PRO 8 19.809 14.898 -16.468 435 1HG PRO 8 2HG PRO 8 18.692 14.361 -13.776 436 2HG PRO 8 1HG PRO 8 19.676 15.715 -14.345 437 1HD PRO 8 2HD PRO 8 16.940 15.803 -13.944 438 2HD PRO 8 1HD PRO 8 17.860 16.928 -14.965 439 H CYS 9 H CYS 9 17.522 13.028 -14.287 440 HA CYS 9 HA CYS 9 15.944 10.758 -15.442 441 1HB CYS 9 2HB CYS 9 18.454 10.873 -13.825 442 2HB CYS 9 1HB CYS 9 17.327 9.559 -13.486 443 H GLU 10 H GLU 10 14.847 13.085 -14.112 444 HA GLU 10 HA GLU 10 13.469 13.663 -12.273 445 1HB GLU 10 2HB GLU 10 13.175 10.702 -12.761 446 2HB GLU 10 1HB GLU 10 12.230 11.500 -11.503 447 1HG GLU 10 2HG GLU 10 10.811 12.339 -13.031 448 2HG GLU 10 1HG GLU 10 12.147 13.067 -13.924 449 H CYS 11 H CYS 11 16.198 13.434 -11.466 450 HA CYS 11 HA CYS 11 16.850 11.677 -9.412 451 1HB CYS 11 2HB CYS 11 17.461 14.505 -10.120 452 2HB CYS 11 1HB CYS 11 17.967 13.953 -8.521 453 H LYS 12 H LYS 12 14.619 14.396 -9.325 454 HA LYS 12 HA LYS 12 14.047 13.763 -6.446 455 1HB LYS 12 2HB LYS 12 13.498 16.378 -7.861 456 2HB LYS 12 1HB LYS 12 13.647 16.087 -6.128 457 1HG LYS 12 2HG LYS 12 15.859 16.017 -8.196 458 2HG LYS 12 1HG LYS 12 15.692 17.136 -6.843 459 1HD LYS 12 2HD LYS 12 15.589 14.584 -5.682 460 2HD LYS 12 1HD LYS 12 16.875 14.485 -6.887 461 1HE LYS 12 2HE LYS 12 17.384 16.939 -5.755 462 2HE LYS 12 1HE LYS 12 16.800 16.009 -4.361 463 1HZ LYS 12 2HZ LYS 12 18.299 14.209 -4.987 464 2HZ LYS 12 1HZ LYS 12 18.887 15.130 -6.289 465 3HZ LYS 12 3HZ LYS 12 19.166 15.643 -4.696 466 H SER 13 H SER 13 12.831 13.741 -9.629 467 HA SER 13 HA SER 13 10.014 14.211 -8.990 468 1HB SER 13 2HB SER 13 11.715 13.452 -11.320 469 2HB SER 13 1HB SER 13 10.007 13.041 -11.415 470 HG SER 13 HG SER 13 11.062 15.344 -11.931 471 H ILE 14 H ILE 14 12.159 11.448 -9.234 472 HA ILE 14 HA ILE 14 10.046 9.422 -9.196 473 HB ILE 14 HB ILE 14 13.061 9.507 -8.950 474 1HG1 ILE 14 2HG1 ILE 14 11.475 8.046 -11.031 475 2HG1 ILE 14 1HG1 ILE 14 11.626 9.796 -11.141 476 1HG2 ILE 14 2HG2 ILE 14 12.170 7.629 -7.560 477 2HG2 ILE 14 1HG2 ILE 14 11.327 7.017 -8.984 478 3HG2 ILE 14 3HG2 ILE 14 13.089 7.067 -8.956 479 1HD1 ILE 14 1HD1 ILE 14 13.946 7.856 -10.921 480 2HD1 ILE 14 3HD1 ILE 14 13.427 8.657 -12.404 481 3HD1 ILE 14 2HD1 ILE 14 14.078 9.609 -11.069 482 H VAL 15 H VAL 15 12.333 10.853 -6.914 483 HA VAL 15 HA VAL 15 11.424 9.186 -4.678 484 HB VAL 15 HB VAL 15 13.031 11.711 -4.380 485 1HG1 VAL 15 3HG1 VAL 15 12.582 10.231 -2.447 486 2HG1 VAL 15 2HG1 VAL 15 13.313 8.882 -3.315 487 3HG1 VAL 15 1HG1 VAL 15 14.302 10.259 -2.835 488 1HG2 VAL 15 1HG2 VAL 15 13.850 9.241 -5.921 489 2HG2 VAL 15 3HG2 VAL 15 14.098 10.933 -6.349 490 3HG2 VAL 15 2HG2 VAL 15 15.050 10.205 -5.060 491 H LYS 16 H LYS 16 10.523 12.090 -6.256 492 HA LYS 16 HA LYS 16 9.166 13.393 -4.028 493 1HB LYS 16 2HB LYS 16 9.784 14.778 -5.856 494 2HB LYS 16 1HB LYS 16 9.224 13.601 -7.046 495 1HG LYS 16 2HG LYS 16 7.050 14.375 -5.311 496 2HG LYS 16 1HG LYS 16 7.793 15.803 -6.032 497 1HD LYS 16 2HD LYS 16 7.707 14.132 -8.185 498 2HD LYS 16 1HD LYS 16 6.257 13.626 -7.317 499 1HE LYS 16 2HE LYS 16 5.990 16.325 -7.124 500 2HE LYS 16 1HE LYS 16 6.826 16.198 -8.685 501 1HZ LYS 16 3HZ LYS 16 5.188 14.258 -9.070 502 2HZ LYS 16 2HZ LYS 16 4.262 15.003 -7.855 503 3HZ LYS 16 1HZ LYS 16 4.635 15.848 -9.282 504 H PHE 17 H PHE 17 8.324 11.250 -6.730 505 HA PHE 17 HA PHE 17 5.505 11.033 -6.142 506 1HB PHE 17 2HB PHE 17 6.071 10.277 -8.271 507 2HB PHE 17 1HB PHE 17 7.610 9.612 -7.732 508 HD1 PHE 17 HD1 PHE 17 7.725 7.415 -6.633 509 HD2 PHE 17 HD2 PHE 17 4.021 8.960 -8.161 510 HE1 PHE 17 HE1 PHE 17 6.723 5.155 -6.475 511 HE2 PHE 17 HE2 PHE 17 3.015 6.697 -8.005 512 HZ PHE 17 HZ PHE 17 4.366 4.791 -7.161 513 H GLN 18 H GLN 18 8.442 9.458 -4.980 514 HA GLN 18 HA GLN 18 7.311 7.218 -3.639 515 1HB GLN 18 2HB GLN 18 9.729 8.968 -3.283 516 2HB GLN 18 1HB GLN 18 9.406 7.674 -2.132 517 1HG GLN 18 2HG GLN 18 9.157 6.142 -4.180 518 2HG GLN 18 1HG GLN 18 9.896 7.451 -5.102 519 1HE2 GLN 18 2HE2 GLN 18 12.780 5.447 -4.096 520 2HE2 GLN 18 1HE2 GLN 18 11.522 5.402 -5.233 521 H THR 19 H THR 19 7.842 10.556 -2.485 522 HA THR 19 HA THR 19 6.936 10.208 0.194 523 HB THR 19 HB THR 19 6.919 12.477 -1.806 524 HG1 THR 19 HG1 THR 19 8.801 11.545 -0.553 525 1HG2 THR 19 2HG2 THR 19 5.973 12.563 1.072 526 2HG2 THR 19 1HG2 THR 19 6.282 13.981 0.071 527 3HG2 THR 19 3HG2 THR 19 4.988 12.863 -0.359 528 H LYS 20 H LYS 20 5.154 10.667 -2.836 529 HA LYS 20 HA LYS 20 2.541 11.026 -1.669 530 1HB LYS 20 2HB LYS 20 3.473 9.898 -4.336 531 2HB LYS 20 1HB LYS 20 1.824 10.419 -3.986 532 1HG LYS 20 2HG LYS 20 3.684 12.494 -3.230 533 2HG LYS 20 1HG LYS 20 3.965 12.021 -4.906 534 1HD LYS 20 2HD LYS 20 2.039 12.973 -5.593 535 2HD LYS 20 1HD LYS 20 1.120 12.211 -4.295 536 1HE LYS 20 2HE LYS 20 0.920 14.475 -3.717 537 2HE LYS 20 1HE LYS 20 2.373 14.028 -2.799 538 1HZ LYS 20 1HZ LYS 20 2.379 15.091 -5.574 539 2HZ LYS 20 3HZ LYS 20 2.726 16.011 -4.192 540 3HZ LYS 20 2HZ LYS 20 3.745 14.725 -4.631 541 H VAL 21 H VAL 21 4.531 8.271 -2.520 542 HA VAL 21 HA VAL 21 2.466 6.252 -2.083 543 HB VAL 21 HB VAL 21 5.392 6.440 -2.687 544 1HG1 VAL 21 3HG1 VAL 21 4.033 3.996 -1.530 545 2HG1 VAL 21 2HG1 VAL 21 5.503 3.901 -2.499 546 3HG1 VAL 21 1HG1 VAL 21 5.512 4.778 -0.970 547 1HG2 VAL 21 1HG2 VAL 21 2.967 5.837 -4.046 548 2HG2 VAL 21 3HG2 VAL 21 4.599 5.878 -4.712 549 3HG2 VAL 21 2HG2 VAL 21 3.951 4.374 -4.058 550 H GLU 22 H GLU 22 4.685 8.072 -0.160 551 HA GLU 22 HA GLU 22 4.903 6.243 2.084 552 1HB GLU 22 2HB GLU 22 5.554 9.069 1.368 553 2HB GLU 22 1HB GLU 22 5.502 8.673 3.082 554 1HG GLU 22 2HG GLU 22 7.130 7.184 1.002 555 2HG GLU 22 1HG GLU 22 7.777 8.368 2.139 556 H GLU 23 H GLU 23 2.979 9.193 1.460 557 HA GLU 23 HA GLU 23 1.465 8.997 3.931 558 1HB GLU 23 2HB GLU 23 0.826 10.449 1.343 559 2HB GLU 23 1HB GLU 23 0.250 10.866 2.958 560 1HG GLU 23 2HG GLU 23 2.997 10.799 3.286 561 2HG GLU 23 1HG GLU 23 2.810 11.492 1.674 562 H LEU 24 H LEU 24 1.021 7.871 0.611 563 HA LEU 24 HA LEU 24 -1.754 7.125 0.846 564 1HB LEU 24 2HB LEU 24 -0.118 7.438 -1.192 565 2HB LEU 24 1HB LEU 24 0.254 5.737 -0.915 566 HG LEU 24 HG LEU 24 -2.083 5.128 -1.174 567 1HD1 LEU 24 2HD1 LEU 24 -2.443 8.000 -0.745 568 2HD1 LEU 24 1HD1 LEU 24 -3.379 7.400 -2.114 569 3HD1 LEU 24 3HD1 LEU 24 -3.590 6.680 -0.518 570 1HD2 LEU 24 3HD2 LEU 24 -0.971 6.966 -3.304 571 2HD2 LEU 24 2HD2 LEU 24 -0.938 5.203 -3.265 572 3HD2 LEU 24 1HD2 LEU 24 -2.460 6.050 -3.540 573 H ILE 25 H ILE 25 1.291 5.274 1.191 574 HA ILE 25 HA ILE 25 0.103 2.752 1.792 575 HB ILE 25 HB ILE 25 2.695 4.069 1.805 576 1HG1 ILE 25 2HG1 ILE 25 3.442 1.943 1.022 577 2HG1 ILE 25 1HG1 ILE 25 2.085 1.109 1.779 578 1HG2 ILE 25 3HG2 ILE 25 2.505 3.670 4.281 579 2HG2 ILE 25 2HG2 ILE 25 2.335 1.948 3.937 580 3HG2 ILE 25 1HG2 ILE 25 3.829 2.788 3.516 581 1HD1 ILE 25 1HD1 ILE 25 1.224 3.214 -0.063 582 2HD1 ILE 25 3HD1 ILE 25 2.180 1.962 -0.857 583 3HD1 ILE 25 2HD1 ILE 25 0.719 1.527 0.028 584 H ASN 26 H ASN 26 0.941 5.529 3.850 585 HA ASN 26 HA ASN 26 0.415 4.327 6.389 586 1HB ASN 26 2HB ASN 26 1.447 6.625 5.603 587 2HB ASN 26 1HB ASN 26 -0.217 7.194 5.736 588 1HD2 ASN 26 2HD2 ASN 26 1.640 7.490 9.053 589 2HD2 ASN 26 1HD2 ASN 26 2.083 7.945 7.479 590 H THR 27 H THR 27 -1.676 6.049 4.099 591 HA THR 27 HA THR 27 -4.079 6.060 5.654 592 HB THR 27 HB THR 27 -3.395 6.089 2.706 593 HG1 THR 27 HG1 THR 27 -3.805 7.910 4.729 594 1HG2 THR 27 1HG2 THR 27 -6.004 5.692 3.990 595 2HG2 THR 27 3HG2 THR 27 -5.965 7.074 2.893 596 3HG2 THR 27 2HG2 THR 27 -5.531 5.469 2.305 597 H LEU 28 H LEU 28 -2.623 3.614 3.528 598 HA LEU 28 HA LEU 28 -4.927 1.860 3.445 599 1HB LEU 28 2HB LEU 28 -1.972 1.685 2.887 600 2HB LEU 28 1HB LEU 28 -2.948 0.217 2.868 601 HG LEU 28 HG LEU 28 -4.029 2.557 1.382 602 1HD1 LEU 28 1HD1 LEU 28 -1.677 0.903 0.410 603 2HD1 LEU 28 3HD1 LEU 28 -2.631 1.992 -0.600 604 3HD1 LEU 28 2HD1 LEU 28 -1.669 2.639 0.731 605 1HD2 LEU 28 2HD2 LEU 28 -4.344 -0.314 1.532 606 2HD2 LEU 28 1HD2 LEU 28 -5.373 0.869 0.725 607 3HD2 LEU 28 3HD2 LEU 28 -3.998 0.169 -0.128 608 H GLN 29 H GLN 29 -1.972 1.967 5.430 609 HA GLN 29 HA GLN 29 -2.619 -0.331 7.053 610 1HB GLN 29 2HB GLN 29 -0.413 1.059 6.565 611 2HB GLN 29 1HB GLN 29 -0.945 1.992 7.964 612 1HG GLN 29 2HG GLN 29 -0.434 0.323 9.417 613 2HG GLN 29 1HG GLN 29 -1.114 -0.916 8.361 614 1HE2 GLN 29 2HE2 GLN 29 2.052 -1.931 7.230 615 2HE2 GLN 29 1HE2 GLN 29 0.413 -2.304 7.467 616 H GLN 30 H GLN 30 -3.809 2.863 6.884 617 HA GLN 30 HA GLN 30 -4.594 3.131 9.700 618 1HB GLN 30 2HB GLN 30 -5.013 4.620 7.105 619 2HB GLN 30 1HB GLN 30 -5.882 5.098 8.561 620 1HG GLN 30 2HG GLN 30 -3.111 4.665 9.193 621 2HG GLN 30 1HG GLN 30 -3.239 5.786 7.838 622 1HE2 GLN 30 2HE2 GLN 30 -4.276 7.023 11.543 623 2HE2 GLN 30 1HE2 GLN 30 -3.612 5.486 11.262 624 H LYS 31 H LYS 31 -6.295 2.711 6.586 625 HA LYS 31 HA LYS 31 -8.878 2.190 7.789 626 1HB LYS 31 2HB LYS 31 -7.561 2.092 5.123 627 2HB LYS 31 1HB LYS 31 -8.999 1.085 5.307 628 1HG LYS 31 2HG LYS 31 -10.350 2.963 5.917 629 2HG LYS 31 1HG LYS 31 -8.937 4.001 6.113 630 1HD LYS 31 2HD LYS 31 -8.527 3.322 3.571 631 2HD LYS 31 1HD LYS 31 -10.273 3.074 3.605 632 1HE LYS 31 2HE LYS 31 -10.162 5.468 4.855 633 2HE LYS 31 1HE LYS 31 -8.724 5.607 3.822 634 1HZ LYS 31 1HZ LYS 31 -10.389 4.486 2.116 635 2HZ LYS 31 3HZ LYS 31 -11.530 5.309 3.065 636 3HZ LYS 31 2HZ LYS 31 -10.284 6.173 2.295 637 H LEU 32 H LEU 32 -6.022 0.337 7.343 638 HA LEU 32 HA LEU 32 -7.305 -2.301 7.341 639 1HB LEU 32 2HB LEU 32 -5.017 -1.436 6.366 640 2HB LEU 32 1HB LEU 32 -4.430 -1.712 8.005 641 HG LEU 32 HG LEU 32 -5.106 -4.042 7.909 642 1HD1 LEU 32 1HD1 LEU 32 -6.437 -3.124 5.383 643 2HD1 LEU 32 3HD1 LEU 32 -5.903 -4.798 5.510 644 3HD1 LEU 32 2HD1 LEU 32 -7.073 -4.156 6.663 645 1HD2 LEU 32 1HD2 LEU 32 -3.572 -3.044 5.500 646 2HD2 LEU 32 3HD2 LEU 32 -2.919 -3.675 7.011 647 3HD2 LEU 32 2HD2 LEU 32 -3.726 -4.760 5.878 648 H GLU 33 H GLU 33 -5.446 -0.298 9.648 649 HA GLU 33 HA GLU 33 -5.672 -2.171 11.849 650 1HB GLU 33 2HB GLU 33 -3.899 -0.520 11.753 651 2HB GLU 33 1HB GLU 33 -5.065 0.794 11.605 652 1HG GLU 33 2HG GLU 33 -5.096 0.974 13.847 653 2HG GLU 33 1HG GLU 33 -5.772 -0.654 13.939 654 H ALA 34 H ALA 34 -7.780 0.135 10.411 655 HA ALA 34 HA ALA 34 -9.493 0.404 12.814 656 1HB ALA 34 3HB ALA 34 -9.200 1.630 10.109 657 2HB ALA 34 2HB ALA 34 -10.830 1.602 10.781 658 3HB ALA 34 1HB ALA 34 -9.529 2.408 11.657 659 H VAL 35 H VAL 35 -9.296 -1.194 9.700 660 HA VAL 35 HA VAL 35 -11.951 -2.271 9.571 661 HB VAL 35 HB VAL 35 -9.262 -2.680 8.364 662 1HG1 VAL 35 3HG1 VAL 35 -9.977 -5.001 8.978 663 2HG1 VAL 35 2HG1 VAL 35 -11.432 -4.757 8.012 664 3HG1 VAL 35 1HG1 VAL 35 -9.847 -4.740 7.239 665 1HG2 VAL 35 3HG2 VAL 35 -12.076 -2.499 7.261 666 2HG2 VAL 35 2HG2 VAL 35 -10.920 -1.173 7.372 667 3HG2 VAL 35 1HG2 VAL 35 -10.607 -2.527 6.287 668 H ALA 36 H ALA 36 -8.885 -3.448 10.968 669 HA ALA 36 HA ALA 36 -9.888 -6.006 11.837 670 1HB ALA 36 2HB ALA 36 -7.481 -5.145 11.548 671 2HB ALA 36 1HB ALA 36 -7.695 -4.348 13.107 672 3HB ALA 36 3HB ALA 36 -7.795 -6.104 12.995 673 H LYS 37 H LYS 37 -10.011 -2.751 13.156 674 HA LYS 37 HA LYS 37 -10.791 -3.570 15.850 675 1HB LYS 37 2HB LYS 37 -10.157 -1.176 14.338 676 2HB LYS 37 1HB LYS 37 -11.605 -0.920 15.311 677 1HG LYS 37 2HG LYS 37 -10.452 -1.001 17.266 678 2HG LYS 37 1HG LYS 37 -9.451 -2.348 16.723 679 1HD LYS 37 2HD LYS 37 -8.011 -0.864 15.471 680 2HD LYS 37 1HD LYS 37 -9.086 0.504 15.767 681 1HE LYS 37 2HE LYS 37 -8.665 -0.019 18.298 682 2HE LYS 37 1HE LYS 37 -7.240 -0.890 17.698 683 1HZ LYS 37 3HZ LYS 37 -7.830 1.770 16.611 684 2HZ LYS 37 2HZ LYS 37 -7.124 1.671 18.152 685 3HZ LYS 37 1HZ LYS 37 -6.335 0.996 16.808 686 H ARG 38 H ARG 38 -12.444 -2.814 12.837 687 HA ARG 38 HA ARG 38 -15.092 -2.620 14.060 688 1HB ARG 38 2HB ARG 38 -14.400 -3.197 11.170 689 2HB ARG 38 1HB ARG 38 -15.794 -2.323 11.799 690 1HG ARG 38 2HG ARG 38 -13.483 -0.993 12.770 691 2HG ARG 38 1HG ARG 38 -13.228 -1.283 11.048 692 1HD ARG 38 2HD ARG 38 -15.858 -0.462 11.091 693 2HD ARG 38 1HD ARG 38 -15.132 0.535 12.367 694 HE ARG 38 HE ARG 38 -13.280 0.969 10.580 695 1HH1 ARG 38 2HH1 ARG 38 -13.762 0.113 8.122 696 2HH1 ARG 38 1HH1 ARG 38 -15.015 1.076 7.413 697 1HH2 ARG 38 1HH2 ARG 38 -16.131 2.329 10.448 698 2HH2 ARG 38 2HH2 ARG 38 -16.355 2.332 8.731 699 H ILE 39 H ILE 39 -13.086 -5.066 12.517 700 HA ILE 39 HA ILE 39 -15.026 -7.142 12.213 701 HB ILE 39 HB ILE 39 -12.035 -6.936 12.529 702 1HG1 ILE 39 2HG1 ILE 39 -13.416 -6.433 10.379 703 2HG1 ILE 39 1HG1 ILE 39 -11.986 -7.451 10.229 704 1HG2 ILE 39 2HG2 ILE 39 -13.720 -9.403 12.707 705 2HG2 ILE 39 1HG2 ILE 39 -12.194 -9.492 11.826 706 3HG2 ILE 39 3HG2 ILE 39 -12.205 -9.020 13.525 707 1HD1 ILE 39 1HD1 ILE 39 -14.322 -9.045 10.889 708 2HD1 ILE 39 3HD1 ILE 39 -14.590 -8.103 9.426 709 3HD1 ILE 39 2HD1 ILE 39 -13.217 -9.200 9.524 710 H GLU 40 H GLU 40 -12.761 -6.375 14.865 711 HA GLU 40 HA GLU 40 -13.621 -8.479 16.623 712 1HB GLU 40 2HB GLU 40 -12.511 -7.013 18.338 713 2HB GLU 40 1HB GLU 40 -11.515 -7.254 16.902 714 1HG GLU 40 2HG GLU 40 -12.062 -5.090 16.046 715 2HG GLU 40 1HG GLU 40 -13.351 -4.872 17.231 716 H ALA 41 H ALA 41 -14.741 -5.205 15.956 717 HA ALA 41 HA ALA 41 -16.548 -4.825 18.111 718 1HB ALA 41 3HB ALA 41 -15.783 -3.462 15.887 719 2HB ALA 41 2HB ALA 41 -17.374 -4.017 15.365 720 3HB ALA 41 1HB ALA 41 -17.217 -3.032 16.819 721 H LEU 42 H LEU 42 -16.833 -6.643 15.091 722 HA LEU 42 HA LEU 42 -19.625 -7.405 15.502 723 1HB LEU 42 2HB LEU 42 -17.345 -8.215 13.685 724 2HB LEU 42 1HB LEU 42 -18.853 -9.112 13.669 725 HG LEU 42 HG LEU 42 -19.384 -7.606 12.035 726 1HD1 LEU 42 3HD1 LEU 42 -20.853 -7.056 14.030 727 2HD1 LEU 42 2HD1 LEU 42 -19.788 -5.683 14.333 728 3HD1 LEU 42 1HD1 LEU 42 -20.703 -5.774 12.828 729 1HD2 LEU 42 3HD2 LEU 42 -16.961 -6.525 12.733 730 2HD2 LEU 42 2HD2 LEU 42 -17.998 -5.925 11.443 731 3HD2 LEU 42 1HD2 LEU 42 -18.063 -5.185 13.041 732 H GLU 43 H GLU 43 -16.434 -8.788 16.120 733 HA GLU 43 HA GLU 43 -17.276 -11.413 16.921 734 1HB GLU 43 2HB GLU 43 -14.900 -9.716 17.764 735 2HB GLU 43 1HB GLU 43 -15.001 -11.475 17.869 736 1HG GLU 43 2HG GLU 43 -15.699 -10.994 15.249 737 2HG GLU 43 1HG GLU 43 -14.460 -9.775 15.544 738 H ASN 44 H ASN 44 -17.555 -8.340 18.428 739 HA ASN 44 HA ASN 44 -17.564 -9.210 21.198 740 1HB ASN 44 2HB ASN 44 -18.597 -6.794 19.684 741 2HB ASN 44 1HB ASN 44 -18.675 -6.924 21.441 742 1HD2 ASN 44 2HD2 ASN 44 -14.775 -7.319 20.644 743 2HD2 ASN 44 1HD2 ASN 44 -15.898 -8.575 20.447 744 H LYS 45 H LYS 45 -19.891 -9.084 18.590 745 HA LYS 45 HA LYS 45 -22.064 -9.917 20.477 746 1HB LYS 45 2HB LYS 45 -21.992 -8.502 17.803 747 2HB LYS 45 1HB LYS 45 -23.485 -9.182 18.452 748 1HG LYS 45 2HG LYS 45 -23.313 -6.820 19.078 749 2HG LYS 45 1HG LYS 45 -23.176 -7.831 20.517 750 1HD LYS 45 2HD LYS 45 -20.942 -7.356 20.811 751 2HD LYS 45 1HD LYS 45 -20.654 -7.139 19.083 752 1HE LYS 45 2HE LYS 45 -20.707 -4.902 19.504 753 2HE LYS 45 1HE LYS 45 -22.456 -5.094 19.739 754 1HZ LYS 45 2HZ LYS 45 -21.659 -6.003 22.050 755 2HZ LYS 45 1HZ LYS 45 -20.313 -5.014 21.738 756 3HZ LYS 45 3HZ LYS 45 -21.866 -4.335 21.798 757 H ILE 46 H ILE 46 -19.928 -11.031 18.075 758 HA ILE 46 HA ILE 46 -21.760 -13.241 17.245 759 HB ILE 46 HB ILE 46 -19.093 -12.222 16.201 760 1HG1 ILE 46 2HG1 ILE 46 -20.590 -10.667 15.361 761 2HG1 ILE 46 1HG1 ILE 46 -20.763 -11.913 14.132 762 1HG2 ILE 46 3HG2 ILE 46 -20.696 -14.655 15.600 763 2HG2 ILE 46 2HG2 ILE 46 -20.009 -13.795 14.222 764 3HG2 ILE 46 1HG2 ILE 46 -18.954 -14.399 15.500 765 1HD1 ILE 46 3HD1 ILE 46 -22.548 -11.650 16.569 766 2HD1 ILE 46 2HD1 ILE 46 -22.961 -11.070 14.955 767 3HD1 ILE 46 1HD1 ILE 46 -22.747 -12.796 15.244 768 H ILE 47 HN ILE 47 -19.132 -12.497 19.324 769 HA ILE 47 HA ILE 47 -17.584 -14.845 19.399 770 HB ILE 47 HB ILE 47 -16.975 -12.955 20.713 771 1HG1 ILE 47 2HG1 ILE 47 -17.988 -14.510 23.018 772 2HG1 ILE 47 1HG1 ILE 47 -17.086 -15.447 21.827 773 1HG2 ILE 47 2HG2 ILE 47 -19.842 -13.032 21.447 774 2HG2 ILE 47 1HG2 ILE 47 -18.749 -12.541 22.742 775 3HG2 ILE 47 3HG2 ILE 47 -18.774 -11.647 21.221 776 1HD1 ILE 47 2HD1 ILE 47 -15.849 -12.856 22.480 777 2HD1 ILE 47 1HD1 ILE 47 -15.938 -13.969 23.845 778 3HD1 ILE 47 3HD1 ILE 47 -15.115 -14.455 22.364 779 1H GLY 1 3H GLY 1 29.042 1.929 -5.786 780 2H GLY 1 2H GLY 1 27.703 1.120 -5.120 781 3H GLY 1 1H GLY 1 29.268 0.794 -4.546 782 1HA GLY 1 2HA GLY 1 28.738 -1.013 -5.923 783 2HA GLY 1 1HA GLY 1 28.094 0.064 -7.164 784 H SER 2 H SER 2 29.536 1.097 -8.578 785 HA SER 2 HA SER 2 32.216 -0.106 -8.752 786 1HB SER 2 2HB SER 2 30.749 0.206 -10.711 787 2HB SER 2 1HB SER 2 30.727 1.944 -10.426 788 HG SER 2 HG SER 2 33.218 1.431 -10.477 789 H HIS 3 H HIS 3 30.983 3.272 -8.733 790 HA HIS 3 HA HIS 3 33.622 4.114 -7.584 791 1HB HIS 3 2HB HIS 3 31.514 5.482 -9.276 792 2HB HIS 3 1HB HIS 3 32.848 6.362 -8.531 793 HD1 HIS 3 HD1 HIS 3 32.179 5.396 -11.704 794 HD2 HIS 3 HD2 HIS 3 35.317 4.302 -9.184 795 HE1 HIS 3 HE1 HIS 3 34.054 4.589 -13.203 796 H MET 4 H MET 4 33.559 5.696 -5.846 797 HA MET 4 HA MET 4 31.122 5.461 -4.157 798 1HB MET 4 2HB MET 4 34.035 5.941 -3.824 799 2HB MET 4 1HB MET 4 32.987 6.761 -2.666 800 1HG MET 4 2HG MET 4 32.179 4.771 -1.779 801 2HG MET 4 1HG MET 4 32.491 3.865 -3.260 802 1HE MET 4 2HE MET 4 33.021 2.172 -1.886 803 2HE MET 4 1HE MET 4 34.707 1.710 -1.667 804 3HE MET 4 3HE MET 4 33.800 2.424 -0.326 805 H GLU 5 H GLU 5 33.358 8.166 -4.022 806 HA GLU 5 HA GLU 5 33.023 10.484 -4.360 807 1HB GLU 5 2HB GLU 5 31.713 9.086 -6.426 808 2HB GLU 5 1HB GLU 5 30.552 10.291 -5.868 809 1HG GLU 5 2HG GLU 5 31.930 12.080 -6.421 810 2HG GLU 5 1HG GLU 5 33.403 11.117 -6.293 811 H GLU 6 H GLU 6 30.441 11.799 -4.578 812 HA GLU 6 HA GLU 6 29.425 11.286 -1.809 813 1HB GLU 6 2HB GLU 6 30.360 13.563 -3.164 814 2HB GLU 6 1HB GLU 6 28.611 13.773 -3.076 815 1HG GLU 6 2HG GLU 6 28.770 13.188 -0.611 816 2HG GLU 6 1HG GLU 6 30.522 13.297 -0.777 817 H ASP 7 H ASP 7 27.237 10.875 -1.511 818 HA ASP 7 HA ASP 7 25.600 9.658 -3.342 819 1HB ASP 7 2HB ASP 7 25.131 9.930 -0.941 820 2HB ASP 7 1HB ASP 7 24.810 11.647 -1.189 821 HA PRO 8 HA PRO 8 25.099 13.206 -6.114 822 1HB PRO 8 2HB PRO 8 24.543 11.694 -8.326 823 2HB PRO 8 1HB PRO 8 26.193 12.024 -7.767 824 1HG PRO 8 2HG PRO 8 24.554 9.571 -7.472 825 2HG PRO 8 1HG PRO 8 26.299 9.747 -7.688 826 1HD PRO 8 2HD PRO 8 25.056 9.213 -5.282 827 2HD PRO 8 1HD PRO 8 26.681 9.908 -5.456 828 H CYS 9 H CYS 9 23.014 10.410 -6.951 829 HA CYS 9 HA CYS 9 20.634 12.102 -6.288 830 1HB CYS 9 2HB CYS 9 21.485 10.666 -8.767 831 2HB CYS 9 1HB CYS 9 19.763 10.665 -8.381 832 H GLU 10 H GLU 10 21.772 10.130 -4.546 833 HA GLU 10 HA GLU 10 21.221 8.129 -3.398 834 1HB GLU 10 2HB GLU 10 18.646 9.409 -4.313 835 2HB GLU 10 1HB GLU 10 18.626 7.956 -3.314 836 1HG GLU 10 2HG GLU 10 19.067 9.165 -1.467 837 2HG GLU 10 1HG GLU 10 20.505 9.853 -2.222 838 H CYS 11 H CYS 11 22.071 7.575 -6.057 839 HA CYS 11 HA CYS 11 20.429 6.143 -7.765 840 1HB CYS 11 2HB CYS 11 23.275 5.989 -6.882 841 2HB CYS 11 1HB CYS 11 22.664 4.660 -7.874 842 H LYS 12 H LYS 12 21.603 5.161 -4.597 843 HA LYS 12 HA LYS 12 20.081 2.587 -4.891 844 1HB LYS 12 2HB LYS 12 22.408 3.101 -3.030 845 2HB LYS 12 1HB LYS 12 21.784 1.550 -3.590 846 1HG LYS 12 2HG LYS 12 23.266 3.622 -5.231 847 2HG LYS 12 1HG LYS 12 23.818 2.000 -4.810 848 1HD LYS 12 2HD LYS 12 21.325 1.600 -6.016 849 2HD LYS 12 1HD LYS 12 22.101 2.842 -7.000 850 1HE LYS 12 2HE LYS 12 24.176 1.063 -6.544 851 2HE LYS 12 1HE LYS 12 22.771 -0.004 -6.752 852 1HZ LYS 12 1HZ LYS 12 23.422 2.277 -8.542 853 2HZ LYS 12 3HZ LYS 12 23.811 0.661 -8.884 854 3HZ LYS 12 2HZ LYS 12 22.183 1.133 -8.759 855 H SER 13 H SER 13 20.301 5.566 -3.268 856 HA SER 13 HA SER 13 19.262 4.699 -0.673 857 1HB SER 13 2HB SER 13 19.975 7.210 -2.108 858 2HB SER 13 1HB SER 13 18.857 7.362 -0.757 859 HG SER 13 HG SER 13 21.319 7.374 -0.451 860 H ILE 14 H ILE 14 17.936 5.885 -3.699 861 HA ILE 14 HA ILE 14 15.231 6.331 -2.682 862 HB ILE 14 HB ILE 14 16.624 6.219 -5.361 863 1HG1 ILE 14 2HG1 ILE 14 15.105 8.551 -4.261 864 2HG1 ILE 14 1HG1 ILE 14 16.675 8.166 -3.559 865 1HG2 ILE 14 2HG2 ILE 14 14.279 5.357 -5.579 866 2HG2 ILE 14 1HG2 ILE 14 13.700 6.877 -4.899 867 3HG2 ILE 14 3HG2 ILE 14 14.549 6.870 -6.445 868 1HD1 ILE 14 2HD1 ILE 14 17.683 8.209 -5.826 869 2HD1 ILE 14 1HD1 ILE 14 16.116 8.666 -6.497 870 3HD1 ILE 14 3HD1 ILE 14 16.959 9.759 -5.400 871 H VAL 15 H VAL 15 16.959 3.842 -4.488 872 HA VAL 15 HA VAL 15 14.582 2.153 -4.810 873 HB VAL 15 HB VAL 15 17.411 1.206 -5.181 874 1HG1 VAL 15 2HG1 VAL 15 14.840 1.000 -6.778 875 2HG1 VAL 15 1HG1 VAL 15 16.374 0.277 -7.260 876 3HG1 VAL 15 3HG1 VAL 15 15.565 -0.269 -5.792 877 1HG2 VAL 15 1HG2 VAL 15 16.051 3.423 -6.726 878 2HG2 VAL 15 3HG2 VAL 15 17.699 3.380 -6.099 879 3HG2 VAL 15 2HG2 VAL 15 17.262 2.392 -7.487 880 H LYS 16 H LYS 16 17.035 2.740 -2.492 881 HA LYS 16 HA LYS 16 16.956 0.170 -1.122 882 1HB LYS 16 2HB LYS 16 18.879 1.524 -0.771 883 2HB LYS 16 1HB LYS 16 17.914 2.984 -0.546 884 1HG LYS 16 2HG LYS 16 17.178 0.958 1.386 885 2HG LYS 16 1HG LYS 16 18.907 1.299 1.462 886 1HD LYS 16 2HD LYS 16 17.844 3.823 1.221 887 2HD LYS 16 1HD LYS 16 16.628 3.007 2.204 888 1HE LYS 16 2HE LYS 16 18.808 2.115 3.488 889 2HE LYS 16 1HE LYS 16 19.472 3.637 2.861 890 1HZ LYS 16 3HZ LYS 16 17.062 4.441 3.625 891 2HZ LYS 16 2HZ LYS 16 17.312 3.203 4.763 892 3HZ LYS 16 1HZ LYS 16 18.413 4.491 4.650 893 H PHE 17 H PHE 17 15.385 3.339 -0.872 894 HA PHE 17 HA PHE 17 13.769 2.736 1.452 895 1HB PHE 17 2HB PHE 17 13.908 5.014 1.002 896 2HB PHE 17 1HB PHE 17 13.926 4.769 -0.743 897 HD1 PHE 17 HD1 PHE 17 11.847 4.445 -1.997 898 HD2 PHE 17 HD2 PHE 17 11.797 5.167 2.237 899 HE1 PHE 17 HE1 PHE 17 9.421 4.937 -2.112 900 HE2 PHE 17 HE2 PHE 17 9.366 5.661 2.121 901 HZ PHE 17 HZ PHE 17 8.176 5.546 -0.056 902 H GLN 18 H GLN 18 13.499 2.219 -2.021 903 HA GLN 18 HA GLN 18 10.732 1.572 -2.215 904 1HB GLN 18 2HB GLN 18 13.248 0.798 -3.679 905 2HB GLN 18 1HB GLN 18 11.696 0.112 -4.156 906 1HG GLN 18 2HG GLN 18 10.822 2.520 -4.214 907 2HG GLN 18 1HG GLN 18 12.513 3.018 -4.126 908 1HE2 GLN 18 2HE2 GLN 18 11.885 2.840 -7.722 909 2HE2 GLN 18 1HE2 GLN 18 11.538 3.863 -6.415 910 H THR 19 H THR 19 13.540 -0.501 -1.483 911 HA THR 19 HA THR 19 12.189 -2.997 -1.299 912 HB THR 19 HB THR 19 14.593 -1.742 0.039 913 HG1 THR 19 HG1 THR 19 14.304 -2.642 -2.255 914 1HG2 THR 19 2HG2 THR 19 13.421 -4.490 0.492 915 2HG2 THR 19 1HG2 THR 19 15.118 -4.118 0.802 916 3HG2 THR 19 3HG2 THR 19 13.853 -3.283 1.703 917 H LYS 20 H LYS 20 12.478 -0.324 1.005 918 HA LYS 20 HA LYS 20 11.299 -1.654 3.276 919 1HB LYS 20 2HB LYS 20 11.379 1.266 2.428 920 2HB LYS 20 1HB LYS 20 11.028 0.693 4.059 921 1HG LYS 20 2HG LYS 20 13.461 -0.526 3.107 922 2HG LYS 20 1HG LYS 20 13.571 1.227 2.941 923 1HD LYS 20 2HD LYS 20 13.759 1.501 5.169 924 2HD LYS 20 1HD LYS 20 12.338 0.498 5.467 925 1HE LYS 20 2HE LYS 20 14.001 -0.796 6.485 926 2HE LYS 20 1HE LYS 20 14.033 -1.470 4.844 927 1HZ LYS 20 2HZ LYS 20 15.730 0.141 4.246 928 2HZ LYS 20 1HZ LYS 20 15.716 0.775 5.823 929 3HZ LYS 20 3HZ LYS 20 16.256 -0.809 5.552 930 H VAL 21 H VAL 21 10.060 0.082 0.488 931 HA VAL 21 HA VAL 21 7.276 0.152 1.382 932 HB VAL 21 HB VAL 21 8.932 0.847 -1.009 933 1HG1 VAL 21 3HG1 VAL 21 5.922 0.488 -1.127 934 2HG1 VAL 21 2HG1 VAL 21 6.890 1.305 -2.355 935 3HG1 VAL 21 1HG1 VAL 21 7.118 -0.417 -2.055 936 1HG2 VAL 21 1HG2 VAL 21 7.370 2.154 1.061 937 2HG2 VAL 21 3HG2 VAL 21 8.585 2.840 -0.018 938 3HG2 VAL 21 2HG2 VAL 21 6.904 2.727 -0.541 939 H GLU 22 H GLU 22 9.384 -2.114 -0.142 940 HA GLU 22 HA GLU 22 7.379 -3.682 -1.541 941 1HB GLU 22 2HB GLU 22 10.262 -3.822 -0.776 942 2HB GLU 22 1HB GLU 22 9.482 -5.336 -1.223 943 1HG GLU 22 2HG GLU 22 9.416 -2.819 -2.911 944 2HG GLU 22 1HG GLU 22 10.530 -4.161 -3.171 945 H GLU 23 H GLU 23 9.138 -4.055 1.547 946 HA GLU 23 HA GLU 23 7.672 -6.434 2.346 947 1HB GLU 23 2HB GLU 23 9.239 -4.426 3.999 948 2HB GLU 23 1HB GLU 23 8.915 -6.110 4.414 949 1HG GLU 23 2HG GLU 23 10.058 -6.314 1.904 950 2HG GLU 23 1HG GLU 23 10.965 -4.991 2.637 951 H LEU 24 H LEU 24 7.318 -2.949 2.867 952 HA LEU 24 HA LEU 24 5.322 -3.081 4.940 953 1HB LEU 24 2HB LEU 24 6.835 -1.149 3.967 954 2HB LEU 24 1HB LEU 24 5.477 -0.904 2.867 955 HG LEU 24 HG LEU 24 3.954 -0.591 4.735 956 1HD1 LEU 24 2HD1 LEU 24 6.194 -1.797 6.201 957 2HD1 LEU 24 1HD1 LEU 24 5.501 -0.392 7.014 958 3HD1 LEU 24 3HD1 LEU 24 4.475 -1.767 6.601 959 1HD2 LEU 24 3HD2 LEU 24 6.532 0.982 4.858 960 2HD2 LEU 24 2HD2 LEU 24 5.005 1.450 4.112 961 3HD2 LEU 24 1HD2 LEU 24 5.146 1.390 5.868 962 H ILE 25 H ILE 25 5.078 -2.711 1.388 963 HA ILE 25 HA ILE 25 2.236 -2.620 1.237 964 HB ILE 25 HB ILE 25 4.564 -2.901 -0.490 965 1HG1 ILE 25 2HG1 ILE 25 3.303 -1.453 -1.906 966 2HG1 ILE 25 1HG1 ILE 25 1.772 -1.996 -1.219 967 1HG2 ILE 25 3HG2 ILE 25 3.489 -5.143 -0.937 968 2HG2 ILE 25 2HG2 ILE 25 2.052 -4.279 -1.483 969 3HG2 ILE 25 1HG2 ILE 25 3.577 -4.090 -2.349 970 1HD1 ILE 25 1HD1 ILE 25 3.600 -0.931 0.807 971 2HD1 ILE 25 3HD1 ILE 25 3.183 0.258 -0.428 972 3HD1 ILE 25 2HD1 ILE 25 1.909 -0.534 0.500 973 H ASN 26 H ASN 26 4.502 -5.369 1.341 974 HA ASN 26 HA ASN 26 2.598 -7.446 0.830 975 1HB ASN 26 2HB ASN 26 5.234 -7.353 1.066 976 2HB ASN 26 1HB ASN 26 4.888 -7.757 2.748 977 1HD2 ASN 26 2HD2 ASN 26 5.123 -10.839 0.438 978 2HD2 ASN 26 1HD2 ASN 26 6.077 -9.435 0.457 979 H THR 27 H THR 27 3.668 -5.878 3.826 980 HA THR 27 HA THR 27 2.170 -7.461 5.677 981 HB THR 27 HB THR 27 3.262 -4.642 5.616 982 HG1 THR 27 HG1 THR 27 4.308 -6.992 6.016 983 1HG2 THR 27 1HG2 THR 27 1.451 -5.911 7.586 984 2HG2 THR 27 3HG2 THR 27 2.868 -5.106 8.260 985 3HG2 THR 27 2HG2 THR 27 1.737 -4.203 7.253 986 H LEU 28 H LEU 28 1.311 -4.640 3.707 987 HA LEU 28 HA LEU 28 -1.234 -4.128 4.996 988 1HB LEU 28 2HB LEU 28 0.144 -3.401 2.417 989 2HB LEU 28 1HB LEU 28 -1.555 -2.984 2.643 990 HG LEU 28 HG LEU 28 0.314 -2.339 4.873 991 1HD1 LEU 28 2HD1 LEU 28 1.461 -1.637 2.717 992 2HD1 LEU 28 1HD1 LEU 28 0.085 -0.575 2.420 993 3HD1 LEU 28 3HD1 LEU 28 1.108 -0.319 3.834 994 1HD2 LEU 28 2HD2 LEU 28 -2.343 -1.659 3.939 995 2HD2 LEU 28 1HD2 LEU 28 -1.603 -1.329 5.506 996 3HD2 LEU 28 3HD2 LEU 28 -1.384 -0.197 4.171 997 H GLN 29 H GLN 29 -0.230 -5.962 2.122 998 HA GLN 29 HA GLN 29 -2.903 -6.812 1.393 999 1HB GLN 29 2HB GLN 29 -0.574 -6.669 0.127 1000 2HB GLN 29 1HB GLN 29 -0.383 -8.310 0.741 1001 1HG GLN 29 2HG GLN 29 -1.996 -9.153 -0.634 1002 2HG GLN 29 1HG GLN 29 -3.014 -7.721 -0.476 1003 1HE2 GLN 29 2HE2 GLN 29 -1.940 -6.427 -3.558 1004 2HE2 GLN 29 1HE2 GLN 29 -3.135 -6.490 -2.352 1005 H GLN 30 H GLN 30 -0.706 -7.661 3.856 1006 HA GLN 30 HA GLN 30 -1.527 -10.458 4.172 1007 1HB GLN 30 2HB GLN 30 0.162 -8.436 5.649 1008 2HB GLN 30 1HB GLN 30 -0.196 -10.005 6.370 1009 1HG GLN 30 2HG GLN 30 0.608 -10.339 3.620 1010 2HG GLN 30 1HG GLN 30 1.826 -9.418 4.500 1011 1HE2 GLN 30 2HE2 GLN 30 1.479 -13.370 5.183 1012 2HE2 GLN 30 1HE2 GLN 30 0.635 -12.583 3.940 1013 H LYS 31 H LYS 31 -1.916 -7.442 6.050 1014 HA LYS 31 HA LYS 31 -3.854 -8.538 7.891 1015 1HB LYS 31 2HB LYS 31 -2.677 -5.914 7.138 1016 2HB LYS 31 1HB LYS 31 -4.254 -5.843 7.924 1017 1HG LYS 31 2HG LYS 31 -3.457 -7.021 9.846 1018 2HG LYS 31 1HG LYS 31 -1.961 -7.475 9.031 1019 1HD LYS 31 2HD LYS 31 -1.669 -4.852 8.801 1020 2HD LYS 31 1HD LYS 31 -2.760 -4.830 10.188 1021 1HE LYS 31 2HE LYS 31 -1.029 -6.770 10.987 1022 2HE LYS 31 1HE LYS 31 0.059 -5.743 10.032 1023 1HZ LYS 31 1HZ LYS 31 -1.333 -3.882 11.278 1024 2HZ LYS 31 3HZ LYS 31 -1.450 -5.102 12.449 1025 3HZ LYS 31 2HZ LYS 31 0.077 -4.553 11.948 1026 H LEU 32 H LEU 32 -3.999 -7.451 4.633 1027 HA LEU 32 HA LEU 32 -6.848 -6.742 4.633 1028 1HB LEU 32 2HB LEU 32 -4.808 -5.953 3.158 1029 2HB LEU 32 1HB LEU 32 -5.184 -7.397 2.217 1030 HG LEU 32 HG LEU 32 -7.469 -6.633 1.877 1031 1HD1 LEU 32 1HD1 LEU 32 -6.614 -4.498 3.822 1032 2HD1 LEU 32 3HD1 LEU 32 -7.921 -4.191 2.681 1033 3HD1 LEU 32 2HD1 LEU 32 -8.063 -5.501 3.851 1034 1HD2 LEU 32 1HD2 LEU 32 -5.248 -4.679 1.288 1035 2HD2 LEU 32 3HD2 LEU 32 -6.051 -5.797 0.186 1036 3HD2 LEU 32 2HD2 LEU 32 -6.899 -4.358 0.753 1037 H GLU 33 H GLU 33 -4.828 -9.442 3.428 1038 HA GLU 33 HA GLU 33 -7.063 -10.986 2.422 1039 1HB GLU 33 2HB GLU 33 -4.821 -11.329 1.587 1040 2HB GLU 33 1HB GLU 33 -4.201 -11.607 3.215 1041 1HG GLU 33 2HG GLU 33 -4.599 -13.805 2.950 1042 2HG GLU 33 1HG GLU 33 -6.322 -13.446 2.841 1043 H ALA 34 H ALA 34 -5.749 -10.392 5.539 1044 HA ALA 34 HA ALA 34 -6.907 -12.826 6.767 1045 1HB ALA 34 3HB ALA 34 -5.052 -10.607 7.449 1046 2HB ALA 34 2HB ALA 34 -6.036 -11.197 8.789 1047 3HB ALA 34 1HB ALA 34 -4.977 -12.306 7.916 1048 H VAL 35 H VAL 35 -7.393 -9.361 6.472 1049 HA VAL 35 HA VAL 35 -9.540 -9.034 8.335 1050 HB VAL 35 HB VAL 35 -8.295 -7.637 6.020 1051 1HG1 VAL 35 3HG1 VAL 35 -10.758 -7.531 5.528 1052 2HG1 VAL 35 2HG1 VAL 35 -10.979 -6.736 7.086 1053 3HG1 VAL 35 1HG1 VAL 35 -10.018 -5.960 5.827 1054 1HG2 VAL 35 2HG2 VAL 35 -7.591 -7.266 8.358 1055 2HG2 VAL 35 1HG2 VAL 35 -8.233 -5.788 7.642 1056 3HG2 VAL 35 3HG2 VAL 35 -9.223 -6.728 8.759 1057 H ALA 36 H ALA 36 -9.419 -9.940 4.887 1058 HA ALA 36 HA ALA 36 -12.288 -9.994 4.500 1059 1HB ALA 36 2HB ALA 36 -10.352 -9.875 2.797 1060 2HB ALA 36 1HB ALA 36 -10.191 -11.616 3.037 1061 3HB ALA 36 3HB ALA 36 -11.691 -10.949 2.391 1062 H LYS 37 H LYS 37 -9.915 -12.208 5.808 1063 HA LYS 37 HA LYS 37 -11.625 -14.579 5.655 1064 1HB LYS 37 2HB LYS 37 -8.921 -13.821 6.392 1065 2HB LYS 37 1HB LYS 37 -9.614 -14.881 7.620 1066 1HG LYS 37 2HG LYS 37 -9.598 -16.679 6.242 1067 2HG LYS 37 1HG LYS 37 -10.193 -15.740 4.872 1068 1HD LYS 37 2HD LYS 37 -7.982 -14.894 4.400 1069 2HD LYS 37 1HD LYS 37 -7.343 -15.600 5.883 1070 1HE LYS 37 2HE LYS 37 -8.246 -17.861 4.852 1071 2HE LYS 37 1HE LYS 37 -8.114 -16.966 3.324 1072 1HZ LYS 37 3HZ LYS 37 -5.928 -16.820 5.288 1073 2HZ LYS 37 2HZ LYS 37 -6.036 -18.177 4.270 1074 3HZ LYS 37 1HZ LYS 37 -5.871 -16.624 3.604 1075 H ARG 38 H ARG 38 -11.032 -11.985 7.938 1076 HA ARG 38 HA ARG 38 -12.380 -13.308 10.170 1077 1HB ARG 38 2HB ARG 38 -11.781 -10.366 9.756 1078 2HB ARG 38 1HB ARG 38 -11.894 -11.240 11.284 1079 1HG ARG 38 2HG ARG 38 -9.936 -12.556 9.680 1080 2HG ARG 38 1HG ARG 38 -9.579 -10.829 9.654 1081 1HD ARG 38 2HD ARG 38 -10.220 -11.290 12.319 1082 2HD ARG 38 1HD ARG 38 -9.295 -12.733 11.858 1083 HE ARG 38 HE ARG 38 -7.610 -11.052 10.861 1084 1HH1 ARG 38 2HH1 ARG 38 -7.966 -8.479 11.195 1085 2HH1 ARG 38 1HH1 ARG 38 -7.734 -8.061 12.860 1086 1HH2 ARG 38 1HH2 ARG 38 -8.071 -11.323 13.998 1087 2HH2 ARG 38 2HH2 ARG 38 -7.796 -9.673 14.450 1088 H ILE 39 H ILE 39 -13.154 -11.013 7.609 1089 HA ILE 39 HA ILE 39 -15.747 -10.202 8.505 1090 HB ILE 39 HB ILE 39 -14.263 -10.402 5.892 1091 1HG1 ILE 39 2HG1 ILE 39 -13.958 -8.590 7.733 1092 2HG1 ILE 39 1HG1 ILE 39 -14.128 -8.053 6.064 1093 1HG2 ILE 39 2HG2 ILE 39 -17.189 -9.859 6.290 1094 2HG2 ILE 39 1HG2 ILE 39 -16.313 -9.013 5.015 1095 3HG2 ILE 39 3HG2 ILE 39 -16.390 -10.775 5.012 1096 1HD1 ILE 39 1HD1 ILE 39 -16.727 -8.347 7.326 1097 2HD1 ILE 39 3HD1 ILE 39 -15.697 -7.254 8.245 1098 3HD1 ILE 39 2HD1 ILE 39 -16.020 -6.932 6.545 1099 H GLU 40 H GLU 40 -14.681 -12.857 6.364 1100 HA GLU 40 HA GLU 40 -17.300 -13.940 5.893 1101 1HB GLU 40 2HB GLU 40 -15.976 -15.944 5.220 1102 2HB GLU 40 1HB GLU 40 -15.302 -14.460 4.548 1103 1HG GLU 40 2HG GLU 40 -13.567 -14.399 6.200 1104 2HG GLU 40 1HG GLU 40 -14.332 -15.680 7.140 1105 H ALA 41 H ALA 41 -14.901 -14.336 8.450 1106 HA ALA 41 HA ALA 41 -15.981 -16.591 9.807 1107 1HB ALA 41 3HB ALA 41 -13.895 -14.893 10.146 1108 2HB ALA 41 2HB ALA 41 -14.984 -14.267 11.386 1109 3HB ALA 41 1HB ALA 41 -14.471 -15.954 11.433 1110 H LEU 42 H LEU 42 -16.868 -13.166 9.841 1111 HA LEU 42 HA LEU 42 -18.931 -13.460 11.885 1112 1HB LEU 42 2HB LEU 42 -18.058 -11.370 9.885 1113 2HB LEU 42 1HB LEU 42 -19.550 -11.149 10.784 1114 HG LEU 42 HG LEU 42 -18.150 -10.090 12.250 1115 1HD1 LEU 42 3HD1 LEU 42 -18.930 -12.242 13.375 1116 2HD1 LEU 42 2HD1 LEU 42 -17.317 -12.881 13.056 1117 3HD1 LEU 42 1HD1 LEU 42 -17.516 -11.468 14.092 1118 1HD2 LEU 42 2HD2 LEU 42 -16.230 -10.520 10.608 1119 2HD2 LEU 42 1HD2 LEU 42 -15.792 -10.303 12.302 1120 3HD2 LEU 42 3HD2 LEU 42 -15.845 -11.922 11.606 1121 H GLU 43 H GLU 43 -18.729 -13.560 8.370 1122 HA GLU 43 HA GLU 43 -21.561 -13.527 7.820 1123 1HB GLU 43 2HB GLU 43 -19.207 -14.735 6.328 1124 2HB GLU 43 1HB GLU 43 -20.780 -14.348 5.625 1125 1HG GLU 43 2HG GLU 43 -20.071 -11.998 6.894 1126 2HG GLU 43 1HG GLU 43 -18.536 -12.576 6.248 1127 H ASN 44 H ASN 44 -19.442 -15.895 9.126 1128 HA ASN 44 HA ASN 44 -20.860 -18.282 8.281 1129 1HB ASN 44 2HB ASN 44 -18.924 -17.567 10.500 1130 2HB ASN 44 1HB ASN 44 -19.520 -19.209 10.267 1131 1HD2 ASN 44 2HD2 ASN 44 -17.835 -18.291 6.753 1132 2HD2 ASN 44 1HD2 ASN 44 -19.366 -17.733 7.221 1133 H LYS 45 H LYS 45 -21.225 -15.919 10.836 1134 HA LYS 45 HA LYS 45 -23.423 -17.552 12.058 1135 1HB LYS 45 2HB LYS 45 -21.529 -15.418 13.064 1136 2HB LYS 45 1HB LYS 45 -22.973 -15.869 13.970 1137 1HG LYS 45 2HG LYS 45 -21.051 -17.168 14.764 1138 2HG LYS 45 1HG LYS 45 -22.211 -18.234 13.969 1139 1HD LYS 45 2HD LYS 45 -20.836 -18.617 12.165 1140 2HD LYS 45 1HD LYS 45 -20.085 -17.024 12.265 1141 1HE LYS 45 2HE LYS 45 -18.323 -18.009 13.298 1142 2HE LYS 45 1HE LYS 45 -19.395 -18.361 14.668 1143 1HZ LYS 45 2HZ LYS 45 -20.230 -20.233 13.077 1144 2HZ LYS 45 1HZ LYS 45 -18.692 -20.061 12.378 1145 3HZ LYS 45 3HZ LYS 45 -18.835 -20.473 14.016 1146 H ILE 46 H ILE 46 -22.751 -14.823 10.120 1147 HA ILE 46 HA ILE 46 -25.299 -13.470 10.886 1148 HB ILE 46 HB ILE 46 -22.915 -12.652 9.187 1149 1HG1 ILE 46 2HG1 ILE 46 -22.115 -12.298 11.322 1150 2HG1 ILE 46 1HG1 ILE 46 -23.031 -10.809 11.146 1151 1HG2 ILE 46 3HG2 ILE 46 -25.594 -11.408 9.643 1152 2HG2 ILE 46 2HG2 ILE 46 -24.189 -10.346 9.538 1153 3HG2 ILE 46 1HG2 ILE 46 -24.590 -11.412 8.193 1154 1HD1 ILE 46 1HD1 ILE 46 -24.985 -11.918 12.236 1155 2HD1 ILE 46 3HD1 ILE 46 -23.989 -13.350 12.495 1156 3HD1 ILE 46 2HD1 ILE 46 -23.575 -11.833 13.294 1157 H ILE 47 HN ILE 47 -23.945 -15.590 8.577 1158 HA ILE 47 HA ILE 47 -25.221 -14.921 6.152 1159 HB ILE 47 HB ILE 47 -23.626 -16.691 6.237 1160 1HG1 ILE 47 2HG1 ILE 47 -25.973 -18.490 6.060 1161 2HG1 ILE 47 1HG1 ILE 47 -26.045 -17.059 5.031 1162 1HG2 ILE 47 2HG2 ILE 47 -25.227 -17.492 8.598 1163 2HG2 ILE 47 1HG2 ILE 47 -24.578 -18.821 7.639 1164 3HG2 ILE 47 3HG2 ILE 47 -23.490 -17.614 8.325 1165 1HD1 ILE 47 2HD1 ILE 47 -23.414 -18.349 5.002 1166 2HD1 ILE 47 1HD1 ILE 47 -24.703 -19.404 4.424 1167 3HD1 ILE 47 3HD1 ILE 47 -24.430 -17.842 3.652 No H/Q in entry = 1167 Start of MODEL 10 1 1H GLY 1 3H GLY 1 22.208 9.754 -32.073 2 2H GLY 1 2H GLY 1 23.495 10.781 -32.490 3 3H GLY 1 1H GLY 1 23.047 10.596 -30.862 4 1HA GLY 1 2HA GLY 1 22.233 12.697 -31.662 5 2HA GLY 1 1HA GLY 1 21.432 11.873 -33.000 6 H SER 2 H SER 2 19.416 11.015 -32.656 7 HA SER 2 HA SER 2 18.245 11.386 -29.939 8 1HB SER 2 2HB SER 2 17.445 11.995 -32.546 9 2HB SER 2 1HB SER 2 16.475 10.586 -32.124 10 HG SER 2 HG SER 2 15.479 12.523 -31.453 11 H HIS 3 H HIS 3 16.236 9.588 -29.868 12 HA HIS 3 HA HIS 3 15.745 7.308 -29.466 13 1HB HIS 3 2HB HIS 3 17.295 7.541 -31.951 14 2HB HIS 3 1HB HIS 3 17.420 5.948 -31.206 15 HD1 HIS 3 HD1 HIS 3 15.951 5.190 -33.360 16 HD2 HIS 3 HD2 HIS 3 13.990 7.570 -30.554 17 HE1 HIS 3 HE1 HIS 3 13.472 4.943 -33.817 18 H MET 4 H MET 4 17.089 5.097 -29.061 19 HA MET 4 HA MET 4 18.670 4.020 -27.669 20 1HB MET 4 2HB MET 4 20.015 6.093 -29.263 21 2HB MET 4 1HB MET 4 20.899 5.649 -27.803 22 1HG MET 4 2HG MET 4 20.830 3.293 -28.429 23 2HG MET 4 1HG MET 4 19.840 3.668 -29.839 24 1HE MET 4 3HE MET 4 21.069 2.764 -31.598 25 2HE MET 4 2HE MET 4 22.786 2.941 -31.957 26 3HE MET 4 1HE MET 4 22.279 2.006 -30.552 27 H GLU 5 H GLU 5 20.135 4.500 -25.671 28 HA GLU 5 HA GLU 5 19.874 6.980 -24.235 29 1HB GLU 5 2HB GLU 5 18.100 6.384 -22.704 30 2HB GLU 5 1HB GLU 5 17.494 6.106 -24.338 31 1HG GLU 5 2HG GLU 5 18.386 3.684 -24.017 32 2HG GLU 5 1HG GLU 5 18.397 4.081 -22.298 33 H GLU 6 H GLU 6 19.703 5.838 -21.598 34 HA GLU 6 HA GLU 6 21.823 3.763 -21.465 35 1HB GLU 6 2HB GLU 6 22.140 6.662 -21.005 36 2HB GLU 6 1HB GLU 6 22.768 5.654 -19.700 37 1HG GLU 6 2HG GLU 6 23.489 4.534 -22.270 38 2HG GLU 6 1HG GLU 6 24.026 6.210 -22.159 39 H ASP 7 H ASP 7 22.385 3.839 -18.801 40 HA ASP 7 HA ASP 7 20.208 4.361 -17.043 41 1HB ASP 7 2HB ASP 7 19.193 2.613 -18.518 42 2HB ASP 7 1HB ASP 7 20.469 1.501 -18.019 43 HA PRO 8 HA PRO 8 24.262 3.053 -15.219 44 1HB PRO 8 2HB PRO 8 24.720 5.365 -13.830 45 2HB PRO 8 1HB PRO 8 25.226 5.139 -15.516 46 1HG PRO 8 2HG PRO 8 22.890 6.616 -14.424 47 2HG PRO 8 1HG PRO 8 23.923 7.000 -15.807 48 1HD PRO 8 2HD PRO 8 21.422 5.886 -16.011 49 2HD PRO 8 1HD PRO 8 22.696 5.718 -17.239 50 H CYS 9 H CYS 9 21.697 5.030 -13.706 51 HA CYS 9 HA CYS 9 21.856 3.260 -11.292 52 1HB CYS 9 2HB CYS 9 21.269 6.174 -11.782 53 2HB CYS 9 1HB CYS 9 20.677 5.389 -10.317 54 H GLU 10 H GLU 10 20.366 2.129 -13.251 55 HA GLU 10 HA GLU 10 18.179 1.520 -13.930 56 1HB GLU 10 2HB GLU 10 18.124 2.050 -10.955 57 2HB GLU 10 1HB GLU 10 16.707 1.416 -11.794 58 1HG GLU 10 2HG GLU 10 17.783 -0.582 -12.376 59 2HG GLU 10 1HG GLU 10 19.392 0.114 -12.176 60 H CYS 11 H CYS 11 18.727 4.259 -14.528 61 HA CYS 11 HA CYS 11 17.098 6.274 -13.613 62 1HB CYS 11 2HB CYS 11 18.127 5.416 -16.275 63 2HB CYS 11 1HB CYS 11 16.924 6.711 -16.258 64 H LYS 12 H LYS 12 16.079 3.473 -15.507 65 HA LYS 12 HA LYS 12 13.249 4.443 -15.263 66 1HB LYS 12 2HB LYS 12 14.661 2.839 -17.416 67 2HB LYS 12 1HB LYS 12 12.918 3.111 -17.382 68 1HG LYS 12 2HG LYS 12 13.301 5.034 -18.495 69 2HG LYS 12 1HG LYS 12 14.022 5.653 -17.009 70 1HD LYS 12 2HD LYS 12 16.213 4.710 -17.708 71 2HD LYS 12 1HD LYS 12 15.480 4.180 -19.223 72 1HE LYS 12 2HE LYS 12 14.726 6.774 -19.278 73 2HE LYS 12 1HE LYS 12 16.238 6.925 -18.358 74 1HZ LYS 12 1HZ LYS 12 16.008 5.311 -20.834 75 2HZ LYS 12 3HZ LYS 12 16.502 6.934 -20.842 76 3HZ LYS 12 2HZ LYS 12 17.428 5.770 -20.022 77 H SER 13 H SER 13 15.473 2.108 -14.275 78 HA SER 13 HA SER 13 13.639 -0.183 -14.163 79 1HB SER 13 2HB SER 13 16.444 0.519 -13.445 80 2HB SER 13 1HB SER 13 15.726 -0.835 -12.580 81 HG SER 13 HG SER 13 15.490 -1.911 -14.451 82 H ILE 14 H ILE 14 14.695 2.400 -12.048 83 HA ILE 14 HA ILE 14 13.528 1.278 -9.608 84 HB ILE 14 HB ILE 14 14.690 3.943 -10.470 85 1HG1 ILE 14 2HG1 ILE 14 15.832 2.098 -8.405 86 2HG1 ILE 14 1HG1 ILE 14 16.023 1.692 -10.106 87 1HG2 ILE 14 1HG2 ILE 14 13.777 3.073 -7.710 88 2HG2 ILE 14 3HG2 ILE 14 14.694 4.537 -8.059 89 3HG2 ILE 14 2HG2 ILE 14 13.057 4.353 -8.686 90 1HD1 ILE 14 2HD1 ILE 14 17.019 3.915 -10.529 91 2HD1 ILE 14 1HD1 ILE 14 16.848 4.312 -8.819 92 3HD1 ILE 14 3HD1 ILE 14 17.941 3.021 -9.321 93 H VAL 15 H VAL 15 12.778 3.837 -11.932 94 HA VAL 15 HA VAL 15 10.257 4.570 -10.663 95 HB VAL 15 HB VAL 15 10.970 5.160 -13.529 96 1HG1 VAL 15 1HG1 VAL 15 9.746 6.668 -11.208 97 2HG1 VAL 15 3HG1 VAL 15 10.210 7.460 -12.713 98 3HG1 VAL 15 2HG1 VAL 15 8.971 6.204 -12.723 99 1HG2 VAL 15 3HG2 VAL 15 12.479 6.053 -11.069 100 2HG2 VAL 15 2HG2 VAL 15 13.122 5.510 -12.618 101 3HG2 VAL 15 1HG2 VAL 15 12.377 7.098 -12.486 102 H LYS 16 H LYS 16 11.348 2.167 -12.901 103 HA LYS 16 HA LYS 16 8.802 1.618 -14.202 104 1HB LYS 16 2HB LYS 16 10.721 0.812 -15.325 105 2HB LYS 16 1HB LYS 16 11.470 0.254 -13.830 106 1HG LYS 16 2HG LYS 16 10.555 -1.579 -15.342 107 2HG LYS 16 1HG LYS 16 9.985 -1.617 -13.673 108 1HD LYS 16 2HD LYS 16 7.852 -1.364 -14.345 109 2HD LYS 16 1HD LYS 16 8.273 0.090 -15.252 110 1HE LYS 16 2HE LYS 16 7.561 -1.289 -16.995 111 2HE LYS 16 1HE LYS 16 9.284 -1.713 -16.956 112 1HZ LYS 16 2HZ LYS 16 8.452 -3.320 -15.076 113 2HZ LYS 16 1HZ LYS 16 6.980 -3.202 -15.917 114 3HZ LYS 16 3HZ LYS 16 8.364 -3.778 -16.710 115 H PHE 17 H PHE 17 10.644 0.277 -11.472 116 HA PHE 17 HA PHE 17 8.684 -1.675 -10.668 117 1HB PHE 17 2HB PHE 17 10.780 -2.019 -9.729 118 2HB PHE 17 1HB PHE 17 11.099 -0.293 -9.563 119 HD1 PHE 17 HD1 PHE 17 9.422 -3.220 -8.058 120 HD2 PHE 17 HD2 PHE 17 10.363 0.945 -7.625 121 HE1 PHE 17 HE1 PHE 17 8.719 -3.306 -5.683 122 HE2 PHE 17 HE2 PHE 17 9.663 0.863 -5.250 123 HZ PHE 17 HZ PHE 17 8.840 -1.267 -4.275 124 H GLN 18 H GLN 18 9.077 1.775 -10.155 125 HA GLN 18 HA GLN 18 7.316 2.129 -7.930 126 1HB GLN 18 2HB GLN 18 8.360 3.784 -10.203 127 2HB GLN 18 1HB GLN 18 7.099 4.456 -9.168 128 1HG GLN 18 2HG GLN 18 8.516 3.895 -7.176 129 2HG GLN 18 1HG GLN 18 9.802 3.413 -8.283 130 1HE2 GLN 18 2HE2 GLN 18 10.350 6.999 -7.395 131 2HE2 GLN 18 1HE2 GLN 18 10.292 5.547 -6.522 132 H THR 19 H THR 19 6.685 2.219 -11.445 133 HA THR 19 HA THR 19 3.906 2.834 -11.348 134 HB THR 19 HB THR 19 5.682 1.233 -13.207 135 HG1 THR 19 HG1 THR 19 5.362 3.731 -12.851 136 1HG2 THR 19 3HG2 THR 19 2.705 1.634 -13.296 137 2HG2 THR 19 2HG2 THR 19 3.623 1.553 -14.800 138 3HG2 THR 19 1HG2 THR 19 3.644 0.191 -13.680 139 H LYS 20 H LYS 20 5.640 -0.250 -11.012 140 HA LYS 20 HA LYS 20 3.340 -1.970 -10.941 141 1HB LYS 20 2HB LYS 20 6.171 -2.058 -9.876 142 2HB LYS 20 1HB LYS 20 5.053 -3.394 -9.594 143 1HG LYS 20 2HG LYS 20 4.984 -2.550 -12.372 144 2HG LYS 20 1HG LYS 20 6.622 -2.986 -11.884 145 1HD LYS 20 2HD LYS 20 5.356 -5.042 -10.756 146 2HD LYS 20 1HD LYS 20 4.167 -4.686 -12.010 147 1HE LYS 20 2HE LYS 20 5.556 -6.121 -13.202 148 2HE LYS 20 1HE LYS 20 6.388 -4.587 -13.528 149 1HZ LYS 20 1HZ LYS 20 6.965 -6.223 -11.128 150 2HZ LYS 20 3HZ LYS 20 7.808 -6.438 -12.583 151 3HZ LYS 20 2HZ LYS 20 7.883 -4.948 -11.772 152 H VAL 21 H VAL 21 5.006 0.010 -8.561 153 HA VAL 21 HA VAL 21 3.512 -0.972 -6.252 154 HB VAL 21 HB VAL 21 5.549 1.088 -6.961 155 1HG1 VAL 21 3HG1 VAL 21 3.825 1.289 -4.476 156 2HG1 VAL 21 2HG1 VAL 21 5.333 2.168 -4.724 157 3HG1 VAL 21 1HG1 VAL 21 3.947 2.485 -5.766 158 1HG2 VAL 21 2HG2 VAL 21 5.188 -1.185 -5.072 159 2HG2 VAL 21 1HG2 VAL 21 6.581 -0.757 -6.065 160 3HG2 VAL 21 3HG2 VAL 21 6.266 0.116 -4.566 161 H GLU 22 H GLU 22 3.030 1.348 -8.779 162 HA GLU 22 HA GLU 22 1.152 3.077 -7.399 163 1HB GLU 22 2HB GLU 22 2.172 2.566 -10.161 164 2HB GLU 22 1HB GLU 22 0.655 3.448 -10.022 165 1HG GLU 22 2HG GLU 22 2.394 4.542 -8.073 166 2HG GLU 22 1HG GLU 22 3.334 4.395 -9.558 167 H GLU 23 H GLU 23 0.815 0.363 -9.705 168 HA GLU 23 HA GLU 23 -2.097 0.357 -9.555 169 1HB GLU 23 2HB GLU 23 -1.804 -1.708 -10.899 170 2HB GLU 23 1HB GLU 23 -0.794 -0.401 -11.515 171 1HG GLU 23 2HG GLU 23 1.175 -1.319 -10.550 172 2HG GLU 23 1HG GLU 23 0.251 -2.413 -9.520 173 H LEU 24 H LEU 24 0.543 -1.284 -7.884 174 HA LEU 24 HA LEU 24 -1.070 -3.338 -6.640 175 1HB LEU 24 2HB LEU 24 1.544 -2.948 -6.999 176 2HB LEU 24 1HB LEU 24 1.419 -2.230 -5.393 177 HG LEU 24 HG LEU 24 0.072 -4.415 -4.830 178 1HD1 LEU 24 2HD1 LEU 24 1.577 -5.108 -7.357 179 2HD1 LEU 24 1HD1 LEU 24 1.136 -6.337 -6.171 180 3HD1 LEU 24 3HD1 LEU 24 -0.121 -5.403 -6.983 181 1HD2 LEU 24 2HD2 LEU 24 2.969 -3.832 -4.956 182 2HD2 LEU 24 1HD2 LEU 24 1.987 -4.364 -3.591 183 3HD2 LEU 24 3HD2 LEU 24 2.566 -5.540 -4.771 184 H ILE 25 H ILE 25 0.041 -0.102 -5.600 185 HA ILE 25 HA ILE 25 -1.082 -0.228 -2.961 186 HB ILE 25 HB ILE 25 0.310 1.608 -4.684 187 1HG1 ILE 25 2HG1 ILE 25 1.112 2.483 -2.596 188 2HG1 ILE 25 1HG1 ILE 25 -0.300 1.873 -1.732 189 1HG2 ILE 25 2HG2 ILE 25 -1.894 2.768 -4.871 190 2HG2 ILE 25 1HG2 ILE 25 -1.941 2.898 -3.113 191 3HG2 ILE 25 3HG2 ILE 25 -0.684 3.735 -4.028 192 1HD1 ILE 25 1HD1 ILE 25 0.946 -0.304 -3.136 193 2HD1 ILE 25 3HD1 ILE 25 2.166 0.537 -2.180 194 3HD1 ILE 25 2HD1 ILE 25 0.721 -0.103 -1.398 195 H ASN 26 H ASN 26 -2.387 0.885 -6.093 196 HA ASN 26 HA ASN 26 -4.873 1.916 -5.122 197 1HB ASN 26 2HB ASN 26 -3.648 1.907 -7.469 198 2HB ASN 26 1HB ASN 26 -4.610 0.452 -7.731 199 1HD2 ASN 26 2HD2 ASN 26 -7.727 2.215 -7.830 200 2HD2 ASN 26 1HD2 ASN 26 -7.023 0.699 -7.538 201 H THR 27 H THR 27 -3.856 -1.326 -6.106 202 HA THR 27 HA THR 27 -6.406 -2.628 -5.881 203 HB THR 27 HB THR 27 -3.505 -3.471 -5.729 204 HG1 THR 27 HG1 THR 27 -4.867 -2.773 -7.690 205 1HG2 THR 27 1HG2 THR 27 -6.003 -5.100 -5.365 206 2HG2 THR 27 3HG2 THR 27 -4.591 -5.816 -6.142 207 3HG2 THR 27 2HG2 THR 27 -4.472 -5.201 -4.494 208 H LEU 28 H LEU 28 -3.860 -1.868 -3.528 209 HA LEU 28 HA LEU 28 -4.924 -3.516 -1.393 210 1HB LEU 28 2HB LEU 28 -3.013 -1.192 -1.647 211 2HB LEU 28 1HB LEU 28 -3.453 -1.817 -0.057 212 HG LEU 28 HG LEU 28 -2.660 -3.818 -2.114 213 1HD1 LEU 28 2HD1 LEU 28 -0.841 -1.721 -0.968 214 2HD1 LEU 28 1HD1 LEU 28 -0.221 -3.354 -1.210 215 3HD1 LEU 28 3HD1 LEU 28 -0.841 -2.435 -2.581 216 1HD2 LEU 28 1HD2 LEU 28 -2.486 -3.419 0.858 217 2HD2 LEU 28 3HD2 LEU 28 -3.141 -4.783 -0.045 218 3HD2 LEU 28 2HD2 LEU 28 -1.395 -4.564 0.078 219 H GLN 29 H GLN 29 -5.259 -0.085 -2.283 220 HA GLN 29 HA GLN 29 -6.994 0.611 -0.074 221 1HB GLN 29 2HB GLN 29 -5.502 1.988 -1.786 222 2HB GLN 29 1HB GLN 29 -6.982 1.988 -2.744 223 1HG GLN 29 2HG GLN 29 -7.106 2.736 0.162 224 2HG GLN 29 1HG GLN 29 -6.564 3.928 -1.018 225 1HE2 GLN 29 2HE2 GLN 29 -10.457 3.484 -0.594 226 2HE2 GLN 29 1HE2 GLN 29 -9.284 3.148 0.586 227 H GLN 30 H GLN 30 -7.384 -1.121 -2.996 228 HA GLN 30 HA GLN 30 -10.230 -0.574 -3.407 229 1HB GLN 30 2HB GLN 30 -8.129 -2.449 -4.492 230 2HB GLN 30 1HB GLN 30 -9.821 -2.646 -4.945 231 1HG GLN 30 2HG GLN 30 -9.005 0.133 -5.114 232 2HG GLN 30 1HG GLN 30 -7.988 -0.896 -6.120 233 1HE2 GLN 30 2HE2 GLN 30 -10.928 -0.045 -8.209 234 2HE2 GLN 30 1HE2 GLN 30 -9.601 0.785 -7.552 235 H LYS 31 H LYS 31 -8.319 -3.414 -2.379 236 HA LYS 31 HA LYS 31 -10.553 -4.996 -1.519 237 1HB LYS 31 2HB LYS 31 -7.586 -4.902 -0.952 238 2HB LYS 31 1HB LYS 31 -8.619 -6.091 -0.156 239 1HG LYS 31 2HG LYS 31 -9.414 -6.845 -2.399 240 2HG LYS 31 1HG LYS 31 -8.277 -5.722 -3.146 241 1HD LYS 31 2HD LYS 31 -6.428 -6.878 -1.871 242 2HD LYS 31 1HD LYS 31 -7.610 -8.092 -1.379 243 1HE LYS 31 2HE LYS 31 -7.112 -7.396 -4.290 244 2HE LYS 31 1HE LYS 31 -6.254 -8.704 -3.452 245 1HZ LYS 31 3HZ LYS 31 -8.793 -9.126 -2.688 246 2HZ LYS 31 2HZ LYS 31 -9.028 -8.550 -4.269 247 3HZ LYS 31 1HZ LYS 31 -8.051 -9.913 -3.995 248 H LEU 32 H LEU 32 -8.908 -2.281 -0.166 249 HA LEU 32 HA LEU 32 -9.650 -2.747 2.625 250 1HB LEU 32 2HB LEU 32 -7.715 -1.356 1.502 251 2HB LEU 32 1HB LEU 32 -8.941 -0.091 1.389 252 HG LEU 32 HG LEU 32 -9.317 -0.180 3.795 253 1HD1 LEU 32 1HD1 LEU 32 -7.522 -2.577 3.556 254 2HD1 LEU 32 3HD1 LEU 32 -7.543 -1.663 5.064 255 3HD1 LEU 32 2HD1 LEU 32 -9.027 -2.398 4.459 256 1HD2 LEU 32 1HD2 LEU 32 -6.596 0.237 2.672 257 2HD2 LEU 32 3HD2 LEU 32 -7.629 1.356 3.562 258 3HD2 LEU 32 2HD2 LEU 32 -6.701 0.132 4.429 259 H GLU 33 H GLU 33 -10.718 -0.490 0.055 260 HA GLU 33 HA GLU 33 -12.926 0.612 1.533 261 1HB GLU 33 2HB GLU 33 -11.893 1.685 -0.416 262 2HB GLU 33 1HB GLU 33 -12.351 0.323 -1.437 263 1HG GLU 33 2HG GLU 33 -14.570 0.941 -1.512 264 2HG GLU 33 1HG GLU 33 -14.524 1.690 0.084 265 H ALA 34 H ALA 34 -12.427 -2.427 0.050 266 HA ALA 34 HA ALA 34 -15.308 -2.995 -0.354 267 1HB ALA 34 2HB ALA 34 -12.756 -3.946 -1.307 268 2HB ALA 34 1HB ALA 34 -13.635 -5.297 -0.588 269 3HB ALA 34 3HB ALA 34 -14.364 -4.368 -1.898 270 H VAL 35 H VAL 35 -12.578 -3.743 1.729 271 HA VAL 35 HA VAL 35 -13.754 -5.760 3.365 272 HB VAL 35 HB VAL 35 -11.554 -3.743 3.486 273 1HG1 VAL 35 1HG1 VAL 35 -12.645 -3.636 5.740 274 2HG1 VAL 35 3HG1 VAL 35 -12.349 -5.365 5.911 275 3HG1 VAL 35 2HG1 VAL 35 -10.993 -4.246 5.780 276 1HG2 VAL 35 3HG2 VAL 35 -11.498 -6.151 2.540 277 2HG2 VAL 35 2HG2 VAL 35 -10.177 -5.653 3.599 278 3HG2 VAL 35 1HG2 VAL 35 -11.482 -6.661 4.227 279 H ALA 36 H ALA 36 -13.806 -2.202 3.507 280 HA ALA 36 HA ALA 36 -15.250 -1.994 5.994 281 1HB ALA 36 3HB ALA 36 -13.905 -0.222 4.767 282 2HB ALA 36 2HB ALA 36 -15.234 -0.112 3.612 283 3HB ALA 36 1HB ALA 36 -15.498 0.319 5.301 284 H LYS 37 H LYS 37 -16.145 -2.629 2.676 285 HA LYS 37 HA LYS 37 -18.977 -2.022 2.958 286 1HB LYS 37 2HB LYS 37 -17.081 -2.774 0.958 287 2HB LYS 37 1HB LYS 37 -18.394 -3.951 0.909 288 1HG LYS 37 2HG LYS 37 -19.575 -2.435 -0.267 289 2HG LYS 37 1HG LYS 37 -19.678 -1.486 1.218 290 1HD LYS 37 2HD LYS 37 -17.840 -0.139 0.635 291 2HD LYS 37 1HD LYS 37 -17.246 -1.303 -0.550 292 1HE LYS 37 2HE LYS 37 -18.503 -0.376 -2.197 293 2HE LYS 37 1HE LYS 37 -19.957 -0.397 -1.179 294 1HZ LYS 37 3HZ LYS 37 -17.790 1.483 -0.545 295 2HZ LYS 37 2HZ LYS 37 -18.853 1.864 -1.814 296 3HZ LYS 37 1HZ LYS 37 -19.453 1.622 -0.243 297 H ARG 38 H ARG 38 -16.950 -4.886 3.345 298 HA ARG 38 HA ARG 38 -19.148 -6.752 3.665 299 1HB ARG 38 2HB ARG 38 -16.299 -6.975 4.679 300 2HB ARG 38 1HB ARG 38 -17.371 -8.284 4.184 301 1HG ARG 38 2HG ARG 38 -17.092 -6.379 2.031 302 2HG ARG 38 1HG ARG 38 -15.501 -6.913 2.572 303 1HD ARG 38 2HD ARG 38 -15.878 -8.730 1.244 304 2HD ARG 38 1HD ARG 38 -16.964 -9.275 2.539 305 HE ARG 38 HE ARG 38 -17.823 -7.800 0.093 306 1HH1 ARG 38 2HH1 ARG 38 -19.805 -6.889 1.772 307 2HH1 ARG 38 1HH1 ARG 38 -20.913 -8.199 2.005 308 1HH2 ARG 38 1HH2 ARG 38 -18.681 -10.623 0.921 309 2HH2 ARG 38 2HH2 ARG 38 -20.277 -10.315 1.521 310 H ILE 39 H ILE 39 -17.070 -4.850 5.798 311 HA ILE 39 HA ILE 39 -17.876 -5.843 8.324 312 HB ILE 39 HB ILE 39 -17.022 -3.141 7.259 313 1HG1 ILE 39 2HG1 ILE 39 -15.468 -5.198 7.393 314 2HG1 ILE 39 1HG1 ILE 39 -14.889 -3.706 8.129 315 1HG2 ILE 39 2HG2 ILE 39 -17.609 -3.953 10.118 316 2HG2 ILE 39 1HG2 ILE 39 -16.635 -2.547 9.689 317 3HG2 ILE 39 3HG2 ILE 39 -18.330 -2.623 9.211 318 1HD1 ILE 39 1HD1 ILE 39 -16.284 -5.936 9.632 319 2HD1 ILE 39 3HD1 ILE 39 -14.541 -5.689 9.592 320 3HD1 ILE 39 2HD1 ILE 39 -15.583 -4.477 10.335 321 H GLU 40 H GLU 40 -19.259 -3.302 6.257 322 HA GLU 40 HA GLU 40 -21.434 -2.563 7.965 323 1HB GLU 40 2HB GLU 40 -21.303 -2.619 4.933 324 2HB GLU 40 1HB GLU 40 -22.314 -1.566 5.922 325 1HG GLU 40 2HG GLU 40 -19.569 -1.324 6.762 326 2HG GLU 40 1HG GLU 40 -19.677 -1.064 5.021 327 H ALA 41 H ALA 41 -20.980 -5.122 5.564 328 HA ALA 41 HA ALA 41 -23.658 -6.077 5.380 329 1HB ALA 41 2HB ALA 41 -21.162 -6.738 4.412 330 2HB ALA 41 1HB ALA 41 -21.503 -8.095 5.484 331 3HB ALA 41 3HB ALA 41 -22.611 -7.712 4.166 332 H LEU 42 H LEU 42 -21.112 -6.631 7.765 333 HA LEU 42 HA LEU 42 -22.675 -8.558 9.318 334 1HB LEU 42 2HB LEU 42 -20.131 -6.968 9.784 335 2HB LEU 42 1HB LEU 42 -20.751 -8.144 10.934 336 HG LEU 42 HG LEU 42 -19.439 -9.613 9.803 337 1HD1 LEU 42 2HD1 LEU 42 -21.697 -10.336 9.098 338 2HD1 LEU 42 1HD1 LEU 42 -21.579 -9.298 7.677 339 3HD1 LEU 42 3HD1 LEU 42 -20.497 -10.679 7.852 340 1HD2 LEU 42 3HD2 LEU 42 -19.084 -7.311 8.173 341 2HD2 LEU 42 2HD2 LEU 42 -18.042 -8.729 8.294 342 3HD2 LEU 42 1HD2 LEU 42 -19.338 -8.687 7.098 343 H GLU 43 H GLU 43 -22.207 -5.091 9.199 344 HA GLU 43 HA GLU 43 -23.228 -4.481 11.842 345 1HB GLU 43 2HB GLU 43 -23.065 -2.887 9.261 346 2HB GLU 43 1HB GLU 43 -23.331 -2.200 10.864 347 1HG GLU 43 2HG GLU 43 -21.106 -3.829 11.206 348 2HG GLU 43 1HG GLU 43 -20.845 -3.088 9.629 349 H ASN 44 H ASN 44 -24.640 -5.423 8.857 350 HA ASN 44 HA ASN 44 -27.255 -4.210 9.212 351 1HB ASN 44 2HB ASN 44 -26.103 -6.489 7.584 352 2HB ASN 44 1HB ASN 44 -27.802 -6.030 7.474 353 1HD2 ASN 44 2HD2 ASN 44 -26.939 -2.726 6.112 354 2HD2 ASN 44 1HD2 ASN 44 -27.937 -3.374 7.322 355 H LYS 45 H LYS 45 -25.615 -6.991 10.481 356 HA LYS 45 HA LYS 45 -28.185 -8.008 11.660 357 1HB LYS 45 2HB LYS 45 -25.576 -9.386 10.933 358 2HB LYS 45 1HB LYS 45 -26.929 -10.184 11.735 359 1HG LYS 45 2HG LYS 45 -27.175 -10.661 9.405 360 2HG LYS 45 1HG LYS 45 -28.372 -9.419 9.774 361 1HD LYS 45 2HD LYS 45 -27.330 -7.858 8.490 362 2HD LYS 45 1HD LYS 45 -25.724 -8.370 9.004 363 1HE LYS 45 2HE LYS 45 -25.456 -9.635 7.137 364 2HE LYS 45 1HE LYS 45 -27.031 -10.417 7.376 365 1HZ LYS 45 3HZ LYS 45 -27.865 -8.023 6.717 366 2HZ LYS 45 2HZ LYS 45 -26.376 -7.973 5.902 367 3HZ LYS 45 1HZ LYS 45 -27.508 -9.185 5.535 368 H ILE 46 H ILE 46 -25.179 -6.530 12.315 369 HA ILE 46 HA ILE 46 -25.095 -7.523 15.126 370 HB ILE 46 HB ILE 46 -23.218 -5.937 13.343 371 1HG1 ILE 46 2HG1 ILE 46 -22.908 -8.193 12.792 372 2HG1 ILE 46 1HG1 ILE 46 -21.725 -7.975 14.074 373 1HG2 ILE 46 1HG2 ILE 46 -22.996 -6.614 16.283 374 2HG2 ILE 46 3HG2 ILE 46 -21.616 -6.133 15.294 375 3HG2 ILE 46 2HG2 ILE 46 -22.956 -5.014 15.542 376 1HD1 ILE 46 2HD1 ILE 46 -23.644 -8.719 15.667 377 2HD1 ILE 46 1HD1 ILE 46 -24.400 -9.348 14.203 378 3HD1 ILE 46 3HD1 ILE 46 -22.822 -9.951 14.708 379 H ILE 47 HN ILE 47 -25.925 -4.764 13.176 380 HA ILE 47 HA ILE 47 -26.563 -3.262 15.686 381 HB ILE 47 HB ILE 47 -24.404 -2.715 14.202 382 1HG1 ILE 47 2HG1 ILE 47 -25.579 -0.167 14.841 383 2HG1 ILE 47 1HG1 ILE 47 -26.032 -1.340 16.078 384 1HG2 ILE 47 2HG2 ILE 47 -26.328 -2.224 12.310 385 2HG2 ILE 47 1HG2 ILE 47 -26.095 -0.617 12.996 386 3HG2 ILE 47 3HG2 ILE 47 -24.725 -1.492 12.312 387 1HD1 ILE 47 1HD1 ILE 47 -23.382 -1.940 15.694 388 2HD1 ILE 47 3HD1 ILE 47 -23.388 -0.194 15.458 389 3HD1 ILE 47 2HD1 ILE 47 -23.992 -0.882 16.966 390 1H GLY 1 3H GLY 1 27.021 28.334 -9.217 391 2H GLY 1 2H GLY 1 28.602 28.479 -9.820 392 3H GLY 1 1H GLY 1 27.850 26.957 -9.757 393 1HA GLY 1 2HA GLY 1 29.425 27.119 -7.968 394 2HA GLY 1 1HA GLY 1 28.664 28.619 -7.435 395 H SER 2 H SER 2 26.884 28.484 -6.105 396 HA SER 2 HA SER 2 25.990 25.738 -5.347 397 1HB SER 2 2HB SER 2 26.778 28.020 -3.938 398 2HB SER 2 1HB SER 2 25.025 27.994 -3.762 399 HG SER 2 HG SER 2 26.233 26.746 -2.177 400 H HIS 3 H HIS 3 23.517 26.180 -4.334 401 HA HIS 3 HA HIS 3 21.248 26.422 -4.959 402 1HB HIS 3 2HB HIS 3 22.764 28.797 -5.840 403 2HB HIS 3 1HB HIS 3 21.235 28.568 -6.688 404 HD1 HIS 3 HD1 HIS 3 20.565 30.807 -5.276 405 HD2 HIS 3 HD2 HIS 3 21.005 27.291 -3.078 406 HE1 HIS 3 HE1 HIS 3 19.421 31.205 -3.050 407 H MET 4 H MET 4 19.902 26.830 -7.196 408 HA MET 4 HA MET 4 19.356 25.895 -9.298 409 1HB MET 4 2HB MET 4 22.139 26.832 -9.318 410 2HB MET 4 1HB MET 4 21.816 25.601 -10.539 411 1HG MET 4 2HG MET 4 19.900 26.906 -11.366 412 2HG MET 4 1HG MET 4 20.191 28.132 -10.132 413 1HE MET 4 3HE MET 4 20.512 30.091 -11.266 414 2HE MET 4 2HE MET 4 21.524 30.427 -12.668 415 3HE MET 4 1HE MET 4 20.072 29.445 -12.852 416 H GLU 5 H GLU 5 19.878 23.911 -10.738 417 HA GLU 5 HA GLU 5 21.498 21.753 -9.721 418 1HB GLU 5 2HB GLU 5 19.726 20.397 -8.735 419 2HB GLU 5 1HB GLU 5 19.729 21.976 -7.950 420 1HG GLU 5 2HG GLU 5 17.999 22.626 -9.794 421 2HG GLU 5 1HG GLU 5 17.792 20.884 -9.976 422 H GLU 6 H GLU 6 19.965 19.569 -10.579 423 HA GLU 6 HA GLU 6 19.065 20.214 -13.345 424 1HB GLU 6 2HB GLU 6 21.547 18.872 -12.477 425 2HB GLU 6 1HB GLU 6 20.650 18.003 -13.723 426 1HG GLU 6 2HG GLU 6 20.692 20.825 -14.333 427 2HG GLU 6 1HG GLU 6 22.337 20.239 -14.086 428 H ASP 7 H ASP 7 18.661 17.710 -14.315 429 HA ASP 7 HA ASP 7 17.652 15.774 -12.483 430 1HB ASP 7 2HB ASP 7 16.105 17.672 -12.020 431 2HB ASP 7 1HB ASP 7 15.618 17.656 -13.715 432 HA PRO 8 HA PRO 8 17.910 14.663 -16.982 433 1HB PRO 8 2HB PRO 8 19.726 12.638 -16.667 434 2HB PRO 8 1HB PRO 8 20.203 14.329 -16.918 435 1HG PRO 8 2HG PRO 8 20.107 12.743 -14.405 436 2HG PRO 8 1HG PRO 8 21.279 13.963 -14.926 437 1HD PRO 8 2HD PRO 8 19.274 14.447 -13.128 438 2HD PRO 8 1HD PRO 8 20.007 15.699 -14.155 439 H CYS 9 H CYS 9 18.067 12.463 -14.164 440 HA CYS 9 HA CYS 9 15.999 10.734 -15.476 441 1HB CYS 9 2HB CYS 9 18.336 10.281 -13.629 442 2HB CYS 9 1HB CYS 9 17.018 9.109 -13.682 443 H GLU 10 H GLU 10 14.819 12.862 -14.303 444 HA GLU 10 HA GLU 10 13.481 13.611 -12.490 445 1HB GLU 10 2HB GLU 10 13.143 10.628 -12.773 446 2HB GLU 10 1HB GLU 10 12.180 11.537 -11.607 447 1HG GLU 10 2HG GLU 10 11.021 12.684 -13.248 448 2HG GLU 10 1HG GLU 10 12.350 12.578 -14.405 449 H CYS 11 H CYS 11 16.179 13.412 -11.683 450 HA CYS 11 HA CYS 11 16.926 11.830 -9.554 451 1HB CYS 11 2HB CYS 11 17.324 14.676 -10.350 452 2HB CYS 11 1HB CYS 11 17.882 14.205 -8.742 453 H LYS 12 H LYS 12 14.555 14.452 -9.497 454 HA LYS 12 HA LYS 12 13.996 13.777 -6.626 455 1HB LYS 12 2HB LYS 12 13.872 16.384 -8.167 456 2HB LYS 12 1HB LYS 12 13.228 16.193 -6.537 457 1HG LYS 12 2HG LYS 12 15.301 16.678 -5.789 458 2HG LYS 12 1HG LYS 12 15.782 15.087 -6.382 459 1HD LYS 12 2HD LYS 12 16.312 16.067 -8.584 460 2HD LYS 12 1HD LYS 12 15.846 17.660 -7.985 461 1HE LYS 12 2HE LYS 12 17.612 16.969 -6.055 462 2HE LYS 12 1HE LYS 12 18.305 16.085 -7.429 463 1HZ LYS 12 1HZ LYS 12 17.431 18.918 -7.568 464 2HZ LYS 12 3HZ LYS 12 19.033 18.451 -7.269 465 3HZ LYS 12 2HZ LYS 12 18.295 18.048 -8.745 466 H SER 13 H SER 13 12.797 13.632 -9.765 467 HA SER 13 HA SER 13 9.972 14.164 -9.153 468 1HB SER 13 2HB SER 13 11.689 13.385 -11.460 469 2HB SER 13 1HB SER 13 9.989 12.947 -11.564 470 HG SER 13 HG SER 13 9.443 15.030 -11.552 471 H ILE 14 H ILE 14 12.118 11.406 -9.399 472 HA ILE 14 HA ILE 14 10.025 9.365 -9.268 473 HB ILE 14 HB ILE 14 13.045 9.453 -9.008 474 1HG1 ILE 14 2HG1 ILE 14 11.524 8.044 -11.167 475 2HG1 ILE 14 1HG1 ILE 14 11.632 9.804 -11.224 476 1HG2 ILE 14 1HG2 ILE 14 11.242 7.014 -9.083 477 2HG2 ILE 14 3HG2 ILE 14 13.003 6.989 -9.149 478 3HG2 ILE 14 2HG2 ILE 14 12.183 7.554 -7.693 479 1HD1 ILE 14 2HD1 ILE 14 14.098 9.650 -11.047 480 2HD1 ILE 14 1HD1 ILE 14 13.978 7.891 -11.041 481 3HD1 ILE 14 3HD1 ILE 14 13.497 8.803 -12.473 482 H VAL 15 H VAL 15 12.411 10.809 -7.094 483 HA VAL 15 HA VAL 15 11.583 9.235 -4.778 484 HB VAL 15 HB VAL 15 13.130 11.813 -4.641 485 1HG1 VAL 15 1HG1 VAL 15 13.182 9.105 -3.310 486 2HG1 VAL 15 3HG1 VAL 15 14.537 10.223 -3.162 487 3HG1 VAL 15 2HG1 VAL 15 12.942 10.684 -2.567 488 1HG2 VAL 15 3HG2 VAL 15 13.963 9.265 -6.038 489 2HG2 VAL 15 2HG2 VAL 15 14.170 10.930 -6.581 490 3HG2 VAL 15 1HG2 VAL 15 15.159 10.306 -5.267 491 H LYS 16 H LYS 16 10.588 12.153 -6.339 492 HA LYS 16 HA LYS 16 9.294 13.409 -4.049 493 1HB LYS 16 2HB LYS 16 9.780 14.849 -5.853 494 2HB LYS 16 1HB LYS 16 9.281 13.662 -7.056 495 1HG LYS 16 2HG LYS 16 7.680 15.609 -6.740 496 2HG LYS 16 1HG LYS 16 6.957 14.010 -6.558 497 1HD LYS 16 2HD LYS 16 6.363 14.466 -4.435 498 2HD LYS 16 1HD LYS 16 8.025 14.894 -4.026 499 1HE LYS 16 2HE LYS 16 6.943 16.935 -3.651 500 2HE LYS 16 1HE LYS 16 7.412 17.129 -5.352 501 1HZ LYS 16 2HZ LYS 16 5.205 15.861 -5.772 502 2HZ LYS 16 1HZ LYS 16 4.788 16.416 -4.222 503 3HZ LYS 16 3HZ LYS 16 5.159 17.528 -5.449 504 H PHE 17 H PHE 17 8.330 11.319 -6.762 505 HA PHE 17 HA PHE 17 5.551 11.068 -6.024 506 1HB PHE 17 2HB PHE 17 6.003 10.373 -8.196 507 2HB PHE 17 1HB PHE 17 7.570 9.694 -7.760 508 HD1 PHE 17 HD1 PHE 17 3.905 9.105 -7.716 509 HD2 PHE 17 HD2 PHE 17 7.796 7.420 -7.030 510 HE1 PHE 17 HE1 PHE 17 2.903 6.840 -7.567 511 HE2 PHE 17 HE2 PHE 17 6.796 5.159 -6.882 512 HZ PHE 17 HZ PHE 17 4.347 4.864 -7.151 513 H GLN 18 H GLN 18 8.538 9.507 -5.020 514 HA GLN 18 HA GLN 18 7.473 7.222 -3.687 515 1HB GLN 18 2HB GLN 18 9.927 8.941 -3.479 516 2HB GLN 18 1HB GLN 18 9.671 7.650 -2.305 517 1HG GLN 18 2HG GLN 18 9.316 6.079 -4.257 518 2HG GLN 18 1HG GLN 18 9.852 7.384 -5.315 519 1HE2 GLN 18 2HE2 GLN 18 12.801 5.263 -4.355 520 2HE2 GLN 18 1HE2 GLN 18 11.307 4.919 -5.073 521 H THR 19 H THR 19 8.159 10.507 -2.464 522 HA THR 19 HA THR 19 7.381 10.090 0.243 523 HB THR 19 HB THR 19 7.315 12.452 -1.653 524 HG1 THR 19 HG1 THR 19 9.123 11.266 -0.026 525 1HG2 THR 19 3HG2 THR 19 6.341 12.218 1.167 526 2HG2 THR 19 2HG2 THR 19 7.164 13.700 0.679 527 3HG2 THR 19 1HG2 THR 19 5.702 13.185 -0.162 528 H LYS 20 H LYS 20 5.469 10.810 -2.666 529 HA LYS 20 HA LYS 20 2.943 11.197 -1.333 530 1HB LYS 20 2HB LYS 20 3.879 10.416 -4.099 531 2HB LYS 20 1HB LYS 20 2.157 10.462 -3.717 532 1HG LYS 20 2HG LYS 20 3.466 12.838 -2.714 533 2HG LYS 20 1HG LYS 20 3.789 12.644 -4.437 534 1HD LYS 20 2HD LYS 20 1.170 12.066 -4.458 535 2HD LYS 20 1HD LYS 20 1.200 13.108 -3.033 536 1HE LYS 20 2HE LYS 20 0.881 14.677 -4.753 537 2HE LYS 20 1HE LYS 20 2.649 14.680 -4.608 538 1HZ LYS 20 1HZ LYS 20 1.235 12.763 -6.360 539 2HZ LYS 20 3HZ LYS 20 1.692 14.298 -6.918 540 3HZ LYS 20 2HZ LYS 20 2.876 13.204 -6.385 541 H VAL 21 H VAL 21 4.785 8.416 -2.404 542 HA VAL 21 HA VAL 21 2.655 6.456 -1.958 543 HB VAL 21 HB VAL 21 5.517 6.585 -2.784 544 1HG1 VAL 21 3HG1 VAL 21 4.294 4.061 -1.626 545 2HG1 VAL 21 2HG1 VAL 21 5.806 4.129 -2.531 546 3HG1 VAL 21 1HG1 VAL 21 5.675 4.943 -0.972 547 1HG2 VAL 21 2HG2 VAL 21 2.933 5.457 -3.743 548 2HG2 VAL 21 1HG2 VAL 21 4.179 6.329 -4.636 549 3HG2 VAL 21 3HG2 VAL 21 4.402 4.624 -4.245 550 H GLU 22 H GLU 22 5.034 8.116 -0.077 551 HA GLU 22 HA GLU 22 5.310 6.173 2.064 552 1HB GLU 22 2HB GLU 22 6.025 9.013 1.465 553 2HB GLU 22 1HB GLU 22 6.043 8.524 3.155 554 1HG GLU 22 2HG GLU 22 7.305 6.438 1.731 555 2HG GLU 22 1HG GLU 22 7.964 7.941 1.085 556 H GLU 23 H GLU 23 3.432 9.185 1.656 557 HA GLU 23 HA GLU 23 2.050 8.894 4.206 558 1HB GLU 23 2HB GLU 23 0.740 10.814 3.285 559 2HB GLU 23 1HB GLU 23 2.481 11.065 3.144 560 1HG GLU 23 2HG GLU 23 2.483 10.615 0.831 561 2HG GLU 23 1HG GLU 23 0.913 9.814 0.895 562 H LEU 24 H LEU 24 1.451 7.934 0.872 563 HA LEU 24 HA LEU 24 -1.360 7.321 1.193 564 1HB LEU 24 2HB LEU 24 0.268 7.661 -0.892 565 2HB LEU 24 1HB LEU 24 0.420 5.909 -0.761 566 HG LEU 24 HG LEU 24 -2.190 5.946 -0.626 567 1HD1 LEU 24 2HD1 LEU 24 -1.475 8.724 -1.434 568 2HD1 LEU 24 1HD1 LEU 24 -2.826 7.966 -2.278 569 3HD1 LEU 24 3HD1 LEU 24 -2.868 8.142 -0.524 570 1HD2 LEU 24 2HD2 LEU 24 -0.326 6.086 -2.904 571 2HD2 LEU 24 1HD2 LEU 24 -1.606 4.919 -2.571 572 3HD2 LEU 24 3HD2 LEU 24 -1.997 6.465 -3.321 573 H ILE 25 H ILE 25 1.631 5.362 1.339 574 HA ILE 25 HA ILE 25 0.343 2.851 1.821 575 HB ILE 25 HB ILE 25 2.977 3.987 1.665 576 1HG1 ILE 25 2HG1 ILE 25 3.562 1.769 0.952 577 2HG1 ILE 25 1HG1 ILE 25 2.186 1.069 1.806 578 1HG2 ILE 25 1HG2 ILE 25 2.564 2.120 4.018 579 2HG2 ILE 25 3HG2 ILE 25 4.135 2.522 3.323 580 3HG2 ILE 25 2HG2 ILE 25 3.159 3.779 4.086 581 1HD1 ILE 25 1HD1 ILE 25 1.250 3.127 0.027 582 2HD1 ILE 25 3HD1 ILE 25 2.260 1.994 -0.872 583 3HD1 ILE 25 2HD1 ILE 25 0.859 1.408 0.025 584 H ASN 26 H ASN 26 1.486 5.421 4.020 585 HA ASN 26 HA ASN 26 0.960 4.057 6.481 586 1HB ASN 26 2HB ASN 26 2.142 6.330 5.835 587 2HB ASN 26 1HB ASN 26 0.534 7.007 6.092 588 1HD2 ASN 26 2HD2 ASN 26 0.559 6.393 9.624 589 2HD2 ASN 26 1HD2 ASN 26 -0.463 6.609 8.286 590 H THR 27 H THR 27 -1.058 6.099 4.402 591 HA THR 27 HA THR 27 -3.400 6.169 6.052 592 HB THR 27 HB THR 27 -2.826 6.397 3.090 593 HG1 THR 27 HG1 THR 27 -2.344 7.996 4.932 594 1HG2 THR 27 1HG2 THR 27 -5.461 6.583 4.554 595 2HG2 THR 27 3HG2 THR 27 -5.189 7.414 3.023 596 3HG2 THR 27 2HG2 THR 27 -5.079 5.657 3.104 597 H LEU 28 H LEU 28 -2.182 3.803 3.719 598 HA LEU 28 HA LEU 28 -4.618 2.243 3.554 599 1HB LEU 28 2HB LEU 28 -1.695 1.867 2.902 600 2HB LEU 28 1HB LEU 28 -2.822 0.520 2.738 601 HG LEU 28 HG LEU 28 -3.613 3.141 1.545 602 1HD1 LEU 28 2HD1 LEU 28 -1.378 1.376 0.578 603 2HD1 LEU 28 1HD1 LEU 28 -2.397 2.218 -0.589 604 3HD1 LEU 28 3HD1 LEU 28 -1.472 3.138 0.600 605 1HD2 LEU 28 1HD2 LEU 28 -3.891 0.228 0.741 606 2HD2 LEU 28 3HD2 LEU 28 -5.142 1.235 1.471 607 3HD2 LEU 28 2HD2 LEU 28 -4.566 1.587 -0.157 608 H GLN 29 H GLN 29 -1.624 1.964 5.469 609 HA GLN 29 HA GLN 29 -2.426 -0.414 6.904 610 1HB GLN 29 2HB GLN 29 -0.121 0.832 6.493 611 2HB GLN 29 1HB GLN 29 -0.559 1.682 7.975 612 1HG GLN 29 2HG GLN 29 -0.745 -1.317 7.877 613 2HG GLN 29 1HG GLN 29 0.820 -0.546 8.144 614 1HE2 GLN 29 2HE2 GLN 29 -1.500 -0.980 11.297 615 2HE2 GLN 29 1HE2 GLN 29 -1.525 -1.948 9.902 616 H GLN 30 H GLN 30 -3.323 2.881 7.037 617 HA GLN 30 HA GLN 30 -4.056 2.984 9.869 618 1HB GLN 30 2HB GLN 30 -4.409 4.681 7.398 619 2HB GLN 30 1HB GLN 30 -5.243 5.102 8.892 620 1HG GLN 30 2HG GLN 30 -2.454 4.451 9.383 621 2HG GLN 30 1HG GLN 30 -2.615 5.765 8.221 622 1HE2 GLN 30 2HE2 GLN 30 -2.694 7.274 11.641 623 2HE2 GLN 30 1HE2 GLN 30 -1.561 6.381 10.746 624 H LYS 31 H LYS 31 -5.853 2.958 6.781 625 HA LYS 31 HA LYS 31 -8.447 2.539 7.947 626 1HB LYS 31 2HB LYS 31 -7.162 2.110 5.245 627 2HB LYS 31 1HB LYS 31 -8.847 1.672 5.519 628 1HG LYS 31 2HG LYS 31 -9.287 3.997 6.314 629 2HG LYS 31 1HG LYS 31 -7.622 4.418 5.907 630 1HD LYS 31 2HD LYS 31 -8.098 3.629 3.549 631 2HD LYS 31 1HD LYS 31 -9.795 3.502 4.008 632 1HE LYS 31 2HE LYS 31 -8.182 6.057 4.318 633 2HE LYS 31 1HE LYS 31 -9.208 5.706 2.914 634 1HZ LYS 31 3HZ LYS 31 -10.728 5.038 5.106 635 2HZ LYS 31 2HZ LYS 31 -9.979 6.499 5.542 636 3HZ LYS 31 1HZ LYS 31 -10.917 6.413 4.130 637 H LEU 32 H LEU 32 -5.735 0.485 7.373 638 HA LEU 32 HA LEU 32 -7.184 -2.052 7.330 639 1HB LEU 32 2HB LEU 32 -4.840 -1.336 6.395 640 2HB LEU 32 1HB LEU 32 -4.280 -1.646 8.039 641 HG LEU 32 HG LEU 32 -5.151 -3.935 7.929 642 1HD1 LEU 32 1HD1 LEU 32 -6.203 -2.939 5.293 643 2HD1 LEU 32 3HD1 LEU 32 -5.856 -4.655 5.508 644 3HD1 LEU 32 2HD1 LEU 32 -7.039 -3.856 6.545 645 1HD2 LEU 32 1HD2 LEU 32 -3.202 -2.877 5.950 646 2HD2 LEU 32 3HD2 LEU 32 -2.983 -4.103 7.198 647 3HD2 LEU 32 2HD2 LEU 32 -3.764 -4.525 5.675 648 H GLU 33 H GLU 33 -5.096 -0.372 9.713 649 HA GLU 33 HA GLU 33 -5.567 -2.229 11.860 650 1HB GLU 33 2HB GLU 33 -3.682 -0.650 11.750 651 2HB GLU 33 1HB GLU 33 -4.801 0.712 11.808 652 1HG GLU 33 2HG GLU 33 -5.263 0.419 14.050 653 2HG GLU 33 1HG GLU 33 -4.981 -1.322 13.989 654 H ALA 34 H ALA 34 -7.522 0.163 10.396 655 HA ALA 34 HA ALA 34 -9.243 0.588 12.772 656 1HB ALA 34 2HB ALA 34 -8.570 1.954 10.349 657 2HB ALA 34 1HB ALA 34 -10.298 1.608 10.296 658 3HB ALA 34 3HB ALA 34 -9.622 2.521 11.645 659 H VAL 35 H VAL 35 -9.120 -1.057 9.676 660 HA VAL 35 HA VAL 35 -11.820 -1.997 9.539 661 HB VAL 35 HB VAL 35 -9.126 -2.637 8.419 662 1HG1 VAL 35 1HG1 VAL 35 -10.084 -4.862 8.988 663 2HG1 VAL 35 3HG1 VAL 35 -11.505 -4.463 8.021 664 3HG1 VAL 35 2HG1 VAL 35 -9.926 -4.612 7.250 665 1HG2 VAL 35 3HG2 VAL 35 -11.080 -1.019 7.599 666 2HG2 VAL 35 2HG2 VAL 35 -10.060 -1.882 6.448 667 3HG2 VAL 35 1HG2 VAL 35 -11.661 -2.504 6.847 668 H ALA 36 H ALA 36 -8.869 -3.229 11.096 669 HA ALA 36 HA ALA 36 -9.987 -5.739 11.984 670 1HB ALA 36 3HB ALA 36 -7.559 -5.170 11.788 671 2HB ALA 36 2HB ALA 36 -7.742 -4.029 13.120 672 3HB ALA 36 1HB ALA 36 -7.971 -5.756 13.401 673 H LYS 37 H LYS 37 -10.092 -2.435 13.127 674 HA LYS 37 HA LYS 37 -10.964 -3.037 15.838 675 1HB LYS 37 2HB LYS 37 -10.248 -0.796 14.220 676 2HB LYS 37 1HB LYS 37 -11.856 -0.481 14.873 677 1HG LYS 37 2HG LYS 37 -10.824 0.150 16.779 678 2HG LYS 37 1HG LYS 37 -10.464 -1.557 17.033 679 1HD LYS 37 2HD LYS 37 -8.305 -1.365 16.083 680 2HD LYS 37 1HD LYS 37 -8.686 0.181 15.323 681 1HE LYS 37 2HE LYS 37 -8.158 1.352 17.204 682 2HE LYS 37 1HE LYS 37 -9.008 0.202 18.257 683 1HZ LYS 37 3HZ LYS 37 -6.562 -0.668 16.884 684 2HZ LYS 37 2HZ LYS 37 -6.408 0.312 18.263 685 3HZ LYS 37 1HZ LYS 37 -7.204 -1.186 18.367 686 H ARG 38 H ARG 38 -12.557 -2.423 12.741 687 HA ARG 38 HA ARG 38 -15.249 -2.297 13.813 688 1HB ARG 38 2HB ARG 38 -14.353 -3.055 11.020 689 2HB ARG 38 1HB ARG 38 -15.851 -2.254 11.489 690 1HG ARG 38 2HG ARG 38 -13.579 -0.748 12.454 691 2HG ARG 38 1HG ARG 38 -13.440 -1.016 10.717 692 1HD ARG 38 2HD ARG 38 -14.872 0.742 10.504 693 2HD ARG 38 1HD ARG 38 -16.133 -0.378 11.060 694 HE ARG 38 HE ARG 38 -14.632 1.514 12.807 695 1HH1 ARG 38 2HH1 ARG 38 -15.092 -0.420 14.712 696 2HH1 ARG 38 1HH1 ARG 38 -16.766 -0.315 15.144 697 1HH2 ARG 38 1HH2 ARG 38 -17.662 1.465 12.306 698 2HH2 ARG 38 2HH2 ARG 38 -18.221 0.750 13.783 699 H ILE 39 H ILE 39 -13.178 -4.808 12.420 700 HA ILE 39 HA ILE 39 -15.053 -6.936 12.253 701 HB ILE 39 HB ILE 39 -12.085 -6.754 12.841 702 1HG1 ILE 39 2HG1 ILE 39 -13.068 -6.119 10.575 703 2HG1 ILE 39 1HG1 ILE 39 -11.836 -7.377 10.537 704 1HG2 ILE 39 2HG2 ILE 39 -13.823 -9.207 12.474 705 2HG2 ILE 39 1HG2 ILE 39 -12.070 -9.228 12.285 706 3HG2 ILE 39 3HG2 ILE 39 -12.783 -8.827 13.846 707 1HD1 ILE 39 1HD1 ILE 39 -14.805 -7.950 10.644 708 2HD1 ILE 39 3HD1 ILE 39 -13.875 -7.889 9.146 709 3HD1 ILE 39 2HD1 ILE 39 -13.504 -9.108 10.365 710 H GLU 40 H GLU 40 -12.997 -5.807 14.918 711 HA GLU 40 HA GLU 40 -13.788 -7.742 16.868 712 1HB GLU 40 2HB GLU 40 -12.983 -4.827 17.186 713 2HB GLU 40 1HB GLU 40 -12.851 -6.078 18.422 714 1HG GLU 40 2HG GLU 40 -11.573 -6.855 15.907 715 2HG GLU 40 1HG GLU 40 -10.871 -5.390 16.596 716 H ALA 41 H ALA 41 -15.162 -4.670 15.778 717 HA ALA 41 HA ALA 41 -17.153 -4.314 17.785 718 1HB ALA 41 2HB ALA 41 -16.328 -3.132 15.398 719 2HB ALA 41 1HB ALA 41 -17.973 -3.662 15.044 720 3HB ALA 41 3HB ALA 41 -17.668 -2.578 16.403 721 H LEU 42 H LEU 42 -17.057 -6.326 14.878 722 HA LEU 42 HA LEU 42 -19.823 -7.254 15.174 723 1HB LEU 42 2HB LEU 42 -17.436 -8.106 13.499 724 2HB LEU 42 1HB LEU 42 -19.033 -8.819 13.341 725 HG LEU 42 HG LEU 42 -19.367 -7.214 11.772 726 1HD1 LEU 42 2HD1 LEU 42 -20.780 -6.379 13.631 727 2HD1 LEU 42 1HD1 LEU 42 -19.442 -5.367 14.179 728 3HD1 LEU 42 3HD1 LEU 42 -20.196 -5.063 12.614 729 1HD2 LEU 42 3HD2 LEU 42 -16.795 -6.430 12.720 730 2HD2 LEU 42 2HD2 LEU 42 -17.539 -6.073 11.161 731 3HD2 LEU 42 1HD2 LEU 42 -17.769 -4.973 12.522 732 H GLU 43 H GLU 43 -16.630 -8.175 16.264 733 HA GLU 43 HA GLU 43 -17.252 -10.928 16.949 734 1HB GLU 43 2HB GLU 43 -15.154 -8.961 17.930 735 2HB GLU 43 1HB GLU 43 -15.104 -10.706 18.186 736 1HG GLU 43 2HG GLU 43 -15.563 -10.426 15.449 737 2HG GLU 43 1HG GLU 43 -14.380 -9.173 15.823 738 H ASN 44 H ASN 44 -17.926 -7.863 18.332 739 HA ASN 44 HA ASN 44 -18.190 -8.679 21.108 740 1HB ASN 44 2HB ASN 44 -19.183 -6.369 19.415 741 2HB ASN 44 1HB ASN 44 -19.501 -6.476 21.147 742 1HD2 ASN 44 2HD2 ASN 44 -15.894 -6.255 21.900 743 2HD2 ASN 44 1HD2 ASN 44 -17.191 -7.276 22.300 744 H LYS 45 H LYS 45 -20.108 -8.977 18.246 745 HA LYS 45 HA LYS 45 -22.471 -9.835 19.891 746 1HB LYS 45 2HB LYS 45 -22.235 -8.605 17.125 747 2HB LYS 45 1HB LYS 45 -23.750 -9.180 17.821 748 1HG LYS 45 2HG LYS 45 -23.678 -6.836 18.275 749 2HG LYS 45 1HG LYS 45 -23.277 -7.635 19.798 750 1HD LYS 45 2HD LYS 45 -21.142 -6.856 19.788 751 2HD LYS 45 1HD LYS 45 -20.960 -7.098 18.050 752 1HE LYS 45 2HE LYS 45 -21.464 -4.924 17.617 753 2HE LYS 45 1HE LYS 45 -22.881 -4.971 18.684 754 1HZ LYS 45 3HZ LYS 45 -20.975 -5.158 20.489 755 2HZ LYS 45 2HZ LYS 45 -20.104 -4.299 19.309 756 3HZ LYS 45 1HZ LYS 45 -21.544 -3.656 19.943 757 H ILE 46 H ILE 46 -20.028 -10.820 17.709 758 HA ILE 46 HA ILE 46 -21.594 -13.168 16.750 759 HB ILE 46 HB ILE 46 -18.904 -11.947 16.050 760 1HG1 ILE 46 2HG1 ILE 46 -20.552 -10.686 14.942 761 2HG1 ILE 46 1HG1 ILE 46 -20.144 -11.908 13.744 762 1HG2 ILE 46 1HG2 ILE 46 -20.200 -14.508 15.095 763 2HG2 ILE 46 3HG2 ILE 46 -18.913 -13.694 14.205 764 3HG2 ILE 46 2HG2 ILE 46 -18.608 -14.312 15.828 765 1HD1 ILE 46 2HD1 ILE 46 -22.072 -13.289 14.748 766 2HD1 ILE 46 1HD1 ILE 46 -22.566 -11.795 15.543 767 3HD1 ILE 46 3HD1 ILE 46 -22.512 -11.882 13.784 768 H ILE 47 HN ILE 47 -19.140 -12.218 19.022 769 HA ILE 47 HA ILE 47 -18.840 -15.092 19.806 770 HB ILE 47 HB ILE 47 -16.994 -13.822 18.353 771 1HG1 ILE 47 2HG1 ILE 47 -15.555 -15.272 20.388 772 2HG1 ILE 47 1HG1 ILE 47 -17.089 -16.078 20.053 773 1HG2 ILE 47 2HG2 ILE 47 -16.915 -12.217 20.568 774 2HG2 ILE 47 1HG2 ILE 47 -15.648 -13.380 20.945 775 3HG2 ILE 47 3HG2 ILE 47 -15.566 -12.439 19.457 776 1HD1 ILE 47 3HD1 ILE 47 -15.234 -15.152 17.852 777 2HD1 ILE 47 2HD1 ILE 47 -15.120 -16.760 18.569 778 3HD1 ILE 47 1HD1 ILE 47 -16.591 -16.271 17.726 779 1H GLY 1 1H GLY 1 38.500 2.393 -10.608 780 2H GLY 1 3H GLY 1 39.308 1.431 -9.470 781 3H GLY 1 2H GLY 1 40.165 2.102 -10.774 782 1HA GLY 1 2HA GLY 1 38.937 0.753 -12.337 783 2HA GLY 1 1HA GLY 1 39.733 -0.256 -11.129 784 H SER 2 H SER 2 38.466 -1.492 -9.750 785 HA SER 2 HA SER 2 35.529 -1.444 -10.301 786 1HB SER 2 2HB SER 2 37.549 -3.441 -10.093 787 2HB SER 2 1HB SER 2 36.440 -3.685 -8.747 788 HG SER 2 HG SER 2 35.766 -4.757 -10.665 789 H HIS 3 H HIS 3 34.515 -2.641 -8.084 790 HA HIS 3 HA HIS 3 33.815 -2.195 -5.871 791 1HB HIS 3 2HB HIS 3 36.751 -2.010 -6.027 792 2HB HIS 3 1HB HIS 3 36.059 -1.167 -4.641 793 HD1 HIS 3 HD1 HIS 3 37.288 -3.217 -3.299 794 HD2 HIS 3 HD2 HIS 3 33.930 -4.216 -5.559 795 HE1 HIS 3 HE1 HIS 3 36.508 -5.477 -2.461 796 H MET 4 H MET 4 34.023 -0.248 -4.130 797 HA MET 4 HA MET 4 33.489 2.010 -3.686 798 1HB MET 4 2HB MET 4 35.594 1.881 -5.731 799 2HB MET 4 1HB MET 4 34.687 3.394 -5.766 800 1HG MET 4 2HG MET 4 35.102 3.718 -3.366 801 2HG MET 4 1HG MET 4 35.976 2.187 -3.299 802 1HE MET 4 3HE MET 4 37.908 2.816 -2.398 803 2HE MET 4 2HE MET 4 39.170 3.874 -3.023 804 3HE MET 4 1HE MET 4 37.771 4.570 -2.210 805 H GLU 5 H GLU 5 32.416 4.006 -4.797 806 HA GLU 5 HA GLU 5 31.090 3.733 -7.334 807 1HB GLU 5 2HB GLU 5 28.884 3.062 -6.566 808 2HB GLU 5 1HB GLU 5 30.048 1.879 -5.971 809 1HG GLU 5 2HG GLU 5 30.158 3.347 -3.844 810 2HG GLU 5 1HG GLU 5 28.668 4.078 -4.440 811 H GLU 6 H GLU 6 28.770 5.160 -6.921 812 HA GLU 6 HA GLU 6 29.532 7.555 -5.301 813 1HB GLU 6 2HB GLU 6 29.294 7.230 -8.229 814 2HB GLU 6 1HB GLU 6 28.453 8.636 -7.576 815 1HG GLU 6 2HG GLU 6 31.069 8.341 -6.356 816 2HG GLU 6 1HG GLU 6 31.200 8.431 -8.112 817 H ASP 7 H ASP 7 27.438 9.189 -5.866 818 HA ASP 7 HA ASP 7 24.880 7.954 -6.103 819 1HB ASP 7 2HB ASP 7 25.646 6.892 -3.998 820 2HB ASP 7 1HB ASP 7 25.880 8.490 -3.289 821 HA PRO 8 HA PRO 8 25.122 12.589 -6.049 822 1HB PRO 8 2HB PRO 8 24.166 12.955 -8.590 823 2HB PRO 8 1HB PRO 8 25.889 12.725 -8.231 824 1HG PRO 8 2HG PRO 8 23.901 10.784 -9.281 825 2HG PRO 8 1HG PRO 8 25.617 10.971 -9.676 826 1HD PRO 8 2HD PRO 8 24.623 9.033 -8.009 827 2HD PRO 8 1HD PRO 8 26.287 9.652 -7.939 828 H CYS 9 H CYS 9 22.650 10.522 -7.596 829 HA CYS 9 HA CYS 9 20.532 12.208 -6.312 830 1HB CYS 9 2HB CYS 9 20.755 10.627 -8.876 831 2HB CYS 9 1HB CYS 9 19.182 11.092 -8.229 832 H GLU 10 H GLU 10 21.490 10.432 -4.540 833 HA GLU 10 HA GLU 10 21.073 8.425 -3.342 834 1HB GLU 10 2HB GLU 10 18.450 9.550 -4.310 835 2HB GLU 10 1HB GLU 10 18.488 8.126 -3.271 836 1HG GLU 10 2HG GLU 10 19.328 9.299 -1.461 837 2HG GLU 10 1HG GLU 10 20.106 10.513 -2.476 838 H CYS 11 H CYS 11 21.953 7.851 -5.986 839 HA CYS 11 HA CYS 11 20.477 6.297 -7.699 840 1HB CYS 11 2HB CYS 11 23.258 6.215 -6.619 841 2HB CYS 11 1HB CYS 11 22.734 4.851 -7.612 842 H LYS 12 H LYS 12 21.595 5.354 -4.478 843 HA LYS 12 HA LYS 12 20.040 2.801 -4.768 844 1HB LYS 12 2HB LYS 12 22.552 3.498 -3.220 845 2HB LYS 12 1HB LYS 12 21.698 1.963 -3.053 846 1HG LYS 12 2HG LYS 12 22.896 1.211 -4.807 847 2HG LYS 12 1HG LYS 12 21.971 2.325 -5.817 848 1HD LYS 12 2HD LYS 12 23.640 4.116 -5.266 849 2HD LYS 12 1HD LYS 12 24.601 2.900 -4.422 850 1HE LYS 12 2HE LYS 12 24.281 1.602 -6.757 851 2HE LYS 12 1HE LYS 12 24.178 3.271 -7.352 852 1HZ LYS 12 1HZ LYS 12 26.276 2.338 -5.472 853 2HZ LYS 12 3HZ LYS 12 26.494 2.368 -7.154 854 3HZ LYS 12 2HZ LYS 12 26.217 3.817 -6.308 855 H SER 13 H SER 13 20.142 5.801 -3.205 856 HA SER 13 HA SER 13 19.091 4.935 -0.603 857 1HB SER 13 2HB SER 13 19.788 7.450 -2.036 858 2HB SER 13 1HB SER 13 18.630 7.592 -0.720 859 HG SER 13 HG SER 13 20.137 6.996 0.681 860 H ILE 14 H ILE 14 17.804 6.060 -3.665 861 HA ILE 14 HA ILE 14 15.060 6.442 -2.724 862 HB ILE 14 HB ILE 14 16.461 6.262 -5.412 863 1HG1 ILE 14 2HG1 ILE 14 15.145 8.709 -4.313 864 2HG1 ILE 14 1HG1 ILE 14 16.692 8.219 -3.632 865 1HG2 ILE 14 1HG2 ILE 14 13.583 7.025 -4.819 866 2HG2 ILE 14 3HG2 ILE 14 14.378 7.180 -6.386 867 3HG2 ILE 14 2HG2 ILE 14 14.113 5.583 -5.687 868 1HD1 ILE 14 2HD1 ILE 14 17.671 8.161 -5.907 869 2HD1 ILE 14 1HD1 ILE 14 16.128 8.699 -6.572 870 3HD1 ILE 14 3HD1 ILE 14 17.048 9.764 -5.512 871 H VAL 15 H VAL 15 16.874 4.051 -4.590 872 HA VAL 15 HA VAL 15 14.619 2.235 -4.930 873 HB VAL 15 HB VAL 15 17.509 1.428 -5.158 874 1HG1 VAL 15 1HG1 VAL 15 14.986 0.997 -6.781 875 2HG1 VAL 15 3HG1 VAL 15 16.576 0.414 -7.274 876 3HG1 VAL 15 2HG1 VAL 15 15.831 -0.197 -5.796 877 1HG2 VAL 15 1HG2 VAL 15 16.069 3.469 -6.878 878 2HG2 VAL 15 3HG2 VAL 15 17.657 3.615 -6.125 879 3HG2 VAL 15 2HG2 VAL 15 17.428 2.524 -7.482 880 H LYS 16 H LYS 16 17.018 2.855 -2.513 881 HA LYS 16 HA LYS 16 16.939 0.273 -1.176 882 1HB LYS 16 2HB LYS 16 18.807 1.636 -0.683 883 2HB LYS 16 1HB LYS 16 17.821 3.092 -0.556 884 1HG LYS 16 2HG LYS 16 18.686 2.133 1.650 885 2HG LYS 16 1HG LYS 16 16.950 2.435 1.567 886 1HD LYS 16 2HD LYS 16 16.499 0.260 1.916 887 2HD LYS 16 1HD LYS 16 17.539 -0.212 0.572 888 1HE LYS 16 2HE LYS 16 18.650 -1.231 2.363 889 2HE LYS 16 1HE LYS 16 19.473 0.341 2.326 890 1HZ LYS 16 2HZ LYS 16 17.502 1.087 3.784 891 2HZ LYS 16 1HZ LYS 16 17.305 -0.569 4.108 892 3HZ LYS 16 3HZ LYS 16 18.760 0.207 4.511 893 H PHE 17 H PHE 17 15.342 3.422 -0.791 894 HA PHE 17 HA PHE 17 13.651 2.668 1.422 895 1HB PHE 17 2HB PHE 17 13.811 4.965 1.106 896 2HB PHE 17 1HB PHE 17 13.860 4.818 -0.651 897 HD1 PHE 17 HD1 PHE 17 11.622 4.739 2.318 898 HD2 PHE 17 HD2 PHE 17 11.868 4.869 -1.966 899 HE1 PHE 17 HE1 PHE 17 9.194 5.222 2.192 900 HE2 PHE 17 HE2 PHE 17 9.444 5.354 -2.095 901 HZ PHE 17 HZ PHE 17 8.102 5.533 -0.016 902 H GLN 18 H GLN 18 13.497 2.278 -2.064 903 HA GLN 18 HA GLN 18 10.724 1.671 -2.363 904 1HB GLN 18 2HB GLN 18 13.282 1.058 -3.809 905 2HB GLN 18 1HB GLN 18 11.789 0.284 -4.343 906 1HG GLN 18 2HG GLN 18 10.725 2.558 -4.448 907 2HG GLN 18 1HG GLN 18 12.307 3.259 -4.102 908 1HE2 GLN 18 2HE2 GLN 18 11.845 3.103 -7.817 909 2HE2 GLN 18 1HE2 GLN 18 10.976 3.820 -6.552 910 H THR 19 H THR 19 13.519 -0.448 -1.711 911 HA THR 19 HA THR 19 12.141 -2.942 -1.677 912 HB THR 19 HB THR 19 14.559 -1.818 -0.238 913 HG1 THR 19 HG1 THR 19 14.008 -3.120 -2.594 914 1HG2 THR 19 3HG2 THR 19 13.171 -4.426 0.112 915 2HG2 THR 19 2HG2 THR 19 14.930 -4.471 -0.007 916 3HG2 THR 19 1HG2 THR 19 14.156 -3.513 1.255 917 H LYS 20 H LYS 20 12.583 -0.465 0.830 918 HA LYS 20 HA LYS 20 11.396 -1.914 3.007 919 1HB LYS 20 2HB LYS 20 11.833 0.980 2.260 920 2HB LYS 20 1HB LYS 20 10.966 0.563 3.738 921 1HG LYS 20 2HG LYS 20 13.386 -1.021 3.465 922 2HG LYS 20 1HG LYS 20 13.745 0.705 3.426 923 1HD LYS 20 2HD LYS 20 12.006 0.726 5.457 924 2HD LYS 20 1HD LYS 20 12.575 -0.935 5.625 925 1HE LYS 20 2HE LYS 20 14.160 0.192 6.923 926 2HE LYS 20 1HE LYS 20 14.963 0.230 5.341 927 1HZ LYS 20 1HZ LYS 20 13.066 2.320 6.258 928 2HZ LYS 20 3HZ LYS 20 14.746 2.449 6.453 929 3HZ LYS 20 2HZ LYS 20 14.077 2.367 4.892 930 H VAL 21 H VAL 21 10.142 -0.031 0.331 931 HA VAL 21 HA VAL 21 7.376 0.031 1.285 932 HB VAL 21 HB VAL 21 9.019 0.905 -1.038 933 1HG1 VAL 21 3HG1 VAL 21 6.044 0.373 -1.265 934 2HG1 VAL 21 2HG1 VAL 21 6.936 1.429 -2.361 935 3HG1 VAL 21 1HG1 VAL 21 7.326 -0.289 -2.280 936 1HG2 VAL 21 2HG2 VAL 21 7.152 2.017 0.971 937 2HG2 VAL 21 1HG2 VAL 21 8.611 2.726 0.276 938 3HG2 VAL 21 3HG2 VAL 21 7.091 2.783 -0.617 939 H GLU 22 H GLU 22 9.436 -2.145 -0.446 940 HA GLU 22 HA GLU 22 7.387 -3.613 -1.879 941 1HB GLU 22 2HB GLU 22 10.280 -3.840 -1.182 942 2HB GLU 22 1HB GLU 22 9.466 -5.318 -1.676 943 1HG GLU 22 2HG GLU 22 8.604 -3.341 -3.487 944 2HG GLU 22 1HG GLU 22 10.342 -3.099 -3.304 945 H GLU 23 H GLU 23 9.187 -4.183 1.157 946 HA GLU 23 HA GLU 23 7.669 -6.579 1.819 947 1HB GLU 23 2HB GLU 23 8.922 -6.331 3.963 948 2HB GLU 23 1HB GLU 23 9.976 -6.196 2.556 949 1HG GLU 23 2HG GLU 23 10.174 -3.859 2.772 950 2HG GLU 23 1HG GLU 23 8.747 -3.741 3.801 951 H LEU 24 H LEU 24 7.403 -3.133 2.537 952 HA LEU 24 HA LEU 24 5.490 -3.386 4.690 953 1HB LEU 24 2HB LEU 24 7.028 -1.416 3.767 954 2HB LEU 24 1HB LEU 24 5.577 -1.031 2.839 955 HG LEU 24 HG LEU 24 4.365 -1.324 5.156 956 1HD1 LEU 24 2HD1 LEU 24 7.253 -0.801 5.912 957 2HD1 LEU 24 1HD1 LEU 24 5.897 -0.495 6.998 958 3HD1 LEU 24 3HD1 LEU 24 6.232 -2.136 6.445 959 1HD2 LEU 24 2HD2 LEU 24 5.855 0.953 3.965 960 2HD2 LEU 24 1HD2 LEU 24 4.147 0.821 4.384 961 3HD2 LEU 24 3HD2 LEU 24 5.338 1.163 5.639 962 H ILE 25 H ILE 25 5.172 -2.847 1.165 963 HA ILE 25 HA ILE 25 2.319 -2.612 1.124 964 HB ILE 25 HB ILE 25 4.550 -2.734 -0.689 965 1HG1 ILE 25 2HG1 ILE 25 3.102 -1.402 -2.076 966 2HG1 ILE 25 1HG1 ILE 25 1.666 -2.015 -1.255 967 1HG2 ILE 25 2HG2 ILE 25 3.735 -5.017 -1.249 968 2HG2 ILE 25 1HG2 ILE 25 2.146 -4.341 -1.607 969 3HG2 ILE 25 3HG2 ILE 25 3.538 -3.895 -2.595 970 1HD1 ILE 25 1HD1 ILE 25 3.515 -0.909 0.671 971 2HD1 ILE 25 3HD1 ILE 25 3.158 0.279 -0.582 972 3HD1 ILE 25 2HD1 ILE 25 1.845 -0.446 0.346 973 H ASN 26 H ASN 26 4.491 -5.432 0.855 974 HA ASN 26 HA ASN 26 2.492 -7.402 0.321 975 1HB ASN 26 2HB ASN 26 5.134 -7.411 0.398 976 2HB ASN 26 1HB ASN 26 4.883 -7.911 2.070 977 1HD2 ASN 26 2HD2 ASN 26 3.553 -11.116 1.188 978 2HD2 ASN 26 1HD2 ASN 26 3.599 -9.943 2.413 979 H THR 27 H THR 27 3.754 -6.049 3.338 980 HA THR 27 HA THR 27 2.319 -7.733 5.168 981 HB THR 27 HB THR 27 3.505 -4.951 5.247 982 HG1 THR 27 HG1 THR 27 4.583 -7.247 5.242 983 1HG2 THR 27 1HG2 THR 27 2.207 -6.535 7.477 984 2HG2 THR 27 3HG2 THR 27 3.301 -5.179 7.758 985 3HG2 THR 27 2HG2 THR 27 1.772 -4.921 6.917 986 H LEU 28 H LEU 28 1.459 -4.783 3.419 987 HA LEU 28 HA LEU 28 -0.965 -4.222 4.910 988 1HB LEU 28 2HB LEU 28 0.249 -3.431 2.264 989 2HB LEU 28 1HB LEU 28 -1.383 -2.908 2.679 990 HG LEU 28 HG LEU 28 0.756 -2.536 4.729 991 1HD1 LEU 28 2HD1 LEU 28 0.563 -1.086 2.105 992 2HD1 LEU 28 1HD1 LEU 28 1.062 -0.205 3.550 993 3HD1 LEU 28 3HD1 LEU 28 2.000 -1.592 2.994 994 1HD2 LEU 28 1HD2 LEU 28 -1.692 -1.006 3.801 995 2HD2 LEU 28 3HD2 LEU 28 -1.504 -1.909 5.305 996 3HD2 LEU 28 2HD2 LEU 28 -0.595 -0.420 5.051 997 H GLN 29 H GLN 29 -0.261 -5.901 1.847 998 HA GLN 29 HA GLN 29 -3.009 -6.602 1.273 999 1HB GLN 29 2HB GLN 29 -0.770 -6.496 -0.148 1000 2HB GLN 29 1HB GLN 29 -0.619 -8.176 0.363 1001 1HG GLN 29 2HG GLN 29 -3.233 -7.218 -0.763 1002 2HG GLN 29 1HG GLN 29 -1.910 -7.603 -1.862 1003 1HE2 GLN 29 2HE2 GLN 29 -4.086 -10.626 -0.573 1004 2HE2 GLN 29 1HE2 GLN 29 -4.601 -9.017 -0.717 1005 H GLN 30 H GLN 30 -0.648 -7.727 3.478 1006 HA GLN 30 HA GLN 30 -1.591 -10.489 3.702 1007 1HB GLN 30 2HB GLN 30 0.289 -8.637 5.167 1008 2HB GLN 30 1HB GLN 30 -0.100 -10.225 5.830 1009 1HG GLN 30 2HG GLN 30 0.524 -10.375 2.993 1010 2HG GLN 30 1HG GLN 30 1.849 -9.669 3.913 1011 1HE2 GLN 30 2HE2 GLN 30 2.329 -13.350 4.075 1012 2HE2 GLN 30 1HE2 GLN 30 2.381 -12.158 2.867 1013 H LYS 31 H LYS 31 -1.712 -7.585 5.785 1014 HA LYS 31 HA LYS 31 -3.542 -8.679 7.714 1015 1HB LYS 31 2HB LYS 31 -2.665 -5.929 6.823 1016 2HB LYS 31 1HB LYS 31 -3.900 -6.112 8.069 1017 1HG LYS 31 2HG LYS 31 -2.314 -7.577 9.345 1018 2HG LYS 31 1HG LYS 31 -1.075 -7.211 8.144 1019 1HD LYS 31 2HD LYS 31 -1.450 -4.758 8.646 1020 2HD LYS 31 1HD LYS 31 -2.464 -5.261 9.999 1021 1HE LYS 31 2HE LYS 31 0.389 -6.234 9.663 1022 2HE LYS 31 1HE LYS 31 -0.030 -4.789 10.604 1023 1HZ LYS 31 3HZ LYS 31 -1.778 -6.969 11.178 1024 2HZ LYS 31 2HZ LYS 31 -0.161 -7.387 11.482 1025 3HZ LYS 31 1HZ LYS 31 -0.848 -6.032 12.241 1026 H LEU 32 H LEU 32 -3.901 -7.414 4.521 1027 HA LEU 32 HA LEU 32 -6.730 -6.720 4.686 1028 1HB LEU 32 2HB LEU 32 -4.803 -5.946 3.091 1029 2HB LEU 32 1HB LEU 32 -5.175 -7.423 2.200 1030 HG LEU 32 HG LEU 32 -7.494 -6.717 1.923 1031 1HD1 LEU 32 1HD1 LEU 32 -6.607 -4.518 3.777 1032 2HD1 LEU 32 3HD1 LEU 32 -7.937 -4.240 2.653 1033 3HD1 LEU 32 2HD1 LEU 32 -8.055 -5.521 3.859 1034 1HD2 LEU 32 1HD2 LEU 32 -5.229 -4.972 1.093 1035 2HD2 LEU 32 3HD2 LEU 32 -6.386 -5.859 0.101 1036 3HD2 LEU 32 2HD2 LEU 32 -6.851 -4.329 0.842 1037 H GLU 33 H GLU 33 -4.882 -9.411 3.202 1038 HA GLU 33 HA GLU 33 -7.181 -10.954 2.427 1039 1HB GLU 33 2HB GLU 33 -4.919 -11.238 1.500 1040 2HB GLU 33 1HB GLU 33 -4.315 -11.725 3.085 1041 1HG GLU 33 2HG GLU 33 -5.348 -13.794 2.999 1042 2HG GLU 33 1HG GLU 33 -6.635 -13.224 1.936 1043 H ALA 34 H ALA 34 -5.729 -10.320 5.464 1044 HA ALA 34 HA ALA 34 -6.763 -12.773 6.767 1045 1HB ALA 34 2HB ALA 34 -4.729 -10.797 7.205 1046 2HB ALA 34 1HB ALA 34 -5.836 -10.747 8.576 1047 3HB ALA 34 3HB ALA 34 -5.034 -12.257 8.147 1048 H VAL 35 H VAL 35 -7.349 -9.331 6.448 1049 HA VAL 35 HA VAL 35 -9.410 -9.008 8.397 1050 HB VAL 35 HB VAL 35 -8.402 -7.677 5.917 1051 1HG1 VAL 35 1HG1 VAL 35 -10.897 -7.631 5.706 1052 2HG1 VAL 35 3HG1 VAL 35 -10.968 -6.815 7.267 1053 3HG1 VAL 35 2HG1 VAL 35 -10.178 -6.033 5.898 1054 1HG2 VAL 35 3HG2 VAL 35 -7.637 -7.357 8.383 1055 2HG2 VAL 35 2HG2 VAL 35 -7.886 -5.918 7.394 1056 3HG2 VAL 35 1HG2 VAL 35 -9.118 -6.413 8.555 1057 H ALA 36 H ALA 36 -9.406 -10.090 5.011 1058 HA ALA 36 HA ALA 36 -12.277 -10.250 4.711 1059 1HB ALA 36 3HB ALA 36 -10.502 -10.174 2.904 1060 2HB ALA 36 2HB ALA 36 -10.075 -11.831 3.335 1061 3HB ALA 36 1HB ALA 36 -11.677 -11.472 2.690 1062 H LYS 37 H LYS 37 -9.796 -12.290 6.088 1063 HA LYS 37 HA LYS 37 -11.364 -14.739 6.179 1064 1HB LYS 37 2HB LYS 37 -8.733 -13.786 6.782 1065 2HB LYS 37 1HB LYS 37 -9.356 -14.591 8.222 1066 1HG LYS 37 2HG LYS 37 -8.767 -16.533 7.228 1067 2HG LYS 37 1HG LYS 37 -10.138 -16.273 6.149 1068 1HD LYS 37 2HD LYS 37 -8.795 -15.350 4.457 1069 2HD LYS 37 1HD LYS 37 -7.484 -14.972 5.574 1070 1HE LYS 37 2HE LYS 37 -6.539 -17.018 5.289 1071 2HE LYS 37 1HE LYS 37 -8.097 -17.843 5.501 1072 1HZ LYS 37 3HZ LYS 37 -7.639 -16.260 3.070 1073 2HZ LYS 37 2HZ LYS 37 -6.947 -17.807 3.170 1074 3HZ LYS 37 1HZ LYS 37 -8.630 -17.616 3.296 1075 H ARG 38 H ARG 38 -10.807 -12.008 8.358 1076 HA ARG 38 HA ARG 38 -12.209 -13.133 10.627 1077 1HB ARG 38 2HB ARG 38 -11.752 -10.224 9.902 1078 2HB ARG 38 1HB ARG 38 -11.915 -10.912 11.516 1079 1HG ARG 38 2HG ARG 38 -9.787 -12.220 10.026 1080 2HG ARG 38 1HG ARG 38 -9.520 -10.480 10.132 1081 1HD ARG 38 2HD ARG 38 -8.708 -10.881 12.213 1082 2HD ARG 38 1HD ARG 38 -10.387 -11.197 12.698 1083 HE ARG 38 HE ARG 38 -8.447 -13.289 11.811 1084 1HH1 ARG 38 2HH1 ARG 38 -10.758 -14.610 11.135 1085 2HH1 ARG 38 1HH1 ARG 38 -11.482 -15.160 12.608 1086 1HH2 ARG 38 1HH2 ARG 38 -9.666 -12.994 14.619 1087 2HH2 ARG 38 2HH2 ARG 38 -10.866 -14.244 14.582 1088 H ILE 39 H ILE 39 -13.053 -11.058 7.894 1089 HA ILE 39 HA ILE 39 -15.697 -10.329 8.635 1090 HB ILE 39 HB ILE 39 -14.285 -10.868 6.011 1091 1HG1 ILE 39 2HG1 ILE 39 -13.665 -8.912 7.560 1092 2HG1 ILE 39 1HG1 ILE 39 -14.056 -8.501 5.892 1093 1HG2 ILE 39 2HG2 ILE 39 -17.115 -9.977 6.543 1094 2HG2 ILE 39 1HG2 ILE 39 -16.270 -9.484 5.076 1095 3HG2 ILE 39 3HG2 ILE 39 -16.538 -11.194 5.406 1096 1HD1 ILE 39 1HD1 ILE 39 -16.029 -8.393 8.187 1097 2HD1 ILE 39 3HD1 ILE 39 -15.161 -6.999 7.550 1098 3HD1 ILE 39 2HD1 ILE 39 -16.314 -7.858 6.530 1099 H GLU 40 H GLU 40 -14.451 -13.142 6.851 1100 HA GLU 40 HA GLU 40 -16.952 -14.453 6.418 1101 1HB GLU 40 2HB GLU 40 -14.205 -15.655 6.902 1102 2HB GLU 40 1HB GLU 40 -15.528 -16.387 5.989 1103 1HG GLU 40 2HG GLU 40 -14.993 -13.739 4.976 1104 2HG GLU 40 1HG GLU 40 -13.503 -14.683 4.992 1105 H ALA 41 H ALA 41 -14.717 -14.331 9.151 1106 HA ALA 41 HA ALA 41 -15.822 -16.441 10.729 1107 1HB ALA 41 2HB ALA 41 -13.800 -14.608 10.934 1108 2HB ALA 41 1HB ALA 41 -14.958 -13.950 12.090 1109 3HB ALA 41 3HB ALA 41 -14.357 -15.597 12.285 1110 H LEU 42 H LEU 42 -16.756 -13.058 10.273 1111 HA LEU 42 HA LEU 42 -18.922 -13.159 12.237 1112 1HB LEU 42 2HB LEU 42 -18.113 -11.244 10.023 1113 2HB LEU 42 1HB LEU 42 -19.433 -10.926 11.138 1114 HG LEU 42 HG LEU 42 -17.849 -9.913 12.408 1115 1HD1 LEU 42 1HD1 LEU 42 -16.980 -12.784 12.871 1116 2HD1 LEU 42 3HD1 LEU 42 -16.540 -11.418 13.896 1117 3HD1 LEU 42 2HD1 LEU 42 -18.228 -11.914 13.765 1118 1HD2 LEU 42 3HD2 LEU 42 -16.201 -10.971 10.327 1119 2HD2 LEU 42 2HD2 LEU 42 -15.884 -9.592 11.380 1120 3HD2 LEU 42 1HD2 LEU 42 -15.373 -11.208 11.867 1121 H GLU 43 H GLU 43 -18.488 -13.821 8.829 1122 HA GLU 43 HA GLU 43 -21.282 -13.713 8.059 1123 1HB GLU 43 2HB GLU 43 -18.872 -15.166 6.916 1124 2HB GLU 43 1HB GLU 43 -20.391 -14.892 6.063 1125 1HG GLU 43 2HG GLU 43 -19.708 -12.374 7.012 1126 2HG GLU 43 1HG GLU 43 -18.166 -13.062 6.507 1127 H ASN 44 H ASN 44 -19.331 -15.943 9.796 1128 HA ASN 44 HA ASN 44 -20.823 -18.369 9.204 1129 1HB ASN 44 2HB ASN 44 -18.911 -17.463 11.376 1130 2HB ASN 44 1HB ASN 44 -19.583 -19.093 11.333 1131 1HD2 ASN 44 2HD2 ASN 44 -17.876 -19.830 8.158 1132 2HD2 ASN 44 1HD2 ASN 44 -19.436 -19.969 8.811 1133 H LYS 45 H LYS 45 -21.253 -15.627 11.281 1134 HA LYS 45 HA LYS 45 -23.520 -17.010 12.680 1135 1HB LYS 45 2HB LYS 45 -21.669 -14.746 13.498 1136 2HB LYS 45 1HB LYS 45 -23.053 -15.275 14.455 1137 1HG LYS 45 2HG LYS 45 -21.142 -16.416 15.349 1138 2HG LYS 45 1HG LYS 45 -22.041 -17.610 14.411 1139 1HD LYS 45 2HD LYS 45 -20.386 -17.833 12.877 1140 2HD LYS 45 1HD LYS 45 -20.063 -16.099 12.836 1141 1HE LYS 45 2HE LYS 45 -18.385 -16.261 14.380 1142 2HE LYS 45 1HE LYS 45 -19.298 -17.412 15.377 1143 1HZ LYS 45 3HZ LYS 45 -18.896 -18.868 13.193 1144 2HZ LYS 45 2HZ LYS 45 -17.491 -17.915 13.149 1145 3HZ LYS 45 1HZ LYS 45 -17.829 -18.875 14.510 1146 H ILE 46 H ILE 46 -22.664 -14.610 10.423 1147 HA ILE 46 HA ILE 46 -25.133 -13.009 10.927 1148 HB ILE 46 HB ILE 46 -22.629 -12.644 9.250 1149 1HG1 ILE 46 2HG1 ILE 46 -22.071 -11.916 11.399 1150 2HG1 ILE 46 1HG1 ILE 46 -22.703 -10.432 10.698 1151 1HG2 ILE 46 1HG2 ILE 46 -25.102 -10.896 9.370 1152 2HG2 ILE 46 3HG2 ILE 46 -23.582 -10.445 8.595 1153 3HG2 ILE 46 2HG2 ILE 46 -24.524 -11.797 7.969 1154 1HD1 ILE 46 2HD1 ILE 46 -24.991 -11.193 11.645 1155 2HD1 ILE 46 1HD1 ILE 46 -24.049 -12.308 12.636 1156 3HD1 ILE 46 3HD1 ILE 46 -23.795 -10.569 12.783 1157 H ILE 47 HN ILE 47 -23.744 -15.387 8.805 1158 HA ILE 47 HA ILE 47 -26.219 -15.250 7.127 1159 HB ILE 47 HB ILE 47 -23.913 -14.183 6.310 1160 1HG1 ILE 47 2HG1 ILE 47 -24.904 -15.637 4.042 1161 2HG1 ILE 47 1HG1 ILE 47 -26.263 -15.202 5.077 1162 1HG2 ILE 47 2HG2 ILE 47 -23.077 -16.786 6.585 1163 2HG2 ILE 47 1HG2 ILE 47 -23.509 -16.725 4.878 1164 3HG2 ILE 47 3HG2 ILE 47 -22.320 -15.598 5.527 1165 1HD1 ILE 47 1HD1 ILE 47 -25.115 -12.854 5.168 1166 2HD1 ILE 47 3HD1 ILE 47 -24.278 -13.400 3.714 1167 3HD1 ILE 47 2HD1 ILE 47 -26.039 -13.297 3.733 No H/Q in entry = 1167 Start of MODEL 11 1 1H GLY 1 3H GLY 1 32.188 11.086 -13.690 2 2H GLY 1 2H GLY 1 31.806 12.590 -12.997 3 3H GLY 1 1H GLY 1 33.394 11.991 -12.912 4 1HA GLY 1 2HA GLY 1 32.877 11.201 -10.916 5 2HA GLY 1 1HA GLY 1 31.159 11.482 -11.200 6 H SER 2 H SER 2 30.240 9.889 -12.963 7 HA SER 2 HA SER 2 31.234 7.142 -12.271 8 1HB SER 2 2HB SER 2 28.517 8.346 -12.808 9 2HB SER 2 1HB SER 2 28.773 6.605 -12.869 10 HG SER 2 HG SER 2 29.735 6.905 -10.707 11 H HIS 3 H HIS 3 30.996 5.525 -14.021 12 HA HIS 3 HA HIS 3 30.467 6.468 -16.753 13 1HB HIS 3 2HB HIS 3 32.758 6.118 -17.522 14 2HB HIS 3 1HB HIS 3 32.776 7.259 -16.179 15 HD1 HIS 3 HD1 HIS 3 34.548 4.415 -17.305 16 HD2 HIS 3 HD2 HIS 3 33.117 5.593 -13.572 17 HE1 HIS 3 HE1 HIS 3 35.863 3.098 -15.587 18 H MET 4 H MET 4 29.162 4.454 -15.366 19 HA MET 4 HA MET 4 30.356 1.833 -15.835 20 1HB MET 4 2HB MET 4 28.086 3.038 -14.527 21 2HB MET 4 1HB MET 4 27.534 1.695 -15.529 22 1HG MET 4 2HG MET 4 28.265 0.268 -13.953 23 2HG MET 4 1HG MET 4 29.910 0.820 -14.264 24 1HE MET 4 3HE MET 4 26.743 1.001 -12.349 25 2HE MET 4 2HE MET 4 26.976 2.142 -11.027 26 3HE MET 4 1HE MET 4 26.726 2.741 -12.665 27 H GLU 5 H GLU 5 28.468 0.308 -17.020 28 HA GLU 5 HA GLU 5 28.563 1.204 -19.832 29 1HB GLU 5 2HB GLU 5 28.318 -1.278 -18.272 30 2HB GLU 5 1HB GLU 5 27.289 -1.253 -19.705 31 1HG GLU 5 2HG GLU 5 29.064 -1.541 -21.062 32 2HG GLU 5 1HG GLU 5 29.909 -0.182 -20.322 33 H GLU 6 H GLU 6 25.936 -0.654 -18.370 34 HA GLU 6 HA GLU 6 24.020 1.521 -19.150 35 1HB GLU 6 2HB GLU 6 24.259 -1.342 -19.906 36 2HB GLU 6 1HB GLU 6 22.624 -0.775 -19.560 37 1HG GLU 6 2HG GLU 6 22.640 0.765 -21.309 38 2HG GLU 6 1HG GLU 6 24.401 0.875 -21.327 39 H ASP 7 H ASP 7 21.895 1.294 -17.980 40 HA ASP 7 HA ASP 7 20.734 1.177 -15.919 41 1HB ASP 7 2HB ASP 7 20.616 -1.139 -16.677 42 2HB ASP 7 1HB ASP 7 22.224 -1.464 -16.029 43 HA PRO 8 HA PRO 8 24.740 2.066 -13.621 44 1HB PRO 8 2HB PRO 8 24.526 4.794 -13.563 45 2HB PRO 8 1HB PRO 8 25.346 3.918 -14.870 46 1HG PRO 8 2HG PRO 8 22.622 5.107 -14.808 47 2HG PRO 8 1HG PRO 8 23.796 5.039 -16.132 48 1HD PRO 8 2HD PRO 8 21.628 3.379 -15.927 49 2HD PRO 8 1HD PRO 8 23.121 2.958 -16.794 50 H CYS 9 H CYS 9 21.842 4.185 -13.352 51 HA CYS 9 HA CYS 9 21.752 3.499 -10.432 52 1HB CYS 9 2HB CYS 9 21.445 6.026 -12.020 53 2HB CYS 9 1HB CYS 9 20.562 5.871 -10.499 54 H GLU 10 H GLU 10 20.370 2.005 -12.535 55 HA GLU 10 HA GLU 10 18.194 1.296 -13.141 56 1HB GLU 10 2HB GLU 10 18.062 2.154 -10.245 57 2HB GLU 10 1HB GLU 10 16.718 1.334 -11.039 58 1HG GLU 10 2HG GLU 10 17.760 -0.669 -10.947 59 2HG GLU 10 1HG GLU 10 19.274 0.011 -11.545 60 H CYS 11 H CYS 11 18.743 4.036 -13.917 61 HA CYS 11 HA CYS 11 16.968 6.028 -13.207 62 1HB CYS 11 2HB CYS 11 18.227 5.086 -15.749 63 2HB CYS 11 1HB CYS 11 17.009 6.360 -15.862 64 H LYS 12 H LYS 12 16.225 3.028 -14.859 65 HA LYS 12 HA LYS 12 13.354 3.892 -15.054 66 1HB LYS 12 2HB LYS 12 15.134 2.214 -16.831 67 2HB LYS 12 1HB LYS 12 13.376 2.161 -16.966 68 1HG LYS 12 2HG LYS 12 13.405 4.048 -18.184 69 2HG LYS 12 1HG LYS 12 14.175 4.904 -16.847 70 1HD LYS 12 2HD LYS 12 16.375 4.258 -17.612 71 2HD LYS 12 1HD LYS 12 15.687 3.195 -18.840 72 1HE LYS 12 2HE LYS 12 15.023 6.142 -18.810 73 2HE LYS 12 1HE LYS 12 16.480 5.537 -19.624 74 1HZ LYS 12 3HZ LYS 12 14.887 3.793 -20.595 75 2HZ LYS 12 2HZ LYS 12 13.653 4.879 -20.165 76 3HZ LYS 12 1HZ LYS 12 14.863 5.353 -21.259 77 H SER 13 H SER 13 15.578 1.727 -13.651 78 HA SER 13 HA SER 13 13.768 -0.568 -13.377 79 1HB SER 13 2HB SER 13 16.517 0.267 -12.586 80 2HB SER 13 1HB SER 13 15.771 -0.996 -11.617 81 HG SER 13 HG SER 13 17.009 -1.477 -13.715 82 H ILE 14 H ILE 14 14.600 2.287 -11.556 83 HA ILE 14 HA ILE 14 13.389 1.404 -9.035 84 HB ILE 14 HB ILE 14 14.541 3.952 -10.176 85 1HG1 ILE 14 2HG1 ILE 14 15.560 2.438 -7.797 86 2HG1 ILE 14 1HG1 ILE 14 15.876 1.806 -9.410 87 1HG2 ILE 14 3HG2 ILE 14 12.739 3.665 -7.959 88 2HG2 ILE 14 2HG2 ILE 14 14.331 4.111 -7.345 89 3HG2 ILE 14 1HG2 ILE 14 13.532 5.125 -8.547 90 1HD1 ILE 14 1HD1 ILE 14 16.811 4.031 -10.056 91 2HD1 ILE 14 3HD1 ILE 14 16.612 4.560 -8.386 92 3HD1 ILE 14 2HD1 ILE 14 17.727 3.248 -8.767 93 H VAL 15 H VAL 15 12.574 3.440 -11.787 94 HA VAL 15 HA VAL 15 10.018 4.309 -10.600 95 HB VAL 15 HB VAL 15 10.656 4.701 -13.492 96 1HG1 VAL 15 1HG1 VAL 15 9.555 6.279 -11.183 97 2HG1 VAL 15 3HG1 VAL 15 10.162 7.128 -12.604 98 3HG1 VAL 15 2HG1 VAL 15 8.838 5.976 -12.764 99 1HG2 VAL 15 2HG2 VAL 15 12.481 5.500 -11.260 100 2HG2 VAL 15 1HG2 VAL 15 12.864 5.121 -12.939 101 3HG2 VAL 15 3HG2 VAL 15 12.179 6.691 -12.526 102 H LYS 16 H LYS 16 11.310 1.780 -12.527 103 HA LYS 16 HA LYS 16 8.851 0.980 -13.874 104 1HB LYS 16 2HB LYS 16 10.912 0.265 -14.838 105 2HB LYS 16 1HB LYS 16 11.557 -0.239 -13.274 106 1HG LYS 16 2HG LYS 16 9.056 -1.598 -14.001 107 2HG LYS 16 1HG LYS 16 10.386 -1.927 -15.112 108 1HD LYS 16 2HD LYS 16 11.056 -1.996 -12.220 109 2HD LYS 16 1HD LYS 16 10.026 -3.301 -12.809 110 1HE LYS 16 2HE LYS 16 11.656 -4.012 -14.401 111 2HE LYS 16 1HE LYS 16 12.595 -2.518 -14.213 112 1HZ LYS 16 3HZ LYS 16 12.555 -3.248 -11.716 113 2HZ LYS 16 2HZ LYS 16 12.343 -4.796 -12.381 114 3HZ LYS 16 1HZ LYS 16 13.717 -3.877 -12.778 115 H PHE 17 H PHE 17 10.672 -0.002 -10.975 116 HA PHE 17 HA PHE 17 8.759 -2.000 -10.112 117 1HB PHE 17 2HB PHE 17 10.880 -2.237 -9.166 118 2HB PHE 17 1HB PHE 17 11.120 -0.496 -9.021 119 HD1 PHE 17 HD1 PHE 17 9.181 -3.361 -7.622 120 HD2 PHE 17 HD2 PHE 17 10.647 0.628 -6.995 121 HE1 PHE 17 HE1 PHE 17 8.416 -3.449 -5.272 122 HE2 PHE 17 HE2 PHE 17 9.885 0.540 -4.639 123 HZ PHE 17 HZ PHE 17 8.768 -1.501 -3.773 124 H GLN 18 H GLN 18 9.174 1.480 -9.646 125 HA GLN 18 HA GLN 18 7.357 1.933 -7.514 126 1HB GLN 18 2HB GLN 18 8.430 3.437 -9.862 127 2HB GLN 18 1HB GLN 18 7.052 4.141 -9.016 128 1HG GLN 18 2HG GLN 18 8.235 4.418 -7.030 129 2HG GLN 18 1HG GLN 18 9.380 3.132 -7.414 130 1HE2 GLN 18 2HE2 GLN 18 9.941 6.723 -9.357 131 2HE2 GLN 18 1HE2 GLN 18 8.358 6.180 -9.077 132 H THR 19 H THR 19 6.788 1.615 -11.002 133 HA THR 19 HA THR 19 4.012 2.215 -11.074 134 HB THR 19 HB THR 19 5.833 0.370 -12.636 135 HG1 THR 19 HG1 THR 19 5.915 2.764 -12.666 136 1HG2 THR 19 2HG2 THR 19 2.919 1.028 -13.114 137 2HG2 THR 19 1HG2 THR 19 3.981 0.340 -14.341 138 3HG2 THR 19 3HG2 THR 19 3.625 -0.572 -12.873 139 H LYS 20 H LYS 20 5.727 -0.763 -10.184 140 HA LYS 20 HA LYS 20 3.416 -2.485 -10.072 141 1HB LYS 20 2HB LYS 20 6.161 -2.437 -8.793 142 2HB LYS 20 1HB LYS 20 5.016 -3.734 -8.455 143 1HG LYS 20 2HG LYS 20 4.841 -4.159 -10.914 144 2HG LYS 20 1HG LYS 20 6.101 -2.951 -11.175 145 1HD LYS 20 2HD LYS 20 7.306 -4.973 -11.108 146 2HD LYS 20 1HD LYS 20 7.482 -4.342 -9.470 147 1HE LYS 20 2HE LYS 20 6.669 -6.348 -8.769 148 2HE LYS 20 1HE LYS 20 5.094 -5.801 -9.377 149 1HZ LYS 20 1HZ LYS 20 6.049 -6.506 -11.649 150 2HZ LYS 20 3HZ LYS 20 7.134 -7.438 -10.739 151 3HZ LYS 20 2HZ LYS 20 5.463 -7.713 -10.605 152 H VAL 21 H VAL 21 4.960 -0.239 -7.870 153 HA VAL 21 HA VAL 21 3.308 -0.900 -5.540 154 HB VAL 21 HB VAL 21 5.350 1.133 -6.391 155 1HG1 VAL 21 3HG1 VAL 21 3.565 1.318 -3.957 156 2HG1 VAL 21 2HG1 VAL 21 5.095 2.182 -4.110 157 3HG1 VAL 21 1HG1 VAL 21 3.772 2.524 -5.225 158 1HG2 VAL 21 1HG2 VAL 21 5.511 -1.301 -5.168 159 2HG2 VAL 21 3HG2 VAL 21 6.715 -0.026 -4.978 160 3HG2 VAL 21 2HG2 VAL 21 5.449 -0.231 -3.767 161 H GLU 22 H GLU 22 3.026 1.091 -8.370 162 HA GLU 22 HA GLU 22 1.102 2.997 -7.323 163 1HB GLU 22 2HB GLU 22 2.239 2.130 -9.949 164 2HB GLU 22 1HB GLU 22 0.742 3.056 -9.984 165 1HG GLU 22 2HG GLU 22 2.142 4.534 -8.203 166 2HG GLU 22 1HG GLU 22 3.469 3.906 -9.180 167 H GLU 23 H GLU 23 0.813 0.061 -9.361 168 HA GLU 23 HA GLU 23 -2.103 0.122 -9.312 169 1HB GLU 23 2HB GLU 23 -1.848 -1.981 -10.534 170 2HB GLU 23 1HB GLU 23 -0.664 -0.821 -11.136 171 1HG GLU 23 2HG GLU 23 1.024 -1.820 -9.571 172 2HG GLU 23 1HG GLU 23 -0.162 -3.057 -9.154 173 H LEU 24 H LEU 24 0.435 -1.712 -7.598 174 HA LEU 24 HA LEU 24 -1.339 -3.467 -6.173 175 1HB LEU 24 2HB LEU 24 1.297 -3.344 -6.547 176 2HB LEU 24 1HB LEU 24 1.241 -2.483 -5.009 177 HG LEU 24 HG LEU 24 -0.075 -4.387 -4.055 178 1HD1 LEU 24 1HD1 LEU 24 0.363 -5.400 -6.848 179 2HD1 LEU 24 3HD1 LEU 24 0.279 -6.553 -5.516 180 3HD1 LEU 24 2HD1 LEU 24 -1.086 -5.486 -5.846 181 1HD2 LEU 24 2HD2 LEU 24 2.625 -4.139 -4.373 182 2HD2 LEU 24 1HD2 LEU 24 1.861 -5.425 -3.438 183 3HD2 LEU 24 3HD2 LEU 24 2.348 -5.718 -5.108 184 H ILE 25 H ILE 25 -0.037 -0.228 -5.464 185 HA ILE 25 HA ILE 25 -1.013 -0.007 -2.785 186 HB ILE 25 HB ILE 25 -0.249 1.848 -5.027 187 1HG1 ILE 25 2HG1 ILE 25 1.358 0.618 -3.442 188 2HG1 ILE 25 1HG1 ILE 25 1.585 2.360 -3.589 189 1HG2 ILE 25 3HG2 ILE 25 -1.863 2.546 -2.620 190 2HG2 ILE 25 2HG2 ILE 25 -0.532 3.629 -3.033 191 3HG2 ILE 25 1HG2 ILE 25 -1.814 3.320 -4.204 192 1HD1 ILE 25 1HD1 ILE 25 0.109 2.611 -1.543 193 2HD1 ILE 25 3HD1 ILE 25 0.215 0.861 -1.355 194 3HD1 ILE 25 2HD1 ILE 25 1.671 1.850 -1.260 195 H ASN 26 H ASN 26 -2.470 0.985 -5.911 196 HA ASN 26 HA ASN 26 -4.950 1.935 -4.859 197 1HB ASN 26 2HB ASN 26 -3.764 1.880 -7.261 198 2HB ASN 26 1HB ASN 26 -4.796 0.466 -7.465 199 1HD2 ASN 26 2HD2 ASN 26 -7.648 2.422 -8.073 200 2HD2 ASN 26 1HD2 ASN 26 -6.859 0.926 -8.227 201 H THR 27 H THR 27 -3.751 -1.266 -5.659 202 HA THR 27 HA THR 27 -6.233 -2.714 -5.471 203 HB THR 27 HB THR 27 -3.302 -3.402 -5.149 204 HG1 THR 27 HG1 THR 27 -5.210 -3.748 -7.216 205 1HG2 THR 27 3HG2 THR 27 -5.719 -5.039 -4.714 206 2HG2 THR 27 2HG2 THR 27 -4.524 -5.758 -5.792 207 3HG2 THR 27 1HG2 THR 27 -4.067 -5.296 -4.153 208 H LEU 28 H LEU 28 -3.848 -1.628 -3.107 209 HA LEU 28 HA LEU 28 -4.859 -3.263 -0.914 210 1HB LEU 28 2HB LEU 28 -3.156 -0.749 -1.088 211 2HB LEU 28 1HB LEU 28 -3.414 -1.655 0.399 212 HG LEU 28 HG LEU 28 -2.286 -2.923 -2.106 213 1HD1 LEU 28 1HD1 LEU 28 -1.041 -1.045 -0.289 214 2HD1 LEU 28 3HD1 LEU 28 -0.270 -2.623 -0.137 215 3HD1 LEU 28 2HD1 LEU 28 -0.349 -1.828 -1.709 216 1HD2 LEU 28 3HD2 LEU 28 -3.165 -3.880 0.447 217 2HD2 LEU 28 2HD2 LEU 28 -2.448 -4.804 -0.872 218 3HD2 LEU 28 1HD2 LEU 28 -1.415 -4.079 0.359 219 H GLN 29 H GLN 29 -5.132 0.159 -1.841 220 HA GLN 29 HA GLN 29 -7.002 0.900 0.217 221 1HB GLN 29 2HB GLN 29 -5.412 2.277 -1.304 222 2HB GLN 29 1HB GLN 29 -6.690 2.163 -2.510 223 1HG GLN 29 2HG GLN 29 -8.274 3.255 -1.044 224 2HG GLN 29 1HG GLN 29 -7.137 3.201 0.301 225 1HE2 GLN 29 2HE2 GLN 29 -6.509 6.576 -0.779 226 2HE2 GLN 29 1HE2 GLN 29 -7.432 5.653 0.307 227 H GLN 30 H GLN 30 -7.293 -0.940 -2.641 228 HA GLN 30 HA GLN 30 -10.125 -0.324 -3.175 229 1HB GLN 30 2HB GLN 30 -7.979 -2.148 -4.234 230 2HB GLN 30 1HB GLN 30 -9.659 -2.418 -4.696 231 1HG GLN 30 2HG GLN 30 -8.799 0.390 -4.861 232 2HG GLN 30 1HG GLN 30 -7.957 -0.691 -5.964 233 1HE2 GLN 30 2HE2 GLN 30 -10.801 0.009 -8.039 234 2HE2 GLN 30 1HE2 GLN 30 -9.203 0.481 -7.720 235 H LYS 31 H LYS 31 -8.227 -3.161 -2.133 236 HA LYS 31 HA LYS 31 -10.482 -4.762 -1.360 237 1HB LYS 31 2HB LYS 31 -7.522 -4.710 -1.063 238 2HB LYS 31 1HB LYS 31 -8.394 -5.688 0.117 239 1HG LYS 31 2HG LYS 31 -8.816 -5.903 -2.875 240 2HG LYS 31 1HG LYS 31 -7.725 -6.948 -1.963 241 1HD LYS 31 2HD LYS 31 -9.573 -7.720 -0.570 242 2HD LYS 31 1HD LYS 31 -10.679 -6.617 -1.386 243 1HE LYS 31 2HE LYS 31 -10.969 -8.060 -3.119 244 2HE LYS 31 1HE LYS 31 -9.221 -8.326 -3.276 245 1HZ LYS 31 1HZ LYS 31 -9.486 -9.597 -1.079 246 2HZ LYS 31 3HZ LYS 31 -11.136 -9.657 -1.465 247 3HZ LYS 31 2HZ LYS 31 -9.995 -10.362 -2.508 248 H LEU 32 H LEU 32 -8.882 -2.068 0.066 249 HA LEU 32 HA LEU 32 -9.695 -2.606 2.833 250 1HB LEU 32 2HB LEU 32 -7.671 -1.275 1.803 251 2HB LEU 32 1HB LEU 32 -8.835 0.042 1.678 252 HG LEU 32 HG LEU 32 -9.218 0.043 4.047 253 1HD1 LEU 32 1HD1 LEU 32 -7.695 -2.559 3.958 254 2HD1 LEU 32 3HD1 LEU 32 -7.827 -1.636 5.454 255 3HD1 LEU 32 2HD1 LEU 32 -9.280 -2.238 4.658 256 1HD2 LEU 32 3HD2 LEU 32 -6.326 -0.159 3.217 257 2HD2 LEU 32 2HD2 LEU 32 -7.264 1.287 3.593 258 3HD2 LEU 32 1HD2 LEU 32 -6.763 0.199 4.888 259 H GLU 33 H GLU 33 -10.651 -0.355 0.216 260 HA GLU 33 HA GLU 33 -12.812 0.878 1.671 261 1HB GLU 33 2HB GLU 33 -11.910 2.005 -0.221 262 2HB GLU 33 1HB GLU 33 -12.029 0.566 -1.233 263 1HG GLU 33 2HG GLU 33 -14.454 0.701 -1.242 264 2HG GLU 33 1HG GLU 33 -14.418 2.038 -0.092 265 H ALA 34 H ALA 34 -12.438 -2.180 0.149 266 HA ALA 34 HA ALA 34 -15.345 -2.650 -0.179 267 1HB ALA 34 3HB ALA 34 -12.754 -4.010 -0.852 268 2HB ALA 34 2HB ALA 34 -14.209 -5.000 -0.747 269 3HB ALA 34 1HB ALA 34 -14.130 -3.667 -1.898 270 H VAL 35 H VAL 35 -12.613 -3.456 1.863 271 HA VAL 35 HA VAL 35 -13.874 -5.482 3.476 272 HB VAL 35 HB VAL 35 -11.454 -3.775 3.423 273 1HG1 VAL 35 3HG1 VAL 35 -12.352 -3.338 5.720 274 2HG1 VAL 35 2HG1 VAL 35 -12.302 -5.075 6.022 275 3HG1 VAL 35 1HG1 VAL 35 -10.808 -4.187 5.723 276 1HG2 VAL 35 2HG2 VAL 35 -12.011 -6.668 4.126 277 2HG2 VAL 35 1HG2 VAL 35 -11.435 -6.062 2.573 278 3HG2 VAL 35 3HG2 VAL 35 -10.401 -5.961 3.998 279 H ALA 36 H ALA 36 -13.718 -1.942 3.604 280 HA ALA 36 HA ALA 36 -14.916 -1.683 6.236 281 1HB ALA 36 1HB ALA 36 -13.796 -0.060 4.157 282 2HB ALA 36 3HB ALA 36 -15.393 0.581 4.539 283 3HB ALA 36 2HB ALA 36 -14.181 0.418 5.810 284 H LYS 37 H LYS 37 -16.070 -2.117 2.969 285 HA LYS 37 HA LYS 37 -18.821 -1.291 3.509 286 1HB LYS 37 2HB LYS 37 -17.210 -2.516 1.316 287 2HB LYS 37 1HB LYS 37 -18.955 -2.779 1.263 288 1HG LYS 37 2HG LYS 37 -19.413 -0.577 0.857 289 2HG LYS 37 1HG LYS 37 -18.077 -0.008 1.860 290 1HD LYS 37 2HD LYS 37 -16.945 0.392 -0.047 291 2HD LYS 37 1HD LYS 37 -16.840 -1.355 -0.258 292 1HE LYS 37 2HE LYS 37 -17.996 -0.992 -2.195 293 2HE LYS 37 1HE LYS 37 -19.410 -0.791 -1.139 294 1HZ LYS 37 1HZ LYS 37 -18.619 1.572 -0.835 295 2HZ LYS 37 3HZ LYS 37 -17.576 1.308 -2.147 296 3HZ LYS 37 2HZ LYS 37 -19.258 1.198 -2.365 297 H ARG 38 H ARG 38 -16.980 -4.292 3.589 298 HA ARG 38 HA ARG 38 -19.279 -6.037 3.923 299 1HB ARG 38 2HB ARG 38 -16.362 -6.433 4.673 300 2HB ARG 38 1HB ARG 38 -17.544 -7.696 4.331 301 1HG ARG 38 2HG ARG 38 -17.167 -5.657 2.205 302 2HG ARG 38 1HG ARG 38 -15.818 -6.761 2.471 303 1HD ARG 38 2HD ARG 38 -17.717 -8.605 2.458 304 2HD ARG 38 1HD ARG 38 -18.605 -7.374 1.538 305 HE ARG 38 HE ARG 38 -16.484 -7.268 0.075 306 1HH1 ARG 38 2HH1 ARG 38 -15.770 -9.650 2.176 307 2HH1 ARG 38 1HH1 ARG 38 -15.697 -10.948 1.033 308 1HH2 ARG 38 1HH2 ARG 38 -17.097 -9.104 -1.547 309 2HH2 ARG 38 2HH2 ARG 38 -16.449 -10.639 -1.074 310 H ILE 39 H ILE 39 -16.906 -4.476 6.041 311 HA ILE 39 HA ILE 39 -17.662 -5.551 8.542 312 HB ILE 39 HB ILE 39 -16.569 -2.910 7.562 313 1HG1 ILE 39 2HG1 ILE 39 -15.225 -5.084 7.601 314 2HG1 ILE 39 1HG1 ILE 39 -14.506 -3.724 8.461 315 1HG2 ILE 39 3HG2 ILE 39 -17.172 -3.712 10.421 316 2HG2 ILE 39 2HG2 ILE 39 -16.087 -2.393 9.983 317 3HG2 ILE 39 1HG2 ILE 39 -17.796 -2.309 9.554 318 1HD1 ILE 39 2HD1 ILE 39 -16.311 -5.582 9.964 319 2HD1 ILE 39 1HD1 ILE 39 -14.662 -6.099 9.613 320 3HD1 ILE 39 3HD1 ILE 39 -14.947 -4.632 10.552 321 H GLU 40 H GLU 40 -18.947 -2.759 6.747 322 HA GLU 40 HA GLU 40 -20.927 -1.986 8.675 323 1HB GLU 40 2HB GLU 40 -20.803 -1.770 5.644 324 2HB GLU 40 1HB GLU 40 -21.940 -0.881 6.659 325 1HG GLU 40 2HG GLU 40 -19.295 -0.547 7.723 326 2HG GLU 40 1HG GLU 40 -19.270 -0.160 6.001 327 H ALA 41 H ALA 41 -20.845 -4.377 6.076 328 HA ALA 41 HA ALA 41 -23.611 -5.074 6.011 329 1HB ALA 41 1HB ALA 41 -21.219 -5.866 4.830 330 2HB ALA 41 3HB ALA 41 -21.704 -7.294 5.743 331 3HB ALA 41 2HB ALA 41 -22.792 -6.609 4.535 332 H LEU 42 H LEU 42 -20.974 -6.021 8.162 333 HA LEU 42 HA LEU 42 -22.623 -7.958 9.632 334 1HB LEU 42 2HB LEU 42 -19.877 -6.736 10.051 335 2HB LEU 42 1HB LEU 42 -20.540 -8.014 11.054 336 HG LEU 42 HG LEU 42 -19.515 -9.409 9.583 337 1HD1 LEU 42 1HD1 LEU 42 -21.938 -9.676 8.996 338 2HD1 LEU 42 3HD1 LEU 42 -21.707 -8.522 7.681 339 3HD1 LEU 42 2HD1 LEU 42 -20.856 -10.066 7.659 340 1HD2 LEU 42 3HD2 LEU 42 -19.027 -6.911 8.296 341 2HD2 LEU 42 2HD2 LEU 42 -18.132 -8.420 8.126 342 3HD2 LEU 42 1HD2 LEU 42 -19.494 -8.077 7.059 343 H GLU 43 H GLU 43 -21.828 -4.562 9.783 344 HA GLU 43 HA GLU 43 -22.468 -4.157 12.589 345 1HB GLU 43 2HB GLU 43 -22.405 -2.329 10.164 346 2HB GLU 43 1HB GLU 43 -22.480 -1.774 11.836 347 1HG GLU 43 2HG GLU 43 -20.378 -3.616 11.794 348 2HG GLU 43 1HG GLU 43 -20.190 -2.683 10.310 349 H ASN 44 H ASN 44 -24.272 -4.595 9.694 350 HA ASN 44 HA ASN 44 -26.704 -3.217 10.481 351 1HB ASN 44 2HB ASN 44 -25.887 -5.286 8.443 352 2HB ASN 44 1HB ASN 44 -27.584 -4.848 8.637 353 1HD2 ASN 44 2HD2 ASN 44 -27.206 -1.637 7.158 354 2HD2 ASN 44 1HD2 ASN 44 -28.226 -2.648 8.062 355 H LYS 45 H LYS 45 -25.267 -6.311 11.150 356 HA LYS 45 HA LYS 45 -27.798 -7.244 12.453 357 1HB LYS 45 2HB LYS 45 -25.361 -8.686 11.362 358 2HB LYS 45 1HB LYS 45 -26.667 -9.493 12.227 359 1HG LYS 45 2HG LYS 45 -27.158 -9.718 9.889 360 2HG LYS 45 1HG LYS 45 -28.267 -8.501 10.522 361 1HD LYS 45 2HD LYS 45 -27.300 -6.812 9.333 362 2HD LYS 45 1HD LYS 45 -25.672 -7.457 9.551 363 1HE LYS 45 2HE LYS 45 -25.776 -8.202 7.411 364 2HE LYS 45 1HE LYS 45 -27.037 -9.338 7.932 365 1HZ LYS 45 1HZ LYS 45 -28.492 -7.181 7.848 366 2HZ LYS 45 3HZ LYS 45 -27.320 -6.676 6.730 367 3HZ LYS 45 2HZ LYS 45 -28.215 -8.091 6.440 368 H ILE 46 H ILE 46 -24.623 -6.076 13.039 369 HA ILE 46 HA ILE 46 -24.550 -7.320 15.759 370 HB ILE 46 HB ILE 46 -22.511 -5.848 14.058 371 1HG1 ILE 46 2HG1 ILE 46 -22.665 -8.034 13.194 372 2HG1 ILE 46 1HG1 ILE 46 -21.362 -8.173 14.370 373 1HG2 ILE 46 2HG2 ILE 46 -22.595 -6.403 16.924 374 2HG2 ILE 46 1HG2 ILE 46 -21.171 -7.096 16.148 375 3HG2 ILE 46 3HG2 ILE 46 -21.496 -5.367 16.013 376 1HD1 ILE 46 2HD1 ILE 46 -23.314 -8.777 16.031 377 2HD1 ILE 46 1HD1 ILE 46 -24.185 -9.175 14.549 378 3HD1 ILE 46 3HD1 ILE 46 -22.678 -10.006 14.937 379 H ILE 47 HN ILE 47 -25.387 -4.438 14.124 380 HA ILE 47 HA ILE 47 -25.137 -2.869 16.672 381 HB ILE 47 HB ILE 47 -23.990 -2.391 14.227 382 1HG1 ILE 47 2HG1 ILE 47 -23.505 -1.306 16.418 383 2HG1 ILE 47 1HG1 ILE 47 -23.545 -0.150 15.087 384 1HG2 ILE 47 1HG2 ILE 47 -26.293 -1.968 13.264 385 2HG2 ILE 47 3HG2 ILE 47 -26.416 -0.578 14.342 386 3HG2 ILE 47 2HG2 ILE 47 -25.171 -0.618 13.095 387 1HD1 ILE 47 3HD1 ILE 47 -25.983 0.270 15.683 388 2HD1 ILE 47 2HD1 ILE 47 -25.698 -0.666 17.151 389 3HD1 ILE 47 1HD1 ILE 47 -24.809 0.833 16.871 390 1H GLY 1 3H GLY 1 27.811 10.898 -20.882 391 2H GLY 1 2H GLY 1 28.884 9.665 -20.417 392 3H GLY 1 1H GLY 1 28.767 10.123 -22.049 393 1HA GLY 1 2HA GLY 1 27.471 8.279 -22.132 394 2HA GLY 1 1HA GLY 1 26.985 8.454 -20.445 395 H SER 2 H SER 2 25.757 10.683 -20.100 396 HA SER 2 HA SER 2 23.726 10.908 -22.300 397 1HB SER 2 2HB SER 2 23.607 10.507 -19.371 398 2HB SER 2 1HB SER 2 22.457 11.684 -20.001 399 HG SER 2 HG SER 2 22.838 9.007 -20.877 400 H HIS 3 H HIS 3 22.595 13.086 -22.269 401 HA HIS 3 HA HIS 3 23.929 15.327 -20.942 402 1HB HIS 3 2HB HIS 3 24.859 16.287 -22.989 403 2HB HIS 3 1HB HIS 3 25.487 14.652 -22.785 404 HD1 HIS 3 HD1 HIS 3 24.280 16.673 -25.377 405 HD2 HIS 3 HD2 HIS 3 23.387 12.773 -24.206 406 HE1 HIS 3 HE1 HIS 3 23.241 15.541 -27.390 407 H MET 4 H MET 4 21.247 14.610 -20.874 408 HA MET 4 HA MET 4 19.693 15.978 -22.929 409 1HB MET 4 2HB MET 4 19.330 14.232 -20.651 410 2HB MET 4 1HB MET 4 18.181 15.568 -20.571 411 1HG MET 4 2HG MET 4 16.932 14.498 -22.109 412 2HG MET 4 1HG MET 4 18.225 14.783 -23.274 413 1HE MET 4 3HE MET 4 16.448 12.565 -20.882 414 2HE MET 4 2HE MET 4 17.329 11.042 -20.811 415 3HE MET 4 1HE MET 4 17.979 12.467 -20.001 416 H GLU 5 H GLU 5 17.858 17.497 -21.679 417 HA GLU 5 HA GLU 5 19.402 19.864 -20.828 418 1HB GLU 5 2HB GLU 5 16.778 19.178 -21.958 419 2HB GLU 5 1HB GLU 5 16.691 20.450 -20.740 420 1HG GLU 5 2HG GLU 5 17.642 21.953 -22.125 421 2HG GLU 5 1HG GLU 5 18.959 20.847 -22.519 422 H GLU 6 H GLU 6 16.258 18.800 -19.551 423 HA GLU 6 HA GLU 6 17.440 18.780 -16.794 424 1HB GLU 6 2HB GLU 6 15.305 20.435 -18.033 425 2HB GLU 6 1HB GLU 6 14.972 19.842 -16.406 426 1HG GLU 6 2HG GLU 6 16.825 20.950 -15.483 427 2HG GLU 6 1HG GLU 6 17.621 21.118 -17.049 428 H ASP 7 H ASP 7 15.951 17.665 -15.220 429 HA ASP 7 HA ASP 7 14.755 15.715 -14.613 430 1HB ASP 7 2HB ASP 7 12.966 17.195 -15.403 431 2HB ASP 7 1HB ASP 7 13.248 16.679 -17.066 432 HA PRO 8 HA PRO 8 16.781 13.424 -18.193 433 1HB PRO 8 2HB PRO 8 18.991 12.533 -16.846 434 2HB PRO 8 1HB PRO 8 18.952 14.073 -17.726 435 1HG PRO 8 2HG PRO 8 18.704 13.554 -14.809 436 2HG PRO 8 1HG PRO 8 19.512 14.880 -15.657 437 1HD PRO 8 2HD PRO 8 17.056 15.099 -14.470 438 2HD PRO 8 1HD PRO 8 17.596 16.110 -15.829 439 H CYS 9 H CYS 9 17.255 12.378 -14.791 440 HA CYS 9 HA CYS 9 15.872 9.809 -15.493 441 1HB CYS 9 2HB CYS 9 18.309 10.548 -13.917 442 2HB CYS 9 1HB CYS 9 17.387 9.133 -13.405 443 H GLU 10 H GLU 10 14.498 12.200 -14.533 444 HA GLU 10 HA GLU 10 13.082 12.924 -12.779 445 1HB GLU 10 2HB GLU 10 12.958 9.907 -12.864 446 2HB GLU 10 1HB GLU 10 11.888 10.846 -11.820 447 1HG GLU 10 2HG GLU 10 10.594 11.471 -13.559 448 2HG GLU 10 1HG GLU 10 11.998 11.932 -14.524 449 H CYS 11 H CYS 11 15.839 12.851 -11.932 450 HA CYS 11 HA CYS 11 16.509 11.435 -9.651 451 1HB CYS 11 2HB CYS 11 16.981 14.185 -10.694 452 2HB CYS 11 1HB CYS 11 17.456 13.876 -9.021 453 H LYS 12 H LYS 12 14.096 13.971 -9.960 454 HA LYS 12 HA LYS 12 13.506 13.697 -7.030 455 1HB LYS 12 2HB LYS 12 13.326 16.019 -8.966 456 2HB LYS 12 1HB LYS 12 12.601 16.063 -7.358 457 1HG LYS 12 2HG LYS 12 14.595 16.547 -6.437 458 2HG LYS 12 1HG LYS 12 15.302 15.095 -7.146 459 1HD LYS 12 2HD LYS 12 15.809 16.262 -9.201 460 2HD LYS 12 1HD LYS 12 14.921 17.688 -8.664 461 1HE LYS 12 2HE LYS 12 17.237 16.632 -7.036 462 2HE LYS 12 1HE LYS 12 17.506 17.732 -8.402 463 1HZ LYS 12 3HZ LYS 12 15.476 18.953 -7.268 464 2HZ LYS 12 2HZ LYS 12 16.112 18.214 -5.877 465 3HZ LYS 12 1HZ LYS 12 17.075 19.267 -6.800 466 H SER 13 H SER 13 12.350 13.138 -10.178 467 HA SER 13 HA SER 13 9.492 13.530 -9.609 468 1HB SER 13 2HB SER 13 11.268 12.671 -11.844 469 2HB SER 13 1HB SER 13 9.604 12.104 -11.904 470 HG SER 13 HG SER 13 9.585 14.068 -12.873 471 H ILE 14 H ILE 14 11.834 10.950 -9.461 472 HA ILE 14 HA ILE 14 9.869 8.775 -9.224 473 HB ILE 14 HB ILE 14 12.864 9.097 -8.955 474 1HG1 ILE 14 2HG1 ILE 14 11.444 7.402 -10.971 475 2HG1 ILE 14 1HG1 ILE 14 11.452 9.150 -11.190 476 1HG2 ILE 14 3HG2 ILE 14 11.192 6.970 -7.959 477 2HG2 ILE 14 2HG2 ILE 14 12.189 6.367 -9.282 478 3HG2 ILE 14 1HG2 ILE 14 12.947 7.123 -7.880 479 1HD1 ILE 14 1HD1 ILE 14 13.923 9.153 -11.006 480 2HD1 ILE 14 3HD1 ILE 14 13.901 7.396 -10.844 481 3HD1 ILE 14 2HD1 ILE 14 13.371 8.149 -12.349 482 H VAL 15 H VAL 15 11.943 10.722 -7.158 483 HA VAL 15 HA VAL 15 11.238 9.212 -4.726 484 HB VAL 15 HB VAL 15 12.562 11.888 -4.620 485 1HG1 VAL 15 1HG1 VAL 15 12.844 9.172 -3.369 486 2HG1 VAL 15 3HG1 VAL 15 14.202 10.297 -3.308 487 3HG1 VAL 15 2HG1 VAL 15 12.654 10.744 -2.590 488 1HG2 VAL 15 2HG2 VAL 15 13.521 9.625 -6.317 489 2HG2 VAL 15 1HG2 VAL 15 13.801 11.356 -6.494 490 3HG2 VAL 15 3HG2 VAL 15 14.721 10.433 -5.309 491 H LYS 16 H LYS 16 10.149 11.893 -6.583 492 HA LYS 16 HA LYS 16 8.684 13.284 -4.480 493 1HB LYS 16 2HB LYS 16 9.276 14.531 -6.422 494 2HB LYS 16 1HB LYS 16 8.732 13.251 -7.507 495 1HG LYS 16 2HG LYS 16 6.622 14.235 -5.723 496 2HG LYS 16 1HG LYS 16 7.252 15.473 -6.811 497 1HD LYS 16 2HD LYS 16 6.713 12.800 -8.003 498 2HD LYS 16 1HD LYS 16 5.306 13.762 -7.550 499 1HE LYS 16 2HE LYS 16 5.974 15.580 -8.972 500 2HE LYS 16 1HE LYS 16 7.579 14.867 -9.232 501 1HZ LYS 16 3HZ LYS 16 6.102 12.823 -9.946 502 2HZ LYS 16 2HZ LYS 16 4.987 14.049 -10.318 503 3HZ LYS 16 1HZ LYS 16 6.519 14.039 -11.053 504 H PHE 17 H PHE 17 7.930 10.942 -7.058 505 HA PHE 17 HA PHE 17 5.131 10.648 -6.356 506 1HB PHE 17 2HB PHE 17 5.654 9.925 -8.517 507 2HB PHE 17 1HB PHE 17 7.207 9.253 -8.021 508 HD1 PHE 17 HD1 PHE 17 3.522 8.722 -7.833 509 HD2 PHE 17 HD2 PHE 17 7.423 6.971 -7.429 510 HE1 PHE 17 HE1 PHE 17 2.494 6.477 -7.632 511 HE2 PHE 17 HE2 PHE 17 6.397 4.725 -7.230 512 HZ PHE 17 HZ PHE 17 3.929 4.475 -7.330 513 H GLN 18 H GLN 18 8.170 9.156 -5.356 514 HA GLN 18 HA GLN 18 7.198 6.899 -3.939 515 1HB GLN 18 2HB GLN 18 9.565 8.721 -3.850 516 2HB GLN 18 1HB GLN 18 9.340 7.620 -2.490 517 1HG GLN 18 2HG GLN 18 9.549 5.710 -3.830 518 2HG GLN 18 1HG GLN 18 9.144 6.584 -5.308 519 1HE2 GLN 18 2HE2 GLN 18 12.913 7.305 -3.805 520 2HE2 GLN 18 1HE2 GLN 18 11.606 7.187 -2.727 521 H THR 19 H THR 19 7.559 10.288 -2.927 522 HA THR 19 HA THR 19 6.849 10.004 -0.184 523 HB THR 19 HB THR 19 6.526 12.190 -2.252 524 HG1 THR 19 HG1 THR 19 8.607 11.442 -1.323 525 1HG2 THR 19 2HG2 THR 19 5.953 12.318 0.722 526 2HG2 THR 19 1HG2 THR 19 6.034 13.712 -0.354 527 3HG2 THR 19 3HG2 THR 19 4.770 12.502 -0.573 528 H LYS 20 H LYS 20 4.860 10.164 -3.111 529 HA LYS 20 HA LYS 20 2.321 10.508 -1.774 530 1HB LYS 20 2HB LYS 20 3.266 9.461 -4.452 531 2HB LYS 20 1HB LYS 20 1.553 9.474 -4.032 532 1HG LYS 20 2HG LYS 20 1.752 11.924 -3.538 533 2HG LYS 20 1HG LYS 20 3.410 11.869 -4.140 534 1HD LYS 20 2HD LYS 20 2.111 12.565 -6.003 535 2HD LYS 20 1HD LYS 20 2.422 10.853 -6.284 536 1HE LYS 20 2HE LYS 20 0.172 10.592 -6.469 537 2HE LYS 20 1HE LYS 20 0.076 10.916 -4.726 538 1HZ LYS 20 1HZ LYS 20 0.338 13.363 -5.485 539 2HZ LYS 20 3HZ LYS 20 -0.224 12.791 -6.979 540 3HZ LYS 20 2HZ LYS 20 -1.188 12.624 -5.589 541 H VAL 21 H VAL 21 4.376 7.805 -2.619 542 HA VAL 21 HA VAL 21 2.456 5.714 -1.880 543 HB VAL 21 HB VAL 21 5.354 5.979 -2.644 544 1HG1 VAL 21 3HG1 VAL 21 4.003 3.448 -1.663 545 2HG1 VAL 21 2HG1 VAL 21 5.587 3.520 -2.435 546 3HG1 VAL 21 1HG1 VAL 21 5.334 4.289 -0.868 547 1HG2 VAL 21 1HG2 VAL 21 2.815 5.167 -3.856 548 2HG2 VAL 21 3HG2 VAL 21 4.309 5.695 -4.632 549 3HG2 VAL 21 2HG2 VAL 21 4.111 4.012 -4.147 550 H GLU 22 H GLU 22 4.720 7.768 -0.265 551 HA GLU 22 HA GLU 22 5.228 6.079 2.047 552 1HB GLU 22 2HB GLU 22 5.675 8.894 1.143 553 2HB GLU 22 1HB GLU 22 5.799 8.572 2.871 554 1HG GLU 22 2HG GLU 22 7.228 6.480 1.857 555 2HG GLU 22 1HG GLU 22 7.579 7.733 0.665 556 H GLU 23 H GLU 23 3.151 8.942 1.471 557 HA GLU 23 HA GLU 23 1.864 8.739 4.076 558 1HB GLU 23 2HB GLU 23 0.518 10.583 3.198 559 2HB GLU 23 1HB GLU 23 2.202 10.833 2.737 560 1HG GLU 23 2HG GLU 23 1.655 9.687 0.535 561 2HG GLU 23 1HG GLU 23 -0.043 9.772 1.004 562 H LEU 24 H LEU 24 0.998 7.815 0.743 563 HA LEU 24 HA LEU 24 -1.673 6.940 1.339 564 1HB LEU 24 2HB LEU 24 -0.288 7.388 -0.889 565 2HB LEU 24 1HB LEU 24 0.017 5.654 -0.778 566 HG LEU 24 HG LEU 24 -2.447 5.283 -0.577 567 1HD1 LEU 24 1HD1 LEU 24 -2.428 8.282 -0.913 568 2HD1 LEU 24 3HD1 LEU 24 -3.835 7.319 -1.361 569 3HD1 LEU 24 2HD1 LEU 24 -3.264 7.321 0.306 570 1HD2 LEU 24 2HD2 LEU 24 -0.994 5.594 -2.820 571 2HD2 LEU 24 1HD2 LEU 24 -2.728 5.271 -2.867 572 3HD2 LEU 24 3HD2 LEU 24 -2.132 6.922 -3.053 573 H ILE 25 H ILE 25 1.489 5.282 1.369 574 HA ILE 25 HA ILE 25 0.529 2.633 1.842 575 HB ILE 25 HB ILE 25 3.045 4.199 2.319 576 1HG1 ILE 25 2HG1 ILE 25 2.393 3.182 0.101 577 2HG1 ILE 25 1HG1 ILE 25 3.942 2.614 0.719 578 1HG2 ILE 25 3HG2 ILE 25 2.378 1.514 3.518 579 2HG2 ILE 25 2HG2 ILE 25 4.037 1.912 3.070 580 3HG2 ILE 25 1HG2 ILE 25 3.189 2.889 4.268 581 1HD1 ILE 25 1HD1 ILE 25 2.375 0.752 1.828 582 2HD1 ILE 25 3HD1 ILE 25 1.356 1.164 0.452 583 3HD1 ILE 25 2HD1 ILE 25 3.002 0.593 0.192 584 H ASN 26 H ASN 26 1.491 5.227 4.133 585 HA ASN 26 HA ASN 26 0.914 3.770 6.536 586 1HB ASN 26 2HB ASN 26 2.039 6.131 5.935 587 2HB ASN 26 1HB ASN 26 0.418 6.714 6.311 588 1HD2 ASN 26 2HD2 ASN 26 1.016 6.544 9.763 589 2HD2 ASN 26 1HD2 ASN 26 0.193 7.275 8.471 590 H THR 27 H THR 27 -1.044 5.636 4.299 591 HA THR 27 HA THR 27 -3.456 5.789 5.863 592 HB THR 27 HB THR 27 -2.797 5.857 2.906 593 HG1 THR 27 HG1 THR 27 -3.281 7.750 4.938 594 1HG2 THR 27 3HG2 THR 27 -5.418 5.984 4.331 595 2HG2 THR 27 2HG2 THR 27 -5.168 7.064 2.959 596 3HG2 THR 27 1HG2 THR 27 -5.035 5.319 2.743 597 H LEU 28 H LEU 28 -2.080 3.328 3.730 598 HA LEU 28 HA LEU 28 -4.498 1.722 3.528 599 1HB LEU 28 2HB LEU 28 -1.535 1.177 3.118 600 2HB LEU 28 1HB LEU 28 -2.804 0.032 2.695 601 HG LEU 28 HG LEU 28 -2.719 2.856 1.618 602 1HD1 LEU 28 1HD1 LEU 28 -1.095 0.537 0.920 603 2HD1 LEU 28 3HD1 LEU 28 -2.085 1.056 -0.443 604 3HD1 LEU 28 2HD1 LEU 28 -0.979 2.193 0.328 605 1HD2 LEU 28 3HD2 LEU 28 -4.582 0.648 1.511 606 2HD2 LEU 28 2HD2 LEU 28 -4.760 2.274 0.852 607 3HD2 LEU 28 1HD2 LEU 28 -3.996 1.012 -0.113 608 H GLN 29 H GLN 29 -1.495 1.507 5.410 609 HA GLN 29 HA GLN 29 -2.267 -0.782 6.981 610 1HB GLN 29 2HB GLN 29 0.024 0.321 6.444 611 2HB GLN 29 1HB GLN 29 -0.351 1.414 7.771 612 1HG GLN 29 2HG GLN 29 -0.519 -0.425 9.334 613 2HG GLN 29 1HG GLN 29 -0.379 -1.603 8.028 614 1HE2 GLN 29 2HE2 GLN 29 3.066 -1.614 8.996 615 2HE2 GLN 29 1HE2 GLN 29 1.594 -2.446 9.156 616 H GLN 30 H GLN 30 -3.217 2.496 7.006 617 HA GLN 30 HA GLN 30 -3.865 2.659 9.874 618 1HB GLN 30 2HB GLN 30 -4.167 4.344 7.398 619 2HB GLN 30 1HB GLN 30 -5.015 4.792 8.877 620 1HG GLN 30 2HG GLN 30 -2.195 4.077 9.289 621 2HG GLN 30 1HG GLN 30 -2.438 5.503 8.285 622 1HE2 GLN 30 2HE2 GLN 30 -2.583 7.177 11.448 623 2HE2 GLN 30 1HE2 GLN 30 -1.573 6.821 10.132 624 H LYS 31 H LYS 31 -5.670 2.634 6.791 625 HA LYS 31 HA LYS 31 -8.272 2.304 7.973 626 1HB LYS 31 2HB LYS 31 -6.946 2.079 5.310 627 2HB LYS 31 1HB LYS 31 -8.513 1.286 5.478 628 1HG LYS 31 2HG LYS 31 -7.995 4.171 6.247 629 2HG LYS 31 1HG LYS 31 -8.658 3.675 4.689 630 1HD LYS 31 2HD LYS 31 -10.552 2.601 5.806 631 2HD LYS 31 1HD LYS 31 -9.881 3.016 7.382 632 1HE LYS 31 2HE LYS 31 -10.713 5.131 7.272 633 2HE LYS 31 1HE LYS 31 -10.111 5.350 5.616 634 1HZ LYS 31 1HZ LYS 31 -11.940 3.717 4.978 635 2HZ LYS 31 3HZ LYS 31 -12.612 4.040 6.501 636 3HZ LYS 31 2HZ LYS 31 -12.420 5.298 5.375 637 H LEU 32 H LEU 32 -5.613 0.185 7.398 638 HA LEU 32 HA LEU 32 -7.136 -2.316 7.408 639 1HB LEU 32 2HB LEU 32 -4.821 -1.647 6.359 640 2HB LEU 32 1HB LEU 32 -4.197 -1.978 7.973 641 HG LEU 32 HG LEU 32 -4.959 -4.256 7.893 642 1HD1 LEU 32 1HD1 LEU 32 -6.444 -3.315 5.440 643 2HD1 LEU 32 3HD1 LEU 32 -6.097 -5.024 5.696 644 3HD1 LEU 32 2HD1 LEU 32 -7.084 -4.141 6.861 645 1HD2 LEU 32 3HD2 LEU 32 -3.601 -3.270 5.383 646 2HD2 LEU 32 2HD2 LEU 32 -2.884 -4.088 6.772 647 3HD2 LEU 32 1HD2 LEU 32 -3.894 -4.990 5.644 648 H GLU 33 H GLU 33 -5.008 -0.562 9.688 649 HA GLU 33 HA GLU 33 -5.289 -2.440 11.856 650 1HB GLU 33 2HB GLU 33 -3.449 -0.921 11.855 651 2HB GLU 33 1HB GLU 33 -4.498 0.468 11.574 652 1HG GLU 33 2HG GLU 33 -5.425 0.308 13.795 653 2HG GLU 33 1HG GLU 33 -4.602 -1.226 14.081 654 H ALA 34 H ALA 34 -7.353 -0.017 10.544 655 HA ALA 34 HA ALA 34 -8.986 0.251 13.002 656 1HB ALA 34 3HB ALA 34 -8.933 1.444 10.225 657 2HB ALA 34 2HB ALA 34 -10.340 1.669 11.263 658 3HB ALA 34 1HB ALA 34 -8.762 2.269 11.775 659 H VAL 35 H VAL 35 -8.953 -1.282 9.850 660 HA VAL 35 HA VAL 35 -11.670 -2.237 9.816 661 HB VAL 35 HB VAL 35 -9.093 -2.605 8.404 662 1HG1 VAL 35 3HG1 VAL 35 -9.671 -4.958 8.969 663 2HG1 VAL 35 2HG1 VAL 35 -11.241 -4.729 8.198 664 3HG1 VAL 35 1HG1 VAL 35 -9.765 -4.637 7.237 665 1HG2 VAL 35 1HG2 VAL 35 -10.886 -1.106 7.618 666 2HG2 VAL 35 3HG2 VAL 35 -10.573 -2.384 6.443 667 3HG2 VAL 35 2HG2 VAL 35 -11.983 -2.482 7.499 668 H ALA 36 H ALA 36 -8.607 -3.474 11.106 669 HA ALA 36 HA ALA 36 -9.604 -6.093 11.834 670 1HB ALA 36 1HB ALA 36 -7.187 -4.547 11.896 671 2HB ALA 36 3HB ALA 36 -7.456 -5.209 13.508 672 3HB ALA 36 2HB ALA 36 -7.366 -6.288 12.116 673 H LYS 37 H LYS 37 -9.595 -2.907 13.308 674 HA LYS 37 HA LYS 37 -10.312 -3.814 15.984 675 1HB LYS 37 2HB LYS 37 -10.039 -1.274 14.450 676 2HB LYS 37 1HB LYS 37 -11.075 -1.220 15.877 677 1HG LYS 37 2HG LYS 37 -9.329 -1.501 17.320 678 2HG LYS 37 1HG LYS 37 -8.490 -2.618 16.242 679 1HD LYS 37 2HD LYS 37 -7.099 -0.927 15.710 680 2HD LYS 37 1HD LYS 37 -8.459 -0.158 14.892 681 1HE LYS 37 2HE LYS 37 -8.152 1.537 16.389 682 2HE LYS 37 1HE LYS 37 -8.923 0.452 17.563 683 1HZ LYS 37 1HZ LYS 37 -6.684 -0.571 17.885 684 2HZ LYS 37 3HZ LYS 37 -6.026 0.696 16.971 685 3HZ LYS 37 2HZ LYS 37 -6.807 1.029 18.442 686 H ARG 38 H ARG 38 -12.072 -2.819 13.087 687 HA ARG 38 HA ARG 38 -14.679 -2.718 14.369 688 1HB ARG 38 2HB ARG 38 -13.939 -3.131 11.455 689 2HB ARG 38 1HB ARG 38 -15.441 -2.455 12.078 690 1HG ARG 38 2HG ARG 38 -12.978 -1.090 12.984 691 2HG ARG 38 1HG ARG 38 -13.337 -0.937 11.265 692 1HD ARG 38 2HD ARG 38 -15.793 -0.430 12.183 693 2HD ARG 38 1HD ARG 38 -14.878 0.086 13.615 694 HE ARG 38 HE ARG 38 -13.455 1.411 11.881 695 1HH1 ARG 38 2HH1 ARG 38 -15.725 0.332 9.920 696 2HH1 ARG 38 1HH1 ARG 38 -16.560 1.823 9.641 697 1HH2 ARG 38 1HH2 ARG 38 -14.975 3.498 12.232 698 2HH2 ARG 38 2HH2 ARG 38 -16.131 3.620 10.947 699 H ILE 39 H ILE 39 -12.823 -5.094 12.524 700 HA ILE 39 HA ILE 39 -14.764 -7.135 12.244 701 HB ILE 39 HB ILE 39 -11.760 -7.044 12.581 702 1HG1 ILE 39 2HG1 ILE 39 -13.029 -6.260 10.478 703 2HG1 ILE 39 1HG1 ILE 39 -11.724 -7.420 10.232 704 1HG2 ILE 39 3HG2 ILE 39 -13.489 -9.494 12.111 705 2HG2 ILE 39 2HG2 ILE 39 -11.735 -9.453 11.924 706 3HG2 ILE 39 1HG2 ILE 39 -12.459 -9.193 13.511 707 1HD1 ILE 39 2HD1 ILE 39 -14.503 -8.441 10.701 708 2HD1 ILE 39 1HD1 ILE 39 -14.079 -7.814 9.110 709 3HD1 ILE 39 3HD1 ILE 39 -13.184 -9.174 9.788 710 H GLU 40 H GLU 40 -12.491 -6.408 14.880 711 HA GLU 40 HA GLU 40 -13.242 -8.560 16.615 712 1HB GLU 40 2HB GLU 40 -12.210 -5.750 17.153 713 2HB GLU 40 1HB GLU 40 -12.222 -7.054 18.341 714 1HG GLU 40 2HG GLU 40 -11.022 -8.009 15.908 715 2HG GLU 40 1HG GLU 40 -10.229 -6.509 16.397 716 H ALA 41 H ALA 41 -14.557 -5.336 16.012 717 HA ALA 41 HA ALA 41 -16.394 -5.178 18.195 718 1HB ALA 41 1HB ALA 41 -15.661 -3.696 15.961 719 2HB ALA 41 3HB ALA 41 -17.337 -4.126 15.622 720 3HB ALA 41 2HB ALA 41 -16.932 -3.255 17.101 721 H LEU 42 H LEU 42 -16.548 -6.810 15.068 722 HA LEU 42 HA LEU 42 -19.344 -7.649 15.439 723 1HB LEU 42 2HB LEU 42 -17.145 -8.290 13.447 724 2HB LEU 42 1HB LEU 42 -18.780 -8.921 13.319 725 HG LEU 42 HG LEU 42 -19.183 -7.067 12.073 726 1HD1 LEU 42 1HD1 LEU 42 -20.379 -6.495 14.164 727 2HD1 LEU 42 3HD1 LEU 42 -18.944 -5.651 14.745 728 3HD1 LEU 42 2HD1 LEU 42 -19.808 -5.049 13.330 729 1HD2 LEU 42 3HD2 LEU 42 -16.502 -6.540 12.895 730 2HD2 LEU 42 2HD2 LEU 42 -17.353 -5.918 11.483 731 3HD2 LEU 42 1HD2 LEU 42 -17.417 -5.036 13.009 732 H GLU 43 H GLU 43 -16.132 -8.837 16.125 733 HA GLU 43 HA GLU 43 -16.826 -11.647 16.368 734 1HB GLU 43 2HB GLU 43 -14.592 -9.932 17.502 735 2HB GLU 43 1HB GLU 43 -14.601 -11.695 17.505 736 1HG GLU 43 2HG GLU 43 -15.216 -11.031 14.880 737 2HG GLU 43 1HG GLU 43 -13.983 -9.856 15.337 738 H ASN 44 H ASN 44 -17.288 -8.840 18.283 739 HA ASN 44 HA ASN 44 -17.421 -10.126 20.891 740 1HB ASN 44 2HB ASN 44 -18.242 -7.498 19.657 741 2HB ASN 44 1HB ASN 44 -18.707 -7.884 21.315 742 1HD2 ASN 44 2HD2 ASN 44 -15.417 -7.531 22.610 743 2HD2 ASN 44 1HD2 ASN 44 -16.989 -8.090 22.921 744 H LYS 45 H LYS 45 -19.568 -9.702 18.179 745 HA LYS 45 HA LYS 45 -21.869 -10.739 19.797 746 1HB LYS 45 2HB LYS 45 -21.646 -9.142 17.227 747 2HB LYS 45 1HB LYS 45 -23.172 -9.799 17.820 748 1HG LYS 45 2HG LYS 45 -23.035 -7.536 18.620 749 2HG LYS 45 1HG LYS 45 -22.725 -8.586 20.003 750 1HD LYS 45 2HD LYS 45 -20.552 -7.927 20.182 751 2HD LYS 45 1HD LYS 45 -20.330 -7.850 18.433 752 1HE LYS 45 2HE LYS 45 -20.672 -5.609 18.444 753 2HE LYS 45 1HE LYS 45 -22.213 -5.813 19.301 754 1HZ LYS 45 3HZ LYS 45 -19.553 -6.009 20.608 755 2HZ LYS 45 2HZ LYS 45 -20.497 -4.596 20.601 756 3HZ LYS 45 1HZ LYS 45 -21.069 -6.001 21.368 757 H ILE 46 H ILE 46 -19.562 -11.570 17.404 758 HA ILE 46 HA ILE 46 -21.300 -13.748 16.315 759 HB ILE 46 HB ILE 46 -18.668 -12.510 15.445 760 1HG1 ILE 46 2HG1 ILE 46 -20.345 -11.011 14.783 761 2HG1 ILE 46 1HG1 ILE 46 -20.203 -12.052 13.372 762 1HG2 ILE 46 2HG2 ILE 46 -20.001 -15.032 14.700 763 2HG2 ILE 46 1HG2 ILE 46 -19.543 -14.014 13.334 764 3HG2 ILE 46 3HG2 ILE 46 -18.320 -14.539 14.491 765 1HD1 ILE 46 2HD1 ILE 46 -22.066 -13.473 14.515 766 2HD1 ILE 46 1HD1 ILE 46 -22.356 -12.022 15.476 767 3HD1 ILE 46 3HD1 ILE 46 -22.523 -11.965 13.722 768 H ILE 47 HN ILE 47 -18.726 -13.132 18.505 769 HA ILE 47 HA ILE 47 -18.021 -16.049 18.511 770 HB ILE 47 HB ILE 47 -16.419 -13.866 18.049 771 1HG1 ILE 47 2HG1 ILE 47 -15.938 -16.284 17.663 772 2HG1 ILE 47 1HG1 ILE 47 -14.564 -15.414 18.349 773 1HG2 ILE 47 1HG2 ILE 47 -16.743 -13.189 20.477 774 2HG2 ILE 47 3HG2 ILE 47 -15.881 -14.660 20.921 775 3HG2 ILE 47 2HG2 ILE 47 -15.065 -13.412 19.982 776 1HD1 ILE 47 3HD1 ILE 47 -15.299 -16.193 20.626 777 2HD1 ILE 47 2HD1 ILE 47 -16.519 -17.192 19.835 778 3HD1 ILE 47 1HD1 ILE 47 -14.806 -17.503 19.552 779 1H GLY 1 3H GLY 1 28.025 18.494 -15.537 780 2H GLY 1 2H GLY 1 27.186 17.480 -16.611 781 3H GLY 1 1H GLY 1 27.588 19.066 -17.073 782 1HA GLY 1 2HA GLY 1 25.783 19.927 -16.128 783 2HA GLY 1 1HA GLY 1 25.213 18.262 -15.998 784 H SER 2 H SER 2 26.434 17.080 -14.039 785 HA SER 2 HA SER 2 26.204 18.925 -11.682 786 1HB SER 2 2HB SER 2 25.183 16.224 -12.360 787 2HB SER 2 1HB SER 2 25.756 16.424 -10.708 788 HG SER 2 HG SER 2 24.104 18.378 -11.864 789 H HIS 3 H HIS 3 27.539 18.157 -9.773 790 HA HIS 3 HA HIS 3 29.760 16.325 -10.244 791 1HB HIS 3 2HB HIS 3 31.505 18.031 -10.307 792 2HB HIS 3 1HB HIS 3 30.342 18.358 -11.590 793 HD1 HIS 3 HD1 HIS 3 32.136 20.107 -9.100 794 HD2 HIS 3 HD2 HIS 3 28.171 20.247 -10.382 795 HE1 HIS 3 HE1 HIS 3 31.219 22.349 -8.357 796 H MET 4 H MET 4 27.849 16.421 -8.200 797 HA MET 4 HA MET 4 28.810 17.858 -5.861 798 1HB MET 4 2HB MET 4 26.599 16.214 -6.710 799 2HB MET 4 1HB MET 4 27.194 15.630 -5.155 800 1HG MET 4 2HG MET 4 26.108 17.332 -4.162 801 2HG MET 4 1HG MET 4 27.200 18.449 -4.980 802 1HE MET 4 3HE MET 4 24.073 16.562 -4.791 803 2HE MET 4 2HE MET 4 22.982 17.155 -6.041 804 3HE MET 4 1HE MET 4 24.270 16.030 -6.467 805 H GLU 5 H GLU 5 28.899 16.031 -3.825 806 HA GLU 5 HA GLU 5 31.453 14.630 -4.349 807 1HB GLU 5 2HB GLU 5 29.962 15.784 -2.109 808 2HB GLU 5 1HB GLU 5 30.669 14.219 -1.709 809 1HG GLU 5 2HG GLU 5 32.745 15.092 -1.640 810 2HG GLU 5 1HG GLU 5 32.539 15.848 -3.220 811 H GLU 6 H GLU 6 28.777 13.562 -2.262 812 HA GLU 6 HA GLU 6 28.636 11.007 -3.822 813 1HB GLU 6 2HB GLU 6 29.412 11.560 -1.008 814 2HB GLU 6 1HB GLU 6 28.334 10.185 -1.248 815 1HG GLU 6 2HG GLU 6 29.874 9.056 -2.623 816 2HG GLU 6 1HG GLU 6 30.786 10.526 -2.965 817 H ASP 7 H ASP 7 26.599 9.796 -3.347 818 HA ASP 7 HA ASP 7 24.241 9.744 -3.192 819 1HB ASP 7 2HB ASP 7 24.828 9.900 -0.829 820 2HB ASP 7 1HB ASP 7 25.004 11.650 -0.957 821 HA PRO 8 HA PRO 8 24.055 13.988 -5.209 822 1HB PRO 8 2HB PRO 8 23.985 13.170 -7.817 823 2HB PRO 8 1HB PRO 8 25.494 13.537 -6.959 824 1HG PRO 8 2HG PRO 8 24.268 10.908 -7.592 825 2HG PRO 8 1HG PRO 8 25.973 11.379 -7.549 826 1HD PRO 8 2HD PRO 8 24.706 9.967 -5.562 827 2HD PRO 8 1HD PRO 8 26.160 10.960 -5.318 828 H CYS 9 H CYS 9 22.568 11.123 -6.803 829 HA CYS 9 HA CYS 9 19.912 12.488 -6.506 830 1HB CYS 9 2HB CYS 9 21.266 10.909 -8.650 831 2HB CYS 9 1HB CYS 9 19.516 10.731 -8.498 832 H GLU 10 H GLU 10 21.061 10.809 -4.421 833 HA GLU 10 HA GLU 10 20.584 8.853 -3.166 834 1HB GLU 10 2HB GLU 10 18.010 9.898 -4.339 835 2HB GLU 10 1HB GLU 10 18.000 8.520 -3.240 836 1HG GLU 10 2HG GLU 10 18.319 9.848 -1.448 837 2HG GLU 10 1HG GLU 10 19.680 10.663 -2.222 838 H CYS 11 H CYS 11 21.564 8.255 -5.837 839 HA CYS 11 HA CYS 11 20.130 6.542 -7.455 840 1HB CYS 11 2HB CYS 11 22.954 6.713 -6.498 841 2HB CYS 11 1HB CYS 11 22.496 5.273 -7.415 842 H LYS 12 H LYS 12 21.247 5.909 -4.182 843 HA LYS 12 HA LYS 12 20.013 3.176 -4.348 844 1HB LYS 12 2HB LYS 12 22.388 4.284 -2.833 845 2HB LYS 12 1HB LYS 12 21.662 2.725 -2.435 846 1HG LYS 12 2HG LYS 12 22.800 1.757 -4.112 847 2HG LYS 12 1HG LYS 12 22.018 2.834 -5.269 848 1HD LYS 12 2HD LYS 12 23.730 4.500 -5.001 849 2HD LYS 12 1HD LYS 12 24.428 3.644 -3.624 850 1HE LYS 12 2HE LYS 12 24.221 2.316 -6.333 851 2HE LYS 12 1HE LYS 12 25.612 3.333 -5.902 852 1HZ LYS 12 3HZ LYS 12 25.367 1.910 -3.686 853 2HZ LYS 12 2HZ LYS 12 24.778 0.768 -4.796 854 3HZ LYS 12 1HZ LYS 12 26.339 1.413 -4.983 855 H SER 13 H SER 13 19.762 6.270 -2.970 856 HA SER 13 HA SER 13 18.616 5.444 -0.391 857 1HB SER 13 2HB SER 13 19.283 7.928 -1.892 858 2HB SER 13 1HB SER 13 18.048 8.069 -0.648 859 HG SER 13 HG SER 13 20.361 8.338 -0.030 860 H ILE 14 H ILE 14 17.486 6.225 -3.591 861 HA ILE 14 HA ILE 14 14.670 6.594 -2.830 862 HB ILE 14 HB ILE 14 16.282 6.413 -5.382 863 1HG1 ILE 14 2HG1 ILE 14 14.637 8.761 -4.544 864 2HG1 ILE 14 1HG1 ILE 14 16.132 8.450 -3.665 865 1HG2 ILE 14 3HG2 ILE 14 13.453 5.982 -5.040 866 2HG2 ILE 14 2HG2 ILE 14 13.715 7.488 -5.919 867 3HG2 ILE 14 1HG2 ILE 14 14.397 5.982 -6.531 868 1HD1 ILE 14 1HD1 ILE 14 17.358 8.380 -5.832 869 2HD1 ILE 14 3HD1 ILE 14 15.861 8.798 -6.664 870 3HD1 ILE 14 2HD1 ILE 14 16.595 9.944 -5.544 871 H VAL 15 H VAL 15 16.769 4.132 -4.198 872 HA VAL 15 HA VAL 15 14.550 2.248 -4.678 873 HB VAL 15 HB VAL 15 17.419 1.404 -4.737 874 1HG1 VAL 15 1HG1 VAL 15 14.931 1.059 -6.396 875 2HG1 VAL 15 3HG1 VAL 15 16.510 0.678 -7.082 876 3HG1 VAL 15 2HG1 VAL 15 15.943 -0.176 -5.647 877 1HG2 VAL 15 3HG2 VAL 15 16.260 3.582 -6.494 878 2HG2 VAL 15 2HG2 VAL 15 17.790 3.594 -5.617 879 3HG2 VAL 15 1HG2 VAL 15 17.596 2.568 -7.033 880 H LYS 16 H LYS 16 16.801 3.140 -2.231 881 HA LYS 16 HA LYS 16 16.767 0.647 -0.720 882 1HB LYS 16 2HB LYS 16 18.589 2.146 -0.361 883 2HB LYS 16 1HB LYS 16 17.515 3.536 -0.198 884 1HG LYS 16 2HG LYS 16 16.947 1.406 1.734 885 2HG LYS 16 1HG LYS 16 18.568 2.081 1.899 886 1HD LYS 16 2HD LYS 16 16.376 4.043 1.498 887 2HD LYS 16 1HD LYS 16 16.390 3.201 3.049 888 1HE LYS 16 2HE LYS 16 18.613 3.965 3.547 889 2HE LYS 16 1HE LYS 16 18.844 4.561 1.891 890 1HZ LYS 16 3HZ LYS 16 16.648 5.844 2.434 891 2HZ LYS 16 2HZ LYS 16 17.166 5.654 4.041 892 3HZ LYS 16 1HZ LYS 16 18.147 6.471 2.919 893 H PHE 17 H PHE 17 15.085 3.790 -0.566 894 HA PHE 17 HA PHE 17 13.354 3.086 1.644 895 1HB PHE 17 2HB PHE 17 13.501 5.382 1.244 896 2HB PHE 17 1HB PHE 17 13.544 5.173 -0.506 897 HD1 PHE 17 HD1 PHE 17 11.300 4.969 2.469 898 HD2 PHE 17 HD2 PHE 17 11.573 5.321 -1.801 899 HE1 PHE 17 HE1 PHE 17 8.863 5.410 2.348 900 HE2 PHE 17 HE2 PHE 17 9.137 5.760 -1.924 901 HZ PHE 17 HZ PHE 17 7.779 5.807 0.152 902 H GLN 18 H GLN 18 13.244 2.706 -1.868 903 HA GLN 18 HA GLN 18 10.521 1.988 -2.219 904 1HB GLN 18 2HB GLN 18 13.138 1.466 -3.552 905 2HB GLN 18 1HB GLN 18 11.768 0.473 -4.054 906 1HG GLN 18 2HG GLN 18 10.558 2.301 -4.850 907 2HG GLN 18 1HG GLN 18 11.426 3.447 -3.827 908 1HE2 GLN 18 2HE2 GLN 18 13.502 2.061 -7.104 909 2HE2 GLN 18 1HE2 GLN 18 12.547 0.974 -6.215 910 H THR 19 H THR 19 13.310 0.000 -1.266 911 HA THR 19 HA THR 19 12.046 -2.548 -1.249 912 HB THR 19 HB THR 19 14.258 -1.259 0.365 913 HG1 THR 19 HG1 THR 19 14.313 -1.882 -1.982 914 1HG2 THR 19 2HG2 THR 19 13.261 -4.116 0.442 915 2HG2 THR 19 1HG2 THR 19 14.841 -3.616 1.047 916 3HG2 THR 19 3HG2 THR 19 13.371 -2.989 1.793 917 H LYS 20 H LYS 20 12.052 0.066 1.148 918 HA LYS 20 HA LYS 20 10.794 -1.388 3.287 919 1HB LYS 20 2HB LYS 20 10.994 1.516 2.451 920 2HB LYS 20 1HB LYS 20 10.111 1.042 3.900 921 1HG LYS 20 2HG LYS 20 12.186 -0.154 4.682 922 2HG LYS 20 1HG LYS 20 13.043 0.554 3.313 923 1HD LYS 20 2HD LYS 20 13.472 2.072 5.067 924 2HD LYS 20 1HD LYS 20 12.135 2.822 4.194 925 1HE LYS 20 2HE LYS 20 11.051 2.877 6.195 926 2HE LYS 20 1HE LYS 20 10.874 1.118 6.023 927 1HZ LYS 20 1HZ LYS 20 13.193 0.953 6.926 928 2HZ LYS 20 3HZ LYS 20 13.089 2.596 7.333 929 3HZ LYS 20 2HZ LYS 20 12.027 1.477 8.045 930 H VAL 21 H VAL 21 9.642 0.368 0.471 931 HA VAL 21 HA VAL 21 6.795 0.174 1.126 932 HB VAL 21 HB VAL 21 8.567 1.005 -1.150 933 1HG1 VAL 21 3HG1 VAL 21 5.586 0.514 -1.325 934 2HG1 VAL 21 2HG1 VAL 21 6.474 1.528 -2.464 935 3HG1 VAL 21 1HG1 VAL 21 6.849 -0.190 -2.336 936 1HG2 VAL 21 1HG2 VAL 21 7.187 2.259 0.983 937 2HG2 VAL 21 3HG2 VAL 21 8.095 3.042 -0.310 938 3HG2 VAL 21 2HG2 VAL 21 6.366 2.752 -0.499 939 H GLU 22 H GLU 22 9.195 -1.875 -0.318 940 HA GLU 22 HA GLU 22 7.410 -3.530 -1.900 941 1HB GLU 22 2HB GLU 22 10.237 -3.532 -0.919 942 2HB GLU 22 1HB GLU 22 9.577 -5.060 -1.501 943 1HG GLU 22 2HG GLU 22 8.721 -3.403 -3.462 944 2HG GLU 22 1HG GLU 22 10.213 -2.585 -2.999 945 H GLU 23 H GLU 23 9.001 -3.958 1.277 946 HA GLU 23 HA GLU 23 7.569 -6.435 1.850 947 1HB GLU 23 2HB GLU 23 8.740 -6.225 3.994 948 2HB GLU 23 1HB GLU 23 9.846 -5.804 2.686 949 1HG GLU 23 2HG GLU 23 9.164 -3.379 3.057 950 2HG GLU 23 1HG GLU 23 8.371 -3.921 4.536 951 H LEU 24 H LEU 24 7.227 -3.017 2.799 952 HA LEU 24 HA LEU 24 5.104 -3.421 4.700 953 1HB LEU 24 2HB LEU 24 6.695 -1.385 4.056 954 2HB LEU 24 1HB LEU 24 5.330 -0.945 3.027 955 HG LEU 24 HG LEU 24 3.828 -1.063 4.990 956 1HD1 LEU 24 1HD1 LEU 24 6.393 -1.921 6.303 957 2HD1 LEU 24 3HD1 LEU 24 5.161 -1.087 7.250 958 3HD1 LEU 24 2HD1 LEU 24 4.779 -2.617 6.459 959 1HD2 LEU 24 2HD2 LEU 24 5.492 0.965 4.331 960 2HD2 LEU 24 1HD2 LEU 24 4.356 1.068 5.677 961 3HD2 LEU 24 3HD2 LEU 24 6.046 0.660 5.977 962 H ILE 25 H ILE 25 5.160 -2.849 1.186 963 HA ILE 25 HA ILE 25 2.334 -2.502 0.831 964 HB ILE 25 HB ILE 25 4.701 -3.305 -0.837 965 1HG1 ILE 25 2HG1 ILE 25 4.041 -0.915 -0.176 966 2HG1 ILE 25 1HG1 ILE 25 4.288 -1.202 -1.898 967 1HG2 ILE 25 3HG2 ILE 25 1.807 -3.670 -1.539 968 2HG2 ILE 25 2HG2 ILE 25 2.929 -3.131 -2.790 969 3HG2 ILE 25 1HG2 ILE 25 3.196 -4.669 -1.970 970 1HD1 ILE 25 1HD1 ILE 25 1.776 -1.623 -2.050 971 2HD1 ILE 25 3HD1 ILE 25 1.670 -0.983 -0.410 972 3HD1 ILE 25 2HD1 ILE 25 2.265 0.035 -1.720 973 H ASN 26 H ASN 26 4.422 -5.417 0.596 974 HA ASN 26 HA ASN 26 2.326 -7.285 0.049 975 1HB ASN 26 2HB ASN 26 5.007 -7.376 0.184 976 2HB ASN 26 1HB ASN 26 4.653 -8.005 1.793 977 1HD2 ASN 26 2HD2 ASN 26 3.895 -11.194 0.546 978 2HD2 ASN 26 1HD2 ASN 26 4.418 -10.236 1.844 979 H THR 27 H THR 27 3.544 -5.826 2.998 980 HA THR 27 HA THR 27 2.153 -7.487 4.896 981 HB THR 27 HB THR 27 3.268 -4.672 4.907 982 HG1 THR 27 HG1 THR 27 4.160 -7.132 6.005 983 1HG2 THR 27 3HG2 THR 27 1.768 -6.190 6.982 984 2HG2 THR 27 2HG2 THR 27 3.201 -5.313 7.519 985 3HG2 THR 27 1HG2 THR 27 1.884 -4.449 6.725 986 H LEU 28 H LEU 28 1.247 -4.612 3.033 987 HA LEU 28 HA LEU 28 -1.184 -4.053 4.532 988 1HB LEU 28 2HB LEU 28 -0.185 -3.339 1.749 989 2HB LEU 28 1HB LEU 28 -1.642 -2.658 2.465 990 HG LEU 28 HG LEU 28 1.064 -2.482 3.805 991 1HD1 LEU 28 1HD1 LEU 28 -0.006 -1.016 1.503 992 2HD1 LEU 28 3HD1 LEU 28 0.407 0.051 2.845 993 3HD1 LEU 28 2HD1 LEU 28 1.629 -1.021 2.162 994 1HD2 LEU 28 3HD2 LEU 28 -1.641 -1.818 4.528 995 2HD2 LEU 28 2HD2 LEU 28 -0.171 -1.611 5.480 996 3HD2 LEU 28 1HD2 LEU 28 -0.705 -0.328 4.395 997 H GLN 29 H GLN 29 -0.465 -5.628 1.424 998 HA GLN 29 HA GLN 29 -3.169 -6.438 0.851 999 1HB GLN 29 2HB GLN 29 -1.021 -6.189 -0.610 1000 2HB GLN 29 1HB GLN 29 -0.648 -7.823 -0.065 1001 1HG GLN 29 2HG GLN 29 -2.660 -8.703 -1.021 1002 2HG GLN 29 1HG GLN 29 -3.304 -7.087 -1.315 1003 1HE2 GLN 29 2HE2 GLN 29 -2.059 -7.752 -4.621 1004 2HE2 GLN 29 1HE2 GLN 29 -3.451 -7.838 -3.654 1005 H GLN 30 H GLN 30 -0.817 -7.531 3.072 1006 HA GLN 30 HA GLN 30 -1.724 -10.323 3.216 1007 1HB GLN 30 2HB GLN 30 0.192 -8.503 4.659 1008 2HB GLN 30 1HB GLN 30 -0.203 -10.084 5.335 1009 1HG GLN 30 2HG GLN 30 0.410 -10.129 2.459 1010 2HG GLN 30 1HG GLN 30 1.756 -9.632 3.480 1011 1HE2 GLN 30 2HE2 GLN 30 2.271 -13.173 3.702 1012 2HE2 GLN 30 1HE2 GLN 30 2.754 -11.780 2.863 1013 H LYS 31 H LYS 31 -1.792 -7.470 5.367 1014 HA LYS 31 HA LYS 31 -3.579 -8.609 7.312 1015 1HB LYS 31 2HB LYS 31 -2.474 -5.947 6.537 1016 2HB LYS 31 1HB LYS 31 -3.908 -5.939 7.565 1017 1HG LYS 31 2HG LYS 31 -1.418 -7.555 8.168 1018 2HG LYS 31 1HG LYS 31 -1.734 -5.953 8.839 1019 1HD LYS 31 2HD LYS 31 -3.814 -6.765 9.852 1020 2HD LYS 31 1HD LYS 31 -3.546 -8.360 9.152 1021 1HE LYS 31 2HE LYS 31 -2.115 -8.938 10.820 1022 2HE LYS 31 1HE LYS 31 -1.223 -7.410 10.669 1023 1HZ LYS 31 1HZ LYS 31 -3.304 -6.375 11.697 1024 2HZ LYS 31 3HZ LYS 31 -3.707 -7.950 12.180 1025 3HZ LYS 31 2HZ LYS 31 -2.267 -7.236 12.731 1026 H LEU 32 H LEU 32 -4.018 -7.373 4.149 1027 HA LEU 32 HA LEU 32 -6.847 -6.637 4.459 1028 1HB LEU 32 2HB LEU 32 -4.921 -5.734 2.905 1029 2HB LEU 32 1HB LEU 32 -5.357 -7.105 1.886 1030 HG LEU 32 HG LEU 32 -7.626 -6.313 1.674 1031 1HD1 LEU 32 1HD1 LEU 32 -6.780 -4.467 3.885 1032 2HD1 LEU 32 3HD1 LEU 32 -8.047 -3.951 2.772 1033 3HD1 LEU 32 2HD1 LEU 32 -8.259 -5.417 3.730 1034 1HD2 LEU 32 3HD2 LEU 32 -5.551 -4.126 1.348 1035 2HD2 LEU 32 2HD2 LEU 32 -6.095 -5.272 0.123 1036 3HD2 LEU 32 1HD2 LEU 32 -7.187 -4.011 0.697 1037 H GLU 33 H GLU 33 -4.933 -9.240 2.922 1038 HA GLU 33 HA GLU 33 -7.209 -10.725 1.944 1039 1HB GLU 33 2HB GLU 33 -5.058 -11.104 0.970 1040 2HB GLU 33 1HB GLU 33 -4.304 -11.335 2.547 1041 1HG GLU 33 2HG GLU 33 -5.460 -13.430 2.873 1042 2HG GLU 33 1HG GLU 33 -6.441 -13.168 1.430 1043 H ALA 34 H ALA 34 -5.773 -10.320 5.036 1044 HA ALA 34 HA ALA 34 -6.900 -12.815 6.163 1045 1HB ALA 34 3HB ALA 34 -4.944 -10.715 6.857 1046 2HB ALA 34 2HB ALA 34 -5.923 -11.247 8.223 1047 3HB ALA 34 1HB ALA 34 -4.962 -12.417 7.317 1048 H VAL 35 H VAL 35 -7.375 -9.335 6.097 1049 HA VAL 35 HA VAL 35 -9.446 -9.151 8.083 1050 HB VAL 35 HB VAL 35 -8.203 -7.560 5.916 1051 1HG1 VAL 35 3HG1 VAL 35 -10.617 -7.396 5.323 1052 2HG1 VAL 35 2HG1 VAL 35 -10.946 -6.798 6.950 1053 3HG1 VAL 35 1HG1 VAL 35 -9.939 -5.856 5.850 1054 1HG2 VAL 35 1HG2 VAL 35 -7.593 -7.394 8.317 1055 2HG2 VAL 35 3HG2 VAL 35 -8.163 -5.856 7.671 1056 3HG2 VAL 35 2HG2 VAL 35 -9.229 -6.840 8.673 1057 H ALA 36 H ALA 36 -9.410 -9.850 4.601 1058 HA ALA 36 HA ALA 36 -12.282 -9.752 4.228 1059 1HB ALA 36 1HB ALA 36 -9.895 -10.146 2.726 1060 2HB ALA 36 3HB ALA 36 -10.917 -11.554 2.437 1061 3HB ALA 36 2HB ALA 36 -11.531 -9.936 2.099 1062 H LYS 37 H LYS 37 -9.970 -12.157 5.314 1063 HA LYS 37 HA LYS 37 -11.775 -14.435 5.081 1064 1HB LYS 37 2HB LYS 37 -9.094 -13.784 6.235 1065 2HB LYS 37 1HB LYS 37 -9.902 -15.239 6.825 1066 1HG LYS 37 2HG LYS 37 -9.668 -16.333 4.838 1067 2HG LYS 37 1HG LYS 37 -9.972 -14.878 3.889 1068 1HD LYS 37 2HD LYS 37 -7.755 -14.839 3.462 1069 2HD LYS 37 1HD LYS 37 -7.532 -14.368 5.149 1070 1HE LYS 37 2HE LYS 37 -6.305 -16.291 5.314 1071 2HE LYS 37 1HE LYS 37 -7.877 -17.116 5.326 1072 1HZ LYS 37 1HZ LYS 37 -7.755 -16.872 2.801 1073 2HZ LYS 37 3HZ LYS 37 -6.100 -16.579 3.024 1074 3HZ LYS 37 2HZ LYS 37 -6.774 -18.059 3.518 1075 H ARG 38 H ARG 38 -10.982 -12.071 7.580 1076 HA ARG 38 HA ARG 38 -12.410 -13.419 9.719 1077 1HB ARG 38 2HB ARG 38 -11.665 -10.496 9.372 1078 2HB ARG 38 1HB ARG 38 -11.950 -11.338 10.895 1079 1HG ARG 38 2HG ARG 38 -9.891 -12.547 9.138 1080 2HG ARG 38 1HG ARG 38 -9.476 -10.977 9.824 1081 1HD ARG 38 2HD ARG 38 -10.395 -12.077 12.063 1082 2HD ARG 38 1HD ARG 38 -9.965 -13.581 11.225 1083 HE ARG 38 HE ARG 38 -7.695 -12.396 10.804 1084 1HH1 ARG 38 2HH1 ARG 38 -9.166 -10.226 12.680 1085 2HH1 ARG 38 1HH1 ARG 38 -8.159 -10.394 14.080 1086 1HH2 ARG 38 1HH2 ARG 38 -6.628 -13.297 12.961 1087 2HH2 ARG 38 2HH2 ARG 38 -6.719 -12.129 14.236 1088 H ILE 39 H ILE 39 -13.126 -10.894 7.352 1089 HA ILE 39 HA ILE 39 -15.691 -10.089 8.266 1090 HB ILE 39 HB ILE 39 -14.267 -10.252 5.609 1091 1HG1 ILE 39 2HG1 ILE 39 -13.721 -8.549 7.438 1092 2HG1 ILE 39 1HG1 ILE 39 -14.102 -7.876 5.853 1093 1HG2 ILE 39 3HG2 ILE 39 -17.061 -9.175 6.099 1094 2HG2 ILE 39 2HG2 ILE 39 -16.135 -8.961 4.612 1095 3HG2 ILE 39 1HG2 ILE 39 -16.650 -10.574 5.106 1096 1HD1 ILE 39 2HD1 ILE 39 -16.307 -8.291 7.844 1097 2HD1 ILE 39 1HD1 ILE 39 -15.255 -6.885 7.999 1098 3HD1 ILE 39 3HD1 ILE 39 -16.201 -7.119 6.530 1099 H GLU 40 H GLU 40 -14.697 -12.699 6.055 1100 HA GLU 40 HA GLU 40 -17.311 -13.714 5.482 1101 1HB GLU 40 2HB GLU 40 -14.606 -15.095 5.680 1102 2HB GLU 40 1HB GLU 40 -16.020 -15.750 4.852 1103 1HG GLU 40 2HG GLU 40 -15.473 -13.040 3.969 1104 2HG GLU 40 1HG GLU 40 -14.059 -14.073 3.747 1105 H ALA 41 H ALA 41 -15.036 -14.198 8.140 1106 HA ALA 41 HA ALA 41 -16.316 -16.424 9.406 1107 1HB ALA 41 1HB ALA 41 -14.155 -14.681 9.833 1108 2HB ALA 41 3HB ALA 41 -15.197 -14.449 11.237 1109 3HB ALA 41 2HB ALA 41 -14.596 -16.059 10.842 1110 H LEU 42 H LEU 42 -16.952 -12.950 9.457 1111 HA LEU 42 HA LEU 42 -19.051 -13.191 11.504 1112 1HB LEU 42 2HB LEU 42 -18.050 -10.977 9.689 1113 2HB LEU 42 1HB LEU 42 -19.327 -10.747 10.873 1114 HG LEU 42 HG LEU 42 -17.649 -10.185 12.292 1115 1HD1 LEU 42 1HD1 LEU 42 -18.245 -12.430 13.155 1116 2HD1 LEU 42 3HD1 LEU 42 -16.982 -13.141 12.150 1117 3HD1 LEU 42 2HD1 LEU 42 -16.553 -12.043 13.462 1118 1HD2 LEU 42 3HD2 LEU 42 -16.135 -10.924 9.996 1119 2HD2 LEU 42 2HD2 LEU 42 -15.659 -9.864 11.321 1120 3HD2 LEU 42 1HD2 LEU 42 -15.329 -11.594 11.416 1121 H GLU 43 H GLU 43 -18.752 -13.313 8.033 1122 HA GLU 43 HA GLU 43 -21.524 -12.688 7.411 1123 1HB GLU 43 2HB GLU 43 -19.323 -14.175 5.937 1124 2HB GLU 43 1HB GLU 43 -20.824 -13.617 5.199 1125 1HG GLU 43 2HG GLU 43 -19.841 -11.387 6.557 1126 2HG GLU 43 1HG GLU 43 -18.419 -12.120 5.818 1127 H ASN 44 H ASN 44 -19.825 -15.407 8.640 1128 HA ASN 44 HA ASN 44 -21.637 -17.489 7.709 1129 1HB ASN 44 2HB ASN 44 -19.494 -17.199 9.817 1130 2HB ASN 44 1HB ASN 44 -20.450 -18.676 9.712 1131 1HD2 ASN 44 2HD2 ASN 44 -18.941 -19.750 6.656 1132 2HD2 ASN 44 1HD2 ASN 44 -20.298 -19.930 7.661 1133 H LYS 45 H LYS 45 -21.626 -15.150 10.275 1134 HA LYS 45 HA LYS 45 -23.983 -16.489 11.561 1135 1HB LYS 45 2HB LYS 45 -21.877 -14.549 12.570 1136 2HB LYS 45 1HB LYS 45 -23.283 -15.034 13.519 1137 1HG LYS 45 2HG LYS 45 -21.484 -16.480 14.176 1138 2HG LYS 45 1HG LYS 45 -22.551 -17.444 13.153 1139 1HD LYS 45 2HD LYS 45 -21.006 -17.625 11.493 1140 2HD LYS 45 1HD LYS 45 -20.452 -15.964 11.698 1141 1HE LYS 45 2HE LYS 45 -18.689 -16.656 12.942 1142 2HE LYS 45 1HE LYS 45 -19.761 -17.561 14.029 1143 1HZ LYS 45 1HZ LYS 45 -19.926 -19.288 12.303 1144 2HZ LYS 45 3HZ LYS 45 -18.783 -18.453 11.369 1145 3HZ LYS 45 2HZ LYS 45 -18.338 -19.101 12.876 1146 H ILE 46 H ILE 46 -22.960 -13.804 9.683 1147 HA ILE 46 HA ILE 46 -25.331 -12.172 10.494 1148 HB ILE 46 HB ILE 46 -22.836 -11.599 8.861 1149 1HG1 ILE 46 2HG1 ILE 46 -22.181 -11.590 11.125 1150 2HG1 ILE 46 1HG1 ILE 46 -22.580 -9.901 10.831 1151 1HG2 ILE 46 2HG2 ILE 46 -25.400 -10.205 9.050 1152 2HG2 ILE 46 1HG2 ILE 46 -24.040 -9.180 9.508 1153 3HG2 ILE 46 3HG2 ILE 46 -24.067 -9.954 7.923 1154 1HD1 ILE 46 2HD1 ILE 46 -24.988 -10.655 11.613 1155 2HD1 ILE 46 1HD1 ILE 46 -24.097 -11.963 12.389 1156 3HD1 ILE 46 3HD1 ILE 46 -23.741 -10.286 12.805 1157 H ILE 47 HN ILE 47 -24.204 -14.311 8.055 1158 HA ILE 47 HA ILE 47 -26.296 -13.285 6.164 1159 HB ILE 47 HB ILE 47 -23.615 -13.503 5.772 1160 1HG1 ILE 47 2HG1 ILE 47 -25.217 -12.414 4.269 1161 2HG1 ILE 47 1HG1 ILE 47 -24.144 -13.468 3.348 1162 1HG2 ILE 47 3HG2 ILE 47 -24.184 -16.139 5.952 1163 2HG2 ILE 47 2HG2 ILE 47 -24.489 -15.895 4.233 1164 3HG2 ILE 47 1HG2 ILE 47 -22.910 -15.508 4.913 1165 1HD1 ILE 47 3HD1 ILE 47 -25.924 -15.276 3.591 1166 2HD1 ILE 47 2HD1 ILE 47 -26.999 -14.010 4.185 1167 3HD1 ILE 47 1HD1 ILE 47 -26.351 -13.921 2.546 No H/Q in entry = 1167 Start of MODEL 12 1 1H GLY 1 1H GLY 1 14.574 -8.324 -25.256 2 2H GLY 1 3H GLY 1 13.630 -7.291 -24.297 3 3H GLY 1 2H GLY 1 13.354 -7.381 -25.971 4 1HA GLY 1 2HA GLY 1 14.532 -5.409 -25.730 5 2HA GLY 1 1HA GLY 1 15.615 -6.131 -24.539 6 H SER 2 H SER 2 14.995 -5.696 -27.925 7 HA SER 2 HA SER 2 17.182 -7.550 -28.702 8 1HB SER 2 2HB SER 2 14.772 -6.448 -29.845 9 2HB SER 2 1HB SER 2 16.136 -6.096 -30.902 10 HG SER 2 HG SER 2 16.480 -8.203 -31.181 11 H HIS 3 H HIS 3 16.692 -4.220 -27.992 12 HA HIS 3 HA HIS 3 19.048 -3.367 -29.606 13 1HB HIS 3 2HB HIS 3 16.580 -2.260 -29.021 14 2HB HIS 3 1HB HIS 3 17.657 -1.406 -27.914 15 HD1 HIS 3 HD1 HIS 3 18.385 0.723 -28.984 16 HD2 HIS 3 HD2 HIS 3 18.188 -2.384 -31.756 17 HE1 HIS 3 HE1 HIS 3 19.165 1.685 -31.193 18 H MET 4 H MET 4 20.879 -2.392 -28.574 19 HA MET 4 HA MET 4 21.445 -3.397 -25.873 20 1HB MET 4 2HB MET 4 22.845 -2.750 -28.225 21 2HB MET 4 1HB MET 4 23.387 -1.569 -27.033 22 1HG MET 4 2HG MET 4 24.851 -3.392 -26.712 23 2HG MET 4 1HG MET 4 23.646 -3.599 -25.442 24 1HE MET 4 3HE MET 4 24.826 -4.541 -28.966 25 2HE MET 4 2HE MET 4 25.712 -5.442 -27.737 26 3HE MET 4 1HE MET 4 24.690 -6.302 -28.886 27 H GLU 5 H GLU 5 19.858 -2.071 -24.670 28 HA GLU 5 HA GLU 5 20.126 0.854 -24.696 29 1HB GLU 5 2HB GLU 5 18.216 -1.077 -23.994 30 2HB GLU 5 1HB GLU 5 18.676 -0.332 -22.464 31 1HG GLU 5 2HG GLU 5 18.234 1.899 -23.396 32 2HG GLU 5 1HG GLU 5 17.815 1.178 -24.949 33 H GLU 6 H GLU 6 20.171 1.753 -22.213 34 HA GLU 6 HA GLU 6 22.628 0.569 -20.956 35 1HB GLU 6 2HB GLU 6 22.157 3.081 -22.079 36 2HB GLU 6 1HB GLU 6 22.015 3.363 -20.343 37 1HG GLU 6 2HG GLU 6 24.201 2.152 -20.039 38 2HG GLU 6 1HG GLU 6 24.358 2.100 -21.796 39 H ASP 7 H ASP 7 22.734 1.355 -18.529 40 HA ASP 7 HA ASP 7 20.341 1.927 -17.091 41 1HB ASP 7 2HB ASP 7 19.974 -0.417 -18.118 42 2HB ASP 7 1HB ASP 7 21.173 -0.973 -16.950 43 HA PRO 8 HA PRO 8 24.397 1.957 -14.830 44 1HB PRO 8 2HB PRO 8 24.461 4.651 -14.344 45 2HB PRO 8 1HB PRO 8 25.138 3.915 -15.810 46 1HG PRO 8 2HG PRO 8 22.585 5.375 -15.432 47 2HG PRO 8 1HG PRO 8 23.665 5.327 -16.832 48 1HD PRO 8 2HD PRO 8 21.299 3.921 -16.619 49 2HD PRO 8 1HD PRO 8 22.635 3.503 -17.712 50 H CYS 9 H CYS 9 21.894 4.396 -13.989 51 HA CYS 9 HA CYS 9 21.821 3.205 -11.238 52 1HB CYS 9 2HB CYS 9 21.661 5.964 -12.393 53 2HB CYS 9 1HB CYS 9 20.776 5.641 -10.898 54 H GLU 10 H GLU 10 20.269 2.129 -13.434 55 HA GLU 10 HA GLU 10 18.031 1.679 -14.069 56 1HB GLU 10 2HB GLU 10 18.058 2.017 -11.066 57 2HB GLU 10 1HB GLU 10 16.633 1.434 -11.928 58 1HG GLU 10 2HG GLU 10 17.577 -0.588 -12.392 59 2HG GLU 10 1HG GLU 10 19.177 0.109 -12.657 60 H CYS 11 H CYS 11 18.544 4.340 -14.668 61 HA CYS 11 HA CYS 11 17.022 6.340 -13.446 62 1HB CYS 11 2HB CYS 11 18.015 5.725 -16.195 63 2HB CYS 11 1HB CYS 11 16.856 7.047 -16.028 64 H LYS 12 H LYS 12 15.981 3.704 -15.519 65 HA LYS 12 HA LYS 12 13.156 4.695 -15.291 66 1HB LYS 12 2HB LYS 12 14.384 2.874 -17.385 67 2HB LYS 12 1HB LYS 12 12.792 3.631 -17.440 68 1HG LYS 12 2HG LYS 12 13.859 5.237 -18.655 69 2HG LYS 12 1HG LYS 12 14.386 5.817 -17.074 70 1HD LYS 12 2HD LYS 12 16.450 4.523 -17.246 71 2HD LYS 12 1HD LYS 12 15.919 3.834 -18.780 72 1HE LYS 12 2HE LYS 12 15.664 6.470 -19.366 73 2HE LYS 12 1HE LYS 12 17.009 6.539 -18.210 74 1HZ LYS 12 3HZ LYS 12 16.940 4.471 -20.312 75 2HZ LYS 12 2HZ LYS 12 17.539 6.024 -20.661 76 3HZ LYS 12 1HZ LYS 12 18.275 5.076 -19.460 77 H SER 13 H SER 13 15.381 2.232 -14.453 78 HA SER 13 HA SER 13 13.470 0.024 -14.256 79 1HB SER 13 2HB SER 13 16.322 0.622 -13.619 80 2HB SER 13 1HB SER 13 15.581 -0.723 -12.759 81 HG SER 13 HG SER 13 14.980 -1.571 -14.802 82 H ILE 14 H ILE 14 14.619 2.595 -12.193 83 HA ILE 14 HA ILE 14 13.573 1.463 -9.697 84 HB ILE 14 HB ILE 14 14.757 4.086 -10.637 85 1HG1 ILE 14 2HG1 ILE 14 15.793 2.237 -8.504 86 2HG1 ILE 14 1HG1 ILE 14 16.073 1.879 -10.206 87 1HG2 ILE 14 3HG2 ILE 14 13.019 4.432 -8.818 88 2HG2 ILE 14 2HG2 ILE 14 14.021 3.422 -7.776 89 3HG2 ILE 14 1HG2 ILE 14 14.652 4.947 -8.397 90 1HD1 ILE 14 3HD1 ILE 14 16.991 4.229 -10.448 91 2HD1 ILE 14 2HD1 ILE 14 16.928 4.355 -8.689 92 3HD1 ILE 14 1HD1 ILE 14 17.967 3.150 -9.451 93 H VAL 15 H VAL 15 12.720 4.037 -11.969 94 HA VAL 15 HA VAL 15 10.250 4.749 -10.586 95 HB VAL 15 HB VAL 15 10.748 5.388 -13.475 96 1HG1 VAL 15 3HG1 VAL 15 9.760 6.821 -11.008 97 2HG1 VAL 15 2HG1 VAL 15 10.190 7.706 -12.471 98 3HG1 VAL 15 1HG1 VAL 15 8.896 6.508 -12.514 99 1HG2 VAL 15 3HG2 VAL 15 12.536 6.174 -11.176 100 2HG2 VAL 15 2HG2 VAL 15 12.992 5.662 -12.800 101 3HG2 VAL 15 1HG2 VAL 15 12.308 7.264 -12.543 102 H LYS 16 H LYS 16 11.274 2.377 -12.863 103 HA LYS 16 HA LYS 16 8.685 1.805 -14.074 104 1HB LYS 16 2HB LYS 16 10.602 1.101 -15.283 105 2HB LYS 16 1HB LYS 16 11.383 0.462 -13.836 106 1HG LYS 16 2HG LYS 16 10.423 -1.281 -15.434 107 2HG LYS 16 1HG LYS 16 9.908 -1.415 -13.752 108 1HD LYS 16 2HD LYS 16 7.750 -0.855 -14.228 109 2HD LYS 16 1HD LYS 16 8.223 0.332 -15.445 110 1HE LYS 16 2HE LYS 16 8.080 -1.185 -17.148 111 2HE LYS 16 1HE LYS 16 8.807 -2.481 -16.175 112 1HZ LYS 16 2HZ LYS 16 6.182 -1.468 -15.369 113 2HZ LYS 16 1HZ LYS 16 6.244 -2.474 -16.737 114 3HZ LYS 16 3HZ LYS 16 6.822 -3.038 -15.245 115 H PHE 17 H PHE 17 10.661 0.465 -11.439 116 HA PHE 17 HA PHE 17 8.819 -1.573 -10.603 117 1HB PHE 17 2HB PHE 17 10.962 -1.794 -9.714 118 2HB PHE 17 1HB PHE 17 11.165 -0.055 -9.518 119 HD1 PHE 17 HD1 PHE 17 10.010 1.131 -7.634 120 HD2 PHE 17 HD2 PHE 17 10.079 -3.152 -7.951 121 HE1 PHE 17 HE1 PHE 17 9.354 0.948 -5.252 122 HE2 PHE 17 HE2 PHE 17 9.422 -3.338 -5.568 123 HZ PHE 17 HZ PHE 17 9.058 -1.290 -4.214 124 H GLN 18 H GLN 18 9.108 1.889 -10.029 125 HA GLN 18 HA GLN 18 7.333 2.144 -7.806 126 1HB GLN 18 2HB GLN 18 8.363 3.851 -10.034 127 2HB GLN 18 1HB GLN 18 7.024 4.474 -9.066 128 1HG GLN 18 2HG GLN 18 8.362 3.975 -7.005 129 2HG GLN 18 1HG GLN 18 9.720 3.549 -8.044 130 1HE2 GLN 18 2HE2 GLN 18 10.485 7.019 -7.461 131 2HE2 GLN 18 1HE2 GLN 18 10.747 5.469 -6.826 132 H THR 19 H THR 19 6.716 2.172 -11.316 133 HA THR 19 HA THR 19 3.919 2.732 -11.233 134 HB THR 19 HB THR 19 5.702 1.113 -13.078 135 HG1 THR 19 HG1 THR 19 5.759 3.509 -12.795 136 1HG2 THR 19 3HG2 THR 19 2.745 1.622 -13.172 137 2HG2 THR 19 2HG2 THR 19 3.659 1.543 -14.678 138 3HG2 THR 19 1HG2 THR 19 3.637 0.157 -13.586 139 H LYS 20 H LYS 20 5.740 -0.259 -10.725 140 HA LYS 20 HA LYS 20 3.464 -2.048 -10.702 141 1HB LYS 20 2HB LYS 20 6.266 -2.133 -9.526 142 2HB LYS 20 1HB LYS 20 5.169 -3.516 -9.515 143 1HG LYS 20 2HG LYS 20 4.965 -3.193 -12.043 144 2HG LYS 20 1HG LYS 20 6.338 -2.092 -11.913 145 1HD LYS 20 2HD LYS 20 7.821 -3.782 -11.552 146 2HD LYS 20 1HD LYS 20 6.691 -4.690 -10.546 147 1HE LYS 20 2HE LYS 20 6.408 -4.470 -13.562 148 2HE LYS 20 1HE LYS 20 7.226 -5.821 -12.751 149 1HZ LYS 20 1HZ LYS 20 4.657 -5.044 -11.643 150 2HZ LYS 20 3HZ LYS 20 4.593 -5.753 -13.182 151 3HZ LYS 20 2HZ LYS 20 5.308 -6.594 -11.892 152 H VAL 21 H VAL 21 5.054 0.036 -8.390 153 HA VAL 21 HA VAL 21 3.603 -0.982 -6.054 154 HB VAL 21 HB VAL 21 5.573 1.165 -6.754 155 1HG1 VAL 21 1HG1 VAL 21 3.613 1.283 -4.496 156 2HG1 VAL 21 3HG1 VAL 21 5.278 1.767 -4.171 157 3HG1 VAL 21 2HG1 VAL 21 4.344 2.599 -5.415 158 1HG2 VAL 21 2HG2 VAL 21 5.787 -1.349 -5.744 159 2HG2 VAL 21 1HG2 VAL 21 6.971 -0.079 -5.440 160 3HG2 VAL 21 3HG2 VAL 21 5.716 -0.417 -4.249 161 H GLU 22 H GLU 22 3.035 1.202 -8.645 162 HA GLU 22 HA GLU 22 1.135 2.963 -7.310 163 1HB GLU 22 2HB GLU 22 2.167 2.381 -10.056 164 2HB GLU 22 1HB GLU 22 0.628 3.231 -9.941 165 1HG GLU 22 2HG GLU 22 2.850 4.184 -8.195 166 2HG GLU 22 1HG GLU 22 2.958 4.543 -9.919 167 H GLU 23 H GLU 23 0.898 0.164 -9.515 168 HA GLU 23 HA GLU 23 -2.009 0.053 -9.419 169 1HB GLU 23 2HB GLU 23 -0.031 -2.126 -10.150 170 2HB GLU 23 1HB GLU 23 -1.672 -1.915 -10.763 171 1HG GLU 23 2HG GLU 23 -0.312 0.514 -11.276 172 2HG GLU 23 1HG GLU 23 0.781 -0.781 -11.762 173 H LEU 24 H LEU 24 0.651 -1.374 -7.609 174 HA LEU 24 HA LEU 24 -0.890 -3.406 -6.241 175 1HB LEU 24 2HB LEU 24 1.707 -2.925 -6.621 176 2HB LEU 24 1HB LEU 24 1.541 -2.099 -5.071 177 HG LEU 24 HG LEU 24 2.153 -4.360 -4.569 178 1HD1 LEU 24 3HD1 LEU 24 0.057 -3.229 -3.435 179 2HD1 LEU 24 2HD1 LEU 24 -0.828 -4.511 -4.259 180 3HD1 LEU 24 1HD1 LEU 24 0.435 -4.917 -3.098 181 1HD2 LEU 24 1HD2 LEU 24 0.408 -4.911 -6.869 182 2HD2 LEU 24 3HD2 LEU 24 1.770 -5.842 -6.245 183 3HD2 LEU 24 2HD2 LEU 24 0.170 -6.032 -5.528 184 H ILE 25 H ILE 25 0.177 -0.107 -5.349 185 HA ILE 25 HA ILE 25 -1.006 -0.075 -2.743 186 HB ILE 25 HB ILE 25 0.264 1.741 -4.670 187 1HG1 ILE 25 2HG1 ILE 25 1.397 2.513 -2.715 188 2HG1 ILE 25 1HG1 ILE 25 0.107 1.941 -1.656 189 1HG2 ILE 25 2HG2 ILE 25 -1.830 2.869 -2.785 190 2HG2 ILE 25 1HG2 ILE 25 -0.620 3.829 -3.636 191 3HG2 ILE 25 3HG2 ILE 25 -1.857 2.960 -4.546 192 1HD1 ILE 25 1HD1 ILE 25 1.241 -0.179 -3.338 193 2HD1 ILE 25 3HD1 ILE 25 2.418 0.545 -2.243 194 3HD1 ILE 25 2HD1 ILE 25 0.938 -0.164 -1.600 195 H ASN 26 H ASN 26 -2.283 0.695 -5.972 196 HA ASN 26 HA ASN 26 -4.788 1.820 -5.085 197 1HB ASN 26 2HB ASN 26 -3.515 1.755 -7.402 198 2HB ASN 26 1HB ASN 26 -4.439 0.272 -7.640 199 1HD2 ASN 26 2HD2 ASN 26 -6.452 3.856 -7.456 200 2HD2 ASN 26 1HD2 ASN 26 -4.897 3.742 -6.782 201 H THR 27 H THR 27 -3.758 -1.450 -6.004 202 HA THR 27 HA THR 27 -6.297 -2.753 -5.741 203 HB THR 27 HB THR 27 -3.417 -3.650 -5.423 204 HG1 THR 27 HG1 THR 27 -4.542 -2.821 -7.481 205 1HG2 THR 27 3HG2 THR 27 -6.000 -5.154 -5.291 206 2HG2 THR 27 2HG2 THR 27 -4.622 -5.918 -6.083 207 3HG2 THR 27 1HG2 THR 27 -4.503 -5.417 -4.395 208 H LEU 28 H LEU 28 -3.803 -1.863 -3.392 209 HA LEU 28 HA LEU 28 -4.845 -3.462 -1.207 210 1HB LEU 28 2HB LEU 28 -2.946 -1.155 -1.576 211 2HB LEU 28 1HB LEU 28 -3.424 -1.632 0.053 212 HG LEU 28 HG LEU 28 -2.594 -3.815 -1.790 213 1HD1 LEU 28 1HD1 LEU 28 -0.627 -1.889 -0.513 214 2HD1 LEU 28 3HD1 LEU 28 -0.204 -3.400 -1.316 215 3HD1 LEU 28 2HD1 LEU 28 -0.904 -2.073 -2.244 216 1HD2 LEU 28 2HD2 LEU 28 -2.995 -3.347 1.014 217 2HD2 LEU 28 1HD2 LEU 28 -2.629 -4.869 0.201 218 3HD2 LEU 28 3HD2 LEU 28 -1.317 -3.830 0.759 219 H GLN 29 H GLN 29 -5.134 -0.024 -2.111 220 HA GLN 29 HA GLN 29 -6.919 0.693 0.035 221 1HB GLN 29 2HB GLN 29 -5.406 2.030 -1.691 222 2HB GLN 29 1HB GLN 29 -6.884 2.026 -2.652 223 1HG GLN 29 2HG GLN 29 -7.490 2.693 0.096 224 2HG GLN 29 1HG GLN 29 -6.246 3.773 -0.533 225 1HE2 GLN 29 2HE2 GLN 29 -9.762 4.947 -1.460 226 2HE2 GLN 29 1HE2 GLN 29 -9.124 4.407 0.017 227 H GLN 30 H GLN 30 -7.291 -1.119 -2.834 228 HA GLN 30 HA GLN 30 -10.134 -0.541 -3.283 229 1HB GLN 30 2HB GLN 30 -8.027 -2.413 -4.357 230 2HB GLN 30 1HB GLN 30 -9.717 -2.621 -4.813 231 1HG GLN 30 2HG GLN 30 -8.865 0.163 -4.986 232 2HG GLN 30 1HG GLN 30 -7.906 -0.895 -6.017 233 1HE2 GLN 30 2HE2 GLN 30 -11.915 -0.446 -6.790 234 2HE2 GLN 30 1HE2 GLN 30 -11.304 -0.016 -5.266 235 H LYS 31 H LYS 31 -8.224 -3.363 -2.219 236 HA LYS 31 HA LYS 31 -10.483 -4.948 -1.384 237 1HB LYS 31 2HB LYS 31 -7.567 -5.005 -1.373 238 2HB LYS 31 1HB LYS 31 -8.217 -5.657 0.131 239 1HG LYS 31 2HG LYS 31 -9.627 -7.218 -1.105 240 2HG LYS 31 1HG LYS 31 -9.102 -6.521 -2.637 241 1HD LYS 31 2HD LYS 31 -6.716 -7.123 -1.923 242 2HD LYS 31 1HD LYS 31 -7.455 -8.101 -0.655 243 1HE LYS 31 2HE LYS 31 -8.889 -9.043 -2.703 244 2HE LYS 31 1HE LYS 31 -7.453 -8.535 -3.615 245 1HZ LYS 31 2HZ LYS 31 -6.104 -9.669 -1.869 246 2HZ LYS 31 1HZ LYS 31 -7.543 -10.329 -1.252 247 3HZ LYS 31 3HZ LYS 31 -7.035 -10.724 -2.820 248 H LEU 32 H LEU 32 -8.784 -2.273 -0.017 249 HA LEU 32 HA LEU 32 -9.519 -2.748 2.768 250 1HB LEU 32 2HB LEU 32 -7.561 -1.415 1.655 251 2HB LEU 32 1HB LEU 32 -8.745 -0.118 1.511 252 HG LEU 32 HG LEU 32 -9.091 -0.078 3.903 253 1HD1 LEU 32 1HD1 LEU 32 -7.468 -2.614 3.796 254 2HD1 LEU 32 3HD1 LEU 32 -7.520 -1.653 5.275 255 3HD1 LEU 32 2HD1 LEU 32 -9.009 -2.320 4.603 256 1HD2 LEU 32 1HD2 LEU 32 -6.236 -0.121 2.940 257 2HD2 LEU 32 3HD2 LEU 32 -7.231 1.264 3.389 258 3HD2 LEU 32 2HD2 LEU 32 -6.592 0.196 4.638 259 H GLU 33 H GLU 33 -10.616 -0.511 0.188 260 HA GLU 33 HA GLU 33 -12.766 0.633 1.741 261 1HB GLU 33 2HB GLU 33 -11.674 1.666 -0.243 262 2HB GLU 33 1HB GLU 33 -12.353 0.395 -1.262 263 1HG GLU 33 2HG GLU 33 -14.497 1.233 -1.122 264 2HG GLU 33 1HG GLU 33 -14.237 1.917 0.485 265 H ALA 34 H ALA 34 -12.368 -2.385 0.155 266 HA ALA 34 HA ALA 34 -15.274 -2.846 -0.207 267 1HB ALA 34 2HB ALA 34 -13.022 -3.661 -1.539 268 2HB ALA 34 1HB ALA 34 -13.301 -5.047 -0.483 269 3HB ALA 34 3HB ALA 34 -14.558 -4.525 -1.605 270 H VAL 35 H VAL 35 -12.581 -3.636 1.880 271 HA VAL 35 HA VAL 35 -13.817 -5.711 3.439 272 HB VAL 35 HB VAL 35 -11.492 -3.856 3.521 273 1HG1 VAL 35 1HG1 VAL 35 -12.513 -3.569 5.784 274 2HG1 VAL 35 3HG1 VAL 35 -12.383 -5.312 6.021 275 3HG1 VAL 35 2HG1 VAL 35 -10.927 -4.336 5.829 276 1HG2 VAL 35 1HG2 VAL 35 -11.409 -6.159 2.594 277 2HG2 VAL 35 3HG2 VAL 35 -10.292 -5.945 3.940 278 3HG2 VAL 35 2HG2 VAL 35 -11.818 -6.795 4.187 279 H ALA 36 H ALA 36 -13.665 -2.162 3.708 280 HA ALA 36 HA ALA 36 -15.068 -1.949 6.217 281 1HB ALA 36 3HB ALA 36 -13.942 -0.285 4.138 282 2HB ALA 36 2HB ALA 36 -15.532 0.329 4.587 283 3HB ALA 36 1HB ALA 36 -14.282 0.138 5.816 284 H LYS 37 H LYS 37 -16.059 -2.315 2.862 285 HA LYS 37 HA LYS 37 -18.851 -1.587 3.309 286 1HB LYS 37 2HB LYS 37 -17.059 -2.297 1.160 287 2HB LYS 37 1HB LYS 37 -18.529 -3.264 1.033 288 1HG LYS 37 2HG LYS 37 -19.844 -1.451 0.585 289 2HG LYS 37 1HG LYS 37 -18.935 -0.399 1.669 290 1HD LYS 37 2HD LYS 37 -17.172 -0.122 0.046 291 2HD LYS 37 1HD LYS 37 -17.875 -1.354 -1.002 292 1HE LYS 37 2HE LYS 37 -19.717 0.035 -1.588 293 2HE LYS 37 1HE LYS 37 -19.398 1.155 -0.248 294 1HZ LYS 37 3HZ LYS 37 -17.489 0.612 -2.459 295 2HZ LYS 37 2HZ LYS 37 -18.535 1.950 -2.418 296 3HZ LYS 37 1HZ LYS 37 -17.327 1.776 -1.236 297 H ARG 38 H ARG 38 -16.933 -4.490 3.639 298 HA ARG 38 HA ARG 38 -19.257 -6.286 3.724 299 1HB ARG 38 2HB ARG 38 -16.331 -6.648 4.471 300 2HB ARG 38 1HB ARG 38 -17.499 -7.943 4.222 301 1HG ARG 38 2HG ARG 38 -17.088 -5.934 2.041 302 2HG ARG 38 1HG ARG 38 -15.897 -7.218 2.254 303 1HD ARG 38 2HD ARG 38 -18.570 -8.320 2.419 304 2HD ARG 38 1HD ARG 38 -18.360 -7.430 0.898 305 HE ARG 38 HE ARG 38 -15.990 -8.911 1.300 306 1HH1 ARG 38 2HH1 ARG 38 -17.656 -11.078 2.323 307 2HH1 ARG 38 1HH1 ARG 38 -18.203 -11.883 0.890 308 1HH2 ARG 38 1HH2 ARG 38 -17.419 -9.242 -1.210 309 2HH2 ARG 38 2HH2 ARG 38 -18.074 -10.843 -1.108 310 H ILE 39 H ILE 39 -17.110 -4.566 5.907 311 HA ILE 39 HA ILE 39 -17.851 -5.783 8.384 312 HB ILE 39 HB ILE 39 -16.780 -3.123 7.452 313 1HG1 ILE 39 2HG1 ILE 39 -15.457 -5.350 7.597 314 2HG1 ILE 39 1HG1 ILE 39 -14.727 -3.911 8.305 315 1HG2 ILE 39 3HG2 ILE 39 -17.713 -3.872 10.209 316 2HG2 ILE 39 2HG2 ILE 39 -16.334 -2.791 10.009 317 3HG2 ILE 39 1HG2 ILE 39 -17.905 -2.346 9.346 318 1HD1 ILE 39 3HD1 ILE 39 -16.484 -5.503 10.096 319 2HD1 ILE 39 2HD1 ILE 39 -14.951 -6.247 9.644 320 3HD1 ILE 39 1HD1 ILE 39 -14.966 -4.679 10.450 321 H GLU 40 H GLU 40 -19.157 -2.974 6.611 322 HA GLU 40 HA GLU 40 -21.196 -2.332 8.534 323 1HB GLU 40 2HB GLU 40 -21.878 -0.805 6.882 324 2HB GLU 40 1HB GLU 40 -20.190 -1.065 6.450 325 1HG GLU 40 2HG GLU 40 -21.204 -1.367 4.386 326 2HG GLU 40 1HG GLU 40 -21.202 -3.023 4.985 327 H ALA 41 H ALA 41 -20.936 -4.617 5.876 328 HA ALA 41 HA ALA 41 -23.675 -5.362 5.589 329 1HB ALA 41 1HB ALA 41 -21.209 -6.094 4.565 330 2HB ALA 41 3HB ALA 41 -21.677 -7.531 5.472 331 3HB ALA 41 2HB ALA 41 -22.726 -6.913 4.196 332 H LEU 42 H LEU 42 -21.167 -6.307 7.892 333 HA LEU 42 HA LEU 42 -22.826 -8.283 9.273 334 1HB LEU 42 2HB LEU 42 -20.205 -6.856 9.809 335 2HB LEU 42 1HB LEU 42 -20.887 -7.997 10.956 336 HG LEU 42 HG LEU 42 -19.652 -9.523 9.804 337 1HD1 LEU 42 2HD1 LEU 42 -21.963 -10.133 9.152 338 2HD1 LEU 42 1HD1 LEU 42 -21.810 -9.127 7.711 339 3HD1 LEU 42 3HD1 LEU 42 -20.798 -10.560 7.898 340 1HD2 LEU 42 3HD2 LEU 42 -19.112 -7.267 8.255 341 2HD2 LEU 42 2HD2 LEU 42 -18.290 -8.825 8.160 342 3HD2 LEU 42 1HD2 LEU 42 -19.651 -8.480 7.093 343 H GLU 43 H GLU 43 -22.077 -4.855 9.569 344 HA GLU 43 HA GLU 43 -23.188 -4.474 12.212 345 1HB GLU 43 2HB GLU 43 -22.810 -2.598 9.853 346 2HB GLU 43 1HB GLU 43 -23.046 -2.099 11.528 347 1HG GLU 43 2HG GLU 43 -20.986 -3.933 11.709 348 2HG GLU 43 1HG GLU 43 -20.632 -3.078 10.208 349 H ASN 44 H ASN 44 -24.541 -4.904 9.075 350 HA ASN 44 HA ASN 44 -27.062 -3.529 9.510 351 1HB ASN 44 2HB ASN 44 -26.194 -5.746 7.619 352 2HB ASN 44 1HB ASN 44 -27.683 -4.817 7.461 353 1HD2 ASN 44 2HD2 ASN 44 -25.279 -1.810 7.103 354 2HD2 ASN 44 1HD2 ASN 44 -26.145 -2.324 8.467 355 H LYS 45 H LYS 45 -25.723 -6.603 10.403 356 HA LYS 45 HA LYS 45 -28.431 -7.581 11.236 357 1HB LYS 45 2HB LYS 45 -25.828 -8.915 10.462 358 2HB LYS 45 1HB LYS 45 -27.110 -9.800 11.287 359 1HG LYS 45 2HG LYS 45 -27.309 -10.077 8.851 360 2HG LYS 45 1HG LYS 45 -28.689 -9.180 9.484 361 1HD LYS 45 2HD LYS 45 -28.047 -7.215 8.483 362 2HD LYS 45 1HD LYS 45 -26.328 -7.577 8.643 363 1HE LYS 45 2HE LYS 45 -26.605 -7.843 6.341 364 2HE LYS 45 1HE LYS 45 -26.928 -9.499 6.889 365 1HZ LYS 45 3HZ LYS 45 -29.299 -8.801 7.149 366 2HZ LYS 45 2HZ LYS 45 -28.910 -7.361 6.333 367 3HZ LYS 45 1HZ LYS 45 -28.758 -8.858 5.543 368 H ILE 46 H ILE 46 -25.353 -6.462 12.349 369 HA ILE 46 HA ILE 46 -25.713 -7.720 15.019 370 HB ILE 46 HB ILE 46 -23.514 -6.048 13.757 371 1HG1 ILE 46 2HG1 ILE 46 -23.102 -8.104 12.808 372 2HG1 ILE 46 1HG1 ILE 46 -22.375 -8.431 14.376 373 1HG2 ILE 46 1HG2 ILE 46 -24.067 -6.781 16.536 374 2HG2 ILE 46 3HG2 ILE 46 -22.475 -7.313 15.995 375 3HG2 ILE 46 2HG2 ILE 46 -22.917 -5.609 15.891 376 1HD1 ILE 46 1HD1 ILE 46 -25.260 -9.059 13.676 377 2HD1 ILE 46 3HD1 ILE 46 -23.946 -10.234 13.632 378 3HD1 ILE 46 2HD1 ILE 46 -24.418 -9.497 15.162 379 H ILE 47 HN ILE 47 -26.282 -4.741 13.339 380 HA ILE 47 HA ILE 47 -26.169 -2.987 15.658 381 HB ILE 47 HB ILE 47 -26.035 -2.316 13.232 382 1HG1 ILE 47 2HG1 ILE 47 -28.336 -0.736 14.018 383 2HG1 ILE 47 1HG1 ILE 47 -27.288 -1.033 15.404 384 1HG2 ILE 47 3HG2 ILE 47 -28.554 -3.716 13.192 385 2HG2 ILE 47 2HG2 ILE 47 -28.804 -2.045 12.684 386 3HG2 ILE 47 1HG2 ILE 47 -27.638 -3.060 11.835 387 1HD1 ILE 47 3HD1 ILE 47 -25.347 -0.217 14.116 388 2HD1 ILE 47 2HD1 ILE 47 -26.394 0.087 12.731 389 3HD1 ILE 47 1HD1 ILE 47 -26.604 1.016 14.215 390 1H GLY 1 1H GLY 1 5.793 27.029 -12.269 391 2H GLY 1 3H GLY 1 5.955 25.589 -11.386 392 3H GLY 1 2H GLY 1 6.179 27.088 -10.616 393 1HA GLY 1 2HA GLY 1 8.346 26.507 -10.928 394 2HA GLY 1 1HA GLY 1 7.976 25.625 -12.411 395 H SER 2 H SER 2 8.859 28.697 -11.084 396 HA SER 2 HA SER 2 8.458 30.082 -13.687 397 1HB SER 2 2HB SER 2 8.465 30.749 -10.899 398 2HB SER 2 1HB SER 2 9.724 31.690 -11.693 399 HG SER 2 HG SER 2 8.250 32.681 -12.883 400 H HIS 3 H HIS 3 10.916 28.496 -11.854 401 HA HIS 3 HA HIS 3 13.108 29.888 -13.311 402 1HB HIS 3 2HB HIS 3 12.754 28.941 -10.721 403 2HB HIS 3 1HB HIS 3 13.780 27.713 -11.462 404 HD1 HIS 3 HD1 HIS 3 16.168 28.249 -11.019 405 HD2 HIS 3 HD2 HIS 3 13.937 31.700 -11.717 406 HE1 HIS 3 HE1 HIS 3 17.800 30.185 -10.945 407 H MET 4 H MET 4 14.597 28.670 -14.609 408 HA MET 4 HA MET 4 13.413 26.346 -15.962 409 1HB MET 4 2HB MET 4 15.162 28.467 -16.549 410 2HB MET 4 1HB MET 4 16.157 27.013 -16.651 411 1HG MET 4 2HG MET 4 15.213 27.285 -18.824 412 2HG MET 4 1HG MET 4 14.277 26.001 -18.062 413 1HE MET 4 3HE MET 4 14.587 29.685 -18.946 414 2HE MET 4 2HE MET 4 13.936 28.800 -20.324 415 3HE MET 4 1HE MET 4 12.961 30.044 -19.545 416 H GLU 5 H GLU 5 13.503 24.826 -14.109 417 HA GLU 5 HA GLU 5 16.114 24.083 -13.000 418 1HB GLU 5 2HB GLU 5 13.398 23.866 -12.325 419 2HB GLU 5 1HB GLU 5 13.927 22.205 -12.599 420 1HG GLU 5 2HG GLU 5 15.798 22.518 -11.047 421 2HG GLU 5 1HG GLU 5 15.338 24.203 -10.805 422 H GLU 6 H GLU 6 16.358 21.457 -12.983 423 HA GLU 6 HA GLU 6 16.264 20.611 -15.863 424 1HB GLU 6 2HB GLU 6 18.413 21.047 -14.136 425 2HB GLU 6 1HB GLU 6 18.221 19.294 -14.139 426 1HG GLU 6 2HG GLU 6 18.187 19.361 -16.647 427 2HG GLU 6 1HG GLU 6 18.562 21.083 -16.561 428 H ASP 7 H ASP 7 16.481 18.068 -15.945 429 HA ASP 7 HA ASP 7 15.543 16.464 -13.788 430 1HB ASP 7 2HB ASP 7 13.581 18.063 -14.419 431 2HB ASP 7 1HB ASP 7 13.396 17.017 -15.827 432 HA PRO 8 HA PRO 8 16.986 14.383 -17.691 433 1HB PRO 8 2HB PRO 8 19.196 13.190 -16.598 434 2HB PRO 8 1HB PRO 8 19.224 14.814 -17.313 435 1HG PRO 8 2HG PRO 8 19.139 14.006 -14.456 436 2HG PRO 8 1HG PRO 8 19.966 15.369 -15.222 437 1HD PRO 8 2HD PRO 8 17.607 15.580 -13.833 438 2HD PRO 8 1HD PRO 8 18.135 16.720 -15.089 439 H CYS 9 H CYS 9 17.656 12.870 -14.497 440 HA CYS 9 HA CYS 9 16.007 10.527 -15.385 441 1HB CYS 9 2HB CYS 9 18.519 10.910 -13.793 442 2HB CYS 9 1HB CYS 9 17.493 9.522 -13.416 443 H GLU 10 H GLU 10 14.873 12.927 -14.165 444 HA GLU 10 HA GLU 10 13.541 13.591 -12.324 445 1HB GLU 10 2HB GLU 10 13.177 10.597 -12.602 446 2HB GLU 10 1HB GLU 10 12.158 11.587 -11.555 447 1HG GLU 10 2HG GLU 10 11.100 12.610 -13.316 448 2HG GLU 10 1HG GLU 10 12.530 12.547 -14.346 449 H CYS 11 H CYS 11 16.206 13.433 -11.481 450 HA CYS 11 HA CYS 11 16.880 11.692 -9.404 451 1HB CYS 11 2HB CYS 11 17.476 14.509 -10.175 452 2HB CYS 11 1HB CYS 11 17.983 13.995 -8.561 453 H LYS 12 H LYS 12 14.578 14.332 -9.412 454 HA LYS 12 HA LYS 12 14.038 13.820 -6.503 455 1HB LYS 12 2HB LYS 12 13.548 16.348 -8.105 456 2HB LYS 12 1HB LYS 12 13.475 16.169 -6.352 457 1HG LYS 12 2HG LYS 12 15.622 16.921 -6.419 458 2HG LYS 12 1HG LYS 12 15.998 15.256 -6.865 459 1HD LYS 12 2HD LYS 12 15.833 15.842 -9.248 460 2HD LYS 12 1HD LYS 12 15.425 17.504 -8.819 461 1HE LYS 12 2HE LYS 12 17.726 17.172 -7.383 462 2HE LYS 12 1HE LYS 12 18.061 16.163 -8.804 463 1HZ LYS 12 3HZ LYS 12 16.823 18.823 -9.103 464 2HZ LYS 12 2HZ LYS 12 18.509 18.675 -8.967 465 3HZ LYS 12 1HZ LYS 12 17.687 17.919 -10.247 466 H SER 13 H SER 13 12.824 13.701 -9.695 467 HA SER 13 HA SER 13 9.990 14.076 -9.049 468 1HB SER 13 2HB SER 13 11.719 13.392 -11.380 469 2HB SER 13 1HB SER 13 10.030 12.903 -11.477 470 HG SER 13 HG SER 13 9.470 15.075 -11.030 471 H ILE 14 H ILE 14 12.248 11.417 -9.225 472 HA ILE 14 HA ILE 14 10.228 9.297 -9.215 473 HB ILE 14 HB ILE 14 13.229 9.523 -8.891 474 1HG1 ILE 14 2HG1 ILE 14 11.650 8.083 -11.011 475 2HG1 ILE 14 1HG1 ILE 14 11.968 9.811 -11.121 476 1HG2 ILE 14 3HG2 ILE 14 12.277 7.600 -7.536 477 2HG2 ILE 14 2HG2 ILE 14 11.666 6.933 -9.049 478 3HG2 ILE 14 1HG2 ILE 14 13.401 7.126 -8.810 479 1HD1 ILE 14 3HD1 ILE 14 14.418 9.301 -10.819 480 2HD1 ILE 14 2HD1 ILE 14 14.018 7.590 -10.964 481 3HD1 ILE 14 1HD1 ILE 14 13.730 8.681 -12.320 482 H VAL 15 H VAL 15 12.519 10.723 -6.920 483 HA VAL 15 HA VAL 15 11.566 9.114 -4.675 484 HB VAL 15 HB VAL 15 13.078 11.670 -4.271 485 1HG1 VAL 15 3HG1 VAL 15 13.136 8.825 -3.275 486 2HG1 VAL 15 2HG1 VAL 15 14.512 9.894 -3.003 487 3HG1 VAL 15 1HG1 VAL 15 12.928 10.314 -2.352 488 1HG2 VAL 15 3HG2 VAL 15 14.047 9.344 -5.943 489 2HG2 VAL 15 2HG2 VAL 15 14.207 11.069 -6.268 490 3HG2 VAL 15 1HG2 VAL 15 15.181 10.318 -5.008 491 H LYS 16 H LYS 16 10.603 11.987 -6.295 492 HA LYS 16 HA LYS 16 9.187 13.250 -4.074 493 1HB LYS 16 2HB LYS 16 9.749 14.679 -5.875 494 2HB LYS 16 1HB LYS 16 9.289 13.481 -7.085 495 1HG LYS 16 2HG LYS 16 7.677 15.437 -6.801 496 2HG LYS 16 1HG LYS 16 6.958 13.832 -6.683 497 1HD LYS 16 2HD LYS 16 6.461 14.076 -4.474 498 2HD LYS 16 1HD LYS 16 7.966 14.929 -4.131 499 1HE LYS 16 2HE LYS 16 6.990 16.972 -4.391 500 2HE LYS 16 1HE LYS 16 6.103 16.455 -5.840 501 1HZ LYS 16 2HZ LYS 16 5.347 15.223 -3.303 502 2HZ LYS 16 1HZ LYS 16 4.893 16.845 -3.524 503 3HZ LYS 16 3HZ LYS 16 4.376 15.663 -4.625 504 H PHE 17 H PHE 17 8.388 11.135 -6.815 505 HA PHE 17 HA PHE 17 5.588 10.830 -6.239 506 1HB PHE 17 2HB PHE 17 6.192 10.084 -8.358 507 2HB PHE 17 1HB PHE 17 7.742 9.453 -7.803 508 HD1 PHE 17 HD1 PHE 17 7.789 7.311 -6.460 509 HD2 PHE 17 HD2 PHE 17 4.270 8.682 -8.506 510 HE1 PHE 17 HE1 PHE 17 6.820 5.035 -6.314 511 HE2 PHE 17 HE2 PHE 17 3.302 6.407 -8.362 512 HZ PHE 17 HZ PHE 17 4.574 4.580 -7.268 513 H GLN 18 H GLN 18 8.546 9.349 -5.021 514 HA GLN 18 HA GLN 18 7.433 7.092 -3.673 515 1HB GLN 18 2HB GLN 18 9.851 8.836 -3.466 516 2HB GLN 18 1HB GLN 18 9.521 7.743 -2.122 517 1HG GLN 18 2HG GLN 18 9.334 5.865 -3.784 518 2HG GLN 18 1HG GLN 18 9.868 6.988 -5.036 519 1HE2 GLN 18 2HE2 GLN 18 13.082 5.675 -4.130 520 2HE2 GLN 18 1HE2 GLN 18 11.803 5.492 -5.228 521 H THR 19 H THR 19 7.931 10.454 -2.596 522 HA THR 19 HA THR 19 7.008 10.178 0.083 523 HB THR 19 HB THR 19 6.944 12.407 -1.969 524 HG1 THR 19 HG1 THR 19 8.920 11.550 -0.926 525 1HG2 THR 19 3HG2 THR 19 5.908 12.345 0.854 526 2HG2 THR 19 2HG2 THR 19 6.584 13.834 0.192 527 3HG2 THR 19 1HG2 THR 19 5.187 13.082 -0.578 528 H LYS 20 H LYS 20 5.254 10.544 -2.979 529 HA LYS 20 HA LYS 20 2.636 10.938 -1.818 530 1HB LYS 20 2HB LYS 20 3.692 9.917 -4.474 531 2HB LYS 20 1HB LYS 20 1.970 10.144 -4.166 532 1HG LYS 20 2HG LYS 20 2.590 12.535 -3.446 533 2HG LYS 20 1HG LYS 20 4.146 12.234 -4.217 534 1HD LYS 20 2HD LYS 20 3.268 12.306 -6.320 535 2HD LYS 20 1HD LYS 20 1.780 11.493 -5.832 536 1HE LYS 20 2HE LYS 20 2.411 14.367 -5.086 537 2HE LYS 20 1HE LYS 20 1.445 13.912 -6.505 538 1HZ LYS 20 1HZ LYS 20 0.763 12.566 -4.024 539 2HZ LYS 20 3HZ LYS 20 0.404 14.223 -4.066 540 3HZ LYS 20 2HZ LYS 20 -0.252 13.184 -5.238 541 H VAL 21 H VAL 21 4.645 8.189 -2.617 542 HA VAL 21 HA VAL 21 2.578 6.169 -2.146 543 HB VAL 21 HB VAL 21 5.514 6.328 -2.752 544 1HG1 VAL 21 1HG1 VAL 21 4.122 4.045 -1.399 545 2HG1 VAL 21 3HG1 VAL 21 5.339 3.688 -2.623 546 3HG1 VAL 21 2HG1 VAL 21 5.774 4.625 -1.194 547 1HG2 VAL 21 2HG2 VAL 21 3.404 6.140 -4.356 548 2HG2 VAL 21 1HG2 VAL 21 4.903 5.292 -4.735 549 3HG2 VAL 21 3HG2 VAL 21 3.562 4.423 -3.988 550 H GLU 22 H GLU 22 4.741 8.071 -0.257 551 HA GLU 22 HA GLU 22 5.024 6.264 2.006 552 1HB GLU 22 2HB GLU 22 5.612 9.101 1.268 553 2HB GLU 22 1HB GLU 22 5.571 8.713 2.985 554 1HG GLU 22 2HG GLU 22 7.089 6.879 1.177 555 2HG GLU 22 1HG GLU 22 7.810 8.443 1.561 556 H GLU 23 H GLU 23 2.998 9.118 1.288 557 HA GLU 23 HA GLU 23 1.479 8.941 3.764 558 1HB GLU 23 2HB GLU 23 0.750 10.291 1.148 559 2HB GLU 23 1HB GLU 23 0.243 10.758 2.773 560 1HG GLU 23 2HG GLU 23 3.087 10.665 2.777 561 2HG GLU 23 1HG GLU 23 2.595 11.568 1.343 562 H LEU 24 H LEU 24 1.170 7.655 0.500 563 HA LEU 24 HA LEU 24 -1.592 6.823 0.689 564 1HB LEU 24 2HB LEU 24 0.161 7.101 -1.297 565 2HB LEU 24 1HB LEU 24 0.460 5.395 -0.966 566 HG LEU 24 HG LEU 24 -1.260 5.483 -2.640 567 1HD1 LEU 24 3HD1 LEU 24 -1.550 4.023 -0.481 568 2HD1 LEU 24 2HD1 LEU 24 -2.875 5.132 -0.127 569 3HD1 LEU 24 1HD1 LEU 24 -2.899 4.172 -1.607 570 1HD2 LEU 24 1HD2 LEU 24 -2.152 7.777 -1.015 571 2HD2 LEU 24 3HD2 LEU 24 -2.340 7.481 -2.744 572 3HD2 LEU 24 2HD2 LEU 24 -3.462 6.751 -1.598 573 H ILE 25 H ILE 25 1.510 5.092 1.133 574 HA ILE 25 HA ILE 25 0.397 2.562 1.839 575 HB ILE 25 HB ILE 25 2.964 3.989 1.879 576 1HG1 ILE 25 2HG1 ILE 25 3.760 1.948 0.943 577 2HG1 ILE 25 1HG1 ILE 25 2.432 1.023 1.642 578 1HG2 ILE 25 2HG2 ILE 25 2.368 1.930 4.016 579 2HG2 ILE 25 1HG2 ILE 25 4.006 2.250 3.442 580 3HG2 ILE 25 3HG2 ILE 25 3.078 3.532 4.222 581 1HD1 ILE 25 1HD1 ILE 25 1.598 3.244 -0.118 582 2HD1 ILE 25 3HD1 ILE 25 2.465 1.943 -0.932 583 3HD1 ILE 25 2HD1 ILE 25 0.992 1.591 -0.028 584 H ASN 26 H ASN 26 1.123 5.458 3.783 585 HA ASN 26 HA ASN 26 0.649 4.258 6.360 586 1HB ASN 26 2HB ASN 26 1.699 6.553 5.548 587 2HB ASN 26 1HB ASN 26 0.043 7.130 5.727 588 1HD2 ASN 26 2HD2 ASN 26 2.146 6.007 9.073 589 2HD2 ASN 26 1HD2 ASN 26 2.673 5.497 7.543 590 H THR 27 H THR 27 -1.410 5.993 4.062 591 HA THR 27 HA THR 27 -3.811 6.040 5.620 592 HB THR 27 HB THR 27 -3.211 6.012 2.646 593 HG1 THR 27 HG1 THR 27 -3.310 7.901 4.663 594 1HG2 THR 27 3HG2 THR 27 -5.788 6.336 4.157 595 2HG2 THR 27 2HG2 THR 27 -5.549 7.181 2.628 596 3HG2 THR 27 1HG2 THR 27 -5.472 5.419 2.685 597 H LEU 28 H LEU 28 -2.338 3.577 3.553 598 HA LEU 28 HA LEU 28 -4.677 1.858 3.411 599 1HB LEU 28 2HB LEU 28 -1.719 1.645 2.871 600 2HB LEU 28 1HB LEU 28 -2.729 0.200 2.804 601 HG LEU 28 HG LEU 28 -3.746 2.595 1.366 602 1HD1 LEU 28 2HD1 LEU 28 -1.313 2.582 0.825 603 2HD1 LEU 28 1HD1 LEU 28 -1.463 0.904 0.300 604 3HD1 LEU 28 3HD1 LEU 28 -2.310 2.182 -0.574 605 1HD2 LEU 28 2HD2 LEU 28 -4.114 -0.268 1.439 606 2HD2 LEU 28 1HD2 LEU 28 -5.094 0.950 0.622 607 3HD2 LEU 28 3HD2 LEU 28 -3.707 0.235 -0.202 608 H GLN 29 H GLN 29 -1.705 1.859 5.383 609 HA GLN 29 HA GLN 29 -2.408 -0.455 6.961 610 1HB GLN 29 2HB GLN 29 -0.169 0.896 6.488 611 2HB GLN 29 1HB GLN 29 -0.665 1.790 7.923 612 1HG GLN 29 2HG GLN 29 -0.978 -1.061 8.343 613 2HG GLN 29 1HG GLN 29 0.677 -0.679 7.865 614 1HE2 GLN 29 2HE2 GLN 29 -0.040 -0.144 11.627 615 2HE2 GLN 29 1HE2 GLN 29 -0.588 -1.381 10.602 616 H GLN 30 H GLN 30 -3.497 2.775 6.872 617 HA GLN 30 HA GLN 30 -4.259 3.007 9.696 618 1HB GLN 30 2HB GLN 30 -4.603 4.557 7.133 619 2HB GLN 30 1HB GLN 30 -5.494 5.029 8.579 620 1HG GLN 30 2HG GLN 30 -2.689 4.486 9.150 621 2HG GLN 30 1HG GLN 30 -2.888 5.764 7.954 622 1HE2 GLN 30 2HE2 GLN 30 -4.201 6.375 11.792 623 2HE2 GLN 30 1HE2 GLN 30 -3.824 4.805 11.270 624 H LYS 31 H LYS 31 -6.001 2.758 6.585 625 HA LYS 31 HA LYS 31 -8.600 2.318 7.757 626 1HB LYS 31 2HB LYS 31 -7.289 2.390 5.160 627 2HB LYS 31 1HB LYS 31 -8.473 1.086 5.228 628 1HG LYS 31 2HG LYS 31 -10.215 2.629 5.928 629 2HG LYS 31 1HG LYS 31 -9.048 3.947 6.041 630 1HD LYS 31 2HD LYS 31 -8.558 3.546 3.567 631 2HD LYS 31 1HD LYS 31 -9.992 2.518 3.550 632 1HE LYS 31 2HE LYS 31 -11.090 4.655 4.731 633 2HE LYS 31 1HE LYS 31 -9.800 5.486 3.838 634 1HZ LYS 31 2HZ LYS 31 -10.486 4.075 1.884 635 2HZ LYS 31 1HZ LYS 31 -11.886 3.674 2.760 636 3HZ LYS 31 3HZ LYS 31 -11.587 5.289 2.333 637 H LEU 32 H LEU 32 -5.828 0.316 7.231 638 HA LEU 32 HA LEU 32 -7.202 -2.254 7.283 639 1HB LEU 32 2HB LEU 32 -4.867 -1.469 6.349 640 2HB LEU 32 1HB LEU 32 -4.320 -1.753 8.001 641 HG LEU 32 HG LEU 32 -4.983 -4.062 7.911 642 1HD1 LEU 32 1HD1 LEU 32 -6.401 -3.171 5.416 643 2HD1 LEU 32 3HD1 LEU 32 -5.897 -4.854 5.574 644 3HD1 LEU 32 2HD1 LEU 32 -7.011 -4.152 6.749 645 1HD2 LEU 32 1HD2 LEU 32 -3.478 -3.025 5.515 646 2HD2 LEU 32 3HD2 LEU 32 -2.852 -3.857 6.940 647 3HD2 LEU 32 2HD2 LEU 32 -3.751 -4.756 5.717 648 H GLU 33 H GLU 33 -5.275 -0.354 9.627 649 HA GLU 33 HA GLU 33 -5.628 -2.210 11.814 650 1HB GLU 33 2HB GLU 33 -3.814 -0.517 11.587 651 2HB GLU 33 1HB GLU 33 -5.011 0.766 11.768 652 1HG GLU 33 2HG GLU 33 -5.299 0.371 14.018 653 2HG GLU 33 1HG GLU 33 -4.957 -1.353 13.866 654 H ALA 34 H ALA 34 -7.676 0.131 10.349 655 HA ALA 34 HA ALA 34 -9.377 0.492 12.751 656 1HB ALA 34 2HB ALA 34 -8.762 2.229 10.897 657 2HB ALA 34 1HB ALA 34 -9.952 1.374 9.915 658 3HB ALA 34 3HB ALA 34 -10.444 2.151 11.421 659 H VAL 35 H VAL 35 -9.241 -1.180 9.674 660 HA VAL 35 HA VAL 35 -11.914 -2.207 9.580 661 HB VAL 35 HB VAL 35 -9.234 -2.701 8.379 662 1HG1 VAL 35 1HG1 VAL 35 -10.015 -4.995 9.040 663 2HG1 VAL 35 3HG1 VAL 35 -11.457 -4.730 8.060 664 3HG1 VAL 35 2HG1 VAL 35 -9.866 -4.769 7.299 665 1HG2 VAL 35 2HG2 VAL 35 -12.046 -2.488 7.268 666 2HG2 VAL 35 1HG2 VAL 35 -10.872 -1.176 7.367 667 3HG2 VAL 35 3HG2 VAL 35 -10.572 -2.550 6.303 668 H ALA 36 H ALA 36 -8.888 -3.388 11.045 669 HA ALA 36 HA ALA 36 -9.963 -5.910 11.961 670 1HB ALA 36 3HB ALA 36 -7.521 -4.387 12.006 671 2HB ALA 36 2HB ALA 36 -7.856 -4.974 13.636 672 3HB ALA 36 1HB ALA 36 -7.735 -6.113 12.296 673 H LYS 37 H LYS 37 -9.983 -2.617 13.173 674 HA LYS 37 HA LYS 37 -10.778 -3.322 15.894 675 1HB LYS 37 2HB LYS 37 -10.079 -0.994 14.315 676 2HB LYS 37 1HB LYS 37 -11.543 -0.670 15.246 677 1HG LYS 37 2HG LYS 37 -10.462 -0.818 17.262 678 2HG LYS 37 1HG LYS 37 -9.351 -2.063 16.691 679 1HD LYS 37 2HD LYS 37 -7.997 -0.450 15.537 680 2HD LYS 37 1HD LYS 37 -9.197 0.820 15.781 681 1HE LYS 37 2HE LYS 37 -8.723 0.985 18.100 682 2HE LYS 37 1HE LYS 37 -7.894 -0.584 18.125 683 1HZ LYS 37 1HZ LYS 37 -6.240 0.323 16.591 684 2HZ LYS 37 3HZ LYS 37 -7.006 1.835 16.640 685 3HZ LYS 37 2HZ LYS 37 -6.280 1.207 18.041 686 H ARG 38 H ARG 38 -12.408 -2.797 12.845 687 HA ARG 38 HA ARG 38 -15.060 -2.480 14.074 688 1HB ARG 38 2HB ARG 38 -14.179 -3.005 11.213 689 2HB ARG 38 1HB ARG 38 -15.763 -2.426 11.723 690 1HG ARG 38 2HG ARG 38 -13.353 -0.887 12.593 691 2HG ARG 38 1HG ARG 38 -13.894 -0.721 10.922 692 1HD ARG 38 2HD ARG 38 -16.157 -0.596 12.747 693 2HD ARG 38 1HD ARG 38 -14.947 0.643 13.137 694 HE ARG 38 HE ARG 38 -15.171 0.622 10.330 695 1HH1 ARG 38 2HH1 ARG 38 -18.057 0.140 10.763 696 2HH1 ARG 38 1HH1 ARG 38 -18.686 1.739 10.979 697 1HH2 ARG 38 1HH2 ARG 38 -15.592 3.162 11.620 698 2HH2 ARG 38 2HH2 ARG 38 -17.294 3.447 11.469 699 H ILE 39 H ILE 39 -13.040 -4.972 12.637 700 HA ILE 39 HA ILE 39 -15.002 -7.042 12.344 701 HB ILE 39 HB ILE 39 -12.012 -6.895 12.743 702 1HG1 ILE 39 2HG1 ILE 39 -13.337 -6.308 10.564 703 2HG1 ILE 39 1HG1 ILE 39 -11.900 -7.319 10.437 704 1HG2 ILE 39 3HG2 ILE 39 -13.787 -9.275 12.916 705 2HG2 ILE 39 2HG2 ILE 39 -12.335 -9.451 11.932 706 3HG2 ILE 39 1HG2 ILE 39 -12.199 -9.001 13.631 707 1HD1 ILE 39 3HD1 ILE 39 -14.446 -8.759 10.924 708 2HD1 ILE 39 2HD1 ILE 39 -14.283 -7.993 9.343 709 3HD1 ILE 39 1HD1 ILE 39 -13.094 -9.183 9.873 710 H GLU 40 H GLU 40 -12.830 -6.135 15.026 711 HA GLU 40 HA GLU 40 -13.681 -8.220 16.823 712 1HB GLU 40 2HB GLU 40 -12.326 -7.064 18.355 713 2HB GLU 40 1HB GLU 40 -11.655 -6.520 16.821 714 1HG GLU 40 2HG GLU 40 -11.932 -4.490 17.916 715 2HG GLU 40 1HG GLU 40 -13.469 -4.612 17.064 716 H ALA 41 H ALA 41 -14.886 -5.037 15.959 717 HA ALA 41 HA ALA 41 -16.753 -4.595 18.062 718 1HB ALA 41 1HB ALA 41 -15.981 -3.438 15.641 719 2HB ALA 41 3HB ALA 41 -17.674 -3.860 15.380 720 3HB ALA 41 2HB ALA 41 -17.223 -2.813 16.726 721 H LEU 42 H LEU 42 -16.922 -6.494 15.086 722 HA LEU 42 HA LEU 42 -19.697 -7.327 15.449 723 1HB LEU 42 2HB LEU 42 -17.353 -8.156 13.717 724 2HB LEU 42 1HB LEU 42 -18.890 -9.000 13.634 725 HG LEU 42 HG LEU 42 -19.379 -7.474 12.021 726 1HD1 LEU 42 2HD1 LEU 42 -20.836 -6.724 13.879 727 2HD1 LEU 42 1HD1 LEU 42 -19.586 -5.588 14.388 728 3HD1 LEU 42 3HD1 LEU 42 -20.382 -5.382 12.828 729 1HD2 LEU 42 3HD2 LEU 42 -16.850 -6.582 12.695 730 2HD2 LEU 42 2HD2 LEU 42 -17.824 -5.983 11.353 731 3HD2 LEU 42 1HD2 LEU 42 -17.847 -5.143 12.904 732 H GLU 43 H GLU 43 -16.495 -8.590 16.225 733 HA GLU 43 HA GLU 43 -17.314 -11.242 17.002 734 1HB GLU 43 2HB GLU 43 -14.982 -9.472 17.812 735 2HB GLU 43 1HB GLU 43 -15.061 -11.216 18.067 736 1HG GLU 43 2HG GLU 43 -15.718 -10.966 15.404 737 2HG GLU 43 1HG GLU 43 -14.493 -9.717 15.617 738 H ASN 44 H ASN 44 -17.637 -8.158 18.454 739 HA ASN 44 HA ASN 44 -17.719 -9.004 21.235 740 1HB ASN 44 2HB ASN 44 -18.788 -6.575 19.757 741 2HB ASN 44 1HB ASN 44 -18.637 -6.701 21.509 742 1HD2 ASN 44 2HD2 ASN 44 -14.901 -7.048 20.993 743 2HD2 ASN 44 1HD2 ASN 44 -16.092 -8.132 21.528 744 H LYS 45 H LYS 45 -19.939 -8.981 18.562 745 HA LYS 45 HA LYS 45 -22.212 -9.624 20.408 746 1HB LYS 45 2HB LYS 45 -21.997 -8.458 17.619 747 2HB LYS 45 1HB LYS 45 -23.530 -9.038 18.271 748 1HG LYS 45 2HG LYS 45 -23.284 -6.616 18.655 749 2HG LYS 45 1HG LYS 45 -23.299 -7.493 20.187 750 1HD LYS 45 2HD LYS 45 -21.073 -7.079 20.606 751 2HD LYS 45 1HD LYS 45 -20.647 -7.047 18.893 752 1HE LYS 45 2HE LYS 45 -20.476 -4.773 19.473 753 2HE LYS 45 1HE LYS 45 -22.146 -4.858 18.880 754 1HZ LYS 45 3HZ LYS 45 -22.849 -5.362 21.173 755 2HZ LYS 45 2HZ LYS 45 -21.255 -5.112 21.704 756 3HZ LYS 45 1HZ LYS 45 -22.143 -3.826 21.037 757 H ILE 46 H ILE 46 -20.044 -10.897 18.053 758 HA ILE 46 HA ILE 46 -21.858 -13.153 17.366 759 HB ILE 46 HB ILE 46 -19.108 -12.287 16.413 760 1HG1 ILE 46 2HG1 ILE 46 -20.418 -10.809 15.245 761 2HG1 ILE 46 1HG1 ILE 46 -20.734 -12.209 14.228 762 1HG2 ILE 46 1HG2 ILE 46 -20.325 -14.837 16.277 763 2HG2 ILE 46 3HG2 ILE 46 -20.458 -14.133 14.665 764 3HG2 ILE 46 2HG2 ILE 46 -18.877 -14.292 15.431 765 1HD1 ILE 46 1HD1 ILE 46 -22.453 -11.387 16.589 766 2HD1 ILE 46 3HD1 ILE 46 -22.825 -11.029 14.904 767 3HD1 ILE 46 2HD1 ILE 46 -22.784 -12.702 15.462 768 H ILE 47 HN ILE 47 -19.190 -12.351 19.444 769 HA ILE 47 HA ILE 47 -18.066 -14.995 19.761 770 HB ILE 47 HB ILE 47 -17.010 -12.822 20.392 771 1HG1 ILE 47 2HG1 ILE 47 -16.943 -13.966 23.027 772 2HG1 ILE 47 1HG1 ILE 47 -17.006 -15.268 21.838 773 1HG2 ILE 47 3HG2 ILE 47 -19.477 -12.573 21.864 774 2HG2 ILE 47 2HG2 ILE 47 -18.112 -12.448 22.973 775 3HG2 ILE 47 1HG2 ILE 47 -18.230 -11.358 21.591 776 1HD1 ILE 47 3HD1 ILE 47 -15.196 -13.738 20.610 777 2HD1 ILE 47 2HD1 ILE 47 -14.905 -13.188 22.260 778 3HD1 ILE 47 1HD1 ILE 47 -14.727 -14.896 21.856 779 1H GLY 1 1H GLY 1 29.177 3.382 9.084 780 2H GLY 1 3H GLY 1 27.805 2.991 8.167 781 3H GLY 1 2H GLY 1 28.976 1.803 8.488 782 1HA GLY 1 2HA GLY 1 29.580 2.338 6.377 783 2HA GLY 1 1HA GLY 1 29.034 4.006 6.560 784 H SER 2 H SER 2 31.728 1.897 6.764 785 HA SER 2 HA SER 2 33.374 3.912 8.220 786 1HB SER 2 2HB SER 2 33.234 1.066 8.039 787 2HB SER 2 1HB SER 2 34.799 1.560 7.398 788 HG SER 2 HG SER 2 35.344 2.356 9.307 789 H HIS 3 H HIS 3 32.640 2.851 5.039 790 HA HIS 3 HA HIS 3 35.218 3.864 3.936 791 1HB HIS 3 2HB HIS 3 33.567 1.704 3.378 792 2HB HIS 3 1HB HIS 3 33.168 2.851 2.097 793 HD1 HIS 3 HD1 HIS 3 34.618 2.526 0.104 794 HD2 HIS 3 HD2 HIS 3 36.671 1.689 3.634 795 HE1 HIS 3 HE1 HIS 3 36.971 1.879 -0.574 796 H MET 4 H MET 4 35.216 5.572 2.382 797 HA MET 4 HA MET 4 33.041 7.523 2.707 798 1HB MET 4 2HB MET 4 35.796 7.543 2.253 799 2HB MET 4 1HB MET 4 35.111 8.085 0.720 800 1HG MET 4 2HG MET 4 35.361 10.072 1.992 801 2HG MET 4 1HG MET 4 33.648 9.666 2.134 802 1HE MET 4 3HE MET 4 37.159 9.301 3.648 803 2HE MET 4 2HE MET 4 36.544 10.922 3.965 804 3HE MET 4 1HE MET 4 36.863 9.831 5.311 805 H GLU 5 H GLU 5 31.339 6.241 1.604 806 HA GLU 5 HA GLU 5 31.648 5.570 -1.230 807 1HB GLU 5 2HB GLU 5 29.981 4.915 0.953 808 2HB GLU 5 1HB GLU 5 28.926 5.682 -0.235 809 1HG GLU 5 2HG GLU 5 29.743 4.150 -1.975 810 2HG GLU 5 1HG GLU 5 30.831 3.394 -0.811 811 H GLU 6 H GLU 6 29.350 6.396 -2.429 812 HA GLU 6 HA GLU 6 29.423 9.392 -2.238 813 1HB GLU 6 2HB GLU 6 30.341 7.725 -4.274 814 2HB GLU 6 1HB GLU 6 28.759 8.250 -4.851 815 1HG GLU 6 2HG GLU 6 29.419 10.614 -4.368 816 2HG GLU 6 1HG GLU 6 31.031 10.041 -3.939 817 H ASP 7 H ASP 7 27.374 10.298 -3.457 818 HA ASP 7 HA ASP 7 25.021 8.708 -3.700 819 1HB ASP 7 2HB ASP 7 25.586 8.615 -1.201 820 2HB ASP 7 1HB ASP 7 25.169 10.328 -1.150 821 HA PRO 8 HA PRO 8 24.920 13.125 -5.151 822 1HB PRO 8 2HB PRO 8 24.584 12.551 -7.809 823 2HB PRO 8 1HB PRO 8 26.177 12.710 -7.044 824 1HG PRO 8 2HG PRO 8 24.675 10.258 -7.790 825 2HG PRO 8 1HG PRO 8 26.413 10.581 -7.844 826 1HD PRO 8 2HD PRO 8 25.180 9.112 -5.881 827 2HD PRO 8 1HD PRO 8 26.725 9.965 -5.673 828 H CYS 9 H CYS 9 23.053 10.705 -7.040 829 HA CYS 9 HA CYS 9 20.564 12.198 -6.296 830 1HB CYS 9 2HB CYS 9 21.590 10.769 -8.711 831 2HB CYS 9 1HB CYS 9 19.849 10.711 -8.418 832 H GLU 10 H GLU 10 21.802 10.159 -4.580 833 HA GLU 10 HA GLU 10 21.240 8.167 -3.443 834 1HB GLU 10 2HB GLU 10 18.634 9.405 -4.340 835 2HB GLU 10 1HB GLU 10 18.667 7.970 -3.314 836 1HG GLU 10 2HG GLU 10 19.412 9.125 -1.492 837 2HG GLU 10 1HG GLU 10 20.436 10.186 -2.458 838 H CYS 11 H CYS 11 22.147 7.553 -6.022 839 HA CYS 11 HA CYS 11 20.471 6.160 -7.764 840 1HB CYS 11 2HB CYS 11 23.325 6.006 -6.902 841 2HB CYS 11 1HB CYS 11 22.707 4.681 -7.896 842 H LYS 12 H LYS 12 21.687 5.187 -4.612 843 HA LYS 12 HA LYS 12 20.182 2.603 -4.881 844 1HB LYS 12 2HB LYS 12 22.536 3.244 -3.079 845 2HB LYS 12 1HB LYS 12 21.866 1.651 -3.432 846 1HG LYS 12 2HG LYS 12 23.494 1.560 -5.016 847 2HG LYS 12 1HG LYS 12 22.396 2.574 -5.952 848 1HD LYS 12 2HD LYS 12 23.493 4.596 -5.078 849 2HD LYS 12 1HD LYS 12 24.579 3.598 -4.112 850 1HE LYS 12 2HE LYS 12 25.016 2.475 -6.532 851 2HE LYS 12 1HE LYS 12 24.614 4.126 -7.042 852 1HZ LYS 12 3HZ LYS 12 26.513 3.500 -4.849 853 2HZ LYS 12 2HZ LYS 12 27.000 3.796 -6.450 854 3HZ LYS 12 1HZ LYS 12 26.222 5.014 -5.556 855 H SER 13 H SER 13 20.376 5.608 -3.264 856 HA SER 13 HA SER 13 19.246 4.738 -0.705 857 1HB SER 13 2HB SER 13 20.026 7.262 -2.097 858 2HB SER 13 1HB SER 13 18.876 7.406 -0.773 859 HG SER 13 HG SER 13 20.399 6.179 0.491 860 H ILE 14 H ILE 14 18.034 5.860 -3.792 861 HA ILE 14 HA ILE 14 15.298 6.366 -2.870 862 HB ILE 14 HB ILE 14 16.774 6.209 -5.505 863 1HG1 ILE 14 2HG1 ILE 14 15.274 8.562 -4.399 864 2HG1 ILE 14 1HG1 ILE 14 16.871 8.168 -3.764 865 1HG2 ILE 14 3HG2 ILE 14 14.360 5.398 -5.693 866 2HG2 ILE 14 2HG2 ILE 14 13.875 7.021 -5.202 867 3HG2 ILE 14 1HG2 ILE 14 14.783 6.787 -6.694 868 1HD1 ILE 14 3HD1 ILE 14 17.719 8.145 -6.140 869 2HD1 ILE 14 2HD1 ILE 14 16.151 8.774 -6.643 870 3HD1 ILE 14 1HD1 ILE 14 17.184 9.728 -5.578 871 H VAL 15 H VAL 15 17.023 3.880 -4.712 872 HA VAL 15 HA VAL 15 14.657 2.187 -5.016 873 HB VAL 15 HB VAL 15 17.440 1.124 -5.317 874 1HG1 VAL 15 3HG1 VAL 15 14.819 1.038 -6.807 875 2HG1 VAL 15 2HG1 VAL 15 16.312 0.500 -7.576 876 3HG1 VAL 15 1HG1 VAL 15 15.734 -0.302 -6.115 877 1HG2 VAL 15 2HG2 VAL 15 16.320 3.490 -6.821 878 2HG2 VAL 15 1HG2 VAL 15 17.952 3.251 -6.203 879 3HG2 VAL 15 3HG2 VAL 15 17.413 2.366 -7.626 880 H LYS 16 H LYS 16 17.072 2.758 -2.634 881 HA LYS 16 HA LYS 16 16.925 0.183 -1.270 882 1HB LYS 16 2HB LYS 16 18.852 1.509 -0.845 883 2HB LYS 16 1HB LYS 16 17.897 2.980 -0.653 884 1HG LYS 16 2HG LYS 16 18.808 1.946 1.501 885 2HG LYS 16 1HG LYS 16 17.080 2.289 1.478 886 1HD LYS 16 2HD LYS 16 16.506 0.077 1.515 887 2HD LYS 16 1HD LYS 16 17.857 -0.393 0.483 888 1HE LYS 16 2HE LYS 16 19.169 -0.895 2.272 889 2HE LYS 16 1HE LYS 16 18.726 0.608 3.107 890 1HZ LYS 16 2HZ LYS 16 16.650 -1.424 2.788 891 2HZ LYS 16 1HZ LYS 16 17.864 -1.737 3.935 892 3HZ LYS 16 3HZ LYS 16 16.914 -0.337 4.068 893 H PHE 17 H PHE 17 15.462 3.401 -0.928 894 HA PHE 17 HA PHE 17 13.769 2.810 1.314 895 1HB PHE 17 2HB PHE 17 13.968 5.082 0.835 896 2HB PHE 17 1HB PHE 17 13.966 4.813 -0.907 897 HD1 PHE 17 HD1 PHE 17 11.818 4.302 -2.091 898 HD2 PHE 17 HD2 PHE 17 11.929 5.485 2.036 899 HE1 PHE 17 HE1 PHE 17 9.399 4.825 -2.179 900 HE2 PHE 17 HE2 PHE 17 9.507 6.010 1.948 901 HZ PHE 17 HZ PHE 17 8.240 5.682 -0.161 902 H GLN 18 H GLN 18 13.539 2.268 -2.164 903 HA GLN 18 HA GLN 18 10.764 1.630 -2.363 904 1HB GLN 18 2HB GLN 18 13.293 1.017 -3.834 905 2HB GLN 18 1HB GLN 18 11.855 0.085 -4.254 906 1HG GLN 18 2HG GLN 18 10.608 2.251 -4.513 907 2HG GLN 18 1HG GLN 18 12.136 3.101 -4.280 908 1HE2 GLN 18 2HE2 GLN 18 12.194 2.905 -7.859 909 2HE2 GLN 18 1HE2 GLN 18 11.734 3.902 -6.568 910 H THR 19 H THR 19 13.582 -0.424 -1.618 911 HA THR 19 HA THR 19 12.231 -2.924 -1.418 912 HB THR 19 HB THR 19 14.632 -1.689 -0.046 913 HG1 THR 19 HG1 THR 19 14.510 -2.326 -2.360 914 1HG2 THR 19 3HG2 THR 19 13.348 -4.369 0.356 915 2HG2 THR 19 2HG2 THR 19 15.105 -4.232 0.437 916 3HG2 THR 19 1HG2 THR 19 14.095 -3.301 1.544 917 H LYS 20 H LYS 20 12.562 -0.241 0.880 918 HA LYS 20 HA LYS 20 11.397 -1.574 3.161 919 1HB LYS 20 2HB LYS 20 11.622 1.326 2.273 920 2HB LYS 20 1HB LYS 20 11.055 0.842 3.872 921 1HG LYS 20 2HG LYS 20 13.254 -0.518 4.020 922 2HG LYS 20 1HG LYS 20 13.794 0.471 2.663 923 1HD LYS 20 2HD LYS 20 14.041 2.321 3.956 924 2HD LYS 20 1HD LYS 20 12.546 2.012 4.841 925 1HE LYS 20 2HE LYS 20 15.065 0.386 5.300 926 2HE LYS 20 1HE LYS 20 14.672 1.837 6.242 927 1HZ LYS 20 1HZ LYS 20 12.504 -0.058 5.858 928 2HZ LYS 20 3HZ LYS 20 13.762 -0.593 6.861 929 3HZ LYS 20 2HZ LYS 20 12.928 0.839 7.237 930 H VAL 21 H VAL 21 10.169 0.141 0.364 931 HA VAL 21 HA VAL 21 7.384 0.209 1.265 932 HB VAL 21 HB VAL 21 9.029 0.928 -1.133 933 1HG1 VAL 21 1HG1 VAL 21 6.106 0.254 -1.180 934 2HG1 VAL 21 3HG1 VAL 21 6.692 1.592 -2.168 935 3HG1 VAL 21 2HG1 VAL 21 7.337 -0.031 -2.411 936 1HG2 VAL 21 2HG2 VAL 21 8.141 2.327 1.001 937 2HG2 VAL 21 1HG2 VAL 21 8.414 3.069 -0.575 938 3HG2 VAL 21 3HG2 VAL 21 6.786 2.586 -0.097 939 H GLU 22 H GLU 22 9.503 -2.068 -0.221 940 HA GLU 22 HA GLU 22 7.496 -3.606 -1.664 941 1HB GLU 22 2HB GLU 22 10.375 -3.793 -0.882 942 2HB GLU 22 1HB GLU 22 9.568 -5.294 -1.325 943 1HG GLU 22 2HG GLU 22 9.130 -2.938 -3.100 944 2HG GLU 22 1HG GLU 22 10.713 -3.717 -3.163 945 H GLU 23 H GLU 23 9.191 -3.960 1.463 946 HA GLU 23 HA GLU 23 7.701 -6.338 2.240 947 1HB GLU 23 2HB GLU 23 9.174 -4.363 4.007 948 2HB GLU 23 1HB GLU 23 8.951 -6.093 4.275 949 1HG GLU 23 2HG GLU 23 10.166 -5.844 1.736 950 2HG GLU 23 1HG GLU 23 11.041 -4.749 2.805 951 H LEU 24 H LEU 24 7.330 -2.856 2.653 952 HA LEU 24 HA LEU 24 5.295 -2.932 4.697 953 1HB LEU 24 2HB LEU 24 6.860 -1.044 3.638 954 2HB LEU 24 1HB LEU 24 5.446 -0.781 2.616 955 HG LEU 24 HG LEU 24 5.201 0.662 4.520 956 1HD1 LEU 24 3HD1 LEU 24 3.265 -0.965 3.761 957 2HD1 LEU 24 2HD1 LEU 24 3.510 -1.669 5.360 958 3HD1 LEU 24 1HD1 LEU 24 3.068 0.031 5.202 959 1HD2 LEU 24 1HD2 LEU 24 6.322 -1.681 5.923 960 2HD2 LEU 24 3HD2 LEU 24 6.465 0.035 6.305 961 3HD2 LEU 24 2HD2 LEU 24 5.026 -0.861 6.795 962 H ILE 25 H ILE 25 5.147 -2.642 1.130 963 HA ILE 25 HA ILE 25 2.302 -2.551 0.902 964 HB ILE 25 HB ILE 25 4.689 -2.905 -0.774 965 1HG1 ILE 25 2HG1 ILE 25 3.567 -1.335 -2.166 966 2HG1 ILE 25 1HG1 ILE 25 1.984 -1.799 -1.547 967 1HG2 ILE 25 2HG2 ILE 25 2.092 -4.211 -1.652 968 2HG2 ILE 25 1HG2 ILE 25 3.460 -3.878 -2.715 969 3HG2 ILE 25 3HG2 ILE 25 3.632 -5.029 -1.390 970 1HD1 ILE 25 1HD1 ILE 25 3.826 -0.885 0.549 971 2HD1 ILE 25 3HD1 ILE 25 3.467 0.353 -0.656 972 3HD1 ILE 25 2HD1 ILE 25 2.155 -0.415 0.238 973 H ASN 26 H ASN 26 4.581 -5.278 1.114 974 HA ASN 26 HA ASN 26 2.671 -7.357 0.533 975 1HB ASN 26 2HB ASN 26 5.312 -7.263 0.725 976 2HB ASN 26 1HB ASN 26 4.994 -7.711 2.401 977 1HD2 ASN 26 2HD2 ASN 26 4.152 -10.402 -0.583 978 2HD2 ASN 26 1HD2 ASN 26 4.356 -8.763 -0.970 979 H THR 27 H THR 27 3.787 -5.850 3.547 980 HA THR 27 HA THR 27 2.303 -7.494 5.369 981 HB THR 27 HB THR 27 3.351 -4.649 5.432 982 HG1 THR 27 HG1 THR 27 4.688 -6.696 5.325 983 1HG2 THR 27 3HG2 THR 27 2.050 -6.325 7.579 984 2HG2 THR 27 2HG2 THR 27 3.176 -5.025 7.974 985 3HG2 THR 27 1HG2 THR 27 1.679 -4.665 7.112 986 H LEU 28 H LEU 28 1.444 -4.639 3.460 987 HA LEU 28 HA LEU 28 -1.059 -4.104 4.830 988 1HB LEU 28 2HB LEU 28 0.279 -3.332 2.246 989 2HB LEU 28 1HB LEU 28 -1.409 -2.893 2.515 990 HG LEU 28 HG LEU 28 0.469 -2.341 4.752 991 1HD1 LEU 28 2HD1 LEU 28 1.784 -1.635 2.776 992 2HD1 LEU 28 1HD1 LEU 28 0.416 -0.675 2.214 993 3HD1 LEU 28 3HD1 LEU 28 1.240 -0.242 3.711 994 1HD2 LEU 28 2HD2 LEU 28 -2.136 -1.540 3.783 995 2HD2 LEU 28 1HD2 LEU 28 -1.404 -1.241 5.359 996 3HD2 LEU 28 3HD2 LEU 28 -1.121 -0.118 4.029 997 H GLN 29 H GLN 29 -0.195 -5.810 1.813 998 HA GLN 29 HA GLN 29 -2.891 -6.610 1.154 999 1HB GLN 29 2HB GLN 29 -0.579 -6.479 -0.157 1000 2HB GLN 29 1HB GLN 29 -0.433 -8.151 0.382 1001 1HG GLN 29 2HG GLN 29 -3.100 -7.689 -0.618 1002 2HG GLN 29 1HG GLN 29 -1.918 -7.188 -1.828 1003 1HE2 GLN 29 1HE2 GLN 29 -3.698 -9.635 -1.805 1004 2HE2 GLN 29 2HE2 GLN 29 -2.639 -10.955 -1.947 1005 H GLN 30 H GLN 30 -0.627 -7.607 3.508 1006 HA GLN 30 HA GLN 30 -1.526 -10.390 3.758 1007 1HB GLN 30 2HB GLN 30 0.294 -8.480 5.222 1008 2HB GLN 30 1HB GLN 30 -0.084 -10.062 5.904 1009 1HG GLN 30 2HG GLN 30 0.610 -10.215 3.074 1010 2HG GLN 30 1HG GLN 30 1.907 -9.529 4.049 1011 1HE2 GLN 30 2HE2 GLN 30 0.816 -13.438 4.607 1012 2HE2 GLN 30 1HE2 GLN 30 -0.183 -12.401 3.709 1013 H LYS 31 H LYS 31 -1.729 -7.440 5.766 1014 HA LYS 31 HA LYS 31 -3.605 -8.523 7.669 1015 1HB LYS 31 2HB LYS 31 -2.267 -6.012 7.010 1016 2HB LYS 31 1HB LYS 31 -3.927 -5.737 7.542 1017 1HG LYS 31 2HG LYS 31 -3.535 -6.996 9.584 1018 2HG LYS 31 1HG LYS 31 -1.915 -7.439 9.042 1019 1HD LYS 31 2HD LYS 31 -1.444 -4.920 8.899 1020 2HD LYS 31 1HD LYS 31 -2.934 -4.699 9.813 1021 1HE LYS 31 2HE LYS 31 -1.788 -6.564 11.378 1022 2HE LYS 31 1HE LYS 31 -0.321 -5.819 10.712 1023 1HZ LYS 31 2HZ LYS 31 -1.525 -3.627 11.169 1024 2HZ LYS 31 1HZ LYS 31 -2.524 -4.533 12.201 1025 3HZ LYS 31 3HZ LYS 31 -0.856 -4.448 12.498 1026 H LEU 32 H LEU 32 -3.880 -7.351 4.443 1027 HA LEU 32 HA LEU 32 -6.710 -6.615 4.569 1028 1HB LEU 32 2HB LEU 32 -4.728 -5.831 3.028 1029 2HB LEU 32 1HB LEU 32 -5.132 -7.268 2.089 1030 HG LEU 32 HG LEU 32 -7.401 -6.491 1.763 1031 1HD1 LEU 32 1HD1 LEU 32 -6.579 -4.440 3.806 1032 2HD1 LEU 32 3HD1 LEU 32 -7.866 -4.073 2.658 1033 3HD1 LEU 32 2HD1 LEU 32 -8.032 -5.438 3.762 1034 1HD2 LEU 32 1HD2 LEU 32 -5.162 -4.561 1.221 1035 2HD2 LEU 32 3HD2 LEU 32 -6.072 -5.555 0.083 1036 3HD2 LEU 32 2HD2 LEU 32 -6.811 -4.115 0.784 1037 H GLU 33 H GLU 33 -4.802 -9.326 3.212 1038 HA GLU 33 HA GLU 33 -7.107 -10.839 2.329 1039 1HB GLU 33 2HB GLU 33 -4.790 -11.065 1.454 1040 2HB GLU 33 1HB GLU 33 -4.270 -11.684 3.022 1041 1HG GLU 33 2HG GLU 33 -5.267 -13.726 2.703 1042 2HG GLU 33 1HG GLU 33 -6.602 -13.042 1.774 1043 H ALA 34 H ALA 34 -5.672 -10.268 5.385 1044 HA ALA 34 HA ALA 34 -6.707 -12.746 6.632 1045 1HB ALA 34 2HB ALA 34 -4.522 -11.213 7.076 1046 2HB ALA 34 1HB ALA 34 -5.643 -10.429 8.188 1047 3HB ALA 34 3HB ALA 34 -5.286 -12.147 8.361 1048 H VAL 35 H VAL 35 -7.315 -9.297 6.392 1049 HA VAL 35 HA VAL 35 -9.398 -9.058 8.344 1050 HB VAL 35 HB VAL 35 -8.266 -7.604 6.008 1051 1HG1 VAL 35 1HG1 VAL 35 -10.735 -7.590 5.551 1052 2HG1 VAL 35 3HG1 VAL 35 -10.969 -6.811 7.116 1053 3HG1 VAL 35 2HG1 VAL 35 -10.057 -5.991 5.848 1054 1HG2 VAL 35 2HG2 VAL 35 -9.157 -6.778 8.786 1055 2HG2 VAL 35 1HG2 VAL 35 -7.513 -7.194 8.305 1056 3HG2 VAL 35 3HG2 VAL 35 -8.284 -5.749 7.649 1057 H ALA 36 H ALA 36 -9.362 -9.902 4.887 1058 HA ALA 36 HA ALA 36 -12.219 -10.046 4.541 1059 1HB ALA 36 3HB ALA 36 -9.769 -10.489 3.091 1060 2HB ALA 36 2HB ALA 36 -10.849 -11.857 2.821 1061 3HB ALA 36 1HB ALA 36 -11.387 -10.221 2.443 1062 H LYS 37 H LYS 37 -9.766 -12.248 5.752 1063 HA LYS 37 HA LYS 37 -11.449 -14.629 5.676 1064 1HB LYS 37 2HB LYS 37 -8.741 -13.831 6.312 1065 2HB LYS 37 1HB LYS 37 -9.370 -14.870 7.592 1066 1HG LYS 37 2HG LYS 37 -9.491 -16.700 6.232 1067 2HG LYS 37 1HG LYS 37 -9.970 -15.748 4.827 1068 1HD LYS 37 2HD LYS 37 -7.696 -15.026 4.451 1069 2HD LYS 37 1HD LYS 37 -7.165 -15.738 5.975 1070 1HE LYS 37 2HE LYS 37 -7.549 -17.978 5.158 1071 2HE LYS 37 1HE LYS 37 -8.361 -17.362 3.704 1072 1HZ LYS 37 3HZ LYS 37 -5.576 -16.651 4.446 1073 2HZ LYS 37 2HZ LYS 37 -5.960 -17.922 3.386 1074 3HZ LYS 37 1HZ LYS 37 -6.369 -16.324 2.982 1075 H ARG 38 H ARG 38 -11.011 -11.958 7.863 1076 HA ARG 38 HA ARG 38 -12.235 -13.348 10.150 1077 1HB ARG 38 2HB ARG 38 -11.521 -10.440 9.630 1078 2HB ARG 38 1HB ARG 38 -11.911 -11.140 11.199 1079 1HG ARG 38 2HG ARG 38 -9.709 -12.361 9.572 1080 2HG ARG 38 1HG ARG 38 -9.388 -10.877 10.469 1081 1HD ARG 38 2HD ARG 38 -10.835 -12.746 12.148 1082 2HD ARG 38 1HD ARG 38 -9.359 -13.498 11.508 1083 HE ARG 38 HE ARG 38 -8.644 -10.879 12.258 1084 1HH1 ARG 38 2HH1 ARG 38 -10.428 -11.136 14.556 1085 2HH1 ARG 38 1HH1 ARG 38 -9.468 -11.981 15.724 1086 1HH2 ARG 38 1HH2 ARG 38 -7.148 -13.102 13.405 1087 2HH2 ARG 38 2HH2 ARG 38 -7.612 -13.091 15.074 1088 H ILE 39 H ILE 39 -13.081 -11.109 7.578 1089 HA ILE 39 HA ILE 39 -15.667 -10.300 8.511 1090 HB ILE 39 HB ILE 39 -14.257 -10.557 5.855 1091 1HG1 ILE 39 2HG1 ILE 39 -13.816 -8.743 7.665 1092 2HG1 ILE 39 1HG1 ILE 39 -14.053 -8.209 6.001 1093 1HG2 ILE 39 3HG2 ILE 39 -17.153 -10.085 6.370 1094 2HG2 ILE 39 2HG2 ILE 39 -16.373 -9.037 5.186 1095 3HG2 ILE 39 1HG2 ILE 39 -16.359 -10.784 4.959 1096 1HD1 ILE 39 3HD1 ILE 39 -16.505 -8.456 7.659 1097 2HD1 ILE 39 2HD1 ILE 39 -15.404 -7.147 8.085 1098 3HD1 ILE 39 1HD1 ILE 39 -16.077 -7.238 6.458 1099 H GLU 40 H GLU 40 -14.568 -13.013 6.471 1100 HA GLU 40 HA GLU 40 -17.186 -14.108 5.995 1101 1HB GLU 40 2HB GLU 40 -15.967 -15.882 5.039 1102 2HB GLU 40 1HB GLU 40 -14.827 -14.545 4.922 1103 1HG GLU 40 2HG GLU 40 -13.467 -16.179 5.852 1104 2HG GLU 40 1HG GLU 40 -14.074 -15.400 7.311 1105 H ALA 41 H ALA 41 -14.840 -14.353 8.601 1106 HA ALA 41 HA ALA 41 -15.904 -16.574 10.033 1107 1HB ALA 41 1HB ALA 41 -13.927 -14.624 10.329 1108 2HB ALA 41 3HB ALA 41 -15.018 -14.319 11.681 1109 3HB ALA 41 2HB ALA 41 -14.280 -15.909 11.484 1110 H LEU 42 H LEU 42 -16.790 -13.149 9.954 1111 HA LEU 42 HA LEU 42 -18.894 -13.387 11.960 1112 1HB LEU 42 2HB LEU 42 -18.070 -11.338 9.881 1113 2HB LEU 42 1HB LEU 42 -19.469 -11.091 10.909 1114 HG LEU 42 HG LEU 42 -17.975 -10.076 12.292 1115 1HD1 LEU 42 2HD1 LEU 42 -18.518 -12.154 13.536 1116 2HD1 LEU 42 1HD1 LEU 42 -17.097 -12.927 12.833 1117 3HD1 LEU 42 3HD1 LEU 42 -16.905 -11.555 13.925 1118 1HD2 LEU 42 3HD2 LEU 42 -16.221 -10.881 10.313 1119 2HD2 LEU 42 2HD2 LEU 42 -15.815 -9.856 11.689 1120 3HD2 LEU 42 1HD2 LEU 42 -15.531 -11.595 11.771 1121 H GLU 43 H GLU 43 -18.639 -13.623 8.449 1122 HA GLU 43 HA GLU 43 -21.479 -13.581 7.891 1123 1HB GLU 43 2HB GLU 43 -19.096 -14.742 6.412 1124 2HB GLU 43 1HB GLU 43 -20.679 -14.425 5.699 1125 1HG GLU 43 2HG GLU 43 -20.059 -12.041 6.959 1126 2HG GLU 43 1HG GLU 43 -18.512 -12.568 6.298 1127 H ASN 44 H ASN 44 -19.379 -15.894 9.267 1128 HA ASN 44 HA ASN 44 -20.812 -18.292 8.416 1129 1HB ASN 44 2HB ASN 44 -18.841 -17.694 10.651 1130 2HB ASN 44 1HB ASN 44 -19.340 -19.312 10.162 1131 1HD2 ASN 44 2HD2 ASN 44 -17.810 -18.519 6.770 1132 2HD2 ASN 44 1HD2 ASN 44 -19.423 -18.690 7.268 1133 H LYS 45 H LYS 45 -21.136 -15.883 10.889 1134 HA LYS 45 HA LYS 45 -23.179 -17.560 12.305 1135 1HB LYS 45 2HB LYS 45 -21.349 -15.292 13.131 1136 2HB LYS 45 1HB LYS 45 -22.697 -15.818 14.140 1137 1HG LYS 45 2HG LYS 45 -20.638 -16.958 14.834 1138 2HG LYS 45 1HG LYS 45 -21.766 -18.123 14.140 1139 1HD LYS 45 2HD LYS 45 -20.474 -18.482 12.281 1140 2HD LYS 45 1HD LYS 45 -19.870 -16.824 12.253 1141 1HE LYS 45 2HE LYS 45 -17.961 -18.039 12.920 1142 2HE LYS 45 1HE LYS 45 -18.643 -17.548 14.484 1143 1HZ LYS 45 2HZ LYS 45 -19.316 -20.082 13.085 1144 2HZ LYS 45 1HZ LYS 45 -18.181 -19.964 14.343 1145 3HZ LYS 45 3HZ LYS 45 -19.813 -19.614 14.641 1146 H ILE 46 H ILE 46 -22.698 -14.809 10.290 1147 HA ILE 46 HA ILE 46 -25.263 -13.554 11.141 1148 HB ILE 46 HB ILE 46 -23.042 -12.743 9.234 1149 1HG1 ILE 46 2HG1 ILE 46 -22.080 -12.174 11.237 1150 2HG1 ILE 46 1HG1 ILE 46 -23.159 -10.792 11.125 1151 1HG2 ILE 46 1HG2 ILE 46 -25.769 -11.754 9.580 1152 2HG2 ILE 46 3HG2 ILE 46 -24.556 -10.495 9.809 1153 3HG2 ILE 46 2HG2 ILE 46 -24.603 -11.410 8.303 1154 1HD1 ILE 46 1HD1 ILE 46 -23.913 -13.376 12.520 1155 2HD1 ILE 46 3HD1 ILE 46 -23.226 -11.983 13.350 1156 3HD1 ILE 46 2HD1 ILE 46 -24.792 -11.848 12.554 1157 H ILE 47 HN ILE 47 -23.899 -15.600 8.688 1158 HA ILE 47 HA ILE 47 -25.774 -15.012 6.553 1159 HB ILE 47 HB ILE 47 -23.550 -16.136 6.339 1160 1HG1 ILE 47 2HG1 ILE 47 -25.026 -18.306 5.227 1161 2HG1 ILE 47 1HG1 ILE 47 -26.026 -16.859 5.084 1162 1HG2 ILE 47 3HG2 ILE 47 -25.027 -18.279 7.874 1163 2HG2 ILE 47 2HG2 ILE 47 -23.634 -18.664 6.865 1164 3HG2 ILE 47 1HG2 ILE 47 -23.456 -17.565 8.233 1165 1HD1 ILE 47 2HD1 ILE 47 -23.106 -16.902 4.293 1166 2HD1 ILE 47 1HD1 ILE 47 -24.402 -17.282 3.157 1167 3HD1 ILE 47 3HD1 ILE 47 -24.318 -15.683 3.896 No H/Q in entry = 1167 Start of MODEL 13 1 1H GLY 1 3H GLY 1 31.680 -10.594 -28.952 2 2H GLY 1 2H GLY 1 32.221 -11.893 -27.999 3 3H GLY 1 1H GLY 1 31.382 -12.187 -29.447 4 1HA GLY 1 2HA GLY 1 29.439 -12.129 -28.417 5 2HA GLY 1 1HA GLY 1 30.321 -11.969 -26.897 6 H SER 2 H SER 2 28.382 -10.319 -29.229 7 HA SER 2 HA SER 2 29.016 -7.598 -28.557 8 1HB SER 2 2HB SER 2 27.653 -7.486 -30.359 9 2HB SER 2 1HB SER 2 27.113 -9.142 -30.104 10 HG SER 2 HG SER 2 25.306 -8.243 -29.528 11 H HIS 3 H HIS 3 28.538 -6.492 -26.697 12 HA HIS 3 HA HIS 3 26.589 -7.724 -24.784 13 1HB HIS 3 2HB HIS 3 27.891 -6.297 -23.144 14 2HB HIS 3 1HB HIS 3 28.856 -7.528 -23.960 15 HD1 HIS 3 HD1 HIS 3 27.897 -3.881 -24.591 16 HD2 HIS 3 HD2 HIS 3 31.147 -6.451 -25.045 17 HE1 HIS 3 HE1 HIS 3 29.788 -2.485 -25.533 18 H MET 4 H MET 4 25.619 -5.871 -23.296 19 HA MET 4 HA MET 4 24.692 -3.633 -25.072 20 1HB MET 4 2HB MET 4 23.262 -5.364 -23.038 21 2HB MET 4 1HB MET 4 22.562 -3.879 -23.681 22 1HG MET 4 2HG MET 4 23.371 -5.132 -25.978 23 2HG MET 4 1HG MET 4 22.908 -6.507 -24.975 24 1HE MET 4 1HE MET 4 22.301 -3.173 -26.142 25 2HE MET 4 3HE MET 4 20.735 -3.257 -26.963 26 3HE MET 4 2HE MET 4 20.831 -2.701 -25.294 27 H GLU 5 H GLU 5 23.867 -1.731 -23.723 28 HA GLU 5 HA GLU 5 25.894 -0.931 -21.806 29 1HB GLU 5 2HB GLU 5 23.214 0.323 -22.478 30 2HB GLU 5 1HB GLU 5 24.625 1.143 -21.810 31 1HG GLU 5 2HG GLU 5 25.152 -0.339 -24.307 32 2HG GLU 5 1HG GLU 5 24.040 1.018 -24.484 33 H GLU 6 H GLU 6 25.759 -0.936 -19.569 34 HA GLU 6 HA GLU 6 23.417 -2.323 -18.364 35 1HB GLU 6 2HB GLU 6 25.586 -3.240 -17.859 36 2HB GLU 6 1HB GLU 6 26.229 -1.647 -17.459 37 1HG GLU 6 2HG GLU 6 23.881 -2.167 -15.867 38 2HG GLU 6 1HG GLU 6 25.022 -3.502 -15.694 39 H ASP 7 H ASP 7 21.846 -1.014 -17.513 40 HA ASP 7 HA ASP 7 21.756 1.721 -17.261 41 1HB ASP 7 2HB ASP 7 20.107 -0.266 -16.656 42 2HB ASP 7 1HB ASP 7 20.685 0.041 -15.018 43 HA PRO 8 HA PRO 8 24.933 2.535 -14.269 44 1HB PRO 8 2HB PRO 8 24.517 5.231 -14.072 45 2HB PRO 8 1HB PRO 8 25.345 4.480 -15.451 46 1HG PRO 8 2HG PRO 8 22.556 5.476 -15.233 47 2HG PRO 8 1HG PRO 8 23.670 5.521 -16.608 48 1HD PRO 8 2HD PRO 8 21.613 3.718 -16.335 49 2HD PRO 8 1HD PRO 8 23.062 3.448 -17.326 50 H CYS 9 H CYS 9 21.862 4.355 -13.805 51 HA CYS 9 HA CYS 9 21.884 3.441 -10.952 52 1HB CYS 9 2HB CYS 9 21.675 6.145 -12.224 53 2HB CYS 9 1HB CYS 9 20.799 5.853 -10.721 54 H GLU 10 H GLU 10 20.403 2.060 -12.877 55 HA GLU 10 HA GLU 10 18.195 1.517 -13.567 56 1HB GLU 10 2HB GLU 10 18.092 2.286 -10.641 57 2HB GLU 10 1HB GLU 10 16.753 1.483 -11.461 58 1HG GLU 10 2HG GLU 10 17.880 -0.509 -11.647 59 2HG GLU 10 1HG GLU 10 19.448 0.279 -11.827 60 H CYS 11 H CYS 11 18.839 4.257 -14.248 61 HA CYS 11 HA CYS 11 17.166 6.296 -13.445 62 1HB CYS 11 2HB CYS 11 18.356 5.392 -16.027 63 2HB CYS 11 1HB CYS 11 17.170 6.701 -16.097 64 H LYS 12 H LYS 12 16.238 3.384 -15.153 65 HA LYS 12 HA LYS 12 13.412 4.396 -15.243 66 1HB LYS 12 2HB LYS 12 14.850 2.503 -17.132 67 2HB LYS 12 1HB LYS 12 13.188 3.069 -17.304 68 1HG LYS 12 2HG LYS 12 14.092 4.713 -18.578 69 2HG LYS 12 1HG LYS 12 14.555 5.433 -17.036 70 1HD LYS 12 2HD LYS 12 16.755 4.882 -17.288 71 2HD LYS 12 1HD LYS 12 16.385 3.344 -18.069 72 1HE LYS 12 2HE LYS 12 17.011 4.358 -20.009 73 2HE LYS 12 1HE LYS 12 15.483 5.255 -19.900 74 1HZ LYS 12 1HZ LYS 12 17.974 6.060 -18.501 75 2HZ LYS 12 3HZ LYS 12 17.496 6.699 -19.997 76 3HZ LYS 12 2HZ LYS 12 16.531 6.948 -18.619 77 H SER 13 H SER 13 15.555 2.097 -13.977 78 HA SER 13 HA SER 13 13.667 -0.144 -13.811 79 1HB SER 13 2HB SER 13 16.452 0.544 -13.007 80 2HB SER 13 1HB SER 13 15.668 -0.742 -12.102 81 HG SER 13 HG SER 13 15.077 -1.427 -14.420 82 H ILE 14 H ILE 14 14.669 2.555 -11.810 83 HA ILE 14 HA ILE 14 13.391 1.577 -9.358 84 HB ILE 14 HB ILE 14 14.567 4.203 -10.299 85 1HG1 ILE 14 2HG1 ILE 14 15.731 2.423 -8.191 86 2HG1 ILE 14 1HG1 ILE 14 15.927 1.973 -9.882 87 1HG2 ILE 14 1HG2 ILE 14 13.675 3.369 -7.520 88 2HG2 ILE 14 3HG2 ILE 14 14.575 4.838 -7.892 89 3HG2 ILE 14 2HG2 ILE 14 12.937 4.628 -8.510 90 1HD1 ILE 14 2HD1 ILE 14 16.681 4.664 -8.710 91 2HD1 ILE 14 1HD1 ILE 14 17.818 3.366 -9.072 92 3HD1 ILE 14 3HD1 ILE 14 16.930 4.149 -10.378 93 H VAL 15 H VAL 15 12.678 3.831 -11.976 94 HA VAL 15 HA VAL 15 10.178 4.754 -10.730 95 HB VAL 15 HB VAL 15 10.752 5.240 -13.617 96 1HG1 VAL 15 3HG1 VAL 15 9.797 6.746 -11.202 97 2HG1 VAL 15 2HG1 VAL 15 10.442 7.651 -12.571 98 3HG1 VAL 15 1HG1 VAL 15 9.045 6.596 -12.791 99 1HG2 VAL 15 1HG2 VAL 15 12.710 5.782 -11.432 100 2HG2 VAL 15 3HG2 VAL 15 12.994 5.535 -13.153 101 3HG2 VAL 15 2HG2 VAL 15 12.419 7.095 -12.570 102 H LYS 16 H LYS 16 11.256 2.239 -12.832 103 HA LYS 16 HA LYS 16 8.641 1.678 -14.052 104 1HB LYS 16 2HB LYS 16 11.376 0.459 -13.909 105 2HB LYS 16 1HB LYS 16 10.040 -0.593 -14.367 106 1HG LYS 16 2HG LYS 16 11.360 0.756 -16.221 107 2HG LYS 16 1HG LYS 16 9.612 0.563 -16.334 108 1HD LYS 16 2HD LYS 16 9.196 2.766 -15.613 109 2HD LYS 16 1HD LYS 16 10.799 2.937 -14.901 110 1HE LYS 16 2HE LYS 16 11.426 3.956 -16.835 111 2HE LYS 16 1HE LYS 16 11.267 2.376 -17.627 112 1HZ LYS 16 2HZ LYS 16 8.888 2.804 -17.888 113 2HZ LYS 16 1HZ LYS 16 9.079 4.344 -17.198 114 3HZ LYS 16 3HZ LYS 16 9.814 3.986 -18.684 115 H PHE 17 H PHE 17 10.605 0.552 -11.353 116 HA PHE 17 HA PHE 17 8.800 -1.520 -10.440 117 1HB PHE 17 2HB PHE 17 10.958 -1.714 -9.582 118 2HB PHE 17 1HB PHE 17 11.170 0.030 -9.460 119 HD1 PHE 17 HD2 PHE 17 9.851 1.284 -7.654 120 HD2 PHE 17 HD1 PHE 17 10.323 -2.983 -7.688 121 HE1 PHE 17 HE2 PHE 17 9.262 1.202 -5.247 122 HE2 PHE 17 HE1 PHE 17 9.734 -3.068 -5.283 123 HZ PHE 17 HZ PHE 17 9.206 -0.976 -4.058 124 H GLN 18 H GLN 18 9.111 1.959 -9.970 125 HA GLN 18 HA GLN 18 7.368 2.304 -7.735 126 1HB GLN 18 2HB GLN 18 8.358 3.926 -10.050 127 2HB GLN 18 1HB GLN 18 7.057 4.594 -9.065 128 1HG GLN 18 2HG GLN 18 8.526 4.024 -7.033 129 2HG GLN 18 1HG GLN 18 9.837 3.804 -8.191 130 1HE2 GLN 18 2HE2 GLN 18 8.898 7.465 -9.141 131 2HE2 GLN 18 1HE2 GLN 18 8.354 6.034 -9.870 132 H THR 19 H THR 19 6.680 2.360 -11.238 133 HA THR 19 HA THR 19 3.880 2.864 -11.091 134 HB THR 19 HB THR 19 5.727 1.432 -13.012 135 HG1 THR 19 HG1 THR 19 5.246 3.889 -12.571 136 1HG2 THR 19 2HG2 THR 19 2.729 1.688 -13.118 137 2HG2 THR 19 1HG2 THR 19 3.681 1.615 -14.600 138 3HG2 THR 19 3HG2 THR 19 3.725 0.273 -13.455 139 H LYS 20 H LYS 20 5.739 -0.148 -10.794 140 HA LYS 20 HA LYS 20 3.500 -1.961 -10.813 141 1HB LYS 20 2HB LYS 20 6.283 -2.055 -9.596 142 2HB LYS 20 1HB LYS 20 5.207 -3.450 -9.673 143 1HG LYS 20 2HG LYS 20 5.621 -1.958 -12.213 144 2HG LYS 20 1HG LYS 20 6.995 -2.888 -11.616 145 1HD LYS 20 2HD LYS 20 5.233 -4.800 -11.294 146 2HD LYS 20 1HD LYS 20 4.271 -3.863 -12.440 147 1HE LYS 20 2HE LYS 20 6.860 -3.929 -13.551 148 2HE LYS 20 1HE LYS 20 6.548 -5.578 -12.976 149 1HZ LYS 20 1HZ LYS 20 4.564 -3.981 -14.497 150 2HZ LYS 20 3HZ LYS 20 5.634 -5.069 -15.237 151 3HZ LYS 20 2HZ LYS 20 4.487 -5.635 -14.118 152 H VAL 21 H VAL 21 5.046 0.021 -8.368 153 HA VAL 21 HA VAL 21 3.595 -1.141 -6.105 154 HB VAL 21 HB VAL 21 5.562 1.016 -6.704 155 1HG1 VAL 21 2HG1 VAL 21 3.748 1.051 -4.281 156 2HG1 VAL 21 1HG1 VAL 21 5.295 1.894 -4.342 157 3HG1 VAL 21 3HG1 VAL 21 4.001 2.348 -5.450 158 1HG2 VAL 21 3HG2 VAL 21 5.281 -1.052 -4.503 159 2HG2 VAL 21 2HG2 VAL 21 6.270 -1.213 -5.954 160 3HG2 VAL 21 1HG2 VAL 21 6.679 -0.004 -4.737 161 H GLU 22 H GLU 22 3.040 1.243 -8.539 162 HA GLU 22 HA GLU 22 1.084 2.858 -7.119 163 1HB GLU 22 2HB GLU 22 2.151 2.468 -9.883 164 2HB GLU 22 1HB GLU 22 0.605 3.298 -9.730 165 1HG GLU 22 2HG GLU 22 3.201 4.072 -8.372 166 2HG GLU 22 1HG GLU 22 2.403 4.943 -9.682 167 H GLU 23 H GLU 23 0.864 0.289 -9.596 168 HA GLU 23 HA GLU 23 -2.023 0.150 -9.565 169 1HB GLU 23 2HB GLU 23 0.006 -1.975 -10.335 170 2HB GLU 23 1HB GLU 23 -1.635 -1.798 -10.958 171 1HG GLU 23 2HG GLU 23 -0.227 0.683 -11.315 172 2HG GLU 23 1HG GLU 23 0.739 -0.630 -11.986 173 H LEU 24 H LEU 24 0.552 -1.554 -7.811 174 HA LEU 24 HA LEU 24 -1.125 -3.547 -6.586 175 1HB LEU 24 2HB LEU 24 1.506 -3.151 -6.830 176 2HB LEU 24 1HB LEU 24 1.300 -2.421 -5.236 177 HG LEU 24 HG LEU 24 0.268 -4.470 -4.394 178 1HD1 LEU 24 2HD1 LEU 24 0.012 -5.000 -7.235 179 2HD1 LEU 24 1HD1 LEU 24 0.786 -6.356 -6.415 180 3HD1 LEU 24 3HD1 LEU 24 -0.798 -5.789 -5.881 181 1HD2 LEU 24 1HD2 LEU 24 2.900 -4.736 -5.849 182 2HD2 LEU 24 3HD2 LEU 24 2.619 -4.521 -4.121 183 3HD2 LEU 24 2HD2 LEU 24 2.253 -6.066 -4.889 184 H ILE 25 H ILE 25 0.081 -0.384 -5.408 185 HA ILE 25 HA ILE 25 -1.165 -0.412 -2.863 186 HB ILE 25 HB ILE 25 0.134 1.447 -4.693 187 1HG1 ILE 25 2HG1 ILE 25 1.110 2.267 -2.664 188 2HG1 ILE 25 1HG1 ILE 25 -0.225 1.641 -1.697 189 1HG2 ILE 25 2HG2 ILE 25 -2.242 2.448 -3.121 190 2HG2 ILE 25 1HG2 ILE 25 -0.879 3.502 -3.498 191 3HG2 ILE 25 3HG2 ILE 25 -1.823 2.780 -4.802 192 1HD1 ILE 25 3HD1 ILE 25 0.966 -0.481 -3.267 193 2HD1 ILE 25 2HD1 ILE 25 2.192 0.326 -2.289 194 3HD1 ILE 25 1HD1 ILE 25 0.769 -0.372 -1.517 195 H ASN 26 H ASN 26 -2.472 0.426 -6.067 196 HA ASN 26 HA ASN 26 -4.973 1.512 -5.153 197 1HB ASN 26 2HB ASN 26 -3.737 1.412 -7.494 198 2HB ASN 26 1HB ASN 26 -4.684 -0.064 -7.694 199 1HD2 ASN 26 2HD2 ASN 26 -6.849 2.619 -9.004 200 2HD2 ASN 26 1HD2 ASN 26 -5.425 1.820 -9.467 201 H THR 27 H THR 27 -3.933 -1.763 -6.024 202 HA THR 27 HA THR 27 -6.455 -3.085 -5.723 203 HB THR 27 HB THR 27 -3.557 -3.919 -5.435 204 HG1 THR 27 HG1 THR 27 -4.427 -3.227 -7.494 205 1HG2 THR 27 1HG2 THR 27 -6.092 -5.547 -5.289 206 2HG2 THR 27 3HG2 THR 27 -4.576 -6.263 -5.836 207 3HG2 THR 27 2HG2 THR 27 -4.697 -5.588 -4.211 208 H LEU 28 H LEU 28 -3.970 -2.110 -3.406 209 HA LEU 28 HA LEU 28 -4.994 -3.666 -1.178 210 1HB LEU 28 2HB LEU 28 -3.087 -1.390 -1.639 211 2HB LEU 28 1HB LEU 28 -3.586 -1.755 0.013 212 HG LEU 28 HG LEU 28 -2.778 -4.074 -1.658 213 1HD1 LEU 28 2HD1 LEU 28 -1.010 -1.763 -1.063 214 2HD1 LEU 28 1HD1 LEU 28 -0.346 -3.354 -0.689 215 3HD1 LEU 28 3HD1 LEU 28 -0.881 -2.984 -2.329 216 1HD2 LEU 28 3HD2 LEU 28 -3.149 -3.390 1.103 217 2HD2 LEU 28 2HD2 LEU 28 -2.783 -4.970 0.411 218 3HD2 LEU 28 1HD2 LEU 28 -1.471 -3.886 0.875 219 H GLN 29 H GLN 29 -5.337 -0.262 -2.200 220 HA GLN 29 HA GLN 29 -7.132 0.491 -0.064 221 1HB GLN 29 2HB GLN 29 -5.623 1.814 -1.801 222 2HB GLN 29 1HB GLN 29 -7.086 1.765 -2.783 223 1HG GLN 29 2HG GLN 29 -8.143 2.515 -0.396 224 2HG GLN 29 1HG GLN 29 -6.547 3.255 -0.279 225 1HE2 GLN 29 2HE2 GLN 29 -9.305 4.830 -2.792 226 2HE2 GLN 29 1HE2 GLN 29 -9.663 3.497 -1.805 227 H GLN 30 H GLN 30 -7.469 -1.422 -2.861 228 HA GLN 30 HA GLN 30 -10.313 -0.876 -3.357 229 1HB GLN 30 2HB GLN 30 -8.188 -2.772 -4.343 230 2HB GLN 30 1HB GLN 30 -9.874 -3.002 -4.809 231 1HG GLN 30 2HG GLN 30 -8.928 -0.227 -5.056 232 2HG GLN 30 1HG GLN 30 -8.109 -1.368 -6.117 233 1HE2 GLN 30 2HE2 GLN 30 -10.829 -1.438 -8.340 234 2HE2 GLN 30 1HE2 GLN 30 -9.155 -1.575 -8.099 235 H LYS 31 H LYS 31 -8.377 -3.625 -2.159 236 HA LYS 31 HA LYS 31 -10.624 -5.203 -1.282 237 1HB LYS 31 2HB LYS 31 -7.685 -5.159 -1.123 238 2HB LYS 31 1HB LYS 31 -8.447 -5.911 0.279 239 1HG LYS 31 2HG LYS 31 -9.661 -7.458 -1.129 240 2HG LYS 31 1HG LYS 31 -9.116 -6.628 -2.587 241 1HD LYS 31 2HD LYS 31 -6.718 -7.139 -1.691 242 2HD LYS 31 1HD LYS 31 -7.529 -8.348 -0.695 243 1HE LYS 31 2HE LYS 31 -8.042 -8.204 -3.670 244 2HE LYS 31 1HE LYS 31 -6.676 -9.128 -3.013 245 1HZ LYS 31 1HZ LYS 31 -9.478 -9.394 -2.062 246 2HZ LYS 31 3HZ LYS 31 -8.763 -10.438 -3.192 247 3HZ LYS 31 2HZ LYS 31 -8.149 -10.352 -1.611 248 H LEU 32 H LEU 32 -9.033 -2.420 -0.025 249 HA LEU 32 HA LEU 32 -9.792 -2.810 2.776 250 1HB LEU 32 2HB LEU 32 -7.839 -1.473 1.615 251 2HB LEU 32 1HB LEU 32 -9.049 -0.196 1.487 252 HG LEU 32 HG LEU 32 -9.393 -0.205 3.891 253 1HD1 LEU 32 1HD1 LEU 32 -7.699 -2.674 3.711 254 2HD1 LEU 32 3HD1 LEU 32 -7.665 -1.717 5.191 255 3HD1 LEU 32 2HD1 LEU 32 -9.185 -2.408 4.623 256 1HD2 LEU 32 3HD2 LEU 32 -6.570 -0.065 2.867 257 2HD2 LEU 32 2HD2 LEU 32 -7.621 1.243 3.411 258 3HD2 LEU 32 1HD2 LEU 32 -6.882 0.158 4.589 259 H GLU 33 H GLU 33 -10.880 -0.684 0.092 260 HA GLU 33 HA GLU 33 -13.053 0.501 1.582 261 1HB GLU 33 2HB GLU 33 -12.165 1.596 -0.370 262 2HB GLU 33 1HB GLU 33 -12.416 0.159 -1.363 263 1HG GLU 33 2HG GLU 33 -14.671 0.536 -1.588 264 2HG GLU 33 1HG GLU 33 -14.812 1.276 0.007 265 H ALA 34 H ALA 34 -12.606 -2.538 0.014 266 HA ALA 34 HA ALA 34 -15.500 -3.098 -0.231 267 1HB ALA 34 2HB ALA 34 -13.709 -3.826 -1.879 268 2HB ALA 34 1HB ALA 34 -13.080 -4.895 -0.625 269 3HB ALA 34 3HB ALA 34 -14.703 -5.147 -1.268 270 H VAL 35 H VAL 35 -12.725 -3.768 1.799 271 HA VAL 35 HA VAL 35 -13.867 -5.854 3.423 272 HB VAL 35 HB VAL 35 -11.558 -4.009 3.355 273 1HG1 VAL 35 1HG1 VAL 35 -12.494 -3.490 5.606 274 2HG1 VAL 35 3HG1 VAL 35 -12.413 -5.207 6.004 275 3HG1 VAL 35 2HG1 VAL 35 -10.931 -4.303 5.694 276 1HG2 VAL 35 3HG2 VAL 35 -11.930 -6.882 4.244 277 2HG2 VAL 35 2HG2 VAL 35 -11.444 -6.355 2.632 278 3HG2 VAL 35 1HG2 VAL 35 -10.376 -6.081 4.010 279 H ALA 36 H ALA 36 -13.831 -2.305 3.586 280 HA ALA 36 HA ALA 36 -15.171 -2.088 6.138 281 1HB ALA 36 1HB ALA 36 -13.837 -0.420 4.476 282 2HB ALA 36 3HB ALA 36 -15.491 -0.013 4.019 283 3HB ALA 36 2HB ALA 36 -14.969 0.169 5.693 284 H LYS 37 H LYS 37 -16.196 -2.480 2.794 285 HA LYS 37 HA LYS 37 -18.993 -1.848 3.201 286 1HB LYS 37 2HB LYS 37 -17.180 -2.622 1.116 287 2HB LYS 37 1HB LYS 37 -18.578 -3.696 1.060 288 1HG LYS 37 2HG LYS 37 -20.017 -2.015 0.482 289 2HG LYS 37 1HG LYS 37 -19.173 -0.817 1.462 290 1HD LYS 37 2HD LYS 37 -18.054 -0.070 -0.341 291 2HD LYS 37 1HD LYS 37 -17.441 -1.692 -0.665 292 1HE LYS 37 2HE LYS 37 -20.293 -1.205 -1.384 293 2HE LYS 37 1HE LYS 37 -19.069 -0.414 -2.398 294 1HZ LYS 37 1HZ LYS 37 -17.886 -2.636 -2.357 295 2HZ LYS 37 3HZ LYS 37 -19.330 -3.296 -1.761 296 3HZ LYS 37 2HZ LYS 37 -19.301 -2.557 -3.292 297 H ARG 38 H ARG 38 -17.034 -4.786 3.408 298 HA ARG 38 HA ARG 38 -19.272 -6.604 3.744 299 1HB ARG 38 2HB ARG 38 -16.416 -6.952 4.693 300 2HB ARG 38 1HB ARG 38 -17.532 -8.200 4.141 301 1HG ARG 38 2HG ARG 38 -17.333 -6.318 2.032 302 2HG ARG 38 1HG ARG 38 -15.687 -6.628 2.585 303 1HD ARG 38 2HD ARG 38 -15.752 -8.858 1.962 304 2HD ARG 38 1HD ARG 38 -17.503 -8.986 2.228 305 HE ARG 38 HE ARG 38 -17.350 -7.177 0.168 306 1HH1 ARG 38 1HH2 ARG 38 -16.772 -10.490 0.701 307 2HH1 ARG 38 2HH2 ARG 38 -16.356 -10.839 -0.944 308 1HH2 ARG 38 2HH1 ARG 38 -16.454 -7.524 -1.952 309 2HH2 ARG 38 1HH1 ARG 38 -16.186 -9.163 -2.447 310 H ILE 39 H ILE 39 -17.119 -4.783 5.877 311 HA ILE 39 HA ILE 39 -17.896 -5.866 8.390 312 HB ILE 39 HB ILE 39 -16.945 -3.164 7.405 313 1HG1 ILE 39 2HG1 ILE 39 -15.469 -5.259 7.419 314 2HG1 ILE 39 1HG1 ILE 39 -14.830 -3.856 8.276 315 1HG2 ILE 39 3HG2 ILE 39 -18.075 -3.876 10.014 316 2HG2 ILE 39 2HG2 ILE 39 -16.437 -3.231 10.127 317 3HG2 ILE 39 1HG2 ILE 39 -17.705 -2.286 9.347 318 1HD1 ILE 39 3HD1 ILE 39 -16.458 -5.958 9.702 319 2HD1 ILE 39 2HD1 ILE 39 -14.717 -6.131 9.485 320 3HD1 ILE 39 1HD1 ILE 39 -15.358 -4.765 10.394 321 H GLU 40 H GLU 40 -19.221 -3.181 6.472 322 HA GLU 40 HA GLU 40 -21.342 -2.473 8.267 323 1HB GLU 40 2HB GLU 40 -21.176 -2.310 5.233 324 2HB GLU 40 1HB GLU 40 -22.224 -1.338 6.267 325 1HG GLU 40 2HG GLU 40 -19.503 -1.148 7.203 326 2HG GLU 40 1HG GLU 40 -19.567 -0.753 5.485 327 H ALA 41 H ALA 41 -20.994 -4.882 5.702 328 HA ALA 41 HA ALA 41 -23.695 -5.724 5.433 329 1HB ALA 41 2HB ALA 41 -21.447 -6.378 4.235 330 2HB ALA 41 1HB ALA 41 -21.358 -7.625 5.477 331 3HB ALA 41 3HB ALA 41 -22.724 -7.587 4.363 332 H LEU 42 H LEU 42 -21.248 -6.428 7.868 333 HA LEU 42 HA LEU 42 -22.881 -8.425 9.272 334 1HB LEU 42 2HB LEU 42 -20.287 -6.950 9.807 335 2HB LEU 42 1HB LEU 42 -20.956 -8.104 10.944 336 HG LEU 42 HG LEU 42 -19.753 -9.652 9.813 337 1HD1 LEU 42 2HD1 LEU 42 -21.769 -9.110 7.612 338 2HD1 LEU 42 1HD1 LEU 42 -20.767 -10.553 7.748 339 3HD1 LEU 42 3HD1 LEU 42 -21.996 -10.218 8.966 340 1HD2 LEU 42 3HD2 LEU 42 -19.163 -7.323 8.302 341 2HD2 LEU 42 2HD2 LEU 42 -18.226 -8.813 8.407 342 3HD2 LEU 42 1HD2 LEU 42 -19.456 -8.630 7.156 343 H GLU 43 H GLU 43 -22.165 -4.991 9.441 344 HA GLU 43 HA GLU 43 -23.284 -4.525 12.074 345 1HB GLU 43 2HB GLU 43 -22.818 -2.738 9.662 346 2HB GLU 43 1HB GLU 43 -23.104 -2.167 11.307 347 1HG GLU 43 2HG GLU 43 -21.079 -4.033 11.615 348 2HG GLU 43 1HG GLU 43 -20.658 -3.215 10.111 349 H ASN 44 H ASN 44 -24.593 -5.049 8.935 350 HA ASN 44 HA ASN 44 -27.116 -3.636 9.339 351 1HB ASN 44 2HB ASN 44 -25.908 -5.565 7.373 352 2HB ASN 44 1HB ASN 44 -27.651 -5.291 7.332 353 1HD2 ASN 44 2HD2 ASN 44 -27.353 -1.898 6.217 354 2HD2 ASN 44 1HD2 ASN 44 -28.371 -2.980 7.038 355 H LYS 45 H LYS 45 -25.767 -6.678 10.252 356 HA LYS 45 HA LYS 45 -28.473 -7.714 11.021 357 1HB LYS 45 2HB LYS 45 -26.043 -9.444 11.084 358 2HB LYS 45 1HB LYS 45 -27.676 -9.832 10.551 359 1HG LYS 45 2HG LYS 45 -25.535 -8.334 9.024 360 2HG LYS 45 1HG LYS 45 -26.316 -9.851 8.583 361 1HD LYS 45 2HD LYS 45 -28.290 -7.764 8.983 362 2HD LYS 45 1HD LYS 45 -27.088 -7.271 7.790 363 1HE LYS 45 2HE LYS 45 -27.537 -9.148 6.397 364 2HE LYS 45 1HE LYS 45 -28.411 -9.995 7.689 365 1HZ LYS 45 1HZ LYS 45 -29.343 -7.321 6.995 366 2HZ LYS 45 3HZ LYS 45 -29.654 -8.544 5.861 367 3HZ LYS 45 2HZ LYS 45 -30.232 -8.696 7.450 368 H ILE 46 H ILE 46 -25.482 -6.478 12.187 369 HA ILE 46 HA ILE 46 -25.886 -7.646 14.899 370 HB ILE 46 HB ILE 46 -23.667 -6.055 13.563 371 1HG1 ILE 46 2HG1 ILE 46 -23.156 -8.158 12.812 372 2HG1 ILE 46 1HG1 ILE 46 -22.545 -8.390 14.443 373 1HG2 ILE 46 1HG2 ILE 46 -24.270 -6.273 16.333 374 2HG2 ILE 46 3HG2 ILE 46 -22.849 -7.270 16.024 375 3HG2 ILE 46 2HG2 ILE 46 -22.838 -5.562 15.586 376 1HD1 ILE 46 3HD1 ILE 46 -25.384 -9.039 13.603 377 2HD1 ILE 46 2HD1 ILE 46 -24.080 -10.222 13.683 378 3HD1 ILE 46 1HD1 ILE 46 -24.627 -9.412 15.151 379 H ILE 47 HN ILE 47 -26.507 -4.821 13.051 380 HA ILE 47 HA ILE 47 -26.274 -2.676 14.833 381 HB ILE 47 HB ILE 47 -26.993 -2.301 12.597 382 1HG1 ILE 47 2HG1 ILE 47 -29.679 -1.916 13.803 383 2HG1 ILE 47 1HG1 ILE 47 -28.334 -1.172 14.669 384 1HG2 ILE 47 1HG2 ILE 47 -28.934 -4.479 13.244 385 2HG2 ILE 47 3HG2 ILE 47 -29.419 -3.275 12.050 386 3HG2 ILE 47 2HG2 ILE 47 -27.963 -4.235 11.792 387 1HD1 ILE 47 2HD1 ILE 47 -28.483 -0.846 11.695 388 2HD1 ILE 47 1HD1 ILE 47 -29.549 0.129 12.707 389 3HD1 ILE 47 3HD1 ILE 47 -27.800 0.240 12.906 390 1H GLY 1 3H GLY 1 13.001 31.840 -27.264 391 2H GLY 1 2H GLY 1 11.834 31.481 -28.446 392 3H GLY 1 1H GLY 1 11.682 32.881 -27.497 393 1HA GLY 1 2HA GLY 1 10.507 31.782 -26.002 394 2HA GLY 1 1HA GLY 1 10.665 30.327 -26.986 395 H SER 2 H SER 2 11.871 32.035 -24.209 396 HA SER 2 HA SER 2 14.252 30.560 -23.674 397 1HB SER 2 2HB SER 2 14.165 32.171 -22.088 398 2HB SER 2 1HB SER 2 12.454 32.438 -22.409 399 HG SER 2 HG SER 2 12.339 31.654 -20.431 400 H HIS 3 H HIS 3 14.527 28.459 -23.029 401 HA HIS 3 HA HIS 3 12.094 26.915 -22.201 402 1HB HIS 3 2HB HIS 3 13.563 24.978 -22.977 403 2HB HIS 3 1HB HIS 3 13.090 26.117 -24.239 404 HD1 HIS 3 HD1 HIS 3 15.974 25.872 -21.732 405 HD2 HIS 3 HD2 HIS 3 15.283 26.868 -25.721 406 HE1 HIS 3 HE1 HIS 3 18.229 26.456 -22.727 407 H MET 4 H MET 4 12.824 24.935 -20.757 408 HA MET 4 HA MET 4 14.714 25.957 -18.657 409 1HB MET 4 2HB MET 4 12.088 24.457 -18.547 410 2HB MET 4 1HB MET 4 13.174 24.530 -17.158 411 1HG MET 4 2HG MET 4 13.075 27.164 -17.913 412 2HG MET 4 1HG MET 4 11.441 26.626 -18.299 413 1HE MET 4 1HE MET 4 14.280 26.439 -16.133 414 2HE MET 4 3HE MET 4 13.745 27.332 -14.701 415 3HE MET 4 2HE MET 4 13.729 25.571 -14.701 416 H GLU 5 H GLU 5 15.531 24.021 -17.266 417 HA GLU 5 HA GLU 5 16.795 22.080 -19.046 418 1HB GLU 5 2HB GLU 5 16.725 22.251 -16.017 419 2HB GLU 5 1HB GLU 5 17.942 21.434 -16.998 420 1HG GLU 5 2HG GLU 5 17.523 24.271 -17.695 421 2HG GLU 5 1HG GLU 5 18.176 24.004 -16.079 422 H GLU 6 H GLU 6 16.171 19.949 -19.353 423 HA GLU 6 HA GLU 6 13.623 19.084 -18.083 424 1HB GLU 6 2HB GLU 6 13.712 18.979 -20.482 425 2HB GLU 6 1HB GLU 6 15.284 18.179 -20.450 426 1HG GLU 6 2HG GLU 6 13.317 16.706 -18.891 427 2HG GLU 6 1HG GLU 6 12.784 16.923 -20.558 428 H ASP 7 H ASP 7 13.809 17.817 -16.284 429 HA ASP 7 HA ASP 7 16.024 16.766 -15.057 430 1HB ASP 7 2HB ASP 7 13.407 16.686 -14.603 431 2HB ASP 7 1HB ASP 7 13.573 15.054 -15.251 432 HA PRO 8 HA PRO 8 17.514 13.815 -18.030 433 1HB PRO 8 2HB PRO 8 19.560 12.836 -16.504 434 2HB PRO 8 1HB PRO 8 19.643 14.400 -17.338 435 1HG PRO 8 2HG PRO 8 19.105 13.806 -14.475 436 2HG PRO 8 1HG PRO 8 20.015 15.139 -15.203 437 1HD PRO 8 2HD PRO 8 17.455 15.369 -14.249 438 2HD PRO 8 1HD PRO 8 18.149 16.415 -15.507 439 H CYS 9 H CYS 9 17.535 12.724 -14.603 440 HA CYS 9 HA CYS 9 16.103 10.246 -15.490 441 1HB CYS 9 2HB CYS 9 18.592 10.719 -13.892 442 2HB CYS 9 1HB CYS 9 17.591 9.322 -13.490 443 H GLU 10 H GLU 10 14.685 12.460 -14.461 444 HA GLU 10 HA GLU 10 13.341 13.176 -12.636 445 1HB GLU 10 2HB GLU 10 13.248 10.155 -12.715 446 2HB GLU 10 1HB GLU 10 12.145 11.109 -11.725 447 1HG GLU 10 2HG GLU 10 10.929 11.782 -13.520 448 2HG GLU 10 1HG GLU 10 12.366 12.041 -14.509 449 H CYS 11 H CYS 11 16.151 13.023 -11.877 450 HA CYS 11 HA CYS 11 16.875 11.591 -9.638 451 1HB CYS 11 2HB CYS 11 17.319 14.362 -10.639 452 2HB CYS 11 1HB CYS 11 17.860 14.008 -8.995 453 H LYS 12 H LYS 12 14.419 14.092 -9.808 454 HA LYS 12 HA LYS 12 13.958 13.754 -6.861 455 1HB LYS 12 2HB LYS 12 13.462 16.169 -8.634 456 2HB LYS 12 1HB LYS 12 13.229 16.100 -6.888 457 1HG LYS 12 2HG LYS 12 15.364 16.837 -6.735 458 2HG LYS 12 1HG LYS 12 15.826 15.197 -7.191 459 1HD LYS 12 2HD LYS 12 16.359 15.797 -9.338 460 2HD LYS 12 1HD LYS 12 15.090 17.019 -9.420 461 1HE LYS 12 2HE LYS 12 16.762 18.545 -9.157 462 2HE LYS 12 1HE LYS 12 16.831 18.004 -7.468 463 1HZ LYS 12 1HZ LYS 12 18.222 16.595 -9.676 464 2HZ LYS 12 3HZ LYS 12 18.972 17.791 -8.738 465 3HZ LYS 12 2HZ LYS 12 18.422 16.359 -8.006 466 H SER 13 H SER 13 12.700 13.302 -9.976 467 HA SER 13 HA SER 13 9.870 13.705 -9.311 468 1HB SER 13 2HB SER 13 11.569 12.880 -11.618 469 2HB SER 13 1HB SER 13 9.892 12.347 -11.646 470 HG SER 13 HG SER 13 9.697 14.789 -10.928 471 H ILE 14 H ILE 14 12.166 11.067 -9.319 472 HA ILE 14 HA ILE 14 10.148 8.947 -9.072 473 HB ILE 14 HB ILE 14 13.155 9.149 -8.789 474 1HG1 ILE 14 2HG1 ILE 14 11.702 7.667 -10.945 475 2HG1 ILE 14 1HG1 ILE 14 11.776 9.426 -11.034 476 1HG2 ILE 14 1HG2 ILE 14 11.366 6.698 -8.784 477 2HG2 ILE 14 3HG2 ILE 14 13.123 6.655 -8.926 478 3HG2 ILE 14 2HG2 ILE 14 12.373 7.261 -7.451 479 1HD1 ILE 14 3HD1 ILE 14 14.238 9.329 -10.825 480 2HD1 ILE 14 2HD1 ILE 14 14.157 7.568 -10.772 481 3HD1 ILE 14 1HD1 ILE 14 13.680 8.429 -12.234 482 H VAL 15 H VAL 15 12.403 10.697 -6.995 483 HA VAL 15 HA VAL 15 11.685 9.168 -4.598 484 HB VAL 15 HB VAL 15 13.045 11.815 -4.388 485 1HG1 VAL 15 3HG1 VAL 15 13.292 9.035 -3.293 486 2HG1 VAL 15 2HG1 VAL 15 14.706 10.087 -3.245 487 3HG1 VAL 15 1HG1 VAL 15 13.218 10.572 -2.431 488 1HG2 VAL 15 1HG2 VAL 15 13.929 9.657 -6.250 489 2HG2 VAL 15 3HG2 VAL 15 14.246 11.390 -6.314 490 3HG2 VAL 15 2HG2 VAL 15 15.170 10.365 -5.218 491 H LYS 16 H LYS 16 10.570 11.988 -6.283 492 HA LYS 16 HA LYS 16 9.147 13.194 -4.020 493 1HB LYS 16 2HB LYS 16 9.331 13.506 -6.998 494 2HB LYS 16 1HB LYS 16 7.928 14.195 -6.190 495 1HG LYS 16 2HG LYS 16 10.140 15.627 -6.490 496 2HG LYS 16 1HG LYS 16 9.186 15.750 -5.014 497 1HD LYS 16 2HD LYS 16 10.682 14.399 -3.790 498 2HD LYS 16 1HD LYS 16 11.423 13.740 -5.247 499 1HE LYS 16 2HE LYS 16 13.020 15.344 -5.057 500 2HE LYS 16 1HE LYS 16 11.764 16.550 -5.406 501 1HZ LYS 16 1HZ LYS 16 12.268 15.377 -2.725 502 2HZ LYS 16 3HZ LYS 16 12.837 16.894 -3.223 503 3HZ LYS 16 2HZ LYS 16 11.166 16.615 -3.100 504 H PHE 17 H PHE 17 8.411 11.094 -6.760 505 HA PHE 17 HA PHE 17 5.609 10.722 -6.217 506 1HB PHE 17 2HB PHE 17 6.270 10.036 -8.342 507 2HB PHE 17 1HB PHE 17 7.819 9.421 -7.768 508 HD1 PHE 17 HD2 PHE 17 7.841 7.276 -6.390 509 HD2 PHE 17 HD1 PHE 17 4.418 8.584 -8.628 510 HE1 PHE 17 HE2 PHE 17 6.911 4.982 -6.301 511 HE2 PHE 17 HE1 PHE 17 3.486 6.290 -8.540 512 HZ PHE 17 HZ PHE 17 4.731 4.487 -7.378 513 H GLN 18 H GLN 18 8.591 9.286 -4.996 514 HA GLN 18 HA GLN 18 7.502 6.983 -3.700 515 1HB GLN 18 2HB GLN 18 9.913 8.740 -3.453 516 2HB GLN 18 1HB GLN 18 9.615 7.553 -2.182 517 1HG GLN 18 2HG GLN 18 9.332 5.833 -4.058 518 2HG GLN 18 1HG GLN 18 10.019 7.049 -5.134 519 1HE2 GLN 18 2HE2 GLN 18 12.952 6.860 -2.562 520 2HE2 GLN 18 1HE2 GLN 18 11.647 7.944 -2.554 521 H THR 19 H THR 19 8.100 10.277 -2.459 522 HA THR 19 HA THR 19 7.164 9.904 0.198 523 HB THR 19 HB THR 19 7.240 12.209 -1.755 524 HG1 THR 19 HG1 THR 19 9.021 11.093 -0.329 525 1HG2 THR 19 2HG2 THR 19 6.178 12.187 1.074 526 2HG2 THR 19 1HG2 THR 19 6.763 13.657 0.293 527 3HG2 THR 19 3HG2 THR 19 5.380 12.792 -0.378 528 H LYS 20 H LYS 20 5.409 10.537 -2.817 529 HA LYS 20 HA LYS 20 2.816 10.986 -1.646 530 1HB LYS 20 2HB LYS 20 3.771 9.948 -4.337 531 2HB LYS 20 1HB LYS 20 2.094 10.375 -3.999 532 1HG LYS 20 2HG LYS 20 4.131 12.411 -3.273 533 2HG LYS 20 1HG LYS 20 3.885 12.141 -4.998 534 1HD LYS 20 2HD LYS 20 1.341 12.292 -4.396 535 2HD LYS 20 1HD LYS 20 1.917 13.104 -2.939 536 1HE LYS 20 2HE LYS 20 3.364 14.261 -5.079 537 2HE LYS 20 1HE LYS 20 1.672 14.184 -5.608 538 1HZ LYS 20 1HZ LYS 20 2.526 15.130 -2.927 539 2HZ LYS 20 3HZ LYS 20 2.202 16.169 -4.227 540 3HZ LYS 20 2HZ LYS 20 0.963 15.197 -3.588 541 H VAL 21 H VAL 21 4.655 8.139 -2.560 542 HA VAL 21 HA VAL 21 2.458 6.245 -2.170 543 HB VAL 21 HB VAL 21 5.361 6.284 -2.852 544 1HG1 VAL 21 2HG1 VAL 21 3.985 3.961 -1.514 545 2HG1 VAL 21 1HG1 VAL 21 5.285 3.694 -2.675 546 3HG1 VAL 21 3HG1 VAL 21 5.592 4.618 -1.204 547 1HG2 VAL 21 3HG2 VAL 21 2.902 4.853 -3.893 548 2HG2 VAL 21 2HG2 VAL 21 3.720 6.233 -4.627 549 3HG2 VAL 21 1HG2 VAL 21 4.515 4.658 -4.582 550 H GLU 22 H GLU 22 4.829 7.850 -0.228 551 HA GLU 22 HA GLU 22 4.935 5.946 1.959 552 1HB GLU 22 2HB GLU 22 5.794 8.736 1.323 553 2HB GLU 22 1HB GLU 22 5.729 8.288 3.026 554 1HG GLU 22 2HG GLU 22 7.258 6.830 0.852 555 2HG GLU 22 1HG GLU 22 7.958 7.809 2.143 556 H GLU 23 H GLU 23 3.228 9.049 1.457 557 HA GLU 23 HA GLU 23 1.772 8.926 3.954 558 1HB GLU 23 2HB GLU 23 1.098 10.399 1.386 559 2HB GLU 23 1HB GLU 23 0.613 10.845 3.023 560 1HG GLU 23 2HG GLU 23 3.451 10.553 3.010 561 2HG GLU 23 1HG GLU 23 3.010 11.565 1.635 562 H LEU 24 H LEU 24 1.097 7.870 0.636 563 HA LEU 24 HA LEU 24 -1.686 7.244 1.021 564 1HB LEU 24 2HB LEU 24 -0.028 7.423 -1.078 565 2HB LEU 24 1HB LEU 24 0.061 5.678 -0.834 566 HG LEU 24 HG LEU 24 -2.376 5.503 -0.978 567 1HD1 LEU 24 2HD1 LEU 24 -2.171 8.363 -0.536 568 2HD1 LEU 24 1HD1 LEU 24 -3.150 8.024 -1.963 569 3HD1 LEU 24 3HD1 LEU 24 -3.588 7.319 -0.406 570 1HD2 LEU 24 1HD2 LEU 24 -0.939 6.988 -3.179 571 2HD2 LEU 24 3HD2 LEU 24 -1.367 5.279 -3.106 572 3HD2 LEU 24 2HD2 LEU 24 -2.621 6.492 -3.367 573 H ILE 25 H ILE 25 1.260 5.211 1.126 574 HA ILE 25 HA ILE 25 0.050 2.751 1.806 575 HB ILE 25 HB ILE 25 2.669 4.018 1.793 576 1HG1 ILE 25 2HG1 ILE 25 3.353 1.854 1.006 577 2HG1 ILE 25 1HG1 ILE 25 1.939 1.083 1.724 578 1HG2 ILE 25 2HG2 ILE 25 2.024 2.164 4.090 579 2HG2 ILE 25 1HG2 ILE 25 3.656 2.281 3.430 580 3HG2 ILE 25 3HG2 ILE 25 2.885 3.703 4.134 581 1HD1 ILE 25 3HD1 ILE 25 1.135 3.235 -0.041 582 2HD1 ILE 25 2HD1 ILE 25 2.161 2.082 -0.895 583 3HD1 ILE 25 1HD1 ILE 25 0.691 1.530 -0.092 584 H ASN 26 H ASN 26 0.973 5.497 3.884 585 HA ASN 26 HA ASN 26 0.479 4.248 6.410 586 1HB ASN 26 2HB ASN 26 1.528 6.553 5.654 587 2HB ASN 26 1HB ASN 26 -0.125 7.138 5.845 588 1HD2 ASN 26 2HD2 ASN 26 1.502 7.551 9.157 589 2HD2 ASN 26 1HD2 ASN 26 1.682 8.224 7.608 590 H THR 27 H THR 27 -1.622 6.027 4.179 591 HA THR 27 HA THR 27 -3.998 6.028 5.784 592 HB THR 27 HB THR 27 -3.387 6.135 2.820 593 HG1 THR 27 HG1 THR 27 -2.783 7.881 4.218 594 1HG2 THR 27 1HG2 THR 27 -6.028 6.242 4.264 595 2HG2 THR 27 3HG2 THR 27 -5.795 7.108 2.747 596 3HG2 THR 27 2HG2 THR 27 -5.607 5.355 2.798 597 H LEU 28 H LEU 28 -2.574 3.643 3.589 598 HA LEU 28 HA LEU 28 -4.878 1.897 3.442 599 1HB LEU 28 2HB LEU 28 -1.931 1.785 2.875 600 2HB LEU 28 1HB LEU 28 -2.837 0.272 2.896 601 HG LEU 28 HG LEU 28 -4.082 2.505 1.393 602 1HD1 LEU 28 2HD1 LEU 28 -1.467 1.213 0.618 603 2HD1 LEU 28 1HD1 LEU 28 -2.595 1.785 -0.612 604 3HD1 LEU 28 3HD1 LEU 28 -1.913 2.919 0.555 605 1HD2 LEU 28 3HD2 LEU 28 -4.060 -0.412 1.501 606 2HD2 LEU 28 2HD2 LEU 28 -5.284 0.671 0.836 607 3HD2 LEU 28 1HD2 LEU 28 -3.907 0.184 -0.152 608 H GLN 29 H GLN 29 -1.927 1.903 5.439 609 HA GLN 29 HA GLN 29 -2.616 -0.410 7.010 610 1HB GLN 29 2HB GLN 29 -0.395 0.984 6.563 611 2HB GLN 29 1HB GLN 29 -0.921 1.857 8.000 612 1HG GLN 29 2HG GLN 29 -1.290 -0.726 8.806 613 2HG GLN 29 1HG GLN 29 0.112 -0.900 7.748 614 1HE2 GLN 29 2HE2 GLN 29 0.532 0.916 11.350 615 2HE2 GLN 29 1HE2 GLN 29 -0.964 0.297 10.841 616 H GLN 30 H GLN 30 -3.765 2.803 6.911 617 HA GLN 30 HA GLN 30 -4.545 3.007 9.733 618 1HB GLN 30 2HB GLN 30 -4.949 4.565 7.184 619 2HB GLN 30 1HB GLN 30 -5.799 5.017 8.662 620 1HG GLN 30 2HG GLN 30 -2.933 4.488 9.046 621 2HG GLN 30 1HG GLN 30 -3.281 5.861 7.999 622 1HE2 GLN 30 2HE2 GLN 30 -4.070 7.914 10.736 623 2HE2 GLN 30 1HE2 GLN 30 -3.493 7.783 9.146 624 H LYS 31 H LYS 31 -6.252 2.693 6.609 625 HA LYS 31 HA LYS 31 -8.856 2.222 7.753 626 1HB LYS 31 2HB LYS 31 -7.485 2.172 5.149 627 2HB LYS 31 1HB LYS 31 -8.804 1.003 5.261 628 1HG LYS 31 2HG LYS 31 -10.377 2.727 5.870 629 2HG LYS 31 1HG LYS 31 -9.087 3.918 6.032 630 1HD LYS 31 2HD LYS 31 -8.566 3.367 3.544 631 2HD LYS 31 1HD LYS 31 -10.187 2.671 3.521 632 1HE LYS 31 2HE LYS 31 -9.744 5.452 4.608 633 2HE LYS 31 1HE LYS 31 -9.956 5.177 2.867 634 1HZ LYS 31 1HZ LYS 31 -11.772 4.055 4.926 635 2HZ LYS 31 3HZ LYS 31 -12.072 5.526 4.135 636 3HZ LYS 31 2HZ LYS 31 -12.005 4.080 3.244 637 H LEU 32 H LEU 32 -6.035 0.285 7.384 638 HA LEU 32 HA LEU 32 -7.381 -2.316 7.421 639 1HB LEU 32 2HB LEU 32 -5.042 -1.487 6.496 640 2HB LEU 32 1HB LEU 32 -4.510 -1.816 8.144 641 HG LEU 32 HG LEU 32 -5.250 -4.118 7.987 642 1HD1 LEU 32 1HD1 LEU 32 -6.455 -3.156 5.395 643 2HD1 LEU 32 3HD1 LEU 32 -6.071 -4.862 5.628 644 3HD1 LEU 32 2HD1 LEU 32 -7.222 -4.062 6.698 645 1HD2 LEU 32 3HD2 LEU 32 -3.615 -3.088 5.665 646 2HD2 LEU 32 2HD2 LEU 32 -3.047 -3.867 7.144 647 3HD2 LEU 32 1HD2 LEU 32 -3.880 -4.815 5.911 648 H GLU 33 H GLU 33 -5.462 -0.370 9.746 649 HA GLU 33 HA GLU 33 -5.825 -2.193 11.959 650 1HB GLU 33 2HB GLU 33 -4.006 -0.614 11.946 651 2HB GLU 33 1HB GLU 33 -5.106 0.740 11.689 652 1HG GLU 33 2HG GLU 33 -5.734 0.826 13.888 653 2HG GLU 33 1HG GLU 33 -5.631 -0.923 14.091 654 H ALA 34 H ALA 34 -7.837 0.169 10.454 655 HA ALA 34 HA ALA 34 -9.603 0.510 12.805 656 1HB ALA 34 1HB ALA 34 -9.546 1.512 9.940 657 2HB ALA 34 3HB ALA 34 -10.870 1.884 11.045 658 3HB ALA 34 2HB ALA 34 -9.236 2.440 11.406 659 H VAL 35 H VAL 35 -9.397 -1.137 9.716 660 HA VAL 35 HA VAL 35 -12.070 -2.168 9.567 661 HB VAL 35 HB VAL 35 -9.389 -2.567 8.363 662 1HG1 VAL 35 1HG1 VAL 35 -9.990 -4.896 9.027 663 2HG1 VAL 35 3HG1 VAL 35 -11.488 -4.738 8.108 664 3HG1 VAL 35 2HG1 VAL 35 -9.932 -4.676 7.278 665 1HG2 VAL 35 2HG2 VAL 35 -11.158 -1.149 7.373 666 2HG2 VAL 35 1HG2 VAL 35 -10.711 -2.469 6.294 667 3HG2 VAL 35 3HG2 VAL 35 -12.203 -2.563 7.230 668 H ALA 36 H ALA 36 -9.056 -3.348 11.053 669 HA ALA 36 HA ALA 36 -10.101 -5.900 11.917 670 1HB ALA 36 1HB ALA 36 -7.663 -4.881 11.697 671 2HB ALA 36 3HB ALA 36 -7.949 -4.377 13.363 672 3HB ALA 36 2HB ALA 36 -8.002 -6.088 12.937 673 H LYS 37 H LYS 37 -10.165 -2.628 13.175 674 HA LYS 37 HA LYS 37 -10.997 -3.309 15.871 675 1HB LYS 37 2HB LYS 37 -10.355 -1.015 14.248 676 2HB LYS 37 1HB LYS 37 -11.872 -0.713 15.098 677 1HG LYS 37 2HG LYS 37 -10.882 -0.768 17.168 678 2HG LYS 37 1HG LYS 37 -9.674 -1.955 16.675 679 1HD LYS 37 2HD LYS 37 -8.180 -0.311 16.338 680 2HD LYS 37 1HD LYS 37 -9.256 0.430 15.153 681 1HE LYS 37 2HE LYS 37 -10.040 0.857 17.980 682 2HE LYS 37 1HE LYS 37 -8.542 1.664 17.471 683 1HZ LYS 37 1HZ LYS 37 -9.771 2.384 15.442 684 2HZ LYS 37 3HZ LYS 37 -11.198 1.810 16.155 685 3HZ LYS 37 2HZ LYS 37 -10.343 3.084 16.881 686 H ARG 38 H ARG 38 -12.635 -2.613 12.823 687 HA ARG 38 HA ARG 38 -15.310 -2.472 13.953 688 1HB ARG 38 2HB ARG 38 -14.515 -3.195 11.122 689 2HB ARG 38 1HB ARG 38 -15.951 -2.323 11.659 690 1HG ARG 38 2HG ARG 38 -13.740 -0.860 12.633 691 2HG ARG 38 1HG ARG 38 -13.365 -1.264 10.957 692 1HD ARG 38 2HD ARG 38 -15.096 0.008 10.120 693 2HD ARG 38 1HD ARG 38 -16.140 -0.317 11.519 694 HE ARG 38 HE ARG 38 -14.097 1.140 12.633 695 1HH1 ARG 38 1HH2 ARG 38 -16.685 1.610 10.467 696 2HH1 ARG 38 2HH2 ARG 38 -16.412 3.309 10.272 697 1HH2 ARG 38 2HH1 ARG 38 -13.490 3.327 12.138 698 2HH2 ARG 38 1HH1 ARG 38 -14.607 4.280 11.219 699 H ILE 39 H ILE 39 -13.241 -4.950 12.537 700 HA ILE 39 HA ILE 39 -15.127 -7.070 12.298 701 HB ILE 39 HB ILE 39 -12.151 -6.894 12.840 702 1HG1 ILE 39 2HG1 ILE 39 -13.236 -6.183 10.614 703 2HG1 ILE 39 1HG1 ILE 39 -11.920 -7.352 10.516 704 1HG2 ILE 39 3HG2 ILE 39 -13.932 -9.210 13.015 705 2HG2 ILE 39 2HG2 ILE 39 -12.642 -9.430 11.835 706 3HG2 ILE 39 1HG2 ILE 39 -12.247 -9.051 13.510 707 1HD1 ILE 39 3HD1 ILE 39 -14.848 -8.123 10.605 708 2HD1 ILE 39 2HD1 ILE 39 -13.926 -7.945 9.114 709 3HD1 ILE 39 1HD1 ILE 39 -13.478 -9.187 10.283 710 H GLU 40 H GLU 40 -13.026 -6.063 14.994 711 HA GLU 40 HA GLU 40 -13.883 -8.082 16.852 712 1HB GLU 40 2HB GLU 40 -12.901 -5.246 17.338 713 2HB GLU 40 1HB GLU 40 -12.832 -6.582 18.488 714 1HG GLU 40 2HG GLU 40 -11.619 -7.441 16.042 715 2HG GLU 40 1HG GLU 40 -10.916 -5.887 16.494 716 H ALA 41 H ALA 41 -15.118 -4.918 15.895 717 HA ALA 41 HA ALA 41 -17.033 -4.492 17.961 718 1HB ALA 41 2HB ALA 41 -16.195 -3.163 15.776 719 2HB ALA 41 1HB ALA 41 -17.680 -3.846 15.114 720 3HB ALA 41 3HB ALA 41 -17.747 -2.805 16.537 721 H LEU 42 H LEU 42 -17.034 -6.537 15.103 722 HA LEU 42 HA LEU 42 -19.848 -7.340 15.396 723 1HB LEU 42 2HB LEU 42 -17.497 -8.189 13.680 724 2HB LEU 42 1HB LEU 42 -19.071 -8.957 13.560 725 HG LEU 42 HG LEU 42 -19.546 -7.377 12.017 726 1HD1 LEU 42 2HD1 LEU 42 -19.459 -5.481 14.384 727 2HD1 LEU 42 1HD1 LEU 42 -20.263 -5.168 12.847 728 3HD1 LEU 42 3HD1 LEU 42 -20.846 -6.457 13.899 729 1HD2 LEU 42 3HD2 LEU 42 -16.909 -6.621 12.744 730 2HD2 LEU 42 2HD2 LEU 42 -17.770 -6.254 11.248 731 3HD2 LEU 42 1HD2 LEU 42 -17.862 -5.142 12.617 732 H GLU 43 H GLU 43 -16.636 -8.507 16.241 733 HA GLU 43 HA GLU 43 -17.406 -11.186 17.028 734 1HB GLU 43 2HB GLU 43 -15.083 -9.394 17.826 735 2HB GLU 43 1HB GLU 43 -15.140 -11.145 18.035 736 1HG GLU 43 2HG GLU 43 -15.800 -10.828 15.377 737 2HG GLU 43 1HG GLU 43 -14.588 -9.574 15.626 738 H ASN 44 H ASN 44 -17.749 -8.073 18.417 739 HA ASN 44 HA ASN 44 -17.815 -8.877 21.222 740 1HB ASN 44 2HB ASN 44 -18.385 -6.471 19.533 741 2HB ASN 44 1HB ASN 44 -19.066 -6.508 21.161 742 1HD2 ASN 44 2HD2 ASN 44 -15.836 -6.411 22.762 743 2HD2 ASN 44 1HD2 ASN 44 -17.411 -7.011 22.961 744 H LYS 45 H LYS 45 -19.980 -8.919 18.531 745 HA LYS 45 HA LYS 45 -22.305 -9.453 20.346 746 1HB LYS 45 2HB LYS 45 -22.680 -8.916 17.435 747 2HB LYS 45 1HB LYS 45 -23.631 -8.354 18.806 748 1HG LYS 45 2HG LYS 45 -20.998 -7.247 17.799 749 2HG LYS 45 1HG LYS 45 -22.549 -6.416 17.908 750 1HD LYS 45 2HD LYS 45 -21.747 -7.481 20.494 751 2HD LYS 45 1HD LYS 45 -20.516 -6.403 19.834 752 1HE LYS 45 2HE LYS 45 -22.032 -4.578 19.686 753 2HE LYS 45 1HE LYS 45 -23.445 -5.635 19.867 754 1HZ LYS 45 1HZ LYS 45 -21.461 -5.842 21.970 755 2HZ LYS 45 3HZ LYS 45 -22.282 -4.358 21.913 756 3HZ LYS 45 2HZ LYS 45 -23.156 -5.805 22.076 757 H ILE 46 H ILE 46 -20.118 -10.810 18.072 758 HA ILE 46 HA ILE 46 -21.946 -13.075 17.425 759 HB ILE 46 HB ILE 46 -19.211 -12.178 16.443 760 1HG1 ILE 46 2HG1 ILE 46 -20.538 -10.823 15.166 761 2HG1 ILE 46 1HG1 ILE 46 -20.856 -12.292 14.252 762 1HG2 ILE 46 1HG2 ILE 46 -19.725 -14.729 16.510 763 2HG2 ILE 46 3HG2 ILE 46 -20.830 -14.374 15.183 764 3HG2 ILE 46 2HG2 ILE 46 -19.109 -14.027 15.015 765 1HD1 ILE 46 3HD1 ILE 46 -22.547 -11.393 16.600 766 2HD1 ILE 46 2HD1 ILE 46 -22.931 -11.028 14.923 767 3HD1 ILE 46 1HD1 ILE 46 -22.900 -12.704 15.475 768 H ILE 47 HN ILE 47 -19.378 -12.161 19.525 769 HA ILE 47 HA ILE 47 -17.906 -14.490 19.999 770 HB ILE 47 HB ILE 47 -17.401 -12.468 21.154 771 1HG1 ILE 47 2HG1 ILE 47 -18.638 -13.870 23.476 772 2HG1 ILE 47 1HG1 ILE 47 -17.508 -14.806 22.496 773 1HG2 ILE 47 1HG2 ILE 47 -20.321 -12.542 21.762 774 2HG2 ILE 47 3HG2 ILE 47 -19.266 -11.773 22.949 775 3HG2 ILE 47 2HG2 ILE 47 -19.305 -11.180 21.289 776 1HD1 ILE 47 2HD1 ILE 47 -16.762 -12.026 23.354 777 2HD1 ILE 47 1HD1 ILE 47 -16.601 -13.358 24.500 778 3HD1 ILE 47 3HD1 ILE 47 -15.713 -13.393 22.975 779 1H GLY 1 3H GLY 1 40.230 17.032 7.497 780 2H GLY 1 2H GLY 1 39.693 18.192 8.615 781 3H GLY 1 1H GLY 1 40.608 16.864 9.142 782 1HA GLY 1 2HA GLY 1 38.771 15.706 9.489 783 2HA GLY 1 1HA GLY 1 37.824 17.078 8.910 784 H SER 2 H SER 2 39.074 13.954 8.105 785 HA SER 2 HA SER 2 38.807 13.995 5.262 786 1HB SER 2 2HB SER 2 39.739 12.000 5.786 787 2HB SER 2 1HB SER 2 39.190 12.132 7.454 788 HG SER 2 HG SER 2 37.899 10.570 6.880 789 H HIS 3 H HIS 3 36.992 13.899 3.959 790 HA HIS 3 HA HIS 3 34.340 13.549 5.323 791 1HB HIS 3 2HB HIS 3 33.554 14.939 3.339 792 2HB HIS 3 1HB HIS 3 34.639 15.776 4.450 793 HD1 HIS 3 HD1 HIS 3 34.998 13.643 1.296 794 HD2 HIS 3 HD2 HIS 3 36.729 16.972 3.110 795 HE1 HIS 3 HE1 HIS 3 36.789 14.472 -0.291 796 H MET 4 H MET 4 32.637 12.846 3.515 797 HA MET 4 HA MET 4 33.858 10.595 1.948 798 1HB MET 4 2HB MET 4 31.302 10.831 3.555 799 2HB MET 4 1HB MET 4 31.603 9.498 2.437 800 1HG MET 4 2HG MET 4 33.941 9.567 3.881 801 2HG MET 4 1HG MET 4 32.744 10.001 5.102 802 1HE MET 4 1HE MET 4 33.453 8.113 2.135 803 2HE MET 4 3HE MET 4 33.821 6.522 2.817 804 3HE MET 4 2HE MET 4 32.257 6.822 2.063 805 H GLU 5 H GLU 5 32.328 9.886 0.118 806 HA GLU 5 HA GLU 5 31.673 12.190 -1.541 807 1HB GLU 5 2HB GLU 5 31.063 9.236 -1.892 808 2HB GLU 5 1HB GLU 5 31.133 10.449 -3.170 809 1HG GLU 5 2HG GLU 5 33.541 10.211 -1.440 810 2HG GLU 5 1HG GLU 5 33.233 8.873 -2.549 811 H GLU 6 H GLU 6 29.653 13.126 -1.801 812 HA GLU 6 HA GLU 6 27.417 12.045 -0.167 813 1HB GLU 6 2HB GLU 6 27.967 14.379 0.115 814 2HB GLU 6 1HB GLU 6 27.950 14.646 -1.628 815 1HG GLU 6 2HG GLU 6 25.447 13.478 -0.729 816 2HG GLU 6 1HG GLU 6 25.792 14.979 0.130 817 H ASP 7 H ASP 7 25.985 10.714 -1.202 818 HA ASP 7 HA ASP 7 25.827 9.974 -3.842 819 1HB ASP 7 2HB ASP 7 24.447 9.424 -1.631 820 2HB ASP 7 1HB ASP 7 23.275 10.513 -2.373 821 HA PRO 8 HA PRO 8 24.675 13.765 -5.861 822 1HB PRO 8 2HB PRO 8 24.417 12.725 -8.377 823 2HB PRO 8 1HB PRO 8 25.990 13.058 -7.627 824 1HG PRO 8 2HG PRO 8 24.562 10.474 -7.954 825 2HG PRO 8 1HG PRO 8 26.294 10.828 -8.037 826 1HD PRO 8 2HD PRO 8 25.048 9.696 -5.866 827 2HD PRO 8 1HD PRO 8 26.575 10.600 -5.789 828 H CYS 9 H CYS 9 22.924 10.821 -6.961 829 HA CYS 9 HA CYS 9 20.365 12.337 -6.586 830 1HB CYS 9 2HB CYS 9 21.544 10.851 -8.893 831 2HB CYS 9 1HB CYS 9 19.797 10.738 -8.661 832 H GLU 10 H GLU 10 21.332 10.639 -4.563 833 HA GLU 10 HA GLU 10 20.881 8.622 -3.388 834 1HB GLU 10 2HB GLU 10 18.285 9.585 -4.608 835 2HB GLU 10 1HB GLU 10 18.342 8.304 -3.398 836 1HG GLU 10 2HG GLU 10 18.805 9.754 -1.707 837 2HG GLU 10 1HG GLU 10 19.894 10.719 -2.708 838 H CYS 11 H CYS 11 21.895 8.066 -6.059 839 HA CYS 11 HA CYS 11 20.484 6.386 -7.727 840 1HB CYS 11 2HB CYS 11 23.288 6.537 -6.719 841 2HB CYS 11 1HB CYS 11 22.844 5.109 -7.661 842 H LYS 12 H LYS 12 21.449 5.724 -4.431 843 HA LYS 12 HA LYS 12 20.252 2.984 -4.690 844 1HB LYS 12 2HB LYS 12 22.504 3.967 -2.907 845 2HB LYS 12 1HB LYS 12 21.897 2.311 -2.978 846 1HG LYS 12 2HG LYS 12 23.476 1.973 -4.565 847 2HG LYS 12 1HG LYS 12 22.413 2.887 -5.635 848 1HD LYS 12 2HD LYS 12 23.694 4.790 -5.511 849 2HD LYS 12 1HD LYS 12 24.200 4.466 -3.853 850 1HE LYS 12 2HE LYS 12 26.171 3.723 -4.694 851 2HE LYS 12 1HE LYS 12 25.280 2.361 -5.403 852 1HZ LYS 12 1HZ LYS 12 25.433 5.051 -6.651 853 2HZ LYS 12 3HZ LYS 12 26.478 3.777 -7.057 854 3HZ LYS 12 2HZ LYS 12 24.809 3.629 -7.340 855 H SER 13 H SER 13 20.034 6.046 -3.225 856 HA SER 13 HA SER 13 18.881 5.159 -0.676 857 1HB SER 13 2HB SER 13 19.528 7.681 -2.121 858 2HB SER 13 1HB SER 13 18.295 7.786 -0.871 859 HG SER 13 HG SER 13 20.786 6.504 -0.471 860 H ILE 14 H ILE 14 17.709 6.074 -3.851 861 HA ILE 14 HA ILE 14 14.904 6.376 -3.030 862 HB ILE 14 HB ILE 14 16.399 6.185 -5.655 863 1HG1 ILE 14 2HG1 ILE 14 15.012 8.624 -4.616 864 2HG1 ILE 14 1HG1 ILE 14 16.567 8.178 -3.917 865 1HG2 ILE 14 2HG2 ILE 14 13.997 5.456 -5.834 866 2HG2 ILE 14 1HG2 ILE 14 13.522 7.038 -5.216 867 3HG2 ILE 14 3HG2 ILE 14 14.365 6.911 -6.760 868 1HD1 ILE 14 2HD1 ILE 14 16.051 8.522 -6.884 869 2HD1 ILE 14 1HD1 ILE 14 16.815 9.729 -5.852 870 3HD1 ILE 14 3HD1 ILE 14 17.605 8.177 -6.126 871 H VAL 15 H VAL 15 16.952 3.967 -4.581 872 HA VAL 15 HA VAL 15 14.726 2.118 -5.072 873 HB VAL 15 HB VAL 15 17.575 1.224 -5.160 874 1HG1 VAL 15 3HG1 VAL 15 15.051 0.942 -6.751 875 2HG1 VAL 15 2HG1 VAL 15 16.593 0.672 -7.564 876 3HG1 VAL 15 1HG1 VAL 15 16.149 -0.308 -6.165 877 1HG2 VAL 15 2HG2 VAL 15 16.464 3.503 -6.811 878 2HG2 VAL 15 1HG2 VAL 15 18.012 3.419 -5.972 879 3HG2 VAL 15 3HG2 VAL 15 17.747 2.466 -7.430 880 H LYS 16 H LYS 16 17.012 2.833 -2.571 881 HA LYS 16 HA LYS 16 16.823 0.251 -1.189 882 1HB LYS 16 2HB LYS 16 17.922 2.999 -0.706 883 2HB LYS 16 1HB LYS 16 17.648 1.976 0.699 884 1HG LYS 16 2HG LYS 16 19.968 1.894 -0.570 885 2HG LYS 16 1HG LYS 16 19.244 0.415 0.057 886 1HD LYS 16 2HD LYS 16 18.500 -0.267 -2.074 887 2HD LYS 16 1HD LYS 16 18.669 1.349 -2.754 888 1HE LYS 16 2HE LYS 16 20.720 0.716 -3.497 889 2HE LYS 16 1HE LYS 16 21.242 0.661 -1.800 890 1HZ LYS 16 1HZ LYS 16 19.737 -1.544 -3.089 891 2HZ LYS 16 3HZ LYS 16 21.432 -1.497 -3.063 892 3HZ LYS 16 2HZ LYS 16 20.564 -1.573 -1.604 893 H PHE 17 H PHE 17 15.339 3.448 -1.014 894 HA PHE 17 HA PHE 17 13.603 2.924 1.231 895 1HB PHE 17 2HB PHE 17 13.830 5.188 0.731 896 2HB PHE 17 1HB PHE 17 13.888 4.897 -1.007 897 HD1 PHE 17 HD2 PHE 17 11.736 4.208 -2.196 898 HD2 PHE 17 HD1 PHE 17 11.802 5.801 1.791 899 HE1 PHE 17 HE2 PHE 17 9.328 4.765 -2.382 900 HE2 PHE 17 HE1 PHE 17 9.394 6.357 1.608 901 HZ PHE 17 HZ PHE 17 8.153 5.844 -0.480 902 H GLN 18 H GLN 18 13.469 2.324 -2.236 903 HA GLN 18 HA GLN 18 10.691 1.724 -2.511 904 1HB GLN 18 2HB GLN 18 13.256 1.061 -3.902 905 2HB GLN 18 1HB GLN 18 11.805 0.176 -4.373 906 1HG GLN 18 2HG GLN 18 10.660 2.460 -4.568 907 2HG GLN 18 1HG GLN 18 12.277 3.156 -4.474 908 1HE2 GLN 18 2HE2 GLN 18 12.884 0.854 -7.554 909 2HE2 GLN 18 1HE2 GLN 18 13.222 0.521 -5.924 910 H THR 19 H THR 19 13.458 -0.425 -1.808 911 HA THR 19 HA THR 19 12.026 -2.872 -1.602 912 HB THR 19 HB THR 19 14.539 -1.721 -0.388 913 HG1 THR 19 HG1 THR 19 13.980 -2.783 -2.644 914 1HG2 THR 19 2HG2 THR 19 13.245 -4.381 0.214 915 2HG2 THR 19 1HG2 THR 19 14.988 -4.149 0.348 916 3HG2 THR 19 3HG2 THR 19 13.891 -3.198 1.350 917 H LYS 20 H LYS 20 12.555 -0.279 0.769 918 HA LYS 20 HA LYS 20 11.426 -1.617 3.047 919 1HB LYS 20 2HB LYS 20 11.629 1.301 2.227 920 2HB LYS 20 1HB LYS 20 11.163 0.766 3.842 921 1HG LYS 20 2HG LYS 20 13.649 -0.424 2.735 922 2HG LYS 20 1HG LYS 20 13.726 1.285 3.162 923 1HD LYS 20 2HD LYS 20 12.555 0.509 5.377 924 2HD LYS 20 1HD LYS 20 13.180 -1.080 4.932 925 1HE LYS 20 2HE LYS 20 15.322 0.721 4.524 926 2HE LYS 20 1HE LYS 20 14.611 1.145 6.094 927 1HZ LYS 20 1HZ LYS 20 15.134 -1.654 5.267 928 2HZ LYS 20 3HZ LYS 20 16.266 -0.734 6.136 929 3HZ LYS 20 2HZ LYS 20 14.750 -1.082 6.819 930 H VAL 21 H VAL 21 10.074 0.181 0.353 931 HA VAL 21 HA VAL 21 7.347 0.271 1.406 932 HB VAL 21 HB VAL 21 8.909 1.052 -1.005 933 1HG1 VAL 21 2HG1 VAL 21 5.925 0.538 -1.088 934 2HG1 VAL 21 1HG1 VAL 21 6.773 1.555 -2.254 935 3HG1 VAL 21 3HG1 VAL 21 7.159 -0.162 -2.137 936 1HG2 VAL 21 3HG2 VAL 21 6.791 2.310 0.752 937 2HG2 VAL 21 2HG2 VAL 21 8.502 2.728 0.655 938 3HG2 VAL 21 1HG2 VAL 21 7.425 3.106 -0.690 939 H GLU 22 H GLU 22 9.341 -1.962 -0.340 940 HA GLU 22 HA GLU 22 7.239 -3.476 -1.641 941 1HB GLU 22 2HB GLU 22 10.160 -3.677 -1.053 942 2HB GLU 22 1HB GLU 22 9.327 -5.169 -1.483 943 1HG GLU 22 2HG GLU 22 9.378 -2.609 -3.110 944 2HG GLU 22 1HG GLU 22 10.201 -4.118 -3.506 945 H GLU 23 H GLU 23 9.192 -4.004 1.312 946 HA GLU 23 HA GLU 23 7.769 -6.396 2.108 947 1HB GLU 23 2HB GLU 23 9.340 -4.427 3.801 948 2HB GLU 23 1HB GLU 23 9.083 -6.140 4.129 949 1HG GLU 23 2HG GLU 23 10.180 -5.889 1.498 950 2HG GLU 23 1HG GLU 23 11.177 -4.948 2.607 951 H LEU 24 H LEU 24 7.425 -2.937 2.870 952 HA LEU 24 HA LEU 24 5.472 -3.208 4.955 953 1HB LEU 24 2HB LEU 24 6.929 -1.207 3.941 954 2HB LEU 24 1HB LEU 24 5.445 -0.915 3.032 955 HG LEU 24 HG LEU 24 4.161 -0.839 5.131 956 1HD1 LEU 24 2HD1 LEU 24 6.568 -2.049 6.155 957 2HD1 LEU 24 1HD1 LEU 24 6.224 -0.572 7.055 958 3HD1 LEU 24 3HD1 LEU 24 5.009 -1.847 6.955 959 1HD2 LEU 24 1HD2 LEU 24 6.543 0.951 4.741 960 2HD2 LEU 24 3HD2 LEU 24 4.831 1.319 4.543 961 3HD2 LEU 24 2HD2 LEU 24 5.519 1.177 6.159 962 H ILE 25 H ILE 25 5.139 -2.658 1.437 963 HA ILE 25 HA ILE 25 2.306 -2.583 1.319 964 HB ILE 25 HB ILE 25 4.609 -2.854 -0.449 965 1HG1 ILE 25 2HG1 ILE 25 3.317 -1.378 -1.829 966 2HG1 ILE 25 1HG1 ILE 25 1.809 -1.880 -1.062 967 1HG2 ILE 25 2HG2 ILE 25 2.129 -4.455 -1.108 968 2HG2 ILE 25 1HG2 ILE 25 3.183 -3.812 -2.367 969 3HG2 ILE 25 3HG2 ILE 25 3.815 -4.968 -1.194 970 1HD1 ILE 25 3HD1 ILE 25 3.770 -0.900 0.872 971 2HD1 ILE 25 2HD1 ILE 25 3.345 0.318 -0.332 972 3HD1 ILE 25 1HD1 ILE 25 2.085 -0.432 0.649 973 H ASN 26 H ASN 26 4.550 -5.348 1.392 974 HA ASN 26 HA ASN 26 2.618 -7.395 0.826 975 1HB ASN 26 2HB ASN 26 5.247 -7.355 1.007 976 2HB ASN 26 1HB ASN 26 4.945 -7.749 2.699 977 1HD2 ASN 26 2HD2 ASN 26 5.172 -10.989 0.873 978 2HD2 ASN 26 1HD2 ASN 26 6.234 -9.707 1.209 979 H THR 27 H THR 27 3.718 -5.891 3.839 980 HA THR 27 HA THR 27 2.212 -7.517 5.661 981 HB THR 27 HB THR 27 3.314 -4.697 5.691 982 HG1 THR 27 HG1 THR 27 4.698 -6.598 5.700 983 1HG2 THR 27 1HG2 THR 27 1.638 -6.138 7.694 984 2HG2 THR 27 3HG2 THR 27 3.001 -5.198 8.301 985 3HG2 THR 27 2HG2 THR 27 1.742 -4.411 7.350 986 H LEU 28 H LEU 28 1.403 -4.677 3.725 987 HA LEU 28 HA LEU 28 -1.114 -4.086 5.030 988 1HB LEU 28 2HB LEU 28 0.321 -3.392 2.486 989 2HB LEU 28 1HB LEU 28 -1.391 -2.986 2.620 990 HG LEU 28 HG LEU 28 0.318 -2.300 4.952 991 1HD1 LEU 28 2HD1 LEU 28 0.607 -1.094 2.213 992 2HD1 LEU 28 1HD1 LEU 28 0.784 -0.069 3.638 993 3HD1 LEU 28 3HD1 LEU 28 1.855 -1.451 3.407 994 1HD2 LEU 28 3HD2 LEU 28 -2.237 -1.609 3.793 995 2HD2 LEU 28 2HD2 LEU 28 -1.609 -1.212 5.392 996 3HD2 LEU 28 1HD2 LEU 28 -1.275 -0.150 4.025 997 H GLN 29 H GLN 29 -0.233 -5.864 2.067 998 HA GLN 29 HA GLN 29 -2.921 -6.678 1.405 999 1HB GLN 29 2HB GLN 29 -0.599 -6.571 0.113 1000 2HB GLN 29 1HB GLN 29 -0.456 -8.230 0.689 1001 1HG GLN 29 2HG GLN 29 -3.038 -8.200 -0.240 1002 2HG GLN 29 1HG GLN 29 -2.241 -7.108 -1.374 1003 1HE2 GLN 29 2HE2 GLN 29 -1.499 -11.085 -1.574 1004 2HE2 GLN 29 1HE2 GLN 29 -2.604 -10.443 -0.457 1005 H GLN 30 H GLN 30 -0.700 -7.608 3.817 1006 HA GLN 30 HA GLN 30 -1.583 -10.393 4.102 1007 1HB GLN 30 2HB GLN 30 0.194 -8.451 5.577 1008 2HB GLN 30 1HB GLN 30 -0.199 -10.021 6.278 1009 1HG GLN 30 2HG GLN 30 0.599 -10.153 3.453 1010 2HG GLN 30 1HG GLN 30 1.861 -9.556 4.527 1011 1HE2 GLN 30 2HE2 GLN 30 2.591 -12.805 5.648 1012 2HE2 GLN 30 1HE2 GLN 30 3.142 -11.238 5.299 1013 H LYS 31 H LYS 31 -1.864 -7.391 6.024 1014 HA LYS 31 HA LYS 31 -3.761 -8.448 7.921 1015 1HB LYS 31 2HB LYS 31 -2.524 -5.890 7.150 1016 2HB LYS 31 1HB LYS 31 -4.159 -5.708 7.785 1017 1HG LYS 31 2HG LYS 31 -3.585 -6.833 9.828 1018 2HG LYS 31 1HG LYS 31 -2.025 -7.340 9.180 1019 1HD LYS 31 2HD LYS 31 -1.536 -4.819 8.895 1020 2HD LYS 31 1HD LYS 31 -2.908 -4.566 9.975 1021 1HE LYS 31 2HE LYS 31 -0.624 -6.425 10.695 1022 2HE LYS 31 1HE LYS 31 -0.628 -4.703 11.128 1023 1HZ LYS 31 1HZ LYS 31 -2.867 -6.564 11.713 1024 2HZ LYS 31 3HZ LYS 31 -1.659 -6.167 12.837 1025 3HZ LYS 31 2HZ LYS 31 -2.700 -4.960 12.249 1026 H LEU 32 H LEU 32 -4.004 -7.398 4.653 1027 HA LEU 32 HA LEU 32 -6.850 -6.702 4.720 1028 1HB LEU 32 2HB LEU 32 -4.845 -5.952 3.170 1029 2HB LEU 32 1HB LEU 32 -5.260 -7.406 2.266 1030 HG LEU 32 HG LEU 32 -7.537 -6.628 1.951 1031 1HD1 LEU 32 1HD1 LEU 32 -6.664 -4.462 3.859 1032 2HD1 LEU 32 3HD1 LEU 32 -8.017 -4.213 2.757 1033 3HD1 LEU 32 2HD1 LEU 32 -8.083 -5.504 3.954 1034 1HD2 LEU 32 3HD2 LEU 32 -5.298 -4.723 1.309 1035 2HD2 LEU 32 2HD2 LEU 32 -6.208 -5.773 0.223 1036 3HD2 LEU 32 1HD2 LEU 32 -6.954 -4.308 0.863 1037 H GLU 33 H GLU 33 -4.889 -9.420 3.431 1038 HA GLU 33 HA GLU 33 -7.152 -10.987 2.565 1039 1HB GLU 33 2HB GLU 33 -4.947 -11.380 1.678 1040 2HB GLU 33 1HB GLU 33 -4.274 -11.602 3.293 1041 1HG GLU 33 2HG GLU 33 -5.079 -13.739 3.487 1042 2HG GLU 33 1HG GLU 33 -6.526 -13.390 2.542 1043 H ALA 34 H ALA 34 -5.732 -10.363 5.646 1044 HA ALA 34 HA ALA 34 -6.899 -12.767 6.920 1045 1HB ALA 34 2HB ALA 34 -4.657 -11.751 7.517 1046 2HB ALA 34 1HB ALA 34 -5.521 -10.331 8.106 1047 3HB ALA 34 3HB ALA 34 -5.755 -11.893 8.891 1048 H VAL 35 H VAL 35 -7.389 -9.309 6.575 1049 HA VAL 35 HA VAL 35 -9.481 -8.953 8.501 1050 HB VAL 35 HB VAL 35 -8.260 -7.593 6.170 1051 1HG1 VAL 35 1HG1 VAL 35 -10.671 -7.555 5.539 1052 2HG1 VAL 35 3HG1 VAL 35 -11.034 -6.792 7.087 1053 3HG1 VAL 35 2HG1 VAL 35 -10.039 -5.948 5.899 1054 1HG2 VAL 35 2HG2 VAL 35 -7.646 -7.111 8.504 1055 2HG2 VAL 35 1HG2 VAL 35 -8.333 -5.683 7.732 1056 3HG2 VAL 35 3HG2 VAL 35 -9.309 -6.637 8.848 1057 H ALA 36 H ALA 36 -9.432 -9.932 5.079 1058 HA ALA 36 HA ALA 36 -12.302 -10.032 4.739 1059 1HB ALA 36 1HB ALA 36 -10.191 -10.082 3.093 1060 2HB ALA 36 3HB ALA 36 -10.413 -11.824 3.252 1061 3HB ALA 36 2HB ALA 36 -11.724 -10.822 2.628 1062 H LYS 37 H LYS 37 -9.849 -12.237 5.964 1063 HA LYS 37 HA LYS 37 -11.490 -14.625 5.979 1064 1HB LYS 37 2HB LYS 37 -8.836 -13.756 6.655 1065 2HB LYS 37 1HB LYS 37 -9.494 -14.661 8.019 1066 1HG LYS 37 2HG LYS 37 -9.620 -16.624 6.837 1067 2HG LYS 37 1HG LYS 37 -9.953 -15.805 5.310 1068 1HD LYS 37 2HD LYS 37 -7.785 -15.965 4.743 1069 2HD LYS 37 1HD LYS 37 -7.339 -15.035 6.175 1070 1HE LYS 37 2HE LYS 37 -8.055 -17.881 6.661 1071 2HE LYS 37 1HE LYS 37 -6.526 -17.589 5.806 1072 1HZ LYS 37 1HZ LYS 37 -6.028 -15.880 7.519 1073 2HZ LYS 37 3HZ LYS 37 -7.390 -16.399 8.386 1074 3HZ LYS 37 2HZ LYS 37 -6.089 -17.463 8.135 1075 H ARG 38 H ARG 38 -10.929 -11.970 8.245 1076 HA ARG 38 HA ARG 38 -12.331 -13.211 10.472 1077 1HB ARG 38 2HB ARG 38 -11.876 -10.260 9.969 1078 2HB ARG 38 1HB ARG 38 -11.933 -11.103 11.515 1079 1HG ARG 38 2HG ARG 38 -9.895 -12.368 10.024 1080 2HG ARG 38 1HG ARG 38 -9.658 -10.634 9.803 1081 1HD ARG 38 2HD ARG 38 -9.119 -10.296 12.009 1082 2HD ARG 38 1HD ARG 38 -10.277 -11.514 12.580 1083 HE ARG 38 HE ARG 38 -8.427 -13.039 11.240 1084 1HH1 ARG 38 1HH2 ARG 38 -8.642 -11.241 14.116 1085 2HH1 ARG 38 2HH2 ARG 38 -7.021 -11.572 14.631 1086 1HH2 ARG 38 2HH1 ARG 38 -6.133 -13.186 11.686 1087 2HH2 ARG 38 1HH1 ARG 38 -5.598 -12.677 13.253 1088 H ILE 39 H ILE 39 -13.125 -11.007 7.830 1089 HA ILE 39 HA ILE 39 -15.755 -10.241 8.589 1090 HB ILE 39 HB ILE 39 -14.345 -10.734 5.954 1091 1HG1 ILE 39 2HG1 ILE 39 -13.658 -8.842 7.510 1092 2HG1 ILE 39 1HG1 ILE 39 -14.143 -8.341 5.891 1093 1HG2 ILE 39 3HG2 ILE 39 -17.185 -10.312 6.468 1094 2HG2 ILE 39 2HG2 ILE 39 -16.501 -9.035 5.461 1095 3HG2 ILE 39 1HG2 ILE 39 -16.369 -10.720 4.958 1096 1HD1 ILE 39 3HD1 ILE 39 -16.157 -8.461 8.121 1097 2HD1 ILE 39 2HD1 ILE 39 -15.123 -7.047 7.916 1098 3HD1 ILE 39 1HD1 ILE 39 -16.220 -7.531 6.624 1099 H GLU 40 H GLU 40 -14.561 -13.046 6.747 1100 HA GLU 40 HA GLU 40 -17.134 -14.257 6.301 1101 1HB GLU 40 2HB GLU 40 -14.379 -15.517 6.581 1102 2HB GLU 40 1HB GLU 40 -15.763 -16.221 5.745 1103 1HG GLU 40 2HG GLU 40 -15.280 -13.556 4.751 1104 2HG GLU 40 1HG GLU 40 -13.800 -14.509 4.648 1105 H ALA 41 H ALA 41 -14.779 -14.338 8.929 1106 HA ALA 41 HA ALA 41 -15.811 -16.502 10.460 1107 1HB ALA 41 2HB ALA 41 -13.823 -14.608 10.655 1108 2HB ALA 41 1HB ALA 41 -14.935 -14.087 11.921 1109 3HB ALA 41 3HB ALA 41 -14.263 -15.716 11.954 1110 H LEU 42 H LEU 42 -16.860 -13.172 10.056 1111 HA LEU 42 HA LEU 42 -18.922 -13.330 12.145 1112 1HB LEU 42 2HB LEU 42 -18.106 -11.336 10.012 1113 2HB LEU 42 1HB LEU 42 -19.475 -11.056 11.075 1114 HG LEU 42 HG LEU 42 -17.969 -10.072 12.451 1115 1HD1 LEU 42 2HD1 LEU 42 -16.987 -12.915 12.848 1116 2HD1 LEU 42 1HD1 LEU 42 -16.715 -11.570 13.955 1117 3HD1 LEU 42 3HD1 LEU 42 -18.350 -12.173 13.686 1118 1HD2 LEU 42 3HD2 LEU 42 -16.258 -10.920 10.371 1119 2HD2 LEU 42 2HD2 LEU 42 -15.937 -9.689 11.594 1120 3HD2 LEU 42 1HD2 LEU 42 -15.464 -11.364 11.882 1121 H GLU 43 H GLU 43 -18.626 -13.665 8.656 1122 HA GLU 43 HA GLU 43 -21.458 -13.633 8.048 1123 1HB GLU 43 2HB GLU 43 -19.046 -14.830 6.642 1124 2HB GLU 43 1HB GLU 43 -20.621 -14.554 5.896 1125 1HG GLU 43 2HG GLU 43 -20.015 -12.117 7.076 1126 2HG GLU 43 1HG GLU 43 -18.469 -12.662 6.427 1127 H ASN 44 H ASN 44 -19.311 -15.912 9.448 1128 HA ASN 44 HA ASN 44 -20.741 -18.333 8.679 1129 1HB ASN 44 2HB ASN 44 -18.554 -17.496 10.559 1130 2HB ASN 44 1HB ASN 44 -19.295 -19.083 10.783 1131 1HD2 ASN 44 2HD2 ASN 44 -17.967 -20.429 7.752 1132 2HD2 ASN 44 1HD2 ASN 44 -19.186 -20.609 8.919 1133 H LYS 45 H LYS 45 -21.118 -15.842 11.039 1134 HA LYS 45 HA LYS 45 -23.108 -17.501 12.546 1135 1HB LYS 45 2HB LYS 45 -22.127 -14.884 13.587 1136 2HB LYS 45 1HB LYS 45 -22.434 -16.385 14.452 1137 1HG LYS 45 2HG LYS 45 -20.006 -15.664 12.793 1138 2HG LYS 45 1HG LYS 45 -20.065 -16.065 14.508 1139 1HD LYS 45 2HD LYS 45 -21.211 -18.199 12.897 1140 2HD LYS 45 1HD LYS 45 -19.557 -17.839 12.399 1141 1HE LYS 45 2HE LYS 45 -18.697 -18.251 14.591 1142 2HE LYS 45 1HE LYS 45 -20.320 -18.221 15.309 1143 1HZ LYS 45 1HZ LYS 45 -19.853 -20.086 13.110 1144 2HZ LYS 45 3HZ LYS 45 -19.160 -20.478 14.607 1145 3HZ LYS 45 2HZ LYS 45 -20.840 -20.254 14.482 1146 H ILE 46 H ILE 46 -22.674 -14.813 10.433 1147 HA ILE 46 HA ILE 46 -25.311 -13.627 11.147 1148 HB ILE 46 HB ILE 46 -23.046 -12.825 9.286 1149 1HG1 ILE 46 2HG1 ILE 46 -22.172 -12.139 11.291 1150 2HG1 ILE 46 1HG1 ILE 46 -23.294 -10.803 11.095 1151 1HG2 ILE 46 1HG2 ILE 46 -25.555 -12.137 8.776 1152 2HG2 ILE 46 3HG2 ILE 46 -25.247 -10.954 10.046 1153 3HG2 ILE 46 2HG2 ILE 46 -24.240 -10.978 8.598 1154 1HD1 ILE 46 3HD1 ILE 46 -24.004 -13.359 12.561 1155 2HD1 ILE 46 2HD1 ILE 46 -23.383 -11.917 13.358 1156 3HD1 ILE 46 1HD1 ILE 46 -24.930 -11.859 12.515 1157 H ILE 47 HN ILE 47 -23.809 -15.761 8.888 1158 HA ILE 47 HA ILE 47 -25.199 -15.457 6.490 1159 HB ILE 47 HB ILE 47 -23.542 -17.150 6.717 1160 1HG1 ILE 47 2HG1 ILE 47 -25.817 -19.043 6.789 1161 2HG1 ILE 47 1HG1 ILE 47 -25.978 -17.728 5.625 1162 1HG2 ILE 47 1HG2 ILE 47 -25.088 -17.783 9.175 1163 2HG2 ILE 47 3HG2 ILE 47 -24.328 -19.149 8.357 1164 3HG2 ILE 47 2HG2 ILE 47 -23.345 -17.792 8.908 1165 1HD1 ILE 47 2HD1 ILE 47 -23.377 -19.211 5.792 1166 2HD1 ILE 47 1HD1 ILE 47 -24.732 -19.952 4.939 1167 3HD1 ILE 47 3HD1 ILE 47 -24.106 -18.388 4.412 No H/Q in entry = 1167 Start of MODEL 14 1 1H GLY 1 2H GLY 1 16.109 -10.778 -17.826 2 2H GLY 1 1H GLY 1 14.612 -11.582 -17.851 3 3H GLY 1 3H GLY 1 16.053 -12.475 -17.878 4 1HA GLY 1 2HA GLY 1 16.383 -12.189 -20.065 5 2HA GLY 1 1HA GLY 1 14.642 -11.904 -20.059 6 H SER 2 H SER 2 17.775 -10.413 -20.362 7 HA SER 2 HA SER 2 16.437 -7.927 -21.319 8 1HB SER 2 2HB SER 2 17.097 -7.864 -18.839 9 2HB SER 2 1HB SER 2 18.769 -7.915 -19.389 10 HG SER 2 HG SER 2 16.849 -5.904 -19.612 11 H HIS 3 H HIS 3 17.935 -6.595 -22.632 12 HA HIS 3 HA HIS 3 20.116 -8.251 -23.853 13 1HB HIS 3 2HB HIS 3 17.856 -7.109 -24.947 14 2HB HIS 3 1HB HIS 3 19.088 -5.898 -25.299 15 HD1 HIS 3 HD1 HIS 3 19.195 -6.487 -27.821 16 HD2 HIS 3 HD2 HIS 3 20.063 -9.704 -25.316 17 HE1 HIS 3 HE1 HIS 3 20.169 -8.299 -29.296 18 H MET 4 H MET 4 21.366 -6.169 -25.257 19 HA MET 4 HA MET 4 23.011 -4.973 -23.174 20 1HB MET 4 2HB MET 4 22.907 -5.240 -26.116 21 2HB MET 4 1HB MET 4 23.693 -3.768 -25.543 22 1HG MET 4 2HG MET 4 25.428 -5.392 -25.665 23 2HG MET 4 1HG MET 4 25.020 -5.276 -23.953 24 1HE MET 4 3HE MET 4 24.954 -6.801 -27.135 25 2HE MET 4 2HE MET 4 25.057 -8.533 -26.828 26 3HE MET 4 1HE MET 4 23.487 -7.791 -27.126 27 H GLU 5 H GLU 5 21.396 -3.647 -22.034 28 HA GLU 5 HA GLU 5 20.662 -1.150 -23.533 29 1HB GLU 5 2HB GLU 5 19.100 -3.109 -22.130 30 2HB GLU 5 1HB GLU 5 18.980 -1.573 -21.272 31 1HG GLU 5 2HG GLU 5 17.278 -1.362 -22.858 32 2HG GLU 5 1HG GLU 5 18.629 -0.574 -23.673 33 H GLU 6 H GLU 6 21.611 0.664 -22.673 34 HA GLU 6 HA GLU 6 23.440 0.784 -20.589 35 1HB GLU 6 2HB GLU 6 21.636 2.636 -22.018 36 2HB GLU 6 1HB GLU 6 22.188 3.227 -20.450 37 1HG GLU 6 2HG GLU 6 24.468 2.101 -21.621 38 2HG GLU 6 1HG GLU 6 23.673 2.967 -22.936 39 H ASP 7 H ASP 7 23.240 1.519 -18.343 40 HA ASP 7 HA ASP 7 20.789 1.895 -16.967 41 1HB ASP 7 2HB ASP 7 20.363 -0.410 -17.650 42 2HB ASP 7 1HB ASP 7 21.920 -0.919 -16.999 43 HA PRO 8 HA PRO 8 24.789 2.546 -14.704 44 1HB PRO 8 2HB PRO 8 24.476 5.239 -14.336 45 2HB PRO 8 1HB PRO 8 25.243 4.543 -15.776 46 1HG PRO 8 2HG PRO 8 22.490 5.606 -15.428 47 2HG PRO 8 1HG PRO 8 23.577 5.716 -16.819 48 1HD PRO 8 2HD PRO 8 21.481 3.960 -16.645 49 2HD PRO 8 1HD PRO 8 22.920 3.697 -17.653 50 H CYS 9 H CYS 9 21.794 4.425 -14.045 51 HA CYS 9 HA CYS 9 21.866 3.354 -11.247 52 1HB CYS 9 2HB CYS 9 21.710 6.118 -12.368 53 2HB CYS 9 1HB CYS 9 20.780 5.778 -10.908 54 H GLU 10 H GLU 10 20.322 2.099 -13.219 55 HA GLU 10 HA GLU 10 18.093 1.624 -13.890 56 1HB GLU 10 2HB GLU 10 18.079 2.194 -10.919 57 2HB GLU 10 1HB GLU 10 16.680 1.516 -11.753 58 1HG GLU 10 2HG GLU 10 17.882 -0.438 -12.395 59 2HG GLU 10 1HG GLU 10 19.431 0.282 -11.959 60 H CYS 11 H CYS 11 18.740 4.396 -14.435 61 HA CYS 11 HA CYS 11 17.097 6.392 -13.467 62 1HB CYS 11 2HB CYS 11 18.216 5.640 -16.125 63 2HB CYS 11 1HB CYS 11 17.025 6.943 -16.094 64 H LYS 12 H LYS 12 16.132 3.614 -15.385 65 HA LYS 12 HA LYS 12 13.303 4.620 -15.328 66 1HB LYS 12 2HB LYS 12 14.927 3.101 -17.371 67 2HB LYS 12 1HB LYS 12 13.163 3.049 -17.397 68 1HG LYS 12 2HG LYS 12 13.307 4.946 -18.629 69 2HG LYS 12 1HG LYS 12 13.666 5.743 -17.098 70 1HD LYS 12 2HD LYS 12 15.919 5.905 -17.547 71 2HD LYS 12 1HD LYS 12 15.939 4.430 -18.514 72 1HE LYS 12 2HE LYS 12 15.370 5.533 -20.454 73 2HE LYS 12 1HE LYS 12 14.348 6.708 -19.605 74 1HZ LYS 12 3HZ LYS 12 16.935 7.029 -18.635 75 2HZ LYS 12 2HZ LYS 12 17.072 6.946 -20.325 76 3HZ LYS 12 1HZ LYS 12 16.060 8.107 -19.609 77 H SER 13 H SER 13 15.459 2.249 -14.207 78 HA SER 13 HA SER 13 13.541 0.026 -14.091 79 1HB SER 13 2HB SER 13 16.367 0.617 -13.356 80 2HB SER 13 1HB SER 13 15.583 -0.694 -12.484 81 HG SER 13 HG SER 13 16.683 -0.937 -14.749 82 H ILE 14 H ILE 14 14.606 2.633 -12.011 83 HA ILE 14 HA ILE 14 13.412 1.533 -9.562 84 HB ILE 14 HB ILE 14 14.635 4.167 -10.416 85 1HG1 ILE 14 2HG1 ILE 14 15.718 2.247 -8.377 86 2HG1 ILE 14 1HG1 ILE 14 15.952 1.924 -10.092 87 1HG2 ILE 14 2HG2 ILE 14 12.944 4.485 -8.599 88 2HG2 ILE 14 1HG2 ILE 14 13.826 3.316 -7.618 89 3HG2 ILE 14 3HG2 ILE 14 14.588 4.839 -8.072 90 1HD1 ILE 14 2HD1 ILE 14 16.967 4.158 -10.377 91 2HD1 ILE 14 1HD1 ILE 14 16.758 4.468 -8.654 92 3HD1 ILE 14 3HD1 ILE 14 17.856 3.198 -9.193 93 H VAL 15 H VAL 15 12.659 3.906 -12.044 94 HA VAL 15 HA VAL 15 10.192 4.803 -10.710 95 HB VAL 15 HB VAL 15 10.812 5.391 -13.584 96 1HG1 VAL 15 2HG1 VAL 15 9.966 6.997 -11.155 97 2HG1 VAL 15 1HG1 VAL 15 10.268 7.713 -12.738 98 3HG1 VAL 15 3HG1 VAL 15 8.964 6.542 -12.533 99 1HG2 VAL 15 2HG2 VAL 15 12.578 6.157 -11.250 100 2HG2 VAL 15 1HG2 VAL 15 13.061 5.528 -12.825 101 3HG2 VAL 15 3HG2 VAL 15 12.466 7.181 -12.680 102 H LYS 16 H LYS 16 11.269 2.406 -12.929 103 HA LYS 16 HA LYS 16 8.725 1.860 -14.238 104 1HB LYS 16 2HB LYS 16 10.680 1.096 -15.344 105 2HB LYS 16 1HB LYS 16 11.386 0.483 -13.848 106 1HG LYS 16 2HG LYS 16 8.820 -0.772 -14.464 107 2HG LYS 16 1HG LYS 16 10.020 -1.033 -15.731 108 1HD LYS 16 2HD LYS 16 11.601 -1.535 -13.652 109 2HD LYS 16 1HD LYS 16 10.064 -1.903 -12.867 110 1HE LYS 16 2HE LYS 16 9.528 -3.578 -14.529 111 2HE LYS 16 1HE LYS 16 10.918 -3.105 -15.524 112 1HZ LYS 16 1HZ LYS 16 11.703 -3.589 -12.833 113 2HZ LYS 16 3HZ LYS 16 10.920 -4.951 -13.471 114 3HZ LYS 16 2HZ LYS 16 12.278 -4.306 -14.261 115 H PHE 17 H PHE 17 10.566 0.542 -11.496 116 HA PHE 17 HA PHE 17 8.605 -1.431 -10.716 117 1HB PHE 17 2HB PHE 17 10.719 -1.797 -9.812 118 2HB PHE 17 1HB PHE 17 11.030 -0.076 -9.589 119 HD1 PHE 17 HD1 PHE 17 9.842 1.158 -7.727 120 HD2 PHE 17 HD2 PHE 17 9.818 -3.122 -8.055 121 HE1 PHE 17 HE1 PHE 17 9.148 0.984 -5.354 122 HE2 PHE 17 HE2 PHE 17 9.124 -3.301 -5.683 123 HZ PHE 17 HZ PHE 17 8.787 -1.248 -4.331 124 H GLN 18 H GLN 18 9.098 2.000 -10.085 125 HA GLN 18 HA GLN 18 7.371 2.386 -7.870 126 1HB GLN 18 2HB GLN 18 8.397 3.979 -10.178 127 2HB GLN 18 1HB GLN 18 7.079 4.677 -9.238 128 1HG GLN 18 2HG GLN 18 8.537 4.027 -7.170 129 2HG GLN 18 1HG GLN 18 9.856 3.947 -8.337 130 1HE2 GLN 18 2HE2 GLN 18 8.733 7.588 -9.102 131 2HE2 GLN 18 1HE2 GLN 18 8.297 6.165 -9.918 132 H THR 19 H THR 19 6.615 2.517 -11.357 133 HA THR 19 HA THR 19 3.830 3.064 -11.143 134 HB THR 19 HB THR 19 5.595 1.621 -13.130 135 HG1 THR 19 HG1 THR 19 5.481 4.007 -12.694 136 1HG2 THR 19 1HG2 THR 19 3.318 0.650 -13.265 137 2HG2 THR 19 3HG2 THR 19 2.652 2.272 -13.451 138 3HG2 THR 19 2HG2 THR 19 3.709 1.604 -14.696 139 H LYS 20 H LYS 20 5.636 0.030 -10.861 140 HA LYS 20 HA LYS 20 3.363 -1.747 -10.942 141 1HB LYS 20 2HB LYS 20 6.187 -1.846 -9.856 142 2HB LYS 20 1HB LYS 20 5.090 -3.214 -9.667 143 1HG LYS 20 2HG LYS 20 4.770 -2.591 -12.329 144 2HG LYS 20 1HG LYS 20 6.482 -2.252 -12.074 145 1HD LYS 20 2HD LYS 20 5.493 -4.758 -10.845 146 2HD LYS 20 1HD LYS 20 5.503 -4.736 -12.608 147 1HE LYS 20 2HE LYS 20 7.686 -5.428 -12.244 148 2HE LYS 20 1HE LYS 20 7.947 -3.674 -12.162 149 1HZ LYS 20 2HZ LYS 20 7.221 -5.362 -9.827 150 2HZ LYS 20 1HZ LYS 20 8.810 -4.892 -10.196 151 3HZ LYS 20 3HZ LYS 20 7.650 -3.717 -9.805 152 H VAL 21 H VAL 21 4.928 0.186 -8.478 153 HA VAL 21 HA VAL 21 3.443 -0.954 -6.225 154 HB VAL 21 HB VAL 21 5.428 1.217 -6.792 155 1HG1 VAL 21 1HG1 VAL 21 3.774 1.069 -4.254 156 2HG1 VAL 21 3HG1 VAL 21 5.210 2.070 -4.473 157 3HG1 VAL 21 2HG1 VAL 21 3.761 2.387 -5.426 158 1HG2 VAL 21 1HG2 VAL 21 5.181 -1.070 -4.823 159 2HG2 VAL 21 3HG2 VAL 21 6.290 -0.943 -6.188 160 3HG2 VAL 21 2HG2 VAL 21 6.502 0.098 -4.780 161 H GLU 22 H GLU 22 2.960 1.457 -8.651 162 HA GLU 22 HA GLU 22 1.073 3.130 -7.222 163 1HB GLU 22 2HB GLU 22 2.035 2.661 -10.020 164 2HB GLU 22 1HB GLU 22 0.555 3.591 -9.807 165 1HG GLU 22 2HG GLU 22 1.877 4.965 -8.073 166 2HG GLU 22 1HG GLU 22 3.316 4.210 -8.759 167 H GLU 23 H GLU 23 0.731 0.476 -9.601 168 HA GLU 23 HA GLU 23 -2.168 0.424 -9.471 169 1HB GLU 23 2HB GLU 23 -0.255 -1.779 -10.294 170 2HB GLU 23 1HB GLU 23 -1.897 -1.510 -10.879 171 1HG GLU 23 2HG GLU 23 -0.387 0.890 -11.288 172 2HG GLU 23 1HG GLU 23 0.528 -0.466 -11.947 173 H LEU 24 H LEU 24 0.454 -1.299 -7.811 174 HA LEU 24 HA LEU 24 -1.159 -3.292 -6.519 175 1HB LEU 24 2HB LEU 24 1.453 -2.877 -6.833 176 2HB LEU 24 1HB LEU 24 1.289 -2.109 -5.254 177 HG LEU 24 HG LEU 24 0.184 -4.184 -4.407 178 1HD1 LEU 24 3HD1 LEU 24 0.484 -4.886 -7.264 179 2HD1 LEU 24 2HD1 LEU 24 0.912 -6.168 -6.131 180 3HD1 LEU 24 1HD1 LEU 24 -0.698 -5.451 -6.083 181 1HD2 LEU 24 1HD2 LEU 24 2.785 -3.675 -4.512 182 2HD2 LEU 24 3HD2 LEU 24 2.205 -5.249 -3.968 183 3HD2 LEU 24 2HD2 LEU 24 2.788 -5.047 -5.620 184 H ILE 25 H ILE 25 -0.001 -0.095 -5.421 185 HA ILE 25 HA ILE 25 -1.212 -0.161 -2.835 186 HB ILE 25 HB ILE 25 0.153 1.684 -4.635 187 1HG1 ILE 25 2HG1 ILE 25 1.189 2.399 -2.601 188 2HG1 ILE 25 1HG1 ILE 25 -0.167 1.828 -1.629 189 1HG2 ILE 25 3HG2 ILE 25 -2.065 2.866 -4.526 190 2HG2 ILE 25 2HG2 ILE 25 -1.892 2.934 -2.772 191 3HG2 ILE 25 1HG2 ILE 25 -0.744 3.785 -3.805 192 1HD1 ILE 25 3HD1 ILE 25 0.994 -0.282 -3.295 193 2HD1 ILE 25 2HD1 ILE 25 2.152 0.401 -2.154 194 3HD1 ILE 25 1HD1 ILE 25 0.635 -0.285 -1.568 195 H ASN 26 H ASN 26 -2.463 0.809 -6.020 196 HA ASN 26 HA ASN 26 -4.942 1.937 -5.095 197 1HB ASN 26 2HB ASN 26 -3.660 1.854 -7.434 198 2HB ASN 26 1HB ASN 26 -4.702 0.453 -7.692 199 1HD2 ASN 26 2HD2 ASN 26 -6.940 2.986 -8.921 200 2HD2 ASN 26 1HD2 ASN 26 -5.760 1.869 -9.411 201 H THR 27 H THR 27 -3.964 -1.338 -6.042 202 HA THR 27 HA THR 27 -6.554 -2.569 -5.807 203 HB THR 27 HB THR 27 -3.696 -3.553 -5.606 204 HG1 THR 27 HG1 THR 27 -4.760 -2.642 -7.598 205 1HG2 THR 27 1HG2 THR 27 -6.289 -4.961 -5.271 206 2HG2 THR 27 3HG2 THR 27 -5.107 -5.750 -6.314 207 3HG2 THR 27 2HG2 THR 27 -4.693 -5.373 -4.642 208 H LEU 28 H LEU 28 -3.976 -1.855 -3.493 209 HA LEU 28 HA LEU 28 -5.012 -3.484 -1.335 210 1HB LEU 28 2HB LEU 28 -3.079 -1.202 -1.678 211 2HB LEU 28 1HB LEU 28 -3.525 -1.725 -0.052 212 HG LEU 28 HG LEU 28 -2.782 -3.841 -2.015 213 1HD1 LEU 28 3HD1 LEU 28 -0.939 -1.724 -0.988 214 2HD1 LEU 28 2HD1 LEU 28 -0.346 -3.384 -1.018 215 3HD1 LEU 28 1HD1 LEU 28 -0.887 -2.614 -2.509 216 1HD2 LEU 28 2HD2 LEU 28 -3.173 -3.534 0.807 217 2HD2 LEU 28 1HD2 LEU 28 -2.838 -5.011 -0.095 218 3HD2 LEU 28 3HD2 LEU 28 -1.506 -4.038 0.527 219 H GLN 29 H GLN 29 -5.334 -0.046 -2.225 220 HA GLN 29 HA GLN 29 -7.044 0.673 -0.009 221 1HB GLN 29 2HB GLN 29 -5.583 2.020 -1.774 222 2HB GLN 29 1HB GLN 29 -7.084 2.011 -2.697 223 1HG GLN 29 2HG GLN 29 -8.278 3.007 -0.783 224 2HG GLN 29 1HG GLN 29 -6.782 3.011 0.152 225 1HE2 GLN 29 2HE2 GLN 29 -7.515 6.150 -2.157 226 2HE2 GLN 29 1HE2 GLN 29 -8.691 5.065 -1.589 227 H GLN 30 H GLN 30 -7.476 -1.061 -2.944 228 HA GLN 30 HA GLN 30 -10.326 -0.523 -3.315 229 1HB GLN 30 2HB GLN 30 -8.238 -2.416 -4.386 230 2HB GLN 30 1HB GLN 30 -9.934 -2.652 -4.799 231 1HG GLN 30 2HG GLN 30 -9.324 0.118 -5.093 232 2HG GLN 30 1HG GLN 30 -8.086 -0.804 -5.940 233 1HE2 GLN 30 2HE2 GLN 30 -11.820 -0.608 -7.484 234 2HE2 GLN 30 1HE2 GLN 30 -11.380 0.258 -6.091 235 H LYS 31 H LYS 31 -8.421 -3.337 -2.220 236 HA LYS 31 HA LYS 31 -10.673 -4.882 -1.311 237 1HB LYS 31 2HB LYS 31 -7.722 -4.898 -1.189 238 2HB LYS 31 1HB LYS 31 -8.500 -5.683 0.188 239 1HG LYS 31 2HG LYS 31 -9.796 -7.110 -1.308 240 2HG LYS 31 1HG LYS 31 -9.128 -6.283 -2.715 241 1HD LYS 31 2HD LYS 31 -6.820 -6.965 -1.581 242 2HD LYS 31 1HD LYS 31 -7.819 -8.230 -0.864 243 1HE LYS 31 2HE LYS 31 -7.140 -9.253 -2.866 244 2HE LYS 31 1HE LYS 31 -8.679 -8.521 -3.362 245 1HZ LYS 31 2HZ LYS 31 -6.248 -6.881 -3.437 246 2HZ LYS 31 1HZ LYS 31 -6.490 -8.014 -4.680 247 3HZ LYS 31 3HZ LYS 31 -7.637 -6.796 -4.412 248 H LEU 32 H LEU 32 -8.958 -2.170 -0.026 249 HA LEU 32 HA LEU 32 -9.663 -2.574 2.780 250 1HB LEU 32 2HB LEU 32 -7.772 -1.195 1.532 251 2HB LEU 32 1HB LEU 32 -9.002 0.068 1.512 252 HG LEU 32 HG LEU 32 -9.206 -0.021 3.931 253 1HD1 LEU 32 2HD1 LEU 32 -7.602 -2.508 3.554 254 2HD1 LEU 32 1HD1 LEU 32 -7.283 -1.560 5.006 255 3HD1 LEU 32 3HD1 LEU 32 -8.906 -2.175 4.694 256 1HD2 LEU 32 1HD2 LEU 32 -6.401 0.130 2.823 257 2HD2 LEU 32 3HD2 LEU 32 -7.478 1.458 3.258 258 3HD2 LEU 32 2HD2 LEU 32 -6.739 0.471 4.519 259 H GLU 33 H GLU 33 -10.797 -0.398 0.165 260 HA GLU 33 HA GLU 33 -12.990 0.710 1.684 261 1HB GLU 33 2HB GLU 33 -11.968 1.793 -0.277 262 2HB GLU 33 1HB GLU 33 -12.466 0.444 -1.299 263 1HG GLU 33 2HG GLU 33 -14.733 1.017 -1.178 264 2HG GLU 33 1HG GLU 33 -14.517 1.946 0.305 265 H ALA 34 H ALA 34 -12.477 -2.314 0.188 266 HA ALA 34 HA ALA 34 -15.354 -2.895 -0.226 267 1HB ALA 34 3HB ALA 34 -12.991 -3.661 -1.439 268 2HB ALA 34 2HB ALA 34 -13.340 -5.048 -0.406 269 3HB ALA 34 1HB ALA 34 -14.521 -4.522 -1.605 270 H VAL 35 H VAL 35 -12.641 -3.625 1.869 271 HA VAL 35 HA VAL 35 -13.821 -5.673 3.478 272 HB VAL 35 HB VAL 35 -11.585 -3.695 3.588 273 1HG1 VAL 35 3HG1 VAL 35 -12.639 -3.578 5.854 274 2HG1 VAL 35 2HG1 VAL 35 -12.379 -5.315 6.012 275 3HG1 VAL 35 1HG1 VAL 35 -11.000 -4.226 5.869 276 1HG2 VAL 35 3HG2 VAL 35 -11.406 -5.974 2.567 277 2HG2 VAL 35 2HG2 VAL 35 -10.252 -5.705 3.873 278 3HG2 VAL 35 1HG2 VAL 35 -11.701 -6.667 4.161 279 H ALA 36 H ALA 36 -13.787 -2.114 3.678 280 HA ALA 36 HA ALA 36 -15.188 -1.897 6.182 281 1HB ALA 36 2HB ALA 36 -13.828 -0.185 4.739 282 2HB ALA 36 1HB ALA 36 -15.359 0.075 3.903 283 3HB ALA 36 3HB ALA 36 -15.231 0.402 5.631 284 H LYS 37 H LYS 37 -16.180 -2.388 2.848 285 HA LYS 37 HA LYS 37 -19.000 -1.788 3.269 286 1HB LYS 37 2HB LYS 37 -17.201 -2.844 1.160 287 2HB LYS 37 1HB LYS 37 -18.877 -3.389 1.061 288 1HG LYS 37 2HG LYS 37 -19.705 -1.165 0.910 289 2HG LYS 37 1HG LYS 37 -18.167 -0.475 1.430 290 1HD LYS 37 2HD LYS 37 -17.309 -0.535 -0.664 291 2HD LYS 37 1HD LYS 37 -17.926 -2.161 -0.959 292 1HE LYS 37 2HE LYS 37 -20.268 -0.822 -1.008 293 2HE LYS 37 1HE LYS 37 -19.189 0.474 -1.557 294 1HZ LYS 37 1HZ LYS 37 -18.580 -2.100 -2.697 295 2HZ LYS 37 3HZ LYS 37 -20.122 -1.536 -3.122 296 3HZ LYS 37 2HZ LYS 37 -18.752 -0.591 -3.461 297 H ARG 38 H ARG 38 -16.943 -4.622 3.556 298 HA ARG 38 HA ARG 38 -19.110 -6.549 3.783 299 1HB ARG 38 2HB ARG 38 -16.214 -6.662 4.690 300 2HB ARG 38 1HB ARG 38 -17.266 -8.043 4.382 301 1HG ARG 38 2HG ARG 38 -17.066 -6.127 2.145 302 2HG ARG 38 1HG ARG 38 -15.566 -6.973 2.524 303 1HD ARG 38 2HD ARG 38 -17.953 -8.716 2.507 304 2HD ARG 38 1HD ARG 38 -17.540 -8.016 0.930 305 HE ARG 38 HE ARG 38 -15.103 -8.843 2.046 306 1HH1 ARG 38 1HH2 ARG 38 -17.952 -10.056 0.578 307 2HH1 ARG 38 2HH2 ARG 38 -17.362 -11.677 0.439 308 1HH2 ARG 38 2HH1 ARG 38 -14.399 -11.026 2.119 309 2HH2 ARG 38 1HH1 ARG 38 -15.354 -12.228 1.316 310 H ILE 39 H ILE 39 -17.105 -4.665 6.015 311 HA ILE 39 HA ILE 39 -17.947 -5.800 8.490 312 HB ILE 39 HB ILE 39 -17.067 -3.050 7.572 313 1HG1 ILE 39 2HG1 ILE 39 -15.488 -5.047 7.565 314 2HG1 ILE 39 1HG1 ILE 39 -14.948 -3.665 8.512 315 1HG2 ILE 39 3HG2 ILE 39 -18.521 -2.874 9.605 316 2HG2 ILE 39 2HG2 ILE 39 -17.415 -3.965 10.440 317 3HG2 ILE 39 1HG2 ILE 39 -16.853 -2.384 9.897 318 1HD1 ILE 39 2HD1 ILE 39 -16.424 -5.123 10.347 319 2HD1 ILE 39 1HD1 ILE 39 -15.635 -6.374 9.391 320 3HD1 ILE 39 3HD1 ILE 39 -14.669 -5.143 10.201 321 H GLU 40 H GLU 40 -19.277 -3.146 6.527 322 HA GLU 40 HA GLU 40 -21.497 -2.515 8.226 323 1HB GLU 40 2HB GLU 40 -21.178 -2.350 5.206 324 2HB GLU 40 1HB GLU 40 -22.343 -1.438 6.165 325 1HG GLU 40 2HG GLU 40 -19.867 -0.963 7.396 326 2HG GLU 40 1HG GLU 40 -19.542 -0.867 5.666 327 H ALA 41 H ALA 41 -20.974 -4.898 5.663 328 HA ALA 41 HA ALA 41 -23.620 -5.831 5.275 329 1HB ALA 41 2HB ALA 41 -21.114 -6.461 4.391 330 2HB ALA 41 1HB ALA 41 -21.433 -7.835 5.449 331 3HB ALA 41 3HB ALA 41 -22.522 -7.485 4.107 332 H LEU 42 H LEU 42 -21.266 -6.455 7.819 333 HA LEU 42 HA LEU 42 -22.924 -8.460 9.185 334 1HB LEU 42 2HB LEU 42 -20.373 -6.936 9.767 335 2HB LEU 42 1HB LEU 42 -21.074 -8.035 10.943 336 HG LEU 42 HG LEU 42 -19.810 -9.623 9.932 337 1HD1 LEU 42 3HD1 LEU 42 -21.820 -9.241 7.690 338 2HD1 LEU 42 2HD1 LEU 42 -20.762 -10.640 7.870 339 3HD1 LEU 42 1HD1 LEU 42 -22.000 -10.310 9.082 340 1HD2 LEU 42 3HD2 LEU 42 -18.988 -7.448 8.508 341 2HD2 LEU 42 2HD2 LEU 42 -18.349 -9.077 8.287 342 3HD2 LEU 42 1HD2 LEU 42 -19.621 -8.477 7.223 343 H GLU 43 H GLU 43 -22.304 -5.002 9.346 344 HA GLU 43 HA GLU 43 -23.565 -4.553 11.917 345 1HB GLU 43 2HB GLU 43 -23.053 -2.754 9.526 346 2HB GLU 43 1HB GLU 43 -23.406 -2.199 11.163 347 1HG GLU 43 2HG GLU 43 -21.342 -3.998 11.548 348 2HG GLU 43 1HG GLU 43 -20.896 -3.200 10.039 349 H ASN 44 H ASN 44 -24.714 -5.208 8.757 350 HA ASN 44 HA ASN 44 -27.267 -3.810 8.943 351 1HB ASN 44 2HB ASN 44 -25.983 -5.906 7.201 352 2HB ASN 44 1HB ASN 44 -27.708 -5.575 7.035 353 1HD2 ASN 44 2HD2 ASN 44 -25.531 -2.159 6.522 354 2HD2 ASN 44 1HD2 ASN 44 -25.419 -3.037 7.969 355 H LYS 45 H LYS 45 -25.968 -6.871 9.992 356 HA LYS 45 HA LYS 45 -28.700 -7.775 10.829 357 1HB LYS 45 2HB LYS 45 -26.112 -9.191 10.143 358 2HB LYS 45 1HB LYS 45 -27.444 -10.021 10.948 359 1HG LYS 45 2HG LYS 45 -27.624 -10.366 8.537 360 2HG LYS 45 1HG LYS 45 -28.950 -9.336 9.078 361 1HD LYS 45 2HD LYS 45 -28.124 -7.478 8.019 362 2HD LYS 45 1HD LYS 45 -26.444 -7.956 8.267 363 1HE LYS 45 2HE LYS 45 -26.615 -8.341 5.981 364 2HE LYS 45 1HE LYS 45 -27.175 -9.919 6.573 365 1HZ LYS 45 1HZ LYS 45 -29.408 -8.469 6.762 366 2HZ LYS 45 3HZ LYS 45 -28.698 -7.738 5.407 367 3HZ LYS 45 2HZ LYS 45 -29.015 -9.407 5.400 368 H ILE 46 H ILE 46 -25.710 -6.543 11.940 369 HA ILE 46 HA ILE 46 -26.026 -7.735 14.653 370 HB ILE 46 HB ILE 46 -23.891 -6.091 13.257 371 1HG1 ILE 46 2HG1 ILE 46 -23.212 -8.180 12.641 372 2HG1 ILE 46 1HG1 ILE 46 -22.696 -8.348 14.314 373 1HG2 ILE 46 1HG2 ILE 46 -24.143 -6.921 16.147 374 2HG2 ILE 46 3HG2 ILE 46 -22.589 -6.519 15.415 375 3HG2 ILE 46 2HG2 ILE 46 -23.868 -5.306 15.496 376 1HD1 ILE 46 2HD1 ILE 46 -25.472 -9.099 13.354 377 2HD1 ILE 46 1HD1 ILE 46 -24.137 -10.244 13.464 378 3HD1 ILE 46 3HD1 ILE 46 -24.746 -9.461 14.920 379 H ILE 47 HN ILE 47 -26.699 -4.872 12.844 380 HA ILE 47 HA ILE 47 -26.739 -3.056 15.158 381 HB ILE 47 HB ILE 47 -26.213 -2.439 12.767 382 1HG1 ILE 47 2HG1 ILE 47 -28.366 -0.633 13.000 383 2HG1 ILE 47 1HG1 ILE 47 -27.949 -1.088 14.653 384 1HG2 ILE 47 1HG2 ILE 47 -28.146 -3.936 11.916 385 2HG2 ILE 47 3HG2 ILE 47 -29.196 -2.578 12.319 386 3HG2 ILE 47 2HG2 ILE 47 -27.917 -2.379 11.122 387 1HD1 ILE 47 1HD1 ILE 47 -25.740 -0.420 12.739 388 2HD1 ILE 47 3HD1 ILE 47 -26.674 0.895 13.453 389 3HD1 ILE 47 2HD1 ILE 47 -25.795 -0.227 14.491 390 1H GLY 1 2H GLY 1 2.980 20.817 -15.517 391 2H GLY 1 1H GLY 1 1.609 20.924 -14.518 392 3H GLY 1 3H GLY 1 1.483 21.283 -16.172 393 1HA GLY 1 2HA GLY 1 2.334 23.344 -15.961 394 2HA GLY 1 1HA GLY 1 1.729 23.153 -14.315 395 H SER 2 H SER 2 4.618 22.943 -16.337 396 HA SER 2 HA SER 2 6.260 23.322 -13.864 397 1HB SER 2 2HB SER 2 6.105 20.918 -14.752 398 2HB SER 2 1HB SER 2 7.005 21.489 -16.155 399 HG SER 2 HG SER 2 8.170 20.603 -14.191 400 H HIS 3 H HIS 3 8.415 24.265 -14.372 401 HA HIS 3 HA HIS 3 8.313 25.952 -16.845 402 1HB HIS 3 2HB HIS 3 8.546 26.601 -14.176 403 2HB HIS 3 1HB HIS 3 10.229 26.602 -14.703 404 HD1 HIS 3 HD1 HIS 3 10.438 29.179 -14.668 405 HD2 HIS 3 HD2 HIS 3 7.421 27.790 -17.188 406 HE1 HIS 3 HE1 HIS 3 9.711 31.157 -16.071 407 H MET 4 H MET 4 11.017 26.720 -16.832 408 HA MET 4 HA MET 4 12.270 24.435 -18.132 409 1HB MET 4 2HB MET 4 12.724 27.319 -17.665 410 2HB MET 4 1HB MET 4 14.199 26.365 -17.836 411 1HG MET 4 2HG MET 4 13.615 27.039 -20.051 412 2HG MET 4 1HG MET 4 13.127 25.348 -19.926 413 1HE MET 4 3HE MET 4 12.527 28.826 -19.865 414 2HE MET 4 2HE MET 4 11.126 29.010 -20.917 415 3HE MET 4 1HE MET 4 10.918 29.054 -19.169 416 H GLU 5 H GLU 5 12.387 22.897 -16.309 417 HA GLU 5 HA GLU 5 14.541 23.593 -14.333 418 1HB GLU 5 2HB GLU 5 11.819 22.713 -14.043 419 2HB GLU 5 1HB GLU 5 12.890 21.464 -13.407 420 1HG GLU 5 2HG GLU 5 12.561 22.897 -11.561 421 2HG GLU 5 1HG GLU 5 14.112 23.420 -12.217 422 H GLU 6 H GLU 6 16.310 22.266 -14.422 423 HA GLU 6 HA GLU 6 16.832 20.339 -16.369 424 1HB GLU 6 2HB GLU 6 17.859 21.152 -13.734 425 2HB GLU 6 1HB GLU 6 18.255 19.486 -14.157 426 1HG GLU 6 2HG GLU 6 18.663 21.054 -16.493 427 2HG GLU 6 1HG GLU 6 19.434 21.906 -15.155 428 H ASP 7 H ASP 7 16.833 17.969 -16.269 429 HA ASP 7 HA ASP 7 15.691 16.446 -14.160 430 1HB ASP 7 2HB ASP 7 13.688 17.738 -14.710 431 2HB ASP 7 1HB ASP 7 13.839 17.285 -16.408 432 HA PRO 8 HA PRO 8 17.625 14.237 -17.774 433 1HB PRO 8 2HB PRO 8 19.648 13.081 -16.338 434 2HB PRO 8 1HB PRO 8 19.789 14.687 -17.083 435 1HG PRO 8 2HG PRO 8 19.228 13.954 -14.253 436 2HG PRO 8 1HG PRO 8 20.228 15.264 -14.902 437 1HD PRO 8 2HD PRO 8 17.712 15.640 -13.927 438 2HD PRO 8 1HD PRO 8 18.439 16.664 -15.186 439 H CYS 9 H CYS 9 17.590 12.970 -14.405 440 HA CYS 9 HA CYS 9 16.092 10.587 -15.435 441 1HB CYS 9 2HB CYS 9 18.603 10.888 -13.843 442 2HB CYS 9 1HB CYS 9 17.544 9.534 -13.450 443 H GLU 10 H GLU 10 14.792 12.829 -14.260 444 HA GLU 10 HA GLU 10 13.444 13.461 -12.409 445 1HB GLU 10 2HB GLU 10 13.276 10.453 -12.685 446 2HB GLU 10 1HB GLU 10 12.225 11.351 -11.590 447 1HG GLU 10 2HG GLU 10 11.240 12.578 -13.376 448 2HG GLU 10 1HG GLU 10 12.488 12.068 -14.512 449 H CYS 11 H CYS 11 16.232 13.250 -11.658 450 HA CYS 11 HA CYS 11 16.926 11.643 -9.513 451 1HB CYS 11 2HB CYS 11 17.468 14.454 -10.356 452 2HB CYS 11 1HB CYS 11 18.025 13.966 -8.750 453 H LYS 12 H LYS 12 14.573 14.245 -9.549 454 HA LYS 12 HA LYS 12 14.098 13.786 -6.620 455 1HB LYS 12 2HB LYS 12 13.990 16.244 -8.375 456 2HB LYS 12 1HB LYS 12 13.174 16.196 -6.812 457 1HG LYS 12 2HG LYS 12 15.170 16.891 -5.981 458 2HG LYS 12 1HG LYS 12 15.649 15.203 -6.166 459 1HD LYS 12 2HD LYS 12 16.917 15.624 -8.039 460 2HD LYS 12 1HD LYS 12 15.879 16.950 -8.572 461 1HE LYS 12 2HE LYS 12 17.086 18.509 -7.415 462 2HE LYS 12 1HE LYS 12 17.286 17.443 -6.011 463 1HZ LYS 12 3HZ LYS 12 18.593 16.484 -8.392 464 2HZ LYS 12 2HZ LYS 12 19.214 17.967 -7.843 465 3HZ LYS 12 1HZ LYS 12 19.191 16.618 -6.810 466 H SER 13 H SER 13 12.827 13.513 -9.766 467 HA SER 13 HA SER 13 10.007 13.935 -9.085 468 1HB SER 13 2HB SER 13 11.685 13.154 -11.423 469 2HB SER 13 1HB SER 13 9.994 12.674 -11.468 470 HG SER 13 HG SER 13 10.614 14.847 -12.307 471 H ILE 14 H ILE 14 12.238 11.231 -9.222 472 HA ILE 14 HA ILE 14 10.160 9.163 -9.051 473 HB ILE 14 HB ILE 14 13.179 9.246 -8.816 474 1HG1 ILE 14 2HG1 ILE 14 11.614 7.893 -10.982 475 2HG1 ILE 14 1HG1 ILE 14 11.770 9.645 -11.022 476 1HG2 ILE 14 1HG2 ILE 14 11.303 6.860 -8.848 477 2HG2 ILE 14 3HG2 ILE 14 13.055 6.760 -9.022 478 3HG2 ILE 14 2HG2 ILE 14 12.351 7.347 -7.516 479 1HD1 ILE 14 2HD1 ILE 14 14.241 9.405 -10.856 480 2HD1 ILE 14 1HD1 ILE 14 14.052 7.653 -10.916 481 3HD1 ILE 14 3HD1 ILE 14 13.592 8.638 -12.305 482 H VAL 15 H VAL 15 12.436 10.801 -6.908 483 HA VAL 15 HA VAL 15 11.676 9.167 -4.580 484 HB VAL 15 HB VAL 15 13.160 11.752 -4.317 485 1HG1 VAL 15 2HG1 VAL 15 13.523 8.906 -3.341 486 2HG1 VAL 15 1HG1 VAL 15 14.662 10.205 -2.991 487 3HG1 VAL 15 3HG1 VAL 15 13.005 10.303 -2.395 488 1HG2 VAL 15 1HG2 VAL 15 13.994 9.491 -6.106 489 2HG2 VAL 15 3HG2 VAL 15 14.283 11.221 -6.285 490 3HG2 VAL 15 2HG2 VAL 15 15.228 10.285 -5.131 491 H LYS 16 H LYS 16 10.684 12.032 -6.202 492 HA LYS 16 HA LYS 16 9.337 13.337 -3.971 493 1HB LYS 16 2HB LYS 16 9.903 14.700 -5.826 494 2HB LYS 16 1HB LYS 16 9.343 13.499 -6.990 495 1HG LYS 16 2HG LYS 16 7.233 14.388 -5.165 496 2HG LYS 16 1HG LYS 16 7.900 15.699 -6.137 497 1HD LYS 16 2HD LYS 16 7.674 13.794 -8.043 498 2HD LYS 16 1HD LYS 16 6.345 13.317 -6.986 499 1HE LYS 16 2HE LYS 16 5.427 15.614 -7.089 500 2HE LYS 16 1HE LYS 16 6.757 16.091 -8.161 501 1HZ LYS 16 1HZ LYS 16 5.867 13.806 -9.293 502 2HZ LYS 16 3HZ LYS 16 4.422 14.498 -8.739 503 3HZ LYS 16 2HZ LYS 16 5.427 15.367 -9.796 504 H PHE 17 H PHE 17 8.434 11.177 -6.650 505 HA PHE 17 HA PHE 17 5.641 10.953 -5.919 506 1HB PHE 17 2HB PHE 17 6.081 10.274 -8.103 507 2HB PHE 17 1HB PHE 17 7.643 9.580 -7.676 508 HD1 PHE 17 HD1 PHE 17 7.711 7.399 -6.395 509 HD2 PHE 17 HD2 PHE 17 4.118 8.925 -8.183 510 HE1 PHE 17 HE1 PHE 17 6.688 5.147 -6.251 511 HE2 PHE 17 HE2 PHE 17 3.092 6.672 -8.043 512 HZ PHE 17 HZ PHE 17 4.376 4.782 -7.077 513 H GLN 18 H GLN 18 8.632 9.358 -4.965 514 HA GLN 18 HA GLN 18 7.616 7.055 -3.656 515 1HB GLN 18 2HB GLN 18 10.008 8.836 -3.466 516 2HB GLN 18 1HB GLN 18 9.758 7.670 -2.165 517 1HG GLN 18 2HG GLN 18 9.388 5.956 -4.095 518 2HG GLN 18 1HG GLN 18 10.208 7.153 -5.096 519 1HE2 GLN 18 2HE2 GLN 18 12.986 6.772 -2.407 520 2HE2 GLN 18 1HE2 GLN 18 11.765 7.947 -2.491 521 H THR 19 H THR 19 8.189 10.331 -2.357 522 HA THR 19 HA THR 19 7.313 9.841 0.314 523 HB THR 19 HB THR 19 7.378 12.245 -1.522 524 HG1 THR 19 HG1 THR 19 9.234 11.068 -0.382 525 1HG2 THR 19 1HG2 THR 19 5.531 12.545 0.100 526 2HG2 THR 19 3HG2 THR 19 6.653 12.211 1.419 527 3HG2 THR 19 2HG2 THR 19 6.868 13.650 0.421 528 H LYS 20 H LYS 20 5.505 10.555 -2.655 529 HA LYS 20 HA LYS 20 2.947 11.033 -1.412 530 1HB LYS 20 2HB LYS 20 3.902 10.107 -4.135 531 2HB LYS 20 1HB LYS 20 2.187 10.330 -3.783 532 1HG LYS 20 2HG LYS 20 3.309 12.661 -2.808 533 2HG LYS 20 1HG LYS 20 4.277 12.340 -4.248 534 1HD LYS 20 2HD LYS 20 1.365 11.944 -4.592 535 2HD LYS 20 1HD LYS 20 1.864 13.610 -4.299 536 1HE LYS 20 2HE LYS 20 2.132 13.532 -6.609 537 2HE LYS 20 1HE LYS 20 3.735 12.949 -6.119 538 1HZ LYS 20 2HZ LYS 20 1.461 11.084 -6.367 539 2HZ LYS 20 1HZ LYS 20 2.371 11.513 -7.736 540 3HZ LYS 20 3HZ LYS 20 3.125 10.748 -6.423 541 H VAL 21 H VAL 21 4.757 8.190 -2.356 542 HA VAL 21 HA VAL 21 2.568 6.289 -1.930 543 HB VAL 21 HB VAL 21 5.477 6.309 -2.642 544 1HG1 VAL 21 1HG1 VAL 21 3.999 3.825 -1.719 545 2HG1 VAL 21 3HG1 VAL 21 5.593 3.849 -2.474 546 3HG1 VAL 21 2HG1 VAL 21 5.357 4.583 -0.887 547 1HG2 VAL 21 3HG2 VAL 21 3.718 6.407 -4.372 548 2HG2 VAL 21 2HG2 VAL 21 4.647 4.914 -4.501 549 3HG2 VAL 21 1HG2 VAL 21 3.042 4.894 -3.771 550 H GLU 22 H GLU 22 4.919 7.930 -0.021 551 HA GLU 22 HA GLU 22 5.162 5.982 2.124 552 1HB GLU 22 2HB GLU 22 5.886 8.828 1.537 553 2HB GLU 22 1HB GLU 22 5.919 8.312 3.220 554 1HG GLU 22 2HG GLU 22 7.310 6.308 2.409 555 2HG GLU 22 1HG GLU 22 7.499 7.201 0.900 556 H GLU 23 H GLU 23 3.305 9.007 1.678 557 HA GLU 23 HA GLU 23 1.883 8.782 4.204 558 1HB GLU 23 2HB GLU 23 1.111 10.307 1.697 559 2HB GLU 23 1HB GLU 23 0.697 10.711 3.364 560 1HG GLU 23 2HG GLU 23 3.536 10.465 3.205 561 2HG GLU 23 1HG GLU 23 3.009 11.503 1.880 562 H LEU 24 H LEU 24 1.260 7.804 0.857 563 HA LEU 24 HA LEU 24 -1.508 7.085 1.184 564 1HB LEU 24 2HB LEU 24 0.126 7.402 -0.890 565 2HB LEU 24 1HB LEU 24 0.350 5.665 -0.690 566 HG LEU 24 HG LEU 24 -2.131 5.378 -0.766 567 1HD1 LEU 24 3HD1 LEU 24 -1.945 8.352 -0.980 568 2HD1 LEU 24 2HD1 LEU 24 -3.201 7.545 -1.918 569 3HD1 LEU 24 1HD1 LEU 24 -3.153 7.359 -0.164 570 1HD2 LEU 24 1HD2 LEU 24 -0.497 5.387 -2.808 571 2HD2 LEU 24 3HD2 LEU 24 -2.233 5.439 -3.116 572 3HD2 LEU 24 2HD2 LEU 24 -1.275 6.916 -3.211 573 H ILE 25 H ILE 25 1.503 5.144 1.326 574 HA ILE 25 HA ILE 25 0.270 2.639 1.910 575 HB ILE 25 HB ILE 25 2.906 3.875 1.840 576 1HG1 ILE 25 2HG1 ILE 25 3.526 1.766 0.908 577 2HG1 ILE 25 1HG1 ILE 25 2.179 0.943 1.696 578 1HG2 ILE 25 3HG2 ILE 25 2.801 3.339 4.307 579 2HG2 ILE 25 2HG2 ILE 25 2.583 1.644 3.866 580 3HG2 ILE 25 1HG2 ILE 25 4.072 2.485 3.432 581 1HD1 ILE 25 3HD1 ILE 25 1.314 3.173 0.002 582 2HD1 ILE 25 2HD1 ILE 25 2.165 1.918 -0.898 583 3HD1 ILE 25 1HD1 ILE 25 0.734 1.509 0.049 584 H ASN 26 H ASN 26 1.247 5.342 4.002 585 HA ASN 26 HA ASN 26 0.812 4.023 6.518 586 1HB ASN 26 2HB ASN 26 1.906 6.327 5.762 587 2HB ASN 26 1HB ASN 26 0.286 6.945 6.089 588 1HD2 ASN 26 2HD2 ASN 26 1.721 7.289 9.380 589 2HD2 ASN 26 1HD2 ASN 26 1.514 8.123 7.917 590 H THR 27 H THR 27 -1.288 5.960 4.411 591 HA THR 27 HA THR 27 -3.610 5.978 6.099 592 HB THR 27 HB THR 27 -3.104 6.201 3.121 593 HG1 THR 27 HG1 THR 27 -2.563 7.803 4.966 594 1HG2 THR 27 1HG2 THR 27 -5.660 6.155 4.656 595 2HG2 THR 27 3HG2 THR 27 -5.504 7.356 3.374 596 3HG2 THR 27 2HG2 THR 27 -5.333 5.641 3.001 597 H LEU 28 H LEU 28 -2.339 3.644 3.764 598 HA LEU 28 HA LEU 28 -4.724 2.008 3.598 599 1HB LEU 28 2HB LEU 28 -1.789 1.738 2.975 600 2HB LEU 28 1HB LEU 28 -2.835 0.320 2.873 601 HG LEU 28 HG LEU 28 -3.821 2.814 1.581 602 1HD1 LEU 28 3HD1 LEU 28 -1.360 1.324 0.766 603 2HD1 LEU 28 2HD1 LEU 28 -2.466 1.853 -0.503 604 3HD1 LEU 28 1HD1 LEU 28 -1.744 3.036 0.589 605 1HD2 LEU 28 2HD2 LEU 28 -4.505 0.092 1.659 606 2HD2 LEU 28 1HD2 LEU 28 -5.197 1.319 0.597 607 3HD2 LEU 28 3HD2 LEU 28 -3.833 0.344 0.047 608 H GLN 29 H GLN 29 -1.726 1.825 5.527 609 HA GLN 29 HA GLN 29 -2.457 -0.540 7.002 610 1HB GLN 29 2HB GLN 29 -0.210 0.819 6.598 611 2HB GLN 29 1HB GLN 29 -0.702 1.649 8.072 612 1HG GLN 29 2HG GLN 29 -0.909 -0.562 9.211 613 2HG GLN 29 1HG GLN 29 -0.310 -1.340 7.745 614 1HE2 GLN 29 2HE2 GLN 29 2.375 -0.003 10.337 615 2HE2 GLN 29 1HE2 GLN 29 0.758 -0.361 10.712 616 H GLN 30 H GLN 30 -3.459 2.744 7.098 617 HA GLN 30 HA GLN 30 -4.265 2.846 9.908 618 1HB GLN 30 2HB GLN 30 -4.648 4.486 7.405 619 2HB GLN 30 1HB GLN 30 -5.554 4.881 8.861 620 1HG GLN 30 2HG GLN 30 -2.844 4.424 9.610 621 2HG GLN 30 1HG GLN 30 -2.846 5.533 8.240 622 1HE2 GLN 30 2HE2 GLN 30 -4.204 6.801 11.854 623 2HE2 GLN 30 1HE2 GLN 30 -3.657 5.210 11.632 624 H LYS 31 H LYS 31 -6.001 2.650 6.793 625 HA LYS 31 HA LYS 31 -8.590 2.118 7.940 626 1HB LYS 31 2HB LYS 31 -7.245 2.100 5.304 627 2HB LYS 31 1HB LYS 31 -8.624 1.007 5.428 628 1HG LYS 31 2HG LYS 31 -10.058 2.829 6.179 629 2HG LYS 31 1HG LYS 31 -8.687 3.939 6.195 630 1HD LYS 31 2HD LYS 31 -8.447 3.179 3.674 631 2HD LYS 31 1HD LYS 31 -10.154 2.774 3.854 632 1HE LYS 31 2HE LYS 31 -10.251 5.018 3.141 633 2HE LYS 31 1HE LYS 31 -10.314 5.196 4.906 634 1HZ LYS 31 2HZ LYS 31 -7.678 4.958 3.669 635 2HZ LYS 31 1HZ LYS 31 -8.496 6.432 3.454 636 3HZ LYS 31 3HZ LYS 31 -8.162 5.869 5.018 637 H LEU 32 H LEU 32 -5.769 0.188 7.448 638 HA LEU 32 HA LEU 32 -7.106 -2.408 7.401 639 1HB LEU 32 2HB LEU 32 -4.738 -1.524 6.569 640 2HB LEU 32 1HB LEU 32 -4.252 -1.959 8.206 641 HG LEU 32 HG LEU 32 -5.026 -4.239 7.885 642 1HD1 LEU 32 2HD1 LEU 32 -6.239 -3.034 5.435 643 2HD1 LEU 32 1HD1 LEU 32 -5.681 -4.704 5.334 644 3HD1 LEU 32 3HD1 LEU 32 -6.895 -4.252 6.529 645 1HD2 LEU 32 1HD2 LEU 32 -3.264 -3.078 5.727 646 2HD2 LEU 32 3HD2 LEU 32 -2.794 -4.014 7.146 647 3HD2 LEU 32 2HD2 LEU 32 -3.594 -4.810 5.792 648 H GLU 33 H GLU 33 -5.239 -0.529 9.807 649 HA GLU 33 HA GLU 33 -5.657 -2.413 11.971 650 1HB GLU 33 2HB GLU 33 -3.798 -0.777 11.823 651 2HB GLU 33 1HB GLU 33 -4.959 0.546 11.917 652 1HG GLU 33 2HG GLU 33 -5.469 0.117 14.158 653 2HG GLU 33 1HG GLU 33 -4.912 -1.555 14.067 654 H ALA 34 H ALA 34 -7.632 -0.078 10.443 655 HA ALA 34 HA ALA 34 -9.379 0.366 12.794 656 1HB ALA 34 3HB ALA 34 -8.631 1.885 10.637 657 2HB ALA 34 2HB ALA 34 -10.171 1.237 10.070 658 3HB ALA 34 1HB ALA 34 -10.103 2.170 11.567 659 H VAL 35 H VAL 35 -9.221 -1.307 9.717 660 HA VAL 35 HA VAL 35 -11.905 -2.299 9.587 661 HB VAL 35 HB VAL 35 -9.202 -2.892 8.453 662 1HG1 VAL 35 3HG1 VAL 35 -10.151 -5.128 9.009 663 2HG1 VAL 35 2HG1 VAL 35 -11.563 -4.731 8.029 664 3HG1 VAL 35 1HG1 VAL 35 -9.975 -4.864 7.276 665 1HG2 VAL 35 3HG2 VAL 35 -10.743 -1.206 7.466 666 2HG2 VAL 35 2HG2 VAL 35 -10.381 -2.517 6.342 667 3HG2 VAL 35 1HG2 VAL 35 -11.927 -2.484 7.191 668 H ALA 36 H ALA 36 -8.899 -3.541 11.058 669 HA ALA 36 HA ALA 36 -9.974 -6.057 11.951 670 1HB ALA 36 2HB ALA 36 -7.541 -5.203 11.738 671 2HB ALA 36 1HB ALA 36 -7.812 -4.426 13.299 672 3HB ALA 36 3HB ALA 36 -7.920 -6.181 13.156 673 H LYS 37 H LYS 37 -10.071 -2.775 13.183 674 HA LYS 37 HA LYS 37 -10.974 -3.459 15.866 675 1HB LYS 37 2HB LYS 37 -10.506 -1.086 14.157 676 2HB LYS 37 1HB LYS 37 -11.748 -0.873 15.393 677 1HG LYS 37 2HG LYS 37 -10.235 -1.404 17.153 678 2HG LYS 37 1HG LYS 37 -9.040 -2.055 16.032 679 1HD LYS 37 2HD LYS 37 -8.163 -0.011 15.617 680 2HD LYS 37 1HD LYS 37 -9.758 0.722 15.435 681 1HE LYS 37 2HE LYS 37 -9.716 0.242 18.136 682 2HE LYS 37 1HE LYS 37 -8.008 0.605 17.820 683 1HZ LYS 37 1HZ LYS 37 -9.742 2.318 16.335 684 2HZ LYS 37 3HZ LYS 37 -10.050 2.436 17.998 685 3HZ LYS 37 2HZ LYS 37 -8.486 2.723 17.402 686 H ARG 38 H ARG 38 -12.508 -2.760 12.770 687 HA ARG 38 HA ARG 38 -15.218 -2.529 13.775 688 1HB ARG 38 2HB ARG 38 -14.157 -3.294 11.031 689 2HB ARG 38 1HB ARG 38 -15.749 -2.622 11.386 690 1HG ARG 38 2HG ARG 38 -13.442 -1.049 12.384 691 2HG ARG 38 1HG ARG 38 -13.632 -1.101 10.631 692 1HD ARG 38 2HD ARG 38 -16.186 -0.672 12.006 693 2HD ARG 38 1HD ARG 38 -15.007 0.616 12.326 694 HE ARG 38 HE ARG 38 -14.786 0.090 9.589 695 1HH1 ARG 38 1HH2 ARG 38 -16.952 1.440 11.884 696 2HH1 ARG 38 2HH2 ARG 38 -17.988 2.154 10.694 697 1HH2 ARG 38 2HH1 ARG 38 -16.246 0.838 8.001 698 2HH2 ARG 38 1HH1 ARG 38 -17.588 1.815 8.497 699 H ILE 39 H ILE 39 -13.205 -5.124 12.468 700 HA ILE 39 HA ILE 39 -15.134 -7.211 12.299 701 HB ILE 39 HB ILE 39 -12.166 -7.030 12.850 702 1HG1 ILE 39 2HG1 ILE 39 -13.186 -6.479 10.574 703 2HG1 ILE 39 1HG1 ILE 39 -11.928 -7.712 10.568 704 1HG2 ILE 39 3HG2 ILE 39 -13.090 -9.070 13.948 705 2HG2 ILE 39 2HG2 ILE 39 -13.738 -9.579 12.388 706 3HG2 ILE 39 1HG2 ILE 39 -11.994 -9.443 12.617 707 1HD1 ILE 39 2HD1 ILE 39 -14.225 -9.196 10.984 708 2HD1 ILE 39 1HD1 ILE 39 -14.767 -7.940 9.879 709 3HD1 ILE 39 3HD1 ILE 39 -13.417 -8.980 9.434 710 H GLU 40 H GLU 40 -13.040 -6.143 14.970 711 HA GLU 40 HA GLU 40 -13.936 -8.075 16.901 712 1HB GLU 40 2HB GLU 40 -12.904 -5.235 17.264 713 2HB GLU 40 1HB GLU 40 -12.883 -6.506 18.488 714 1HG GLU 40 2HG GLU 40 -11.652 -7.630 16.218 715 2HG GLU 40 1HG GLU 40 -10.987 -6.001 16.359 716 H ALA 41 H ALA 41 -15.092 -4.893 15.869 717 HA ALA 41 HA ALA 41 -17.017 -4.371 17.882 718 1HB ALA 41 2HB ALA 41 -16.183 -3.171 15.616 719 2HB ALA 41 1HB ALA 41 -17.679 -3.879 15.008 720 3HB ALA 41 3HB ALA 41 -17.723 -2.759 16.370 721 H LEU 42 H LEU 42 -17.073 -6.491 15.066 722 HA LEU 42 HA LEU 42 -19.870 -7.291 15.420 723 1HB LEU 42 2HB LEU 42 -17.522 -8.218 13.737 724 2HB LEU 42 1HB LEU 42 -19.098 -8.988 13.651 725 HG LEU 42 HG LEU 42 -19.538 -7.467 12.025 726 1HD1 LEU 42 3HD1 LEU 42 -19.584 -5.550 14.375 727 2HD1 LEU 42 2HD1 LEU 42 -20.317 -5.244 12.801 728 3HD1 LEU 42 1HD1 LEU 42 -20.931 -6.545 13.823 729 1HD2 LEU 42 3HD2 LEU 42 -16.941 -6.676 12.727 730 2HD2 LEU 42 2HD2 LEU 42 -17.836 -6.209 11.281 731 3HD2 LEU 42 1HD2 LEU 42 -17.893 -5.191 12.721 732 H GLU 43 H GLU 43 -16.681 -8.441 16.366 733 HA GLU 43 HA GLU 43 -17.519 -11.080 17.229 734 1HB GLU 43 2HB GLU 43 -15.172 -9.312 18.005 735 2HB GLU 43 1HB GLU 43 -15.271 -11.052 18.265 736 1HG GLU 43 2HG GLU 43 -15.899 -10.793 15.588 737 2HG GLU 43 1HG GLU 43 -14.644 -9.575 15.820 738 H ASN 44 H ASN 44 -17.864 -7.920 18.503 739 HA ASN 44 HA ASN 44 -17.952 -8.614 21.335 740 1HB ASN 44 2HB ASN 44 -18.698 -6.276 19.581 741 2HB ASN 44 1HB ASN 44 -19.175 -6.288 21.280 742 1HD2 ASN 44 2HD2 ASN 44 -15.139 -6.758 20.973 743 2HD2 ASN 44 1HD2 ASN 44 -16.198 -7.889 20.281 744 H LYS 45 H LYS 45 -20.149 -8.682 18.637 745 HA LYS 45 HA LYS 45 -22.428 -9.304 20.480 746 1HB LYS 45 2HB LYS 45 -22.206 -8.121 17.703 747 2HB LYS 45 1HB LYS 45 -23.742 -8.698 18.348 748 1HG LYS 45 2HG LYS 45 -23.538 -6.305 18.791 749 2HG LYS 45 1HG LYS 45 -23.440 -7.189 20.315 750 1HD LYS 45 2HD LYS 45 -21.222 -6.688 20.624 751 2HD LYS 45 1HD LYS 45 -20.871 -6.704 18.895 752 1HE LYS 45 2HE LYS 45 -20.765 -4.419 19.217 753 2HE LYS 45 1HE LYS 45 -22.525 -4.545 19.018 754 1HZ LYS 45 1HZ LYS 45 -22.208 -5.244 21.587 755 2HZ LYS 45 3HZ LYS 45 -20.970 -4.098 21.422 756 3HZ LYS 45 2HZ LYS 45 -22.576 -3.667 21.073 757 H ILE 46 H ILE 46 -20.224 -10.635 18.232 758 HA ILE 46 HA ILE 46 -22.056 -12.873 17.505 759 HB ILE 46 HB ILE 46 -19.297 -11.981 16.607 760 1HG1 ILE 46 2HG1 ILE 46 -20.585 -10.688 15.235 761 2HG1 ILE 46 1HG1 ILE 46 -20.865 -12.188 14.363 762 1HG2 ILE 46 1HG2 ILE 46 -20.859 -14.482 16.016 763 2HG2 ILE 46 3HG2 ILE 46 -19.713 -13.836 14.843 764 3HG2 ILE 46 2HG2 ILE 46 -19.157 -14.315 16.447 765 1HD1 ILE 46 2HD1 ILE 46 -22.641 -11.283 16.644 766 2HD1 ILE 46 1HD1 ILE 46 -22.949 -10.847 14.966 767 3HD1 ILE 46 3HD1 ILE 46 -22.964 -12.541 15.452 768 H ILE 47 HN ILE 47 -19.510 -12.015 19.676 769 HA ILE 47 HA ILE 47 -18.596 -14.783 20.137 770 HB ILE 47 HB ILE 47 -17.218 -12.643 20.272 771 1HG1 ILE 47 2HG1 ILE 47 -16.722 -13.626 22.917 772 2HG1 ILE 47 1HG1 ILE 47 -17.190 -14.988 21.898 773 1HG2 ILE 47 1HG2 ILE 47 -19.076 -11.445 21.563 774 2HG2 ILE 47 3HG2 ILE 47 -18.547 -12.360 22.975 775 3HG2 ILE 47 2HG2 ILE 47 -17.441 -11.233 22.190 776 1HD1 ILE 47 1HD1 ILE 47 -15.258 -13.021 20.759 777 2HD1 ILE 47 3HD1 ILE 47 -14.662 -14.121 22.002 778 3HD1 ILE 47 2HD1 ILE 47 -15.358 -14.765 20.515 779 1H GLY 1 2H GLY 1 23.147 8.806 9.478 780 2H GLY 1 1H GLY 1 22.348 7.868 10.648 781 3H GLY 1 3H GLY 1 23.010 9.369 11.074 782 1HA GLY 1 2HA GLY 1 25.084 8.577 11.294 783 2HA GLY 1 1HA GLY 1 24.236 7.044 11.506 784 H SER 2 H SER 2 25.711 9.123 9.019 785 HA SER 2 HA SER 2 26.330 6.628 7.469 786 1HB SER 2 2HB SER 2 24.474 8.058 6.536 787 2HB SER 2 1HB SER 2 25.633 9.375 6.381 788 HG SER 2 HG SER 2 25.178 7.597 4.606 789 H HIS 3 H HIS 3 28.253 6.980 5.993 790 HA HIS 3 HA HIS 3 30.242 8.800 7.307 791 1HB HIS 3 2HB HIS 3 30.224 6.073 6.991 792 2HB HIS 3 1HB HIS 3 31.158 6.581 5.585 793 HD1 HIS 3 HD1 HIS 3 33.404 5.748 6.575 794 HD2 HIS 3 HD2 HIS 3 31.492 8.598 8.943 795 HE1 HIS 3 HE1 HIS 3 35.099 6.499 8.299 796 H MET 4 H MET 4 32.197 8.598 5.261 797 HA MET 4 HA MET 4 31.198 10.567 3.356 798 1HB MET 4 2HB MET 4 33.734 9.265 4.155 799 2HB MET 4 1HB MET 4 33.667 9.792 2.472 800 1HG MET 4 2HG MET 4 34.514 11.654 3.716 801 2HG MET 4 1HG MET 4 32.833 12.040 3.340 802 1HE MET 4 3HE MET 4 35.452 11.007 5.445 803 2HE MET 4 2HE MET 4 35.109 11.778 6.993 804 3HE MET 4 1HE MET 4 34.692 10.083 6.747 805 H GLU 5 H GLU 5 29.489 9.225 2.323 806 HA GLU 5 HA GLU 5 30.611 7.242 0.367 807 1HB GLU 5 2HB GLU 5 28.529 7.117 2.344 808 2HB GLU 5 1HB GLU 5 27.804 6.926 0.746 809 1HG GLU 5 2HG GLU 5 28.408 4.727 1.262 810 2HG GLU 5 1HG GLU 5 29.806 5.278 0.338 811 H GLU 6 H GLU 6 30.334 7.816 -1.768 812 HA GLU 6 HA GLU 6 29.390 10.281 -2.685 813 1HB GLU 6 2HB GLU 6 29.983 7.610 -3.762 814 2HB GLU 6 1HB GLU 6 28.816 8.504 -4.736 815 1HG GLU 6 2HG GLU 6 30.767 10.397 -4.064 816 2HG GLU 6 1HG GLU 6 31.677 8.936 -4.450 817 H ASP 7 H ASP 7 27.351 10.869 -3.745 818 HA ASP 7 HA ASP 7 25.031 9.228 -3.784 819 1HB ASP 7 2HB ASP 7 25.296 9.282 -1.360 820 2HB ASP 7 1HB ASP 7 25.401 11.042 -1.383 821 HA PRO 8 HA PRO 8 24.904 13.369 -5.867 822 1HB PRO 8 2HB PRO 8 24.523 12.391 -8.395 823 2HB PRO 8 1HB PRO 8 26.131 12.636 -7.686 824 1HG PRO 8 2HG PRO 8 24.566 10.130 -8.000 825 2HG PRO 8 1HG PRO 8 26.309 10.401 -8.154 826 1HD PRO 8 2HD PRO 8 25.120 9.286 -5.952 827 2HD PRO 8 1HD PRO 8 26.672 10.151 -5.914 828 H CYS 9 H CYS 9 22.983 10.546 -7.006 829 HA CYS 9 HA CYS 9 20.510 12.161 -6.496 830 1HB CYS 9 2HB CYS 9 21.516 10.649 -8.876 831 2HB CYS 9 1HB CYS 9 19.777 10.666 -8.581 832 H GLU 10 H GLU 10 21.532 10.353 -4.577 833 HA GLU 10 HA GLU 10 21.038 8.345 -3.417 834 1HB GLU 10 2HB GLU 10 18.438 9.452 -4.493 835 2HB GLU 10 1HB GLU 10 18.478 8.103 -3.358 836 1HG GLU 10 2HG GLU 10 19.342 9.402 -1.628 837 2HG GLU 10 1HG GLU 10 20.038 10.588 -2.733 838 H CYS 11 H CYS 11 21.923 7.839 -6.131 839 HA CYS 11 HA CYS 11 20.430 6.244 -7.801 840 1HB CYS 11 2HB CYS 11 23.255 6.272 -6.836 841 2HB CYS 11 1HB CYS 11 22.748 4.888 -7.810 842 H LYS 12 H LYS 12 21.504 5.432 -4.556 843 HA LYS 12 HA LYS 12 20.180 2.751 -4.847 844 1HB LYS 12 2HB LYS 12 22.663 3.701 -3.417 845 2HB LYS 12 1HB LYS 12 21.861 2.204 -2.939 846 1HG LYS 12 2HG LYS 12 23.142 1.243 -4.550 847 2HG LYS 12 1HG LYS 12 21.964 1.929 -5.669 848 1HD LYS 12 2HD LYS 12 23.384 3.585 -6.364 849 2HD LYS 12 1HD LYS 12 24.134 3.752 -4.776 850 1HE LYS 12 2HE LYS 12 25.725 2.149 -5.215 851 2HE LYS 12 1HE LYS 12 24.619 1.180 -6.209 852 1HZ LYS 12 3HZ LYS 12 25.035 3.772 -7.322 853 2HZ LYS 12 2HZ LYS 12 26.510 2.949 -7.136 854 3HZ LYS 12 1HZ LYS 12 25.252 2.251 -8.039 855 H SER 13 H SER 13 20.107 5.773 -3.300 856 HA SER 13 HA SER 13 19.002 4.873 -0.736 857 1HB SER 13 2HB SER 13 19.704 7.396 -2.147 858 2HB SER 13 1HB SER 13 18.503 7.526 -0.868 859 HG SER 13 HG SER 13 20.706 7.744 -0.148 860 H ILE 14 H ILE 14 17.759 5.909 -3.848 861 HA ILE 14 HA ILE 14 14.994 6.273 -2.926 862 HB ILE 14 HB ILE 14 16.389 6.130 -5.612 863 1HG1 ILE 14 2HG1 ILE 14 15.105 8.567 -4.436 864 2HG1 ILE 14 1HG1 ILE 14 16.676 8.060 -3.821 865 1HG2 ILE 14 2HG2 ILE 14 13.976 5.462 -5.746 866 2HG2 ILE 14 1HG2 ILE 14 13.546 7.012 -5.024 867 3HG2 ILE 14 3HG2 ILE 14 14.326 6.961 -6.604 868 1HD1 ILE 14 2HD1 ILE 14 17.566 8.050 -6.135 869 2HD1 ILE 14 1HD1 ILE 14 16.004 8.618 -6.723 870 3HD1 ILE 14 3HD1 ILE 14 16.974 9.645 -5.670 871 H VAL 15 H VAL 15 16.923 3.833 -4.587 872 HA VAL 15 HA VAL 15 14.613 2.057 -5.026 873 HB VAL 15 HB VAL 15 17.438 1.109 -5.284 874 1HG1 VAL 15 2HG1 VAL 15 14.998 1.087 -7.089 875 2HG1 VAL 15 1HG1 VAL 15 16.529 0.290 -7.452 876 3HG1 VAL 15 3HG1 VAL 15 15.558 -0.248 -6.082 877 1HG2 VAL 15 2HG2 VAL 15 16.284 3.445 -6.818 878 2HG2 VAL 15 1HG2 VAL 15 17.880 3.302 -6.083 879 3HG2 VAL 15 3HG2 VAL 15 17.498 2.393 -7.544 880 H LYS 16 H LYS 16 17.001 2.722 -2.643 881 HA LYS 16 HA LYS 16 16.955 0.152 -1.271 882 1HB LYS 16 2HB LYS 16 18.822 1.555 -0.845 883 2HB LYS 16 1HB LYS 16 17.812 2.991 -0.684 884 1HG LYS 16 2HG LYS 16 17.164 0.879 1.250 885 2HG LYS 16 1HG LYS 16 18.799 1.519 1.422 886 1HD LYS 16 2HD LYS 16 17.502 3.842 1.116 887 2HD LYS 16 1HD LYS 16 16.177 2.891 1.792 888 1HE LYS 16 2HE LYS 16 17.443 2.372 3.776 889 2HE LYS 16 1HE LYS 16 18.929 3.034 3.069 890 1HZ LYS 16 1HZ LYS 16 16.961 4.982 2.811 891 2HZ LYS 16 3HZ LYS 16 16.857 4.413 4.405 892 3HZ LYS 16 2HZ LYS 16 18.329 5.022 3.817 893 H PHE 17 H PHE 17 15.338 3.300 -0.958 894 HA PHE 17 HA PHE 17 13.652 2.574 1.279 895 1HB PHE 17 2HB PHE 17 13.836 4.871 0.945 896 2HB PHE 17 1HB PHE 17 13.865 4.714 -0.809 897 HD1 PHE 17 HD1 PHE 17 11.704 4.111 -2.017 898 HD2 PHE 17 HD2 PHE 17 11.814 5.337 2.099 899 HE1 PHE 17 HE1 PHE 17 9.282 4.627 -2.107 900 HE2 PHE 17 HE2 PHE 17 9.392 5.855 2.008 901 HZ PHE 17 HZ PHE 17 8.125 5.502 -0.095 902 H GLN 18 H GLN 18 13.460 2.234 -2.227 903 HA GLN 18 HA GLN 18 10.707 1.622 -2.549 904 1HB GLN 18 2HB GLN 18 13.286 0.974 -3.921 905 2HB GLN 18 1HB GLN 18 11.846 0.085 -4.418 906 1HG GLN 18 2HG GLN 18 10.715 2.420 -4.553 907 2HG GLN 18 1HG GLN 18 12.364 3.050 -4.556 908 1HE2 GLN 18 2HE2 GLN 18 12.680 0.641 -7.615 909 2HE2 GLN 18 1HE2 GLN 18 13.062 0.303 -5.997 910 H THR 19 H THR 19 13.448 -0.555 -1.851 911 HA THR 19 HA THR 19 11.993 -3.003 -1.715 912 HB THR 19 HB THR 19 14.496 -1.922 -0.396 913 HG1 THR 19 HG1 THR 19 14.113 -2.565 -2.753 914 1HG2 THR 19 3HG2 THR 19 13.395 -4.743 -0.276 915 2HG2 THR 19 2HG2 THR 19 15.005 -4.258 0.254 916 3HG2 THR 19 1HG2 THR 19 13.580 -3.642 1.089 917 H LYS 20 H LYS 20 12.431 -0.411 0.656 918 HA LYS 20 HA LYS 20 11.365 -1.834 2.936 919 1HB LYS 20 2HB LYS 20 11.702 1.069 2.134 920 2HB LYS 20 1HB LYS 20 11.006 0.617 3.689 921 1HG LYS 20 2HG LYS 20 13.249 -0.975 3.586 922 2HG LYS 20 1HG LYS 20 13.805 0.493 2.783 923 1HD LYS 20 2HD LYS 20 12.218 0.849 5.277 924 2HD LYS 20 1HD LYS 20 13.852 0.213 5.459 925 1HE LYS 20 2HE LYS 20 14.340 2.480 5.497 926 2HE LYS 20 1HE LYS 20 14.376 2.231 3.739 927 1HZ LYS 20 2HZ LYS 20 11.824 2.752 5.120 928 2HZ LYS 20 1HZ LYS 20 12.835 4.049 4.689 929 3HZ LYS 20 3HZ LYS 20 12.229 3.012 3.490 930 H VAL 21 H VAL 21 10.012 -0.049 0.249 931 HA VAL 21 HA VAL 21 7.276 0.023 1.309 932 HB VAL 21 HB VAL 21 8.794 0.815 -1.148 933 1HG1 VAL 21 1HG1 VAL 21 5.777 0.522 -1.041 934 2HG1 VAL 21 3HG1 VAL 21 6.659 1.390 -2.298 935 3HG1 VAL 21 2HG1 VAL 21 6.874 -0.351 -2.111 936 1HG2 VAL 21 1HG2 VAL 21 6.811 2.152 0.711 937 2HG2 VAL 21 3HG2 VAL 21 8.548 2.444 0.620 938 3HG2 VAL 21 2HG2 VAL 21 7.500 2.939 -0.710 939 H GLU 22 H GLU 22 9.309 -2.180 -0.394 940 HA GLU 22 HA GLU 22 7.252 -3.674 -1.796 941 1HB GLU 22 2HB GLU 22 10.151 -3.893 -1.097 942 2HB GLU 22 1HB GLU 22 9.330 -5.373 -1.587 943 1HG GLU 22 2HG GLU 22 8.432 -3.978 -3.577 944 2HG GLU 22 1HG GLU 22 9.705 -2.830 -3.161 945 H GLU 23 H GLU 23 9.050 -4.150 1.255 946 HA GLU 23 HA GLU 23 7.607 -6.553 2.012 947 1HB GLU 23 2HB GLU 23 9.132 -4.584 3.745 948 2HB GLU 23 1HB GLU 23 8.884 -6.304 4.051 949 1HG GLU 23 2HG GLU 23 10.047 -6.010 1.449 950 2HG GLU 23 1HG GLU 23 11.007 -5.076 2.598 951 H LEU 24 H LEU 24 7.271 -3.082 2.706 952 HA LEU 24 HA LEU 24 5.270 -3.303 4.755 953 1HB LEU 24 2HB LEU 24 6.778 -1.330 3.769 954 2HB LEU 24 1HB LEU 24 5.328 -1.026 2.811 955 HG LEU 24 HG LEU 24 3.988 -0.982 4.914 956 1HD1 LEU 24 3HD1 LEU 24 6.641 -1.733 6.012 957 2HD1 LEU 24 2HD1 LEU 24 5.731 -0.546 6.948 958 3HD1 LEU 24 1HD1 LEU 24 5.026 -2.127 6.601 959 1HD2 LEU 24 1HD2 LEU 24 5.261 1.044 3.819 960 2HD2 LEU 24 3HD2 LEU 24 4.532 1.241 5.413 961 3HD2 LEU 24 2HD2 LEU 24 6.266 0.954 5.266 962 H ILE 25 H ILE 25 5.018 -2.819 1.216 963 HA ILE 25 HA ILE 25 2.168 -2.717 1.091 964 HB ILE 25 HB ILE 25 4.484 -2.912 -0.670 965 1HG1 ILE 25 2HG1 ILE 25 3.191 -1.394 -2.006 966 2HG1 ILE 25 1HG1 ILE 25 1.683 -1.925 -1.261 967 1HG2 ILE 25 3HG2 ILE 25 3.483 -5.092 -1.297 968 2HG2 ILE 25 2HG2 ILE 25 1.945 -4.286 -1.609 969 3HG2 ILE 25 1HG2 ILE 25 3.351 -3.920 -2.609 970 1HD1 ILE 25 3HD1 ILE 25 3.627 -1.010 0.718 971 2HD1 ILE 25 2HD1 ILE 25 3.220 0.248 -0.448 972 3HD1 ILE 25 1HD1 ILE 25 1.946 -0.528 0.493 973 H ASN 26 H ASN 26 4.438 -5.462 1.087 974 HA ASN 26 HA ASN 26 2.505 -7.501 0.466 975 1HB ASN 26 2HB ASN 26 5.162 -7.422 0.643 976 2HB ASN 26 1HB ASN 26 4.841 -7.972 2.289 977 1HD2 ASN 26 2HD2 ASN 26 4.981 -11.185 0.682 978 2HD2 ASN 26 1HD2 ASN 26 5.923 -10.048 1.521 979 H THR 27 H THR 27 3.653 -6.082 3.502 980 HA THR 27 HA THR 27 2.169 -7.768 5.299 981 HB THR 27 HB THR 27 3.278 -4.948 5.444 982 HG1 THR 27 HG1 THR 27 4.293 -7.462 5.686 983 1HG2 THR 27 1HG2 THR 27 1.748 -6.565 7.410 984 2HG2 THR 27 3HG2 THR 27 3.188 -5.752 8.023 985 3HG2 THR 27 2HG2 THR 27 1.900 -4.814 7.267 986 H LEU 28 H LEU 28 1.373 -4.838 3.490 987 HA LEU 28 HA LEU 28 -1.089 -4.240 4.903 988 1HB LEU 28 2HB LEU 28 0.277 -3.479 2.335 989 2HB LEU 28 1HB LEU 28 -1.406 -3.005 2.572 990 HG LEU 28 HG LEU 28 0.477 -2.514 4.829 991 1HD1 LEU 28 3HD1 LEU 28 0.672 -1.247 2.132 992 2HD1 LEU 28 2HD1 LEU 28 0.797 -0.186 3.536 993 3HD1 LEU 28 1HD1 LEU 28 1.929 -1.523 3.336 994 1HD2 LEU 28 2HD2 LEU 28 -2.114 -1.598 3.824 995 2HD2 LEU 28 1HD2 LEU 28 -1.457 -1.517 5.459 996 3HD2 LEU 28 3HD2 LEU 28 -1.063 -0.260 4.286 997 H GLN 29 H GLN 29 -0.294 -5.976 1.898 998 HA GLN 29 HA GLN 29 -3.020 -6.694 1.255 999 1HB GLN 29 2HB GLN 29 -0.757 -6.622 -0.114 1000 2HB GLN 29 1HB GLN 29 -0.591 -8.277 0.467 1001 1HG GLN 29 2HG GLN 29 -2.863 -8.788 -0.435 1002 2HG GLN 29 1HG GLN 29 -2.925 -7.160 -1.111 1003 1HE2 GLN 29 2HE2 GLN 29 -1.285 -9.931 -3.358 1004 2HE2 GLN 29 1HE2 GLN 29 -2.470 -10.175 -2.168 1005 H GLN 30 H GLN 30 -0.719 -7.773 3.552 1006 HA GLN 30 HA GLN 30 -1.673 -10.526 3.818 1007 1HB GLN 30 2HB GLN 30 0.137 -8.623 5.307 1008 2HB GLN 30 1HB GLN 30 -0.297 -10.176 6.024 1009 1HG GLN 30 2HG GLN 30 0.420 -10.611 3.291 1010 2HG GLN 30 1HG GLN 30 1.690 -9.655 4.053 1011 1HE2 GLN 30 2HE2 GLN 30 1.209 -13.551 5.097 1012 2HE2 GLN 30 1HE2 GLN 30 0.196 -12.818 3.949 1013 H LYS 31 H LYS 31 -1.907 -7.567 5.800 1014 HA LYS 31 HA LYS 31 -3.830 -8.617 7.670 1015 1HB LYS 31 2HB LYS 31 -2.553 -6.066 6.932 1016 2HB LYS 31 1HB LYS 31 -4.178 -5.873 7.587 1017 1HG LYS 31 2HG LYS 31 -3.575 -7.174 9.567 1018 2HG LYS 31 1HG LYS 31 -1.969 -7.477 8.902 1019 1HD LYS 31 2HD LYS 31 -1.881 -4.837 8.756 1020 2HD LYS 31 1HD LYS 31 -3.109 -4.943 10.017 1021 1HE LYS 31 2HE LYS 31 -1.156 -4.948 11.309 1022 2HE LYS 31 1HE LYS 31 -1.388 -6.691 11.065 1023 1HZ LYS 31 2HZ LYS 31 0.026 -5.131 9.015 1024 2HZ LYS 31 1HZ LYS 31 0.868 -5.589 10.419 1025 3HZ LYS 31 3HZ LYS 31 0.185 -6.774 9.416 1026 H LEU 32 H LEU 32 -4.050 -7.442 4.428 1027 HA LEU 32 HA LEU 32 -6.873 -6.705 4.484 1028 1HB LEU 32 2HB LEU 32 -4.842 -6.049 2.920 1029 2HB LEU 32 1HB LEU 32 -5.321 -7.497 2.036 1030 HG LEU 32 HG LEU 32 -7.574 -6.634 1.740 1031 1HD1 LEU 32 2HD1 LEU 32 -6.610 -4.648 3.743 1032 2HD1 LEU 32 1HD1 LEU 32 -7.721 -4.063 2.506 1033 3HD1 LEU 32 3HD1 LEU 32 -8.202 -5.385 3.569 1034 1HD2 LEU 32 1HD2 LEU 32 -5.276 -4.816 1.038 1035 2HD2 LEU 32 3HD2 LEU 32 -6.197 -5.890 -0.016 1036 3HD2 LEU 32 2HD2 LEU 32 -6.922 -4.393 0.569 1037 H GLU 33 H GLU 33 -4.987 -9.488 3.256 1038 HA GLU 33 HA GLU 33 -7.311 -11.014 2.440 1039 1HB GLU 33 2HB GLU 33 -5.012 -11.280 1.541 1040 2HB GLU 33 1HB GLU 33 -4.463 -11.823 3.126 1041 1HG GLU 33 2HG GLU 33 -5.652 -13.839 2.991 1042 2HG GLU 33 1HG GLU 33 -6.752 -13.219 1.759 1043 H ALA 34 H ALA 34 -5.867 -10.318 5.458 1044 HA ALA 34 HA ALA 34 -6.889 -12.753 6.805 1045 1HB ALA 34 3HB ALA 34 -4.739 -11.032 7.156 1046 2HB ALA 34 2HB ALA 34 -5.867 -10.494 8.400 1047 3HB ALA 34 1HB ALA 34 -5.322 -12.171 8.368 1048 H VAL 35 H VAL 35 -7.505 -9.331 6.389 1049 HA VAL 35 HA VAL 35 -9.552 -8.991 8.368 1050 HB VAL 35 HB VAL 35 -8.542 -7.671 5.884 1051 1HG1 VAL 35 3HG1 VAL 35 -11.030 -7.619 5.660 1052 2HG1 VAL 35 2HG1 VAL 35 -11.107 -6.783 7.212 1053 3HG1 VAL 35 1HG1 VAL 35 -10.303 -6.022 5.839 1054 1HG2 VAL 35 1HG2 VAL 35 -9.140 -6.687 8.687 1055 2HG2 VAL 35 3HG2 VAL 35 -7.557 -7.179 8.083 1056 3HG2 VAL 35 2HG2 VAL 35 -8.346 -5.748 7.423 1057 H ALA 36 H ALA 36 -9.584 -9.932 4.928 1058 HA ALA 36 HA ALA 36 -12.433 -10.130 4.638 1059 1HB ALA 36 2HB ALA 36 -10.460 -10.130 2.923 1060 2HB ALA 36 1HB ALA 36 -10.403 -11.867 3.229 1061 3HB ALA 36 3HB ALA 36 -11.866 -11.135 2.571 1062 H LYS 37 H LYS 37 -9.964 -12.264 5.943 1063 HA LYS 37 HA LYS 37 -11.621 -14.653 6.030 1064 1HB LYS 37 2HB LYS 37 -8.968 -13.702 6.940 1065 2HB LYS 37 1HB LYS 37 -9.677 -14.969 7.942 1066 1HG LYS 37 2HG LYS 37 -9.829 -16.479 6.112 1067 2HG LYS 37 1HG LYS 37 -9.565 -15.195 4.931 1068 1HD LYS 37 2HD LYS 37 -7.314 -15.326 5.129 1069 2HD LYS 37 1HD LYS 37 -7.394 -15.409 6.890 1070 1HE LYS 37 2HE LYS 37 -8.371 -17.863 6.294 1071 2HE LYS 37 1HE LYS 37 -7.297 -17.621 4.902 1072 1HZ LYS 37 1HZ LYS 37 -6.291 -16.781 7.506 1073 2HZ LYS 37 3HZ LYS 37 -6.404 -18.454 7.251 1074 3HZ LYS 37 2HZ LYS 37 -5.467 -17.499 6.205 1075 H ARG 38 H ARG 38 -11.021 -11.925 8.179 1076 HA ARG 38 HA ARG 38 -12.342 -13.066 10.498 1077 1HB ARG 38 2HB ARG 38 -11.823 -10.174 9.730 1078 2HB ARG 38 1HB ARG 38 -12.092 -10.796 11.356 1079 1HG ARG 38 2HG ARG 38 -9.916 -12.133 9.880 1080 2HG ARG 38 1HG ARG 38 -9.618 -10.434 10.251 1081 1HD ARG 38 2HD ARG 38 -10.773 -11.934 12.509 1082 2HD ARG 38 1HD ARG 38 -9.168 -12.503 12.013 1083 HE ARG 38 HE ARG 38 -9.043 -9.691 11.995 1084 1HH1 ARG 38 1HH2 ARG 38 -9.017 -12.411 14.067 1085 2HH1 ARG 38 2HH2 ARG 38 -8.669 -11.502 15.499 1086 1HH2 ARG 38 2HH1 ARG 38 -8.848 -8.425 13.908 1087 2HH2 ARG 38 1HH1 ARG 38 -8.572 -9.244 15.409 1088 H ILE 39 H ILE 39 -13.284 -10.992 7.788 1089 HA ILE 39 HA ILE 39 -15.910 -10.279 8.631 1090 HB ILE 39 HB ILE 39 -14.599 -10.799 5.948 1091 1HG1 ILE 39 2HG1 ILE 39 -13.958 -8.836 7.518 1092 2HG1 ILE 39 1HG1 ILE 39 -14.320 -8.455 5.837 1093 1HG2 ILE 39 3HG2 ILE 39 -17.058 -11.170 5.795 1094 2HG2 ILE 39 2HG2 ILE 39 -17.317 -9.552 6.446 1095 3HG2 ILE 39 1HG2 ILE 39 -16.529 -9.756 4.881 1096 1HD1 ILE 39 2HD1 ILE 39 -16.709 -7.979 6.582 1097 2HD1 ILE 39 1HD1 ILE 39 -16.121 -8.093 8.240 1098 3HD1 ILE 39 3HD1 ILE 39 -15.494 -6.847 7.165 1099 H GLU 40 H GLU 40 -14.694 -13.058 6.772 1100 HA GLU 40 HA GLU 40 -17.186 -14.416 6.435 1101 1HB GLU 40 2HB GLU 40 -14.368 -15.508 6.779 1102 2HB GLU 40 1HB GLU 40 -15.709 -16.341 5.995 1103 1HG GLU 40 2HG GLU 40 -15.514 -13.794 4.768 1104 2HG GLU 40 1HG GLU 40 -13.873 -14.436 4.863 1105 H ALA 41 H ALA 41 -14.752 -14.422 9.020 1106 HA ALA 41 HA ALA 41 -15.727 -16.514 10.646 1107 1HB ALA 41 2HB ALA 41 -13.793 -14.578 10.778 1108 2HB ALA 41 1HB ALA 41 -14.927 -14.000 11.999 1109 3HB ALA 41 3HB ALA 41 -14.230 -15.614 12.137 1110 H LEU 42 H LEU 42 -16.865 -13.203 10.213 1111 HA LEU 42 HA LEU 42 -18.921 -13.382 12.295 1112 1HB LEU 42 2HB LEU 42 -18.222 -11.457 10.057 1113 2HB LEU 42 1HB LEU 42 -19.607 -11.196 11.105 1114 HG LEU 42 HG LEU 42 -18.163 -10.062 12.430 1115 1HD1 LEU 42 3HD1 LEU 42 -17.038 -12.828 12.964 1116 2HD1 LEU 42 2HD1 LEU 42 -16.800 -11.416 13.992 1117 3HD1 LEU 42 1HD1 LEU 42 -18.415 -12.094 13.787 1118 1HD2 LEU 42 3HD2 LEU 42 -16.432 -10.809 10.369 1119 2HD2 LEU 42 2HD2 LEU 42 -16.109 -9.618 11.629 1120 3HD2 LEU 42 1HD2 LEU 42 -15.595 -11.291 11.845 1121 H GLU 43 H GLU 43 -18.670 -13.804 8.807 1122 HA GLU 43 HA GLU 43 -21.500 -13.949 8.252 1123 1HB GLU 43 2HB GLU 43 -19.080 -15.100 6.823 1124 2HB GLU 43 1HB GLU 43 -20.668 -14.826 6.104 1125 1HG GLU 43 2HG GLU 43 -20.066 -12.383 7.263 1126 2HG GLU 43 1HG GLU 43 -18.513 -12.921 6.622 1127 H ASN 44 H ASN 44 -19.269 -16.066 9.747 1128 HA ASN 44 HA ASN 44 -20.548 -18.588 9.032 1129 1HB ASN 44 2HB ASN 44 -18.509 -17.590 11.014 1130 2HB ASN 44 1HB ASN 44 -19.142 -19.230 11.162 1131 1HD2 ASN 44 2HD2 ASN 44 -17.499 -18.637 7.468 1132 2HD2 ASN 44 1HD2 ASN 44 -18.764 -17.644 8.010 1133 H LYS 45 H LYS 45 -20.993 -16.086 11.417 1134 HA LYS 45 HA LYS 45 -23.036 -17.756 12.833 1135 1HB LYS 45 2HB LYS 45 -21.304 -15.397 13.615 1136 2HB LYS 45 1HB LYS 45 -22.661 -15.934 14.608 1137 1HG LYS 45 2HG LYS 45 -20.614 -16.989 15.413 1138 2HG LYS 45 1HG LYS 45 -21.650 -18.216 14.686 1139 1HD LYS 45 2HD LYS 45 -20.257 -18.527 12.884 1140 2HD LYS 45 1HD LYS 45 -19.711 -16.850 12.885 1141 1HE LYS 45 2HE LYS 45 -17.792 -17.820 13.734 1142 2HE LYS 45 1HE LYS 45 -18.680 -17.663 15.262 1143 1HZ LYS 45 1HZ LYS 45 -19.634 -19.943 13.967 1144 2HZ LYS 45 3HZ LYS 45 -17.941 -20.026 13.911 1145 3HZ LYS 45 2HZ LYS 45 -18.733 -19.866 15.405 1146 H ILE 46 H ILE 46 -22.613 -15.173 10.651 1147 HA ILE 46 HA ILE 46 -25.197 -13.884 11.395 1148 HB ILE 46 HB ILE 46 -22.945 -13.207 9.473 1149 1HG1 ILE 46 2HG1 ILE 46 -22.074 -12.279 11.362 1150 2HG1 ILE 46 1HG1 ILE 46 -23.327 -11.061 11.187 1151 1HG2 ILE 46 1HG2 ILE 46 -25.706 -12.133 9.746 1152 2HG2 ILE 46 3HG2 ILE 46 -24.411 -10.956 9.524 1153 3HG2 ILE 46 2HG2 ILE 46 -24.666 -12.224 8.325 1154 1HD1 ILE 46 2HD1 ILE 46 -24.833 -12.480 12.603 1155 2HD1 ILE 46 1HD1 ILE 46 -23.486 -13.587 12.860 1156 3HD1 ILE 46 3HD1 ILE 46 -23.392 -11.932 13.457 1157 H ILE 47 HN ILE 47 -23.800 -16.142 9.200 1158 HA ILE 47 HA ILE 47 -25.832 -15.786 7.095 1159 HB ILE 47 HB ILE 47 -23.403 -16.463 6.799 1160 1HG1 ILE 47 2HG1 ILE 47 -24.503 -18.720 5.496 1161 2HG1 ILE 47 1HG1 ILE 47 -25.788 -17.511 5.553 1162 1HG2 ILE 47 1HG2 ILE 47 -23.560 -18.078 8.799 1163 2HG2 ILE 47 3HG2 ILE 47 -24.358 -19.189 7.685 1164 3HG2 ILE 47 2HG2 ILE 47 -22.705 -18.662 7.371 1165 1HD1 ILE 47 1HD1 ILE 47 -23.029 -16.638 4.778 1166 2HD1 ILE 47 3HD1 ILE 47 -24.015 -17.484 3.586 1167 3HD1 ILE 47 2HD1 ILE 47 -24.589 -15.974 4.291 No H/Q in entry = 1167 Start of MODEL 15 1 1H GLY 1 3H GLY 1 35.405 -4.495 -11.849 2 2H GLY 1 2H GLY 1 35.030 -5.154 -10.329 3 3H GLY 1 1H GLY 1 34.881 -6.104 -11.731 4 1HA GLY 1 2HA GLY 1 32.710 -5.556 -11.494 5 2HA GLY 1 1HA GLY 1 33.101 -4.045 -10.671 6 H SER 2 H SER 2 34.365 -5.226 -13.775 7 HA SER 2 HA SER 2 34.211 -2.756 -15.128 8 1HB SER 2 2HB SER 2 35.401 -4.893 -15.780 9 2HB SER 2 1HB SER 2 33.844 -5.531 -16.299 10 HG SER 2 HG SER 2 35.428 -3.505 -17.393 11 H HIS 3 H HIS 3 32.180 -1.717 -14.775 12 HA HIS 3 HA HIS 3 29.659 -3.082 -15.396 13 1HB HIS 3 2HB HIS 3 30.618 -0.728 -14.051 14 2HB HIS 3 1HB HIS 3 29.389 -0.250 -15.223 15 HD1 HIS 3 HD1 HIS 3 29.887 -2.510 -12.230 16 HD2 HIS 3 HD2 HIS 3 26.771 -1.037 -14.576 17 HE1 HIS 3 HE1 HIS 3 27.739 -3.154 -11.053 18 H MET 4 H MET 4 28.131 -1.985 -17.007 19 HA MET 4 HA MET 4 29.658 -1.248 -19.481 20 1HB MET 4 2HB MET 4 26.859 -2.380 -19.155 21 2HB MET 4 1HB MET 4 27.769 -2.240 -20.659 22 1HG MET 4 2HG MET 4 29.445 -3.633 -18.858 23 2HG MET 4 1HG MET 4 27.845 -4.355 -18.698 24 1HE MET 4 3HE MET 4 30.792 -3.536 -20.418 25 2HE MET 4 2HE MET 4 31.042 -5.226 -20.852 26 3HE MET 4 1HE MET 4 30.708 -4.041 -22.111 27 H GLU 5 H GLU 5 27.697 -0.085 -20.982 28 HA GLU 5 HA GLU 5 26.984 2.340 -19.374 29 1HB GLU 5 2HB GLU 5 28.112 1.793 -22.019 30 2HB GLU 5 1HB GLU 5 26.762 2.925 -22.088 31 1HG GLU 5 2HG GLU 5 27.822 4.341 -20.395 32 2HG GLU 5 1HG GLU 5 29.149 3.190 -20.237 33 H GLU 6 H GLU 6 25.225 0.146 -19.173 34 HA GLU 6 HA GLU 6 22.896 1.089 -20.817 35 1HB GLU 6 2HB GLU 6 22.179 -1.335 -20.693 36 2HB GLU 6 1HB GLU 6 23.665 -1.070 -21.605 37 1HG GLU 6 2HG GLU 6 24.819 -2.390 -20.194 38 2HG GLU 6 1HG GLU 6 24.292 -1.429 -18.811 39 H ASP 7 H ASP 7 21.566 2.149 -19.386 40 HA ASP 7 HA ASP 7 20.443 2.657 -17.355 41 1HB ASP 7 2HB ASP 7 19.279 0.682 -18.391 42 2HB ASP 7 1HB ASP 7 20.269 -0.372 -17.382 43 HA PRO 8 HA PRO 8 24.041 1.423 -14.725 44 1HB PRO 8 2HB PRO 8 24.774 3.967 -14.027 45 2HB PRO 8 1HB PRO 8 25.368 3.153 -15.488 46 1HG PRO 8 2HG PRO 8 23.278 5.238 -15.206 47 2HG PRO 8 1HG PRO 8 24.436 4.965 -16.514 48 1HD PRO 8 2HD PRO 8 21.766 4.253 -16.587 49 2HD PRO 8 1HD PRO 8 23.037 3.551 -17.611 50 H CYS 9 H CYS 9 22.267 4.428 -13.872 51 HA CYS 9 HA CYS 9 21.840 3.369 -11.136 52 1HB CYS 9 2HB CYS 9 21.744 5.992 -12.571 53 2HB CYS 9 1HB CYS 9 20.764 5.826 -11.109 54 H GLU 10 H GLU 10 20.351 2.168 -13.411 55 HA GLU 10 HA GLU 10 18.117 1.685 -14.063 56 1HB GLU 10 2HB GLU 10 18.170 2.053 -11.065 57 2HB GLU 10 1HB GLU 10 16.701 1.528 -11.890 58 1HG GLU 10 2HG GLU 10 17.523 -0.550 -12.273 59 2HG GLU 10 1HG GLU 10 19.113 0.067 -12.726 60 H CYS 11 H CYS 11 18.763 4.459 -14.475 61 HA CYS 11 HA CYS 11 17.190 6.427 -13.372 62 1HB CYS 11 2HB CYS 11 18.188 5.775 -16.101 63 2HB CYS 11 1HB CYS 11 17.013 7.089 -15.972 64 H LYS 12 H LYS 12 16.104 3.808 -15.457 65 HA LYS 12 HA LYS 12 13.295 4.816 -15.137 66 1HB LYS 12 2HB LYS 12 14.681 3.319 -17.383 67 2HB LYS 12 1HB LYS 12 12.940 3.598 -17.329 68 1HG LYS 12 2HG LYS 12 13.451 5.510 -18.459 69 2HG LYS 12 1HG LYS 12 13.881 6.119 -16.860 70 1HD LYS 12 2HD LYS 12 16.180 5.753 -17.202 71 2HD LYS 12 1HD LYS 12 15.897 4.616 -18.520 72 1HE LYS 12 2HE LYS 12 14.684 6.946 -19.435 73 2HE LYS 12 1HE LYS 12 16.152 7.531 -18.628 74 1HZ LYS 12 3HZ LYS 12 17.258 5.539 -19.781 75 2HZ LYS 12 2HZ LYS 12 15.906 5.557 -20.809 76 3HZ LYS 12 1HZ LYS 12 16.922 6.914 -20.714 77 H SER 13 H SER 13 15.499 2.319 -14.417 78 HA SER 13 HA SER 13 13.604 0.090 -14.383 79 1HB SER 13 2HB SER 13 16.431 0.673 -13.637 80 2HB SER 13 1HB SER 13 15.678 -0.722 -12.870 81 HG SER 13 HG SER 13 16.355 -0.265 -15.523 82 H ILE 14 H ILE 14 14.675 2.548 -12.138 83 HA ILE 14 HA ILE 14 13.565 1.269 -9.742 84 HB ILE 14 HB ILE 14 14.747 3.944 -10.503 85 1HG1 ILE 14 2HG1 ILE 14 15.786 2.033 -8.441 86 2HG1 ILE 14 1HG1 ILE 14 16.040 1.684 -10.149 87 1HG2 ILE 14 2HG2 ILE 14 13.005 4.247 -8.724 88 2HG2 ILE 14 1HG2 ILE 14 13.883 3.088 -7.724 89 3HG2 ILE 14 3HG2 ILE 14 14.637 4.619 -8.169 90 1HD1 ILE 14 3HD1 ILE 14 17.019 3.965 -10.428 91 2HD1 ILE 14 2HD1 ILE 14 16.876 4.203 -8.686 92 3HD1 ILE 14 1HD1 ILE 14 17.946 2.952 -9.321 93 H VAL 15 H VAL 15 12.693 3.811 -12.014 94 HA VAL 15 HA VAL 15 10.248 4.551 -10.584 95 HB VAL 15 HB VAL 15 10.841 5.219 -13.459 96 1HG1 VAL 15 2HG1 VAL 15 9.808 6.756 -11.056 97 2HG1 VAL 15 1HG1 VAL 15 10.026 7.446 -12.664 98 3HG1 VAL 15 3HG1 VAL 15 8.847 6.159 -12.410 99 1HG2 VAL 15 3HG2 VAL 15 12.419 6.108 -11.031 100 2HG2 VAL 15 2HG2 VAL 15 13.038 5.497 -12.566 101 3HG2 VAL 15 1HG2 VAL 15 12.318 7.100 -12.485 102 H LYS 16 H LYS 16 11.289 2.205 -12.859 103 HA LYS 16 HA LYS 16 8.687 1.649 -14.064 104 1HB LYS 16 2HB LYS 16 10.831 1.098 -15.156 105 2HB LYS 16 1HB LYS 16 11.268 0.056 -13.802 106 1HG LYS 16 2HG LYS 16 8.657 -0.455 -15.132 107 2HG LYS 16 1HG LYS 16 10.114 -0.898 -16.020 108 1HD LYS 16 2HD LYS 16 10.862 -2.055 -13.831 109 2HD LYS 16 1HD LYS 16 9.174 -1.911 -13.339 110 1HE LYS 16 2HE LYS 16 9.726 -3.030 -16.062 111 2HE LYS 16 1HE LYS 16 10.019 -4.073 -14.655 112 1HZ LYS 16 3HZ LYS 16 7.801 -3.418 -13.825 113 2HZ LYS 16 2HZ LYS 16 7.519 -2.590 -15.281 114 3HZ LYS 16 1HZ LYS 16 7.726 -4.276 -15.285 115 H PHE 17 H PHE 17 10.707 0.417 -11.426 116 HA PHE 17 HA PHE 17 8.964 -1.707 -10.567 117 1HB PHE 17 2HB PHE 17 11.103 -1.814 -9.650 118 2HB PHE 17 1HB PHE 17 11.237 -0.064 -9.511 119 HD1 PHE 17 HD1 PHE 17 10.170 1.136 -7.635 120 HD2 PHE 17 HD2 PHE 17 10.138 -3.152 -7.873 121 HE1 PHE 17 HE1 PHE 17 9.525 1.010 -5.244 122 HE2 PHE 17 HE2 PHE 17 9.492 -3.279 -5.482 123 HZ PHE 17 HZ PHE 17 9.185 -1.197 -4.166 124 H GLN 18 H GLN 18 9.098 1.770 -10.047 125 HA GLN 18 HA GLN 18 7.264 1.981 -7.857 126 1HB GLN 18 2HB GLN 18 8.165 3.747 -10.125 127 2HB GLN 18 1HB GLN 18 6.947 4.315 -8.982 128 1HG GLN 18 2HG GLN 18 8.508 3.809 -7.112 129 2HG GLN 18 1HG GLN 18 9.731 3.334 -8.290 130 1HE2 GLN 18 2HE2 GLN 18 10.288 6.931 -7.434 131 2HE2 GLN 18 1HE2 GLN 18 10.281 5.484 -6.552 132 H THR 19 H THR 19 6.734 2.013 -11.383 133 HA THR 19 HA THR 19 3.958 2.536 -11.431 134 HB THR 19 HB THR 19 5.898 2.037 -13.241 135 HG1 THR 19 HG1 THR 19 3.213 1.459 -13.871 136 1HG2 THR 19 3HG2 THR 19 5.772 -0.444 -12.668 137 2HG2 THR 19 2HG2 THR 19 4.183 -0.445 -13.432 138 3HG2 THR 19 1HG2 THR 19 5.616 -0.045 -14.379 139 H LYS 20 H LYS 20 5.708 -0.445 -10.720 140 HA LYS 20 HA LYS 20 3.409 -2.208 -10.687 141 1HB LYS 20 2HB LYS 20 6.203 -2.206 -9.531 142 2HB LYS 20 1HB LYS 20 5.087 -3.533 -9.203 143 1HG LYS 20 2HG LYS 20 4.778 -3.378 -11.868 144 2HG LYS 20 1HG LYS 20 6.432 -2.775 -11.746 145 1HD LYS 20 2HD LYS 20 7.146 -4.897 -11.532 146 2HD LYS 20 1HD LYS 20 6.269 -4.999 -10.004 147 1HE LYS 20 2HE LYS 20 4.906 -6.531 -10.968 148 2HE LYS 20 1HE LYS 20 4.323 -5.255 -12.057 149 1HZ LYS 20 3HZ LYS 20 6.922 -6.568 -12.534 150 2HZ LYS 20 2HZ LYS 20 5.487 -7.296 -13.080 151 3HZ LYS 20 1HZ LYS 20 5.924 -5.750 -13.635 152 H VAL 21 H VAL 21 5.100 -0.242 -8.297 153 HA VAL 21 HA VAL 21 3.506 -1.071 -6.017 154 HB VAL 21 HB VAL 21 5.531 1.010 -6.758 155 1HG1 VAL 21 1HG1 VAL 21 3.614 1.178 -4.454 156 2HG1 VAL 21 3HG1 VAL 21 5.274 1.736 -4.241 157 3HG1 VAL 21 2HG1 VAL 21 4.248 2.470 -5.472 158 1HG2 VAL 21 3HG2 VAL 21 5.268 -1.127 -4.627 159 2HG2 VAL 21 2HG2 VAL 21 6.350 -1.130 -6.019 160 3HG2 VAL 21 1HG2 VAL 21 6.617 0.007 -4.698 161 H GLU 22 H GLU 22 3.027 1.047 -8.680 162 HA GLU 22 HA GLU 22 1.165 2.893 -7.400 163 1HB GLU 22 2HB GLU 22 2.239 2.251 -10.115 164 2HB GLU 22 1HB GLU 22 0.724 3.146 -10.050 165 1HG GLU 22 2HG GLU 22 1.726 4.896 -8.729 166 2HG GLU 22 1HG GLU 22 3.202 3.956 -8.509 167 H GLU 23 H GLU 23 0.870 0.084 -9.588 168 HA GLU 23 HA GLU 23 -2.048 0.076 -9.500 169 1HB GLU 23 2HB GLU 23 -1.654 -2.129 -10.675 170 2HB GLU 23 1HB GLU 23 -0.834 -0.760 -11.426 171 1HG GLU 23 2HG GLU 23 1.251 -1.505 -10.829 172 2HG GLU 23 1HG GLU 23 0.680 -2.200 -9.312 173 H LEU 24 H LEU 24 0.550 -1.368 -7.643 174 HA LEU 24 HA LEU 24 -1.079 -3.417 -6.365 175 1HB LEU 24 2HB LEU 24 1.534 -3.100 -6.701 176 2HB LEU 24 1HB LEU 24 1.408 -2.222 -5.176 177 HG LEU 24 HG LEU 24 0.419 -4.152 -4.082 178 1HD1 LEU 24 3HD1 LEU 24 0.052 -5.010 -6.868 179 2HD1 LEU 24 2HD1 LEU 24 0.659 -6.287 -5.814 180 3HD1 LEU 24 1HD1 LEU 24 -0.852 -5.465 -5.423 181 1HD2 LEU 24 3HD2 LEU 24 2.996 -3.954 -4.658 182 2HD2 LEU 24 2HD2 LEU 24 2.363 -5.423 -3.912 183 3HD2 LEU 24 1HD2 LEU 24 2.667 -5.375 -5.648 184 H ILE 25 H ILE 25 0.118 -0.175 -5.421 185 HA ILE 25 HA ILE 25 -1.062 -0.117 -2.820 186 HB ILE 25 HB ILE 25 0.204 1.695 -4.756 187 1HG1 ILE 25 2HG1 ILE 25 1.354 2.463 -2.808 188 2HG1 ILE 25 1HG1 ILE 25 0.070 1.893 -1.742 189 1HG2 ILE 25 1HG2 ILE 25 -2.130 2.658 -3.142 190 2HG2 ILE 25 3HG2 ILE 25 -0.725 3.709 -3.300 191 3HG2 ILE 25 2HG2 ILE 25 -1.589 3.172 -4.739 192 1HD1 ILE 25 1HD1 ILE 25 1.161 -0.241 -3.418 193 2HD1 ILE 25 3HD1 ILE 25 2.381 0.493 -2.379 194 3HD1 ILE 25 2HD1 ILE 25 0.921 -0.199 -1.673 195 H ASN 26 H ASN 26 -2.346 0.712 -6.046 196 HA ASN 26 HA ASN 26 -4.831 1.846 -5.164 197 1HB ASN 26 2HB ASN 26 -3.710 1.817 -7.480 198 2HB ASN 26 1HB ASN 26 -4.367 0.190 -7.657 199 1HD2 ASN 26 2HD2 ASN 26 -6.795 3.363 -8.220 200 2HD2 ASN 26 1HD2 ASN 26 -5.124 3.536 -7.977 201 H THR 27 H THR 27 -3.959 -1.453 -6.151 202 HA THR 27 HA THR 27 -6.461 -2.726 -5.716 203 HB THR 27 HB THR 27 -3.569 -3.597 -5.520 204 HG1 THR 27 HG1 THR 27 -5.583 -4.095 -7.452 205 1HG2 THR 27 2HG2 THR 27 -6.110 -5.177 -5.189 206 2HG2 THR 27 1HG2 THR 27 -4.661 -5.937 -5.849 207 3HG2 THR 27 3HG2 THR 27 -4.633 -5.245 -4.227 208 H LEU 28 H LEU 28 -3.901 -1.800 -3.457 209 HA LEU 28 HA LEU 28 -4.879 -3.363 -1.214 210 1HB LEU 28 2HB LEU 28 -2.963 -1.098 -1.703 211 2HB LEU 28 1HB LEU 28 -3.403 -1.497 -0.041 212 HG LEU 28 HG LEU 28 -2.650 -3.761 -1.829 213 1HD1 LEU 28 1HD1 LEU 28 -0.902 -1.473 -1.235 214 2HD1 LEU 28 3HD1 LEU 28 -0.226 -3.021 -0.731 215 3HD1 LEU 28 2HD1 LEU 28 -0.694 -2.769 -2.412 216 1HD2 LEU 28 3HD2 LEU 28 -2.785 -3.083 1.030 217 2HD2 LEU 28 2HD2 LEU 28 -2.908 -4.656 0.244 218 3HD2 LEU 28 1HD2 LEU 28 -1.323 -3.962 0.585 219 H GLN 29 H GLN 29 -5.196 0.057 -2.176 220 HA GLN 29 HA GLN 29 -6.926 0.802 0.017 221 1HB GLN 29 2HB GLN 29 -5.411 2.124 -1.721 222 2HB GLN 29 1HB GLN 29 -6.898 2.146 -2.667 223 1HG GLN 29 2HG GLN 29 -7.646 2.809 -0.022 224 2HG GLN 29 1HG GLN 29 -6.200 3.754 -0.376 225 1HE2 GLN 29 2HE2 GLN 29 -9.244 5.580 -1.651 226 2HE2 GLN 29 1HE2 GLN 29 -8.811 4.961 -0.130 227 H GLN 30 H GLN 30 -7.365 -1.062 -2.789 228 HA GLN 30 HA GLN 30 -10.204 -0.407 -3.216 229 1HB GLN 30 2HB GLN 30 -8.172 -2.344 -4.342 230 2HB GLN 30 1HB GLN 30 -9.868 -2.408 -4.826 231 1HG GLN 30 2HG GLN 30 -8.925 0.318 -4.889 232 2HG GLN 30 1HG GLN 30 -7.867 -0.708 -5.855 233 1HE2 GLN 30 2HE2 GLN 30 -10.737 0.354 -8.019 234 2HE2 GLN 30 1HE2 GLN 30 -9.511 1.173 -7.177 235 H LYS 31 H LYS 31 -8.296 -3.231 -2.138 236 HA LYS 31 HA LYS 31 -10.608 -4.765 -1.299 237 1HB LYS 31 2HB LYS 31 -7.622 -4.849 -0.996 238 2HB LYS 31 1HB LYS 31 -8.602 -5.902 0.026 239 1HG LYS 31 2HG LYS 31 -9.747 -6.745 -2.039 240 2HG LYS 31 1HG LYS 31 -8.619 -5.794 -3.005 241 1HD LYS 31 2HD LYS 31 -6.726 -7.028 -2.026 242 2HD LYS 31 1HD LYS 31 -7.844 -7.970 -1.039 243 1HE LYS 31 2HE LYS 31 -8.916 -8.849 -3.100 244 2HE LYS 31 1HE LYS 31 -7.752 -7.934 -4.078 245 1HZ LYS 31 2HZ LYS 31 -5.982 -9.046 -2.698 246 2HZ LYS 31 1HZ LYS 31 -7.190 -10.101 -2.135 247 3HZ LYS 31 3HZ LYS 31 -6.804 -10.058 -3.787 248 H LEU 32 H LEU 32 -8.894 -2.096 -0.001 249 HA LEU 32 HA LEU 32 -9.544 -2.631 2.813 250 1HB LEU 32 2HB LEU 32 -7.546 -1.348 1.681 251 2HB LEU 32 1HB LEU 32 -8.681 0.000 1.627 252 HG LEU 32 HG LEU 32 -8.961 -0.048 4.022 253 1HD1 LEU 32 2HD1 LEU 32 -7.367 -2.608 3.817 254 2HD1 LEU 32 1HD1 LEU 32 -7.519 -1.725 5.336 255 3HD1 LEU 32 3HD1 LEU 32 -8.956 -2.369 4.545 256 1HD2 LEU 32 1HD2 LEU 32 -6.098 -0.250 3.072 257 2HD2 LEU 32 3HD2 LEU 32 -7.039 1.209 3.388 258 3HD2 LEU 32 2HD2 LEU 32 -6.506 0.195 4.729 259 H GLU 33 H GLU 33 -10.575 -0.293 0.290 260 HA GLU 33 HA GLU 33 -12.653 0.906 1.904 261 1HB GLU 33 2HB GLU 33 -11.656 2.028 -0.017 262 2HB GLU 33 1HB GLU 33 -12.156 0.716 -1.086 263 1HG GLU 33 2HG GLU 33 -14.136 1.728 -1.409 264 2HG GLU 33 1HG GLU 33 -14.470 1.622 0.320 265 H ALA 34 H ALA 34 -12.393 -2.065 0.188 266 HA ALA 34 HA ALA 34 -15.316 -2.444 -0.076 267 1HB ALA 34 2HB ALA 34 -12.814 -3.617 -1.083 268 2HB ALA 34 1HB ALA 34 -13.999 -4.838 -0.621 269 3HB ALA 34 3HB ALA 34 -14.416 -3.614 -1.820 270 H VAL 35 H VAL 35 -12.542 -3.510 1.818 271 HA VAL 35 HA VAL 35 -13.803 -5.530 3.398 272 HB VAL 35 HB VAL 35 -11.401 -3.790 3.414 273 1HG1 VAL 35 2HG1 VAL 35 -12.349 -3.422 5.712 274 2HG1 VAL 35 1HG1 VAL 35 -12.240 -5.163 5.976 275 3HG1 VAL 35 3HG1 VAL 35 -10.778 -4.219 5.704 276 1HG2 VAL 35 2HG2 VAL 35 -11.919 -6.702 4.065 277 2HG2 VAL 35 1HG2 VAL 35 -11.348 -6.063 2.523 278 3HG2 VAL 35 3HG2 VAL 35 -10.321 -5.966 3.954 279 H ALA 36 H ALA 36 -13.540 -1.999 3.724 280 HA ALA 36 HA ALA 36 -14.819 -1.767 6.288 281 1HB ALA 36 2HB ALA 36 -13.420 -0.106 4.828 282 2HB ALA 36 1HB ALA 36 -14.964 0.263 4.060 283 3HB ALA 36 3HB ALA 36 -14.749 0.544 5.787 284 H LYS 37 H LYS 37 -16.003 -2.091 2.982 285 HA LYS 37 HA LYS 37 -18.747 -1.335 3.593 286 1HB LYS 37 2HB LYS 37 -18.932 -1.495 1.318 287 2HB LYS 37 1HB LYS 37 -17.183 -1.686 1.346 288 1HG LYS 37 2HG LYS 37 -17.632 -4.208 1.625 289 2HG LYS 37 1HG LYS 37 -19.294 -3.840 1.161 290 1HD LYS 37 2HD LYS 37 -17.769 -2.483 -0.734 291 2HD LYS 37 1HD LYS 37 -16.901 -4.002 -0.509 292 1HE LYS 37 2HE LYS 37 -18.742 -5.303 -1.192 293 2HE LYS 37 1HE LYS 37 -19.900 -3.995 -0.878 294 1HZ LYS 37 3HZ LYS 37 -17.709 -3.696 -2.844 295 2HZ LYS 37 2HZ LYS 37 -19.208 -4.362 -3.286 296 3HZ LYS 37 1HZ LYS 37 -19.123 -2.771 -2.695 297 H ARG 38 H ARG 38 -16.887 -4.317 3.638 298 HA ARG 38 HA ARG 38 -19.165 -6.094 3.941 299 1HB ARG 38 2HB ARG 38 -16.282 -6.529 4.764 300 2HB ARG 38 1HB ARG 38 -17.452 -7.745 4.252 301 1HG ARG 38 2HG ARG 38 -17.445 -6.009 2.113 302 2HG ARG 38 1HG ARG 38 -15.756 -5.989 2.620 303 1HD ARG 38 2HD ARG 38 -15.974 -7.804 1.044 304 2HD ARG 38 1HD ARG 38 -15.887 -8.556 2.649 305 HE ARG 38 HE ARG 38 -18.590 -8.078 2.306 306 1HH1 ARG 38 1HH2 ARG 38 -16.429 -10.503 1.675 307 2HH1 ARG 38 2HH2 ARG 38 -17.359 -11.283 0.439 308 1HH2 ARG 38 2HH1 ARG 38 -19.670 -8.709 0.186 309 2HH2 ARG 38 1HH1 ARG 38 -19.195 -10.267 -0.404 310 H ILE 39 H ILE 39 -16.904 -4.444 6.111 311 HA ILE 39 HA ILE 39 -17.685 -5.643 8.577 312 HB ILE 39 HB ILE 39 -16.621 -2.933 7.738 313 1HG1 ILE 39 2HG1 ILE 39 -15.225 -5.062 7.564 314 2HG1 ILE 39 1HG1 ILE 39 -14.522 -3.772 8.539 315 1HG2 ILE 39 3HG2 ILE 39 -17.974 -2.817 9.882 316 2HG2 ILE 39 2HG2 ILE 39 -16.817 -3.941 10.588 317 3HG2 ILE 39 1HG2 ILE 39 -16.282 -2.351 10.043 318 1HD1 ILE 39 2HD1 ILE 39 -16.242 -5.869 9.835 319 2HD1 ILE 39 1HD1 ILE 39 -14.546 -6.196 9.495 320 3HD1 ILE 39 3HD1 ILE 39 -14.988 -4.863 10.557 321 H GLU 40 H GLU 40 -18.908 -2.798 6.824 322 HA GLU 40 HA GLU 40 -20.946 -2.045 8.689 323 1HB GLU 40 2HB GLU 40 -20.756 -1.800 5.664 324 2HB GLU 40 1HB GLU 40 -21.871 -0.885 6.678 325 1HG GLU 40 2HG GLU 40 -19.312 -0.562 7.837 326 2HG GLU 40 1HG GLU 40 -19.099 -0.338 6.100 327 H ALA 41 H ALA 41 -20.807 -4.368 6.027 328 HA ALA 41 HA ALA 41 -23.562 -5.051 5.843 329 1HB ALA 41 1HB ALA 41 -21.484 -5.740 4.446 330 2HB ALA 41 3HB ALA 41 -21.266 -7.008 5.651 331 3HB ALA 41 2HB ALA 41 -22.738 -6.957 4.681 332 H LEU 42 H LEU 42 -21.021 -6.106 8.062 333 HA LEU 42 HA LEU 42 -22.735 -8.041 9.440 334 1HB LEU 42 2HB LEU 42 -20.013 -6.802 9.944 335 2HB LEU 42 1HB LEU 42 -20.716 -8.006 11.011 336 HG LEU 42 HG LEU 42 -19.663 -9.513 9.679 337 1HD1 LEU 42 3HD1 LEU 42 -22.017 -9.844 8.973 338 2HD1 LEU 42 2HD1 LEU 42 -21.771 -8.698 7.654 339 3HD1 LEU 42 1HD1 LEU 42 -20.888 -10.225 7.674 340 1HD2 LEU 42 2HD2 LEU 42 -18.977 -7.134 8.353 341 2HD2 LEU 42 1HD2 LEU 42 -18.223 -8.716 8.162 342 3HD2 LEU 42 3HD2 LEU 42 -19.542 -8.235 7.096 343 H GLU 43 H GLU 43 -21.905 -4.649 9.704 344 HA GLU 43 HA GLU 43 -22.779 -4.270 12.444 345 1HB GLU 43 2HB GLU 43 -22.558 -2.385 10.074 346 2HB GLU 43 1HB GLU 43 -22.672 -1.892 11.762 347 1HG GLU 43 2HG GLU 43 -20.609 -3.771 11.727 348 2HG GLU 43 1HG GLU 43 -20.355 -2.805 10.275 349 H ASN 44 H ASN 44 -24.371 -4.721 9.435 350 HA ASN 44 HA ASN 44 -26.829 -3.288 10.048 351 1HB ASN 44 2HB ASN 44 -25.874 -5.327 8.045 352 2HB ASN 44 1HB ASN 44 -27.588 -4.915 8.127 353 1HD2 ASN 44 2HD2 ASN 44 -25.964 -2.558 5.721 354 2HD2 ASN 44 1HD2 ASN 44 -26.167 -4.242 5.793 355 H LYS 45 H LYS 45 -25.487 -6.400 10.835 356 HA LYS 45 HA LYS 45 -28.112 -7.250 12.019 357 1HB LYS 45 2HB LYS 45 -25.723 -8.909 11.141 358 2HB LYS 45 1HB LYS 45 -27.275 -9.536 11.695 359 1HG LYS 45 2HG LYS 45 -27.469 -9.624 9.351 360 2HG LYS 45 1HG LYS 45 -28.284 -8.114 9.766 361 1HD LYS 45 2HD LYS 45 -26.640 -6.816 8.858 362 2HD LYS 45 1HD LYS 45 -25.357 -7.938 9.303 363 1HE LYS 45 2HE LYS 45 -25.456 -8.131 6.939 364 2HE LYS 45 1HE LYS 45 -26.440 -9.501 7.493 365 1HZ LYS 45 1HZ LYS 45 -27.789 -6.929 7.276 366 2HZ LYS 45 3HZ LYS 45 -27.363 -7.668 5.809 367 3HZ LYS 45 2HZ LYS 45 -28.359 -8.489 6.914 368 H ILE 46 H ILE 46 -24.960 -6.165 12.714 369 HA ILE 46 HA ILE 46 -24.886 -7.537 15.367 370 HB ILE 46 HB ILE 46 -22.904 -5.949 13.706 371 1HG1 ILE 46 2HG1 ILE 46 -22.867 -8.148 12.896 372 2HG1 ILE 46 1HG1 ILE 46 -21.614 -8.197 14.127 373 1HG2 ILE 46 3HG2 ILE 46 -23.008 -6.294 16.569 374 2HG2 ILE 46 2HG2 ILE 46 -21.590 -7.113 15.914 375 3HG2 ILE 46 1HG2 ILE 46 -21.839 -5.395 15.603 376 1HD1 ILE 46 1HD1 ILE 46 -23.556 -8.917 15.725 377 2HD1 ILE 46 3HD1 ILE 46 -24.400 -9.327 14.232 378 3HD1 ILE 46 2HD1 ILE 46 -22.868 -10.110 14.623 379 H ILE 47 HN ILE 47 -25.535 -4.508 13.819 380 HA ILE 47 HA ILE 47 -24.959 -2.634 15.865 381 HB ILE 47 HB ILE 47 -25.626 -1.979 13.639 382 1HG1 ILE 47 2HG1 ILE 47 -28.101 -0.986 14.687 383 2HG1 ILE 47 1HG1 ILE 47 -26.920 -1.015 15.998 384 1HG2 ILE 47 3HG2 ILE 47 -27.402 -4.106 13.843 385 2HG2 ILE 47 2HG2 ILE 47 -28.459 -2.695 13.842 386 3HG2 ILE 47 1HG2 ILE 47 -27.332 -2.951 12.512 387 1HD1 ILE 47 3HD1 ILE 47 -25.602 -0.063 13.649 388 2HD1 ILE 47 2HD1 ILE 47 -27.104 0.841 13.835 389 3HD1 ILE 47 1HD1 ILE 47 -25.924 0.811 15.145 390 1H GLY 1 3H GLY 1 16.020 13.842 -30.755 391 2H GLY 1 2H GLY 1 15.115 12.412 -30.903 392 3H GLY 1 1H GLY 1 14.374 13.919 -31.158 393 1HA GLY 1 2HA GLY 1 13.708 13.794 -29.050 394 2HA GLY 1 1HA GLY 1 14.865 12.507 -28.705 395 H SER 2 H SER 2 15.175 15.928 -29.731 396 HA SER 2 HA SER 2 17.618 16.399 -28.332 397 1HB SER 2 2HB SER 2 16.539 17.726 -30.201 398 2HB SER 2 1HB SER 2 15.420 18.376 -29.007 399 HG SER 2 HG SER 2 18.219 18.698 -29.211 400 H HIS 3 H HIS 3 17.373 15.597 -26.153 401 HA HIS 3 HA HIS 3 15.234 16.555 -24.415 402 1HB HIS 3 2HB HIS 3 17.351 14.608 -24.452 403 2HB HIS 3 1HB HIS 3 17.460 15.539 -22.958 404 HD1 HIS 3 HD1 HIS 3 15.102 13.313 -24.887 405 HD2 HIS 3 HD2 HIS 3 15.348 15.122 -21.141 406 HE1 HIS 3 HE1 HIS 3 13.231 12.329 -23.492 407 H MET 4 H MET 4 15.840 17.733 -22.323 408 HA MET 4 HA MET 4 17.798 19.915 -22.950 409 1HB MET 4 2HB MET 4 15.402 19.865 -21.085 410 2HB MET 4 1HB MET 4 16.354 21.285 -21.524 411 1HG MET 4 2HG MET 4 15.574 20.048 -23.953 412 2HG MET 4 1HG MET 4 14.137 20.109 -22.934 413 1HE MET 4 3HE MET 4 16.630 21.470 -24.936 414 2HE MET 4 2HE MET 4 15.414 22.416 -25.792 415 3HE MET 4 1HE MET 4 16.655 23.237 -24.848 416 H GLU 5 H GLU 5 18.233 20.999 -20.517 417 HA GLU 5 HA GLU 5 19.565 18.792 -18.997 418 1HB GLU 5 2HB GLU 5 20.233 21.486 -19.889 419 2HB GLU 5 1HB GLU 5 20.522 21.289 -18.160 420 1HG GLU 5 2HG GLU 5 21.863 19.277 -18.595 421 2HG GLU 5 1HG GLU 5 21.559 19.437 -20.326 422 H GLU 6 H GLU 6 16.803 19.156 -18.483 423 HA GLU 6 HA GLU 6 16.869 20.438 -15.770 424 1HB GLU 6 2HB GLU 6 14.450 20.985 -16.273 425 2HB GLU 6 1HB GLU 6 15.607 21.804 -17.323 426 1HG GLU 6 2HG GLU 6 14.754 20.806 -19.151 427 2HG GLU 6 1HG GLU 6 14.909 19.212 -18.412 428 H ASP 7 H ASP 7 16.932 18.644 -14.422 429 HA ASP 7 HA ASP 7 16.312 16.558 -13.484 430 1HB ASP 7 2HB ASP 7 14.355 18.081 -13.128 431 2HB ASP 7 1HB ASP 7 13.656 17.475 -14.629 432 HA PRO 8 HA PRO 8 16.291 14.487 -17.622 433 1HB PRO 8 2HB PRO 8 18.622 13.103 -17.255 434 2HB PRO 8 1HB PRO 8 18.569 14.755 -17.900 435 1HG PRO 8 2HG PRO 8 19.280 13.811 -15.180 436 2HG PRO 8 1HG PRO 8 19.917 15.174 -16.107 437 1HD PRO 8 2HD PRO 8 18.073 15.380 -14.059 438 2HD PRO 8 1HD PRO 8 18.328 16.598 -15.328 439 H CYS 9 H CYS 9 17.792 12.770 -14.853 440 HA CYS 9 HA CYS 9 16.056 10.425 -15.383 441 1HB CYS 9 2HB CYS 9 18.564 11.065 -13.860 442 2HB CYS 9 1HB CYS 9 17.641 9.628 -13.404 443 H GLU 10 H GLU 10 14.860 12.884 -14.256 444 HA GLU 10 HA GLU 10 13.580 13.601 -12.385 445 1HB GLU 10 2HB GLU 10 13.162 10.635 -12.773 446 2HB GLU 10 1HB GLU 10 12.231 11.536 -11.575 447 1HG GLU 10 2HG GLU 10 10.927 12.477 -13.159 448 2HG GLU 10 1HG GLU 10 12.321 12.915 -14.145 449 H CYS 11 H CYS 11 16.322 13.215 -11.636 450 HA CYS 11 HA CYS 11 16.972 11.521 -9.564 451 1HB CYS 11 2HB CYS 11 17.562 14.364 -10.253 452 2HB CYS 11 1HB CYS 11 18.103 13.784 -8.675 453 H LYS 12 H LYS 12 14.730 14.233 -9.420 454 HA LYS 12 HA LYS 12 14.190 13.542 -6.547 455 1HB LYS 12 2HB LYS 12 14.059 16.177 -8.050 456 2HB LYS 12 1HB LYS 12 13.515 15.965 -6.386 457 1HG LYS 12 2HG LYS 12 15.653 16.528 -5.855 458 2HG LYS 12 1HG LYS 12 16.009 14.851 -6.272 459 1HD LYS 12 2HD LYS 12 16.763 15.423 -8.435 460 2HD LYS 12 1HD LYS 12 15.986 17.006 -8.381 461 1HE LYS 12 2HE LYS 12 17.707 17.055 -6.187 462 2HE LYS 12 1HE LYS 12 18.646 16.236 -7.451 463 1HZ LYS 12 3HZ LYS 12 17.778 18.017 -8.991 464 2HZ LYS 12 2HZ LYS 12 17.278 18.862 -7.604 465 3HZ LYS 12 1HZ LYS 12 18.926 18.525 -7.851 466 H SER 13 H SER 13 12.939 13.641 -9.714 467 HA SER 13 HA SER 13 10.141 14.173 -9.039 468 1HB SER 13 2HB SER 13 11.803 13.390 -11.388 469 2HB SER 13 1HB SER 13 10.085 13.026 -11.477 470 HG SER 13 HG SER 13 11.414 15.486 -11.321 471 H ILE 14 H ILE 14 12.213 11.363 -9.289 472 HA ILE 14 HA ILE 14 10.058 9.378 -9.260 473 HB ILE 14 HB ILE 14 13.071 9.401 -8.960 474 1HG1 ILE 14 2HG1 ILE 14 11.506 8.052 -11.130 475 2HG1 ILE 14 1HG1 ILE 14 11.702 9.801 -11.173 476 1HG2 ILE 14 2HG2 ILE 14 12.080 7.505 -7.655 477 2HG2 ILE 14 1HG2 ILE 14 11.289 6.951 -9.131 478 3HG2 ILE 14 3HG2 ILE 14 13.050 6.967 -9.026 479 1HD1 ILE 14 3HD1 ILE 14 14.178 9.475 -10.928 480 2HD1 ILE 14 2HD1 ILE 14 13.919 7.737 -11.077 481 3HD1 ILE 14 1HD1 ILE 14 13.527 8.806 -12.425 482 H VAL 15 H VAL 15 12.346 10.800 -6.982 483 HA VAL 15 HA VAL 15 11.463 9.140 -4.740 484 HB VAL 15 HB VAL 15 13.011 11.709 -4.470 485 1HG1 VAL 15 2HG1 VAL 15 13.284 8.910 -3.327 486 2HG1 VAL 15 1HG1 VAL 15 14.318 10.276 -2.910 487 3HG1 VAL 15 3HG1 VAL 15 12.604 10.310 -2.496 488 1HG2 VAL 15 3HG2 VAL 15 13.915 9.203 -5.910 489 2HG2 VAL 15 2HG2 VAL 15 14.083 10.880 -6.432 490 3HG2 VAL 15 1HG2 VAL 15 15.068 10.270 -5.108 491 H LYS 16 H LYS 16 10.515 12.040 -6.311 492 HA LYS 16 HA LYS 16 9.099 13.270 -4.073 493 1HB LYS 16 2HB LYS 16 9.900 14.537 -6.032 494 2HB LYS 16 1HB LYS 16 8.900 13.551 -7.099 495 1HG LYS 16 2HG LYS 16 7.575 14.929 -4.813 496 2HG LYS 16 1HG LYS 16 8.073 15.912 -6.188 497 1HD LYS 16 2HD LYS 16 6.896 14.098 -7.631 498 2HD LYS 16 1HD LYS 16 6.104 13.634 -6.124 499 1HE LYS 16 2HE LYS 16 6.120 16.548 -6.753 500 2HE LYS 16 1HE LYS 16 5.067 15.522 -7.748 501 1HZ LYS 16 2HZ LYS 16 5.184 15.391 -4.783 502 2HZ LYS 16 1HZ LYS 16 4.019 16.286 -5.637 503 3HZ LYS 16 3HZ LYS 16 4.080 14.598 -5.801 504 H PHE 17 H PHE 17 8.364 11.172 -6.832 505 HA PHE 17 HA PHE 17 5.538 10.893 -6.369 506 1HB PHE 17 2HB PHE 17 6.232 10.124 -8.455 507 2HB PHE 17 1HB PHE 17 7.753 9.497 -7.827 508 HD1 PHE 17 HD1 PHE 17 7.815 7.325 -6.619 509 HD2 PHE 17 HD2 PHE 17 4.241 8.756 -8.527 510 HE1 PHE 17 HE1 PHE 17 6.841 5.049 -6.497 511 HE2 PHE 17 HE2 PHE 17 3.265 6.478 -8.404 512 HZ PHE 17 HZ PHE 17 4.566 4.623 -7.386 513 H GLN 18 H GLN 18 8.439 9.383 -5.056 514 HA GLN 18 HA GLN 18 7.235 7.161 -3.717 515 1HB GLN 18 2HB GLN 18 9.702 8.851 -3.371 516 2HB GLN 18 1HB GLN 18 9.336 7.571 -2.213 517 1HG GLN 18 2HG GLN 18 9.182 5.948 -4.084 518 2HG GLN 18 1HG GLN 18 9.625 7.232 -5.210 519 1HE2 GLN 18 2HE2 GLN 18 12.748 5.426 -4.262 520 2HE2 GLN 18 1HE2 GLN 18 11.300 4.988 -5.024 521 H THR 19 H THR 19 7.802 10.514 -2.666 522 HA THR 19 HA THR 19 6.962 10.292 0.034 523 HB THR 19 HB THR 19 7.883 12.242 -1.575 524 HG1 THR 19 HG1 THR 19 6.214 12.781 0.646 525 1HG2 THR 19 3HG2 THR 19 5.557 12.327 -2.680 526 2HG2 THR 19 2HG2 THR 19 5.019 13.107 -1.194 527 3HG2 THR 19 1HG2 THR 19 6.268 13.862 -2.183 528 H LYS 20 H LYS 20 5.094 10.528 -2.957 529 HA LYS 20 HA LYS 20 2.502 10.903 -1.729 530 1HB LYS 20 2HB LYS 20 3.541 9.891 -4.387 531 2HB LYS 20 1HB LYS 20 1.811 9.946 -4.042 532 1HG LYS 20 2HG LYS 20 2.466 12.434 -3.260 533 2HG LYS 20 1HG LYS 20 3.733 12.184 -4.462 534 1HD LYS 20 2HD LYS 20 2.221 12.691 -6.054 535 2HD LYS 20 1HD LYS 20 1.379 11.196 -5.645 536 1HE LYS 20 2HE LYS 20 -0.371 12.450 -4.939 537 2HE LYS 20 1HE LYS 20 0.665 13.083 -3.645 538 1HZ LYS 20 3HZ LYS 20 0.934 14.117 -6.390 539 2HZ LYS 20 2HZ LYS 20 -0.296 14.718 -5.384 540 3HZ LYS 20 1HZ LYS 20 1.331 14.870 -4.923 541 H VAL 21 H VAL 21 4.431 8.112 -2.708 542 HA VAL 21 HA VAL 21 2.431 6.111 -2.047 543 HB VAL 21 HB VAL 21 5.334 6.288 -2.765 544 1HG1 VAL 21 1HG1 VAL 21 3.978 3.878 -1.545 545 2HG1 VAL 21 3HG1 VAL 21 5.409 3.744 -2.568 546 3HG1 VAL 21 2HG1 VAL 21 5.491 4.638 -1.048 547 1HG2 VAL 21 3HG2 VAL 21 2.883 4.881 -3.840 548 2HG2 VAL 21 2HG2 VAL 21 3.784 6.200 -4.587 549 3HG2 VAL 21 1HG2 VAL 21 4.501 4.591 -4.477 550 H GLU 22 H GLU 22 4.656 8.039 -0.260 551 HA GLU 22 HA GLU 22 5.034 6.243 1.999 552 1HB GLU 22 2HB GLU 22 5.601 9.070 1.214 553 2HB GLU 22 1HB GLU 22 5.638 8.694 2.934 554 1HG GLU 22 2HG GLU 22 7.286 6.941 2.567 555 2HG GLU 22 1HG GLU 22 7.176 7.160 0.821 556 H GLU 23 H GLU 23 3.032 9.144 1.396 557 HA GLU 23 HA GLU 23 1.616 8.933 3.937 558 1HB GLU 23 2HB GLU 23 0.194 10.701 2.816 559 2HB GLU 23 1HB GLU 23 1.920 11.070 2.822 560 1HG GLU 23 2HG GLU 23 2.125 10.803 0.557 561 2HG GLU 23 1HG GLU 23 0.922 9.515 0.495 562 H LEU 24 H LEU 24 1.180 7.668 0.696 563 HA LEU 24 HA LEU 24 -1.627 6.965 1.005 564 1HB LEU 24 2HB LEU 24 -0.066 7.314 -1.091 565 2HB LEU 24 1HB LEU 24 0.309 5.607 -0.851 566 HG LEU 24 HG LEU 24 -2.041 5.014 -1.023 567 1HD1 LEU 24 3HD1 LEU 24 -2.362 7.900 -0.588 568 2HD1 LEU 24 2HD1 LEU 24 -3.374 7.279 -1.891 569 3HD1 LEU 24 1HD1 LEU 24 -3.495 6.584 -0.275 570 1HD2 LEU 24 3HD2 LEU 24 -0.542 5.624 -3.102 571 2HD2 LEU 24 2HD2 LEU 24 -2.265 5.316 -3.325 572 3HD2 LEU 24 1HD2 LEU 24 -1.666 6.974 -3.269 573 H ILE 25 H ILE 25 1.465 5.200 1.278 574 HA ILE 25 HA ILE 25 0.345 2.637 1.878 575 HB ILE 25 HB ILE 25 2.932 4.041 1.931 576 1HG1 ILE 25 2HG1 ILE 25 3.674 2.065 0.834 577 2HG1 ILE 25 1HG1 ILE 25 2.377 1.097 1.530 578 1HG2 ILE 25 2HG2 ILE 25 2.501 1.713 3.830 579 2HG2 ILE 25 1HG2 ILE 25 4.059 2.423 3.416 580 3HG2 ILE 25 3HG2 ILE 25 2.868 3.368 4.308 581 1HD1 ILE 25 1HD1 ILE 25 1.403 3.391 -0.021 582 2HD1 ILE 25 3HD1 ILE 25 2.327 2.238 -0.983 583 3HD1 ILE 25 2HD1 ILE 25 0.909 1.700 -0.085 584 H ASN 26 H ASN 26 1.177 5.438 3.923 585 HA ASN 26 HA ASN 26 0.756 4.162 6.461 586 1HB ASN 26 2HB ASN 26 1.793 6.449 5.825 587 2HB ASN 26 1HB ASN 26 0.133 7.042 5.788 588 1HD2 ASN 26 2HD2 ASN 26 1.959 6.626 9.337 589 2HD2 ASN 26 1HD2 ASN 26 2.783 6.532 7.856 590 H THR 27 H THR 27 -1.400 6.065 4.375 591 HA THR 27 HA THR 27 -3.771 5.931 5.940 592 HB THR 27 HB THR 27 -3.179 6.083 2.973 593 HG1 THR 27 HG1 THR 27 -4.117 8.013 4.826 594 1HG2 THR 27 2HG2 THR 27 -5.819 6.237 4.431 595 2HG2 THR 27 1HG2 THR 27 -5.577 6.972 2.846 596 3HG2 THR 27 3HG2 THR 27 -5.397 5.229 3.046 597 H LEU 28 H LEU 28 -2.287 3.588 3.748 598 HA LEU 28 HA LEU 28 -4.592 1.827 3.565 599 1HB LEU 28 2HB LEU 28 -1.639 1.713 2.974 600 2HB LEU 28 1HB LEU 28 -2.602 0.238 2.882 601 HG LEU 28 HG LEU 28 -3.702 2.653 1.529 602 1HD1 LEU 28 1HD1 LEU 28 -1.106 1.378 0.860 603 2HD1 LEU 28 3HD1 LEU 28 -2.218 1.598 -0.490 604 3HD1 LEU 28 2HD1 LEU 28 -1.703 2.989 0.463 605 1HD2 LEU 28 3HD2 LEU 28 -3.835 -0.298 1.395 606 2HD2 LEU 28 2HD2 LEU 28 -5.080 0.902 1.043 607 3HD2 LEU 28 1HD2 LEU 28 -3.860 0.514 -0.170 608 H GLN 29 H GLN 29 -1.601 1.816 5.508 609 HA GLN 29 HA GLN 29 -2.260 -0.562 7.013 610 1HB GLN 29 2HB GLN 29 -0.031 0.793 6.528 611 2HB GLN 29 1HB GLN 29 -0.490 1.659 7.994 612 1HG GLN 29 2HG GLN 29 -0.852 -1.126 8.493 613 2HG GLN 29 1HG GLN 29 0.747 -0.915 7.777 614 1HE2 GLN 29 2HE2 GLN 29 1.040 -0.346 11.468 615 2HE2 GLN 29 1HE2 GLN 29 0.545 -1.650 10.501 616 H GLN 30 H GLN 30 -3.420 2.630 7.038 617 HA GLN 30 HA GLN 30 -4.091 2.748 9.902 618 1HB GLN 30 2HB GLN 30 -4.532 4.441 7.436 619 2HB GLN 30 1HB GLN 30 -5.276 4.860 8.979 620 1HG GLN 30 2HG GLN 30 -2.502 4.208 9.385 621 2HG GLN 30 1HG GLN 30 -2.644 5.443 8.136 622 1HE2 GLN 30 2HE2 GLN 30 -2.618 7.132 11.488 623 2HE2 GLN 30 1HE2 GLN 30 -1.542 6.102 10.673 624 H LYS 31 H LYS 31 -5.853 2.580 6.797 625 HA LYS 31 HA LYS 31 -8.443 2.134 8.010 626 1HB LYS 31 2HB LYS 31 -7.169 1.925 5.296 627 2HB LYS 31 1HB LYS 31 -8.784 1.255 5.533 628 1HG LYS 31 2HG LYS 31 -9.486 3.468 6.500 629 2HG LYS 31 1HG LYS 31 -7.911 4.112 6.037 630 1HD LYS 31 2HD LYS 31 -8.348 3.667 3.695 631 2HD LYS 31 1HD LYS 31 -9.846 2.823 4.091 632 1HE LYS 31 2HE LYS 31 -10.795 4.916 5.008 633 2HE LYS 31 1HE LYS 31 -9.293 5.771 4.602 634 1HZ LYS 31 2HZ LYS 31 -9.587 4.978 2.289 635 2HZ LYS 31 1HZ LYS 31 -11.115 4.370 2.719 636 3HZ LYS 31 3HZ LYS 31 -10.816 6.038 2.793 637 H LEU 32 H LEU 32 -5.682 0.171 7.416 638 HA LEU 32 HA LEU 32 -7.095 -2.397 7.327 639 1HB LEU 32 2HB LEU 32 -4.789 -1.588 6.340 640 2HB LEU 32 1HB LEU 32 -4.179 -1.971 7.948 641 HG LEU 32 HG LEU 32 -4.918 -4.264 7.754 642 1HD1 LEU 32 2HD1 LEU 32 -6.257 -3.246 5.244 643 2HD1 LEU 32 1HD1 LEU 32 -5.921 -4.961 5.480 644 3HD1 LEU 32 3HD1 LEU 32 -6.987 -4.108 6.597 645 1HD2 LEU 32 1HD2 LEU 32 -3.464 -3.169 5.339 646 2HD2 LEU 32 3HD2 LEU 32 -2.775 -3.952 6.762 647 3HD2 LEU 32 2HD2 LEU 32 -3.686 -4.900 5.587 648 H GLU 33 H GLU 33 -5.029 -0.645 9.674 649 HA GLU 33 HA GLU 33 -5.344 -2.584 11.796 650 1HB GLU 33 2HB GLU 33 -3.481 -1.011 11.697 651 2HB GLU 33 1HB GLU 33 -4.592 0.360 11.718 652 1HG GLU 33 2HG GLU 33 -4.549 0.349 13.965 653 2HG GLU 33 1HG GLU 33 -5.218 -1.283 13.961 654 H ALA 34 H ALA 34 -7.358 -0.100 10.520 655 HA ALA 34 HA ALA 34 -8.989 0.160 12.973 656 1HB ALA 34 2HB ALA 34 -8.786 1.421 10.256 657 2HB ALA 34 1HB ALA 34 -10.322 1.549 11.115 658 3HB ALA 34 3HB ALA 34 -8.849 2.197 11.838 659 H VAL 35 H VAL 35 -9.037 -1.257 9.748 660 HA VAL 35 HA VAL 35 -11.730 -2.222 9.714 661 HB VAL 35 HB VAL 35 -9.146 -2.617 8.328 662 1HG1 VAL 35 2HG1 VAL 35 -9.712 -4.969 8.939 663 2HG1 VAL 35 1HG1 VAL 35 -11.268 -4.772 8.132 664 3HG1 VAL 35 3HG1 VAL 35 -9.774 -4.683 7.200 665 1HG2 VAL 35 2HG2 VAL 35 -12.031 -2.536 7.399 666 2HG2 VAL 35 1HG2 VAL 35 -10.934 -1.157 7.480 667 3HG2 VAL 35 3HG2 VAL 35 -10.616 -2.471 6.348 668 H ALA 36 H ALA 36 -8.682 -3.533 10.994 669 HA ALA 36 HA ALA 36 -9.713 -6.115 11.759 670 1HB ALA 36 1HB ALA 36 -7.381 -4.358 12.550 671 2HB ALA 36 3HB ALA 36 -7.642 -5.925 13.318 672 3HB ALA 36 2HB ALA 36 -7.360 -5.831 11.580 673 H LYS 37 H LYS 37 -9.727 -2.916 13.243 674 HA LYS 37 HA LYS 37 -10.518 -3.836 15.890 675 1HB LYS 37 2HB LYS 37 -10.142 -1.639 16.362 676 2HB LYS 37 1HB LYS 37 -9.582 -1.505 14.700 677 1HG LYS 37 2HG LYS 37 -12.040 -1.064 14.079 678 2HG LYS 37 1HG LYS 37 -12.315 -0.835 15.806 679 1HD LYS 37 2HD LYS 37 -10.086 0.704 15.413 680 2HD LYS 37 1HD LYS 37 -10.926 0.910 13.875 681 1HE LYS 37 2HE LYS 37 -12.816 1.873 14.886 682 2HE LYS 37 1HE LYS 37 -12.439 1.174 16.474 683 1HZ LYS 37 3HZ LYS 37 -10.676 3.115 15.086 684 2HZ LYS 37 2HZ LYS 37 -11.846 3.578 16.227 685 3HZ LYS 37 1HZ LYS 37 -10.556 2.574 16.688 686 H ARG 38 H ARG 38 -12.190 -2.903 12.936 687 HA ARG 38 HA ARG 38 -14.847 -2.764 14.088 688 1HB ARG 38 2HB ARG 38 -14.041 -3.380 11.231 689 2HB ARG 38 1HB ARG 38 -15.507 -2.571 11.782 690 1HG ARG 38 2HG ARG 38 -13.493 -1.015 12.875 691 2HG ARG 38 1HG ARG 38 -12.842 -1.459 11.297 692 1HD ARG 38 2HD ARG 38 -14.124 0.579 10.999 693 2HD ARG 38 1HD ARG 38 -15.086 -0.741 10.303 694 HE ARG 38 HE ARG 38 -15.867 -0.677 12.966 695 1HH1 ARG 38 1HH2 ARG 38 -16.919 0.579 10.120 696 2HH1 ARG 38 2HH2 ARG 38 -17.701 1.977 10.779 697 1HH2 ARG 38 2HH1 ARG 38 -16.351 1.573 13.946 698 2HH2 ARG 38 1HH1 ARG 38 -17.381 2.538 12.942 699 H ILE 39 H ILE 39 -12.923 -5.248 12.443 700 HA ILE 39 HA ILE 39 -14.882 -7.297 12.244 701 HB ILE 39 HB ILE 39 -11.876 -7.248 12.623 702 1HG1 ILE 39 2HG1 ILE 39 -13.010 -6.407 10.489 703 2HG1 ILE 39 1HG1 ILE 39 -11.802 -7.671 10.269 704 1HG2 ILE 39 3HG2 ILE 39 -12.871 -9.376 13.517 705 2HG2 ILE 39 2HG2 ILE 39 -13.563 -9.666 11.922 706 3HG2 ILE 39 1HG2 ILE 39 -11.813 -9.617 12.127 707 1HD1 ILE 39 2HD1 ILE 39 -14.711 -8.368 10.631 708 2HD1 ILE 39 1HD1 ILE 39 -14.072 -7.941 9.043 709 3HD1 ILE 39 3HD1 ILE 39 -13.429 -9.337 9.908 710 H GLU 40 H GLU 40 -12.614 -6.470 14.854 711 HA GLU 40 HA GLU 40 -13.381 -8.543 16.675 712 1HB GLU 40 2HB GLU 40 -12.312 -5.729 17.103 713 2HB GLU 40 1HB GLU 40 -12.321 -6.996 18.332 714 1HG GLU 40 2HG GLU 40 -11.166 -8.177 16.056 715 2HG GLU 40 1HG GLU 40 -10.440 -6.573 16.170 716 H ALA 41 H ALA 41 -14.658 -5.327 15.952 717 HA ALA 41 HA ALA 41 -16.477 -5.055 18.133 718 1HB ALA 41 1HB ALA 41 -15.772 -3.404 16.282 719 2HB ALA 41 3HB ALA 41 -16.969 -4.206 15.267 720 3HB ALA 41 2HB ALA 41 -17.475 -3.379 16.740 721 H LEU 42 H LEU 42 -16.705 -6.779 15.049 722 HA LEU 42 HA LEU 42 -19.484 -7.602 15.466 723 1HB LEU 42 2HB LEU 42 -17.263 -8.397 13.559 724 2HB LEU 42 1HB LEU 42 -18.890 -9.050 13.461 725 HG LEU 42 HG LEU 42 -19.296 -7.309 12.067 726 1HD1 LEU 42 3HD1 LEU 42 -20.504 -6.567 14.105 727 2HD1 LEU 42 2HD1 LEU 42 -19.078 -5.654 14.600 728 3HD1 LEU 42 1HD1 LEU 42 -19.950 -5.202 13.136 729 1HD2 LEU 42 2HD2 LEU 42 -16.620 -6.746 12.790 730 2HD2 LEU 42 1HD2 LEU 42 -17.509 -6.140 11.391 731 3HD2 LEU 42 3HD2 LEU 42 -17.504 -5.225 12.900 732 H GLU 43 H GLU 43 -16.279 -8.807 16.213 733 HA GLU 43 HA GLU 43 -17.019 -11.569 16.699 734 1HB GLU 43 2HB GLU 43 -14.750 -9.806 17.684 735 2HB GLU 43 1HB GLU 43 -14.780 -11.566 17.805 736 1HG GLU 43 2HG GLU 43 -15.418 -11.040 15.141 737 2HG GLU 43 1HG GLU 43 -14.136 -9.892 15.523 738 H ASN 44 H ASN 44 -17.438 -8.615 18.389 739 HA ASN 44 HA ASN 44 -17.552 -9.694 21.093 740 1HB ASN 44 2HB ASN 44 -18.359 -7.163 19.667 741 2HB ASN 44 1HB ASN 44 -18.820 -7.412 21.351 742 1HD2 ASN 44 2HD2 ASN 44 -15.462 -5.734 21.271 743 2HD2 ASN 44 1HD2 ASN 44 -16.999 -5.335 20.670 744 H LYS 45 H LYS 45 -19.709 -9.538 18.376 745 HA LYS 45 HA LYS 45 -21.982 -10.486 20.098 746 1HB LYS 45 2HB LYS 45 -22.002 -9.087 17.400 747 2HB LYS 45 1HB LYS 45 -23.423 -9.508 18.357 748 1HG LYS 45 2HG LYS 45 -23.052 -7.240 18.882 749 2HG LYS 45 1HG LYS 45 -22.319 -8.105 20.233 750 1HD LYS 45 2HD LYS 45 -20.207 -7.508 19.640 751 2HD LYS 45 1HD LYS 45 -20.540 -7.655 17.915 752 1HE LYS 45 2HE LYS 45 -20.303 -5.333 18.119 753 2HE LYS 45 1HE LYS 45 -22.051 -5.502 18.380 754 1HZ LYS 45 1HZ LYS 45 -20.272 -5.884 20.672 755 2HZ LYS 45 3HZ LYS 45 -20.527 -4.295 20.137 756 3HZ LYS 45 2HZ LYS 45 -21.848 -5.250 20.618 757 H ILE 46 H ILE 46 -19.718 -11.378 17.722 758 HA ILE 46 HA ILE 46 -21.482 -13.520 16.614 759 HB ILE 46 HB ILE 46 -18.809 -12.319 15.828 760 1HG1 ILE 46 2HG1 ILE 46 -20.471 -10.906 14.969 761 2HG1 ILE 46 1HG1 ILE 46 -20.230 -12.029 13.638 762 1HG2 ILE 46 3HG2 ILE 46 -19.820 -14.964 15.320 763 2HG2 ILE 46 2HG2 ILE 46 -19.758 -14.060 13.806 764 3HG2 ILE 46 1HG2 ILE 46 -18.303 -14.241 14.784 765 1HD1 ILE 46 1HD1 ILE 46 -22.124 -13.418 14.771 766 2HD1 ILE 46 3HD1 ILE 46 -22.502 -11.912 15.608 767 3HD1 ILE 46 2HD1 ILE 46 -22.565 -11.981 13.847 768 H ILE 47 HN ILE 47 -18.818 -12.919 18.750 769 HA ILE 47 HA ILE 47 -17.427 -15.371 18.750 770 HB ILE 47 HB ILE 47 -16.741 -13.423 20.027 771 1HG1 ILE 47 2HG1 ILE 47 -17.145 -14.815 22.454 772 2HG1 ILE 47 1HG1 ILE 47 -17.055 -16.048 21.196 773 1HG2 ILE 47 3HG2 ILE 47 -19.358 -13.035 20.553 774 2HG2 ILE 47 2HG2 ILE 47 -18.868 -13.774 22.078 775 3HG2 ILE 47 1HG2 ILE 47 -18.077 -12.301 21.518 776 1HD1 ILE 47 3HD1 ILE 47 -15.036 -14.241 20.521 777 2HD1 ILE 47 2HD1 ILE 47 -14.938 -14.361 22.277 778 3HD1 ILE 47 1HD1 ILE 47 -14.813 -15.814 21.287 779 1H GLY 1 3H GLY 1 26.898 25.815 -2.405 780 2H GLY 1 2H GLY 1 25.353 26.337 -1.929 781 3H GLY 1 1H GLY 1 26.535 25.990 -0.758 782 1HA GLY 1 2HA GLY 1 25.431 24.043 -0.621 783 2HA GLY 1 1HA GLY 1 24.825 24.185 -2.274 784 H SER 2 H SER 2 28.134 24.196 -0.899 785 HA SER 2 HA SER 2 29.335 22.812 -3.079 786 1HB SER 2 2HB SER 2 30.438 24.151 -1.253 787 2HB SER 2 1HB SER 2 30.124 22.817 -0.147 788 HG SER 2 HG SER 2 31.854 22.968 -2.355 789 H HIS 3 H HIS 3 28.060 20.948 -3.615 790 HA HIS 3 HA HIS 3 27.398 18.924 -1.610 791 1HB HIS 3 2HB HIS 3 26.765 19.637 -4.320 792 2HB HIS 3 1HB HIS 3 27.251 17.942 -4.284 793 HD1 HIS 3 HD1 HIS 3 24.753 20.322 -2.723 794 HD2 HIS 3 HD2 HIS 3 25.403 16.217 -3.056 795 HE1 HIS 3 HE1 HIS 3 22.684 19.191 -1.797 796 H MET 4 H MET 4 28.217 16.675 -1.775 797 HA MET 4 HA MET 4 31.121 16.623 -2.478 798 1HB MET 4 2HB MET 4 29.426 14.756 -0.786 799 2HB MET 4 1HB MET 4 31.189 14.783 -0.869 800 1HG MET 4 2HG MET 4 30.293 17.432 -0.275 801 2HG MET 4 1HG MET 4 29.485 16.323 0.831 802 1HE MET 4 3HE MET 4 32.246 17.982 -0.523 803 2HE MET 4 2HE MET 4 32.739 18.517 1.081 804 3HE MET 4 1HE MET 4 33.761 17.402 0.180 805 H GLU 5 H GLU 5 31.610 13.998 -2.862 806 HA GLU 5 HA GLU 5 29.979 13.324 -5.282 807 1HB GLU 5 2HB GLU 5 32.810 13.348 -4.551 808 2HB GLU 5 1HB GLU 5 32.324 11.806 -5.257 809 1HG GLU 5 2HG GLU 5 31.369 12.968 -7.196 810 2HG GLU 5 1HG GLU 5 31.789 14.528 -6.486 811 H GLU 6 H GLU 6 28.876 12.580 -2.789 812 HA GLU 6 HA GLU 6 29.320 9.609 -2.797 813 1HB GLU 6 2HB GLU 6 28.742 9.805 -0.336 814 2HB GLU 6 1HB GLU 6 30.254 10.592 -0.794 815 1HG GLU 6 2HG GLU 6 29.475 12.606 -0.149 816 2HG GLU 6 1HG GLU 6 28.021 12.410 -1.128 817 H ASP 7 H ASP 7 27.496 8.795 -3.799 818 HA ASP 7 HA ASP 7 25.207 8.516 -4.351 819 1HB ASP 7 2HB ASP 7 25.501 7.716 -1.972 820 2HB ASP 7 1HB ASP 7 24.961 9.307 -1.431 821 HA PRO 8 HA PRO 8 24.482 13.074 -4.599 822 1HB PRO 8 2HB PRO 8 24.301 13.185 -7.327 823 2HB PRO 8 1HB PRO 8 25.836 13.322 -6.450 824 1HG PRO 8 2HG PRO 8 24.705 11.016 -7.928 825 2HG PRO 8 1HG PRO 8 26.389 11.520 -7.731 826 1HD PRO 8 2HD PRO 8 25.180 9.456 -6.343 827 2HD PRO 8 1HD PRO 8 26.649 10.310 -5.827 828 H CYS 9 H CYS 9 23.006 11.033 -7.160 829 HA CYS 9 HA CYS 9 20.353 12.169 -6.485 830 1HB CYS 9 2HB CYS 9 21.602 10.596 -8.718 831 2HB CYS 9 1HB CYS 9 19.843 10.619 -8.562 832 H GLU 10 H GLU 10 21.602 10.307 -4.569 833 HA GLU 10 HA GLU 10 21.138 8.267 -3.441 834 1HB GLU 10 2HB GLU 10 18.533 9.510 -4.319 835 2HB GLU 10 1HB GLU 10 18.549 8.058 -3.319 836 1HG GLU 10 2HG GLU 10 19.113 9.225 -1.471 837 2HG GLU 10 1HG GLU 10 20.392 10.092 -2.324 838 H CYS 11 H CYS 11 21.925 7.779 -6.151 839 HA CYS 11 HA CYS 11 20.298 6.334 -7.837 840 1HB CYS 11 2HB CYS 11 23.149 6.191 -6.978 841 2HB CYS 11 1HB CYS 11 22.541 4.864 -7.976 842 H LYS 12 H LYS 12 21.512 5.297 -4.700 843 HA LYS 12 HA LYS 12 19.976 2.739 -5.030 844 1HB LYS 12 2HB LYS 12 22.518 3.407 -3.517 845 2HB LYS 12 1HB LYS 12 21.676 1.864 -3.377 846 1HG LYS 12 2HG LYS 12 23.003 1.231 -5.110 847 2HG LYS 12 1HG LYS 12 21.852 2.133 -6.096 848 1HD LYS 12 2HD LYS 12 23.238 4.035 -6.196 849 2HD LYS 12 1HD LYS 12 24.194 3.522 -4.806 850 1HE LYS 12 2HE LYS 12 24.543 1.417 -6.576 851 2HE LYS 12 1HE LYS 12 24.539 2.837 -7.640 852 1HZ LYS 12 3HZ LYS 12 26.003 3.885 -5.851 853 2HZ LYS 12 2HZ LYS 12 26.257 2.299 -5.295 854 3HZ LYS 12 1HZ LYS 12 26.721 2.735 -6.870 855 H SER 13 H SER 13 20.249 5.682 -3.327 856 HA SER 13 HA SER 13 19.214 4.767 -0.750 857 1HB SER 13 2HB SER 13 19.899 7.311 -2.142 858 2HB SER 13 1HB SER 13 18.802 7.426 -0.771 859 HG SER 13 HG SER 13 21.308 6.085 -0.759 860 H ILE 14 H ILE 14 17.854 5.915 -3.762 861 HA ILE 14 HA ILE 14 15.161 6.396 -2.716 862 HB ILE 14 HB ILE 14 16.511 6.237 -5.418 863 1HG1 ILE 14 2HG1 ILE 14 15.137 8.629 -4.249 864 2HG1 ILE 14 1HG1 ILE 14 16.730 8.178 -3.650 865 1HG2 ILE 14 2HG2 ILE 14 14.139 5.489 -5.613 866 2HG2 ILE 14 1HG2 ILE 14 13.629 7.007 -4.876 867 3HG2 ILE 14 3HG2 ILE 14 14.441 7.016 -6.443 868 1HD1 ILE 14 3HD1 ILE 14 17.562 8.157 -6.010 869 2HD1 ILE 14 2HD1 ILE 14 15.990 8.765 -6.529 870 3HD1 ILE 14 1HD1 ILE 14 17.015 9.749 -5.482 871 H VAL 15 H VAL 15 16.882 3.889 -4.497 872 HA VAL 15 HA VAL 15 14.514 2.203 -4.848 873 HB VAL 15 HB VAL 15 17.360 1.255 -5.109 874 1HG1 VAL 15 2HG1 VAL 15 14.832 0.968 -6.761 875 2HG1 VAL 15 1HG1 VAL 15 16.386 0.250 -7.184 876 3HG1 VAL 15 3HG1 VAL 15 15.548 -0.261 -5.719 877 1HG2 VAL 15 3HG2 VAL 15 16.009 3.387 -6.784 878 2HG2 VAL 15 2HG2 VAL 15 17.624 3.420 -6.077 879 3HG2 VAL 15 1HG2 VAL 15 17.286 2.364 -7.442 880 H LYS 16 H LYS 16 16.911 2.816 -2.467 881 HA LYS 16 HA LYS 16 16.740 0.259 -1.067 882 1HB LYS 16 2HB LYS 16 18.678 1.781 -0.887 883 2HB LYS 16 1HB LYS 16 17.638 3.046 -0.232 884 1HG LYS 16 2HG LYS 16 17.693 0.364 1.093 885 2HG LYS 16 1HG LYS 16 19.018 1.490 1.383 886 1HD LYS 16 2HD LYS 16 17.133 3.226 1.853 887 2HD LYS 16 1HD LYS 16 16.099 1.808 2.045 888 1HE LYS 16 2HE LYS 16 18.708 1.701 3.472 889 2HE LYS 16 1HE LYS 16 17.513 2.852 4.104 890 1HZ LYS 16 2HZ LYS 16 16.989 -0.008 3.472 891 2HZ LYS 16 1HZ LYS 16 17.176 0.632 5.035 892 3HZ LYS 16 3HZ LYS 16 15.854 1.100 4.082 893 H PHE 17 H PHE 17 15.295 3.486 -0.862 894 HA PHE 17 HA PHE 17 13.635 3.007 1.444 895 1HB PHE 17 2HB PHE 17 13.825 5.256 0.867 896 2HB PHE 17 1HB PHE 17 13.835 4.913 -0.860 897 HD1 PHE 17 HD1 PHE 17 11.723 4.452 -2.067 898 HD2 PHE 17 HD2 PHE 17 11.751 5.621 2.066 899 HE1 PHE 17 HE1 PHE 17 9.308 4.986 -2.205 900 HE2 PHE 17 HE2 PHE 17 9.333 6.155 1.929 901 HZ PHE 17 HZ PHE 17 8.109 5.837 -0.208 902 H GLN 18 H GLN 18 13.376 2.331 -2.006 903 HA GLN 18 HA GLN 18 10.599 1.666 -2.149 904 1HB GLN 18 2HB GLN 18 13.103 0.917 -3.644 905 2HB GLN 18 1HB GLN 18 11.554 0.197 -4.088 906 1HG GLN 18 2HG GLN 18 10.592 2.472 -4.333 907 2HG GLN 18 1HG GLN 18 12.171 3.162 -3.958 908 1HE2 GLN 18 2HE2 GLN 18 11.903 2.959 -7.670 909 2HE2 GLN 18 1HE2 GLN 18 11.060 3.774 -6.444 910 H THR 19 H THR 19 13.449 -0.337 -1.396 911 HA THR 19 HA THR 19 12.195 -2.870 -1.209 912 HB THR 19 HB THR 19 14.681 -1.889 -0.887 913 HG1 THR 19 HG1 THR 19 13.827 -4.238 0.436 914 1HG2 THR 19 3HG2 THR 19 13.979 -0.949 1.388 915 2HG2 THR 19 2HG2 THR 19 13.940 -2.620 1.948 916 3HG2 THR 19 1HG2 THR 19 15.451 -1.920 1.364 917 H LYS 20 H LYS 20 12.250 -0.163 1.052 918 HA LYS 20 HA LYS 20 11.055 -1.565 3.288 919 1HB LYS 20 2HB LYS 20 11.406 1.306 2.414 920 2HB LYS 20 1HB LYS 20 10.480 0.921 3.865 921 1HG LYS 20 2HG LYS 20 12.641 -0.602 4.342 922 2HG LYS 20 1HG LYS 20 13.402 0.647 3.357 923 1HD LYS 20 2HD LYS 20 13.386 2.054 5.110 924 2HD LYS 20 1HD LYS 20 11.630 1.922 5.210 925 1HE LYS 20 2HE LYS 20 11.896 0.819 7.172 926 2HE LYS 20 1HE LYS 20 12.666 -0.500 6.267 927 1HZ LYS 20 3HZ LYS 20 14.189 1.946 6.863 928 2HZ LYS 20 2HZ LYS 20 14.022 0.759 8.066 929 3HZ LYS 20 1HZ LYS 20 14.758 0.372 6.585 930 H VAL 21 H VAL 21 9.846 0.286 0.536 931 HA VAL 21 HA VAL 21 7.042 0.188 1.302 932 HB VAL 21 HB VAL 21 8.741 0.909 -1.060 933 1HG1 VAL 21 1HG1 VAL 21 5.785 0.324 -1.134 934 2HG1 VAL 21 3HG1 VAL 21 6.493 1.533 -2.205 935 3HG1 VAL 21 2HG1 VAL 21 7.032 -0.144 -2.290 936 1HG2 VAL 21 3HG2 VAL 21 6.655 2.292 0.641 937 2HG2 VAL 21 2HG2 VAL 21 8.390 2.610 0.599 938 3HG2 VAL 21 1HG2 VAL 21 7.382 3.033 -0.786 939 H GLU 22 H GLU 22 9.280 -2.026 -0.087 940 HA GLU 22 HA GLU 22 7.376 -3.643 -1.591 941 1HB GLU 22 2HB GLU 22 10.241 -3.700 -0.730 942 2HB GLU 22 1HB GLU 22 9.517 -5.228 -1.221 943 1HG GLU 22 2HG GLU 22 8.873 -4.290 -3.374 944 2HG GLU 22 1HG GLU 22 9.447 -2.696 -2.884 945 H GLU 23 H GLU 23 9.058 -3.969 1.551 946 HA GLU 23 HA GLU 23 7.614 -6.389 2.298 947 1HB GLU 23 2HB GLU 23 8.719 -5.857 4.516 948 2HB GLU 23 1HB GLU 23 9.838 -5.924 3.154 949 1HG GLU 23 2HG GLU 23 10.242 -3.667 3.198 950 2HG GLU 23 1HG GLU 23 8.605 -3.279 3.723 951 H LEU 24 H LEU 24 7.112 -2.939 2.655 952 HA LEU 24 HA LEU 24 5.125 -3.133 4.770 953 1HB LEU 24 2HB LEU 24 6.648 -1.163 3.891 954 2HB LEU 24 1HB LEU 24 5.307 -0.892 2.775 955 HG LEU 24 HG LEU 24 3.746 -0.664 4.630 956 1HD1 LEU 24 3HD1 LEU 24 5.957 -1.920 6.082 957 2HD1 LEU 24 2HD1 LEU 24 5.299 -0.519 6.928 958 3HD1 LEU 24 1HD1 LEU 24 4.243 -1.860 6.487 959 1HD2 LEU 24 3HD2 LEU 24 5.502 1.206 3.918 960 2HD2 LEU 24 2HD2 LEU 24 4.409 1.462 5.279 961 3HD2 LEU 24 1HD2 LEU 24 6.075 0.966 5.569 962 H ILE 25 H ILE 25 5.010 -2.735 1.220 963 HA ILE 25 HA ILE 25 2.169 -2.623 0.956 964 HB ILE 25 HB ILE 25 4.579 -3.047 -0.696 965 1HG1 ILE 25 2HG1 ILE 25 3.557 -1.386 -2.064 966 2HG1 ILE 25 1HG1 ILE 25 1.946 -1.760 -1.450 967 1HG2 ILE 25 3HG2 ILE 25 1.919 -4.205 -1.585 968 2HG2 ILE 25 2HG2 ILE 25 3.276 -3.891 -2.664 969 3HG2 ILE 25 1HG2 ILE 25 3.433 -5.084 -1.378 970 1HD1 ILE 25 1HD1 ILE 25 3.829 -1.018 0.671 971 2HD1 ILE 25 3HD1 ILE 25 3.591 0.266 -0.516 972 3HD1 ILE 25 2HD1 ILE 25 2.208 -0.407 0.345 973 H ASN 26 H ASN 26 4.446 -5.365 1.135 974 HA ASN 26 HA ASN 26 2.565 -7.446 0.538 975 1HB ASN 26 2HB ASN 26 5.139 -7.471 0.719 976 2HB ASN 26 1HB ASN 26 4.896 -7.612 2.460 977 1HD2 ASN 26 2HD2 ASN 26 4.433 -10.875 0.134 978 2HD2 ASN 26 1HD2 ASN 26 5.016 -9.404 -0.478 979 H THR 27 H THR 27 3.700 -6.113 3.630 980 HA THR 27 HA THR 27 2.086 -7.632 5.400 981 HB THR 27 HB THR 27 3.192 -4.812 5.439 982 HG1 THR 27 HG1 THR 27 3.984 -7.172 6.792 983 1HG2 THR 27 2HG2 THR 27 1.753 -6.375 7.583 984 2HG2 THR 27 1HG2 THR 27 2.882 -5.078 7.973 985 3HG2 THR 27 3HG2 THR 27 1.433 -4.731 7.029 986 H LEU 28 H LEU 28 1.318 -4.784 3.443 987 HA LEU 28 HA LEU 28 -1.204 -4.181 4.745 988 1HB LEU 28 2HB LEU 28 0.236 -3.467 2.202 989 2HB LEU 28 1HB LEU 28 -1.452 -2.996 2.394 990 HG LEU 28 HG LEU 28 0.372 -2.436 4.681 991 1HD1 LEU 28 1HD1 LEU 28 0.825 -1.449 1.963 992 2HD1 LEU 28 3HD1 LEU 28 0.563 -0.143 3.120 993 3HD1 LEU 28 2HD1 LEU 28 1.855 -1.314 3.389 994 1HD2 LEU 28 3HD2 LEU 28 -2.171 -1.506 3.526 995 2HD2 LEU 28 2HD2 LEU 28 -1.621 -1.474 5.202 996 3HD2 LEU 28 1HD2 LEU 28 -1.129 -0.198 4.089 997 H GLN 29 H GLN 29 -0.321 -5.886 1.743 998 HA GLN 29 HA GLN 29 -3.014 -6.661 1.053 999 1HB GLN 29 2HB GLN 29 -0.713 -6.504 -0.259 1000 2HB GLN 29 1HB GLN 29 -0.537 -8.176 0.273 1001 1HG GLN 29 2HG GLN 29 -3.180 -7.996 -0.652 1002 2HG GLN 29 1HG GLN 29 -2.226 -7.097 -1.832 1003 1HE2 GLN 29 2HE2 GLN 29 -2.198 -10.786 -2.677 1004 2HE2 GLN 29 1HE2 GLN 29 -3.453 -9.680 -2.388 1005 H GLN 30 H GLN 30 -0.850 -7.664 3.463 1006 HA GLN 30 HA GLN 30 -1.745 -10.466 3.608 1007 1HB GLN 30 2HB GLN 30 0.095 -8.628 5.150 1008 2HB GLN 30 1HB GLN 30 -0.271 -10.254 5.730 1009 1HG GLN 30 2HG GLN 30 0.366 -10.317 2.911 1010 2HG GLN 30 1HG GLN 30 1.663 -9.539 3.816 1011 1HE2 GLN 30 2HE2 GLN 30 2.275 -13.223 3.926 1012 2HE2 GLN 30 1HE2 GLN 30 2.189 -12.056 2.697 1013 H LYS 31 H LYS 31 -1.949 -7.530 5.630 1014 HA LYS 31 HA LYS 31 -3.827 -8.655 7.523 1015 1HB LYS 31 2HB LYS 31 -2.713 -5.974 6.775 1016 2HB LYS 31 1HB LYS 31 -4.127 -6.024 7.829 1017 1HG LYS 31 2HG LYS 31 -2.879 -7.632 9.306 1018 2HG LYS 31 1HG LYS 31 -1.451 -7.359 8.307 1019 1HD LYS 31 2HD LYS 31 -1.455 -4.991 8.853 1020 2HD LYS 31 1HD LYS 31 -2.975 -5.161 9.733 1021 1HE LYS 31 2HE LYS 31 -1.896 -6.644 11.370 1022 2HE LYS 31 1HE LYS 31 -0.367 -6.538 10.474 1023 1HZ LYS 31 2HZ LYS 31 -0.507 -4.097 10.704 1024 2HZ LYS 31 1HZ LYS 31 -1.861 -4.288 11.713 1025 3HZ LYS 31 3HZ LYS 31 -0.352 -4.890 12.200 1026 H LEU 32 H LEU 32 -4.074 -7.400 4.328 1027 HA LEU 32 HA LEU 32 -6.896 -6.619 4.483 1028 1HB LEU 32 2HB LEU 32 -4.910 -5.803 2.963 1029 2HB LEU 32 1HB LEU 32 -5.320 -7.211 1.982 1030 HG LEU 32 HG LEU 32 -7.580 -6.416 1.671 1031 1HD1 LEU 32 2HD1 LEU 32 -6.762 -4.383 3.744 1032 2HD1 LEU 32 1HD1 LEU 32 -8.101 -4.067 2.639 1033 3HD1 LEU 32 3HD1 LEU 32 -8.172 -5.443 3.740 1034 1HD2 LEU 32 1HD2 LEU 32 -5.401 -4.369 1.252 1035 2HD2 LEU 32 3HD2 LEU 32 -6.131 -5.451 0.066 1036 3HD2 LEU 32 2HD2 LEU 32 -7.049 -4.082 0.695 1037 H GLU 33 H GLU 33 -5.016 -9.296 3.014 1038 HA GLU 33 HA GLU 33 -7.339 -10.747 2.087 1039 1HB GLU 33 2HB GLU 33 -5.124 -11.061 1.127 1040 2HB GLU 33 1HB GLU 33 -4.468 -11.527 2.697 1041 1HG GLU 33 2HG GLU 33 -5.045 -13.666 2.320 1042 2HG GLU 33 1HG GLU 33 -6.733 -13.189 2.142 1043 H ALA 34 H ALA 34 -5.855 -10.343 5.164 1044 HA ALA 34 HA ALA 34 -6.994 -12.825 6.312 1045 1HB ALA 34 2HB ALA 34 -5.041 -10.719 7.004 1046 2HB ALA 34 1HB ALA 34 -6.028 -11.245 8.367 1047 3HB ALA 34 3HB ALA 34 -5.060 -12.419 7.476 1048 H VAL 35 H VAL 35 -7.420 -9.331 6.298 1049 HA VAL 35 HA VAL 35 -9.502 -9.093 8.235 1050 HB VAL 35 HB VAL 35 -8.304 -7.599 5.973 1051 1HG1 VAL 35 2HG1 VAL 35 -10.731 -7.497 5.405 1052 2HG1 VAL 35 1HG1 VAL 35 -11.043 -6.815 7.001 1053 3HG1 VAL 35 3HG1 VAL 35 -10.063 -5.926 5.837 1054 1HG2 VAL 35 1HG2 VAL 35 -7.634 -7.269 8.317 1055 2HG2 VAL 35 3HG2 VAL 35 -8.322 -5.789 7.650 1056 3HG2 VAL 35 2HG2 VAL 35 -9.283 -6.801 8.726 1057 H ALA 36 H ALA 36 -9.483 -9.874 4.773 1058 HA ALA 36 HA ALA 36 -12.343 -9.872 4.403 1059 1HB ALA 36 2HB ALA 36 -10.497 -9.755 2.664 1060 2HB ALA 36 1HB ALA 36 -10.212 -11.471 2.952 1061 3HB ALA 36 3HB ALA 36 -11.761 -10.932 2.302 1062 H LYS 37 H LYS 37 -9.995 -12.234 5.550 1063 HA LYS 37 HA LYS 37 -11.789 -14.516 5.426 1064 1HB LYS 37 2HB LYS 37 -9.859 -15.594 5.994 1065 2HB LYS 37 1HB LYS 37 -9.085 -14.023 5.816 1066 1HG LYS 37 2HG LYS 37 -9.708 -13.624 8.283 1067 2HG LYS 37 1HG LYS 37 -10.046 -15.353 8.353 1068 1HD LYS 37 2HD LYS 37 -7.601 -15.335 7.116 1069 2HD LYS 37 1HD LYS 37 -7.455 -13.950 8.200 1070 1HE LYS 37 2HE LYS 37 -7.820 -15.269 10.132 1071 2HE LYS 37 1HE LYS 37 -8.513 -16.606 9.193 1072 1HZ LYS 37 3HZ LYS 37 -5.716 -15.630 8.962 1073 2HZ LYS 37 2HZ LYS 37 -6.189 -17.030 9.799 1074 3HZ LYS 37 1HZ LYS 37 -6.391 -16.935 8.114 1075 H ARG 38 H ARG 38 -11.086 -12.009 7.793 1076 HA ARG 38 HA ARG 38 -12.502 -13.249 10.003 1077 1HB ARG 38 2HB ARG 38 -11.923 -10.320 9.479 1078 2HB ARG 38 1HB ARG 38 -12.111 -11.108 11.046 1079 1HG ARG 38 2HG ARG 38 -10.101 -12.588 9.874 1080 2HG ARG 38 1HG ARG 38 -9.757 -10.955 9.301 1081 1HD ARG 38 2HD ARG 38 -8.603 -11.173 11.400 1082 2HD ARG 38 1HD ARG 38 -10.051 -10.207 11.749 1083 HE ARG 38 HE ARG 38 -10.927 -12.807 12.082 1084 1HH1 ARG 38 1HH2 ARG 38 -9.550 -10.443 13.938 1085 2HH1 ARG 38 2HH2 ARG 38 -8.905 -11.492 15.155 1086 1HH2 ARG 38 2HH1 ARG 38 -9.555 -14.395 13.376 1087 2HH2 ARG 38 1HH1 ARG 38 -8.904 -13.728 14.835 1088 H ILE 39 H ILE 39 -13.284 -10.878 7.487 1089 HA ILE 39 HA ILE 39 -15.887 -10.133 8.333 1090 HB ILE 39 HB ILE 39 -14.540 -10.454 5.638 1091 1HG1 ILE 39 2HG1 ILE 39 -13.771 -8.718 7.363 1092 2HG1 ILE 39 1HG1 ILE 39 -14.193 -8.096 5.769 1093 1HG2 ILE 39 3HG2 ILE 39 -17.020 -10.640 5.412 1094 2HG2 ILE 39 2HG2 ILE 39 -17.180 -9.079 6.216 1095 3HG2 ILE 39 1HG2 ILE 39 -16.371 -9.187 4.653 1096 1HD1 ILE 39 2HD1 ILE 39 -16.286 -8.240 7.920 1097 2HD1 ILE 39 1HD1 ILE 39 -15.145 -6.900 7.884 1098 3HD1 ILE 39 3HD1 ILE 39 -16.212 -7.182 6.512 1099 H GLU 40 H GLU 40 -14.775 -12.821 6.286 1100 HA GLU 40 HA GLU 40 -17.362 -13.953 5.754 1101 1HB GLU 40 2HB GLU 40 -14.593 -15.193 5.955 1102 2HB GLU 40 1HB GLU 40 -15.986 -15.951 5.181 1103 1HG GLU 40 2HG GLU 40 -15.851 -13.389 4.053 1104 2HG GLU 40 1HG GLU 40 -14.176 -13.937 4.125 1105 H ALA 41 H ALA 41 -15.018 -14.300 8.381 1106 HA ALA 41 HA ALA 41 -16.159 -16.517 9.757 1107 1HB ALA 41 1HB ALA 41 -13.995 -15.094 10.122 1108 2HB ALA 41 3HB ALA 41 -15.034 -14.060 11.104 1109 3HB ALA 41 2HB ALA 41 -14.804 -15.752 11.545 1110 H LEU 42 H LEU 42 -16.993 -13.088 9.700 1111 HA LEU 42 HA LEU 42 -19.086 -13.330 11.733 1112 1HB LEU 42 2HB LEU 42 -18.230 -11.211 9.740 1113 2HB LEU 42 1HB LEU 42 -19.545 -10.965 10.878 1114 HG LEU 42 HG LEU 42 -17.944 -10.165 12.268 1115 1HD1 LEU 42 3HD1 LEU 42 -18.386 -12.386 13.302 1116 2HD1 LEU 42 2HD1 LEU 42 -17.029 -13.054 12.395 1117 3HD1 LEU 42 1HD1 LEU 42 -16.748 -11.816 13.619 1118 1HD2 LEU 42 2HD2 LEU 42 -16.367 -10.869 10.052 1119 2HD2 LEU 42 1HD2 LEU 42 -15.912 -9.815 11.391 1120 3HD2 LEU 42 3HD2 LEU 42 -15.538 -11.537 11.458 1121 H GLU 43 H GLU 43 -18.815 -13.502 8.233 1122 HA GLU 43 HA GLU 43 -21.623 -13.220 7.612 1123 1HB GLU 43 2HB GLU 43 -19.331 -14.619 6.191 1124 2HB GLU 43 1HB GLU 43 -20.864 -14.172 5.445 1125 1HG GLU 43 2HG GLU 43 -19.999 -11.833 6.692 1126 2HG GLU 43 1HG GLU 43 -18.537 -12.521 5.988 1127 H ASN 44 H ASN 44 -19.704 -15.733 8.958 1128 HA ASN 44 HA ASN 44 -21.340 -17.995 8.143 1129 1HB ASN 44 2HB ASN 44 -19.220 -17.411 10.210 1130 2HB ASN 44 1HB ASN 44 -20.043 -18.969 10.198 1131 1HD2 ASN 44 2HD2 ASN 44 -16.998 -19.169 7.992 1132 2HD2 ASN 44 1HD2 ASN 44 -17.240 -18.763 9.623 1133 H LYS 45 H LYS 45 -21.546 -15.519 10.569 1134 HA LYS 45 HA LYS 45 -23.841 -16.960 11.869 1135 1HB LYS 45 2HB LYS 45 -21.952 -14.848 12.964 1136 2HB LYS 45 1HB LYS 45 -23.241 -15.642 13.870 1137 1HG LYS 45 2HG LYS 45 -21.318 -16.876 14.452 1138 2HG LYS 45 1HG LYS 45 -22.074 -17.853 13.191 1139 1HD LYS 45 2HD LYS 45 -20.367 -17.517 11.748 1140 2HD LYS 45 1HD LYS 45 -20.253 -15.803 12.142 1141 1HE LYS 45 2HE LYS 45 -18.225 -16.571 13.015 1142 2HE LYS 45 1HE LYS 45 -19.270 -16.769 14.436 1143 1HZ LYS 45 1HZ LYS 45 -19.063 -18.883 12.384 1144 2HZ LYS 45 3HZ LYS 45 -17.941 -18.797 13.651 1145 3HZ LYS 45 2HZ LYS 45 -19.591 -19.014 13.993 1146 H ILE 46 H ILE 46 -22.957 -14.363 9.884 1147 HA ILE 46 HA ILE 46 -25.307 -12.710 10.714 1148 HB ILE 46 HB ILE 46 -22.860 -12.213 8.984 1149 1HG1 ILE 46 2HG1 ILE 46 -22.175 -11.932 11.213 1150 2HG1 ILE 46 1HG1 ILE 46 -22.668 -10.305 10.769 1151 1HG2 ILE 46 3HG2 ILE 46 -25.449 -10.928 8.948 1152 2HG2 ILE 46 2HG2 ILE 46 -24.207 -9.789 9.470 1153 3HG2 ILE 46 1HG2 ILE 46 -24.044 -10.625 7.926 1154 1HD1 ILE 46 1HD1 ILE 46 -24.994 -10.961 11.688 1155 2HD1 ILE 46 3HD1 ILE 46 -24.160 -12.312 12.455 1156 3HD1 ILE 46 2HD1 ILE 46 -23.710 -10.655 12.857 1157 H ILE 47 HN ILE 47 -24.137 -14.902 8.317 1158 HA ILE 47 HA ILE 47 -25.561 -14.087 5.995 1159 HB ILE 47 HB ILE 47 -23.894 -15.835 5.945 1160 1HG1 ILE 47 2HG1 ILE 47 -26.010 -17.742 5.475 1161 2HG1 ILE 47 1HG1 ILE 47 -26.506 -16.154 4.887 1162 1HG2 ILE 47 3HG2 ILE 47 -24.968 -16.579 8.385 1163 2HG2 ILE 47 2HG2 ILE 47 -25.466 -17.896 7.322 1164 3HG2 ILE 47 1HG2 ILE 47 -23.758 -17.494 7.486 1165 1HD1 ILE 47 3HD1 ILE 47 -23.886 -16.299 4.037 1166 2HD1 ILE 47 2HD1 ILE 47 -24.434 -17.966 3.857 1167 3HD1 ILE 47 1HD1 ILE 47 -25.294 -16.663 3.038 No H/Q in entry = 1167 Start of MODEL 16 1 1H GLY 1 2H GLY 1 30.290 -13.167 -18.762 2 2H GLY 1 1H GLY 1 29.779 -13.160 -17.142 3 3H GLY 1 3H GLY 1 30.215 -14.620 -17.885 4 1HA GLY 1 2HA GLY 1 28.216 -14.915 -18.786 5 2HA GLY 1 1HA GLY 1 27.686 -13.663 -17.662 6 H SER 2 H SER 2 27.316 -14.450 -20.736 7 HA SER 2 HA SER 2 28.090 -12.198 -22.299 8 1HB SER 2 2HB SER 2 27.214 -14.453 -23.037 9 2HB SER 2 1HB SER 2 25.605 -13.916 -22.563 10 HG SER 2 HG SER 2 27.237 -12.411 -24.313 11 H HIS 3 H HIS 3 27.610 -10.166 -21.406 12 HA HIS 3 HA HIS 3 24.697 -9.548 -21.077 13 1HB HIS 3 2HB HIS 3 26.935 -9.426 -19.174 14 2HB HIS 3 1HB HIS 3 26.014 -7.925 -19.265 15 HD1 HIS 3 HD1 HIS 3 23.225 -8.496 -19.321 16 HD2 HIS 3 HD2 HIS 3 25.776 -11.155 -17.369 17 HE1 HIS 3 HE1 HIS 3 21.779 -9.847 -17.743 18 H MET 4 H MET 4 24.095 -7.645 -22.091 19 HA MET 4 HA MET 4 26.177 -6.181 -23.609 20 1HB MET 4 2HB MET 4 23.143 -6.079 -23.524 21 2HB MET 4 1HB MET 4 24.139 -5.158 -24.652 22 1HG MET 4 2HG MET 4 24.576 -8.113 -24.465 23 2HG MET 4 1HG MET 4 23.154 -7.530 -25.331 24 1HE MET 4 2HE MET 4 23.059 -7.318 -27.451 25 2HE MET 4 1HE MET 4 23.437 -5.597 -27.458 26 3HE MET 4 3HE MET 4 24.219 -6.682 -28.616 27 H GLU 5 H GLU 5 24.897 -3.663 -23.731 28 HA GLU 5 HA GLU 5 25.995 -2.204 -21.617 29 1HB GLU 5 2HB GLU 5 25.163 -1.204 -23.669 30 2HB GLU 5 1HB GLU 5 23.517 -1.722 -23.300 31 1HG GLU 5 2HG GLU 5 23.230 -0.117 -21.652 32 2HG GLU 5 1HG GLU 5 24.956 -0.018 -21.302 33 H GLU 6 H GLU 6 25.085 -1.345 -19.646 34 HA GLU 6 HA GLU 6 22.538 -2.621 -18.734 35 1HB GLU 6 2HB GLU 6 23.651 -3.256 -16.652 36 2HB GLU 6 1HB GLU 6 24.566 -3.906 -18.013 37 1HG GLU 6 2HG GLU 6 26.038 -1.864 -17.898 38 2HG GLU 6 1HG GLU 6 25.205 -1.418 -16.409 39 H ASP 7 H ASP 7 21.207 -1.108 -17.836 40 HA ASP 7 HA ASP 7 21.541 1.615 -17.723 41 1HB ASP 7 2HB ASP 7 19.603 -0.066 -17.055 42 2HB ASP 7 1HB ASP 7 20.203 0.230 -15.424 43 HA PRO 8 HA PRO 8 24.726 2.215 -14.715 44 1HB PRO 8 2HB PRO 8 24.450 4.925 -14.452 45 2HB PRO 8 1HB PRO 8 25.229 4.163 -15.851 46 1HG PRO 8 2HG PRO 8 22.491 5.287 -15.590 47 2HG PRO 8 1HG PRO 8 23.600 5.318 -16.969 48 1HD PRO 8 2HD PRO 8 21.467 3.608 -16.751 49 2HD PRO 8 1HD PRO 8 22.913 3.280 -17.729 50 H CYS 9 H CYS 9 21.863 4.306 -14.122 51 HA CYS 9 HA CYS 9 21.825 3.273 -11.307 52 1HB CYS 9 2HB CYS 9 21.720 6.013 -12.515 53 2HB CYS 9 1HB CYS 9 20.815 5.724 -11.028 54 H GLU 10 H GLU 10 20.292 2.170 -13.517 55 HA GLU 10 HA GLU 10 18.053 1.767 -14.201 56 1HB GLU 10 2HB GLU 10 18.087 2.056 -11.193 57 2HB GLU 10 1HB GLU 10 16.639 1.536 -12.053 58 1HG GLU 10 2HG GLU 10 17.528 -0.499 -12.604 59 2HG GLU 10 1HG GLU 10 19.158 0.148 -12.792 60 H CYS 11 H CYS 11 18.601 4.413 -14.779 61 HA CYS 11 HA CYS 11 17.125 6.443 -13.561 62 1HB CYS 11 2HB CYS 11 18.097 5.795 -16.308 63 2HB CYS 11 1HB CYS 11 16.974 7.150 -16.143 64 H LYS 12 H LYS 12 15.998 3.830 -15.625 65 HA LYS 12 HA LYS 12 13.205 4.898 -15.370 66 1HB LYS 12 2HB LYS 12 14.408 3.104 -17.502 67 2HB LYS 12 1HB LYS 12 12.797 3.825 -17.525 68 1HG LYS 12 2HG LYS 12 13.808 5.476 -18.728 69 2HG LYS 12 1HG LYS 12 14.350 6.042 -17.148 70 1HD LYS 12 2HD LYS 12 16.484 5.691 -17.761 71 2HD LYS 12 1HD LYS 12 16.131 3.976 -17.979 72 1HE LYS 12 2HE LYS 12 16.683 4.410 -20.165 73 2HE LYS 12 1HE LYS 12 15.023 5.034 -20.255 74 1HZ LYS 12 1HZ LYS 12 17.219 6.729 -19.245 75 2HZ LYS 12 3HZ LYS 12 16.941 6.594 -20.913 76 3HZ LYS 12 2HZ LYS 12 15.721 7.199 -19.897 77 H SER 13 H SER 13 15.353 2.411 -14.494 78 HA SER 13 HA SER 13 13.401 0.229 -14.347 79 1HB SER 13 2HB SER 13 16.264 0.761 -13.721 80 2HB SER 13 1HB SER 13 15.505 -0.572 -12.859 81 HG SER 13 HG SER 13 14.914 -1.445 -14.865 82 H ILE 14 H ILE 14 14.640 2.726 -12.217 83 HA ILE 14 HA ILE 14 13.508 1.572 -9.764 84 HB ILE 14 HB ILE 14 14.772 4.201 -10.576 85 1HG1 ILE 14 2HG1 ILE 14 15.895 2.233 -8.616 86 2HG1 ILE 14 1HG1 ILE 14 16.003 1.873 -10.336 87 1HG2 ILE 14 3HG2 ILE 14 13.145 4.483 -8.680 88 2HG2 ILE 14 2HG2 ILE 14 14.070 3.290 -7.769 89 3HG2 ILE 14 1HG2 ILE 14 14.815 4.821 -8.227 90 1HD1 ILE 14 1HD1 ILE 14 16.996 4.414 -9.009 91 2HD1 ILE 14 3HD1 ILE 14 18.011 3.083 -9.566 92 3HD1 ILE 14 2HD1 ILE 14 17.101 4.045 -10.731 93 H VAL 15 H VAL 15 12.714 4.082 -12.112 94 HA VAL 15 HA VAL 15 10.330 4.994 -10.652 95 HB VAL 15 HB VAL 15 10.863 5.582 -13.549 96 1HG1 VAL 15 2HG1 VAL 15 10.038 7.189 -11.114 97 2HG1 VAL 15 1HG1 VAL 15 10.300 7.893 -12.710 98 3HG1 VAL 15 3HG1 VAL 15 9.015 6.710 -12.469 99 1HG2 VAL 15 2HG2 VAL 15 12.660 6.328 -11.238 100 2HG2 VAL 15 1HG2 VAL 15 13.115 5.737 -12.835 101 3HG2 VAL 15 3HG2 VAL 15 12.513 7.382 -12.643 102 H LYS 16 H LYS 16 11.228 2.622 -12.979 103 HA LYS 16 HA LYS 16 8.598 2.174 -14.147 104 1HB LYS 16 2HB LYS 16 10.497 1.450 -15.388 105 2HB LYS 16 1HB LYS 16 11.241 0.709 -13.971 106 1HG LYS 16 2HG LYS 16 8.588 -0.375 -14.624 107 2HG LYS 16 1HG LYS 16 9.802 -0.652 -15.873 108 1HD LYS 16 2HD LYS 16 11.329 -1.381 -13.888 109 2HD LYS 16 1HD LYS 16 9.814 -1.553 -13.002 110 1HE LYS 16 2HE LYS 16 9.797 -2.764 -15.705 111 2HE LYS 16 1HE LYS 16 10.885 -3.543 -14.539 112 1HZ LYS 16 3HZ LYS 16 8.844 -3.149 -12.959 113 2HZ LYS 16 2HZ LYS 16 7.976 -3.195 -14.420 114 3HZ LYS 16 1HZ LYS 16 8.925 -4.524 -13.948 115 H PHE 17 H PHE 17 10.576 0.777 -11.563 116 HA PHE 17 HA PHE 17 8.696 -1.233 -10.706 117 1HB PHE 17 2HB PHE 17 10.863 -1.553 -9.915 118 2HB PHE 17 1HB PHE 17 11.145 0.173 -9.706 119 HD1 PHE 17 HD1 PHE 17 9.964 1.376 -7.789 120 HD2 PHE 17 HD2 PHE 17 10.179 -2.902 -8.094 121 HE1 PHE 17 HE1 PHE 17 9.425 1.179 -5.378 122 HE2 PHE 17 HE2 PHE 17 9.642 -3.101 -5.682 123 HZ PHE 17 HZ PHE 17 9.265 -1.061 -4.320 124 H GLN 18 H GLN 18 9.158 2.200 -10.059 125 HA GLN 18 HA GLN 18 7.494 2.502 -7.769 126 1HB GLN 18 2HB GLN 18 8.412 4.193 -10.071 127 2HB GLN 18 1HB GLN 18 7.201 4.850 -8.968 128 1HG GLN 18 2HG GLN 18 8.750 4.206 -7.060 129 2HG GLN 18 1HG GLN 18 9.980 3.868 -8.277 130 1HE2 GLN 18 2HE2 GLN 18 9.315 7.603 -9.194 131 2HE2 GLN 18 1HE2 GLN 18 8.601 6.229 -9.887 132 H THR 19 H THR 19 6.689 2.665 -11.239 133 HA THR 19 HA THR 19 3.904 3.240 -10.980 134 HB THR 19 HB THR 19 5.663 1.847 -13.005 135 HG1 THR 19 HG1 THR 19 5.378 4.254 -12.518 136 1HG2 THR 19 3HG2 THR 19 2.710 1.856 -12.842 137 2HG2 THR 19 2HG2 THR 19 3.381 2.333 -14.401 138 3HG2 THR 19 1HG2 THR 19 3.787 0.761 -13.709 139 H LYS 20 H LYS 20 5.700 0.180 -10.764 140 HA LYS 20 HA LYS 20 3.400 -1.560 -10.846 141 1HB LYS 20 2HB LYS 20 5.024 -3.169 -10.612 142 2HB LYS 20 1HB LYS 20 6.121 -1.823 -10.902 143 1HG LYS 20 2HG LYS 20 6.995 -2.793 -8.950 144 2HG LYS 20 1HG LYS 20 6.003 -1.481 -8.317 145 1HD LYS 20 2HD LYS 20 5.070 -3.104 -7.028 146 2HD LYS 20 1HD LYS 20 4.162 -3.495 -8.488 147 1HE LYS 20 2HE LYS 20 6.558 -4.832 -8.895 148 2HE LYS 20 1HE LYS 20 6.271 -5.039 -7.156 149 1HZ LYS 20 3HZ LYS 20 3.855 -5.460 -7.889 150 2HZ LYS 20 2HZ LYS 20 4.525 -5.771 -9.418 151 3HZ LYS 20 1HZ LYS 20 4.984 -6.710 -8.079 152 H VAL 21 H VAL 21 5.016 0.283 -8.353 153 HA VAL 21 HA VAL 21 3.541 -0.897 -6.118 154 HB VAL 21 HB VAL 21 5.540 1.258 -6.658 155 1HG1 VAL 21 1HG1 VAL 21 3.857 1.125 -4.139 156 2HG1 VAL 21 3HG1 VAL 21 5.343 2.062 -4.302 157 3HG1 VAL 21 2HG1 VAL 21 3.933 2.466 -5.282 158 1HG2 VAL 21 1HG2 VAL 21 6.156 -1.081 -6.056 159 2HG2 VAL 21 3HG2 VAL 21 6.746 0.094 -4.881 160 3HG2 VAL 21 2HG2 VAL 21 5.320 -0.877 -4.516 161 H GLU 22 H GLU 22 3.031 1.560 -8.482 162 HA GLU 22 HA GLU 22 1.137 3.199 -7.016 163 1HB GLU 22 2HB GLU 22 2.149 2.816 -9.800 164 2HB GLU 22 1HB GLU 22 0.618 3.666 -9.619 165 1HG GLU 22 2HG GLU 22 3.040 4.411 -7.984 166 2HG GLU 22 1HG GLU 22 2.754 5.098 -9.583 167 H GLU 23 H GLU 23 0.826 0.629 -9.473 168 HA GLU 23 HA GLU 23 -2.066 0.553 -9.400 169 1HB GLU 23 2HB GLU 23 -0.035 -1.539 -10.248 170 2HB GLU 23 1HB GLU 23 -1.713 -1.439 -10.778 171 1HG GLU 23 2HG GLU 23 -0.789 1.083 -11.363 172 2HG GLU 23 1HG GLU 23 0.633 0.091 -11.686 173 H LEU 24 H LEU 24 0.514 -1.218 -7.720 174 HA LEU 24 HA LEU 24 -1.153 -3.212 -6.493 175 1HB LEU 24 2HB LEU 24 1.471 -2.829 -6.760 176 2HB LEU 24 1HB LEU 24 1.292 -2.091 -5.167 177 HG LEU 24 HG LEU 24 0.246 -4.141 -4.312 178 1HD1 LEU 24 1HD1 LEU 24 0.201 -4.767 -7.197 179 2HD1 LEU 24 3HD1 LEU 24 0.702 -6.109 -6.169 180 3HD1 LEU 24 2HD1 LEU 24 -0.860 -5.333 -5.906 181 1HD2 LEU 24 3HD2 LEU 24 2.846 -3.790 -4.624 182 2HD2 LEU 24 2HD2 LEU 24 2.228 -5.359 -4.106 183 3HD2 LEU 24 1HD2 LEU 24 2.679 -5.101 -5.792 184 H ILE 25 H ILE 25 0.068 -0.062 -5.309 185 HA ILE 25 HA ILE 25 -1.155 -0.116 -2.747 186 HB ILE 25 HB ILE 25 0.162 1.751 -4.568 187 1HG1 ILE 25 2HG1 ILE 25 1.238 2.465 -2.565 188 2HG1 ILE 25 1HG1 ILE 25 -0.104 1.918 -1.560 189 1HG2 ILE 25 3HG2 ILE 25 -2.018 2.853 -2.769 190 2HG2 ILE 25 2HG2 ILE 25 -0.743 3.826 -3.502 191 3HG2 ILE 25 1HG2 ILE 25 -1.925 3.008 -4.523 192 1HD1 ILE 25 2HD1 ILE 25 0.973 -0.250 -3.180 193 2HD1 ILE 25 1HD1 ILE 25 2.212 0.473 -2.153 194 3HD1 ILE 25 3HD1 ILE 25 0.736 -0.171 -1.434 195 H ASN 26 H ASN 26 -2.443 0.872 -5.919 196 HA ASN 26 HA ASN 26 -4.922 1.975 -4.981 197 1HB ASN 26 2HB ASN 26 -3.699 1.980 -7.303 198 2HB ASN 26 1HB ASN 26 -4.577 0.475 -7.571 199 1HD2 ASN 26 2HD2 ASN 26 -7.556 2.149 -8.364 200 2HD2 ASN 26 1HD2 ASN 26 -6.618 0.738 -8.466 201 H THR 27 H THR 27 -4.017 -1.281 -6.071 202 HA THR 27 HA THR 27 -6.565 -2.532 -5.781 203 HB THR 27 HB THR 27 -3.693 -3.477 -5.580 204 HG1 THR 27 HG1 THR 27 -4.458 -2.650 -7.587 205 1HG2 THR 27 2HG2 THR 27 -6.054 -4.874 -4.813 206 2HG2 THR 27 1HG2 THR 27 -5.501 -5.569 -6.336 207 3HG2 THR 27 3HG2 THR 27 -4.414 -5.511 -4.947 208 H LEU 28 H LEU 28 -4.024 -1.762 -3.453 209 HA LEU 28 HA LEU 28 -5.044 -3.407 -1.291 210 1HB LEU 28 2HB LEU 28 -3.088 -1.166 -1.690 211 2HB LEU 28 1HB LEU 28 -3.595 -1.537 -0.042 212 HG LEU 28 HG LEU 28 -2.839 -3.842 -1.763 213 1HD1 LEU 28 2HD1 LEU 28 -1.108 -1.584 -1.449 214 2HD1 LEU 28 1HD1 LEU 28 -0.470 -2.903 -0.468 215 3HD1 LEU 28 3HD1 LEU 28 -0.743 -3.141 -2.194 216 1HD2 LEU 28 3HD2 LEU 28 -2.720 -3.019 1.124 217 2HD2 LEU 28 2HD2 LEU 28 -3.400 -4.481 0.410 218 3HD2 LEU 28 1HD2 LEU 28 -1.652 -4.300 0.552 219 H GLN 29 H GLN 29 -5.379 0.024 -2.183 220 HA GLN 29 HA GLN 29 -7.116 0.706 0.032 221 1HB GLN 29 2HB GLN 29 -5.608 2.102 -1.632 222 2HB GLN 29 1HB GLN 29 -7.067 2.118 -2.622 223 1HG GLN 29 2HG GLN 29 -8.178 2.782 -0.274 224 2HG GLN 29 1HG GLN 29 -6.555 3.408 0.019 225 1HE2 GLN 29 2HE2 GLN 29 -7.298 6.313 -1.806 226 2HE2 GLN 29 1HE2 GLN 29 -6.547 5.605 -0.460 227 H GLN 30 H GLN 30 -7.519 -1.079 -2.825 228 HA GLN 30 HA GLN 30 -10.359 -0.451 -3.264 229 1HB GLN 30 2HB GLN 30 -8.280 -2.333 -4.380 230 2HB GLN 30 1HB GLN 30 -9.973 -2.493 -4.844 231 1HG GLN 30 2HG GLN 30 -9.087 0.276 -4.954 232 2HG GLN 30 1HG GLN 30 -8.109 -0.764 -5.986 233 1HE2 GLN 30 2HE2 GLN 30 -11.312 0.373 -7.735 234 2HE2 GLN 30 1HE2 GLN 30 -10.162 1.244 -6.840 235 H LYS 31 H LYS 31 -8.462 -3.309 -2.253 236 HA LYS 31 HA LYS 31 -10.731 -4.888 -1.443 237 1HB LYS 31 2HB LYS 31 -7.794 -4.917 -1.318 238 2HB LYS 31 1HB LYS 31 -8.550 -5.712 0.064 239 1HG LYS 31 2HG LYS 31 -9.838 -7.157 -1.404 240 2HG LYS 31 1HG LYS 31 -9.253 -6.292 -2.827 241 1HD LYS 31 2HD LYS 31 -6.881 -6.918 -1.906 242 2HD LYS 31 1HD LYS 31 -7.759 -8.156 -1.007 243 1HE LYS 31 2HE LYS 31 -8.469 -9.259 -2.961 244 2HE LYS 31 1HE LYS 31 -8.207 -7.826 -3.975 245 1HZ LYS 31 3HZ LYS 31 -6.035 -9.218 -2.508 246 2HZ LYS 31 2HZ LYS 31 -6.413 -9.535 -4.134 247 3HZ LYS 31 1HZ LYS 31 -5.869 -7.994 -3.671 248 H LEU 32 H LEU 32 -9.034 -2.233 -0.020 249 HA LEU 32 HA LEU 32 -9.783 -2.761 2.749 250 1HB LEU 32 2HB LEU 32 -7.849 -1.359 1.667 251 2HB LEU 32 1HB LEU 32 -9.065 -0.087 1.560 252 HG LEU 32 HG LEU 32 -9.422 -0.141 3.952 253 1HD1 LEU 32 1HD1 LEU 32 -7.839 -2.668 3.720 254 2HD1 LEU 32 3HD1 LEU 32 -7.686 -1.730 5.205 255 3HD1 LEU 32 2HD1 LEU 32 -9.266 -2.324 4.697 256 1HD2 LEU 32 2HD2 LEU 32 -6.575 -0.035 2.983 257 2HD2 LEU 32 1HD2 LEU 32 -7.617 1.287 3.509 258 3HD2 LEU 32 3HD2 LEU 32 -6.925 0.184 4.698 259 H GLU 33 H GLU 33 -10.912 -0.480 0.212 260 HA GLU 33 HA GLU 33 -13.061 0.625 1.770 261 1HB GLU 33 2HB GLU 33 -12.686 0.315 -1.231 262 2HB GLU 33 1HB GLU 33 -13.804 1.438 -0.456 263 1HG GLU 33 2HG GLU 33 -11.026 1.600 0.527 264 2HG GLU 33 1HG GLU 33 -11.237 2.071 -1.160 265 H ALA 34 H ALA 34 -12.666 -2.376 0.101 266 HA ALA 34 HA ALA 34 -15.566 -2.924 -0.096 267 1HB ALA 34 1HB ALA 34 -12.981 -4.088 -0.982 268 2HB ALA 34 3HB ALA 34 -14.256 -5.259 -0.642 269 3HB ALA 34 2HB ALA 34 -14.518 -3.994 -1.841 270 H VAL 35 H VAL 35 -12.778 -3.649 1.893 271 HA VAL 35 HA VAL 35 -13.916 -5.754 3.490 272 HB VAL 35 HB VAL 35 -11.588 -3.938 3.410 273 1HG1 VAL 35 2HG1 VAL 35 -12.418 -3.401 5.669 274 2HG1 VAL 35 1HG1 VAL 35 -12.459 -5.120 6.059 275 3HG1 VAL 35 3HG1 VAL 35 -10.917 -4.324 5.740 276 1HG2 VAL 35 1HG2 VAL 35 -11.544 -6.291 2.668 277 2HG2 VAL 35 3HG2 VAL 35 -10.411 -6.018 3.992 278 3HG2 VAL 35 2HG2 VAL 35 -11.955 -6.809 4.303 279 H ALA 36 H ALA 36 -13.810 -2.203 3.777 280 HA ALA 36 HA ALA 36 -15.148 -2.068 6.341 281 1HB ALA 36 3HB ALA 36 -13.906 -0.366 4.448 282 2HB ALA 36 2HB ALA 36 -15.559 0.226 4.617 283 3HB ALA 36 1HB ALA 36 -14.520 0.091 6.037 284 H LYS 37 H LYS 37 -16.168 -2.322 2.999 285 HA LYS 37 HA LYS 37 -18.944 -1.588 3.453 286 1HB LYS 37 2HB LYS 37 -18.548 -1.379 1.220 287 2HB LYS 37 1HB LYS 37 -17.125 -2.408 1.311 288 1HG LYS 37 2HG LYS 37 -18.708 -4.400 1.361 289 2HG LYS 37 1HG LYS 37 -20.007 -3.273 0.968 290 1HD LYS 37 2HD LYS 37 -18.195 -2.555 -0.912 291 2HD LYS 37 1HD LYS 37 -17.781 -4.259 -0.732 292 1HE LYS 37 2HE LYS 37 -20.672 -3.883 -0.819 293 2HE LYS 37 1HE LYS 37 -19.881 -3.252 -2.277 294 1HZ LYS 37 2HZ LYS 37 -19.356 -5.915 -1.063 295 2HZ LYS 37 1HZ LYS 37 -20.310 -5.648 -2.444 296 3HZ LYS 37 3HZ LYS 37 -18.649 -5.305 -2.482 297 H ARG 38 H ARG 38 -17.039 -4.516 3.712 298 HA ARG 38 HA ARG 38 -19.352 -6.315 3.843 299 1HB ARG 38 2HB ARG 38 -16.468 -6.735 4.697 300 2HB ARG 38 1HB ARG 38 -17.631 -7.975 4.228 301 1HG ARG 38 2HG ARG 38 -17.360 -5.946 2.162 302 2HG ARG 38 1HG ARG 38 -15.807 -6.693 2.539 303 1HD ARG 38 2HD ARG 38 -18.022 -8.630 2.364 304 2HD ARG 38 1HD ARG 38 -17.675 -7.790 0.838 305 HE ARG 38 HE ARG 38 -15.374 -8.867 2.381 306 1HH1 ARG 38 2HH1 ARG 38 -16.240 -7.961 -0.647 307 2HH1 ARG 38 1HH1 ARG 38 -15.778 -9.424 -1.451 308 1HH2 ARG 38 1HH2 ARG 38 -15.308 -11.202 1.490 309 2HH2 ARG 38 2HH2 ARG 38 -15.250 -11.259 -0.241 310 H ILE 39 H ILE 39 -17.193 -4.582 6.013 311 HA ILE 39 HA ILE 39 -17.956 -5.785 8.496 312 HB ILE 39 HB ILE 39 -16.881 -3.103 7.606 313 1HG1 ILE 39 2HG1 ILE 39 -15.543 -5.322 7.590 314 2HG1 ILE 39 1HG1 ILE 39 -14.800 -3.930 8.373 315 1HG2 ILE 39 1HG2 ILE 39 -18.093 -3.784 10.164 316 2HG2 ILE 39 3HG2 ILE 39 -16.399 -3.338 10.348 317 3HG2 ILE 39 2HG2 ILE 39 -17.524 -2.220 9.580 318 1HD1 ILE 39 3HD1 ILE 39 -16.514 -5.704 10.054 319 2HD1 ILE 39 2HD1 ILE 39 -14.924 -6.307 9.586 320 3HD1 ILE 39 1HD1 ILE 39 -15.064 -4.802 10.492 321 H GLU 40 H GLU 40 -19.174 -2.918 6.758 322 HA GLU 40 HA GLU 40 -21.232 -2.245 8.641 323 1HB GLU 40 2HB GLU 40 -22.129 -0.977 6.685 324 2HB GLU 40 1HB GLU 40 -20.392 -0.742 6.872 325 1HG GLU 40 2HG GLU 40 -19.910 -2.304 5.111 326 2HG GLU 40 1HG GLU 40 -21.592 -2.828 5.037 327 H ALA 41 H ALA 41 -21.016 -4.491 5.935 328 HA ALA 41 HA ALA 41 -23.755 -5.181 5.623 329 1HB ALA 41 3HB ALA 41 -21.290 -5.959 4.630 330 2HB ALA 41 2HB ALA 41 -21.812 -7.395 5.513 331 3HB ALA 41 1HB ALA 41 -22.823 -6.734 4.228 332 H LEU 42 H LEU 42 -21.311 -6.203 7.955 333 HA LEU 42 HA LEU 42 -23.041 -8.158 9.291 334 1HB LEU 42 2HB LEU 42 -20.352 -6.870 9.825 335 2HB LEU 42 1HB LEU 42 -21.079 -7.988 10.966 336 HG LEU 42 HG LEU 42 -20.047 -9.623 9.795 337 1HD1 LEU 42 1HD1 LEU 42 -22.358 -9.896 8.903 338 2HD1 LEU 42 3HD1 LEU 42 -21.927 -8.866 7.538 339 3HD1 LEU 42 2HD1 LEU 42 -21.130 -10.423 7.752 340 1HD2 LEU 42 3HD2 LEU 42 -19.153 -7.347 8.434 341 2HD2 LEU 42 2HD2 LEU 42 -18.466 -8.969 8.347 342 3HD2 LEU 42 1HD2 LEU 42 -19.678 -8.460 7.171 343 H GLU 43 H GLU 43 -22.162 -4.769 9.645 344 HA GLU 43 HA GLU 43 -23.236 -4.403 12.310 345 1HB GLU 43 2HB GLU 43 -22.771 -2.498 9.989 346 2HB GLU 43 1HB GLU 43 -23.009 -2.016 11.669 347 1HG GLU 43 2HG GLU 43 -21.021 -3.924 11.852 348 2HG GLU 43 1HG GLU 43 -20.616 -3.075 10.361 349 H ASN 44 H ASN 44 -24.591 -4.796 9.189 350 HA ASN 44 HA ASN 44 -27.083 -3.337 9.658 351 1HB ASN 44 2HB ASN 44 -25.958 -5.259 7.625 352 2HB ASN 44 1HB ASN 44 -27.673 -4.844 7.585 353 1HD2 ASN 44 2HD2 ASN 44 -26.948 -1.321 6.904 354 2HD2 ASN 44 1HD2 ASN 44 -27.955 -2.250 7.905 355 H LYS 45 H LYS 45 -25.783 -6.388 10.546 356 HA LYS 45 HA LYS 45 -28.512 -7.399 11.271 357 1HB LYS 45 2HB LYS 45 -26.173 -9.238 11.210 358 2HB LYS 45 1HB LYS 45 -27.816 -9.503 10.641 359 1HG LYS 45 2HG LYS 45 -25.599 -8.003 9.225 360 2HG LYS 45 1HG LYS 45 -26.406 -9.479 8.697 361 1HD LYS 45 2HD LYS 45 -28.392 -7.466 9.168 362 2HD LYS 45 1HD LYS 45 -27.140 -6.793 8.125 363 1HE LYS 45 2HE LYS 45 -27.445 -8.475 6.475 364 2HE LYS 45 1HE LYS 45 -28.343 -9.520 7.592 365 1HZ LYS 45 1HZ LYS 45 -29.216 -6.826 6.687 366 2HZ LYS 45 3HZ LYS 45 -29.841 -8.294 6.113 367 3HZ LYS 45 2HZ LYS 45 -30.072 -7.852 7.737 368 H ILE 46 H ILE 46 -25.470 -6.298 12.417 369 HA ILE 46 HA ILE 46 -25.848 -7.596 15.078 370 HB ILE 46 HB ILE 46 -23.571 -6.048 13.789 371 1HG1 ILE 46 2HG1 ILE 46 -23.302 -8.115 12.810 372 2HG1 ILE 46 1HG1 ILE 46 -22.540 -8.480 14.353 373 1HG2 ILE 46 1HG2 ILE 46 -23.927 -7.212 16.543 374 2HG2 ILE 46 3HG2 ILE 46 -22.323 -7.018 15.835 375 3HG2 ILE 46 2HG2 ILE 46 -23.351 -5.608 16.088 376 1HD1 ILE 46 1HD1 ILE 46 -24.672 -9.383 15.209 377 2HD1 ILE 46 3HD1 ILE 46 -25.447 -9.022 13.666 378 3HD1 ILE 46 2HD1 ILE 46 -24.168 -10.232 13.748 379 H ILE 47 HN ILE 47 -26.333 -4.642 13.391 380 HA ILE 47 HA ILE 47 -25.888 -2.631 15.305 381 HB ILE 47 HB ILE 47 -26.579 -2.084 13.087 382 1HG1 ILE 47 2HG1 ILE 47 -29.191 -1.508 14.388 383 2HG1 ILE 47 1HG1 ILE 47 -27.754 -0.923 15.228 384 1HG2 ILE 47 1HG2 ILE 47 -28.359 -4.311 13.498 385 2HG2 ILE 47 3HG2 ILE 47 -29.285 -2.920 12.935 386 3HG2 ILE 47 2HG2 ILE 47 -27.923 -3.514 11.986 387 1HD1 ILE 47 3HD1 ILE 47 -27.000 0.125 13.071 388 2HD1 ILE 47 2HD1 ILE 47 -28.552 -0.328 12.367 389 3HD1 ILE 47 1HD1 ILE 47 -28.495 0.814 13.708 390 1H GLY 1 2H GLY 1 8.011 22.201 -29.172 391 2H GLY 1 1H GLY 1 7.239 20.689 -29.096 392 3H GLY 1 3H GLY 1 6.544 21.951 -29.991 393 1HA GLY 1 2HA GLY 1 5.469 22.723 -28.232 394 2HA GLY 1 1HA GLY 1 6.033 21.298 -27.358 395 H SER 2 H SER 2 5.835 24.433 -26.878 396 HA SER 2 HA SER 2 8.477 25.369 -26.311 397 1HB SER 2 2HB SER 2 6.279 26.644 -26.461 398 2HB SER 2 1HB SER 2 5.903 26.034 -24.853 399 HG SER 2 HG SER 2 8.356 27.315 -25.390 400 H HIS 3 H HIS 3 9.752 23.912 -25.107 401 HA HIS 3 HA HIS 3 8.793 23.356 -22.321 402 1HB HIS 3 2HB HIS 3 9.566 21.559 -24.513 403 2HB HIS 3 1HB HIS 3 10.421 21.224 -23.008 404 HD1 HIS 3 HD1 HIS 3 8.579 21.383 -20.818 405 HD2 HIS 3 HD2 HIS 3 7.185 20.175 -24.558 406 HE1 HIS 3 HE1 HIS 3 6.401 20.157 -20.409 407 H MET 4 H MET 4 10.294 23.932 -20.789 408 HA MET 4 HA MET 4 12.900 25.002 -21.673 409 1HB MET 4 2HB MET 4 11.527 24.783 -18.972 410 2HB MET 4 1HB MET 4 12.990 25.712 -19.290 411 1HG MET 4 2HG MET 4 10.539 26.203 -20.954 412 2HG MET 4 1HG MET 4 10.657 26.920 -19.348 413 1HE MET 4 2HE MET 4 11.214 28.986 -19.046 414 2HE MET 4 1HE MET 4 12.866 28.541 -18.625 415 3HE MET 4 3HE MET 4 12.561 29.916 -19.696 416 H GLU 5 H GLU 5 14.463 24.394 -19.421 417 HA GLU 5 HA GLU 5 15.728 21.984 -20.026 418 1HB GLU 5 2HB GLU 5 16.597 23.709 -18.510 419 2HB GLU 5 1HB GLU 5 15.331 23.342 -17.338 420 1HG GLU 5 2HG GLU 5 16.311 21.354 -16.688 421 2HG GLU 5 1HG GLU 5 17.060 21.088 -18.262 422 H GLU 6 H GLU 6 15.571 19.836 -19.120 423 HA GLU 6 HA GLU 6 13.056 19.238 -17.617 424 1HB GLU 6 2HB GLU 6 12.672 17.368 -19.188 425 2HB GLU 6 1HB GLU 6 12.728 18.908 -20.049 426 1HG GLU 6 2HG GLU 6 15.156 18.482 -20.527 427 2HG GLU 6 1HG GLU 6 14.967 16.879 -19.814 428 H ASP 7 H ASP 7 13.495 17.919 -15.892 429 HA ASP 7 HA ASP 7 15.953 17.128 -14.953 430 1HB ASP 7 2HB ASP 7 13.454 16.856 -14.118 431 2HB ASP 7 1HB ASP 7 13.645 15.221 -14.753 432 HA PRO 8 HA PRO 8 17.366 14.160 -17.909 433 1HB PRO 8 2HB PRO 8 19.479 13.195 -16.461 434 2HB PRO 8 1HB PRO 8 19.505 14.773 -17.272 435 1HG PRO 8 2HG PRO 8 19.076 14.127 -14.405 436 2HG PRO 8 1HG PRO 8 19.931 15.491 -15.143 437 1HD PRO 8 2HD PRO 8 17.397 15.645 -14.099 438 2HD PRO 8 1HD PRO 8 18.029 16.731 -15.356 439 H CYS 9 H CYS 9 17.614 12.969 -14.527 440 HA CYS 9 HA CYS 9 16.125 10.516 -15.390 441 1HB CYS 9 2HB CYS 9 18.660 10.970 -13.850 442 2HB CYS 9 1HB CYS 9 17.677 9.556 -13.466 443 H GLU 10 H GLU 10 14.938 12.890 -14.216 444 HA GLU 10 HA GLU 10 13.701 13.614 -12.327 445 1HB GLU 10 2HB GLU 10 13.239 10.647 -12.675 446 2HB GLU 10 1HB GLU 10 12.288 11.618 -11.551 447 1HG GLU 10 2HG GLU 10 11.188 12.733 -13.222 448 2HG GLU 10 1HG GLU 10 12.582 12.701 -14.303 449 H CYS 11 H CYS 11 16.346 13.397 -11.497 450 HA CYS 11 HA CYS 11 17.020 11.624 -9.453 451 1HB CYS 11 2HB CYS 11 17.623 14.457 -10.168 452 2HB CYS 11 1HB CYS 11 18.144 13.901 -8.575 453 H LYS 12 H LYS 12 14.780 14.330 -9.376 454 HA LYS 12 HA LYS 12 14.255 13.766 -6.475 455 1HB LYS 12 2HB LYS 12 13.768 16.310 -8.060 456 2HB LYS 12 1HB LYS 12 13.668 16.120 -6.309 457 1HG LYS 12 2HG LYS 12 15.822 16.838 -6.310 458 2HG LYS 12 1HG LYS 12 16.202 15.193 -6.822 459 1HD LYS 12 2HD LYS 12 16.962 15.971 -8.791 460 2HD LYS 12 1HD LYS 12 15.382 16.680 -9.128 461 1HE LYS 12 2HE LYS 12 16.670 18.615 -9.115 462 2HE LYS 12 1HE LYS 12 16.287 18.524 -7.385 463 1HZ LYS 12 1HZ LYS 12 18.603 17.093 -8.539 464 2HZ LYS 12 3HZ LYS 12 18.735 18.700 -8.016 465 3HZ LYS 12 2HZ LYS 12 18.306 17.482 -6.912 466 H SER 13 H SER 13 12.983 13.634 -9.635 467 HA SER 13 HA SER 13 10.169 14.035 -8.916 468 1HB SER 13 2HB SER 13 11.838 13.391 -11.299 469 2HB SER 13 1HB SER 13 10.153 12.892 -11.368 470 HG SER 13 HG SER 13 9.688 15.118 -10.687 471 H ILE 14 H ILE 14 12.407 11.362 -9.146 472 HA ILE 14 HA ILE 14 10.333 9.276 -9.084 473 HB ILE 14 HB ILE 14 13.351 9.361 -8.857 474 1HG1 ILE 14 2HG1 ILE 14 11.738 8.180 -11.093 475 2HG1 ILE 14 1HG1 ILE 14 11.994 9.916 -11.024 476 1HG2 ILE 14 3HG2 ILE 14 12.372 7.380 -7.677 477 2HG2 ILE 14 2HG2 ILE 14 11.567 6.928 -9.180 478 3HG2 ILE 14 1HG2 ILE 14 13.329 6.937 -9.091 479 1HD1 ILE 14 1HD1 ILE 14 14.193 7.835 -10.973 480 2HD1 ILE 14 3HD1 ILE 14 13.747 8.807 -12.374 481 3HD1 ILE 14 2HD1 ILE 14 14.425 9.583 -10.943 482 H VAL 15 H VAL 15 12.629 10.804 -6.880 483 HA VAL 15 HA VAL 15 11.898 9.065 -4.625 484 HB VAL 15 HB VAL 15 13.347 11.677 -4.312 485 1HG1 VAL 15 2HG1 VAL 15 13.804 8.835 -3.355 486 2HG1 VAL 15 1HG1 VAL 15 14.818 10.212 -2.921 487 3HG1 VAL 15 3HG1 VAL 15 13.130 10.161 -2.407 488 1HG2 VAL 15 2HG2 VAL 15 14.278 9.352 -5.996 489 2HG2 VAL 15 1HG2 VAL 15 14.401 11.078 -6.338 490 3HG2 VAL 15 3HG2 VAL 15 15.444 10.344 -5.120 491 H LYS 16 H LYS 16 10.879 12.002 -6.110 492 HA LYS 16 HA LYS 16 9.492 13.175 -3.834 493 1HB LYS 16 2HB LYS 16 10.065 14.622 -5.635 494 2HB LYS 16 1HB LYS 16 9.501 13.469 -6.845 495 1HG LYS 16 2HG LYS 16 7.392 14.243 -4.985 496 2HG LYS 16 1HG LYS 16 8.054 15.622 -5.860 497 1HD LYS 16 2HD LYS 16 7.833 14.092 -7.961 498 2HD LYS 16 1HD LYS 16 6.720 13.159 -6.959 499 1HE LYS 16 2HE LYS 16 6.320 16.116 -6.984 500 2HE LYS 16 1HE LYS 16 5.868 15.230 -8.453 501 1HZ LYS 16 3HZ LYS 16 4.936 13.579 -6.608 502 2HZ LYS 16 2HZ LYS 16 4.765 15.040 -5.761 503 3HZ LYS 16 1HZ LYS 16 4.000 14.830 -7.263 504 H PHE 17 H PHE 17 8.653 11.170 -6.635 505 HA PHE 17 HA PHE 17 5.863 10.825 -6.038 506 1HB PHE 17 2HB PHE 17 6.465 10.232 -8.209 507 2HB PHE 17 1HB PHE 17 8.011 9.559 -7.701 508 HD1 PHE 17 HD1 PHE 17 8.012 7.339 -6.431 509 HD2 PHE 17 HD2 PHE 17 4.582 8.841 -8.533 510 HE1 PHE 17 HE1 PHE 17 7.032 5.063 -6.455 511 HE2 PHE 17 HE2 PHE 17 3.603 6.570 -8.557 512 HZ PHE 17 HZ PHE 17 4.825 4.676 -7.519 513 H GLN 18 H GLN 18 8.842 9.246 -4.985 514 HA GLN 18 HA GLN 18 7.759 6.910 -3.769 515 1HB GLN 18 2HB GLN 18 10.160 8.673 -3.389 516 2HB GLN 18 1HB GLN 18 9.863 7.375 -2.231 517 1HG GLN 18 2HG GLN 18 9.662 5.798 -4.205 518 2HG GLN 18 1HG GLN 18 10.242 7.115 -5.222 519 1HE2 GLN 18 2HE2 GLN 18 13.299 6.996 -2.847 520 2HE2 GLN 18 1HE2 GLN 18 11.955 8.030 -2.791 521 H THR 19 H THR 19 8.297 10.168 -2.435 522 HA THR 19 HA THR 19 7.377 9.679 0.220 523 HB THR 19 HB THR 19 7.495 12.058 -1.637 524 HG1 THR 19 HG1 THR 19 9.273 10.902 -0.339 525 1HG2 THR 19 3HG2 THR 19 6.055 11.810 0.939 526 2HG2 THR 19 2HG2 THR 19 7.119 13.208 0.796 527 3HG2 THR 19 1HG2 THR 19 5.823 12.962 -0.374 528 H LYS 20 H LYS 20 5.615 10.343 -2.785 529 HA LYS 20 HA LYS 20 3.043 10.824 -1.577 530 1HB LYS 20 2HB LYS 20 2.424 11.054 -3.780 531 2HB LYS 20 1HB LYS 20 4.159 10.996 -4.073 532 1HG LYS 20 2HG LYS 20 3.319 9.384 -5.566 533 2HG LYS 20 1HG LYS 20 3.818 8.411 -4.184 534 1HD LYS 20 2HD LYS 20 1.706 7.573 -4.309 535 2HD LYS 20 1HD LYS 20 1.270 9.055 -3.457 536 1HE LYS 20 2HE LYS 20 1.382 9.846 -6.133 537 2HE LYS 20 1HE LYS 20 0.606 8.251 -6.182 538 1HZ LYS 20 3HZ LYS 20 -0.837 8.965 -4.354 539 2HZ LYS 20 2HZ LYS 20 -0.139 10.513 -4.402 540 3HZ LYS 20 1HZ LYS 20 -1.042 9.943 -5.724 541 H VAL 21 H VAL 21 4.840 7.967 -2.510 542 HA VAL 21 HA VAL 21 2.640 6.089 -2.075 543 HB VAL 21 HB VAL 21 5.557 6.083 -2.735 544 1HG1 VAL 21 1HG1 VAL 21 4.056 3.683 -1.655 545 2HG1 VAL 21 3HG1 VAL 21 5.564 3.570 -2.564 546 3HG1 VAL 21 2HG1 VAL 21 5.533 4.395 -1.006 547 1HG2 VAL 21 1HG2 VAL 21 3.583 6.114 -4.370 548 2HG2 VAL 21 3HG2 VAL 21 4.818 4.886 -4.655 549 3HG2 VAL 21 2HG2 VAL 21 3.294 4.445 -3.883 550 H GLU 22 H GLU 22 5.008 7.711 -0.158 551 HA GLU 22 HA GLU 22 5.147 5.829 2.042 552 1HB GLU 22 2HB GLU 22 5.949 8.631 1.390 553 2HB GLU 22 1HB GLU 22 5.897 8.190 3.095 554 1HG GLU 22 2HG GLU 22 7.293 6.440 1.075 555 2HG GLU 22 1HG GLU 22 8.121 7.805 1.830 556 H GLU 23 H GLU 23 3.368 8.885 1.503 557 HA GLU 23 HA GLU 23 1.909 8.759 4.002 558 1HB GLU 23 2HB GLU 23 1.244 10.187 1.407 559 2HB GLU 23 1HB GLU 23 0.688 10.628 3.022 560 1HG GLU 23 2HG GLU 23 3.432 10.532 3.337 561 2HG GLU 23 1HG GLU 23 3.253 11.197 1.712 562 H LEU 24 H LEU 24 1.262 7.666 0.686 563 HA LEU 24 HA LEU 24 -1.504 6.981 1.055 564 1HB LEU 24 2HB LEU 24 0.151 7.176 -1.034 565 2HB LEU 24 1HB LEU 24 0.319 5.440 -0.760 566 HG LEU 24 HG LEU 24 -2.096 5.140 -0.929 567 1HD1 LEU 24 1HD1 LEU 24 -2.030 8.074 -0.668 568 2HD1 LEU 24 3HD1 LEU 24 -3.148 7.484 -1.899 569 3HD1 LEU 24 2HD1 LEU 24 -3.303 6.935 -0.230 570 1HD2 LEU 24 3HD2 LEU 24 -0.445 5.596 -3.005 571 2HD2 LEU 24 2HD2 LEU 24 -2.161 5.256 -3.227 572 3HD2 LEU 24 1HD2 LEU 24 -1.580 6.921 -3.263 573 H ILE 25 H ILE 25 1.478 5.013 1.219 574 HA ILE 25 HA ILE 25 0.303 2.536 1.919 575 HB ILE 25 HB ILE 25 2.906 3.873 1.930 576 1HG1 ILE 25 2HG1 ILE 25 3.626 1.769 1.028 577 2HG1 ILE 25 1HG1 ILE 25 2.226 0.933 1.701 578 1HG2 ILE 25 3HG2 ILE 25 2.428 1.707 4.002 579 2HG2 ILE 25 2HG2 ILE 25 4.012 2.306 3.508 580 3HG2 ILE 25 1HG2 ILE 25 2.882 3.378 4.338 581 1HD1 ILE 25 2HD1 ILE 25 1.486 3.199 -0.001 582 2HD1 ILE 25 1HD1 ILE 25 2.397 1.961 -0.864 583 3HD1 ILE 25 3HD1 ILE 25 0.903 1.534 -0.030 584 H ASN 26 H ASN 26 1.199 5.315 3.960 585 HA ASN 26 HA ASN 26 0.708 4.076 6.502 586 1HB ASN 26 2HB ASN 26 1.826 6.331 5.779 587 2HB ASN 26 1HB ASN 26 0.187 6.975 5.865 588 1HD2 ASN 26 2HD2 ASN 26 0.335 7.291 9.360 589 2HD2 ASN 26 1HD2 ASN 26 -0.336 7.807 7.888 590 H THR 27 H THR 27 -1.360 6.013 4.358 591 HA THR 27 HA THR 27 -3.725 6.017 5.953 592 HB THR 27 HB THR 27 -3.143 6.146 2.985 593 HG1 THR 27 HG1 THR 27 -2.495 7.826 4.547 594 1HG2 THR 27 2HG2 THR 27 -5.649 5.648 4.219 595 2HG2 THR 27 1HG2 THR 27 -5.663 7.330 3.689 596 3HG2 THR 27 3HG2 THR 27 -5.339 6.041 2.528 597 H LEU 28 H LEU 28 -2.378 3.616 3.734 598 HA LEU 28 HA LEU 28 -4.770 1.980 3.559 599 1HB LEU 28 2HB LEU 28 -1.838 1.742 2.936 600 2HB LEU 28 1HB LEU 28 -2.838 0.291 2.891 601 HG LEU 28 HG LEU 28 -3.924 2.693 1.514 602 1HD1 LEU 28 2HD1 LEU 28 -1.271 1.728 0.978 603 2HD1 LEU 28 1HD1 LEU 28 -2.313 1.302 -0.378 604 3HD1 LEU 28 3HD1 LEU 28 -2.171 2.985 0.128 605 1HD2 LEU 28 3HD2 LEU 28 -3.982 -0.286 1.311 606 2HD2 LEU 28 2HD2 LEU 28 -5.305 0.873 1.191 607 3HD2 LEU 28 1HD2 LEU 28 -4.220 0.630 -0.178 608 H GLN 29 H GLN 29 -1.809 1.868 5.531 609 HA GLN 29 HA GLN 29 -2.568 -0.493 7.027 610 1HB GLN 29 2HB GLN 29 -0.282 0.754 6.603 611 2HB GLN 29 1HB GLN 29 -0.751 1.691 8.021 612 1HG GLN 29 2HG GLN 29 -1.259 -0.754 8.990 613 2HG GLN 29 1HG GLN 29 -0.017 -1.193 7.817 614 1HE2 GLN 29 2HE2 GLN 29 2.536 -0.144 9.983 615 2HE2 GLN 29 1HE2 GLN 29 2.013 -1.212 8.771 616 H GLN 30 H GLN 30 -3.612 2.740 7.023 617 HA GLN 30 HA GLN 30 -4.362 2.921 9.858 618 1HB GLN 30 2HB GLN 30 -4.695 4.538 7.335 619 2HB GLN 30 1HB GLN 30 -5.568 4.986 8.799 620 1HG GLN 30 2HG GLN 30 -2.775 4.401 9.358 621 2HG GLN 30 1HG GLN 30 -2.944 5.684 8.163 622 1HE2 GLN 30 2HE2 GLN 30 -3.262 6.936 11.791 623 2HE2 GLN 30 1HE2 GLN 30 -2.183 5.807 11.129 624 H LYS 31 H LYS 31 -6.094 2.767 6.737 625 HA LYS 31 HA LYS 31 -8.709 2.355 7.864 626 1HB LYS 31 2HB LYS 31 -7.332 2.279 5.259 627 2HB LYS 31 1HB LYS 31 -8.711 1.183 5.358 628 1HG LYS 31 2HG LYS 31 -10.159 3.018 6.079 629 2HG LYS 31 1HG LYS 31 -8.788 4.127 6.083 630 1HD LYS 31 2HD LYS 31 -8.502 3.398 3.593 631 2HD LYS 31 1HD LYS 31 -10.171 2.848 3.735 632 1HE LYS 31 2HE LYS 31 -11.001 5.012 4.036 633 2HE LYS 31 1HE LYS 31 -9.453 5.625 4.656 634 1HZ LYS 31 3HZ LYS 31 -9.854 4.622 1.889 635 2HZ LYS 31 2HZ LYS 31 -9.910 6.266 2.313 636 3HZ LYS 31 1HZ LYS 31 -8.472 5.384 2.510 637 H LEU 32 H LEU 32 -5.963 0.311 7.429 638 HA LEU 32 HA LEU 32 -7.399 -2.234 7.426 639 1HB LEU 32 2HB LEU 32 -5.034 -1.516 6.537 640 2HB LEU 32 1HB LEU 32 -4.522 -1.795 8.200 641 HG LEU 32 HG LEU 32 -5.292 -4.089 8.119 642 1HD1 LEU 32 1HD1 LEU 32 -6.536 -3.156 5.551 643 2HD1 LEU 32 3HD1 LEU 32 -6.075 -4.850 5.713 644 3HD1 LEU 32 2HD1 LEU 32 -7.237 -4.141 6.834 645 1HD2 LEU 32 2HD2 LEU 32 -3.656 -3.189 5.738 646 2HD2 LEU 32 1HD2 LEU 32 -3.078 -3.860 7.263 647 3HD2 LEU 32 3HD2 LEU 32 -3.916 -4.895 6.106 648 H GLU 33 H GLU 33 -5.443 -0.410 9.813 649 HA GLU 33 HA GLU 33 -5.866 -2.230 11.998 650 1HB GLU 33 2HB GLU 33 -5.304 0.757 11.941 651 2HB GLU 33 1HB GLU 33 -5.028 -0.309 13.318 652 1HG GLU 33 2HG GLU 33 -3.798 -1.192 10.775 653 2HG GLU 33 1HG GLU 33 -3.122 0.283 11.466 654 H ALA 34 H ALA 34 -7.866 0.137 10.481 655 HA ALA 34 HA ALA 34 -9.684 0.450 12.794 656 1HB ALA 34 1HB ALA 34 -9.232 1.619 10.097 657 2HB ALA 34 3HB ALA 34 -10.912 1.586 10.634 658 3HB ALA 34 2HB ALA 34 -9.694 2.420 11.598 659 H VAL 35 H VAL 35 -9.345 -1.275 9.782 660 HA VAL 35 HA VAL 35 -12.029 -2.299 9.549 661 HB VAL 35 HB VAL 35 -9.304 -2.708 8.428 662 1HG1 VAL 35 2HG1 VAL 35 -9.973 -5.028 8.983 663 2HG1 VAL 35 1HG1 VAL 35 -11.465 -4.798 8.069 664 3HG1 VAL 35 3HG1 VAL 35 -9.907 -4.754 7.243 665 1HG2 VAL 35 2HG2 VAL 35 -12.092 -2.492 7.266 666 2HG2 VAL 35 1HG2 VAL 35 -10.900 -1.197 7.377 667 3HG2 VAL 35 3HG2 VAL 35 -10.611 -2.571 6.310 668 H ALA 36 H ALA 36 -9.032 -3.493 11.068 669 HA ALA 36 HA ALA 36 -10.136 -6.026 11.931 670 1HB ALA 36 3HB ALA 36 -7.664 -4.703 11.842 671 2HB ALA 36 2HB ALA 36 -7.989 -4.902 13.563 672 3HB ALA 36 1HB ALA 36 -7.953 -6.310 12.504 673 H LYS 37 H LYS 37 -10.145 -2.747 13.140 674 HA LYS 37 HA LYS 37 -10.930 -3.403 15.867 675 1HB LYS 37 2HB LYS 37 -10.045 -1.298 15.868 676 2HB LYS 37 1HB LYS 37 -10.356 -1.088 14.149 677 1HG LYS 37 2HG LYS 37 -12.791 -0.668 14.751 678 2HG LYS 37 1HG LYS 37 -12.282 -0.617 16.440 679 1HD LYS 37 2HD LYS 37 -10.459 1.069 15.399 680 2HD LYS 37 1HD LYS 37 -11.767 1.326 14.243 681 1HE LYS 37 2HE LYS 37 -12.813 1.273 16.955 682 2HE LYS 37 1HE LYS 37 -11.547 2.506 16.788 683 1HZ LYS 37 3HZ LYS 37 -12.630 3.230 14.719 684 2HZ LYS 37 2HZ LYS 37 -13.890 2.123 14.995 685 3HZ LYS 37 1HZ LYS 37 -13.644 3.419 16.065 686 H ARG 38 H ARG 38 -12.581 -2.833 12.822 687 HA ARG 38 HA ARG 38 -15.227 -2.584 14.064 688 1HB ARG 38 2HB ARG 38 -14.506 -3.152 11.174 689 2HB ARG 38 1HB ARG 38 -15.939 -2.331 11.792 690 1HG ARG 38 2HG ARG 38 -13.590 -0.975 12.751 691 2HG ARG 38 1HG ARG 38 -13.495 -1.142 10.997 692 1HD ARG 38 2HD ARG 38 -16.178 -0.382 11.929 693 2HD ARG 38 1HD ARG 38 -14.931 0.821 12.309 694 HE ARG 38 HE ARG 38 -14.845 -0.292 9.578 695 1HH1 ARG 38 2HH1 ARG 38 -14.066 2.435 11.110 696 2HH1 ARG 38 1HH1 ARG 38 -14.999 3.529 10.143 697 1HH2 ARG 38 1HH2 ARG 38 -16.819 1.021 8.587 698 2HH2 ARG 38 2HH2 ARG 38 -16.558 2.729 8.718 699 H ILE 39 H ILE 39 -13.168 -5.037 12.631 700 HA ILE 39 HA ILE 39 -15.096 -7.135 12.313 701 HB ILE 39 HB ILE 39 -12.115 -6.947 12.763 702 1HG1 ILE 39 2HG1 ILE 39 -13.326 -6.322 10.567 703 2HG1 ILE 39 1HG1 ILE 39 -11.966 -7.436 10.447 704 1HG2 ILE 39 1HG2 ILE 39 -13.864 -9.334 12.924 705 2HG2 ILE 39 3HG2 ILE 39 -12.441 -9.501 11.895 706 3HG2 ILE 39 2HG2 ILE 39 -12.255 -9.067 13.594 707 1HD1 ILE 39 3HD1 ILE 39 -14.746 -8.509 10.815 708 2HD1 ILE 39 2HD1 ILE 39 -14.200 -8.011 9.215 709 3HD1 ILE 39 1HD1 ILE 39 -13.344 -9.287 10.081 710 H GLU 40 H GLU 40 -12.929 -6.245 15.004 711 HA GLU 40 HA GLU 40 -13.796 -8.313 16.807 712 1HB GLU 40 2HB GLU 40 -12.775 -6.775 18.501 713 2HB GLU 40 1HB GLU 40 -11.733 -7.008 17.100 714 1HG GLU 40 2HG GLU 40 -12.398 -4.889 16.161 715 2HG GLU 40 1HG GLU 40 -13.652 -4.683 17.385 716 H ALA 41 H ALA 41 -14.979 -5.079 16.015 717 HA ALA 41 HA ALA 41 -16.854 -4.709 18.119 718 1HB ALA 41 3HB ALA 41 -16.103 -3.472 15.737 719 2HB ALA 41 2HB ALA 41 -17.784 -3.920 15.449 720 3HB ALA 41 1HB ALA 41 -17.367 -2.902 16.828 721 H LEU 42 H LEU 42 -16.994 -6.595 15.140 722 HA LEU 42 HA LEU 42 -19.783 -7.419 15.497 723 1HB LEU 42 2HB LEU 42 -17.468 -8.207 13.714 724 2HB LEU 42 1HB LEU 42 -19.017 -9.030 13.628 725 HG LEU 42 HG LEU 42 -19.621 -7.441 12.138 726 1HD1 LEU 42 1HD1 LEU 42 -20.804 -6.553 14.140 727 2HD1 LEU 42 3HD1 LEU 42 -19.419 -5.512 14.472 728 3HD1 LEU 42 2HD1 LEU 42 -20.369 -5.274 13.004 729 1HD2 LEU 42 3HD2 LEU 42 -16.963 -6.702 12.670 730 2HD2 LEU 42 2HD2 LEU 42 -17.951 -6.212 11.292 731 3HD2 LEU 42 1HD2 LEU 42 -17.898 -5.208 12.742 732 H GLU 43 H GLU 43 -16.569 -8.673 16.236 733 HA GLU 43 HA GLU 43 -17.405 -11.343 16.973 734 1HB GLU 43 2HB GLU 43 -15.020 -9.646 17.794 735 2HB GLU 43 1HB GLU 43 -15.126 -11.399 17.934 736 1HG GLU 43 2HG GLU 43 -15.815 -10.976 15.303 737 2HG GLU 43 1HG GLU 43 -14.577 -9.751 15.576 738 H ASN 44 H ASN 44 -17.670 -8.259 18.431 739 HA ASN 44 HA ASN 44 -17.735 -9.148 21.218 740 1HB ASN 44 2HB ASN 44 -18.353 -6.653 19.642 741 2HB ASN 44 1HB ASN 44 -18.828 -6.756 21.339 742 1HD2 ASN 44 2HD2 ASN 44 -15.343 -7.055 22.434 743 2HD2 ASN 44 1HD2 ASN 44 -16.845 -7.791 22.731 744 H LYS 45 H LYS 45 -19.884 -9.150 18.544 745 HA LYS 45 HA LYS 45 -22.234 -9.629 20.344 746 1HB LYS 45 2HB LYS 45 -22.595 -9.041 17.444 747 2HB LYS 45 1HB LYS 45 -23.528 -8.470 18.823 748 1HG LYS 45 2HG LYS 45 -20.867 -7.425 17.833 749 2HG LYS 45 1HG LYS 45 -22.395 -6.554 17.943 750 1HD LYS 45 2HD LYS 45 -21.742 -7.625 20.527 751 2HD LYS 45 1HD LYS 45 -20.357 -6.725 19.906 752 1HE LYS 45 2HE LYS 45 -21.611 -4.721 19.674 753 2HE LYS 45 1HE LYS 45 -23.159 -5.580 19.799 754 1HZ LYS 45 1HZ LYS 45 -21.109 -5.500 21.948 755 2HZ LYS 45 3HZ LYS 45 -22.480 -4.502 21.905 756 3HZ LYS 45 2HZ LYS 45 -22.661 -6.185 22.046 757 H ILE 46 H ILE 46 -20.079 -10.986 18.031 758 HA ILE 46 HA ILE 46 -21.954 -13.215 17.381 759 HB ILE 46 HB ILE 46 -19.230 -12.397 16.303 760 1HG1 ILE 46 2HG1 ILE 46 -20.591 -10.848 15.264 761 2HG1 ILE 46 1HG1 ILE 46 -20.874 -12.205 14.182 762 1HG2 ILE 46 1HG2 ILE 46 -21.092 -14.668 15.612 763 2HG2 ILE 46 3HG2 ILE 46 -19.892 -14.065 14.469 764 3HG2 ILE 46 2HG2 ILE 46 -19.376 -14.743 16.013 765 1HD1 ILE 46 3HD1 ILE 46 -22.618 -11.570 16.580 766 2HD1 ILE 46 2HD1 ILE 46 -22.989 -11.081 14.928 767 3HD1 ILE 46 1HD1 ILE 46 -22.920 -12.793 15.345 768 H ILE 47 HN ILE 47 -19.305 -12.379 19.413 769 HA ILE 47 HA ILE 47 -17.856 -14.780 19.688 770 HB ILE 47 HB ILE 47 -17.171 -12.783 20.813 771 1HG1 ILE 47 2HG1 ILE 47 -18.205 -14.255 23.198 772 2HG1 ILE 47 1HG1 ILE 47 -17.174 -15.148 22.080 773 1HG2 ILE 47 1HG2 ILE 47 -19.981 -12.548 21.329 774 2HG2 ILE 47 3HG2 ILE 47 -19.122 -12.454 22.867 775 3HG2 ILE 47 2HG2 ILE 47 -18.721 -11.335 21.563 776 1HD1 ILE 47 3HD1 ILE 47 -15.525 -13.223 22.234 777 2HD1 ILE 47 2HD1 ILE 47 -16.509 -12.587 23.553 778 3HD1 ILE 47 1HD1 ILE 47 -15.720 -14.156 23.719 779 1H GLY 1 2H GLY 1 30.350 21.489 8.573 780 2H GLY 1 1H GLY 1 28.722 21.496 8.088 781 3H GLY 1 3H GLY 1 29.166 22.191 9.569 782 1HA GLY 1 2HA GLY 1 29.347 20.219 10.637 783 2HA GLY 1 1HA GLY 1 28.139 19.782 9.427 784 H SER 2 H SER 2 30.434 18.253 10.772 785 HA SER 2 HA SER 2 32.386 17.626 8.739 786 1HB SER 2 2HB SER 2 32.455 17.272 11.273 787 2HB SER 2 1HB SER 2 31.406 15.882 11.014 788 HG SER 2 HG SER 2 33.846 16.257 9.623 789 H HIS 3 H HIS 3 31.529 16.917 6.765 790 HA HIS 3 HA HIS 3 29.883 14.417 6.869 791 1HB HIS 3 2HB HIS 3 29.257 17.090 5.824 792 2HB HIS 3 1HB HIS 3 28.982 15.803 4.650 793 HD1 HIS 3 HD1 HIS 3 27.739 13.579 5.966 794 HD2 HIS 3 HD2 HIS 3 27.009 17.436 7.369 795 HE1 HIS 3 HE1 HIS 3 25.605 13.455 7.325 796 H MET 4 H MET 4 30.722 12.850 5.541 797 HA MET 4 HA MET 4 33.019 13.494 3.807 798 1HB MET 4 2HB MET 4 31.540 10.927 4.481 799 2HB MET 4 1HB MET 4 33.058 11.007 3.587 800 1HG MET 4 2HG MET 4 32.856 12.340 6.270 801 2HG MET 4 1HG MET 4 33.105 10.596 6.184 802 1HE MET 4 2HE MET 4 35.007 9.671 6.417 803 2HE MET 4 1HE MET 4 35.329 9.512 4.691 804 3HE MET 4 3HE MET 4 36.597 10.087 5.781 805 H GLU 5 H GLU 5 32.691 11.691 1.724 806 HA GLU 5 HA GLU 5 31.311 13.046 -0.270 807 1HB GLU 5 2HB GLU 5 32.823 11.192 -0.687 808 2HB GLU 5 1HB GLU 5 31.743 10.071 0.144 809 1HG GLU 5 2HG GLU 5 30.220 10.029 -1.597 810 2HG GLU 5 1HG GLU 5 30.644 11.650 -2.147 811 H GLU 6 H GLU 6 29.195 12.831 -1.201 812 HA GLU 6 HA GLU 6 27.161 11.390 0.459 813 1HB GLU 6 2HB GLU 6 25.763 13.411 0.348 814 2HB GLU 6 1HB GLU 6 27.328 13.806 1.063 815 1HG GLU 6 2HG GLU 6 28.110 14.495 -1.236 816 2HG GLU 6 1HG GLU 6 26.447 14.301 -1.791 817 H ASP 7 H ASP 7 25.786 10.210 -0.838 818 HA ASP 7 HA ASP 7 26.073 9.721 -3.536 819 1HB ASP 7 2HB ASP 7 24.463 8.827 -1.623 820 2HB ASP 7 1HB ASP 7 23.312 9.928 -2.382 821 HA PRO 8 HA PRO 8 24.890 13.519 -5.466 822 1HB PRO 8 2HB PRO 8 24.664 12.569 -8.023 823 2HB PRO 8 1HB PRO 8 26.227 12.872 -7.239 824 1HG PRO 8 2HG PRO 8 24.791 10.306 -7.668 825 2HG PRO 8 1HG PRO 8 26.525 10.655 -7.727 826 1HD PRO 8 2HD PRO 8 25.275 9.451 -5.607 827 2HD PRO 8 1HD PRO 8 26.786 10.377 -5.478 828 H CYS 9 H CYS 9 23.160 10.681 -6.823 829 HA CYS 9 HA CYS 9 20.590 12.161 -6.375 830 1HB CYS 9 2HB CYS 9 21.785 10.748 -8.726 831 2HB CYS 9 1HB CYS 9 20.036 10.655 -8.513 832 H GLU 10 H GLU 10 21.778 10.256 -4.540 833 HA GLU 10 HA GLU 10 21.358 8.168 -3.494 834 1HB GLU 10 2HB GLU 10 18.709 9.385 -4.295 835 2HB GLU 10 1HB GLU 10 18.799 7.943 -3.283 836 1HG GLU 10 2HG GLU 10 19.542 9.102 -1.471 837 2HG GLU 10 1HG GLU 10 20.575 10.148 -2.445 838 H CYS 11 H CYS 11 22.224 7.573 -6.069 839 HA CYS 11 HA CYS 11 20.525 6.213 -7.819 840 1HB CYS 11 2HB CYS 11 23.389 6.055 -7.001 841 2HB CYS 11 1HB CYS 11 22.761 4.732 -7.989 842 H LYS 12 H LYS 12 21.777 5.177 -4.698 843 HA LYS 12 HA LYS 12 20.305 2.582 -5.020 844 1HB LYS 12 2HB LYS 12 22.642 3.263 -3.206 845 2HB LYS 12 1HB LYS 12 21.977 1.659 -3.512 846 1HG LYS 12 2HG LYS 12 23.593 1.524 -5.103 847 2HG LYS 12 1HG LYS 12 22.500 2.523 -6.060 848 1HD LYS 12 2HD LYS 12 23.997 4.200 -6.056 849 2HD LYS 12 1HD LYS 12 23.976 4.228 -4.291 850 1HE LYS 12 2HE LYS 12 26.217 3.699 -4.660 851 2HE LYS 12 1HE LYS 12 25.527 2.065 -4.611 852 1HZ LYS 12 1HZ LYS 12 25.522 3.593 -7.130 853 2HZ LYS 12 3HZ LYS 12 26.927 2.771 -6.655 854 3HZ LYS 12 2HZ LYS 12 25.482 1.910 -6.898 855 H SER 13 H SER 13 20.401 5.561 -3.359 856 HA SER 13 HA SER 13 19.245 4.624 -0.831 857 1HB SER 13 2HB SER 13 20.058 7.171 -2.145 858 2HB SER 13 1HB SER 13 18.874 7.295 -0.851 859 HG SER 13 HG SER 13 20.330 6.600 0.557 860 H ILE 14 H ILE 14 18.070 5.817 -3.912 861 HA ILE 14 HA ILE 14 15.326 6.295 -2.977 862 HB ILE 14 HB ILE 14 16.741 6.207 -5.655 863 1HG1 ILE 14 2HG1 ILE 14 15.476 8.616 -4.385 864 2HG1 ILE 14 1HG1 ILE 14 17.045 8.066 -3.812 865 1HG2 ILE 14 3HG2 ILE 14 14.331 5.578 -5.873 866 2HG2 ILE 14 2HG2 ILE 14 13.894 7.092 -5.082 867 3HG2 ILE 14 1HG2 ILE 14 14.702 7.118 -6.649 868 1HD1 ILE 14 1HD1 ILE 14 16.370 8.711 -6.694 869 2HD1 ILE 14 3HD1 ILE 14 17.299 9.744 -5.607 870 3HD1 ILE 14 2HD1 ILE 14 17.942 8.178 -6.099 871 H VAL 15 H VAL 15 17.125 3.839 -4.766 872 HA VAL 15 HA VAL 15 14.755 2.181 -5.274 873 HB VAL 15 HB VAL 15 17.585 1.189 -5.465 874 1HG1 VAL 15 2HG1 VAL 15 15.045 1.004 -7.092 875 2HG1 VAL 15 1HG1 VAL 15 16.599 0.483 -7.744 876 3HG1 VAL 15 3HG1 VAL 15 15.937 -0.300 -6.309 877 1HG2 VAL 15 2HG2 VAL 15 16.423 3.518 -6.986 878 2HG2 VAL 15 1HG2 VAL 15 18.051 3.325 -6.331 879 3HG2 VAL 15 3HG2 VAL 15 17.570 2.438 -7.778 880 H LYS 16 H LYS 16 17.130 2.661 -2.829 881 HA LYS 16 HA LYS 16 16.907 0.068 -1.517 882 1HB LYS 16 2HB LYS 16 18.864 1.348 -1.082 883 2HB LYS 16 1HB LYS 16 17.938 2.831 -0.839 884 1HG LYS 16 2HG LYS 16 17.162 0.692 0.999 885 2HG LYS 16 1HG LYS 16 18.853 1.166 1.170 886 1HD LYS 16 2HD LYS 16 17.960 3.597 1.138 887 2HD LYS 16 1HD LYS 16 16.387 2.873 1.471 888 1HE LYS 16 2HE LYS 16 18.668 1.949 3.164 889 2HE LYS 16 1HE LYS 16 18.047 3.586 3.460 890 1HZ LYS 16 3HZ LYS 16 15.772 2.266 3.127 891 2HZ LYS 16 2HZ LYS 16 16.716 1.014 3.781 892 3HZ LYS 16 1HZ LYS 16 16.502 2.460 4.646 893 H PHE 17 H PHE 17 15.503 3.303 -1.134 894 HA PHE 17 HA PHE 17 13.785 2.691 1.095 895 1HB PHE 17 2HB PHE 17 14.075 4.969 0.710 896 2HB PHE 17 1HB PHE 17 14.096 4.771 -1.041 897 HD1 PHE 17 HD1 PHE 17 11.912 4.249 -2.238 898 HD2 PHE 17 HD2 PHE 17 12.078 5.557 1.848 899 HE1 PHE 17 HE1 PHE 17 9.521 4.887 -2.349 900 HE2 PHE 17 HE2 PHE 17 9.684 6.197 1.739 901 HZ PHE 17 HZ PHE 17 8.404 5.862 -0.361 902 H GLN 18 H GLN 18 13.573 2.304 -2.403 903 HA GLN 18 HA GLN 18 10.785 1.788 -2.672 904 1HB GLN 18 2HB GLN 18 13.314 1.034 -4.103 905 2HB GLN 18 1HB GLN 18 11.791 0.306 -4.618 906 1HG GLN 18 2HG GLN 18 10.842 2.673 -4.711 907 2HG GLN 18 1HG GLN 18 12.500 3.245 -4.532 908 1HE2 GLN 18 2HE2 GLN 18 13.027 1.098 -7.740 909 2HE2 GLN 18 1HE2 GLN 18 13.282 0.634 -6.128 910 H THR 19 H THR 19 13.495 -0.434 -2.006 911 HA THR 19 HA THR 19 12.004 -2.862 -1.897 912 HB THR 19 HB THR 19 14.548 -1.816 -0.650 913 HG1 THR 19 HG1 THR 19 14.076 -2.601 -2.949 914 1HG2 THR 19 3HG2 THR 19 13.024 -4.239 0.084 915 2HG2 THR 19 2HG2 THR 19 14.726 -4.515 -0.286 916 3HG2 THR 19 1HG2 THR 19 14.271 -3.378 0.983 917 H LYS 20 H LYS 20 12.502 -0.310 0.517 918 HA LYS 20 HA LYS 20 11.430 -1.768 2.763 919 1HB LYS 20 2HB LYS 20 11.895 0.207 3.842 920 2HB LYS 20 1HB LYS 20 12.720 0.609 2.341 921 1HG LYS 20 2HG LYS 20 11.337 2.480 2.708 922 2HG LYS 20 1HG LYS 20 10.394 1.512 1.576 923 1HD LYS 20 2HD LYS 20 8.727 1.699 3.101 924 2HD LYS 20 1HD LYS 20 9.618 0.468 3.997 925 1HE LYS 20 2HE LYS 20 10.926 2.840 4.672 926 2HE LYS 20 1HE LYS 20 9.206 3.281 4.664 927 1HZ LYS 20 3HZ LYS 20 8.803 1.163 5.902 928 2HZ LYS 20 2HZ LYS 20 10.485 1.019 6.099 929 3HZ LYS 20 1HZ LYS 20 9.657 2.337 6.780 930 H VAL 21 H VAL 21 10.058 0.115 0.152 931 HA VAL 21 HA VAL 21 7.337 0.164 1.221 932 HB VAL 21 HB VAL 21 8.848 0.958 -1.235 933 1HG1 VAL 21 1HG1 VAL 21 5.864 0.489 -1.132 934 2HG1 VAL 21 3HG1 VAL 21 6.597 1.631 -2.261 935 3HG1 VAL 21 2HG1 VAL 21 7.015 -0.081 -2.342 936 1HG2 VAL 21 1HG2 VAL 21 8.439 2.422 0.787 937 2HG2 VAL 21 3HG2 VAL 21 7.893 3.112 -0.740 938 3HG2 VAL 21 2HG2 VAL 21 6.726 2.399 0.374 939 H GLU 22 H GLU 22 9.333 -2.036 -0.537 940 HA GLU 22 HA GLU 22 7.243 -3.532 -1.889 941 1HB GLU 22 2HB GLU 22 10.162 -3.742 -1.270 942 2HB GLU 22 1HB GLU 22 9.334 -5.222 -1.746 943 1HG GLU 22 2HG GLU 22 9.048 -2.674 -3.337 944 2HG GLU 22 1HG GLU 22 10.370 -3.803 -3.631 945 H GLU 23 H GLU 23 9.156 -4.050 1.092 946 HA GLU 23 HA GLU 23 7.755 -6.462 1.868 947 1HB GLU 23 2HB GLU 23 9.322 -4.460 3.530 948 2HB GLU 23 1HB GLU 23 9.018 -6.148 3.941 949 1HG GLU 23 2HG GLU 23 10.126 -6.327 1.412 950 2HG GLU 23 1HG GLU 23 11.031 -4.999 2.141 951 H LEU 24 H LEU 24 7.322 -3.012 2.558 952 HA LEU 24 HA LEU 24 5.376 -3.319 4.662 953 1HB LEU 24 2HB LEU 24 6.816 -1.295 3.680 954 2HB LEU 24 1HB LEU 24 5.345 -1.016 2.747 955 HG LEU 24 HG LEU 24 4.022 -0.932 4.808 956 1HD1 LEU 24 1HD1 LEU 24 6.569 -1.943 5.938 957 2HD1 LEU 24 3HD1 LEU 24 5.729 -0.741 6.917 958 3HD1 LEU 24 2HD1 LEU 24 4.911 -2.235 6.462 959 1HD2 LEU 24 3HD2 LEU 24 5.634 1.024 3.894 960 2HD2 LEU 24 2HD2 LEU 24 4.613 1.233 5.317 961 3HD2 LEU 24 1HD2 LEU 24 6.321 0.831 5.507 962 H ILE 25 H ILE 25 5.019 -2.658 1.158 963 HA ILE 25 HA ILE 25 2.195 -2.653 1.034 964 HB ILE 25 HB ILE 25 4.513 -2.895 -0.737 965 1HG1 ILE 25 2HG1 ILE 25 3.294 -1.311 -2.036 966 2HG1 ILE 25 1HG1 ILE 25 1.752 -1.830 -1.359 967 1HG2 ILE 25 3HG2 ILE 25 1.941 -4.286 -1.543 968 2HG2 ILE 25 2HG2 ILE 25 3.194 -3.794 -2.683 969 3HG2 ILE 25 1HG2 ILE 25 3.549 -5.004 -1.449 970 1HD1 ILE 25 2HD1 ILE 25 3.638 -0.972 0.706 971 2HD1 ILE 25 1HD1 ILE 25 3.281 0.308 -0.455 972 3HD1 ILE 25 3HD1 ILE 25 1.970 -0.469 0.432 973 H ASN 26 H ASN 26 4.480 -5.394 1.011 974 HA ASN 26 HA ASN 26 2.554 -7.444 0.420 975 1HB ASN 26 2HB ASN 26 5.167 -7.410 0.493 976 2HB ASN 26 1HB ASN 26 4.960 -7.788 2.202 977 1HD2 ASN 26 2HD2 ASN 26 4.388 -11.187 1.541 978 2HD2 ASN 26 1HD2 ASN 26 4.893 -9.990 2.633 979 H THR 27 H THR 27 3.805 -6.150 3.482 980 HA THR 27 HA THR 27 2.327 -7.813 5.273 981 HB THR 27 HB THR 27 3.437 -4.996 5.393 982 HG1 THR 27 HG1 THR 27 4.699 -7.098 5.244 983 1HG2 THR 27 2HG2 THR 27 1.633 -6.300 7.225 984 2HG2 THR 27 1HG2 THR 27 3.202 -6.075 7.997 985 3HG2 THR 27 3HG2 THR 27 2.341 -4.688 7.331 986 H LEU 28 H LEU 28 1.459 -4.895 3.483 987 HA LEU 28 HA LEU 28 -0.992 -4.341 4.932 988 1HB LEU 28 2HB LEU 28 0.318 -3.543 2.347 989 2HB LEU 28 1HB LEU 28 -1.369 -3.106 2.613 990 HG LEU 28 HG LEU 28 0.543 -2.575 4.836 991 1HD1 LEU 28 2HD1 LEU 28 0.922 -1.563 2.149 992 2HD1 LEU 28 1HD1 LEU 28 0.523 -0.243 3.249 993 3HD1 LEU 28 3HD1 LEU 28 1.906 -1.284 3.585 994 1HD2 LEU 28 3HD2 LEU 28 -1.798 -1.084 3.608 995 2HD2 LEU 28 2HD2 LEU 28 -1.849 -2.078 5.065 996 3HD2 LEU 28 1HD2 LEU 28 -0.923 -0.577 5.053 997 H GLN 29 H GLN 29 -0.232 -6.015 1.878 998 HA GLN 29 HA GLN 29 -2.960 -6.757 1.278 999 1HB GLN 29 2HB GLN 29 -0.726 -6.621 -0.126 1000 2HB GLN 29 1HB GLN 29 -0.521 -8.287 0.412 1001 1HG GLN 29 2HG GLN 29 -3.099 -8.403 -0.372 1002 2HG GLN 29 1HG GLN 29 -2.526 -7.138 -1.461 1003 1HE2 GLN 29 2HE2 GLN 29 -1.123 -9.544 -3.600 1004 2HE2 GLN 29 1HE2 GLN 29 -1.963 -8.078 -3.425 1005 H GLN 30 H GLN 30 -0.680 -7.812 3.573 1006 HA GLN 30 HA GLN 30 -1.596 -10.597 3.778 1007 1HB GLN 30 2HB GLN 30 0.279 -8.732 5.229 1008 2HB GLN 30 1HB GLN 30 -0.110 -10.310 5.911 1009 1HG GLN 30 2HG GLN 30 0.504 -10.505 3.081 1010 2HG GLN 30 1HG GLN 30 1.832 -9.772 3.978 1011 1HE2 GLN 30 2HE2 GLN 30 1.864 -13.617 4.108 1012 2HE2 GLN 30 1HE2 GLN 30 1.559 -12.578 2.802 1013 H LYS 31 H LYS 31 -1.729 -7.676 5.833 1014 HA LYS 31 HA LYS 31 -3.570 -8.764 7.761 1015 1HB LYS 31 2HB LYS 31 -2.322 -6.202 7.019 1016 2HB LYS 31 1HB LYS 31 -3.923 -6.015 7.737 1017 1HG LYS 31 2HG LYS 31 -3.251 -7.346 9.673 1018 2HG LYS 31 1HG LYS 31 -1.671 -7.645 8.947 1019 1HD LYS 31 2HD LYS 31 -1.473 -5.053 8.857 1020 2HD LYS 31 1HD LYS 31 -2.785 -5.066 10.036 1021 1HE LYS 31 2HE LYS 31 -1.468 -6.019 11.694 1022 2HE LYS 31 1HE LYS 31 -0.425 -6.856 10.526 1023 1HZ LYS 31 3HZ LYS 31 -0.546 -3.911 10.910 1024 2HZ LYS 31 2HZ LYS 31 0.685 -4.920 11.505 1025 3HZ LYS 31 1HZ LYS 31 0.468 -4.735 9.830 1026 H LEU 32 H LEU 32 -3.922 -7.565 4.550 1027 HA LEU 32 HA LEU 32 -6.744 -6.828 4.736 1028 1HB LEU 32 2HB LEU 32 -4.817 -6.077 3.120 1029 2HB LEU 32 1HB LEU 32 -5.230 -7.543 2.230 1030 HG LEU 32 HG LEU 32 -7.518 -6.799 1.946 1031 1HD1 LEU 32 1HD1 LEU 32 -6.662 -4.728 3.942 1032 2HD1 LEU 32 3HD1 LEU 32 -7.924 -4.320 2.781 1033 3HD1 LEU 32 2HD1 LEU 32 -8.148 -5.676 3.885 1034 1HD2 LEU 32 2HD2 LEU 32 -5.339 -4.824 1.295 1035 2HD2 LEU 32 1HD2 LEU 32 -6.203 -5.913 0.211 1036 3HD2 LEU 32 3HD2 LEU 32 -7.010 -4.479 0.847 1037 H GLU 33 H GLU 33 -4.900 -9.568 3.355 1038 HA GLU 33 HA GLU 33 -7.198 -11.090 2.526 1039 1HB GLU 33 2HB GLU 33 -4.377 -11.907 3.320 1040 2HB GLU 33 1HB GLU 33 -5.501 -12.914 2.406 1041 1HG GLU 33 2HG GLU 33 -5.106 -10.194 1.320 1042 2HG GLU 33 1HG GLU 33 -3.683 -11.234 1.255 1043 H ALA 34 H ALA 34 -5.729 -10.504 5.595 1044 HA ALA 34 HA ALA 34 -6.931 -12.880 6.887 1045 1HB ALA 34 1HB ALA 34 -4.966 -10.755 7.474 1046 2HB ALA 34 3HB ALA 34 -5.977 -11.189 8.853 1047 3HB ALA 34 2HB ALA 34 -5.009 -12.423 8.045 1048 H VAL 35 H VAL 35 -7.439 -9.444 6.457 1049 HA VAL 35 HA VAL 35 -9.493 -9.056 8.434 1050 HB VAL 35 HB VAL 35 -8.263 -7.703 6.114 1051 1HG1 VAL 35 2HG1 VAL 35 -10.645 -7.643 5.428 1052 2HG1 VAL 35 1HG1 VAL 35 -11.054 -6.906 6.977 1053 3HG1 VAL 35 3HG1 VAL 35 -10.029 -6.040 5.831 1054 1HG2 VAL 35 2HG2 VAL 35 -9.316 -6.787 8.802 1055 2HG2 VAL 35 1HG2 VAL 35 -7.642 -7.183 8.413 1056 3HG2 VAL 35 3HG2 VAL 35 -8.407 -5.773 7.681 1057 H ALA 36 H ALA 36 -9.521 -9.971 4.981 1058 HA ALA 36 HA ALA 36 -12.404 -10.080 4.735 1059 1HB ALA 36 3HB ALA 36 -10.061 -10.400 3.144 1060 2HB ALA 36 2HB ALA 36 -11.006 -11.878 2.964 1061 3HB ALA 36 1HB ALA 36 -11.732 -10.315 2.584 1062 H LYS 37 H LYS 37 -9.902 -12.274 5.838 1063 HA LYS 37 HA LYS 37 -11.522 -14.684 5.792 1064 1HB LYS 37 2HB LYS 37 -9.314 -15.272 5.867 1065 2HB LYS 37 1HB LYS 37 -8.847 -13.734 6.584 1066 1HG LYS 37 2HG LYS 37 -9.783 -14.619 8.786 1067 2HG LYS 37 1HG LYS 37 -9.888 -16.198 8.003 1068 1HD LYS 37 2HD LYS 37 -7.362 -15.581 7.338 1069 2HD LYS 37 1HD LYS 37 -7.485 -14.640 8.825 1070 1HE LYS 37 2HE LYS 37 -8.647 -17.279 9.193 1071 2HE LYS 37 1HE LYS 37 -6.959 -17.392 8.655 1072 1HZ LYS 37 2HZ LYS 37 -7.893 -15.559 10.796 1073 2HZ LYS 37 1HZ LYS 37 -7.215 -17.086 11.099 1074 3HZ LYS 37 3HZ LYS 37 -6.286 -15.882 10.350 1075 H ARG 38 H ARG 38 -11.015 -12.041 8.043 1076 HA ARG 38 HA ARG 38 -12.301 -13.393 10.302 1077 1HB ARG 38 2HB ARG 38 -11.725 -10.450 9.821 1078 2HB ARG 38 1HB ARG 38 -11.923 -11.253 11.378 1079 1HG ARG 38 2HG ARG 38 -9.871 -12.559 9.795 1080 2HG ARG 38 1HG ARG 38 -9.510 -10.844 10.003 1081 1HD ARG 38 2HD ARG 38 -10.483 -12.169 12.459 1082 2HD ARG 38 1HD ARG 38 -8.916 -12.762 11.875 1083 HE ARG 38 HE ARG 38 -9.348 -9.821 12.021 1084 1HH1 ARG 38 2HH1 ARG 38 -6.999 -12.125 11.907 1085 2HH1 ARG 38 1HH1 ARG 38 -6.101 -11.575 13.281 1086 1HH2 ARG 38 1HH2 ARG 38 -8.548 -9.357 14.328 1087 2HH2 ARG 38 2HH2 ARG 38 -6.978 -10.010 14.651 1088 H ILE 39 H ILE 39 -13.136 -11.188 7.690 1089 HA ILE 39 HA ILE 39 -15.746 -10.389 8.564 1090 HB ILE 39 HB ILE 39 -14.344 -10.721 5.904 1091 1HG1 ILE 39 2HG1 ILE 39 -13.780 -8.890 7.637 1092 2HG1 ILE 39 1HG1 ILE 39 -14.095 -8.365 5.984 1093 1HG2 ILE 39 1HG2 ILE 39 -17.208 -10.131 6.469 1094 2HG2 ILE 39 3HG2 ILE 39 -16.417 -9.146 5.239 1095 3HG2 ILE 39 2HG2 ILE 39 -16.473 -10.899 5.061 1096 1HD1 ILE 39 3HD1 ILE 39 -16.355 -8.508 7.960 1097 2HD1 ILE 39 2HD1 ILE 39 -15.273 -7.117 7.958 1098 3HD1 ILE 39 1HD1 ILE 39 -16.204 -7.508 6.515 1099 H GLU 40 H GLU 40 -14.641 -13.074 6.486 1100 HA GLU 40 HA GLU 40 -17.229 -14.216 6.033 1101 1HB GLU 40 2HB GLU 40 -15.854 -16.236 5.468 1102 2HB GLU 40 1HB GLU 40 -15.226 -14.767 4.719 1103 1HG GLU 40 2HG GLU 40 -13.493 -14.566 6.364 1104 2HG GLU 40 1HG GLU 40 -14.215 -15.820 7.369 1105 H ALA 41 H ALA 41 -14.842 -14.505 8.616 1106 HA ALA 41 HA ALA 41 -15.892 -16.722 10.038 1107 1HB ALA 41 3HB ALA 41 -13.897 -14.847 10.339 1108 2HB ALA 41 2HB ALA 41 -15.007 -14.396 11.634 1109 3HB ALA 41 1HB ALA 41 -14.340 -16.028 11.573 1110 H LEU 42 H LEU 42 -16.848 -13.321 9.961 1111 HA LEU 42 HA LEU 42 -18.944 -13.603 11.981 1112 1HB LEU 42 2HB LEU 42 -18.110 -11.512 9.955 1113 2HB LEU 42 1HB LEU 42 -19.515 -11.285 10.985 1114 HG LEU 42 HG LEU 42 -18.084 -10.381 12.485 1115 1HD1 LEU 42 1HD1 LEU 42 -18.374 -12.634 13.516 1116 2HD1 LEU 42 3HD1 LEU 42 -16.906 -13.168 12.697 1117 3HD1 LEU 42 2HD1 LEU 42 -16.822 -11.901 13.920 1118 1HD2 LEU 42 3HD2 LEU 42 -16.358 -10.915 10.358 1119 2HD2 LEU 42 2HD2 LEU 42 -16.032 -9.875 11.744 1120 3HD2 LEU 42 1HD2 LEU 42 -15.536 -11.567 11.775 1121 H GLU 43 H GLU 43 -18.678 -13.770 8.473 1122 HA GLU 43 HA GLU 43 -21.516 -13.687 7.908 1123 1HB GLU 43 2HB GLU 43 -19.145 -14.853 6.406 1124 2HB GLU 43 1HB GLU 43 -20.723 -14.498 5.702 1125 1HG GLU 43 2HG GLU 43 -20.080 -12.135 6.972 1126 2HG GLU 43 1HG GLU 43 -18.523 -12.677 6.347 1127 H ASN 44 H ASN 44 -19.396 -16.028 9.222 1128 HA ASN 44 HA ASN 44 -20.881 -18.406 8.378 1129 1HB ASN 44 2HB ASN 44 -18.639 -17.697 10.252 1130 2HB ASN 44 1HB ASN 44 -19.400 -19.283 10.395 1131 1HD2 ASN 44 2HD2 ASN 44 -18.386 -20.229 7.005 1132 2HD2 ASN 44 1HD2 ASN 44 -19.770 -20.285 7.988 1133 H LYS 45 H LYS 45 -21.222 -15.962 10.763 1134 HA LYS 45 HA LYS 45 -23.176 -17.644 12.294 1135 1HB LYS 45 2HB LYS 45 -22.124 -15.100 13.427 1136 2HB LYS 45 1HB LYS 45 -22.405 -16.645 14.223 1137 1HG LYS 45 2HG LYS 45 -20.045 -15.864 12.494 1138 2HG LYS 45 1HG LYS 45 -20.028 -16.308 14.200 1139 1HD LYS 45 2HD LYS 45 -21.276 -18.410 12.682 1140 2HD LYS 45 1HD LYS 45 -19.710 -18.024 11.969 1141 1HE LYS 45 2HE LYS 45 -18.559 -18.428 14.035 1142 2HE LYS 45 1HE LYS 45 -20.082 -18.481 14.946 1143 1HZ LYS 45 2HZ LYS 45 -20.770 -20.382 13.619 1144 2HZ LYS 45 1HZ LYS 45 -19.301 -20.347 12.766 1145 3HZ LYS 45 3HZ LYS 45 -19.310 -20.718 14.421 1146 H ILE 46 H ILE 46 -22.744 -14.927 10.235 1147 HA ILE 46 HA ILE 46 -25.342 -13.705 11.058 1148 HB ILE 46 HB ILE 46 -23.083 -12.817 9.228 1149 1HG1 ILE 46 2HG1 ILE 46 -22.178 -12.321 11.286 1150 2HG1 ILE 46 1HG1 ILE 46 -23.227 -10.916 11.148 1151 1HG2 ILE 46 1HG2 ILE 46 -25.814 -11.750 9.729 1152 2HG2 ILE 46 3HG2 ILE 46 -24.502 -10.574 9.638 1153 3HG2 ILE 46 2HG2 ILE 46 -24.813 -11.655 8.280 1154 1HD1 ILE 46 3HD1 ILE 46 -24.023 -13.501 12.516 1155 2HD1 ILE 46 2HD1 ILE 46 -23.441 -12.065 13.354 1156 3HD1 ILE 46 1HD1 ILE 46 -24.961 -12.010 12.462 1157 H ILE 47 HN ILE 47 -23.903 -15.758 8.706 1158 HA ILE 47 HA ILE 47 -25.293 -15.227 6.325 1159 HB ILE 47 HB ILE 47 -23.607 -16.911 6.420 1160 1HG1 ILE 47 2HG1 ILE 47 -25.889 -18.802 6.272 1161 2HG1 ILE 47 1HG1 ILE 47 -26.000 -17.389 5.220 1162 1HG2 ILE 47 1HG2 ILE 47 -24.976 -17.593 8.883 1163 2HG2 ILE 47 3HG2 ILE 47 -24.699 -19.035 7.905 1164 3HG2 ILE 47 2HG2 ILE 47 -23.340 -18.009 8.368 1165 1HD1 ILE 47 3HD1 ILE 47 -23.657 -17.901 4.429 1166 2HD1 ILE 47 2HD1 ILE 47 -23.750 -19.414 5.329 1167 3HD1 ILE 47 1HD1 ILE 47 -24.854 -19.118 3.987 No H/Q in entry = 1167 Start of MODEL 17 1 1H GLY 1 1H GLY 1 28.531 -14.346 -16.502 2 2H GLY 1 3H GLY 1 27.923 -15.918 -16.687 3 3H GLY 1 2H GLY 1 27.940 -14.854 -18.011 4 1HA GLY 1 2HA GLY 1 25.710 -15.031 -17.132 5 2HA GLY 1 1HA GLY 1 26.311 -14.544 -15.546 6 H SER 2 H SER 2 24.328 -13.094 -17.010 7 HA SER 2 HA SER 2 25.445 -10.428 -16.877 8 1HB SER 2 2HB SER 2 24.916 -10.164 -19.471 9 2HB SER 2 1HB SER 2 26.482 -10.763 -18.932 10 HG SER 2 HG SER 2 24.804 -11.971 -20.510 11 H HIS 3 H HIS 3 22.962 -12.125 -18.838 12 HA HIS 3 HA HIS 3 20.610 -11.869 -18.849 13 1HB HIS 3 2HB HIS 3 21.494 -11.734 -16.229 14 2HB HIS 3 1HB HIS 3 20.544 -10.257 -16.393 15 HD1 HIS 3 HD1 HIS 3 18.336 -10.855 -15.345 16 HD2 HIS 3 HD2 HIS 3 19.657 -13.795 -17.990 17 HE1 HIS 3 HE1 HIS 3 16.452 -12.538 -15.549 18 H MET 4 H MET 4 19.227 -10.312 -19.735 19 HA MET 4 HA MET 4 20.259 -7.899 -20.796 20 1HB MET 4 2HB MET 4 17.777 -9.365 -20.622 21 2HB MET 4 1HB MET 4 17.460 -7.641 -20.430 22 1HG MET 4 2HG MET 4 19.061 -7.368 -22.476 23 2HG MET 4 1HG MET 4 18.724 -9.077 -22.752 24 1HE MET 4 3HE MET 4 18.076 -5.726 -23.150 25 2HE MET 4 2HE MET 4 17.601 -6.260 -24.760 26 3HE MET 4 1HE MET 4 16.426 -5.453 -23.726 27 H GLU 5 H GLU 5 21.244 -6.543 -19.225 28 HA GLU 5 HA GLU 5 19.380 -4.977 -17.561 29 1HB GLU 5 2HB GLU 5 20.190 -7.177 -16.388 30 2HB GLU 5 1HB GLU 5 21.714 -6.309 -16.199 31 1HG GLU 5 2HG GLU 5 19.492 -4.599 -15.482 32 2HG GLU 5 1HG GLU 5 19.433 -6.101 -14.558 33 H GLU 6 H GLU 6 20.285 -3.377 -19.138 34 HA GLU 6 HA GLU 6 23.084 -2.539 -18.454 35 1HB GLU 6 2HB GLU 6 21.815 -3.137 -20.886 36 2HB GLU 6 1HB GLU 6 21.917 -1.377 -20.853 37 1HG GLU 6 2HG GLU 6 24.371 -1.724 -20.119 38 2HG GLU 6 1HG GLU 6 24.160 -3.384 -20.676 39 H ASP 7 H ASP 7 23.118 -0.736 -17.174 40 HA ASP 7 HA ASP 7 21.753 1.676 -17.807 41 1HB ASP 7 2HB ASP 7 19.973 -0.094 -16.938 42 2HB ASP 7 1HB ASP 7 20.573 0.412 -15.359 43 HA PRO 8 HA PRO 8 24.872 2.918 -14.950 44 1HB PRO 8 2HB PRO 8 24.139 5.542 -14.683 45 2HB PRO 8 1HB PRO 8 24.957 4.910 -16.126 46 1HG PRO 8 2HG PRO 8 22.071 5.502 -15.692 47 2HG PRO 8 1HG PRO 8 23.076 5.763 -17.127 48 1HD PRO 8 2HD PRO 8 21.339 3.678 -16.873 49 2HD PRO 8 1HD PRO 8 22.812 3.612 -17.867 50 H CYS 9 H CYS 9 21.661 4.367 -14.246 51 HA CYS 9 HA CYS 9 21.894 3.331 -11.453 52 1HB CYS 9 2HB CYS 9 21.675 6.112 -12.509 53 2HB CYS 9 1HB CYS 9 20.772 5.732 -11.044 54 H GLU 10 H GLU 10 20.304 2.184 -13.529 55 HA GLU 10 HA GLU 10 18.058 1.678 -14.096 56 1HB GLU 10 2HB GLU 10 18.259 2.093 -11.118 57 2HB GLU 10 1HB GLU 10 16.730 1.599 -11.845 58 1HG GLU 10 2HG GLU 10 17.485 -0.522 -11.833 59 2HG GLU 10 1HG GLU 10 18.690 -0.041 -13.028 60 H CYS 11 H CYS 11 18.662 4.435 -14.622 61 HA CYS 11 HA CYS 11 17.068 6.409 -13.504 62 1HB CYS 11 2HB CYS 11 18.112 5.764 -16.228 63 2HB CYS 11 1HB CYS 11 16.961 7.097 -16.090 64 H LYS 12 H LYS 12 16.072 3.727 -15.538 65 HA LYS 12 HA LYS 12 13.243 4.721 -15.418 66 1HB LYS 12 2HB LYS 12 14.911 3.311 -17.475 67 2HB LYS 12 1HB LYS 12 13.171 3.020 -17.456 68 1HG LYS 12 2HG LYS 12 13.152 4.874 -18.798 69 2HG LYS 12 1HG LYS 12 13.167 5.710 -17.244 70 1HD LYS 12 2HD LYS 12 15.760 5.519 -17.434 71 2HD LYS 12 1HD LYS 12 15.450 5.231 -19.147 72 1HE LYS 12 2HE LYS 12 13.828 7.435 -18.476 73 2HE LYS 12 1HE LYS 12 15.395 7.744 -17.703 74 1HZ LYS 12 2HZ LYS 12 16.446 7.042 -19.832 75 2HZ LYS 12 1HZ LYS 12 14.903 7.033 -20.544 76 3HZ LYS 12 3HZ LYS 12 15.552 8.483 -19.949 77 H SER 13 H SER 13 15.419 2.304 -14.376 78 HA SER 13 HA SER 13 13.496 0.098 -14.203 79 1HB SER 13 2HB SER 13 16.331 0.696 -13.522 80 2HB SER 13 1HB SER 13 15.571 -0.609 -12.623 81 HG SER 13 HG SER 13 15.247 -1.704 -14.481 82 H ILE 14 H ILE 14 14.601 2.702 -12.140 83 HA ILE 14 HA ILE 14 13.468 1.618 -9.662 84 HB ILE 14 HB ILE 14 14.645 4.252 -10.588 85 1HG1 ILE 14 2HG1 ILE 14 15.785 2.431 -8.498 86 2HG1 ILE 14 1HG1 ILE 14 15.958 1.996 -10.197 87 1HG2 ILE 14 1HG2 ILE 14 12.887 4.289 -8.610 88 2HG2 ILE 14 3HG2 ILE 14 14.227 3.610 -7.686 89 3HG2 ILE 14 2HG2 ILE 14 14.401 5.181 -8.468 90 1HD1 ILE 14 2HD1 ILE 14 16.764 4.675 -9.035 91 2HD1 ILE 14 1HD1 ILE 14 17.882 3.345 -9.339 92 3HD1 ILE 14 3HD1 ILE 14 17.042 4.118 -10.684 93 H VAL 15 H VAL 15 12.610 4.011 -12.116 94 HA VAL 15 HA VAL 15 10.134 4.781 -10.718 95 HB VAL 15 HB VAL 15 10.585 5.515 -13.572 96 1HG1 VAL 15 3HG1 VAL 15 9.708 6.779 -11.002 97 2HG1 VAL 15 2HG1 VAL 15 10.319 7.825 -12.284 98 3HG1 VAL 15 1HG1 VAL 15 8.921 6.791 -12.582 99 1HG2 VAL 15 3HG2 VAL 15 12.611 6.006 -11.408 100 2HG2 VAL 15 2HG2 VAL 15 12.867 5.722 -13.129 101 3HG2 VAL 15 1HG2 VAL 15 12.298 7.294 -12.571 102 H LYS 16 H LYS 16 11.238 2.448 -12.976 103 HA LYS 16 HA LYS 16 8.691 1.857 -14.268 104 1HB LYS 16 2HB LYS 16 10.650 1.168 -15.418 105 2HB LYS 16 1HB LYS 16 11.403 0.559 -13.943 106 1HG LYS 16 2HG LYS 16 8.902 -0.806 -14.433 107 2HG LYS 16 1HG LYS 16 9.955 -0.929 -15.841 108 1HD LYS 16 2HD LYS 16 11.812 -1.502 -14.096 109 2HD LYS 16 1HD LYS 16 10.458 -1.864 -13.025 110 1HE LYS 16 2HE LYS 16 11.006 -3.128 -15.734 111 2HE LYS 16 1HE LYS 16 11.058 -3.931 -14.151 112 1HZ LYS 16 3HZ LYS 16 8.675 -2.905 -13.965 113 2HZ LYS 16 2HZ LYS 16 8.740 -2.950 -15.661 114 3HZ LYS 16 1HZ LYS 16 8.913 -4.382 -14.763 115 H PHE 17 H PHE 17 10.597 0.640 -11.545 116 HA PHE 17 HA PHE 17 8.766 -1.440 -10.740 117 1HB PHE 17 2HB PHE 17 10.901 -1.667 -9.839 118 2HB PHE 17 1HB PHE 17 11.116 0.071 -9.656 119 HD1 PHE 17 HD2 PHE 17 9.784 1.272 -7.834 120 HD2 PHE 17 HD1 PHE 17 10.191 -2.999 -8.010 121 HE1 PHE 17 HE2 PHE 17 9.129 1.115 -5.451 122 HE2 PHE 17 HE1 PHE 17 9.537 -3.159 -5.624 123 HZ PHE 17 HZ PHE 17 9.006 -1.101 -4.342 124 H GLN 18 H GLN 18 9.061 2.022 -10.146 125 HA GLN 18 HA GLN 18 7.316 2.345 -7.933 126 1HB GLN 18 2HB GLN 18 8.238 3.949 -10.272 127 2HB GLN 18 1HB GLN 18 6.881 4.582 -9.344 128 1HG GLN 18 2HG GLN 18 8.272 4.265 -7.260 129 2HG GLN 18 1HG GLN 18 9.640 3.890 -8.311 130 1HE2 GLN 18 2HE2 GLN 18 10.238 7.403 -8.110 131 2HE2 GLN 18 1HE2 GLN 18 10.716 5.891 -7.507 132 H THR 19 H THR 19 6.525 2.465 -11.421 133 HA THR 19 HA THR 19 3.739 2.877 -11.215 134 HB THR 19 HB THR 19 5.509 2.594 -13.207 135 HG1 THR 19 HG1 THR 19 2.945 2.935 -13.018 136 1HG2 THR 19 1HG2 THR 19 5.665 0.107 -12.768 137 2HG2 THR 19 3HG2 THR 19 4.003 -0.024 -13.337 138 3HG2 THR 19 2HG2 THR 19 5.266 0.543 -14.428 139 H LYS 20 H LYS 20 5.637 -0.083 -10.871 140 HA LYS 20 HA LYS 20 3.443 -1.946 -10.794 141 1HB LYS 20 2HB LYS 20 6.173 -2.004 -9.455 142 2HB LYS 20 1HB LYS 20 5.153 -3.409 -9.767 143 1HG LYS 20 2HG LYS 20 5.821 -1.626 -12.072 144 2HG LYS 20 1HG LYS 20 7.081 -2.704 -11.467 145 1HD LYS 20 2HD LYS 20 4.314 -3.762 -12.004 146 2HD LYS 20 1HD LYS 20 5.469 -3.584 -13.324 147 1HE LYS 20 2HE LYS 20 6.727 -5.353 -12.611 148 2HE LYS 20 1HE LYS 20 6.572 -4.886 -10.907 149 1HZ LYS 20 2HZ LYS 20 4.080 -5.652 -12.134 150 2HZ LYS 20 1HZ LYS 20 5.214 -6.915 -12.081 151 3HZ LYS 20 3HZ LYS 20 4.750 -6.135 -10.648 152 H VAL 21 H VAL 21 5.068 0.026 -8.349 153 HA VAL 21 HA VAL 21 3.563 -1.047 -6.095 154 HB VAL 21 HB VAL 21 5.598 1.030 -6.711 155 1HG1 VAL 21 1HG1 VAL 21 3.634 1.290 -4.435 156 2HG1 VAL 21 3HG1 VAL 21 5.277 1.918 -4.300 157 3HG1 VAL 21 2HG1 VAL 21 4.197 2.536 -5.550 158 1HG2 VAL 21 2HG2 VAL 21 5.202 -1.326 -4.983 159 2HG2 VAL 21 1HG2 VAL 21 6.672 -0.729 -5.752 160 3HG2 VAL 21 3HG2 VAL 21 6.121 -0.021 -4.234 161 H GLU 22 H GLU 22 2.996 1.288 -8.576 162 HA GLU 22 HA GLU 22 1.076 2.947 -7.154 163 1HB GLU 22 2HB GLU 22 2.054 2.492 -9.950 164 2HB GLU 22 1HB GLU 22 0.541 3.367 -9.745 165 1HG GLU 22 2HG GLU 22 1.846 4.777 -7.994 166 2HG GLU 22 1HG GLU 22 3.287 4.111 -8.763 167 H GLU 23 H GLU 23 0.855 0.237 -9.464 168 HA GLU 23 HA GLU 23 -2.052 0.104 -9.377 169 1HB GLU 23 2HB GLU 23 -1.636 -1.962 -10.679 170 2HB GLU 23 1HB GLU 23 -0.647 -0.630 -11.283 171 1HG GLU 23 2HG GLU 23 1.307 -1.458 -10.188 172 2HG GLU 23 1HG GLU 23 0.370 -2.606 -9.231 173 H LEU 24 H LEU 24 0.599 -1.288 -7.551 174 HA LEU 24 HA LEU 24 -0.925 -3.426 -6.307 175 1HB LEU 24 2HB LEU 24 1.674 -2.907 -6.609 176 2HB LEU 24 1HB LEU 24 1.464 -2.124 -5.043 177 HG LEU 24 HG LEU 24 2.121 -4.469 -4.732 178 1HD1 LEU 24 1HD1 LEU 24 0.418 -3.309 -3.215 179 2HD1 LEU 24 3HD1 LEU 24 -0.823 -4.211 -4.084 180 3HD1 LEU 24 2HD1 LEU 24 0.415 -5.072 -3.170 181 1HD2 LEU 24 2HD2 LEU 24 0.509 -4.885 -6.981 182 2HD2 LEU 24 1HD2 LEU 24 1.288 -6.137 -6.012 183 3HD2 LEU 24 3HD2 LEU 24 -0.374 -5.656 -5.662 184 H ILE 25 H ILE 25 0.009 -0.116 -5.361 185 HA ILE 25 HA ILE 25 -1.152 -0.157 -2.744 186 HB ILE 25 HB ILE 25 0.000 1.725 -4.684 187 1HG1 ILE 25 2HG1 ILE 25 1.156 2.519 -2.763 188 2HG1 ILE 25 1HG1 ILE 25 -0.095 1.930 -1.669 189 1HG2 ILE 25 1HG2 ILE 25 -2.279 2.616 -2.918 190 2HG2 ILE 25 3HG2 ILE 25 -0.975 3.725 -3.345 191 3HG2 ILE 25 2HG2 ILE 25 -1.977 3.012 -4.609 192 1HD1 ILE 25 3HD1 ILE 25 1.053 -0.188 -3.344 193 2HD1 ILE 25 2HD1 ILE 25 2.241 0.586 -2.297 194 3HD1 ILE 25 1HD1 ILE 25 0.798 -0.150 -1.600 195 H ASN 26 H ASN 26 -2.490 0.646 -5.949 196 HA ASN 26 HA ASN 26 -5.024 1.641 -5.042 197 1HB ASN 26 2HB ASN 26 -3.762 1.557 -7.380 198 2HB ASN 26 1HB ASN 26 -4.704 0.080 -7.582 199 1HD2 ASN 26 2HD2 ASN 26 -7.320 2.149 -8.766 200 2HD2 ASN 26 1HD2 ASN 26 -6.216 0.913 -9.135 201 H THR 27 H THR 27 -3.895 -1.610 -5.893 202 HA THR 27 HA THR 27 -6.400 -2.980 -5.624 203 HB THR 27 HB THR 27 -3.481 -3.739 -5.360 204 HG1 THR 27 HG1 THR 27 -4.616 -3.074 -7.397 205 1HG2 THR 27 2HG2 THR 27 -5.917 -5.544 -5.380 206 2HG2 THR 27 1HG2 THR 27 -4.254 -6.099 -5.568 207 3HG2 THR 27 3HG2 THR 27 -4.768 -5.351 -4.057 208 H LEU 28 H LEU 28 -3.932 -2.005 -3.286 209 HA LEU 28 HA LEU 28 -4.956 -3.590 -1.079 210 1HB LEU 28 2HB LEU 28 -3.077 -1.276 -1.498 211 2HB LEU 28 1HB LEU 28 -3.562 -1.702 0.143 212 HG LEU 28 HG LEU 28 -2.713 -3.942 -1.617 213 1HD1 LEU 28 3HD1 LEU 28 -0.872 -1.773 -0.593 214 2HD1 LEU 28 2HD1 LEU 28 -0.297 -3.416 -0.879 215 3HD1 LEU 28 1HD1 LEU 28 -0.950 -2.466 -2.214 216 1HD2 LEU 28 1HD2 LEU 28 -2.880 -3.222 1.239 217 2HD2 LEU 28 3HD2 LEU 28 -3.021 -4.802 0.471 218 3HD2 LEU 28 2HD2 LEU 28 -1.428 -4.124 0.808 219 H GLN 29 H GLN 29 -5.350 -0.217 -2.137 220 HA GLN 29 HA GLN 29 -7.149 0.541 0.003 221 1HB GLN 29 2HB GLN 29 -5.645 1.887 -1.702 222 2HB GLN 29 1HB GLN 29 -7.071 1.790 -2.735 223 1HG GLN 29 2HG GLN 29 -7.976 2.518 -0.141 224 2HG GLN 29 1HG GLN 29 -6.598 3.554 -0.520 225 1HE2 GLN 29 2HE2 GLN 29 -8.238 4.924 -3.481 226 2HE2 GLN 29 1HE2 GLN 29 -6.714 4.352 -2.998 227 H GLN 30 H GLN 30 -7.452 -1.371 -2.804 228 HA GLN 30 HA GLN 30 -10.299 -0.852 -3.311 229 1HB GLN 30 2HB GLN 30 -8.172 -2.756 -4.302 230 2HB GLN 30 1HB GLN 30 -9.854 -2.928 -4.806 231 1HG GLN 30 2HG GLN 30 -8.947 -0.165 -4.982 232 2HG GLN 30 1HG GLN 30 -7.962 -1.246 -5.964 233 1HE2 GLN 30 2HE2 GLN 30 -10.592 -2.010 -8.244 234 2HE2 GLN 30 1HE2 GLN 30 -9.066 -2.489 -7.675 235 H LYS 31 H LYS 31 -8.349 -3.602 -2.113 236 HA LYS 31 HA LYS 31 -10.604 -5.191 -1.268 237 1HB LYS 31 2HB LYS 31 -7.645 -5.117 -0.969 238 2HB LYS 31 1HB LYS 31 -8.516 -6.018 0.272 239 1HG LYS 31 2HG LYS 31 -9.539 -7.448 -1.358 240 2HG LYS 31 1HG LYS 31 -8.990 -6.429 -2.688 241 1HD LYS 31 2HD LYS 31 -6.602 -6.952 -1.622 242 2HD LYS 31 1HD LYS 31 -7.448 -8.384 -1.035 243 1HE LYS 31 2HE LYS 31 -8.283 -8.620 -3.500 244 2HE LYS 31 1HE LYS 31 -6.925 -7.544 -3.884 245 1HZ LYS 31 1HZ LYS 31 -6.374 -9.684 -1.996 246 2HZ LYS 31 3HZ LYS 31 -6.646 -10.175 -3.596 247 3HZ LYS 31 2HZ LYS 31 -5.406 -9.066 -3.248 248 H LEU 32 H LEU 32 -8.995 -2.426 0.014 249 HA LEU 32 HA LEU 32 -9.805 -2.824 2.804 250 1HB LEU 32 2HB LEU 32 -7.782 -1.542 1.700 251 2HB LEU 32 1HB LEU 32 -8.946 -0.226 1.544 252 HG LEU 32 HG LEU 32 -9.340 -0.209 3.931 253 1HD1 LEU 32 2HD1 LEU 32 -7.706 -2.740 3.832 254 2HD1 LEU 32 1HD1 LEU 32 -7.815 -1.801 5.321 255 3HD1 LEU 32 3HD1 LEU 32 -9.275 -2.469 4.592 256 1HD2 LEU 32 3HD2 LEU 32 -6.435 -0.313 3.097 257 2HD2 LEU 32 2HD2 LEU 32 -7.442 1.110 3.356 258 3HD2 LEU 32 1HD2 LEU 32 -6.916 0.140 4.732 259 H GLU 33 H GLU 33 -10.766 -0.687 0.096 260 HA GLU 33 HA GLU 33 -12.921 0.600 1.518 261 1HB GLU 33 2HB GLU 33 -11.858 1.554 -0.465 262 2HB GLU 33 1HB GLU 33 -12.314 0.147 -1.426 263 1HG GLU 33 2HG GLU 33 -14.045 1.548 -2.014 264 2HG GLU 33 1HG GLU 33 -14.755 0.835 -0.565 265 H ALA 34 H ALA 34 -12.549 -2.509 0.119 266 HA ALA 34 HA ALA 34 -15.459 -2.970 -0.196 267 1HB ALA 34 1HB ALA 34 -12.973 -4.042 -1.197 268 2HB ALA 34 3HB ALA 34 -13.903 -5.343 -0.453 269 3HB ALA 34 2HB ALA 34 -14.610 -4.383 -1.754 270 H VAL 35 H VAL 35 -12.702 -3.895 1.806 271 HA VAL 35 HA VAL 35 -13.995 -5.784 3.510 272 HB VAL 35 HB VAL 35 -11.593 -4.032 3.472 273 1HG1 VAL 35 1HG1 VAL 35 -12.582 -3.610 5.742 274 2HG1 VAL 35 3HG1 VAL 35 -12.468 -5.342 6.053 275 3HG1 VAL 35 2HG1 VAL 35 -11.006 -4.395 5.781 276 1HG2 VAL 35 1HG2 VAL 35 -11.680 -6.413 2.674 277 2HG2 VAL 35 3HG2 VAL 35 -10.455 -6.124 3.909 278 3HG2 VAL 35 2HG2 VAL 35 -11.974 -6.908 4.340 279 H ALA 36 H ALA 36 -13.817 -2.234 3.526 280 HA ALA 36 HA ALA 36 -15.092 -1.868 6.098 281 1HB ALA 36 1HB ALA 36 -14.184 -0.296 3.774 282 2HB ALA 36 3HB ALA 36 -15.576 0.402 4.602 283 3HB ALA 36 2HB ALA 36 -14.087 0.090 5.492 284 H LYS 37 H LYS 37 -16.221 -2.484 2.843 285 HA LYS 37 HA LYS 37 -18.984 -1.646 3.368 286 1HB LYS 37 2HB LYS 37 -17.353 -2.824 1.178 287 2HB LYS 37 1HB LYS 37 -19.072 -3.217 1.147 288 1HG LYS 37 2HG LYS 37 -19.709 -0.948 0.979 289 2HG LYS 37 1HG LYS 37 -18.128 -0.376 1.516 290 1HD LYS 37 2HD LYS 37 -17.144 -0.727 -0.546 291 2HD LYS 37 1HD LYS 37 -18.246 -2.040 -0.963 292 1HE LYS 37 2HE LYS 37 -19.153 -0.408 -2.323 293 2HE LYS 37 1HE LYS 37 -20.016 0.014 -0.829 294 1HZ LYS 37 2HZ LYS 37 -17.383 1.108 -1.669 295 2HZ LYS 37 1HZ LYS 37 -18.861 1.942 -1.749 296 3HZ LYS 37 3HZ LYS 37 -18.215 1.507 -0.243 297 H ARG 38 H ARG 38 -17.068 -4.543 3.721 298 HA ARG 38 HA ARG 38 -19.387 -6.321 4.015 299 1HB ARG 38 2HB ARG 38 -16.474 -6.753 4.735 300 2HB ARG 38 1HB ARG 38 -17.665 -7.981 4.310 301 1HG ARG 38 2HG ARG 38 -17.727 -6.259 2.137 302 2HG ARG 38 1HG ARG 38 -16.017 -6.305 2.568 303 1HD ARG 38 2HD ARG 38 -15.859 -8.315 1.550 304 2HD ARG 38 1HD ARG 38 -16.991 -8.975 2.747 305 HE ARG 38 HE ARG 38 -18.548 -7.520 0.901 306 1HH1 ARG 38 2HH1 ARG 38 -17.113 -10.552 1.444 307 2HH1 ARG 38 1HH1 ARG 38 -17.602 -11.230 -0.073 308 1HH2 ARG 38 1HH2 ARG 38 -18.895 -8.255 -1.291 309 2HH2 ARG 38 2HH2 ARG 38 -18.609 -9.932 -1.619 310 H ILE 39 H ILE 39 -17.143 -4.488 6.007 311 HA ILE 39 HA ILE 39 -17.832 -5.632 8.562 312 HB ILE 39 HB ILE 39 -16.539 -3.124 7.510 313 1HG1 ILE 39 2HG1 ILE 39 -15.395 -5.414 7.761 314 2HG1 ILE 39 1HG1 ILE 39 -14.571 -4.039 8.495 315 1HG2 ILE 39 2HG2 ILE 39 -17.312 -3.671 10.388 316 2HG2 ILE 39 1HG2 ILE 39 -16.082 -2.498 9.920 317 3HG2 ILE 39 3HG2 ILE 39 -17.755 -2.273 9.408 318 1HD1 ILE 39 2HD1 ILE 39 -16.507 -5.267 10.306 319 2HD1 ILE 39 1HD1 ILE 39 -15.256 -6.396 9.794 320 3HD1 ILE 39 3HD1 ILE 39 -14.808 -4.883 10.575 321 H GLU 40 H GLU 40 -18.941 -2.707 6.823 322 HA GLU 40 HA GLU 40 -20.886 -1.892 8.771 323 1HB GLU 40 2HB GLU 40 -21.802 -0.620 6.825 324 2HB GLU 40 1HB GLU 40 -20.046 -0.474 6.929 325 1HG GLU 40 2HG GLU 40 -20.239 -1.016 4.693 326 2HG GLU 40 1HG GLU 40 -20.141 -2.637 5.380 327 H ALA 41 H ALA 41 -20.885 -4.200 6.120 328 HA ALA 41 HA ALA 41 -23.660 -4.762 5.917 329 1HB ALA 41 2HB ALA 41 -21.167 -5.774 5.014 330 2HB ALA 41 1HB ALA 41 -22.022 -7.136 5.737 331 3HB ALA 41 3HB ALA 41 -22.769 -6.221 4.428 332 H LEU 42 H LEU 42 -21.168 -5.940 8.148 333 HA LEU 42 HA LEU 42 -22.961 -7.739 9.589 334 1HB LEU 42 2HB LEU 42 -20.200 -6.570 9.986 335 2HB LEU 42 1HB LEU 42 -20.955 -7.499 11.270 336 HG LEU 42 HG LEU 42 -19.889 -9.237 10.236 337 1HD1 LEU 42 1HD1 LEU 42 -22.294 -9.710 9.877 338 2HD1 LEU 42 3HD1 LEU 42 -22.199 -8.928 8.300 339 3HD1 LEU 42 2HD1 LEU 42 -21.291 -10.409 8.606 340 1HD2 LEU 42 1HD2 LEU 42 -19.124 -7.340 8.483 341 2HD2 LEU 42 3HD2 LEU 42 -18.776 -9.054 8.255 342 3HD2 LEU 42 2HD2 LEU 42 -20.150 -8.315 7.431 343 H GLU 43 H GLU 43 -21.970 -4.380 9.814 344 HA GLU 43 HA GLU 43 -23.028 -3.906 12.472 345 1HB GLU 43 2HB GLU 43 -22.490 -2.079 10.106 346 2HB GLU 43 1HB GLU 43 -22.688 -1.552 11.780 347 1HG GLU 43 2HG GLU 43 -20.801 -3.525 12.025 348 2HG GLU 43 1HG GLU 43 -20.375 -2.807 10.475 349 H ASN 44 H ASN 44 -24.449 -4.406 9.410 350 HA ASN 44 HA ASN 44 -26.821 -2.758 9.736 351 1HB ASN 44 2HB ASN 44 -25.924 -5.043 7.990 352 2HB ASN 44 1HB ASN 44 -27.589 -4.470 7.908 353 1HD2 ASN 44 2HD2 ASN 44 -25.131 -1.319 7.220 354 2HD2 ASN 44 1HD2 ASN 44 -25.170 -2.093 8.729 355 H LYS 45 H LYS 45 -25.832 -5.942 10.808 356 HA LYS 45 HA LYS 45 -28.571 -6.343 11.979 357 1HB LYS 45 2HB LYS 45 -28.024 -8.796 11.665 358 2HB LYS 45 1HB LYS 45 -28.175 -7.890 10.158 359 1HG LYS 45 2HG LYS 45 -25.470 -8.003 11.401 360 2HG LYS 45 1HG LYS 45 -26.071 -9.482 10.652 361 1HD LYS 45 2HD LYS 45 -26.195 -6.829 9.214 362 2HD LYS 45 1HD LYS 45 -24.759 -7.848 9.151 363 1HE LYS 45 2HE LYS 45 -26.652 -9.708 8.584 364 2HE LYS 45 1HE LYS 45 -27.414 -8.264 7.888 365 1HZ LYS 45 3HZ LYS 45 -24.548 -8.851 7.463 366 2HZ LYS 45 2HZ LYS 45 -25.738 -9.510 6.444 367 3HZ LYS 45 1HZ LYS 45 -25.561 -7.825 6.569 368 H ILE 46 H ILE 46 -25.333 -5.760 12.646 369 HA ILE 46 HA ILE 46 -25.421 -7.241 15.248 370 HB ILE 46 HB ILE 46 -23.188 -5.978 13.619 371 1HG1 ILE 46 2HG1 ILE 46 -23.493 -8.041 12.605 372 2HG1 ILE 46 1HG1 ILE 46 -22.411 -8.513 13.909 373 1HG2 ILE 46 3HG2 ILE 46 -23.348 -6.676 16.447 374 2HG2 ILE 46 2HG2 ILE 46 -22.041 -7.527 15.621 375 3HG2 ILE 46 1HG2 ILE 46 -22.109 -5.765 15.584 376 1HD1 ILE 46 3HD1 ILE 46 -24.482 -9.020 15.296 377 2HD1 ILE 46 2HD1 ILE 46 -25.420 -8.817 13.817 378 3HD1 ILE 46 1HD1 ILE 46 -24.210 -10.096 13.925 379 H ILE 47 HN ILE 47 -25.329 -4.092 13.740 380 HA ILE 47 HA ILE 47 -24.407 -2.373 15.730 381 HB ILE 47 HB ILE 47 -25.169 -1.630 13.553 382 1HG1 ILE 47 2HG1 ILE 47 -27.199 -0.442 15.435 383 2HG1 ILE 47 1HG1 ILE 47 -25.476 -0.150 15.682 384 1HG2 ILE 47 3HG2 ILE 47 -26.997 -3.348 13.371 385 2HG2 ILE 47 2HG2 ILE 47 -27.969 -2.360 14.462 386 3HG2 ILE 47 1HG2 ILE 47 -27.503 -1.731 12.881 387 1HD1 ILE 47 3HD1 ILE 47 -26.747 0.280 12.981 388 2HD1 ILE 47 2HD1 ILE 47 -26.794 1.540 14.215 389 3HD1 ILE 47 1HD1 ILE 47 -25.244 0.955 13.610 390 1H GLY 1 1H GLY 1 5.564 21.020 -28.250 391 2H GLY 1 3H GLY 1 3.965 21.569 -28.384 392 3H GLY 1 2H GLY 1 5.146 22.562 -27.672 393 1HA GLY 1 2HA GLY 1 3.770 21.612 -25.958 394 2HA GLY 1 1HA GLY 1 4.116 19.998 -26.583 395 H SER 2 H SER 2 4.752 21.034 -23.918 396 HA SER 2 HA SER 2 7.508 20.122 -23.747 397 1HB SER 2 2HB SER 2 8.109 22.509 -22.739 398 2HB SER 2 1HB SER 2 8.201 22.222 -24.475 399 HG SER 2 HG SER 2 6.806 24.048 -23.320 400 H HIS 3 H HIS 3 5.351 22.397 -22.000 401 HA HIS 3 HA HIS 3 4.462 22.267 -19.815 402 1HB HIS 3 2HB HIS 3 4.336 19.758 -20.947 403 2HB HIS 3 1HB HIS 3 5.231 19.443 -19.460 404 HD1 HIS 3 HD1 HIS 3 3.509 18.557 -17.868 405 HD2 HIS 3 HD2 HIS 3 2.148 21.932 -19.898 406 HE1 HIS 3 HE1 HIS 3 1.265 19.147 -16.851 407 H MET 4 H MET 4 5.294 22.487 -17.692 408 HA MET 4 HA MET 4 8.088 22.928 -17.373 409 1HB MET 4 2HB MET 4 5.628 23.054 -15.868 410 2HB MET 4 1HB MET 4 6.900 22.371 -14.858 411 1HG MET 4 2HG MET 4 8.356 24.331 -15.780 412 2HG MET 4 1HG MET 4 6.807 25.059 -16.208 413 1HE MET 4 3HE MET 4 9.417 24.442 -14.075 414 2HE MET 4 2HE MET 4 9.128 26.090 -13.522 415 3HE MET 4 1HE MET 4 8.982 24.750 -12.388 416 H GLU 5 H GLU 5 9.350 21.088 -17.914 417 HA GLU 5 HA GLU 5 9.448 18.978 -15.861 418 1HB GLU 5 2HB GLU 5 7.670 18.504 -17.737 419 2HB GLU 5 1HB GLU 5 9.082 18.121 -18.723 420 1HG GLU 5 2HG GLU 5 9.256 16.899 -16.084 421 2HG GLU 5 1HG GLU 5 7.801 16.392 -16.940 422 H GLU 6 H GLU 6 11.614 19.834 -15.598 423 HA GLU 6 HA GLU 6 13.471 19.162 -17.861 424 1HB GLU 6 2HB GLU 6 12.920 21.608 -16.583 425 2HB GLU 6 1HB GLU 6 14.478 21.091 -15.938 426 1HG GLU 6 2HG GLU 6 15.016 20.558 -18.460 427 2HG GLU 6 1HG GLU 6 13.715 21.706 -18.774 428 H ASP 7 H ASP 7 14.727 17.424 -17.299 429 HA ASP 7 HA ASP 7 16.296 17.304 -14.932 430 1HB ASP 7 2HB ASP 7 13.767 16.922 -14.247 431 2HB ASP 7 1HB ASP 7 14.072 15.290 -14.843 432 HA PRO 8 HA PRO 8 18.127 14.311 -17.600 433 1HB PRO 8 2HB PRO 8 19.947 13.262 -15.847 434 2HB PRO 8 1HB PRO 8 20.143 14.854 -16.605 435 1HG PRO 8 2HG PRO 8 19.201 14.164 -13.869 436 2HG PRO 8 1HG PRO 8 20.226 15.503 -14.406 437 1HD PRO 8 2HD PRO 8 17.574 15.772 -13.817 438 2HD PRO 8 1HD PRO 8 18.441 16.818 -14.964 439 H CYS 9 H CYS 9 17.651 13.100 -14.250 440 HA CYS 9 HA CYS 9 16.217 10.736 -15.380 441 1HB CYS 9 2HB CYS 9 18.739 10.926 -13.794 442 2HB CYS 9 1HB CYS 9 17.644 9.598 -13.413 443 H GLU 10 H GLU 10 14.986 12.979 -14.150 444 HA GLU 10 HA GLU 10 13.668 13.621 -12.285 445 1HB GLU 10 2HB GLU 10 13.347 10.660 -12.752 446 2HB GLU 10 1HB GLU 10 12.401 11.478 -11.507 447 1HG GLU 10 2HG GLU 10 10.964 12.144 -13.105 448 2HG GLU 10 1HG GLU 10 12.259 13.123 -13.800 449 H CYS 11 H CYS 11 16.394 13.359 -11.485 450 HA CYS 11 HA CYS 11 17.027 11.631 -9.404 451 1HB CYS 11 2HB CYS 11 17.619 14.497 -10.060 452 2HB CYS 11 1HB CYS 11 18.224 13.828 -8.541 453 H LYS 12 H LYS 12 14.795 14.345 -9.381 454 HA LYS 12 HA LYS 12 14.244 13.830 -6.476 455 1HB LYS 12 2HB LYS 12 14.368 16.263 -8.221 456 2HB LYS 12 1HB LYS 12 13.278 16.278 -6.834 457 1HG LYS 12 2HG LYS 12 15.138 16.965 -5.708 458 2HG LYS 12 1HG LYS 12 15.514 15.243 -5.685 459 1HD LYS 12 2HD LYS 12 16.601 15.728 -8.024 460 2HD LYS 12 1HD LYS 12 16.633 17.398 -7.454 461 1HE LYS 12 2HE LYS 12 17.570 15.882 -5.278 462 2HE LYS 12 1HE LYS 12 18.373 15.198 -6.705 463 1HZ LYS 12 2HZ LYS 12 18.763 17.561 -7.416 464 2HZ LYS 12 1HZ LYS 12 18.288 18.039 -5.856 465 3HZ LYS 12 3HZ LYS 12 19.656 17.058 -6.061 466 H SER 13 H SER 13 12.986 13.616 -9.641 467 HA SER 13 HA SER 13 10.163 14.038 -8.961 468 1HB SER 13 2HB SER 13 11.858 13.331 -11.302 469 2HB SER 13 1HB SER 13 10.173 12.832 -11.378 470 HG SER 13 HG SER 13 9.583 14.982 -11.009 471 H ILE 14 H ILE 14 12.395 11.351 -9.131 472 HA ILE 14 HA ILE 14 10.345 9.253 -9.062 473 HB ILE 14 HB ILE 14 13.355 9.432 -8.796 474 1HG1 ILE 14 2HG1 ILE 14 11.822 7.978 -10.924 475 2HG1 ILE 14 1HG1 ILE 14 11.949 9.735 -11.000 476 1HG2 ILE 14 1HG2 ILE 14 12.173 7.472 -7.510 477 2HG2 ILE 14 3HG2 ILE 14 11.901 6.819 -9.124 478 3HG2 ILE 14 2HG2 ILE 14 13.544 7.111 -8.555 479 1HD1 ILE 14 2HD1 ILE 14 14.308 7.847 -10.760 480 2HD1 ILE 14 1HD1 ILE 14 13.775 8.605 -12.261 481 3HD1 ILE 14 3HD1 ILE 14 14.386 9.600 -10.941 482 H VAL 15 H VAL 15 12.544 10.856 -6.826 483 HA VAL 15 HA VAL 15 11.690 9.188 -4.552 484 HB VAL 15 HB VAL 15 13.239 11.696 -4.119 485 1HG1 VAL 15 3HG1 VAL 15 13.276 8.817 -3.280 486 2HG1 VAL 15 2HG1 VAL 15 14.747 9.771 -3.098 487 3HG1 VAL 15 1HG1 VAL 15 13.266 10.268 -2.280 488 1HG2 VAL 15 1HG2 VAL 15 14.186 9.473 -5.950 489 2HG2 VAL 15 3HG2 VAL 15 14.242 11.211 -6.236 490 3HG2 VAL 15 2HG2 VAL 15 15.321 10.479 -5.053 491 H LYS 16 H LYS 16 10.789 12.078 -6.160 492 HA LYS 16 HA LYS 16 9.415 13.386 -3.946 493 1HB LYS 16 2HB LYS 16 10.009 14.770 -5.775 494 2HB LYS 16 1HB LYS 16 9.497 13.570 -6.962 495 1HG LYS 16 2HG LYS 16 7.277 14.331 -5.267 496 2HG LYS 16 1HG LYS 16 7.999 15.753 -6.019 497 1HD LYS 16 2HD LYS 16 7.966 14.312 -8.199 498 2HD LYS 16 1HD LYS 16 6.768 13.346 -7.337 499 1HE LYS 16 2HE LYS 16 6.598 16.305 -7.998 500 2HE LYS 16 1HE LYS 16 5.526 15.007 -8.559 501 1HZ LYS 16 3HZ LYS 16 5.363 14.578 -5.982 502 2HZ LYS 16 2HZ LYS 16 5.720 16.237 -5.910 503 3HZ LYS 16 1HZ LYS 16 4.348 15.695 -6.752 504 H PHE 17 H PHE 17 8.600 11.216 -6.630 505 HA PHE 17 HA PHE 17 5.786 10.960 -6.043 506 1HB PHE 17 2HB PHE 17 6.373 10.239 -8.181 507 2HB PHE 17 1HB PHE 17 7.912 9.575 -7.640 508 HD1 PHE 17 HD2 PHE 17 7.888 7.432 -6.242 509 HD2 PHE 17 HD1 PHE 17 4.471 8.848 -8.427 510 HE1 PHE 17 HE2 PHE 17 6.878 5.169 -6.128 511 HE2 PHE 17 HE1 PHE 17 3.462 6.586 -8.313 512 HZ PHE 17 HZ PHE 17 4.665 4.745 -7.164 513 H GLN 18 H GLN 18 8.744 9.401 -4.903 514 HA GLN 18 HA GLN 18 7.676 7.135 -3.580 515 1HB GLN 18 2HB GLN 18 10.031 8.943 -3.302 516 2HB GLN 18 1HB GLN 18 9.712 7.827 -1.976 517 1HG GLN 18 2HG GLN 18 9.592 5.973 -3.694 518 2HG GLN 18 1HG GLN 18 10.177 7.136 -4.886 519 1HE2 GLN 18 2HE2 GLN 18 13.388 5.939 -3.881 520 2HE2 GLN 18 1HE2 GLN 18 12.193 5.827 -5.080 521 H THR 19 H THR 19 8.231 10.408 -2.255 522 HA THR 19 HA THR 19 7.214 10.006 0.347 523 HB THR 19 HB THR 19 8.280 12.047 -1.052 524 HG1 THR 19 HG1 THR 19 6.808 11.923 1.305 525 1HG2 THR 19 1HG2 THR 19 6.085 12.355 -2.285 526 2HG2 THR 19 3HG2 THR 19 5.394 12.904 -0.758 527 3HG2 THR 19 2HG2 THR 19 6.716 13.804 -1.502 528 H LYS 20 H LYS 20 5.514 10.603 -2.693 529 HA LYS 20 HA LYS 20 2.878 10.992 -1.609 530 1HB LYS 20 2HB LYS 20 3.825 9.842 -4.259 531 2HB LYS 20 1HB LYS 20 2.214 10.486 -3.944 532 1HG LYS 20 2HG LYS 20 4.561 12.228 -3.326 533 2HG LYS 20 1HG LYS 20 4.116 12.011 -5.018 534 1HD LYS 20 2HD LYS 20 2.031 12.705 -2.957 535 2HD LYS 20 1HD LYS 20 3.014 13.964 -3.705 536 1HE LYS 20 2HE LYS 20 1.907 13.800 -5.693 537 2HE LYS 20 1HE LYS 20 1.883 12.027 -5.628 538 1HZ LYS 20 2HZ LYS 20 0.321 13.360 -3.583 539 2HZ LYS 20 1HZ LYS 20 -0.267 13.560 -5.165 540 3HZ LYS 20 3HZ LYS 20 -0.063 12.001 -4.528 541 H VAL 21 H VAL 21 4.725 8.134 -2.575 542 HA VAL 21 HA VAL 21 2.551 6.243 -2.133 543 HB VAL 21 HB VAL 21 5.433 6.297 -2.860 544 1HG1 VAL 21 1HG1 VAL 21 4.150 3.973 -1.425 545 2HG1 VAL 21 3HG1 VAL 21 5.441 3.719 -2.599 546 3HG1 VAL 21 2HG1 VAL 21 5.740 4.689 -1.157 547 1HG2 VAL 21 2HG2 VAL 21 2.855 5.443 -3.927 548 2HG2 VAL 21 1HG2 VAL 21 4.340 5.855 -4.785 549 3HG2 VAL 21 3HG2 VAL 21 4.106 4.222 -4.161 550 H GLU 22 H GLU 22 4.835 7.911 -0.163 551 HA GLU 22 HA GLU 22 4.976 5.992 2.018 552 1HB GLU 22 2HB GLU 22 5.770 8.806 1.406 553 2HB GLU 22 1HB GLU 22 5.695 8.348 3.105 554 1HG GLU 22 2HG GLU 22 7.074 6.272 2.385 555 2HG GLU 22 1HG GLU 22 7.418 7.191 0.920 556 H GLU 23 H GLU 23 3.136 8.992 1.408 557 HA GLU 23 HA GLU 23 1.634 8.831 3.897 558 1HB GLU 23 2HB GLU 23 0.333 10.657 2.786 559 2HB GLU 23 1HB GLU 23 2.072 10.938 2.716 560 1HG GLU 23 2HG GLU 23 2.195 10.279 0.435 561 2HG GLU 23 1HG GLU 23 0.590 9.546 0.479 562 H LEU 24 H LEU 24 1.263 7.590 0.639 563 HA LEU 24 HA LEU 24 -1.562 6.941 0.822 564 1HB LEU 24 2HB LEU 24 0.205 7.185 -1.167 565 2HB LEU 24 1HB LEU 24 0.381 5.451 -0.903 566 HG LEU 24 HG LEU 24 -1.344 5.880 -2.597 567 1HD1 LEU 24 1HD1 LEU 24 -1.577 3.995 -0.926 568 2HD1 LEU 24 3HD1 LEU 24 -2.649 5.040 0.005 569 3HD1 LEU 24 2HD1 LEU 24 -3.101 4.541 -1.625 570 1HD2 LEU 24 2HD2 LEU 24 -1.970 8.052 -0.895 571 2HD2 LEU 24 1HD2 LEU 24 -2.775 7.611 -2.402 572 3HD2 LEU 24 3HD2 LEU 24 -3.377 6.988 -0.866 573 H ILE 25 H ILE 25 1.465 5.107 1.287 574 HA ILE 25 HA ILE 25 0.261 2.577 1.872 575 HB ILE 25 HB ILE 25 2.863 3.924 1.959 576 1HG1 ILE 25 2HG1 ILE 25 3.614 1.879 1.007 577 2HG1 ILE 25 1HG1 ILE 25 2.274 0.971 1.706 578 1HG2 ILE 25 1HG2 ILE 25 2.193 1.899 4.101 579 2HG2 ILE 25 3HG2 ILE 25 3.842 2.126 3.516 580 3HG2 ILE 25 2HG2 ILE 25 2.988 3.462 4.288 581 1HD1 ILE 25 3HD1 ILE 25 1.432 3.203 -0.019 582 2HD1 ILE 25 2HD1 ILE 25 2.330 1.942 -0.864 583 3HD1 ILE 25 1HD1 ILE 25 0.861 1.536 0.022 584 H ASN 26 H ASN 26 1.078 5.372 3.919 585 HA ASN 26 HA ASN 26 0.544 4.130 6.455 586 1HB ASN 26 2HB ASN 26 1.640 6.418 5.691 587 2HB ASN 26 1HB ASN 26 -0.005 7.023 5.879 588 1HD2 ASN 26 2HD2 ASN 26 0.691 7.475 9.311 589 2HD2 ASN 26 1HD2 ASN 26 0.213 8.190 7.847 590 H THR 27 H THR 27 -1.486 5.929 4.174 591 HA THR 27 HA THR 27 -3.884 5.998 5.746 592 HB THR 27 HB THR 27 -3.248 6.061 2.786 593 HG1 THR 27 HG1 THR 27 -2.666 7.779 4.358 594 1HG2 THR 27 2HG2 THR 27 -5.892 6.382 4.214 595 2HG2 THR 27 1HG2 THR 27 -5.600 7.040 2.604 596 3HG2 THR 27 3HG2 THR 27 -5.508 5.299 2.876 597 H LEU 28 H LEU 28 -2.481 3.561 3.601 598 HA LEU 28 HA LEU 28 -4.843 1.883 3.442 599 1HB LEU 28 2HB LEU 28 -1.890 1.657 2.895 600 2HB LEU 28 1HB LEU 28 -2.888 0.203 2.852 601 HG LEU 28 HG LEU 28 -3.917 2.586 1.396 602 1HD1 LEU 28 3HD1 LEU 28 -1.474 0.996 0.610 603 2HD1 LEU 28 2HD1 LEU 28 -2.506 1.745 -0.608 604 3HD1 LEU 28 1HD1 LEU 28 -1.694 2.747 0.596 605 1HD2 LEU 28 1HD2 LEU 28 -4.090 -0.375 1.342 606 2HD2 LEU 28 3HD2 LEU 28 -5.330 0.830 0.996 607 3HD2 LEU 28 2HD2 LEU 28 -4.137 0.415 -0.234 608 H GLN 29 H GLN 29 -1.895 1.859 5.435 609 HA GLN 29 HA GLN 29 -2.619 -0.451 7.010 610 1HB GLN 29 2HB GLN 29 -0.361 0.843 6.558 611 2HB GLN 29 1HB GLN 29 -0.862 1.802 7.949 612 1HG GLN 29 2HG GLN 29 -1.297 -0.922 8.628 613 2HG GLN 29 1HG GLN 29 0.317 -0.819 7.923 614 1HE2 GLN 29 2HE2 GLN 29 1.414 1.587 10.466 615 2HE2 GLN 29 1HE2 GLN 29 1.484 1.396 8.782 616 H GLN 30 H GLN 30 -3.696 2.785 6.909 617 HA GLN 30 HA GLN 30 -4.479 3.014 9.730 618 1HB GLN 30 2HB GLN 30 -4.832 4.590 7.180 619 2HB GLN 30 1HB GLN 30 -5.662 5.069 8.660 620 1HG GLN 30 2HG GLN 30 -2.837 4.452 9.098 621 2HG GLN 30 1HG GLN 30 -3.079 5.773 7.962 622 1HE2 GLN 30 2HE2 GLN 30 -4.331 8.018 10.412 623 2HE2 GLN 30 1HE2 GLN 30 -4.110 7.736 8.753 624 H LYS 31 H LYS 31 -6.181 2.758 6.595 625 HA LYS 31 HA LYS 31 -8.798 2.326 7.728 626 1HB LYS 31 2HB LYS 31 -7.411 2.023 5.086 627 2HB LYS 31 1HB LYS 31 -8.986 1.252 5.282 628 1HG LYS 31 2HG LYS 31 -10.010 3.368 5.889 629 2HG LYS 31 1HG LYS 31 -8.439 4.170 5.892 630 1HD LYS 31 2HD LYS 31 -8.273 3.333 3.425 631 2HD LYS 31 1HD LYS 31 -10.022 3.141 3.547 632 1HE LYS 31 2HE LYS 31 -10.073 5.571 4.401 633 2HE LYS 31 1HE LYS 31 -8.406 5.685 3.804 634 1HZ LYS 31 1HZ LYS 31 -10.321 4.405 2.030 635 2HZ LYS 31 3HZ LYS 31 -10.527 6.075 2.244 636 3HZ LYS 31 2HZ LYS 31 -9.048 5.469 1.666 637 H LEU 32 H LEU 32 -6.004 0.361 7.370 638 HA LEU 32 HA LEU 32 -7.406 -2.218 7.383 639 1HB LEU 32 2HB LEU 32 -5.106 -1.470 6.353 640 2HB LEU 32 1HB LEU 32 -4.492 -1.735 7.984 641 HG LEU 32 HG LEU 32 -5.197 -4.043 7.949 642 1HD1 LEU 32 2HD1 LEU 32 -6.575 -3.220 5.390 643 2HD1 LEU 32 1HD1 LEU 32 -6.225 -4.910 5.746 644 3HD1 LEU 32 3HD1 LEU 32 -7.284 -3.986 6.812 645 1HD2 LEU 32 3HD2 LEU 32 -3.842 -3.164 5.385 646 2HD2 LEU 32 2HD2 LEU 32 -3.061 -3.675 6.881 647 3HD2 LEU 32 1HD2 LEU 32 -3.940 -4.847 5.898 648 H GLU 33 H GLU 33 -5.399 -0.313 9.659 649 HA GLU 33 HA GLU 33 -5.665 -2.150 11.870 650 1HB GLU 33 2HB GLU 33 -3.883 -0.492 11.722 651 2HB GLU 33 1HB GLU 33 -5.059 0.821 11.654 652 1HG GLU 33 2HG GLU 33 -4.660 0.931 13.900 653 2HG GLU 33 1HG GLU 33 -5.831 -0.387 13.960 654 H ALA 34 H ALA 34 -7.784 0.135 10.429 655 HA ALA 34 HA ALA 34 -9.480 0.465 12.833 656 1HB ALA 34 1HB ALA 34 -9.031 1.734 10.246 657 2HB ALA 34 3HB ALA 34 -10.750 1.447 10.518 658 3HB ALA 34 2HB ALA 34 -9.820 2.398 11.677 659 H VAL 35 H VAL 35 -9.435 -1.091 9.674 660 HA VAL 35 HA VAL 35 -12.042 -2.239 9.671 661 HB VAL 35 HB VAL 35 -9.387 -2.608 8.378 662 1HG1 VAL 35 1HG1 VAL 35 -10.051 -4.941 9.024 663 2HG1 VAL 35 3HG1 VAL 35 -11.528 -4.726 8.084 664 3HG1 VAL 35 2HG1 VAL 35 -9.956 -4.683 7.284 665 1HG2 VAL 35 1HG2 VAL 35 -11.203 -1.143 7.497 666 2HG2 VAL 35 3HG2 VAL 35 -10.723 -2.396 6.353 667 3HG2 VAL 35 2HG2 VAL 35 -12.210 -2.574 7.281 668 H ALA 36 H ALA 36 -8.943 -3.298 11.068 669 HA ALA 36 HA ALA 36 -9.845 -5.902 11.924 670 1HB ALA 36 1HB ALA 36 -7.541 -4.101 12.208 671 2HB ALA 36 3HB ALA 36 -7.819 -5.091 13.640 672 3HB ALA 36 2HB ALA 36 -7.573 -5.858 12.071 673 H LYS 37 H LYS 37 -10.134 -2.653 13.216 674 HA LYS 37 HA LYS 37 -10.882 -3.516 15.917 675 1HB LYS 37 2HB LYS 37 -10.722 -0.976 14.329 676 2HB LYS 37 1HB LYS 37 -11.675 -0.971 15.813 677 1HG LYS 37 2HG LYS 37 -9.805 -1.548 17.151 678 2HG LYS 37 1HG LYS 37 -8.856 -2.051 15.751 679 1HD LYS 37 2HD LYS 37 -8.218 0.081 15.258 680 2HD LYS 37 1HD LYS 37 -9.797 0.751 15.668 681 1HE LYS 37 2HE LYS 37 -8.667 1.591 17.484 682 2HE LYS 37 1HE LYS 37 -8.915 -0.039 18.141 683 1HZ LYS 37 2HZ LYS 37 -6.616 0.722 16.423 684 2HZ LYS 37 1HZ LYS 37 -6.547 0.684 18.120 685 3HZ LYS 37 3HZ LYS 37 -6.835 -0.744 17.252 686 H ARG 38 H ARG 38 -12.518 -2.918 12.883 687 HA ARG 38 HA ARG 38 -15.192 -2.784 14.088 688 1HB ARG 38 2HB ARG 38 -14.345 -3.225 11.208 689 2HB ARG 38 1HB ARG 38 -15.862 -2.531 11.782 690 1HG ARG 38 2HG ARG 38 -13.966 -0.924 12.985 691 2HG ARG 38 1HG ARG 38 -13.253 -1.250 11.404 692 1HD ARG 38 2HD ARG 38 -14.674 0.243 10.477 693 2HD ARG 38 1HD ARG 38 -16.045 -0.740 11.027 694 HE ARG 38 HE ARG 38 -15.092 0.617 13.302 695 1HH1 ARG 38 2HH1 ARG 38 -17.066 0.976 10.553 696 2HH1 ARG 38 1HH1 ARG 38 -17.528 2.608 10.909 697 1HH2 ARG 38 1HH2 ARG 38 -15.403 2.889 13.637 698 2HH2 ARG 38 2HH2 ARG 38 -16.583 3.694 12.657 699 H ILE 39 H ILE 39 -13.047 -5.132 12.596 700 HA ILE 39 HA ILE 39 -14.963 -7.262 12.253 701 HB ILE 39 HB ILE 39 -11.974 -6.943 12.387 702 1HG1 ILE 39 2HG1 ILE 39 -13.473 -6.462 10.342 703 2HG1 ILE 39 1HG1 ILE 39 -12.073 -7.499 10.079 704 1HG2 ILE 39 2HG2 ILE 39 -13.510 -9.550 12.386 705 2HG2 ILE 39 1HG2 ILE 39 -11.852 -9.422 11.800 706 3HG2 ILE 39 3HG2 ILE 39 -12.222 -9.053 13.483 707 1HD1 ILE 39 2HD1 ILE 39 -14.409 -9.028 10.926 708 2HD1 ILE 39 1HD1 ILE 39 -14.714 -8.127 9.443 709 3HD1 ILE 39 3HD1 ILE 39 -13.369 -9.261 9.523 710 H GLU 40 H GLU 40 -12.587 -6.498 14.824 711 HA GLU 40 HA GLU 40 -13.308 -8.679 16.548 712 1HB GLU 40 2HB GLU 40 -12.210 -7.239 18.275 713 2HB GLU 40 1HB GLU 40 -11.255 -7.329 16.794 714 1HG GLU 40 2HG GLU 40 -11.240 -5.040 17.141 715 2HG GLU 40 1HG GLU 40 -12.687 -5.192 16.147 716 H ALA 41 H ALA 41 -14.569 -5.431 16.022 717 HA ALA 41 HA ALA 41 -16.353 -5.169 18.196 718 1HB ALA 41 2HB ALA 41 -15.766 -3.914 15.740 719 2HB ALA 41 1HB ALA 41 -17.484 -4.299 15.661 720 3HB ALA 41 3HB ALA 41 -16.862 -3.316 16.986 721 H LEU 42 H LEU 42 -16.675 -6.901 15.118 722 HA LEU 42 HA LEU 42 -19.399 -7.815 15.646 723 1HB LEU 42 2HB LEU 42 -17.195 -8.453 13.678 724 2HB LEU 42 1HB LEU 42 -18.645 -9.443 13.727 725 HG LEU 42 HG LEU 42 -19.363 -7.931 12.165 726 1HD1 LEU 42 1HD1 LEU 42 -20.828 -7.532 14.133 727 2HD1 LEU 42 3HD1 LEU 42 -19.763 -6.218 14.635 728 3HD1 LEU 42 2HD1 LEU 42 -20.663 -6.096 13.123 729 1HD2 LEU 42 1HD2 LEU 42 -16.993 -6.775 12.563 730 2HD2 LEU 42 3HD2 LEU 42 -18.262 -5.991 11.621 731 3HD2 LEU 42 2HD2 LEU 42 -18.005 -5.535 13.306 732 H GLU 43 H GLU 43 -16.135 -8.996 16.212 733 HA GLU 43 HA GLU 43 -16.878 -11.698 16.940 734 1HB GLU 43 2HB GLU 43 -14.508 -9.954 17.683 735 2HB GLU 43 1HB GLU 43 -14.558 -11.717 17.782 736 1HG GLU 43 2HG GLU 43 -15.401 -11.232 15.203 737 2HG GLU 43 1HG GLU 43 -14.176 -9.989 15.447 738 H ASN 44 H ASN 44 -17.266 -8.671 18.465 739 HA ASN 44 HA ASN 44 -17.059 -9.538 21.238 740 1HB ASN 44 2HB ASN 44 -18.175 -7.175 19.727 741 2HB ASN 44 1HB ASN 44 -18.431 -7.324 21.467 742 1HD2 ASN 44 2HD2 ASN 44 -14.441 -7.470 20.743 743 2HD2 ASN 44 1HD2 ASN 44 -15.480 -8.689 20.184 744 H LYS 45 H LYS 45 -19.525 -9.626 18.755 745 HA LYS 45 HA LYS 45 -21.462 -10.712 20.782 746 1HB LYS 45 2HB LYS 45 -23.191 -9.714 19.221 747 2HB LYS 45 1HB LYS 45 -22.160 -8.526 20.018 748 1HG LYS 45 2HG LYS 45 -21.217 -9.598 17.401 749 2HG LYS 45 1HG LYS 45 -22.584 -8.485 17.371 750 1HD LYS 45 2HD LYS 45 -20.069 -7.859 18.920 751 2HD LYS 45 1HD LYS 45 -20.244 -7.441 17.219 752 1HE LYS 45 2HE LYS 45 -22.593 -6.472 18.161 753 2HE LYS 45 1HE LYS 45 -21.567 -6.247 19.592 754 1HZ LYS 45 3HZ LYS 45 -20.512 -5.569 16.932 755 2HZ LYS 45 2HZ LYS 45 -21.549 -4.471 17.711 756 3HZ LYS 45 1HZ LYS 45 -20.090 -4.933 18.447 757 H ILE 46 H ILE 46 -19.587 -11.402 18.067 758 HA ILE 46 HA ILE 46 -21.487 -13.485 17.069 759 HB ILE 46 HB ILE 46 -18.949 -12.253 15.935 760 1HG1 ILE 46 2HG1 ILE 46 -20.576 -10.647 15.493 761 2HG1 ILE 46 1HG1 ILE 46 -20.787 -11.691 14.094 762 1HG2 ILE 46 3HG2 ILE 46 -20.401 -14.709 15.281 763 2HG2 ILE 46 2HG2 ILE 46 -20.238 -13.624 13.900 764 3HG2 ILE 46 1HG2 ILE 46 -18.801 -14.177 14.761 765 1HD1 ILE 46 3HD1 ILE 46 -22.585 -12.914 15.345 766 2HD1 ILE 46 2HD1 ILE 46 -22.436 -11.721 16.635 767 3HD1 ILE 46 1HD1 ILE 46 -22.973 -11.221 15.032 768 H ILE 47 HN ILE 47 -18.470 -12.945 18.723 769 HA ILE 47 HA ILE 47 -17.045 -15.325 18.357 770 HB ILE 47 HB ILE 47 -16.249 -13.474 19.702 771 1HG1 ILE 47 2HG1 ILE 47 -16.690 -15.667 21.720 772 2HG1 ILE 47 1HG1 ILE 47 -15.671 -15.943 20.308 773 1HG2 ILE 47 3HG2 ILE 47 -18.723 -13.120 20.571 774 2HG2 ILE 47 2HG2 ILE 47 -18.172 -14.132 21.906 775 3HG2 ILE 47 1HG2 ILE 47 -17.353 -12.608 21.559 776 1HD1 ILE 47 3HD1 ILE 47 -15.263 -13.533 22.076 777 2HD1 ILE 47 2HD1 ILE 47 -14.518 -15.085 22.459 778 3HD1 ILE 47 1HD1 ILE 47 -14.127 -14.270 20.944 779 1H GLY 1 1H GLY 1 27.280 21.183 9.447 780 2H GLY 1 3H GLY 1 27.090 21.141 11.132 781 3H GLY 1 2H GLY 1 28.371 20.296 10.401 782 1HA GLY 1 2HA GLY 1 26.657 18.749 11.028 783 2HA GLY 1 1HA GLY 1 25.479 19.691 10.112 784 H SER 2 H SER 2 25.922 16.996 9.496 785 HA SER 2 HA SER 2 26.518 17.154 6.673 786 1HB SER 2 2HB SER 2 28.585 15.586 6.982 787 2HB SER 2 1HB SER 2 28.793 17.313 7.262 788 HG SER 2 HG SER 2 29.608 15.837 8.936 789 H HIS 3 H HIS 3 26.965 14.740 9.297 790 HA HIS 3 HA HIS 3 25.885 12.660 9.636 791 1HB HIS 3 2HB HIS 3 24.004 14.489 8.736 792 2HB HIS 3 1HB HIS 3 23.807 13.140 7.617 793 HD1 HIS 3 HD1 HIS 3 21.848 11.856 8.497 794 HD2 HIS 3 HD2 HIS 3 24.492 12.922 11.538 795 HE1 HIS 3 HE1 HIS 3 21.001 10.740 10.608 796 H MET 4 H MET 4 26.044 10.601 8.658 797 HA MET 4 HA MET 4 27.652 10.297 6.329 798 1HB MET 4 2HB MET 4 26.297 8.705 8.311 799 2HB MET 4 1HB MET 4 26.037 7.988 6.720 800 1HG MET 4 2HG MET 4 28.598 8.373 6.393 801 2HG MET 4 1HG MET 4 28.634 8.505 8.151 802 1HE MET 4 3HE MET 4 28.966 6.757 5.281 803 2HE MET 4 2HE MET 4 30.044 5.746 6.240 804 3HE MET 4 1HE MET 4 28.619 5.034 5.486 805 H GLU 5 H GLU 5 26.852 11.289 4.450 806 HA GLU 5 HA GLU 5 24.591 9.967 3.121 807 1HB GLU 5 2HB GLU 5 23.775 11.810 4.775 808 2HB GLU 5 1HB GLU 5 24.404 12.942 3.576 809 1HG GLU 5 2HG GLU 5 22.813 10.827 2.348 810 2HG GLU 5 1HG GLU 5 21.886 11.745 3.536 811 H GLU 6 H GLU 6 26.312 9.543 1.555 812 HA GLU 6 HA GLU 6 27.123 11.969 -0.019 813 1HB GLU 6 2HB GLU 6 28.643 9.995 1.313 814 2HB GLU 6 1HB GLU 6 28.791 9.635 -0.407 815 1HG GLU 6 2HG GLU 6 29.194 12.216 -0.638 816 2HG GLU 6 1HG GLU 6 29.588 12.124 1.078 817 H ASP 7 H ASP 7 26.120 11.979 -1.986 818 HA ASP 7 HA ASP 7 26.172 9.796 -3.807 819 1HB ASP 7 2HB ASP 7 24.479 9.197 -1.862 820 2HB ASP 7 1HB ASP 7 23.397 10.257 -2.766 821 HA PRO 8 HA PRO 8 25.186 13.297 -6.297 822 1HB PRO 8 2HB PRO 8 24.763 11.996 -8.670 823 2HB PRO 8 1HB PRO 8 26.380 12.264 -7.987 824 1HG PRO 8 2HG PRO 8 24.695 9.813 -7.958 825 2HG PRO 8 1HG PRO 8 26.448 9.978 -8.143 826 1HD PRO 8 2HD PRO 8 25.231 9.236 -5.810 827 2HD PRO 8 1HD PRO 8 26.810 10.048 -5.887 828 H CYS 9 H CYS 9 23.132 10.420 -6.928 829 HA CYS 9 HA CYS 9 20.728 12.146 -6.574 830 1HB CYS 9 2HB CYS 9 21.716 10.643 -8.958 831 2HB CYS 9 1HB CYS 9 19.978 10.651 -8.665 832 H GLU 10 H GLU 10 21.737 10.284 -4.683 833 HA GLU 10 HA GLU 10 21.207 8.273 -3.545 834 1HB GLU 10 2HB GLU 10 18.649 9.542 -4.520 835 2HB GLU 10 1HB GLU 10 18.616 8.099 -3.506 836 1HG GLU 10 2HG GLU 10 18.864 9.421 -1.705 837 2HG GLU 10 1HG GLU 10 20.472 9.841 -2.295 838 H CYS 11 H CYS 11 22.083 7.695 -6.206 839 HA CYS 11 HA CYS 11 20.450 6.205 -7.881 840 1HB CYS 11 2HB CYS 11 23.306 6.107 -7.010 841 2HB CYS 11 1HB CYS 11 22.709 4.778 -8.007 842 H LYS 12 H LYS 12 21.697 5.306 -4.714 843 HA LYS 12 HA LYS 12 20.291 2.666 -4.944 844 1HB LYS 12 2HB LYS 12 22.825 3.627 -3.662 845 2HB LYS 12 1HB LYS 12 21.983 2.256 -2.938 846 1HG LYS 12 2HG LYS 12 23.181 1.046 -4.454 847 2HG LYS 12 1HG LYS 12 21.910 1.551 -5.567 848 1HD LYS 12 2HD LYS 12 23.424 3.685 -5.870 849 2HD LYS 12 1HD LYS 12 24.698 2.625 -5.263 850 1HE LYS 12 2HE LYS 12 23.281 1.092 -7.171 851 2HE LYS 12 1HE LYS 12 23.531 2.689 -7.906 852 1HZ LYS 12 2HZ LYS 12 25.865 2.552 -7.042 853 2HZ LYS 12 1HZ LYS 12 25.575 0.917 -6.686 854 3HZ LYS 12 3HZ LYS 12 25.503 1.460 -8.291 855 H SER 13 H SER 13 20.279 5.711 -3.395 856 HA SER 13 HA SER 13 19.137 4.834 -0.841 857 1HB SER 13 2HB SER 13 19.868 7.347 -2.258 858 2HB SER 13 1HB SER 13 18.667 7.490 -0.982 859 HG SER 13 HG SER 13 20.143 6.469 0.417 860 H ILE 14 H ILE 14 17.938 5.864 -3.964 861 HA ILE 14 HA ILE 14 15.175 6.295 -3.097 862 HB ILE 14 HB ILE 14 16.648 6.079 -5.736 863 1HG1 ILE 14 2HG1 ILE 14 15.272 8.511 -4.652 864 2HG1 ILE 14 1HG1 ILE 14 16.844 8.055 -4.007 865 1HG2 ILE 14 1HG2 ILE 14 14.107 5.423 -5.706 866 2HG2 ILE 14 3HG2 ILE 14 13.853 7.155 -5.487 867 3HG2 ILE 14 2HG2 ILE 14 14.689 6.562 -6.919 868 1HD1 ILE 14 2HD1 ILE 14 16.282 8.378 -6.964 869 2HD1 ILE 14 1HD1 ILE 14 16.961 9.654 -5.955 870 3HD1 ILE 14 3HD1 ILE 14 17.855 8.153 -6.197 871 H VAL 15 H VAL 15 17.052 3.776 -4.717 872 HA VAL 15 HA VAL 15 14.693 2.047 -5.057 873 HB VAL 15 HB VAL 15 17.442 0.955 -5.391 874 1HG1 VAL 15 3HG1 VAL 15 14.799 0.969 -6.796 875 2HG1 VAL 15 2HG1 VAL 15 16.242 0.616 -7.746 876 3HG1 VAL 15 1HG1 VAL 15 15.827 -0.396 -6.362 877 1HG2 VAL 15 3HG2 VAL 15 16.497 3.466 -6.756 878 2HG2 VAL 15 2HG2 VAL 15 18.120 3.038 -6.223 879 3HG2 VAL 15 1HG2 VAL 15 17.450 2.302 -7.677 880 H LYS 16 H LYS 16 17.092 2.733 -2.713 881 HA LYS 16 HA LYS 16 17.036 0.189 -1.287 882 1HB LYS 16 2HB LYS 16 18.926 1.562 -0.896 883 2HB LYS 16 1HB LYS 16 17.950 3.026 -0.789 884 1HG LYS 16 2HG LYS 16 17.141 1.119 1.231 885 2HG LYS 16 1HG LYS 16 18.867 1.455 1.351 886 1HD LYS 16 2HD LYS 16 18.147 3.955 1.094 887 2HD LYS 16 1HD LYS 16 16.556 3.366 1.580 888 1HE LYS 16 2HE LYS 16 19.146 3.115 3.149 889 2HE LYS 16 1HE LYS 16 17.696 4.032 3.607 890 1HZ LYS 16 3HZ LYS 16 16.551 1.739 3.196 891 2HZ LYS 16 2HZ LYS 16 18.102 1.125 3.517 892 3HZ LYS 16 1HZ LYS 16 17.299 2.064 4.683 893 H PHE 17 H PHE 17 15.425 3.335 -1.127 894 HA PHE 17 HA PHE 17 13.764 2.758 1.170 895 1HB PHE 17 2HB PHE 17 13.946 5.029 0.681 896 2HB PHE 17 1HB PHE 17 13.960 4.753 -1.059 897 HD1 PHE 17 HD2 PHE 17 11.782 4.055 -2.200 898 HD2 PHE 17 HD1 PHE 17 11.943 5.594 1.808 899 HE1 PHE 17 HE2 PHE 17 9.363 4.580 -2.306 900 HE2 PHE 17 HE1 PHE 17 9.524 6.121 1.702 901 HZ PHE 17 HZ PHE 17 8.231 5.615 -0.354 902 H GLN 18 H GLN 18 13.551 2.217 -2.306 903 HA GLN 18 HA GLN 18 10.811 1.561 -2.589 904 1HB GLN 18 2HB GLN 18 13.398 0.873 -3.904 905 2HB GLN 18 1HB GLN 18 11.992 -0.100 -4.337 906 1HG GLN 18 2HG GLN 18 10.751 2.065 -4.769 907 2HG GLN 18 1HG GLN 18 12.294 2.901 -4.583 908 1HE2 GLN 18 2HE2 GLN 18 12.560 2.386 -8.106 909 2HE2 GLN 18 1HE2 GLN 18 12.204 3.527 -6.902 910 H THR 19 H THR 19 13.546 -0.614 -1.836 911 HA THR 19 HA THR 19 12.110 -3.031 -1.559 912 HB THR 19 HB THR 19 14.675 -2.256 -1.363 913 HG1 THR 19 HG1 THR 19 13.292 -4.508 -0.530 914 1HG2 THR 19 1HG2 THR 19 14.204 -1.209 0.903 915 2HG2 THR 19 3HG2 THR 19 13.968 -2.843 1.520 916 3HG2 THR 19 2HG2 THR 19 15.536 -2.363 0.874 917 H LYS 20 H LYS 20 12.526 -0.354 0.708 918 HA LYS 20 HA LYS 20 11.352 -1.607 3.017 919 1HB LYS 20 2HB LYS 20 11.450 1.296 2.122 920 2HB LYS 20 1HB LYS 20 11.151 0.749 3.771 921 1HG LYS 20 2HG LYS 20 13.608 -0.241 2.382 922 2HG LYS 20 1HG LYS 20 13.600 1.417 2.980 923 1HD LYS 20 2HD LYS 20 12.708 -0.852 4.748 924 2HD LYS 20 1HD LYS 20 14.420 -0.462 4.582 925 1HE LYS 20 2HE LYS 20 14.220 1.445 5.825 926 2HE LYS 20 1HE LYS 20 12.677 1.881 5.063 927 1HZ LYS 20 2HZ LYS 20 12.626 -0.534 6.661 928 2HZ LYS 20 1HZ LYS 20 12.881 0.892 7.546 929 3HZ LYS 20 3HZ LYS 20 11.500 0.735 6.575 930 H VAL 21 H VAL 21 10.033 0.184 0.272 931 HA VAL 21 HA VAL 21 7.293 0.231 1.269 932 HB VAL 21 HB VAL 21 8.885 1.028 -1.107 933 1HG1 VAL 21 1HG1 VAL 21 5.967 0.276 -1.288 934 2HG1 VAL 21 3HG1 VAL 21 6.672 1.498 -2.347 935 3HG1 VAL 21 2HG1 VAL 21 7.280 -0.158 -2.383 936 1HG2 VAL 21 2HG2 VAL 21 7.218 2.186 0.965 937 2HG2 VAL 21 1HG2 VAL 21 8.409 2.971 -0.072 938 3HG2 VAL 21 3HG2 VAL 21 6.746 2.780 -0.627 939 H GLU 22 H GLU 22 9.327 -2.038 -0.346 940 HA GLU 22 HA GLU 22 7.256 -3.581 -1.681 941 1HB GLU 22 2HB GLU 22 10.165 -3.769 -1.009 942 2HB GLU 22 1HB GLU 22 9.340 -5.265 -1.440 943 1HG GLU 22 2HG GLU 22 8.421 -3.946 -3.467 944 2HG GLU 22 1HG GLU 22 9.683 -2.770 -3.099 945 H GLU 23 H GLU 23 9.078 -3.912 1.373 946 HA GLU 23 HA GLU 23 7.650 -6.297 2.234 947 1HB GLU 23 2HB GLU 23 8.882 -5.843 4.334 948 2HB GLU 23 1HB GLU 23 9.947 -5.673 2.938 949 1HG GLU 23 2HG GLU 23 9.796 -3.279 3.006 950 2HG GLU 23 1HG GLU 23 8.492 -3.334 4.191 951 H LEU 24 H LEU 24 7.178 -2.836 2.515 952 HA LEU 24 HA LEU 24 5.267 -2.928 4.700 953 1HB LEU 24 2HB LEU 24 6.773 -1.024 3.609 954 2HB LEU 24 1HB LEU 24 5.337 -0.772 2.616 955 HG LEU 24 HG LEU 24 5.223 0.654 4.601 956 1HD1 LEU 24 1HD1 LEU 24 3.148 -0.461 3.689 957 2HD1 LEU 24 3HD1 LEU 24 3.337 -1.695 4.935 958 3HD1 LEU 24 2HD1 LEU 24 3.039 -0.018 5.392 959 1HD2 LEU 24 2HD2 LEU 24 6.462 -1.540 5.843 960 2HD2 LEU 24 1HD2 LEU 24 5.930 -0.053 6.627 961 3HD2 LEU 24 3HD2 LEU 24 4.859 -1.452 6.573 962 H ILE 25 H ILE 25 5.016 -2.767 1.146 963 HA ILE 25 HA ILE 25 2.158 -2.620 1.016 964 HB ILE 25 HB ILE 25 4.483 -2.996 -0.724 965 1HG1 ILE 25 2HG1 ILE 25 3.297 -1.482 -2.126 966 2HG1 ILE 25 1HG1 ILE 25 1.741 -1.944 -1.437 967 1HG2 ILE 25 1HG2 ILE 25 1.939 -4.508 -1.341 968 2HG2 ILE 25 3HG2 ILE 25 3.016 -3.942 -2.618 969 3HG2 ILE 25 2HG2 ILE 25 3.602 -5.091 -1.416 970 1HD1 ILE 25 3HD1 ILE 25 3.644 -0.957 0.569 971 2HD1 ILE 25 2HD1 ILE 25 3.237 0.244 -0.657 972 3HD1 ILE 25 1HD1 ILE 25 1.960 -0.507 0.300 973 H ASN 26 H ASN 26 4.426 -5.365 1.193 974 HA ASN 26 HA ASN 26 2.502 -7.446 0.711 975 1HB ASN 26 2HB ASN 26 5.150 -7.345 0.884 976 2HB ASN 26 1HB ASN 26 4.838 -7.762 2.569 977 1HD2 ASN 26 2HD2 ASN 26 4.751 -11.142 1.550 978 2HD2 ASN 26 1HD2 ASN 26 5.500 -9.970 2.521 979 H THR 27 H THR 27 3.632 -5.845 3.666 980 HA THR 27 HA THR 27 2.176 -7.430 5.561 981 HB THR 27 HB THR 27 3.217 -4.585 5.500 982 HG1 THR 27 HG1 THR 27 4.613 -6.525 5.443 983 1HG2 THR 27 2HG2 THR 27 2.067 -6.178 7.807 984 2HG2 THR 27 1HG2 THR 27 3.003 -4.697 8.002 985 3HG2 THR 27 3HG2 THR 27 1.452 -4.656 7.162 986 H LEU 28 H LEU 28 1.284 -4.643 3.574 987 HA LEU 28 HA LEU 28 -1.217 -4.073 4.931 988 1HB LEU 28 2HB LEU 28 0.134 -3.397 2.329 989 2HB LEU 28 1HB LEU 28 -1.566 -2.983 2.542 990 HG LEU 28 HG LEU 28 0.258 -2.280 4.780 991 1HD1 LEU 28 3HD1 LEU 28 0.303 -0.945 2.064 992 2HD1 LEU 28 2HD1 LEU 28 0.799 -0.112 3.538 993 3HD1 LEU 28 1HD1 LEU 28 1.675 -1.544 2.999 994 1HD2 LEU 28 1HD2 LEU 28 -2.293 -1.418 3.556 995 2HD2 LEU 28 3HD2 LEU 28 -1.796 -1.400 5.247 996 3HD2 LEU 28 2HD2 LEU 28 -1.285 -0.105 4.166 997 H GLN 29 H GLN 29 -0.322 -5.887 2.005 998 HA GLN 29 HA GLN 29 -2.999 -6.763 1.358 999 1HB GLN 29 2HB GLN 29 -0.721 -6.618 0.024 1000 2HB GLN 29 1HB GLN 29 -0.470 -8.242 0.664 1001 1HG GLN 29 2HG GLN 29 -3.151 -8.100 -0.302 1002 2HG GLN 29 1HG GLN 29 -2.092 -7.452 -1.556 1003 1HE2 GLN 29 2HE2 GLN 29 -0.201 -10.580 -1.777 1004 2HE2 GLN 29 1HE2 GLN 29 0.092 -8.910 -1.700 1005 H GLN 30 H GLN 30 -0.758 -7.609 3.781 1006 HA GLN 30 HA GLN 30 -1.601 -10.408 4.105 1007 1HB GLN 30 2HB GLN 30 0.187 -8.433 5.527 1008 2HB GLN 30 1HB GLN 30 -0.160 -10.010 6.235 1009 1HG GLN 30 2HG GLN 30 0.533 -10.217 3.413 1010 2HG GLN 30 1HG GLN 30 1.815 -9.463 4.355 1011 1HE2 GLN 30 2HE2 GLN 30 2.550 -12.413 6.223 1012 2HE2 GLN 30 1HE2 GLN 30 2.733 -10.726 6.173 1013 H LYS 31 H LYS 31 -1.863 -7.384 5.993 1014 HA LYS 31 HA LYS 31 -3.722 -8.422 7.935 1015 1HB LYS 31 2HB LYS 31 -2.622 -5.807 7.024 1016 2HB LYS 31 1HB LYS 31 -4.143 -5.740 7.916 1017 1HG LYS 31 2HG LYS 31 -3.170 -6.926 9.788 1018 2HG LYS 31 1HG LYS 31 -1.685 -7.224 8.883 1019 1HD LYS 31 2HD LYS 31 -1.653 -4.592 8.663 1020 2HD LYS 31 1HD LYS 31 -2.681 -4.669 10.095 1021 1HE LYS 31 2HE LYS 31 -0.886 -6.261 11.073 1022 2HE LYS 31 1HE LYS 31 0.160 -5.647 9.778 1023 1HZ LYS 31 1HZ LYS 31 -1.403 -3.662 11.216 1024 2HZ LYS 31 3HZ LYS 31 -0.152 -4.389 12.103 1025 3HZ LYS 31 2HZ LYS 31 0.198 -3.582 10.649 1026 H LEU 32 H LEU 32 -4.002 -7.401 4.659 1027 HA LEU 32 HA LEU 32 -6.863 -6.753 4.753 1028 1HB LEU 32 2HB LEU 32 -4.877 -5.928 3.213 1029 2HB LEU 32 1HB LEU 32 -5.259 -7.379 2.288 1030 HG LEU 32 HG LEU 32 -7.532 -6.649 1.944 1031 1HD1 LEU 32 2HD1 LEU 32 -6.782 -4.528 3.957 1032 2HD1 LEU 32 1HD1 LEU 32 -8.126 -4.288 2.843 1033 3HD1 LEU 32 3HD1 LEU 32 -8.157 -5.630 3.986 1034 1HD2 LEU 32 3HD2 LEU 32 -5.511 -4.426 1.519 1035 2HD2 LEU 32 2HD2 LEU 32 -5.944 -5.698 0.377 1036 3HD2 LEU 32 1HD2 LEU 32 -7.115 -4.444 0.787 1037 H GLU 33 H GLU 33 -4.816 -9.393 3.474 1038 HA GLU 33 HA GLU 33 -7.002 -11.015 2.523 1039 1HB GLU 33 2HB GLU 33 -4.710 -11.262 1.726 1040 2HB GLU 33 1HB GLU 33 -4.141 -11.606 3.359 1041 1HG GLU 33 2HG GLU 33 -4.344 -13.768 2.594 1042 2HG GLU 33 1HG GLU 33 -5.992 -13.533 3.179 1043 H ALA 34 H ALA 34 -5.740 -10.351 5.648 1044 HA ALA 34 HA ALA 34 -6.843 -12.811 6.877 1045 1HB ALA 34 1HB ALA 34 -4.844 -10.820 7.445 1046 2HB ALA 34 3HB ALA 34 -6.012 -10.832 8.766 1047 3HB ALA 34 2HB ALA 34 -5.166 -12.315 8.324 1048 H VAL 35 H VAL 35 -7.393 -9.343 6.619 1049 HA VAL 35 HA VAL 35 -9.585 -9.100 8.439 1050 HB VAL 35 HB VAL 35 -8.332 -7.636 6.173 1051 1HG1 VAL 35 1HG1 VAL 35 -10.767 -7.609 5.583 1052 2HG1 VAL 35 3HG1 VAL 35 -11.090 -6.858 7.146 1053 3HG1 VAL 35 2HG1 VAL 35 -10.111 -6.013 5.946 1054 1HG2 VAL 35 1HG2 VAL 35 -7.792 -7.321 8.609 1055 2HG2 VAL 35 3HG2 VAL 35 -8.279 -5.836 7.791 1056 3HG2 VAL 35 2HG2 VAL 35 -9.421 -6.684 8.834 1057 H ALA 36 H ALA 36 -9.352 -10.040 5.015 1058 HA ALA 36 HA ALA 36 -12.202 -10.130 4.518 1059 1HB ALA 36 1HB ALA 36 -9.657 -10.820 3.219 1060 2HB ALA 36 3HB ALA 36 -10.969 -11.917 2.790 1061 3HB ALA 36 2HB ALA 36 -11.139 -10.185 2.505 1062 H LYS 37 H LYS 37 -9.880 -12.282 6.009 1063 HA LYS 37 HA LYS 37 -11.583 -14.663 5.821 1064 1HB LYS 37 2HB LYS 37 -8.937 -13.860 6.900 1065 2HB LYS 37 1HB LYS 37 -9.727 -15.185 7.755 1066 1HG LYS 37 2HG LYS 37 -9.793 -16.550 5.839 1067 2HG LYS 37 1HG LYS 37 -9.551 -15.185 4.747 1068 1HD LYS 37 2HD LYS 37 -7.273 -15.097 5.135 1069 2HD LYS 37 1HD LYS 37 -7.417 -15.771 6.758 1070 1HE LYS 37 2HE LYS 37 -6.751 -17.744 5.842 1071 2HE LYS 37 1HE LYS 37 -8.356 -17.814 5.084 1072 1HZ LYS 37 2HZ LYS 37 -6.091 -16.271 3.947 1073 2HZ LYS 37 1HZ LYS 37 -6.431 -17.873 3.493 1074 3HZ LYS 37 3HZ LYS 37 -7.569 -16.650 3.199 1075 H ARG 38 H ARG 38 -11.155 -11.986 8.029 1076 HA ARG 38 HA ARG 38 -12.579 -13.295 10.239 1077 1HB ARG 38 2HB ARG 38 -11.931 -10.366 9.804 1078 2HB ARG 38 1HB ARG 38 -12.150 -11.201 11.340 1079 1HG ARG 38 2HG ARG 38 -10.142 -12.663 10.104 1080 2HG ARG 38 1HG ARG 38 -9.764 -10.998 9.665 1081 1HD ARG 38 2HD ARG 38 -8.873 -10.732 11.726 1082 2HD ARG 38 1HD ARG 38 -10.504 -10.932 12.396 1083 HE ARG 38 HE ARG 38 -9.619 -13.523 11.789 1084 1HH1 ARG 38 2HH1 ARG 38 -9.452 -11.134 14.192 1085 2HH1 ARG 38 1HH1 ARG 38 -8.351 -12.007 15.206 1086 1HH2 ARG 38 1HH2 ARG 38 -7.837 -14.553 12.913 1087 2HH2 ARG 38 2HH2 ARG 38 -7.438 -13.940 14.483 1088 H ILE 39 H ILE 39 -13.213 -11.069 7.584 1089 HA ILE 39 HA ILE 39 -15.856 -10.241 8.359 1090 HB ILE 39 HB ILE 39 -14.205 -10.355 5.847 1091 1HG1 ILE 39 2HG1 ILE 39 -13.987 -8.594 7.702 1092 2HG1 ILE 39 1HG1 ILE 39 -14.206 -7.977 6.065 1093 1HG2 ILE 39 2HG2 ILE 39 -17.147 -9.681 6.058 1094 2HG2 ILE 39 1HG2 ILE 39 -16.130 -9.059 4.759 1095 3HG2 ILE 39 3HG2 ILE 39 -16.365 -10.798 4.938 1096 1HD1 ILE 39 2HD1 ILE 39 -16.706 -8.501 7.558 1097 2HD1 ILE 39 1HD1 ILE 39 -15.714 -7.189 8.187 1098 3HD1 ILE 39 3HD1 ILE 39 -16.278 -7.143 6.520 1099 H GLU 40 H GLU 40 -14.671 -12.836 6.197 1100 HA GLU 40 HA GLU 40 -17.263 -13.896 5.550 1101 1HB GLU 40 2HB GLU 40 -15.917 -15.901 4.924 1102 2HB GLU 40 1HB GLU 40 -15.173 -14.415 4.331 1103 1HG GLU 40 2HG GLU 40 -13.340 -15.462 5.300 1104 2HG GLU 40 1HG GLU 40 -13.919 -14.483 6.647 1105 H ALA 41 H ALA 41 -15.005 -14.348 8.219 1106 HA ALA 41 HA ALA 41 -16.156 -16.591 9.512 1107 1HB ALA 41 2HB ALA 41 -14.217 -14.604 9.989 1108 2HB ALA 41 1HB ALA 41 -15.349 -14.469 11.335 1109 3HB ALA 41 3HB ALA 41 -14.548 -16.005 11.007 1110 H LEU 42 H LEU 42 -17.039 -13.156 9.541 1111 HA LEU 42 HA LEU 42 -19.236 -13.487 11.442 1112 1HB LEU 42 2HB LEU 42 -18.243 -11.352 9.549 1113 2HB LEU 42 1HB LEU 42 -19.786 -11.154 10.368 1114 HG LEU 42 HG LEU 42 -18.485 -10.138 11.946 1115 1HD1 LEU 42 1HD1 LEU 42 -19.298 -12.205 13.066 1116 2HD1 LEU 42 3HD1 LEU 42 -17.786 -13.006 12.634 1117 3HD1 LEU 42 2HD1 LEU 42 -17.771 -11.633 13.740 1118 1HD2 LEU 42 1HD2 LEU 42 -16.465 -10.799 10.297 1119 2HD2 LEU 42 3HD2 LEU 42 -16.203 -10.086 11.888 1120 3HD2 LEU 42 2HD2 LEU 42 -16.061 -11.830 11.669 1121 H GLU 43 H GLU 43 -18.804 -13.622 7.964 1122 HA GLU 43 HA GLU 43 -21.624 -13.541 7.288 1123 1HB GLU 43 2HB GLU 43 -19.193 -14.673 5.859 1124 2HB GLU 43 1HB GLU 43 -20.739 -14.281 5.100 1125 1HG GLU 43 2HG GLU 43 -20.145 -11.968 6.465 1126 2HG GLU 43 1HG GLU 43 -18.556 -12.501 5.917 1127 H ASN 44 H ASN 44 -19.595 -15.879 8.725 1128 HA ASN 44 HA ASN 44 -20.901 -18.276 7.716 1129 1HB ASN 44 2HB ASN 44 -19.030 -17.539 9.961 1130 2HB ASN 44 1HB ASN 44 -19.704 -19.165 9.870 1131 1HD2 ASN 44 2HD2 ASN 44 -17.824 -18.368 6.362 1132 2HD2 ASN 44 1HD2 ASN 44 -19.201 -17.499 6.837 1133 H LYS 45 H LYS 45 -21.546 -15.951 10.247 1134 HA LYS 45 HA LYS 45 -23.856 -17.645 11.153 1135 1HB LYS 45 2HB LYS 45 -23.440 -16.524 13.384 1136 2HB LYS 45 1HB LYS 45 -22.133 -17.584 12.854 1137 1HG LYS 45 2HG LYS 45 -21.989 -14.734 12.002 1138 2HG LYS 45 1HG LYS 45 -21.679 -15.079 13.705 1139 1HD LYS 45 2HD LYS 45 -20.330 -16.640 11.500 1140 2HD LYS 45 1HD LYS 45 -19.657 -15.136 12.119 1141 1HE LYS 45 2HE LYS 45 -20.161 -16.425 14.465 1142 2HE LYS 45 1HE LYS 45 -19.785 -17.802 13.408 1143 1HZ LYS 45 3HZ LYS 45 -18.141 -15.359 13.294 1144 2HZ LYS 45 2HZ LYS 45 -17.848 -16.512 14.507 1145 3HZ LYS 45 1HZ LYS 45 -17.725 -16.947 12.869 1146 H ILE 46 H ILE 46 -22.945 -14.818 9.597 1147 HA ILE 46 HA ILE 46 -25.367 -13.323 10.539 1148 HB ILE 46 HB ILE 46 -22.838 -12.495 9.069 1149 1HG1 ILE 46 2HG1 ILE 46 -22.158 -12.545 11.282 1150 2HG1 ILE 46 1HG1 ILE 46 -22.864 -10.936 11.240 1151 1HG2 ILE 46 3HG2 ILE 46 -25.458 -11.216 9.292 1152 2HG2 ILE 46 2HG2 ILE 46 -24.152 -10.194 9.891 1153 3HG2 ILE 46 1HG2 ILE 46 -24.098 -10.816 8.242 1154 1HD1 ILE 46 3HD1 ILE 46 -25.049 -11.991 12.002 1155 2HD1 ILE 46 2HD1 ILE 46 -24.136 -13.472 12.293 1156 3HD1 ILE 46 1HD1 ILE 46 -23.749 -12.007 13.194 1157 H ILE 47 HN ILE 47 -23.835 -14.917 7.846 1158 HA ILE 47 HA ILE 47 -25.081 -13.838 5.590 1159 HB ILE 47 HB ILE 47 -23.461 -15.634 5.490 1160 1HG1 ILE 47 2HG1 ILE 47 -26.032 -16.902 4.553 1161 2HG1 ILE 47 1HG1 ILE 47 -25.380 -15.468 3.760 1162 1HG2 ILE 47 3HG2 ILE 47 -24.417 -16.676 7.667 1163 2HG2 ILE 47 2HG2 ILE 47 -25.519 -17.541 6.598 1164 3HG2 ILE 47 1HG2 ILE 47 -23.777 -17.773 6.444 1165 1HD1 ILE 47 3HD1 ILE 47 -23.569 -17.808 4.255 1166 2HD1 ILE 47 2HD1 ILE 47 -24.700 -17.870 2.905 1167 3HD1 ILE 47 1HD1 ILE 47 -23.493 -16.588 2.985 No H/Q in entry = 1167 Start of MODEL 18 1 1H GLY 1 1H GLY 1 30.190 9.851 -26.908 2 2H GLY 1 3H GLY 1 29.743 9.146 -28.383 3 3H GLY 1 2H GLY 1 31.271 9.868 -28.219 4 1HA GLY 1 2HA GLY 1 30.485 11.826 -28.837 5 2HA GLY 1 1HA GLY 1 28.924 11.052 -29.118 6 H SER 2 H SER 2 27.489 12.484 -28.208 7 HA SER 2 HA SER 2 28.084 13.655 -25.542 8 1HB SER 2 2HB SER 2 27.275 15.235 -27.096 9 2HB SER 2 1HB SER 2 26.104 14.106 -27.769 10 HG SER 2 HG SER 2 25.515 15.885 -26.098 11 H HIS 3 H HIS 3 26.229 11.117 -26.997 12 HA HIS 3 HA HIS 3 24.016 10.864 -25.265 13 1HB HIS 3 2HB HIS 3 24.039 8.545 -26.014 14 2HB HIS 3 1HB HIS 3 24.551 9.572 -27.353 15 HD1 HIS 3 HD1 HIS 3 25.426 6.469 -26.183 16 HD2 HIS 3 HD2 HIS 3 27.713 9.905 -26.770 17 HE1 HIS 3 HE1 HIS 3 27.834 5.703 -26.374 18 H MET 4 H MET 4 23.761 9.957 -23.206 19 HA MET 4 HA MET 4 26.128 9.827 -21.500 20 1HB MET 4 2HB MET 4 24.469 9.553 -19.752 21 2HB MET 4 1HB MET 4 23.842 10.730 -20.906 22 1HG MET 4 2HG MET 4 22.926 8.397 -21.994 23 2HG MET 4 1HG MET 4 22.868 8.015 -20.273 24 1HE MET 4 1HE MET 4 20.617 7.545 -20.717 25 2HE MET 4 3HE MET 4 19.290 8.695 -20.491 26 3HE MET 4 2HE MET 4 19.936 8.392 -22.102 27 H GLU 5 H GLU 5 25.748 7.758 -19.797 28 HA GLU 5 HA GLU 5 26.629 5.445 -21.315 29 1HB GLU 5 2HB GLU 5 26.304 6.338 -18.529 30 2HB GLU 5 1HB GLU 5 26.059 4.604 -18.745 31 1HG GLU 5 2HG GLU 5 28.224 4.343 -19.756 32 2HG GLU 5 1HG GLU 5 28.449 6.089 -19.864 33 H GLU 6 H GLU 6 25.441 3.251 -20.336 34 HA GLU 6 HA GLU 6 22.593 3.522 -21.219 35 1HB GLU 6 2HB GLU 6 24.794 1.748 -21.776 36 2HB GLU 6 1HB GLU 6 23.461 0.818 -21.089 37 1HG GLU 6 2HG GLU 6 22.439 2.744 -22.983 38 2HG GLU 6 1HG GLU 6 23.692 1.763 -23.741 39 H ASP 7 H ASP 7 21.144 3.471 -19.550 40 HA ASP 7 HA ASP 7 20.245 3.036 -17.399 41 1HB ASP 7 2HB ASP 7 19.890 0.919 -18.521 42 2HB ASP 7 1HB ASP 7 21.563 0.440 -18.243 43 HA PRO 8 HA PRO 8 24.392 3.543 -15.364 44 1HB PRO 8 2HB PRO 8 23.883 6.012 -14.297 45 2HB PRO 8 1HB PRO 8 24.559 5.781 -15.922 46 1HG PRO 8 2HG PRO 8 21.773 6.421 -15.107 47 2HG PRO 8 1HG PRO 8 22.699 6.981 -16.506 48 1HD PRO 8 2HD PRO 8 20.789 5.018 -16.614 49 2HD PRO 8 1HD PRO 8 22.134 5.166 -17.767 50 H CYS 9 H CYS 9 21.442 5.015 -13.935 51 HA CYS 9 HA CYS 9 21.836 3.232 -11.555 52 1HB CYS 9 2HB CYS 9 21.364 6.161 -11.905 53 2HB CYS 9 1HB CYS 9 20.604 5.375 -10.516 54 H GLU 10 H GLU 10 20.255 2.131 -13.414 55 HA GLU 10 HA GLU 10 18.043 1.503 -13.987 56 1HB GLU 10 2HB GLU 10 18.039 2.070 -11.011 57 2HB GLU 10 1HB GLU 10 16.676 1.306 -11.829 58 1HG GLU 10 2HG GLU 10 17.733 -0.682 -11.875 59 2HG GLU 10 1HG GLU 10 19.168 0.042 -12.601 60 H CYS 11 H CYS 11 18.565 4.274 -14.553 61 HA CYS 11 HA CYS 11 16.901 6.225 -13.535 62 1HB CYS 11 2HB CYS 11 17.922 5.491 -16.244 63 2HB CYS 11 1HB CYS 11 16.726 6.787 -16.145 64 H LYS 12 H LYS 12 15.959 3.410 -15.401 65 HA LYS 12 HA LYS 12 13.102 4.316 -15.227 66 1HB LYS 12 2HB LYS 12 14.609 2.760 -17.349 67 2HB LYS 12 1HB LYS 12 12.854 2.937 -17.340 68 1HG LYS 12 2HG LYS 12 13.098 4.907 -18.399 69 2HG LYS 12 1HG LYS 12 13.893 5.533 -16.955 70 1HD LYS 12 2HD LYS 12 15.828 5.664 -18.089 71 2HD LYS 12 1HD LYS 12 15.788 3.918 -18.336 72 1HE LYS 12 2HE LYS 12 15.038 4.114 -20.491 73 2HE LYS 12 1HE LYS 12 13.995 5.498 -20.103 74 1HZ LYS 12 1HZ LYS 12 16.947 5.698 -20.022 75 2HZ LYS 12 3HZ LYS 12 16.083 5.981 -21.454 76 3HZ LYS 12 2HZ LYS 12 15.807 6.956 -20.090 77 H SER 13 H SER 13 15.402 1.997 -14.283 78 HA SER 13 HA SER 13 13.597 -0.312 -14.134 79 1HB SER 13 2HB SER 13 16.407 0.417 -13.464 80 2HB SER 13 1HB SER 13 15.720 -0.950 -12.597 81 HG SER 13 HG SER 13 16.763 -1.077 -14.910 82 H ILE 14 H ILE 14 14.751 2.202 -11.963 83 HA ILE 14 HA ILE 14 13.635 1.060 -9.526 84 HB ILE 14 HB ILE 14 14.727 3.743 -10.404 85 1HG1 ILE 14 2HG1 ILE 14 15.886 1.883 -8.342 86 2HG1 ILE 14 1HG1 ILE 14 16.153 1.585 -10.058 87 1HG2 ILE 14 1HG2 ILE 14 13.011 4.010 -8.598 88 2HG2 ILE 14 3HG2 ILE 14 13.961 2.919 -7.589 89 3HG2 ILE 14 2HG2 ILE 14 14.635 4.470 -8.087 90 1HD1 ILE 14 2HD1 ILE 14 17.026 3.901 -10.303 91 2HD1 ILE 14 1HD1 ILE 14 16.836 4.135 -8.566 92 3HD1 ILE 14 3HD1 ILE 14 17.985 2.944 -9.175 93 H VAL 15 H VAL 15 12.747 3.527 -11.879 94 HA VAL 15 HA VAL 15 10.250 4.220 -10.516 95 HB VAL 15 HB VAL 15 11.023 4.873 -13.366 96 1HG1 VAL 15 3HG1 VAL 15 9.611 6.351 -11.124 97 2HG1 VAL 15 2HG1 VAL 15 9.999 7.067 -12.689 98 3HG1 VAL 15 1HG1 VAL 15 8.873 5.712 -12.594 99 1HG2 VAL 15 3HG2 VAL 15 12.234 5.939 -10.798 100 2HG2 VAL 15 2HG2 VAL 15 13.079 5.284 -12.199 101 3HG2 VAL 15 1HG2 VAL 15 12.277 6.845 -12.309 102 H LYS 16 H LYS 16 11.408 1.856 -12.704 103 HA LYS 16 HA LYS 16 8.945 1.218 -14.094 104 1HB LYS 16 2HB LYS 16 10.874 0.364 -15.115 105 2HB LYS 16 1HB LYS 16 11.651 0.015 -13.571 106 1HG LYS 16 2HG LYS 16 9.182 -1.521 -14.120 107 2HG LYS 16 1HG LYS 16 10.551 -1.891 -15.169 108 1HD LYS 16 2HD LYS 16 11.639 -1.702 -12.586 109 2HD LYS 16 1HD LYS 16 10.139 -2.609 -12.390 110 1HE LYS 16 2HE LYS 16 11.095 -3.822 -14.616 111 2HE LYS 16 1HE LYS 16 12.623 -3.373 -13.832 112 1HZ LYS 16 2HZ LYS 16 11.369 -4.186 -11.713 113 2HZ LYS 16 1HZ LYS 16 10.457 -5.086 -12.827 114 3HZ LYS 16 3HZ LYS 16 12.136 -5.310 -12.730 115 H PHE 17 H PHE 17 10.647 0.105 -11.183 116 HA PHE 17 HA PHE 17 8.646 -1.855 -10.406 117 1HB PHE 17 2HB PHE 17 10.725 -2.191 -9.410 118 2HB PHE 17 1HB PHE 17 11.033 -0.464 -9.243 119 HD1 PHE 17 HD1 PHE 17 8.495 -2.965 -8.029 120 HD2 PHE 17 HD2 PHE 17 11.033 0.367 -7.082 121 HE1 PHE 17 HE1 PHE 17 7.717 -3.043 -5.676 122 HE2 PHE 17 HE2 PHE 17 10.255 0.292 -4.732 123 HZ PHE 17 HZ PHE 17 8.597 -1.413 -4.026 124 H GLN 18 H GLN 18 9.162 1.591 -9.883 125 HA GLN 18 HA GLN 18 7.347 2.117 -7.775 126 1HB GLN 18 2HB GLN 18 8.459 3.556 -10.145 127 2HB GLN 18 1HB GLN 18 7.105 4.309 -9.314 128 1HG GLN 18 2HG GLN 18 9.751 4.611 -8.611 129 2HG GLN 18 1HG GLN 18 8.387 4.920 -7.546 130 1HE2 GLN 18 2HE2 GLN 18 8.959 2.027 -5.544 131 2HE2 GLN 18 1HE2 GLN 18 7.821 3.209 -5.975 132 H THR 19 H THR 19 6.726 1.964 -11.281 133 HA THR 19 HA THR 19 3.946 2.573 -11.231 134 HB THR 19 HB THR 19 5.640 0.789 -13.015 135 HG1 THR 19 HG1 THR 19 5.928 3.209 -12.685 136 1HG2 THR 19 1HG2 THR 19 2.769 1.534 -13.086 137 2HG2 THR 19 3HG2 THR 19 3.642 1.656 -14.613 138 3HG2 THR 19 2HG2 THR 19 3.583 0.118 -13.752 139 H LYS 20 H LYS 20 5.684 -0.497 -10.762 140 HA LYS 20 HA LYS 20 3.367 -2.204 -10.685 141 1HB LYS 20 2HB LYS 20 6.164 -2.331 -9.512 142 2HB LYS 20 1HB LYS 20 5.023 -3.673 -9.397 143 1HG LYS 20 2HG LYS 20 5.733 -2.390 -12.041 144 2HG LYS 20 1HG LYS 20 6.648 -3.743 -11.378 145 1HD LYS 20 2HD LYS 20 3.661 -3.957 -11.528 146 2HD LYS 20 1HD LYS 20 4.607 -4.189 -13.000 147 1HE LYS 20 2HE LYS 20 5.796 -6.040 -12.070 148 2HE LYS 20 1HE LYS 20 5.235 -5.666 -10.428 149 1HZ LYS 20 1HZ LYS 20 2.919 -5.920 -11.349 150 2HZ LYS 20 3HZ LYS 20 3.621 -6.611 -12.730 151 3HZ LYS 20 2HZ LYS 20 3.815 -7.358 -11.216 152 H VAL 21 H VAL 21 4.969 -0.115 -8.389 153 HA VAL 21 HA VAL 21 3.487 -1.074 -6.046 154 HB VAL 21 HB VAL 21 5.529 0.986 -6.780 155 1HG1 VAL 21 1HG1 VAL 21 3.883 1.127 -4.237 156 2HG1 VAL 21 3HG1 VAL 21 5.334 2.074 -4.568 157 3HG1 VAL 21 2HG1 VAL 21 3.880 2.322 -5.534 158 1HG2 VAL 21 1HG2 VAL 21 5.209 -1.068 -4.577 159 2HG2 VAL 21 3HG2 VAL 21 6.293 -1.154 -5.966 160 3HG2 VAL 21 2HG2 VAL 21 6.582 0.034 -4.694 161 H GLU 22 H GLU 22 3.061 1.201 -8.619 162 HA GLU 22 HA GLU 22 1.194 2.988 -7.310 163 1HB GLU 22 2HB GLU 22 2.217 2.360 -10.043 164 2HB GLU 22 1HB GLU 22 0.712 3.269 -9.945 165 1HG GLU 22 2HG GLU 22 1.955 4.780 -8.258 166 2HG GLU 22 1HG GLU 22 3.427 4.020 -8.864 167 H GLU 23 H GLU 23 0.820 0.260 -9.588 168 HA GLU 23 HA GLU 23 -2.082 0.265 -9.459 169 1HB GLU 23 2HB GLU 23 -0.221 -1.980 -10.281 170 2HB GLU 23 1HB GLU 23 -1.851 -1.660 -10.876 171 1HG GLU 23 2HG GLU 23 -0.637 0.713 -11.443 172 2HG GLU 23 1HG GLU 23 0.715 -0.401 -11.640 173 H LEU 24 H LEU 24 0.509 -1.474 -7.760 174 HA LEU 24 HA LEU 24 -1.174 -3.422 -6.472 175 1HB LEU 24 2HB LEU 24 1.455 -3.110 -6.776 176 2HB LEU 24 1HB LEU 24 1.309 -2.335 -5.197 177 HG LEU 24 HG LEU 24 0.166 -4.347 -4.320 178 1HD1 LEU 24 2HD1 LEU 24 -0.081 -4.923 -7.110 179 2HD1 LEU 24 1HD1 LEU 24 0.860 -6.218 -6.369 180 3HD1 LEU 24 3HD1 LEU 24 -0.745 -5.829 -5.749 181 1HD2 LEU 24 1HD2 LEU 24 2.914 -4.217 -5.265 182 2HD2 LEU 24 3HD2 LEU 24 2.286 -4.883 -3.757 183 3HD2 LEU 24 2HD2 LEU 24 2.342 -5.883 -5.207 184 H ILE 25 H ILE 25 0.061 -0.228 -5.422 185 HA ILE 25 HA ILE 25 -1.116 -0.230 -2.825 186 HB ILE 25 HB ILE 25 0.196 1.589 -4.684 187 1HG1 ILE 25 2HG1 ILE 25 1.231 2.389 -2.692 188 2HG1 ILE 25 1HG1 ILE 25 -0.118 1.856 -1.691 189 1HG2 ILE 25 1HG2 ILE 25 -2.004 2.753 -2.952 190 2HG2 ILE 25 3HG2 ILE 25 -0.736 3.699 -3.733 191 3HG2 ILE 25 2HG2 ILE 25 -1.912 2.821 -4.711 192 1HD1 ILE 25 1HD1 ILE 25 1.044 -0.330 -3.246 193 2HD1 ILE 25 3HD1 ILE 25 2.215 0.422 -2.162 194 3HD1 ILE 25 2HD1 ILE 25 0.712 -0.239 -1.517 195 H ASN 26 H ASN 26 -2.400 0.755 -6.004 196 HA ASN 26 HA ASN 26 -4.891 1.824 -5.095 197 1HB ASN 26 2HB ASN 26 -3.676 1.762 -7.426 198 2HB ASN 26 1HB ASN 26 -4.553 0.247 -7.641 199 1HD2 ASN 26 2HD2 ASN 26 -6.703 3.050 -8.908 200 2HD2 ASN 26 1HD2 ASN 26 -5.154 2.475 -9.302 201 H THR 27 H THR 27 -3.935 -1.458 -6.056 202 HA THR 27 HA THR 27 -6.462 -2.748 -5.736 203 HB THR 27 HB THR 27 -3.564 -3.594 -5.507 204 HG1 THR 27 HG1 THR 27 -5.595 -3.714 -7.455 205 1HG2 THR 27 3HG2 THR 27 -6.016 -5.091 -4.854 206 2HG2 THR 27 2HG2 THR 27 -4.951 -5.906 -6.001 207 3HG2 THR 27 1HG2 THR 27 -4.340 -5.427 -4.418 208 H LEU 28 H LEU 28 -3.926 -1.909 -3.398 209 HA LEU 28 HA LEU 28 -4.983 -3.465 -1.199 210 1HB LEU 28 2HB LEU 28 -3.091 -1.150 -1.574 211 2HB LEU 28 1HB LEU 28 -3.546 -1.662 0.051 212 HG LEU 28 HG LEU 28 -2.742 -3.816 -1.830 213 1HD1 LEU 28 1HD1 LEU 28 -1.090 -1.495 -1.392 214 2HD1 LEU 28 3HD1 LEU 28 -0.352 -2.896 -0.614 215 3HD1 LEU 28 2HD1 LEU 28 -0.730 -2.940 -2.336 216 1HD2 LEU 28 2HD2 LEU 28 -2.756 -3.197 1.069 217 2HD2 LEU 28 1HD2 LEU 28 -3.035 -4.731 0.245 218 3HD2 LEU 28 3HD2 LEU 28 -1.388 -4.159 0.509 219 H GLN 29 H GLN 29 -5.268 -0.040 -2.145 220 HA GLN 29 HA GLN 29 -7.038 0.723 -0.006 221 1HB GLN 29 2HB GLN 29 -5.527 2.020 -1.760 222 2HB GLN 29 1HB GLN 29 -7.000 1.997 -2.726 223 1HG GLN 29 2HG GLN 29 -8.163 3.350 -1.242 224 2HG GLN 29 1HG GLN 29 -7.196 2.837 0.141 225 1HE2 GLN 29 2HE2 GLN 29 -5.200 5.398 -2.371 226 2HE2 GLN 29 1HE2 GLN 29 -5.990 4.042 -3.016 227 H GLN 30 H GLN 30 -7.436 -1.150 -2.830 228 HA GLN 30 HA GLN 30 -10.276 -0.572 -3.285 229 1HB GLN 30 2HB GLN 30 -8.212 -2.531 -4.308 230 2HB GLN 30 1HB GLN 30 -9.896 -2.627 -4.815 231 1HG GLN 30 2HG GLN 30 -8.976 0.103 -4.966 232 2HG GLN 30 1HG GLN 30 -7.894 -0.950 -5.874 233 1HE2 GLN 30 2HE2 GLN 30 -10.710 -0.002 -8.143 234 2HE2 GLN 30 1HE2 GLN 30 -9.495 0.851 -7.319 235 H LYS 31 H LYS 31 -8.360 -3.338 -2.070 236 HA LYS 31 HA LYS 31 -10.657 -4.884 -1.227 237 1HB LYS 31 2HB LYS 31 -7.714 -4.951 -1.098 238 2HB LYS 31 1HB LYS 31 -8.495 -5.706 0.293 239 1HG LYS 31 2HG LYS 31 -9.754 -7.194 -1.123 240 2HG LYS 31 1HG LYS 31 -9.243 -6.332 -2.574 241 1HD LYS 31 2HD LYS 31 -6.848 -6.929 -1.934 242 2HD LYS 31 1HD LYS 31 -7.537 -8.020 -0.732 243 1HE LYS 31 2HE LYS 31 -8.417 -8.162 -3.620 244 2HE LYS 31 1HE LYS 31 -6.978 -9.033 -3.054 245 1HZ LYS 31 3HZ LYS 31 -9.505 -9.162 -1.536 246 2HZ LYS 31 2HZ LYS 31 -9.254 -10.192 -2.864 247 3HZ LYS 31 1HZ LYS 31 -8.203 -10.250 -1.531 248 H LEU 32 H LEU 32 -9.021 -2.147 0.047 249 HA LEU 32 HA LEU 32 -9.749 -2.586 2.855 250 1HB LEU 32 2HB LEU 32 -7.785 -1.254 1.661 251 2HB LEU 32 1HB LEU 32 -8.972 0.049 1.644 252 HG LEU 32 HG LEU 32 -9.225 -0.080 4.054 253 1HD1 LEU 32 2HD1 LEU 32 -7.547 -2.550 3.696 254 2HD1 LEU 32 1HD1 LEU 32 -7.517 -1.681 5.230 255 3HD1 LEU 32 3HD1 LEU 32 -9.034 -2.344 4.621 256 1HD2 LEU 32 1HD2 LEU 32 -6.496 0.150 2.859 257 2HD2 LEU 32 3HD2 LEU 32 -7.460 1.367 3.696 258 3HD2 LEU 32 2HD2 LEU 32 -6.614 0.124 4.618 259 H GLU 33 H GLU 33 -10.803 -0.456 0.177 260 HA GLU 33 HA GLU 33 -12.959 0.777 1.669 261 1HB GLU 33 2HB GLU 33 -11.883 1.781 -0.308 262 2HB GLU 33 1HB GLU 33 -12.420 0.427 -1.302 263 1HG GLU 33 2HG GLU 33 -14.349 1.513 -1.691 264 2HG GLU 33 1HG GLU 33 -14.719 1.428 0.031 265 H ALA 34 H ALA 34 -12.521 -2.257 0.125 266 HA ALA 34 HA ALA 34 -15.421 -2.790 -0.184 267 1HB ALA 34 2HB ALA 34 -13.422 -3.506 -1.727 268 2HB ALA 34 1HB ALA 34 -13.145 -4.750 -0.508 269 3HB ALA 34 3HB ALA 34 -14.678 -4.695 -1.379 270 H VAL 35 H VAL 35 -12.648 -3.528 1.830 271 HA VAL 35 HA VAL 35 -13.802 -5.608 3.441 272 HB VAL 35 HB VAL 35 -11.511 -3.713 3.456 273 1HG1 VAL 35 1HG1 VAL 35 -12.424 -3.401 5.734 274 2HG1 VAL 35 3HG1 VAL 35 -12.364 -5.146 5.983 275 3HG1 VAL 35 2HG1 VAL 35 -10.871 -4.234 5.757 276 1HG2 VAL 35 2HG2 VAL 35 -11.376 -5.998 2.526 277 2HG2 VAL 35 1HG2 VAL 35 -10.268 -5.791 3.882 278 3HG2 VAL 35 3HG2 VAL 35 -11.786 -6.659 4.108 279 H ALA 36 H ALA 36 -13.753 -2.055 3.651 280 HA ALA 36 HA ALA 36 -15.078 -1.876 6.214 281 1HB ALA 36 1HB ALA 36 -14.366 -0.124 3.909 282 2HB ALA 36 3HB ALA 36 -15.658 0.454 4.960 283 3HB ALA 36 2HB ALA 36 -14.063 0.115 5.630 284 H LYS 37 H LYS 37 -16.124 -2.293 2.893 285 HA LYS 37 HA LYS 37 -18.926 -1.654 3.322 286 1HB LYS 37 2HB LYS 37 -17.211 -2.979 1.242 287 2HB LYS 37 1HB LYS 37 -18.963 -3.147 1.123 288 1HG LYS 37 2HG LYS 37 -19.157 -0.652 1.271 289 2HG LYS 37 1HG LYS 37 -17.397 -0.553 1.214 290 1HD LYS 37 2HD LYS 37 -17.523 -0.601 -1.033 291 2HD LYS 37 1HD LYS 37 -18.138 -2.250 -0.915 292 1HE LYS 37 2HE LYS 37 -20.322 -1.603 -1.258 293 2HE LYS 37 1HE LYS 37 -20.099 -0.051 -0.426 294 1HZ LYS 37 1HZ LYS 37 -18.668 0.650 -2.285 295 2HZ LYS 37 3HZ LYS 37 -19.039 -0.790 -3.103 296 3HZ LYS 37 2HZ LYS 37 -20.264 0.342 -2.781 297 H ARG 38 H ARG 38 -16.950 -4.574 3.487 298 HA ARG 38 HA ARG 38 -19.155 -6.424 3.813 299 1HB ARG 38 2HB ARG 38 -16.222 -6.583 4.591 300 2HB ARG 38 1HB ARG 38 -17.314 -7.955 4.416 301 1HG ARG 38 2HG ARG 38 -17.196 -6.131 2.089 302 2HG ARG 38 1HG ARG 38 -15.722 -7.046 2.408 303 1HD ARG 38 2HD ARG 38 -18.290 -8.564 2.539 304 2HD ARG 38 1HD ARG 38 -17.715 -8.076 0.931 305 HE ARG 38 HE ARG 38 -15.967 -9.550 2.869 306 1HH1 ARG 38 1HH2 ARG 38 -16.043 -8.210 -0.182 307 2HH1 ARG 38 2HH2 ARG 38 -15.537 -9.636 -1.026 308 1HH2 ARG 38 2HH1 ARG 38 -15.806 -11.695 1.752 309 2HH2 ARG 38 1HH1 ARG 38 -15.407 -11.610 0.069 310 H ILE 39 H ILE 39 -16.973 -4.693 6.015 311 HA ILE 39 HA ILE 39 -17.822 -5.812 8.484 312 HB ILE 39 HB ILE 39 -16.782 -3.122 7.578 313 1HG1 ILE 39 2HG1 ILE 39 -15.435 -5.370 7.705 314 2HG1 ILE 39 1HG1 ILE 39 -14.706 -3.897 8.336 315 1HG2 ILE 39 3HG2 ILE 39 -18.231 -2.804 9.589 316 2HG2 ILE 39 2HG2 ILE 39 -17.234 -3.975 10.453 317 3HG2 ILE 39 1HG2 ILE 39 -16.532 -2.452 9.906 318 1HD1 ILE 39 1HD1 ILE 39 -16.335 -5.266 10.340 319 2HD1 ILE 39 3HD1 ILE 39 -15.026 -6.276 9.731 320 3HD1 ILE 39 2HD1 ILE 39 -14.668 -4.706 10.442 321 H GLU 40 H GLU 40 -19.108 -3.130 6.543 322 HA GLU 40 HA GLU 40 -21.226 -2.381 8.339 323 1HB GLU 40 2HB GLU 40 -21.033 -2.217 5.309 324 2HB GLU 40 1HB GLU 40 -22.077 -1.233 6.335 325 1HG GLU 40 2HG GLU 40 -19.260 -1.172 7.154 326 2HG GLU 40 1HG GLU 40 -19.528 -0.535 5.532 327 H ALA 41 H ALA 41 -20.912 -4.761 5.735 328 HA ALA 41 HA ALA 41 -23.612 -5.568 5.461 329 1HB ALA 41 2HB ALA 41 -21.280 -6.277 4.358 330 2HB ALA 41 1HB ALA 41 -21.404 -7.592 5.527 331 3HB ALA 41 3HB ALA 41 -22.669 -7.363 4.320 332 H LEU 42 H LEU 42 -21.176 -6.348 7.894 333 HA LEU 42 HA LEU 42 -22.868 -8.286 9.306 334 1HB LEU 42 2HB LEU 42 -20.226 -6.889 9.801 335 2HB LEU 42 1HB LEU 42 -20.942 -7.944 11.008 336 HG LEU 42 HG LEU 42 -19.740 -9.564 9.960 337 1HD1 LEU 42 1HD1 LEU 42 -22.059 -10.155 9.326 338 2HD1 LEU 42 3HD1 LEU 42 -21.872 -9.243 7.827 339 3HD1 LEU 42 2HD1 LEU 42 -20.896 -10.685 8.109 340 1HD2 LEU 42 1HD2 LEU 42 -18.946 -7.489 8.425 341 2HD2 LEU 42 3HD2 LEU 42 -18.448 -9.155 8.132 342 3HD2 LEU 42 2HD2 LEU 42 -19.782 -8.459 7.212 343 H GLU 43 H GLU 43 -22.077 -4.860 9.493 344 HA GLU 43 HA GLU 43 -23.214 -4.367 12.103 345 1HB GLU 43 2HB GLU 43 -22.789 -2.600 9.669 346 2HB GLU 43 1HB GLU 43 -23.081 -2.017 11.308 347 1HG GLU 43 2HG GLU 43 -21.017 -3.851 11.616 348 2HG GLU 43 1HG GLU 43 -20.619 -3.015 10.116 349 H ASN 44 H ASN 44 -24.544 -4.949 8.984 350 HA ASN 44 HA ASN 44 -27.075 -3.555 9.362 351 1HB ASN 44 2HB ASN 44 -26.073 -5.746 7.517 352 2HB ASN 44 1HB ASN 44 -27.672 -5.019 7.370 353 1HD2 ASN 44 2HD2 ASN 44 -25.880 -2.863 5.111 354 2HD2 ASN 44 1HD2 ASN 44 -26.792 -4.293 5.169 355 H LYS 45 H LYS 45 -25.696 -6.521 10.435 356 HA LYS 45 HA LYS 45 -28.392 -7.562 11.231 357 1HB LYS 45 2HB LYS 45 -25.723 -8.851 10.602 358 2HB LYS 45 1HB LYS 45 -27.036 -9.740 11.375 359 1HG LYS 45 2HG LYS 45 -27.208 -10.128 9.002 360 2HG LYS 45 1HG LYS 45 -28.521 -9.039 9.453 361 1HD LYS 45 2HD LYS 45 -27.617 -7.261 8.328 362 2HD LYS 45 1HD LYS 45 -25.959 -7.748 8.684 363 1HE LYS 45 2HE LYS 45 -25.931 -8.369 6.474 364 2HE LYS 45 1HE LYS 45 -26.795 -9.805 7.058 365 1HZ LYS 45 3HZ LYS 45 -28.825 -8.184 6.935 366 2HZ LYS 45 2HZ LYS 45 -27.863 -7.385 5.784 367 3HZ LYS 45 1HZ LYS 45 -28.302 -9.010 5.548 368 H ILE 46 H ILE 46 -25.362 -6.316 12.365 369 HA ILE 46 HA ILE 46 -25.859 -7.388 15.109 370 HB ILE 46 HB ILE 46 -23.467 -5.948 13.906 371 1HG1 ILE 46 2HG1 ILE 46 -23.257 -7.981 12.827 372 2HG1 ILE 46 1HG1 ILE 46 -22.550 -8.437 14.372 373 1HG2 ILE 46 3HG2 ILE 46 -24.195 -6.738 16.609 374 2HG2 ILE 46 2HG2 ILE 46 -22.682 -7.487 16.099 375 3HG2 ILE 46 1HG2 ILE 46 -22.854 -5.732 16.059 376 1HD1 ILE 46 3HD1 ILE 46 -25.029 -9.025 15.025 377 2HD1 ILE 46 2HD1 ILE 46 -25.272 -9.091 13.280 378 3HD1 ILE 46 1HD1 ILE 46 -24.094 -10.152 14.047 379 H ILE 47 HN ILE 47 -26.302 -4.619 13.178 380 HA ILE 47 HA ILE 47 -25.833 -2.423 14.861 381 HB ILE 47 HB ILE 47 -26.590 -2.094 12.626 382 1HG1 ILE 47 2HG1 ILE 47 -29.108 -1.474 14.160 383 2HG1 ILE 47 1HG1 ILE 47 -27.612 -0.608 14.508 384 1HG2 ILE 47 2HG2 ILE 47 -28.303 -4.309 13.280 385 2HG2 ILE 47 1HG2 ILE 47 -29.281 -2.997 12.625 386 3HG2 ILE 47 3HG2 ILE 47 -27.931 -3.641 11.691 387 1HD1 ILE 47 2HD1 ILE 47 -28.882 -0.824 11.762 388 2HD1 ILE 47 1HD1 ILE 47 -29.015 0.577 12.826 389 3HD1 ILE 47 3HD1 ILE 47 -27.444 0.109 12.176 390 1H GLY 1 1H GLY 1 29.388 24.017 -17.325 391 2H GLY 1 3H GLY 1 28.861 25.563 -16.868 392 3H GLY 1 2H GLY 1 30.154 25.395 -17.956 393 1HA GLY 1 2HA GLY 1 31.635 25.251 -16.333 394 2HA GLY 1 1HA GLY 1 30.329 25.687 -15.229 395 H SER 2 H SER 2 30.764 24.310 -13.518 396 HA SER 2 HA SER 2 31.322 21.451 -14.025 397 1HB SER 2 2HB SER 2 32.634 22.402 -12.318 398 2HB SER 2 1HB SER 2 31.285 23.334 -11.674 399 HG SER 2 HG SER 2 32.135 20.984 -10.878 400 H HIS 3 H HIS 3 28.649 23.508 -13.093 401 HA HIS 3 HA HIS 3 26.959 21.803 -11.660 402 1HB HIS 3 2HB HIS 3 25.174 23.187 -12.582 403 2HB HIS 3 1HB HIS 3 26.593 24.200 -12.319 404 HD1 HIS 3 HD1 HIS 3 24.119 24.004 -14.694 405 HD2 HIS 3 HD2 HIS 3 28.266 23.757 -15.041 406 HE1 HIS 3 HE1 HIS 3 24.670 24.560 -17.102 407 H MET 4 H MET 4 25.427 20.202 -12.266 408 HA MET 4 HA MET 4 26.095 18.672 -14.693 409 1HB MET 4 2HB MET 4 24.658 17.011 -13.655 410 2HB MET 4 1HB MET 4 25.660 17.725 -12.391 411 1HG MET 4 2HG MET 4 23.554 19.430 -12.333 412 2HG MET 4 1HG MET 4 22.735 17.952 -12.838 413 1HE MET 4 1HE MET 4 21.306 18.060 -10.773 414 2HE MET 4 3HE MET 4 21.873 18.045 -9.098 415 3HE MET 4 2HE MET 4 22.118 19.472 -10.101 416 H GLU 5 H GLU 5 23.675 17.614 -15.453 417 HA GLU 5 HA GLU 5 22.495 19.778 -17.008 418 1HB GLU 5 2HB GLU 5 22.443 16.843 -16.805 419 2HB GLU 5 1HB GLU 5 20.897 17.541 -17.288 420 1HG GLU 5 2HG GLU 5 21.841 18.603 -19.188 421 2HG GLU 5 1HG GLU 5 23.487 18.375 -18.596 422 H GLU 6 H GLU 6 19.853 19.502 -17.068 423 HA GLU 6 HA GLU 6 18.982 20.115 -14.273 424 1HB GLU 6 2HB GLU 6 18.594 21.247 -16.914 425 2HB GLU 6 1HB GLU 6 17.038 20.884 -16.167 426 1HG GLU 6 2HG GLU 6 18.812 22.047 -14.210 427 2HG GLU 6 1HG GLU 6 18.717 23.092 -15.628 428 H ASP 7 H ASP 7 17.894 18.441 -13.318 429 HA ASP 7 HA ASP 7 16.546 16.508 -13.090 430 1HB ASP 7 2HB ASP 7 14.857 18.187 -13.466 431 2HB ASP 7 1HB ASP 7 15.161 18.181 -15.204 432 HA PRO 8 HA PRO 8 18.366 14.593 -16.907 433 1HB PRO 8 2HB PRO 8 19.995 12.827 -15.595 434 2HB PRO 8 1HB PRO 8 20.499 14.475 -16.019 435 1HG PRO 8 2HG PRO 8 19.605 13.385 -13.405 436 2HG PRO 8 1HG PRO 8 20.831 14.609 -13.761 437 1HD PRO 8 2HD PRO 8 18.297 15.171 -12.862 438 2HD PRO 8 1HD PRO 8 19.312 16.306 -13.777 439 H CYS 9 H CYS 9 17.981 12.659 -13.909 440 HA CYS 9 HA CYS 9 16.054 10.905 -15.397 441 1HB CYS 9 2HB CYS 9 18.405 10.411 -13.614 442 2HB CYS 9 1HB CYS 9 17.053 9.278 -13.515 443 H GLU 10 H GLU 10 14.850 12.992 -14.190 444 HA GLU 10 HA GLU 10 13.428 13.674 -12.419 445 1HB GLU 10 2HB GLU 10 13.162 10.674 -12.677 446 2HB GLU 10 1HB GLU 10 12.104 11.617 -11.627 447 1HG GLU 10 2HG GLU 10 10.849 12.212 -13.393 448 2HG GLU 10 1HG GLU 10 12.264 12.913 -14.182 449 H CYS 11 H CYS 11 16.164 13.390 -11.562 450 HA CYS 11 HA CYS 11 16.786 11.793 -9.410 451 1HB CYS 11 2HB CYS 11 17.303 14.629 -10.179 452 2HB CYS 11 1HB CYS 11 17.788 14.135 -8.553 453 H LYS 12 H LYS 12 14.418 14.395 -9.468 454 HA LYS 12 HA LYS 12 13.785 13.781 -6.599 455 1HB LYS 12 2HB LYS 12 13.663 16.369 -8.179 456 2HB LYS 12 1HB LYS 12 13.028 16.190 -6.544 457 1HG LYS 12 2HG LYS 12 15.094 16.663 -5.780 458 2HG LYS 12 1HG LYS 12 15.618 15.112 -6.437 459 1HD LYS 12 2HD LYS 12 16.905 16.200 -7.923 460 2HD LYS 12 1HD LYS 12 15.455 16.926 -8.618 461 1HE LYS 12 2HE LYS 12 15.817 18.934 -7.577 462 2HE LYS 12 1HE LYS 12 16.389 18.160 -6.085 463 1HZ LYS 12 1HZ LYS 12 17.927 18.125 -8.620 464 2HZ LYS 12 3HZ LYS 12 18.156 19.306 -7.423 465 3HZ LYS 12 2HZ LYS 12 18.464 17.672 -7.073 466 H SER 13 H SER 13 12.672 13.679 -9.800 467 HA SER 13 HA SER 13 9.830 14.165 -9.247 468 1HB SER 13 2HB SER 13 11.603 13.425 -11.524 469 2HB SER 13 1HB SER 13 9.907 12.979 -11.670 470 HG SER 13 HG SER 13 10.860 15.263 -12.237 471 H ILE 14 H ILE 14 11.966 11.388 -9.563 472 HA ILE 14 HA ILE 14 9.869 9.370 -9.487 473 HB ILE 14 HB ILE 14 12.879 9.413 -9.122 474 1HG1 ILE 14 2HG1 ILE 14 11.363 8.101 -11.356 475 2HG1 ILE 14 1HG1 ILE 14 11.610 9.846 -11.382 476 1HG2 ILE 14 1HG2 ILE 14 11.754 7.510 -7.882 477 2HG2 ILE 14 3HG2 ILE 14 11.133 6.955 -9.437 478 3HG2 ILE 14 2HG2 ILE 14 12.873 7.004 -9.148 479 1HD1 ILE 14 2HD1 ILE 14 14.057 9.472 -11.073 480 2HD1 ILE 14 1HD1 ILE 14 13.777 7.735 -11.178 481 3HD1 ILE 14 3HD1 ILE 14 13.449 8.766 -12.570 482 H VAL 15 H VAL 15 12.162 10.801 -7.194 483 HA VAL 15 HA VAL 15 11.205 9.186 -4.946 484 HB VAL 15 HB VAL 15 12.817 11.734 -4.768 485 1HG1 VAL 15 3HG1 VAL 15 12.755 9.071 -3.326 486 2HG1 VAL 15 2HG1 VAL 15 14.027 10.266 -3.073 487 3HG1 VAL 15 1HG1 VAL 15 12.354 10.658 -2.670 488 1HG2 VAL 15 3HG2 VAL 15 13.680 9.053 -5.888 489 2HG2 VAL 15 2HG2 VAL 15 13.883 10.646 -6.617 490 3HG2 VAL 15 1HG2 VAL 15 14.826 10.202 -5.202 491 H LYS 16 H LYS 16 10.303 12.048 -6.592 492 HA LYS 16 HA LYS 16 8.964 13.432 -4.428 493 1HB LYS 16 2HB LYS 16 9.372 14.780 -6.292 494 2HB LYS 16 1HB LYS 16 9.090 13.460 -7.425 495 1HG LYS 16 2HG LYS 16 6.739 14.275 -5.831 496 2HG LYS 16 1HG LYS 16 7.318 15.473 -6.990 497 1HD LYS 16 2HD LYS 16 7.398 12.970 -8.312 498 2HD LYS 16 1HD LYS 16 5.839 13.053 -7.493 499 1HE LYS 16 2HE LYS 16 5.976 15.576 -8.516 500 2HE LYS 16 1HE LYS 16 6.851 14.665 -9.764 501 1HZ LYS 16 2HZ LYS 16 4.931 12.965 -9.364 502 2HZ LYS 16 1HZ LYS 16 4.089 14.337 -8.821 503 3HZ LYS 16 3HZ LYS 16 4.696 14.289 -10.403 504 H PHE 17 H PHE 17 8.092 11.095 -6.956 505 HA PHE 17 HA PHE 17 5.304 10.825 -6.185 506 1HB PHE 17 2HB PHE 17 5.786 10.053 -8.342 507 2HB PHE 17 1HB PHE 17 7.340 9.378 -7.857 508 HD1 PHE 17 HD1 PHE 17 3.730 8.921 -6.898 509 HD2 PHE 17 HD2 PHE 17 7.468 7.064 -7.910 510 HE1 PHE 17 HE1 PHE 17 2.692 6.686 -6.633 511 HE2 PHE 17 HE2 PHE 17 6.431 4.831 -7.646 512 HZ PHE 17 HZ PHE 17 4.042 4.636 -7.008 513 H GLN 18 H GLN 18 8.357 9.325 -5.239 514 HA GLN 18 HA GLN 18 7.449 7.096 -3.756 515 1HB GLN 18 2HB GLN 18 9.780 8.955 -3.739 516 2HB GLN 18 1HB GLN 18 9.586 7.921 -2.331 517 1HG GLN 18 2HG GLN 18 10.909 7.183 -4.608 518 2HG GLN 18 1HG GLN 18 10.192 6.048 -3.474 519 1HE2 GLN 18 2HE2 GLN 18 7.569 5.086 -5.676 520 2HE2 GLN 18 1HE2 GLN 18 8.112 5.066 -4.068 521 H THR 19 H THR 19 7.873 10.469 -2.681 522 HA THR 19 HA THR 19 7.091 10.102 0.037 523 HB THR 19 HB THR 19 6.797 12.439 -1.881 524 HG1 THR 19 HG1 THR 19 8.919 11.469 -1.323 525 1HG2 THR 19 1HG2 THR 19 6.234 12.128 1.030 526 2HG2 THR 19 3HG2 THR 19 7.019 13.619 0.506 527 3HG2 THR 19 2HG2 THR 19 5.450 13.166 -0.161 528 H LYS 20 H LYS 20 5.180 10.681 -2.909 529 HA LYS 20 HA LYS 20 2.633 11.008 -1.605 530 1HB LYS 20 2HB LYS 20 3.546 10.097 -4.351 531 2HB LYS 20 1HB LYS 20 1.842 10.310 -3.946 532 1HG LYS 20 2HG LYS 20 3.892 12.493 -3.521 533 2HG LYS 20 1HG LYS 20 2.993 12.322 -5.028 534 1HD LYS 20 2HD LYS 20 1.457 12.322 -2.460 535 2HD LYS 20 1HD LYS 20 2.076 13.859 -3.061 536 1HE LYS 20 2HE LYS 20 0.861 13.650 -5.124 537 2HE LYS 20 1HE LYS 20 0.450 11.958 -4.779 538 1HZ LYS 20 1HZ LYS 20 -0.465 13.018 -2.583 539 2HZ LYS 20 3HZ LYS 20 -0.591 14.409 -3.546 540 3HZ LYS 20 2HZ LYS 20 -1.416 12.992 -3.992 541 H VAL 21 H VAL 21 4.597 8.269 -2.531 542 HA VAL 21 HA VAL 21 2.509 6.257 -2.081 543 HB VAL 21 HB VAL 21 5.387 6.436 -2.856 544 1HG1 VAL 21 1HG1 VAL 21 4.139 3.964 -1.628 545 2HG1 VAL 21 3HG1 VAL 21 5.587 3.925 -2.634 546 3HG1 VAL 21 2HG1 VAL 21 5.602 4.799 -1.102 547 1HG2 VAL 21 1HG2 VAL 21 3.041 4.775 -3.823 548 2HG2 VAL 21 3HG2 VAL 21 3.584 6.298 -4.529 549 3HG2 VAL 21 2HG2 VAL 21 4.618 4.872 -4.607 550 H GLU 22 H GLU 22 4.882 7.988 -0.247 551 HA GLU 22 HA GLU 22 5.181 6.124 1.948 552 1HB GLU 22 2HB GLU 22 5.817 8.963 1.264 553 2HB GLU 22 1HB GLU 22 5.865 8.518 2.967 554 1HG GLU 22 2HG GLU 22 7.287 6.493 2.174 555 2HG GLU 22 1HG GLU 22 7.506 7.421 0.691 556 H GLU 23 H GLU 23 3.283 9.130 1.525 557 HA GLU 23 HA GLU 23 1.907 8.884 4.066 558 1HB GLU 23 2HB GLU 23 1.051 10.401 1.587 559 2HB GLU 23 1HB GLU 23 0.716 10.815 3.268 560 1HG GLU 23 2HG GLU 23 3.461 10.679 3.261 561 2HG GLU 23 1HG GLU 23 3.126 11.327 1.655 562 H LEU 24 H LEU 24 1.179 7.913 0.727 563 HA LEU 24 HA LEU 24 -1.569 7.183 1.152 564 1HB LEU 24 2HB LEU 24 0.023 7.468 -0.978 565 2HB LEU 24 1HB LEU 24 0.198 5.724 -0.775 566 HG LEU 24 HG LEU 24 -2.269 5.487 -0.797 567 1HD1 LEU 24 2HD1 LEU 24 -2.120 8.332 -0.442 568 2HD1 LEU 24 1HD1 LEU 24 -3.005 7.991 -1.930 569 3HD1 LEU 24 3HD1 LEU 24 -3.545 7.295 -0.401 570 1HD2 LEU 24 1HD2 LEU 24 -0.607 6.418 -3.010 571 2HD2 LEU 24 3HD2 LEU 24 -1.802 5.122 -2.980 572 3HD2 LEU 24 2HD2 LEU 24 -2.313 6.785 -3.267 573 H ILE 25 H ILE 25 1.455 5.262 1.236 574 HA ILE 25 HA ILE 25 0.284 2.748 1.852 575 HB ILE 25 HB ILE 25 2.885 4.045 1.786 576 1HG1 ILE 25 2HG1 ILE 25 3.569 1.914 0.922 577 2HG1 ILE 25 1HG1 ILE 25 2.200 1.099 1.677 578 1HG2 ILE 25 1HG2 ILE 25 2.510 1.928 3.926 579 2HG2 ILE 25 3HG2 ILE 25 4.057 2.575 3.378 580 3HG2 ILE 25 2HG2 ILE 25 2.911 3.620 4.218 581 1HD1 ILE 25 1HD1 ILE 25 1.280 3.269 -0.006 582 2HD1 ILE 25 3HD1 ILE 25 2.304 2.165 -0.926 583 3HD1 ILE 25 2HD1 ILE 25 0.878 1.552 -0.088 584 H ASN 26 H ASN 26 1.313 5.420 3.991 585 HA ASN 26 HA ASN 26 0.843 4.118 6.488 586 1HB ASN 26 2HB ASN 26 1.916 6.413 5.821 587 2HB ASN 26 1HB ASN 26 0.268 7.029 5.959 588 1HD2 ASN 26 2HD2 ASN 26 1.849 7.348 9.324 589 2HD2 ASN 26 1HD2 ASN 26 2.147 8.002 7.787 590 H THR 27 H THR 27 -1.287 6.080 4.435 591 HA THR 27 HA THR 27 -3.621 6.004 6.074 592 HB THR 27 HB THR 27 -3.036 6.282 3.123 593 HG1 THR 27 HG1 THR 27 -3.340 8.387 3.564 594 1HG2 THR 27 3HG2 THR 27 -5.607 5.738 4.408 595 2HG2 THR 27 2HG2 THR 27 -5.609 7.249 3.499 596 3HG2 THR 27 1HG2 THR 27 -5.186 5.737 2.696 597 H LEU 28 H LEU 28 -2.306 3.698 3.727 598 HA LEU 28 HA LEU 28 -4.646 2.008 3.565 599 1HB LEU 28 2HB LEU 28 -1.705 1.822 2.962 600 2HB LEU 28 1HB LEU 28 -2.684 0.356 2.897 601 HG LEU 28 HG LEU 28 -3.775 2.767 1.531 602 1HD1 LEU 28 1HD1 LEU 28 -1.126 1.871 1.013 603 2HD1 LEU 28 3HD1 LEU 28 -2.131 1.305 -0.319 604 3HD1 LEU 28 2HD1 LEU 28 -2.075 3.022 0.076 605 1HD2 LEU 28 2HD2 LEU 28 -3.919 -0.192 1.401 606 2HD2 LEU 28 1HD2 LEU 28 -5.179 1.009 1.121 607 3HD2 LEU 28 3HD2 LEU 28 -4.013 0.641 -0.151 608 H GLN 29 H GLN 29 -1.677 1.905 5.513 609 HA GLN 29 HA GLN 29 -2.368 -0.464 7.011 610 1HB GLN 29 2HB GLN 29 -0.135 0.904 6.553 611 2HB GLN 29 1HB GLN 29 -0.609 1.747 8.026 612 1HG GLN 29 2HG GLN 29 -0.358 -0.136 9.354 613 2HG GLN 29 1HG GLN 29 -0.669 -1.245 8.018 614 1HE2 GLN 29 2HE2 GLN 29 3.042 0.506 7.851 615 2HE2 GLN 29 1HE2 GLN 29 1.671 1.478 8.090 616 H GLN 30 H GLN 30 -3.472 2.767 7.039 617 HA GLN 30 HA GLN 30 -4.189 2.889 9.884 618 1HB GLN 30 2HB GLN 30 -4.671 4.556 7.406 619 2HB GLN 30 1HB GLN 30 -5.378 4.982 8.965 620 1HG GLN 30 2HG GLN 30 -2.596 4.347 9.319 621 2HG GLN 30 1HG GLN 30 -2.765 5.558 8.050 622 1HE2 GLN 30 2HE2 GLN 30 -2.674 7.358 11.326 623 2HE2 GLN 30 1HE2 GLN 30 -1.602 6.344 10.487 624 H LYS 31 H LYS 31 -5.961 2.697 6.779 625 HA LYS 31 HA LYS 31 -8.546 2.242 7.979 626 1HB LYS 31 2HB LYS 31 -7.255 2.292 5.341 627 2HB LYS 31 1HB LYS 31 -8.558 1.108 5.440 628 1HG LYS 31 2HG LYS 31 -10.140 2.779 6.129 629 2HG LYS 31 1HG LYS 31 -8.865 3.977 6.358 630 1HD LYS 31 2HD LYS 31 -8.343 3.668 3.864 631 2HD LYS 31 1HD LYS 31 -9.886 2.820 3.762 632 1HE LYS 31 2HE LYS 31 -9.722 5.557 5.029 633 2HE LYS 31 1HE LYS 31 -9.908 5.369 3.274 634 1HZ LYS 31 3HZ LYS 31 -11.605 3.934 5.237 635 2HZ LYS 31 2HZ LYS 31 -12.044 5.434 4.574 636 3HZ LYS 31 1HZ LYS 31 -11.850 4.081 3.565 637 H LEU 32 H LEU 32 -5.773 0.273 7.417 638 HA LEU 32 HA LEU 32 -7.147 -2.306 7.400 639 1HB LEU 32 2HB LEU 32 -4.812 -1.474 6.472 640 2HB LEU 32 1HB LEU 32 -4.256 -1.862 8.099 641 HG LEU 32 HG LEU 32 -5.014 -4.151 7.876 642 1HD1 LEU 32 2HD1 LEU 32 -6.296 -3.071 5.379 643 2HD1 LEU 32 1HD1 LEU 32 -5.863 -4.778 5.473 644 3HD1 LEU 32 3HD1 LEU 32 -6.998 -4.092 6.635 645 1HD2 LEU 32 1HD2 LEU 32 -3.290 -2.951 5.756 646 2HD2 LEU 32 3HD2 LEU 32 -2.885 -4.146 6.987 647 3HD2 LEU 32 2HD2 LEU 32 -3.774 -4.635 5.544 648 H GLU 33 H GLU 33 -5.178 -0.469 9.763 649 HA GLU 33 HA GLU 33 -5.542 -2.354 11.926 650 1HB GLU 33 2HB GLU 33 -3.715 -0.673 11.730 651 2HB GLU 33 1HB GLU 33 -4.901 0.620 11.912 652 1HG GLU 33 2HG GLU 33 -4.716 0.445 14.146 653 2HG GLU 33 1HG GLU 33 -5.326 -1.207 14.048 654 H ALA 34 H ALA 34 -7.531 0.070 10.502 655 HA ALA 34 HA ALA 34 -9.271 0.390 12.879 656 1HB ALA 34 2HB ALA 34 -8.574 2.167 11.088 657 2HB ALA 34 1HB ALA 34 -9.775 1.377 10.067 658 3HB ALA 34 3HB ALA 34 -10.263 2.119 11.591 659 H VAL 35 H VAL 35 -9.080 -1.217 9.778 660 HA VAL 35 HA VAL 35 -11.791 -2.170 9.605 661 HB VAL 35 HB VAL 35 -9.113 -2.629 8.397 662 1HG1 VAL 35 1HG1 VAL 35 -9.825 -4.941 8.952 663 2HG1 VAL 35 3HG1 VAL 35 -11.329 -4.667 8.072 664 3HG1 VAL 35 2HG1 VAL 35 -9.788 -4.654 7.213 665 1HG2 VAL 35 3HG2 VAL 35 -11.921 -2.372 7.285 666 2HG2 VAL 35 2HG2 VAL 35 -10.739 -1.070 7.427 667 3HG2 VAL 35 1HG2 VAL 35 -10.447 -2.412 6.318 668 H ALA 36 H ALA 36 -8.792 -3.403 11.055 669 HA ALA 36 HA ALA 36 -9.839 -5.971 11.857 670 1HB ALA 36 1HB ALA 36 -7.443 -4.315 12.150 671 2HB ALA 36 3HB ALA 36 -7.800 -5.219 13.622 672 3HB ALA 36 2HB ALA 36 -7.578 -6.072 12.095 673 H LYS 37 H LYS 37 -9.899 -2.726 13.201 674 HA LYS 37 HA LYS 37 -10.750 -3.492 15.875 675 1HB LYS 37 2HB LYS 37 -10.605 -0.998 14.198 676 2HB LYS 37 1HB LYS 37 -11.489 -0.956 15.724 677 1HG LYS 37 2HG LYS 37 -9.463 -1.834 16.884 678 2HG LYS 37 1HG LYS 37 -8.587 -1.755 15.355 679 1HD LYS 37 2HD LYS 37 -8.064 0.371 15.906 680 2HD LYS 37 1HD LYS 37 -9.752 0.765 15.582 681 1HE LYS 37 2HE LYS 37 -10.285 0.907 17.816 682 2HE LYS 37 1HE LYS 37 -9.163 -0.393 18.267 683 1HZ LYS 37 1HZ LYS 37 -7.334 1.178 17.612 684 2HZ LYS 37 3HZ LYS 37 -8.499 2.409 17.555 685 3HZ LYS 37 2HZ LYS 37 -8.183 1.608 19.020 686 H ARG 38 H ARG 38 -12.365 -2.665 12.841 687 HA ARG 38 HA ARG 38 -15.045 -2.531 13.932 688 1HB ARG 38 2HB ARG 38 -14.030 -3.117 11.131 689 2HB ARG 38 1HB ARG 38 -15.647 -2.554 11.549 690 1HG ARG 38 2HG ARG 38 -13.415 -0.911 12.592 691 2HG ARG 38 1HG ARG 38 -13.626 -0.885 10.841 692 1HD ARG 38 2HD ARG 38 -16.102 -0.612 12.484 693 2HD ARG 38 1HD ARG 38 -15.001 0.779 12.442 694 HE ARG 38 HE ARG 38 -15.977 -0.544 9.936 695 1HH1 ARG 38 1HH2 ARG 38 -14.137 1.978 11.116 696 2HH1 ARG 38 2HH2 ARG 38 -14.930 3.226 10.213 697 1HH2 ARG 38 1HH1 ARG 38 -16.820 2.758 9.059 698 2HH2 ARG 38 2HH1 ARG 38 -17.471 1.153 9.078 699 H ILE 39 H ILE 39 -13.092 -5.044 12.366 700 HA ILE 39 HA ILE 39 -15.021 -7.122 12.200 701 HB ILE 39 HB ILE 39 -12.030 -6.971 12.614 702 1HG1 ILE 39 2HG1 ILE 39 -13.310 -6.387 10.419 703 2HG1 ILE 39 1HG1 ILE 39 -11.894 -7.428 10.313 704 1HG2 ILE 39 3HG2 ILE 39 -12.862 -9.051 13.691 705 2HG2 ILE 39 2HG2 ILE 39 -13.645 -9.500 12.176 706 3HG2 ILE 39 1HG2 ILE 39 -11.887 -9.388 12.259 707 1HD1 ILE 39 1HD1 ILE 39 -14.289 -8.989 10.829 708 2HD1 ILE 39 3HD1 ILE 39 -14.470 -8.011 9.376 709 3HD1 ILE 39 2HD1 ILE 39 -13.123 -9.138 9.514 710 H GLU 40 H GLU 40 -12.841 -6.136 14.819 711 HA GLU 40 HA GLU 40 -13.616 -8.145 16.718 712 1HB GLU 40 2HB GLU 40 -12.629 -5.297 17.123 713 2HB GLU 40 1HB GLU 40 -12.516 -6.608 18.298 714 1HG GLU 40 2HG GLU 40 -11.387 -7.287 15.670 715 2HG GLU 40 1HG GLU 40 -10.555 -5.956 16.473 716 H ALA 41 H ALA 41 -14.865 -4.949 15.858 717 HA ALA 41 HA ALA 41 -16.710 -4.544 17.975 718 1HB ALA 41 2HB ALA 41 -15.981 -3.327 15.599 719 2HB ALA 41 1HB ALA 41 -17.640 -3.828 15.273 720 3HB ALA 41 3HB ALA 41 -17.289 -2.780 16.647 721 H LEU 42 H LEU 42 -16.895 -6.495 15.038 722 HA LEU 42 HA LEU 42 -19.676 -7.307 15.479 723 1HB LEU 42 2HB LEU 42 -17.410 -8.107 13.632 724 2HB LEU 42 1HB LEU 42 -18.951 -8.950 13.606 725 HG LEU 42 HG LEU 42 -19.477 -7.393 12.027 726 1HD1 LEU 42 1HD1 LEU 42 -20.926 -6.756 13.933 727 2HD1 LEU 42 3HD1 LEU 42 -19.709 -5.593 14.458 728 3HD1 LEU 42 2HD1 LEU 42 -20.539 -5.367 12.917 729 1HD2 LEU 42 1HD2 LEU 42 -16.967 -6.475 12.610 730 2HD2 LEU 42 3HD2 LEU 42 -18.036 -5.760 11.403 731 3HD2 LEU 42 2HD2 LEU 42 -17.958 -5.075 13.026 732 H GLU 43 H GLU 43 -16.449 -8.512 16.211 733 HA GLU 43 HA GLU 43 -17.210 -11.192 16.979 734 1HB GLU 43 2HB GLU 43 -14.905 -9.387 17.790 735 2HB GLU 43 1HB GLU 43 -14.954 -11.133 18.023 736 1HG GLU 43 2HG GLU 43 -15.618 -10.824 15.351 737 2HG GLU 43 1HG GLU 43 -14.371 -9.605 15.609 738 H ASN 44 H ASN 44 -17.557 -8.103 18.438 739 HA ASN 44 HA ASN 44 -17.621 -8.948 21.222 740 1HB ASN 44 2HB ASN 44 -18.565 -6.536 19.649 741 2HB ASN 44 1HB ASN 44 -18.757 -6.650 21.398 742 1HD2 ASN 44 2HD2 ASN 44 -15.553 -5.037 21.371 743 2HD2 ASN 44 1HD2 ASN 44 -17.222 -4.751 21.494 744 H LYS 45 H LYS 45 -19.801 -9.042 18.546 745 HA LYS 45 HA LYS 45 -22.102 -9.662 20.365 746 1HB LYS 45 2HB LYS 45 -21.863 -8.547 17.557 747 2HB LYS 45 1HB LYS 45 -23.401 -9.078 18.237 748 1HG LYS 45 2HG LYS 45 -23.207 -6.695 18.618 749 2HG LYS 45 1HG LYS 45 -23.008 -7.511 20.169 750 1HD LYS 45 2HD LYS 45 -20.807 -6.920 20.348 751 2HD LYS 45 1HD LYS 45 -20.518 -7.089 18.616 752 1HE LYS 45 2HE LYS 45 -20.432 -4.784 18.719 753 2HE LYS 45 1HE LYS 45 -22.197 -4.942 18.612 754 1HZ LYS 45 3HZ LYS 45 -21.920 -5.355 21.179 755 2HZ LYS 45 2HZ LYS 45 -20.515 -4.425 20.956 756 3HZ LYS 45 1HZ LYS 45 -22.035 -3.782 20.555 757 H ILE 46 H ILE 46 -19.919 -10.932 17.995 758 HA ILE 46 HA ILE 46 -21.703 -13.264 17.448 759 HB ILE 46 HB ILE 46 -19.066 -12.377 16.221 760 1HG1 ILE 46 2HG1 ILE 46 -20.461 -10.779 15.315 761 2HG1 ILE 46 1HG1 ILE 46 -20.859 -12.100 14.225 762 1HG2 ILE 46 3HG2 ILE 46 -20.621 -14.811 16.030 763 2HG2 ILE 46 2HG2 ILE 46 -20.502 -14.020 14.459 764 3HG2 ILE 46 1HG2 ILE 46 -19.039 -14.446 15.346 765 1HD1 ILE 46 3HD1 ILE 46 -22.683 -12.702 15.991 766 2HD1 ILE 46 2HD1 ILE 46 -22.444 -11.051 16.558 767 3HD1 ILE 46 1HD1 ILE 46 -22.971 -11.345 14.906 768 H ILE 47 HN ILE 47 -19.079 -12.285 19.400 769 HA ILE 47 HA ILE 47 -17.416 -14.533 19.623 770 HB ILE 47 HB ILE 47 -16.929 -12.543 20.842 771 1HG1 ILE 47 2HG1 ILE 47 -17.947 -14.435 22.980 772 2HG1 ILE 47 1HG1 ILE 47 -16.494 -14.764 22.035 773 1HG2 ILE 47 2HG2 ILE 47 -19.772 -12.586 21.308 774 2HG2 ILE 47 1HG2 ILE 47 -18.931 -12.398 22.846 775 3HG2 ILE 47 3HG2 ILE 47 -18.641 -11.253 21.536 776 1HD1 ILE 47 2HD1 ILE 47 -16.826 -12.125 23.445 777 2HD1 ILE 47 1HD1 ILE 47 -16.235 -13.537 24.320 778 3HD1 ILE 47 3HD1 ILE 47 -15.341 -12.923 22.929 779 1H GLY 1 1H GLY 1 38.614 10.481 -12.006 780 2H GLY 1 3H GLY 1 39.676 9.583 -11.037 781 3H GLY 1 2H GLY 1 40.283 10.785 -12.072 782 1HA GLY 1 2HA GLY 1 40.457 9.367 -13.743 783 2HA GLY 1 1HA GLY 1 39.982 8.090 -12.624 784 H SER 2 H SER 2 38.554 6.915 -13.882 785 HA SER 2 HA SER 2 36.480 8.314 -15.464 786 1HB SER 2 2HB SER 2 37.474 6.476 -16.563 787 2HB SER 2 1HB SER 2 37.479 5.492 -15.102 788 HG SER 2 HG SER 2 35.730 5.361 -16.955 789 H HIS 3 H HIS 3 36.830 6.692 -12.400 790 HA HIS 3 HA HIS 3 34.261 5.712 -11.861 791 1HB HIS 3 2HB HIS 3 34.882 6.083 -9.527 792 2HB HIS 3 1HB HIS 3 36.317 5.600 -10.432 793 HD1 HIS 3 HD1 HIS 3 35.614 7.802 -7.881 794 HD2 HIS 3 HD2 HIS 3 37.399 8.395 -11.602 795 HE1 HIS 3 HE1 HIS 3 36.964 9.936 -7.696 796 H MET 4 H MET 4 32.291 6.662 -11.305 797 HA MET 4 HA MET 4 31.883 9.466 -11.998 798 1HB MET 4 2HB MET 4 29.553 8.906 -11.558 799 2HB MET 4 1HB MET 4 30.300 7.553 -12.409 800 1HG MET 4 2HG MET 4 30.830 6.824 -9.859 801 2HG MET 4 1HG MET 4 29.333 7.723 -9.605 802 1HE MET 4 2HE MET 4 29.431 4.942 -8.758 803 2HE MET 4 1HE MET 4 27.850 5.713 -8.842 804 3HE MET 4 3HE MET 4 28.083 4.090 -9.507 805 H GLU 5 H GLU 5 30.081 10.392 -10.140 806 HA GLU 5 HA GLU 5 31.812 11.166 -7.925 807 1HB GLU 5 2HB GLU 5 29.243 11.888 -9.144 808 2HB GLU 5 1HB GLU 5 29.235 12.038 -7.386 809 1HG GLU 5 2HG GLU 5 31.067 13.553 -7.399 810 2HG GLU 5 1HG GLU 5 31.472 13.169 -9.073 811 H GLU 6 H GLU 6 30.280 11.223 -5.695 812 HA GLU 6 HA GLU 6 29.769 8.326 -5.132 813 1HB GLU 6 2HB GLU 6 31.188 10.497 -3.843 814 2HB GLU 6 1HB GLU 6 29.965 9.841 -2.755 815 1HG GLU 6 2HG GLU 6 31.317 7.694 -4.142 816 2HG GLU 6 1HG GLU 6 32.491 8.730 -3.331 817 H ASP 7 H ASP 7 27.606 7.851 -5.065 818 HA ASP 7 HA ASP 7 25.274 8.158 -4.766 819 1HB ASP 7 2HB ASP 7 26.017 7.896 -2.486 820 2HB ASP 7 1HB ASP 7 26.583 9.566 -2.421 821 HA PRO 8 HA PRO 8 25.416 12.486 -6.450 822 1HB PRO 8 2HB PRO 8 24.321 11.888 -8.887 823 2HB PRO 8 1HB PRO 8 26.063 11.806 -8.564 824 1HG PRO 8 2HG PRO 8 24.068 9.615 -8.732 825 2HG PRO 8 1HG PRO 8 25.764 9.644 -9.237 826 1HD PRO 8 2HD PRO 8 24.849 8.466 -6.923 827 2HD PRO 8 1HD PRO 8 26.516 9.032 -7.176 828 H CYS 9 H CYS 9 22.823 10.232 -7.496 829 HA CYS 9 HA CYS 9 20.832 12.084 -6.223 830 1HB CYS 9 2HB CYS 9 21.015 10.669 -8.853 831 2HB CYS 9 1HB CYS 9 19.412 10.847 -8.133 832 H GLU 10 H GLU 10 21.749 10.230 -4.497 833 HA GLU 10 HA GLU 10 21.227 8.266 -3.275 834 1HB GLU 10 2HB GLU 10 18.607 9.411 -4.264 835 2HB GLU 10 1HB GLU 10 18.669 8.069 -3.121 836 1HG GLU 10 2HG GLU 10 19.088 9.477 -1.417 837 2HG GLU 10 1HG GLU 10 20.477 10.151 -2.271 838 H CYS 11 H CYS 11 22.069 7.666 -5.941 839 HA CYS 11 HA CYS 11 20.485 6.150 -7.609 840 1HB CYS 11 2HB CYS 11 23.310 6.031 -6.660 841 2HB CYS 11 1HB CYS 11 22.724 4.667 -7.617 842 H LYS 12 H LYS 12 21.537 5.296 -4.369 843 HA LYS 12 HA LYS 12 20.023 2.717 -4.628 844 1HB LYS 12 2HB LYS 12 22.555 3.417 -3.111 845 2HB LYS 12 1HB LYS 12 21.702 1.884 -2.937 846 1HG LYS 12 2HG LYS 12 22.901 1.132 -4.693 847 2HG LYS 12 1HG LYS 12 21.959 2.230 -5.702 848 1HD LYS 12 2HD LYS 12 23.849 3.369 -6.141 849 2HD LYS 12 1HD LYS 12 23.918 3.825 -4.439 850 1HE LYS 12 2HE LYS 12 25.562 2.298 -3.968 851 2HE LYS 12 1HE LYS 12 24.875 1.079 -5.059 852 1HZ LYS 12 1HZ LYS 12 26.211 3.576 -5.958 853 2HZ LYS 12 3HZ LYS 12 26.966 2.059 -5.906 854 3HZ LYS 12 2HZ LYS 12 25.647 2.314 -6.946 855 H SER 13 H SER 13 20.213 5.735 -3.098 856 HA SER 13 HA SER 13 19.161 4.917 -0.481 857 1HB SER 13 2HB SER 13 19.954 7.393 -1.934 858 2HB SER 13 1HB SER 13 18.828 7.590 -0.597 859 HG SER 13 HG SER 13 21.261 7.561 -0.236 860 H ILE 14 H ILE 14 17.896 6.163 -3.515 861 HA ILE 14 HA ILE 14 15.183 6.641 -2.547 862 HB ILE 14 HB ILE 14 16.549 6.444 -5.248 863 1HG1 ILE 14 2HG1 ILE 14 15.279 8.879 -4.022 864 2HG1 ILE 14 1HG1 ILE 14 16.899 8.387 -3.537 865 1HG2 ILE 14 1HG2 ILE 14 14.107 5.784 -5.335 866 2HG2 ILE 14 3HG2 ILE 14 13.718 7.395 -4.729 867 3HG2 ILE 14 2HG2 ILE 14 14.516 7.208 -6.291 868 1HD1 ILE 14 2HD1 ILE 14 17.581 8.380 -5.937 869 2HD1 ILE 14 1HD1 ILE 14 15.982 8.992 -6.363 870 3HD1 ILE 14 3HD1 ILE 14 17.070 9.975 -5.382 871 H VAL 15 H VAL 15 16.944 4.133 -4.284 872 HA VAL 15 HA VAL 15 14.571 2.439 -4.631 873 HB VAL 15 HB VAL 15 17.485 1.680 -4.960 874 1HG1 VAL 15 3HG1 VAL 15 14.874 0.893 -6.283 875 2HG1 VAL 15 2HG1 VAL 15 16.452 0.422 -6.914 876 3HG1 VAL 15 1HG1 VAL 15 15.938 -0.132 -5.320 877 1HG2 VAL 15 3HG2 VAL 15 17.003 3.935 -6.026 878 2HG2 VAL 15 2HG2 VAL 15 17.470 2.684 -7.168 879 3HG2 VAL 15 1HG2 VAL 15 15.777 3.137 -6.999 880 H LYS 16 H LYS 16 16.959 3.098 -2.268 881 HA LYS 16 HA LYS 16 16.960 0.556 -0.870 882 1HB LYS 16 2HB LYS 16 18.770 1.938 -0.331 883 2HB LYS 16 1HB LYS 16 17.799 3.406 -0.419 884 1HG LYS 16 2HG LYS 16 17.083 1.467 1.719 885 2HG LYS 16 1HG LYS 16 18.606 2.335 1.917 886 1HD LYS 16 2HD LYS 16 16.640 4.206 1.027 887 2HD LYS 16 1HD LYS 16 15.956 3.302 2.378 888 1HE LYS 16 2HE LYS 16 18.529 3.787 3.261 889 2HE LYS 16 1HE LYS 16 18.137 5.278 2.381 890 1HZ LYS 16 2HZ LYS 16 15.845 4.942 3.563 891 2HZ LYS 16 1HZ LYS 16 16.776 4.073 4.686 892 3HZ LYS 16 3HZ LYS 16 17.128 5.703 4.378 893 H PHE 17 H PHE 17 15.205 3.635 -0.679 894 HA PHE 17 HA PHE 17 13.496 2.866 1.543 895 1HB PHE 17 2HB PHE 17 13.596 5.171 1.192 896 2HB PHE 17 1HB PHE 17 13.654 4.999 -0.562 897 HD1 PHE 17 HD1 PHE 17 11.297 4.077 2.225 898 HD2 PHE 17 HD2 PHE 17 11.775 5.748 -1.703 899 HE1 PHE 17 HE1 PHE 17 8.852 4.463 2.090 900 HE2 PHE 17 HE2 PHE 17 9.330 6.137 -1.835 901 HZ PHE 17 HZ PHE 17 7.868 5.493 0.060 902 H GLN 18 H GLN 18 13.408 2.543 -1.968 903 HA GLN 18 HA GLN 18 10.707 1.796 -2.387 904 1HB GLN 18 2HB GLN 18 13.365 1.308 -3.655 905 2HB GLN 18 1HB GLN 18 12.033 0.297 -4.195 906 1HG GLN 18 2HG GLN 18 12.627 2.778 -5.218 907 2HG GLN 18 1HG GLN 18 11.056 1.997 -5.341 908 1HE2 GLN 18 2HE2 GLN 18 9.491 4.198 -3.014 909 2HE2 GLN 18 1HE2 GLN 18 9.361 2.709 -3.818 910 H THR 19 H THR 19 13.490 -0.246 -1.492 911 HA THR 19 HA THR 19 12.122 -2.756 -1.469 912 HB THR 19 HB THR 19 14.460 -1.660 0.134 913 HG1 THR 19 HG1 THR 19 14.493 -1.835 -2.251 914 1HG2 THR 19 1HG2 THR 19 13.107 -4.285 0.142 915 2HG2 THR 19 3HG2 THR 19 14.860 -4.351 -0.042 916 3HG2 THR 19 2HG2 THR 19 14.151 -3.550 1.359 917 H LYS 20 H LYS 20 12.515 -0.250 1.031 918 HA LYS 20 HA LYS 20 11.277 -1.677 3.189 919 1HB LYS 20 2HB LYS 20 11.637 1.236 2.438 920 2HB LYS 20 1HB LYS 20 10.855 0.763 3.947 921 1HG LYS 20 2HG LYS 20 13.588 -0.251 3.132 922 2HG LYS 20 1HG LYS 20 13.360 1.202 4.106 923 1HD LYS 20 2HD LYS 20 11.947 -1.291 4.959 924 2HD LYS 20 1HD LYS 20 13.682 -1.180 5.253 925 1HE LYS 20 2HE LYS 20 13.422 0.822 6.567 926 2HE LYS 20 1HE LYS 20 11.723 0.984 6.085 927 1HZ LYS 20 1HZ LYS 20 12.129 -1.615 7.062 928 2HZ LYS 20 3HZ LYS 20 12.769 -0.531 8.198 929 3HZ LYS 20 2HZ LYS 20 11.148 -0.391 7.712 930 H VAL 21 H VAL 21 10.072 0.124 0.444 931 HA VAL 21 HA VAL 21 7.282 0.198 1.341 932 HB VAL 21 HB VAL 21 8.977 1.036 -0.965 933 1HG1 VAL 21 1HG1 VAL 21 5.975 0.686 -1.209 934 2HG1 VAL 21 3HG1 VAL 21 7.004 1.525 -2.371 935 3HG1 VAL 21 2HG1 VAL 21 7.195 -0.209 -2.114 936 1HG2 VAL 21 1HG2 VAL 21 6.695 2.324 0.561 937 2HG2 VAL 21 3HG2 VAL 21 8.414 2.579 0.863 938 3HG2 VAL 21 2HG2 VAL 21 7.693 3.130 -0.650 939 H GLU 22 H GLU 22 9.388 -1.961 -0.380 940 HA GLU 22 HA GLU 22 7.372 -3.448 -1.836 941 1HB GLU 22 2HB GLU 22 10.260 -3.654 -1.096 942 2HB GLU 22 1HB GLU 22 9.465 -5.132 -1.623 943 1HG GLU 22 2HG GLU 22 8.597 -3.758 -3.618 944 2HG GLU 22 1HG GLU 22 9.788 -2.545 -3.145 945 H GLU 23 H GLU 23 9.176 -4.065 1.188 946 HA GLU 23 HA GLU 23 7.715 -6.478 1.849 947 1HB GLU 23 2HB GLU 23 9.223 -4.593 3.683 948 2HB GLU 23 1HB GLU 23 8.994 -6.330 3.887 949 1HG GLU 23 2HG GLU 23 10.152 -6.210 1.398 950 2HG GLU 23 1HG GLU 23 10.952 -4.878 2.233 951 H LEU 24 H LEU 24 7.370 -3.044 2.682 952 HA LEU 24 HA LEU 24 5.380 -3.368 4.730 953 1HB LEU 24 2HB LEU 24 6.892 -1.358 3.837 954 2HB LEU 24 1HB LEU 24 5.439 -0.993 2.905 955 HG LEU 24 HG LEU 24 4.106 -0.971 4.973 956 1HD1 LEU 24 2HD1 LEU 24 6.517 -2.228 6.010 957 2HD1 LEU 24 1HD1 LEU 24 6.039 -0.848 6.998 958 3HD1 LEU 24 3HD1 LEU 24 4.902 -2.166 6.715 959 1HD2 LEU 24 1HD2 LEU 24 6.200 0.872 4.286 960 2HD2 LEU 24 3HD2 LEU 24 4.648 1.215 5.051 961 3HD2 LEU 24 2HD2 LEU 24 6.050 0.816 6.042 962 H ILE 25 H ILE 25 5.122 -2.733 1.217 963 HA ILE 25 HA ILE 25 2.285 -2.595 1.065 964 HB ILE 25 HB ILE 25 4.617 -2.850 -0.670 965 1HG1 ILE 25 2HG1 ILE 25 3.415 -1.270 -1.994 966 2HG1 ILE 25 1HG1 ILE 25 1.866 -1.785 -1.328 967 1HG2 ILE 25 2HG2 ILE 25 3.548 -4.997 -1.315 968 2HG2 ILE 25 1HG2 ILE 25 2.049 -4.135 -1.656 969 3HG2 ILE 25 3HG2 ILE 25 3.487 -3.818 -2.626 970 1HD1 ILE 25 1HD1 ILE 25 3.733 -0.942 0.755 971 2HD1 ILE 25 3HD1 ILE 25 3.405 0.343 -0.406 972 3HD1 ILE 25 2HD1 ILE 25 2.074 -0.421 0.461 973 H ASN 26 H ASN 26 4.497 -5.399 0.946 974 HA ASN 26 HA ASN 26 2.541 -7.397 0.344 975 1HB ASN 26 2HB ASN 26 5.165 -7.404 0.502 976 2HB ASN 26 1HB ASN 26 4.882 -7.831 2.190 977 1HD2 ASN 26 2HD2 ASN 26 5.064 -10.995 0.186 978 2HD2 ASN 26 1HD2 ASN 26 6.128 -9.702 0.461 979 H THR 27 H THR 27 3.738 -6.124 3.436 980 HA THR 27 HA THR 27 2.199 -7.766 5.186 981 HB THR 27 HB THR 27 3.396 -4.993 5.317 982 HG1 THR 27 HG1 THR 27 5.034 -6.042 6.155 983 1HG2 THR 27 3HG2 THR 27 1.548 -6.322 7.196 984 2HG2 THR 27 2HG2 THR 27 3.030 -5.712 7.930 985 3HG2 THR 27 1HG2 THR 27 1.970 -4.616 7.047 986 H LEU 28 H LEU 28 1.409 -4.751 3.479 987 HA LEU 28 HA LEU 28 -1.076 -4.231 4.853 988 1HB LEU 28 2HB LEU 28 0.251 -3.438 2.270 989 2HB LEU 28 1HB LEU 28 -1.424 -2.967 2.563 990 HG LEU 28 HG LEU 28 0.525 -2.499 4.767 991 1HD1 LEU 28 1HD1 LEU 28 1.070 -1.585 2.143 992 2HD1 LEU 28 3HD1 LEU 28 0.438 -0.197 3.031 993 3HD1 LEU 28 2HD1 LEU 28 1.846 -1.065 3.639 994 1HD2 LEU 28 2HD2 LEU 28 -2.061 -1.466 3.754 995 2HD2 LEU 28 1HD2 LEU 28 -1.493 -1.640 5.414 996 3HD2 LEU 28 3HD2 LEU 28 -0.987 -0.254 4.450 997 H GLN 29 H GLN 29 -0.259 -5.904 1.821 998 HA GLN 29 HA GLN 29 -2.972 -6.644 1.152 999 1HB GLN 29 2HB GLN 29 -0.655 -6.499 -0.157 1000 2HB GLN 29 1HB GLN 29 -0.540 -8.190 0.326 1001 1HG GLN 29 2HG GLN 29 -2.345 -8.831 -0.971 1002 2HG GLN 29 1HG GLN 29 -3.114 -7.246 -0.867 1003 1HE2 GLN 29 2HE2 GLN 29 0.121 -7.317 -3.395 1004 2HE2 GLN 29 1HE2 GLN 29 0.269 -7.954 -1.829 1005 H GLN 30 H GLN 30 -0.718 -7.719 3.481 1006 HA GLN 30 HA GLN 30 -1.638 -10.502 3.640 1007 1HB GLN 30 2HB GLN 30 0.174 -8.679 5.237 1008 2HB GLN 30 1HB GLN 30 -0.170 -10.330 5.754 1009 1HG GLN 30 2HG GLN 30 0.493 -10.322 2.955 1010 2HG GLN 30 1HG GLN 30 1.755 -9.492 3.861 1011 1HE2 GLN 30 2HE2 GLN 30 2.530 -13.150 3.943 1012 2HE2 GLN 30 1HE2 GLN 30 2.379 -11.985 2.719 1013 H LYS 31 H LYS 31 -1.873 -7.579 5.689 1014 HA LYS 31 HA LYS 31 -3.745 -8.721 7.572 1015 1HB LYS 31 2HB LYS 31 -2.471 -6.142 6.920 1016 2HB LYS 31 1HB LYS 31 -4.082 -5.973 7.619 1017 1HG LYS 31 2HG LYS 31 -3.445 -7.321 9.539 1018 2HG LYS 31 1HG LYS 31 -1.873 -7.665 8.820 1019 1HD LYS 31 2HD LYS 31 -1.463 -5.153 8.801 1020 2HD LYS 31 1HD LYS 31 -2.906 -4.995 9.800 1021 1HE LYS 31 2HE LYS 31 -0.744 -6.926 10.620 1022 2HE LYS 31 1HE LYS 31 -0.585 -5.199 10.998 1023 1HZ LYS 31 3HZ LYS 31 -3.115 -6.635 11.503 1024 2HZ LYS 31 2HZ LYS 31 -1.858 -6.678 12.645 1025 3HZ LYS 31 1HZ LYS 31 -2.555 -5.194 12.200 1026 H LEU 32 H LEU 32 -3.995 -7.413 4.390 1027 HA LEU 32 HA LEU 32 -6.820 -6.677 4.508 1028 1HB LEU 32 2HB LEU 32 -4.807 -5.919 2.975 1029 2HB LEU 32 1HB LEU 32 -5.260 -7.329 2.019 1030 HG LEU 32 HG LEU 32 -7.511 -6.481 1.726 1031 1HD1 LEU 32 2HD1 LEU 32 -6.600 -4.471 3.773 1032 2HD1 LEU 32 1HD1 LEU 32 -7.888 -4.056 2.642 1033 3HD1 LEU 32 3HD1 LEU 32 -8.085 -5.421 3.741 1034 1HD2 LEU 32 1HD2 LEU 32 -5.182 -4.702 1.133 1035 2HD2 LEU 32 3HD2 LEU 32 -6.263 -5.540 0.020 1036 3HD2 LEU 32 2HD2 LEU 32 -6.798 -4.064 0.826 1037 H GLU 33 H GLU 33 -4.929 -9.376 3.106 1038 HA GLU 33 HA GLU 33 -7.226 -10.873 2.197 1039 1HB GLU 33 2HB GLU 33 -4.947 -11.147 1.316 1040 2HB GLU 33 1HB GLU 33 -4.379 -11.665 2.903 1041 1HG GLU 33 2HG GLU 33 -4.987 -13.780 2.452 1042 2HG GLU 33 1HG GLU 33 -6.651 -13.257 2.192 1043 H ALA 34 H ALA 34 -5.754 -10.391 5.279 1044 HA ALA 34 HA ALA 34 -6.918 -12.842 6.471 1045 1HB ALA 34 2HB ALA 34 -4.629 -11.552 6.952 1046 2HB ALA 34 1HB ALA 34 -5.661 -10.591 8.012 1047 3HB ALA 34 3HB ALA 34 -5.512 -12.330 8.267 1048 H VAL 35 H VAL 35 -7.385 -9.390 6.210 1049 HA VAL 35 HA VAL 35 -9.402 -9.057 8.230 1050 HB VAL 35 HB VAL 35 -8.268 -7.634 5.877 1051 1HG1 VAL 35 1HG1 VAL 35 -10.701 -7.488 5.431 1052 2HG1 VAL 35 3HG1 VAL 35 -10.941 -6.828 7.049 1053 3HG1 VAL 35 2HG1 VAL 35 -10.012 -5.921 5.854 1054 1HG2 VAL 35 3HG2 VAL 35 -9.060 -6.781 8.675 1055 2HG2 VAL 35 2HG2 VAL 35 -7.446 -7.279 8.168 1056 3HG2 VAL 35 1HG2 VAL 35 -8.154 -5.797 7.525 1057 H ALA 36 H ALA 36 -9.430 -9.966 4.799 1058 HA ALA 36 HA ALA 36 -12.308 -9.982 4.487 1059 1HB ALA 36 1HB ALA 36 -9.864 -10.729 3.022 1060 2HB ALA 36 3HB ALA 36 -11.234 -11.782 2.668 1061 3HB ALA 36 2HB ALA 36 -11.369 -10.043 2.407 1062 H LYS 37 H LYS 37 -9.902 -12.228 5.699 1063 HA LYS 37 HA LYS 37 -11.604 -14.588 5.669 1064 1HB LYS 37 2HB LYS 37 -8.988 -13.719 6.877 1065 2HB LYS 37 1HB LYS 37 -9.726 -15.227 7.421 1066 1HG LYS 37 2HG LYS 37 -9.859 -15.973 5.040 1067 2HG LYS 37 1HG LYS 37 -8.999 -14.506 4.567 1068 1HD LYS 37 2HD LYS 37 -7.094 -15.672 4.896 1069 2HD LYS 37 1HD LYS 37 -7.437 -15.547 6.622 1070 1HE LYS 37 2HE LYS 37 -8.127 -17.735 6.775 1071 2HE LYS 37 1HE LYS 37 -8.862 -17.717 5.159 1072 1HZ LYS 37 1HZ LYS 37 -6.555 -17.544 4.258 1073 2HZ LYS 37 3HZ LYS 37 -5.970 -17.847 5.821 1074 3HZ LYS 37 2HZ LYS 37 -6.895 -19.025 5.018 1075 H ARG 38 H ARG 38 -10.909 -11.994 7.961 1076 HA ARG 38 HA ARG 38 -12.276 -13.197 10.220 1077 1HB ARG 38 2HB ARG 38 -11.603 -10.309 9.557 1078 2HB ARG 38 1HB ARG 38 -11.968 -10.944 11.161 1079 1HG ARG 38 2HG ARG 38 -9.809 -12.349 9.696 1080 2HG ARG 38 1HG ARG 38 -9.441 -10.698 10.196 1081 1HD ARG 38 2HD ARG 38 -10.749 -12.464 12.221 1082 2HD ARG 38 1HD ARG 38 -9.038 -12.763 11.855 1083 HE ARG 38 HE ARG 38 -10.033 -10.027 12.556 1084 1HH1 ARG 38 1HH2 ARG 38 -7.307 -11.863 11.930 1085 2HH1 ARG 38 2HH2 ARG 38 -6.429 -11.373 13.340 1086 1HH2 ARG 38 2HH1 ARG 38 -9.122 -9.714 14.764 1087 2HH2 ARG 38 1HH1 ARG 38 -7.456 -10.153 14.942 1088 H ILE 39 H ILE 39 -13.132 -10.890 7.669 1089 HA ILE 39 HA ILE 39 -15.738 -10.170 8.559 1090 HB ILE 39 HB ILE 39 -14.334 -10.439 5.900 1091 1HG1 ILE 39 2HG1 ILE 39 -13.926 -8.594 7.706 1092 2HG1 ILE 39 1HG1 ILE 39 -14.104 -8.108 6.024 1093 1HG2 ILE 39 3HG2 ILE 39 -16.778 -10.897 5.583 1094 2HG2 ILE 39 2HG2 ILE 39 -17.125 -9.320 6.290 1095 3HG2 ILE 39 1HG2 ILE 39 -16.230 -9.429 4.774 1096 1HD1 ILE 39 1HD1 ILE 39 -16.685 -8.266 7.361 1097 2HD1 ILE 39 3HD1 ILE 39 -15.594 -7.153 8.184 1098 3HD1 ILE 39 2HD1 ILE 39 -15.965 -6.922 6.477 1099 H GLU 40 H GLU 40 -14.564 -12.902 6.610 1100 HA GLU 40 HA GLU 40 -17.149 -14.078 6.105 1101 1HB GLU 40 2HB GLU 40 -14.400 -15.358 6.330 1102 2HB GLU 40 1HB GLU 40 -15.788 -16.023 5.469 1103 1HG GLU 40 2HG GLU 40 -15.166 -13.288 4.641 1104 2HG GLU 40 1HG GLU 40 -13.827 -14.401 4.361 1105 H ALA 41 H ALA 41 -14.767 -14.315 8.709 1106 HA ALA 41 HA ALA 41 -15.820 -16.523 10.147 1107 1HB ALA 41 2HB ALA 41 -13.798 -14.706 10.440 1108 2HB ALA 41 1HB ALA 41 -14.918 -14.143 11.681 1109 3HB ALA 41 3HB ALA 41 -14.310 -15.799 11.727 1110 H LEU 42 H LEU 42 -16.823 -13.145 9.953 1111 HA LEU 42 HA LEU 42 -18.906 -13.414 12.002 1112 1HB LEU 42 2HB LEU 42 -18.084 -11.331 9.959 1113 2HB LEU 42 1HB LEU 42 -19.494 -11.110 10.979 1114 HG LEU 42 HG LEU 42 -18.010 -10.096 12.377 1115 1HD1 LEU 42 1HD1 LEU 42 -18.578 -12.158 13.615 1116 2HD1 LEU 42 3HD1 LEU 42 -17.176 -12.963 12.908 1117 3HD1 LEU 42 2HD1 LEU 42 -16.950 -11.601 14.005 1118 1HD2 LEU 42 1HD2 LEU 42 -16.261 -10.658 10.434 1119 2HD2 LEU 42 3HD2 LEU 42 -15.752 -10.005 11.990 1120 3HD2 LEU 42 2HD2 LEU 42 -15.626 -11.737 11.676 1121 H GLU 43 H GLU 43 -18.624 -13.597 8.492 1122 HA GLU 43 HA GLU 43 -21.448 -13.543 7.891 1123 1HB GLU 43 2HB GLU 43 -19.060 -14.763 6.464 1124 2HB GLU 43 1HB GLU 43 -20.631 -14.450 5.725 1125 1HG GLU 43 2HG GLU 43 -19.981 -12.039 6.936 1126 2HG GLU 43 1HG GLU 43 -18.448 -12.603 6.273 1127 H ASN 44 H ASN 44 -19.350 -15.902 9.242 1128 HA ASN 44 HA ASN 44 -20.827 -18.278 8.436 1129 1HB ASN 44 2HB ASN 44 -18.828 -17.631 10.627 1130 2HB ASN 44 1HB ASN 44 -19.415 -19.261 10.299 1131 1HD2 ASN 44 2HD2 ASN 44 -16.459 -19.270 8.227 1132 2HD2 ASN 44 1HD2 ASN 44 -16.988 -19.615 9.803 1133 H LYS 45 H LYS 45 -21.203 -15.800 10.808 1134 HA LYS 45 HA LYS 45 -23.244 -17.435 12.271 1135 1HB LYS 45 2HB LYS 45 -21.469 -15.101 13.024 1136 2HB LYS 45 1HB LYS 45 -22.803 -15.640 14.046 1137 1HG LYS 45 2HG LYS 45 -20.794 -16.737 14.823 1138 2HG LYS 45 1HG LYS 45 -21.791 -17.947 14.017 1139 1HD LYS 45 2HD LYS 45 -20.328 -18.189 12.274 1140 2HD LYS 45 1HD LYS 45 -19.872 -16.485 12.288 1141 1HE LYS 45 2HE LYS 45 -17.913 -17.401 13.140 1142 2HE LYS 45 1HE LYS 45 -18.813 -17.208 14.658 1143 1HZ LYS 45 3HZ LYS 45 -19.825 -19.492 13.876 1144 2HZ LYS 45 2HZ LYS 45 -18.328 -19.628 13.083 1145 3HZ LYS 45 1HZ LYS 45 -18.385 -19.429 14.770 1146 H ILE 46 H ILE 46 -22.754 -14.715 10.188 1147 HA ILE 46 HA ILE 46 -25.428 -13.581 10.904 1148 HB ILE 46 HB ILE 46 -23.185 -12.519 9.150 1149 1HG1 ILE 46 2HG1 ILE 46 -22.235 -12.321 11.272 1150 2HG1 ILE 46 1HG1 ILE 46 -23.142 -10.819 11.183 1151 1HG2 ILE 46 3HG2 ILE 46 -25.926 -11.730 9.531 1152 2HG2 ILE 46 2HG2 ILE 46 -24.859 -10.465 10.140 1153 3HG2 ILE 46 1HG2 ILE 46 -24.707 -11.019 8.472 1154 1HD1 ILE 46 3HD1 ILE 46 -24.334 -13.325 12.385 1155 2HD1 ILE 46 2HD1 ILE 46 -23.408 -12.174 13.334 1156 3HD1 ILE 46 1HD1 ILE 46 -24.897 -11.664 12.545 1157 H ILE 47 HN ILE 47 -23.862 -15.598 8.639 1158 HA ILE 47 HA ILE 47 -25.038 -15.042 6.161 1159 HB ILE 47 HB ILE 47 -23.461 -16.806 6.347 1160 1HG1 ILE 47 2HG1 ILE 47 -26.063 -18.333 6.118 1161 2HG1 ILE 47 1HG1 ILE 47 -25.511 -17.236 4.851 1162 1HG2 ILE 47 2HG2 ILE 47 -24.897 -17.337 8.790 1163 2HG2 ILE 47 1HG2 ILE 47 -24.744 -18.828 7.859 1164 3HG2 ILE 47 3HG2 ILE 47 -23.303 -17.912 8.299 1165 1HD1 ILE 47 2HD1 ILE 47 -23.601 -19.291 5.904 1166 2HD1 ILE 47 1HD1 ILE 47 -24.859 -19.801 4.778 1167 3HD1 ILE 47 3HD1 ILE 47 -23.692 -18.569 4.297 No H/Q in entry = 1167 Start of MODEL 19 1 1H GLY 1 3H GLY 1 18.734 -11.310 -12.635 2 2H GLY 1 2H GLY 1 20.089 -11.216 -11.615 3 3H GLY 1 1H GLY 1 18.525 -11.259 -10.952 4 1HA GLY 1 2HA GLY 1 18.011 -9.114 -11.896 5 2HA GLY 1 1HA GLY 1 19.458 -9.018 -10.892 6 H SER 2 H SER 2 18.212 -8.734 -14.109 7 HA SER 2 HA SER 2 20.658 -7.404 -15.003 8 1HB SER 2 2HB SER 2 20.420 -10.212 -15.237 9 2HB SER 2 1HB SER 2 20.163 -9.569 -16.857 10 HG SER 2 HG SER 2 22.121 -8.504 -16.710 11 H HIS 3 H HIS 3 20.021 -5.880 -16.488 12 HA HIS 3 HA HIS 3 17.384 -6.291 -17.857 13 1HB HIS 3 2HB HIS 3 17.704 -4.473 -16.076 14 2HB HIS 3 1HB HIS 3 18.770 -3.673 -17.233 15 HD1 HIS 3 HD1 HIS 3 17.628 -2.113 -18.803 16 HD2 HIS 3 HD2 HIS 3 15.011 -5.020 -17.362 17 HE1 HIS 3 HE1 HIS 3 15.352 -1.568 -19.768 18 H MET 4 H MET 4 17.275 -5.034 -19.992 19 HA MET 4 HA MET 4 19.740 -5.596 -21.551 20 1HB MET 4 2HB MET 4 17.063 -6.027 -21.948 21 2HB MET 4 1HB MET 4 17.309 -4.538 -22.862 22 1HG MET 4 2HG MET 4 17.784 -6.238 -24.430 23 2HG MET 4 1HG MET 4 19.376 -5.735 -23.864 24 1HE MET 4 2HE MET 4 20.997 -7.408 -23.787 25 2HE MET 4 1HE MET 4 20.690 -9.143 -23.750 26 3HE MET 4 3HE MET 4 20.018 -8.149 -25.050 27 H GLU 5 H GLU 5 19.982 -3.858 -23.456 28 HA GLU 5 HA GLU 5 20.688 -1.661 -23.981 29 1HB GLU 5 2HB GLU 5 18.076 -1.640 -23.465 30 2HB GLU 5 1HB GLU 5 18.589 -0.664 -22.087 31 1HG GLU 5 2HG GLU 5 18.864 1.130 -23.414 32 2HG GLU 5 1HG GLU 5 19.974 0.228 -24.446 33 H GLU 6 H GLU 6 21.092 0.601 -22.658 34 HA GLU 6 HA GLU 6 23.162 0.020 -20.747 35 1HB GLU 6 2HB GLU 6 23.322 2.435 -20.642 36 2HB GLU 6 1HB GLU 6 22.940 1.993 -22.306 37 1HG GLU 6 2HG GLU 6 20.480 2.322 -21.672 38 2HG GLU 6 1HG GLU 6 21.073 3.098 -20.202 39 H ASP 7 H ASP 7 23.114 1.050 -18.481 40 HA ASP 7 HA ASP 7 20.676 1.600 -17.119 41 1HB ASP 7 2HB ASP 7 20.612 -0.925 -17.867 42 2HB ASP 7 1HB ASP 7 21.692 -1.158 -16.493 43 HA PRO 8 HA PRO 8 24.687 2.265 -14.889 44 1HB PRO 8 2HB PRO 8 24.423 4.973 -14.612 45 2HB PRO 8 1HB PRO 8 25.170 4.216 -16.032 46 1HG PRO 8 2HG PRO 8 22.448 5.359 -15.707 47 2HG PRO 8 1HG PRO 8 23.519 5.369 -17.116 48 1HD PRO 8 2HD PRO 8 21.370 3.679 -16.810 49 2HD PRO 8 1HD PRO 8 22.767 3.351 -17.857 50 H CYS 9 H CYS 9 21.845 4.370 -14.230 51 HA CYS 9 HA CYS 9 21.892 3.357 -11.404 52 1HB CYS 9 2HB CYS 9 21.774 6.072 -12.648 53 2HB CYS 9 1HB CYS 9 20.858 5.822 -11.161 54 H GLU 10 H GLU 10 20.281 2.211 -13.535 55 HA GLU 10 HA GLU 10 18.016 1.797 -14.127 56 1HB GLU 10 2HB GLU 10 18.194 2.133 -11.133 57 2HB GLU 10 1HB GLU 10 16.675 1.676 -11.902 58 1HG GLU 10 2HG GLU 10 17.395 -0.454 -11.925 59 2HG GLU 10 1HG GLU 10 18.637 0.034 -13.079 60 H CYS 11 H CYS 11 18.703 4.541 -14.573 61 HA CYS 11 HA CYS 11 17.230 6.564 -13.431 62 1HB CYS 11 2HB CYS 11 18.106 5.865 -16.195 63 2HB CYS 11 1HB CYS 11 16.993 7.225 -16.022 64 H LYS 12 H LYS 12 15.987 3.958 -15.443 65 HA LYS 12 HA LYS 12 13.229 5.066 -15.028 66 1HB LYS 12 2HB LYS 12 14.263 3.369 -17.322 67 2HB LYS 12 1HB LYS 12 12.695 4.173 -17.225 68 1HG LYS 12 2HG LYS 12 13.642 5.952 -18.233 69 2HG LYS 12 1HG LYS 12 14.575 6.204 -16.757 70 1HD LYS 12 2HD LYS 12 16.377 5.914 -18.117 71 2HD LYS 12 1HD LYS 12 16.003 4.198 -17.950 72 1HE LYS 12 2HE LYS 12 16.079 4.447 -20.287 73 2HE LYS 12 1HE LYS 12 14.349 4.680 -19.965 74 1HZ LYS 12 1HZ LYS 12 14.904 7.096 -19.647 75 2HZ LYS 12 3HZ LYS 12 16.429 6.766 -20.311 76 3HZ LYS 12 2HZ LYS 12 15.029 6.529 -21.244 77 H SER 13 H SER 13 15.377 2.504 -14.408 78 HA SER 13 HA SER 13 13.448 0.310 -14.347 79 1HB SER 13 2HB SER 13 16.285 0.858 -13.618 80 2HB SER 13 1HB SER 13 15.523 -0.526 -12.844 81 HG SER 13 HG SER 13 15.416 -0.040 -15.634 82 H ILE 14 H ILE 14 14.568 2.738 -12.092 83 HA ILE 14 HA ILE 14 13.441 1.457 -9.702 84 HB ILE 14 HB ILE 14 14.650 4.134 -10.423 85 1HG1 ILE 14 2HG1 ILE 14 15.777 2.128 -8.501 86 2HG1 ILE 14 1HG1 ILE 14 15.933 1.843 -10.231 87 1HG2 ILE 14 3HG2 ILE 14 13.756 3.127 -7.703 88 2HG2 ILE 14 2HG2 ILE 14 14.739 4.567 -7.970 89 3HG2 ILE 14 1HG2 ILE 14 13.085 4.503 -8.579 90 1HD1 ILE 14 1HD1 ILE 14 16.913 4.131 -10.476 91 2HD1 ILE 14 3HD1 ILE 14 16.875 4.292 -8.721 92 3HD1 ILE 14 2HD1 ILE 14 17.893 3.064 -9.472 93 H VAL 15 H VAL 15 12.599 3.952 -12.022 94 HA VAL 15 HA VAL 15 10.200 4.815 -10.566 95 HB VAL 15 HB VAL 15 10.710 5.395 -13.468 96 1HG1 VAL 15 1HG1 VAL 15 9.823 6.960 -11.030 97 2HG1 VAL 15 3HG1 VAL 15 10.134 7.716 -12.594 98 3HG1 VAL 15 2HG1 VAL 15 8.854 6.515 -12.433 99 1HG2 VAL 15 1HG2 VAL 15 12.509 6.164 -11.168 100 2HG2 VAL 15 3HG2 VAL 15 12.957 5.614 -12.781 101 3HG2 VAL 15 2HG2 VAL 15 12.324 7.242 -12.551 102 H LYS 16 H LYS 16 11.139 2.393 -12.816 103 HA LYS 16 HA LYS 16 8.480 1.885 -13.943 104 1HB LYS 16 2HB LYS 16 10.752 1.318 -14.968 105 2HB LYS 16 1HB LYS 16 10.893 0.046 -13.755 106 1HG LYS 16 2HG LYS 16 8.593 0.303 -15.708 107 2HG LYS 16 1HG LYS 16 9.980 -0.760 -15.944 108 1HD LYS 16 2HD LYS 16 9.343 -1.602 -13.517 109 2HD LYS 16 1HD LYS 16 7.756 -0.968 -13.949 110 1HE LYS 16 2HE LYS 16 8.951 -2.540 -16.116 111 2HE LYS 16 1HE LYS 16 8.695 -3.487 -14.637 112 1HZ LYS 16 2HZ LYS 16 6.451 -2.357 -14.530 113 2HZ LYS 16 1HZ LYS 16 6.714 -1.870 -16.137 114 3HZ LYS 16 3HZ LYS 16 6.639 -3.522 -15.754 115 H PHE 17 H PHE 17 10.577 0.571 -11.398 116 HA PHE 17 HA PHE 17 8.795 -1.498 -10.490 117 1HB PHE 17 2HB PHE 17 10.965 -1.687 -9.660 118 2HB PHE 17 1HB PHE 17 11.156 0.056 -9.490 119 HD1 PHE 17 HD1 PHE 17 9.906 1.244 -7.614 120 HD2 PHE 17 HD2 PHE 17 10.294 -3.028 -7.818 121 HE1 PHE 17 HE1 PHE 17 9.335 1.079 -5.208 122 HE2 PHE 17 HE2 PHE 17 9.723 -3.194 -5.410 123 HZ PHE 17 HZ PHE 17 9.243 -1.140 -4.104 124 H GLN 18 H GLN 18 9.088 1.970 -9.906 125 HA GLN 18 HA GLN 18 7.344 2.242 -7.666 126 1HB GLN 18 2HB GLN 18 8.207 3.942 -9.994 127 2HB GLN 18 1HB GLN 18 6.996 4.556 -8.868 128 1HG GLN 18 2HG GLN 18 8.609 3.970 -6.992 129 2HG GLN 18 1HG GLN 18 9.826 3.689 -8.238 130 1HE2 GLN 18 2HE2 GLN 18 9.035 7.367 -9.176 131 2HE2 GLN 18 1HE2 GLN 18 8.425 5.945 -9.873 132 H THR 19 H THR 19 6.671 2.290 -11.162 133 HA THR 19 HA THR 19 3.876 2.787 -11.067 134 HB THR 19 HB THR 19 5.757 1.302 -12.906 135 HG1 THR 19 HG1 THR 19 5.403 3.722 -12.596 136 1HG2 THR 19 1HG2 THR 19 2.813 1.200 -12.861 137 2HG2 THR 19 3HG2 THR 19 3.501 1.665 -14.417 138 3HG2 THR 19 2HG2 THR 19 3.964 0.135 -13.670 139 H LYS 20 H LYS 20 5.721 -0.201 -10.593 140 HA LYS 20 HA LYS 20 3.465 -2.006 -10.616 141 1HB LYS 20 2HB LYS 20 6.260 -2.050 -9.440 142 2HB LYS 20 1HB LYS 20 5.172 -3.433 -9.328 143 1HG LYS 20 2HG LYS 20 5.159 -2.477 -12.032 144 2HG LYS 20 1HG LYS 20 6.833 -2.699 -11.519 145 1HD LYS 20 2HD LYS 20 6.409 -4.986 -10.874 146 2HD LYS 20 1HD LYS 20 4.674 -4.785 -11.119 147 1HE LYS 20 2HE LYS 20 5.742 -4.012 -13.569 148 2HE LYS 20 1HE LYS 20 6.749 -5.394 -13.090 149 1HZ LYS 20 2HZ LYS 20 4.461 -6.357 -12.341 150 2HZ LYS 20 1HZ LYS 20 3.841 -5.270 -13.489 151 3HZ LYS 20 3HZ LYS 20 4.939 -6.470 -13.968 152 H VAL 21 H VAL 21 5.019 0.016 -8.216 153 HA VAL 21 HA VAL 21 3.514 -1.050 -5.943 154 HB VAL 21 HB VAL 21 5.506 1.097 -6.562 155 1HG1 VAL 21 2HG1 VAL 21 3.731 1.048 -4.113 156 2HG1 VAL 21 1HG1 VAL 21 5.279 1.891 -4.163 157 3HG1 VAL 21 3HG1 VAL 21 3.971 2.383 -5.239 158 1HG2 VAL 21 3HG2 VAL 21 6.061 -1.272 -5.859 159 2HG2 VAL 21 2HG2 VAL 21 6.768 -0.020 -4.837 160 3HG2 VAL 21 1HG2 VAL 21 5.340 -0.903 -4.293 161 H GLU 22 H GLU 22 2.993 1.223 -8.472 162 HA GLU 22 HA GLU 22 1.094 2.951 -7.102 163 1HB GLU 22 2HB GLU 22 2.146 2.450 -9.851 164 2HB GLU 22 1HB GLU 22 0.607 3.298 -9.729 165 1HG GLU 22 2HG GLU 22 2.327 4.431 -7.774 166 2HG GLU 22 1HG GLU 22 3.249 4.325 -9.274 167 H GLU 23 H GLU 23 0.829 0.213 -9.384 168 HA GLU 23 HA GLU 23 -2.081 0.176 -9.322 169 1HB GLU 23 2HB GLU 23 -1.713 -1.947 -10.573 170 2HB GLU 23 1HB GLU 23 -0.727 -0.634 -11.217 171 1HG GLU 23 2HG GLU 23 1.242 -1.452 -10.150 172 2HG GLU 23 1HG GLU 23 0.320 -2.562 -9.138 173 H LEU 24 H LEU 24 0.524 -1.396 -7.547 174 HA LEU 24 HA LEU 24 -1.079 -3.419 -6.254 175 1HB LEU 24 2HB LEU 24 1.528 -2.995 -6.559 176 2HB LEU 24 1HB LEU 24 1.347 -2.158 -5.016 177 HG LEU 24 HG LEU 24 1.939 -4.543 -4.694 178 1HD1 LEU 24 3HD1 LEU 24 0.179 -3.111 -3.278 179 2HD1 LEU 24 2HD1 LEU 24 -0.918 -4.372 -3.839 180 3HD1 LEU 24 1HD1 LEU 24 0.510 -4.801 -2.898 181 1HD2 LEU 24 3HD2 LEU 24 0.553 -5.123 -6.860 182 2HD2 LEU 24 2HD2 LEU 24 0.650 -6.295 -5.546 183 3HD2 LEU 24 1HD2 LEU 24 -0.785 -5.285 -5.722 184 H ILE 25 H ILE 25 0.073 -0.196 -5.221 185 HA ILE 25 HA ILE 25 -1.137 -0.147 -2.654 186 HB ILE 25 HB ILE 25 0.105 1.658 -4.598 187 1HG1 ILE 25 2HG1 ILE 25 1.218 2.483 -2.650 188 2HG1 ILE 25 1HG1 ILE 25 -0.061 1.895 -1.588 189 1HG2 ILE 25 1HG2 ILE 25 -2.086 2.749 -2.810 190 2HG2 ILE 25 3HG2 ILE 25 -0.804 3.750 -3.493 191 3HG2 ILE 25 2HG2 ILE 25 -1.942 2.927 -4.559 192 1HD1 ILE 25 1HD1 ILE 25 0.992 -0.276 -3.190 193 2HD1 ILE 25 3HD1 ILE 25 2.292 0.530 -2.312 194 3HD1 ILE 25 2HD1 ILE 25 0.912 -0.129 -1.434 195 H ASN 26 H ASN 26 -2.449 0.695 -5.865 196 HA ASN 26 HA ASN 26 -4.963 1.741 -4.952 197 1HB ASN 26 2HB ASN 26 -3.690 1.665 -7.281 198 2HB ASN 26 1HB ASN 26 -4.662 0.213 -7.515 199 1HD2 ASN 26 2HD2 ASN 26 -6.622 3.178 -8.722 200 2HD2 ASN 26 1HD2 ASN 26 -5.109 2.521 -9.123 201 H THR 27 H THR 27 -3.892 -1.522 -5.832 202 HA THR 27 HA THR 27 -6.428 -2.847 -5.611 203 HB THR 27 HB THR 27 -3.528 -3.667 -5.316 204 HG1 THR 27 HG1 THR 27 -4.408 -2.991 -7.372 205 1HG2 THR 27 2HG2 THR 27 -5.909 -5.144 -4.589 206 2HG2 THR 27 1HG2 THR 27 -5.086 -5.930 -5.936 207 3HG2 THR 27 3HG2 THR 27 -4.218 -5.618 -4.433 208 H LEU 28 H LEU 28 -3.991 -1.911 -3.234 209 HA LEU 28 HA LEU 28 -5.053 -3.516 -1.055 210 1HB LEU 28 2HB LEU 28 -3.164 -1.192 -1.402 211 2HB LEU 28 1HB LEU 28 -3.646 -1.693 0.219 212 HG LEU 28 HG LEU 28 -2.822 -3.883 -1.601 213 1HD1 LEU 28 2HD1 LEU 28 -1.193 -2.085 -2.159 214 2HD1 LEU 28 1HD1 LEU 28 -0.803 -1.934 -0.446 215 3HD1 LEU 28 3HD1 LEU 28 -0.432 -3.428 -1.306 216 1HD2 LEU 28 3HD2 LEU 28 -3.077 -3.311 1.210 217 2HD2 LEU 28 2HD2 LEU 28 -2.782 -4.864 0.428 218 3HD2 LEU 28 1HD2 LEU 28 -1.426 -3.828 0.870 219 H GLN 29 H GLN 29 -5.372 -0.108 -2.039 220 HA GLN 29 HA GLN 29 -7.188 0.643 0.079 221 1HB GLN 29 2HB GLN 29 -5.659 1.979 -1.619 222 2HB GLN 29 1HB GLN 29 -7.089 1.913 -2.648 223 1HG GLN 29 2HG GLN 29 -8.353 3.236 -1.224 224 2HG GLN 29 1HG GLN 29 -7.426 2.767 0.203 225 1HE2 GLN 29 2HE2 GLN 29 -5.722 5.851 -0.043 226 2HE2 GLN 29 1HE2 GLN 29 -6.672 4.819 0.914 227 H GLN 30 H GLN 30 -7.498 -1.228 -2.759 228 HA GLN 30 HA GLN 30 -10.341 -0.692 -3.254 229 1HB GLN 30 2HB GLN 30 -8.199 -2.553 -4.272 230 2HB GLN 30 1HB GLN 30 -9.878 -2.772 -4.761 231 1HG GLN 30 2HG GLN 30 -8.882 0.003 -4.926 232 2HG GLN 30 1HG GLN 30 -8.130 -1.132 -6.041 233 1HE2 GLN 30 2HE2 GLN 30 -11.164 -1.743 -7.868 234 2HE2 GLN 30 1HE2 GLN 30 -9.683 -2.448 -7.430 235 H LYS 31 H LYS 31 -8.410 -3.492 -2.164 236 HA LYS 31 HA LYS 31 -10.677 -5.054 -1.299 237 1HB LYS 31 2HB LYS 31 -7.691 -5.038 -0.872 238 2HB LYS 31 1HB LYS 31 -8.699 -6.165 0.037 239 1HG LYS 31 2HG LYS 31 -8.824 -5.908 -2.975 240 2HG LYS 31 1HG LYS 31 -7.786 -7.070 -2.151 241 1HD LYS 31 2HD LYS 31 -9.631 -8.221 -1.206 242 2HD LYS 31 1HD LYS 31 -10.742 -6.902 -1.573 243 1HE LYS 31 2HE LYS 31 -10.001 -7.397 -4.076 244 2HE LYS 31 1HE LYS 31 -9.626 -8.998 -3.407 245 1HZ LYS 31 1HZ LYS 31 -11.938 -8.571 -2.229 246 2HZ LYS 31 3HZ LYS 31 -12.202 -7.632 -3.617 247 3HZ LYS 31 2HZ LYS 31 -11.837 -9.284 -3.768 248 H LEU 32 H LEU 32 -9.129 -2.285 -0.044 249 HA LEU 32 HA LEU 32 -9.748 -2.816 2.781 250 1HB LEU 32 2HB LEU 32 -7.773 -1.513 1.750 251 2HB LEU 32 1HB LEU 32 -8.937 -0.219 1.467 252 HG LEU 32 HG LEU 32 -9.403 -0.016 3.817 253 1HD1 LEU 32 3HD1 LEU 32 -7.878 -2.611 3.965 254 2HD1 LEU 32 2HD1 LEU 32 -8.012 -1.573 5.385 255 3HD1 LEU 32 1HD1 LEU 32 -9.466 -2.224 4.627 256 1HD2 LEU 32 2HD2 LEU 32 -6.507 -0.199 3.029 257 2HD2 LEU 32 1HD2 LEU 32 -7.470 1.231 3.401 258 3HD2 LEU 32 3HD2 LEU 32 -6.929 0.170 4.701 259 H GLU 33 H GLU 33 -10.836 -0.488 0.263 260 HA GLU 33 HA GLU 33 -12.936 0.669 1.848 261 1HB GLU 33 2HB GLU 33 -13.617 1.607 -0.280 262 2HB GLU 33 1HB GLU 33 -11.855 1.527 -0.284 263 1HG GLU 33 2HG GLU 33 -11.880 -0.483 -1.619 264 2HG GLU 33 1HG GLU 33 -13.633 -0.621 -1.466 265 H ALA 34 H ALA 34 -12.691 -2.210 -0.097 266 HA ALA 34 HA ALA 34 -15.562 -2.787 -0.143 267 1HB ALA 34 2HB ALA 34 -12.984 -4.012 -1.030 268 2HB ALA 34 1HB ALA 34 -14.344 -5.108 -0.789 269 3HB ALA 34 3HB ALA 34 -14.477 -3.776 -1.937 270 H VAL 35 H VAL 35 -12.710 -3.650 1.710 271 HA VAL 35 HA VAL 35 -13.762 -5.762 3.301 272 HB VAL 35 HB VAL 35 -11.491 -3.926 3.159 273 1HG1 VAL 35 1HG1 VAL 35 -12.634 -4.583 5.863 274 2HG1 VAL 35 3HG1 VAL 35 -10.890 -4.443 5.649 275 3HG1 VAL 35 2HG1 VAL 35 -11.935 -3.069 5.292 276 1HG2 VAL 35 2HG2 VAL 35 -11.463 -6.358 2.663 277 2HG2 VAL 35 1HG2 VAL 35 -10.282 -5.917 3.895 278 3HG2 VAL 35 3HG2 VAL 35 -11.796 -6.691 4.364 279 H ALA 36 H ALA 36 -13.735 -2.221 3.772 280 HA ALA 36 HA ALA 36 -15.092 -2.242 6.310 281 1HB ALA 36 1HB ALA 36 -13.796 -0.428 4.730 282 2HB ALA 36 3HB ALA 36 -15.474 0.037 4.452 283 3HB ALA 36 2HB ALA 36 -14.822 0.023 6.091 284 H LYS 37 H LYS 37 -16.154 -2.258 2.937 285 HA LYS 37 HA LYS 37 -18.946 -1.700 3.471 286 1HB LYS 37 2HB LYS 37 -17.306 -2.880 1.232 287 2HB LYS 37 1HB LYS 37 -19.066 -2.895 1.133 288 1HG LYS 37 2HG LYS 37 -19.220 -0.577 1.036 289 2HG LYS 37 1HG LYS 37 -17.680 -0.340 1.863 290 1HD LYS 37 2HD LYS 37 -16.598 -0.216 -0.104 291 2HD LYS 37 1HD LYS 37 -17.229 -1.792 -0.580 292 1HE LYS 37 2HE LYS 37 -19.159 -0.840 -1.594 293 2HE LYS 37 1HE LYS 37 -18.907 0.721 -0.788 294 1HZ LYS 37 2HZ LYS 37 -16.759 -0.386 -2.457 295 2HZ LYS 37 1HZ LYS 37 -18.078 0.363 -3.223 296 3HZ LYS 37 3HZ LYS 37 -17.134 1.237 -2.118 297 H ARG 38 H ARG 38 -16.945 -4.578 3.563 298 HA ARG 38 HA ARG 38 -19.140 -6.487 3.609 299 1HB ARG 38 2HB ARG 38 -16.267 -6.698 4.562 300 2HB ARG 38 1HB ARG 38 -17.328 -8.041 4.142 301 1HG ARG 38 2HG ARG 38 -17.102 -6.017 2.025 302 2HG ARG 38 1HG ARG 38 -15.578 -6.819 2.404 303 1HD ARG 38 2HD ARG 38 -18.005 -8.548 2.143 304 2HD ARG 38 1HD ARG 38 -17.284 -7.900 0.657 305 HE ARG 38 HE ARG 38 -16.010 -9.810 2.486 306 1HH1 ARG 38 1HH2 ARG 38 -13.774 -8.169 2.433 307 2HH1 ARG 38 2HH2 ARG 38 -13.040 -8.393 0.880 308 1HH2 ARG 38 2HH1 ARG 38 -15.881 -9.762 -0.561 309 2HH2 ARG 38 1HH1 ARG 38 -14.235 -9.288 -0.817 310 H ILE 39 H ILE 39 -16.979 -5.046 6.050 311 HA ILE 39 HA ILE 39 -18.054 -6.332 8.341 312 HB ILE 39 HB ILE 39 -16.805 -3.609 7.866 313 1HG1 ILE 39 2HG1 ILE 39 -15.831 -6.349 8.675 314 2HG1 ILE 39 1HG1 ILE 39 -15.223 -5.297 7.399 315 1HG2 ILE 39 2HG2 ILE 39 -18.306 -4.078 10.044 316 2HG2 ILE 39 1HG2 ILE 39 -16.820 -4.865 10.574 317 3HG2 ILE 39 3HG2 ILE 39 -16.804 -3.160 10.128 318 1HD1 ILE 39 2HD1 ILE 39 -14.641 -3.672 9.353 319 2HD1 ILE 39 1HD1 ILE 39 -14.792 -5.104 10.370 320 3HD1 ILE 39 3HD1 ILE 39 -13.600 -5.066 9.072 321 H GLU 40 H GLU 40 -19.076 -3.415 6.587 322 HA GLU 40 HA GLU 40 -21.175 -2.631 8.389 323 1HB GLU 40 2HB GLU 40 -20.884 -2.320 5.376 324 2HB GLU 40 1HB GLU 40 -21.954 -1.365 6.402 325 1HG GLU 40 2HG GLU 40 -19.183 -1.405 7.359 326 2HG GLU 40 1HG GLU 40 -19.352 -0.695 5.753 327 H ALA 41 H ALA 41 -20.937 -4.919 5.709 328 HA ALA 41 HA ALA 41 -23.681 -5.553 5.337 329 1HB ALA 41 2HB ALA 41 -21.239 -6.385 4.375 330 2HB ALA 41 1HB ALA 41 -21.752 -7.796 5.302 331 3HB ALA 41 3HB ALA 41 -22.770 -7.177 4.000 332 H LEU 42 H LEU 42 -21.312 -6.652 7.720 333 HA LEU 42 HA LEU 42 -23.118 -8.552 9.008 334 1HB LEU 42 2HB LEU 42 -20.479 -7.243 9.736 335 2HB LEU 42 1HB LEU 42 -21.255 -8.449 10.751 336 HG LEU 42 HG LEU 42 -20.108 -9.985 9.557 337 1HD1 LEU 42 3HD1 LEU 42 -21.932 -9.099 7.299 338 2HD1 LEU 42 2HD1 LEU 42 -21.018 -10.607 7.331 339 3HD1 LEU 42 1HD1 LEU 42 -22.300 -10.328 8.509 340 1HD2 LEU 42 2HD2 LEU 42 -19.457 -7.562 8.015 341 2HD2 LEU 42 1HD2 LEU 42 -18.402 -8.858 8.579 342 3HD2 LEU 42 3HD2 LEU 42 -19.333 -9.062 7.095 343 H GLU 43 H GLU 43 -22.208 -5.171 9.389 344 HA GLU 43 HA GLU 43 -23.416 -4.758 11.982 345 1HB GLU 43 2HB GLU 43 -22.858 -2.865 9.673 346 2HB GLU 43 1HB GLU 43 -23.100 -2.393 11.355 347 1HG GLU 43 2HG GLU 43 -21.135 -4.367 11.477 348 2HG GLU 43 1HG GLU 43 -20.709 -3.415 10.057 349 H ASN 44 H ASN 44 -24.666 -5.199 8.818 350 HA ASN 44 HA ASN 44 -27.130 -3.670 9.123 351 1HB ASN 44 2HB ASN 44 -26.314 -5.963 7.299 352 2HB ASN 44 1HB ASN 44 -27.725 -4.933 7.063 353 1HD2 ASN 44 2HD2 ASN 44 -25.172 -2.079 6.756 354 2HD2 ASN 44 1HD2 ASN 44 -26.184 -2.503 8.051 355 H LYS 45 H LYS 45 -25.963 -6.798 10.068 356 HA LYS 45 HA LYS 45 -28.726 -7.630 10.868 357 1HB LYS 45 2HB LYS 45 -26.182 -9.073 10.122 358 2HB LYS 45 1HB LYS 45 -27.460 -9.900 11.015 359 1HG LYS 45 2HG LYS 45 -27.721 -10.243 8.583 360 2HG LYS 45 1HG LYS 45 -29.078 -9.330 9.244 361 1HD LYS 45 2HD LYS 45 -28.439 -7.363 8.218 362 2HD LYS 45 1HD LYS 45 -26.726 -7.785 8.240 363 1HE LYS 45 2HE LYS 45 -27.441 -7.926 5.935 364 2HE LYS 45 1HE LYS 45 -27.297 -9.598 6.510 365 1HZ LYS 45 1HZ LYS 45 -29.826 -8.138 6.881 366 2HZ LYS 45 3HZ LYS 45 -29.486 -8.835 5.372 367 3HZ LYS 45 2HZ LYS 45 -29.562 -9.811 6.762 368 H ILE 46 H ILE 46 -25.679 -6.541 12.019 369 HA ILE 46 HA ILE 46 -26.066 -7.740 14.717 370 HB ILE 46 HB ILE 46 -23.875 -6.099 13.399 371 1HG1 ILE 46 2HG1 ILE 46 -23.330 -8.176 12.612 372 2HG1 ILE 46 1HG1 ILE 46 -22.735 -8.445 14.245 373 1HG2 ILE 46 2HG2 ILE 46 -24.487 -6.421 16.169 374 2HG2 ILE 46 1HG2 ILE 46 -23.009 -7.318 15.823 375 3HG2 ILE 46 3HG2 ILE 46 -23.106 -5.598 15.441 376 1HD1 ILE 46 2HD1 ILE 46 -25.526 -9.136 13.272 377 2HD1 ILE 46 1HD1 ILE 46 -24.213 -10.290 13.508 378 3HD1 ILE 46 3HD1 ILE 46 -24.895 -9.434 14.892 379 H ILE 47 HN ILE 47 -26.582 -4.824 12.931 380 HA ILE 47 HA ILE 47 -26.450 -2.876 15.025 381 HB ILE 47 HB ILE 47 -26.560 -2.339 12.642 382 1HG1 ILE 47 2HG1 ILE 47 -29.215 -1.369 13.646 383 2HG1 ILE 47 1HG1 ILE 47 -27.759 -0.911 14.532 384 1HG2 ILE 47 3HG2 ILE 47 -28.685 -4.264 12.717 385 2HG2 ILE 47 2HG2 ILE 47 -29.325 -2.747 12.085 386 3HG2 ILE 47 1HG2 ILE 47 -27.939 -3.513 11.306 387 1HD1 ILE 47 3HD1 ILE 47 -28.208 -0.483 11.564 388 2HD1 ILE 47 2HD1 ILE 47 -28.327 0.767 12.802 389 3HD1 ILE 47 1HD1 ILE 47 -26.774 -0.001 12.470 390 1H GLY 1 3H GLY 1 2.576 15.975 -19.106 391 2H GLY 1 2H GLY 1 3.043 14.915 -20.350 392 3H GLY 1 1H GLY 1 2.099 14.349 -19.056 393 1HA GLY 1 2HA GLY 1 3.884 14.651 -17.514 394 2HA GLY 1 1HA GLY 1 4.455 13.689 -18.879 395 H SER 2 H SER 2 4.929 16.567 -17.095 396 HA SER 2 HA SER 2 7.370 17.194 -18.546 397 1HB SER 2 2HB SER 2 4.901 18.196 -19.523 398 2HB SER 2 1HB SER 2 5.726 19.559 -18.772 399 HG SER 2 HG SER 2 7.429 19.270 -20.118 400 H HIS 3 H HIS 3 8.704 18.097 -17.012 401 HA HIS 3 HA HIS 3 7.417 19.458 -14.668 402 1HB HIS 3 2HB HIS 3 8.734 17.260 -14.441 403 2HB HIS 3 1HB HIS 3 10.171 18.211 -14.819 404 HD1 HIS 3 HD1 HIS 3 11.307 19.187 -12.830 405 HD2 HIS 3 HD2 HIS 3 7.252 18.544 -12.100 406 HE1 HIS 3 HE1 HIS 3 10.904 19.823 -10.412 407 H MET 4 H MET 4 8.989 21.118 -13.648 408 HA MET 4 HA MET 4 9.997 22.882 -15.820 409 1HB MET 4 2HB MET 4 8.429 23.308 -13.637 410 2HB MET 4 1HB MET 4 10.010 23.723 -12.973 411 1HG MET 4 2HG MET 4 9.348 25.768 -13.877 412 2HG MET 4 1HG MET 4 10.270 25.081 -15.213 413 1HE MET 4 2HE MET 4 9.591 25.542 -17.292 414 2HE MET 4 1HE MET 4 7.980 25.972 -17.859 415 3HE MET 4 3HE MET 4 8.815 27.003 -16.688 416 H GLU 5 H GLU 5 12.050 24.192 -15.062 417 HA GLU 5 HA GLU 5 14.363 24.118 -14.577 418 1HB GLU 5 2HB GLU 5 13.011 23.537 -12.352 419 2HB GLU 5 1HB GLU 5 13.791 21.970 -12.570 420 1HG GLU 5 2HG GLU 5 15.755 22.785 -11.834 421 2HG GLU 5 1HG GLU 5 15.699 24.096 -13.015 422 H GLU 6 H GLU 6 16.167 22.228 -14.120 423 HA GLU 6 HA GLU 6 16.219 20.613 -16.500 424 1HB GLU 6 2HB GLU 6 18.313 19.820 -15.539 425 2HB GLU 6 1HB GLU 6 18.159 21.544 -15.199 426 1HG GLU 6 2HG GLU 6 17.169 20.928 -12.959 427 2HG GLU 6 1HG GLU 6 17.589 19.250 -13.308 428 H ASP 7 H ASP 7 16.526 18.159 -16.370 429 HA ASP 7 HA ASP 7 15.555 16.617 -14.185 430 1HB ASP 7 2HB ASP 7 13.533 18.031 -15.089 431 2HB ASP 7 1HB ASP 7 13.518 16.840 -16.388 432 HA PRO 8 HA PRO 8 17.481 14.416 -17.777 433 1HB PRO 8 2HB PRO 8 19.583 13.365 -16.379 434 2HB PRO 8 1HB PRO 8 19.633 14.970 -17.133 435 1HG PRO 8 2HG PRO 8 19.225 14.230 -14.288 436 2HG PRO 8 1HG PRO 8 20.078 15.614 -14.986 437 1HD PRO 8 2HD PRO 8 17.550 15.723 -13.907 438 2HD PRO 8 1HD PRO 8 18.186 16.876 -15.099 439 H CYS 9 H CYS 9 17.734 13.107 -14.445 440 HA CYS 9 HA CYS 9 16.252 10.680 -15.399 441 1HB CYS 9 2HB CYS 9 18.807 11.101 -13.912 442 2HB CYS 9 1HB CYS 9 17.820 9.714 -13.444 443 H GLU 10 H GLU 10 15.047 13.002 -14.128 444 HA GLU 10 HA GLU 10 13.762 13.608 -12.228 445 1HB GLU 10 2HB GLU 10 13.414 10.656 -12.746 446 2HB GLU 10 1HB GLU 10 12.487 11.465 -11.481 447 1HG GLU 10 2HG GLU 10 11.037 12.150 -13.059 448 2HG GLU 10 1HG GLU 10 12.325 13.146 -13.738 449 H CYS 11 H CYS 11 16.511 13.271 -11.520 450 HA CYS 11 HA CYS 11 17.260 11.545 -9.514 451 1HB CYS 11 2HB CYS 11 17.705 14.434 -10.122 452 2HB CYS 11 1HB CYS 11 18.303 13.830 -8.573 453 H LYS 12 H LYS 12 14.919 14.159 -9.248 454 HA LYS 12 HA LYS 12 14.425 13.324 -6.409 455 1HB LYS 12 2HB LYS 12 14.020 16.064 -7.639 456 2HB LYS 12 1HB LYS 12 13.978 15.647 -5.927 457 1HG LYS 12 2HG LYS 12 16.172 16.157 -5.850 458 2HG LYS 12 1HG LYS 12 16.460 14.706 -6.811 459 1HD LYS 12 2HD LYS 12 17.401 16.219 -8.255 460 2HD LYS 12 1HD LYS 12 15.727 16.395 -8.783 461 1HE LYS 12 2HE LYS 12 16.293 18.631 -8.394 462 2HE LYS 12 1HE LYS 12 15.655 18.182 -6.799 463 1HZ LYS 12 1HZ LYS 12 18.017 17.382 -6.337 464 2HZ LYS 12 3HZ LYS 12 18.475 18.312 -7.679 465 3HZ LYS 12 2HZ LYS 12 17.751 19.060 -6.337 466 H SER 13 H SER 13 13.155 13.529 -9.543 467 HA SER 13 HA SER 13 10.368 14.088 -8.850 468 1HB SER 13 2HB SER 13 12.005 13.319 -11.217 469 2HB SER 13 1HB SER 13 10.282 12.971 -11.301 470 HG SER 13 HG SER 13 11.217 15.477 -10.417 471 H ILE 14 H ILE 14 12.400 11.262 -9.117 472 HA ILE 14 HA ILE 14 10.205 9.312 -9.104 473 HB ILE 14 HB ILE 14 13.216 9.259 -8.824 474 1HG1 ILE 14 2HG1 ILE 14 11.606 8.068 -11.051 475 2HG1 ILE 14 1HG1 ILE 14 11.866 9.807 -11.012 476 1HG2 ILE 14 3HG2 ILE 14 11.280 6.926 -8.979 477 2HG2 ILE 14 2HG2 ILE 14 13.031 6.791 -9.136 478 3HG2 ILE 14 1HG2 ILE 14 12.322 7.328 -7.613 479 1HD1 ILE 14 1HD1 ILE 14 14.324 9.392 -10.804 480 2HD1 ILE 14 3HD1 ILE 14 14.011 7.668 -11.014 481 3HD1 ILE 14 2HD1 ILE 14 13.647 8.797 -12.320 482 H VAL 15 H VAL 15 12.475 10.772 -6.865 483 HA VAL 15 HA VAL 15 11.705 9.055 -4.615 484 HB VAL 15 HB VAL 15 13.165 11.663 -4.311 485 1HG1 VAL 15 1HG1 VAL 15 13.468 8.834 -3.276 486 2HG1 VAL 15 3HG1 VAL 15 14.644 10.106 -2.947 487 3HG1 VAL 15 2HG1 VAL 15 12.987 10.264 -2.363 488 1HG2 VAL 15 1HG2 VAL 15 14.088 9.302 -5.953 489 2HG2 VAL 15 3HG2 VAL 15 14.234 11.020 -6.319 490 3HG2 VAL 15 2HG2 VAL 15 15.257 10.293 -5.082 491 H LYS 16 H LYS 16 10.645 11.946 -6.148 492 HA LYS 16 HA LYS 16 9.225 13.082 -3.847 493 1HB LYS 16 2HB LYS 16 10.053 14.299 -5.937 494 2HB LYS 16 1HB LYS 16 8.748 13.506 -6.817 495 1HG LYS 16 2HG LYS 16 8.359 15.230 -4.358 496 2HG LYS 16 1HG LYS 16 8.152 15.801 -6.013 497 1HD LYS 16 2HD LYS 16 6.561 13.689 -6.196 498 2HD LYS 16 1HD LYS 16 6.468 13.884 -4.445 499 1HE LYS 16 2HE LYS 16 6.180 16.418 -5.930 500 2HE LYS 16 1HE LYS 16 4.879 15.248 -6.227 501 1HZ LYS 16 2HZ LYS 16 4.733 14.906 -3.811 502 2HZ LYS 16 1HZ LYS 16 5.885 16.132 -3.574 503 3HZ LYS 16 3HZ LYS 16 4.375 16.509 -4.251 504 H PHE 17 H PHE 17 8.513 11.083 -6.687 505 HA PHE 17 HA PHE 17 5.700 10.731 -6.202 506 1HB PHE 17 2HB PHE 17 6.401 10.054 -8.324 507 2HB PHE 17 1HB PHE 17 7.922 9.399 -7.719 508 HD1 PHE 17 HD1 PHE 17 7.879 7.223 -6.397 509 HD2 PHE 17 HD2 PHE 17 4.500 8.656 -8.627 510 HE1 PHE 17 HE1 PHE 17 6.891 4.950 -6.358 511 HE2 PHE 17 HE2 PHE 17 3.511 6.384 -8.588 512 HZ PHE 17 HZ PHE 17 4.706 4.529 -7.455 513 H GLN 18 H GLN 18 8.641 9.207 -4.995 514 HA GLN 18 HA GLN 18 7.524 6.928 -3.699 515 1HB GLN 18 2HB GLN 18 9.926 8.703 -3.332 516 2HB GLN 18 1HB GLN 18 9.617 7.404 -2.180 517 1HG GLN 18 2HG GLN 18 9.419 5.847 -4.192 518 2HG GLN 18 1HG GLN 18 10.078 7.168 -5.159 519 1HE2 GLN 18 2HE2 GLN 18 13.015 6.911 -2.636 520 2HE2 GLN 18 1HE2 GLN 18 11.694 7.976 -2.608 521 H THR 19 H THR 19 8.038 10.254 -2.532 522 HA THR 19 HA THR 19 7.131 9.912 0.146 523 HB THR 19 HB THR 19 7.180 12.169 -1.861 524 HG1 THR 19 HG1 THR 19 9.053 11.277 -0.681 525 1HG2 THR 19 1HG2 THR 19 5.661 12.031 0.651 526 2HG2 THR 19 3HG2 THR 19 6.772 13.399 0.567 527 3HG2 THR 19 2HG2 THR 19 5.540 13.186 -0.676 528 H LYS 20 H LYS 20 5.350 10.369 -2.884 529 HA LYS 20 HA LYS 20 2.756 10.819 -1.701 530 1HB LYS 20 2HB LYS 20 3.788 9.806 -4.365 531 2HB LYS 20 1HB LYS 20 2.064 10.004 -4.050 532 1HG LYS 20 2HG LYS 20 3.558 12.354 -3.213 533 2HG LYS 20 1HG LYS 20 3.835 11.995 -4.918 534 1HD LYS 20 2HD LYS 20 1.432 11.950 -5.341 535 2HD LYS 20 1HD LYS 20 1.097 12.184 -3.626 536 1HE LYS 20 2HE LYS 20 2.736 14.314 -4.088 537 2HE LYS 20 1HE LYS 20 1.928 14.170 -5.662 538 1HZ LYS 20 2HZ LYS 20 -0.160 13.785 -4.206 539 2HZ LYS 20 1HZ LYS 20 0.737 14.575 -2.999 540 3HZ LYS 20 3HZ LYS 20 0.391 15.372 -4.456 541 H VAL 21 H VAL 21 4.663 8.003 -2.543 542 HA VAL 21 HA VAL 21 2.516 6.068 -2.058 543 HB VAL 21 HB VAL 21 5.433 6.120 -2.743 544 1HG1 VAL 21 2HG1 VAL 21 3.967 3.667 -1.730 545 2HG1 VAL 21 1HG1 VAL 21 5.535 3.642 -2.537 546 3HG1 VAL 21 3HG1 VAL 21 5.361 4.437 -0.972 547 1HG2 VAL 21 3HG2 VAL 21 3.336 6.075 -4.317 548 2HG2 VAL 21 2HG2 VAL 21 4.721 5.051 -4.700 549 3HG2 VAL 21 1HG2 VAL 21 3.299 4.358 -3.919 550 H GLU 22 H GLU 22 4.784 7.843 -0.182 551 HA GLU 22 HA GLU 22 5.052 5.980 2.036 552 1HB GLU 22 2HB GLU 22 5.746 8.798 1.327 553 2HB GLU 22 1HB GLU 22 5.737 8.382 3.039 554 1HG GLU 22 2HG GLU 22 7.039 6.254 1.685 555 2HG GLU 22 1HG GLU 22 7.722 7.755 1.059 556 H GLU 23 H GLU 23 3.121 8.920 1.417 557 HA GLU 23 HA GLU 23 1.704 8.774 3.958 558 1HB GLU 23 2HB GLU 23 0.378 10.595 2.905 559 2HB GLU 23 1HB GLU 23 2.109 10.864 2.696 560 1HG GLU 23 2HG GLU 23 2.049 10.092 0.429 561 2HG GLU 23 1HG GLU 23 0.411 9.470 0.619 562 H LEU 24 H LEU 24 1.172 7.648 0.661 563 HA LEU 24 HA LEU 24 -1.597 6.909 0.938 564 1HB LEU 24 2HB LEU 24 0.060 7.178 -1.109 565 2HB LEU 24 1HB LEU 24 0.371 5.466 -0.817 566 HG LEU 24 HG LEU 24 -1.450 5.794 -2.468 567 1HD1 LEU 24 3HD1 LEU 24 -1.357 3.944 -0.585 568 2HD1 LEU 24 2HD1 LEU 24 -2.779 4.788 0.029 569 3HD1 LEU 24 1HD1 LEU 24 -2.793 4.102 -1.597 570 1HD2 LEU 24 3HD2 LEU 24 -2.177 7.973 -1.205 571 2HD2 LEU 24 2HD2 LEU 24 -3.414 6.978 -1.974 572 3HD2 LEU 24 1HD2 LEU 24 -3.155 6.872 -0.233 573 H ILE 25 H ILE 25 1.441 5.032 1.220 574 HA ILE 25 HA ILE 25 0.279 2.526 1.879 575 HB ILE 25 HB ILE 25 2.872 3.896 1.943 576 1HG1 ILE 25 2HG1 ILE 25 3.629 1.833 1.002 577 2HG1 ILE 25 1HG1 ILE 25 2.259 0.946 1.670 578 1HG2 ILE 25 1HG2 ILE 25 2.286 1.785 4.037 579 2HG2 ILE 25 3HG2 ILE 25 3.916 2.178 3.493 580 3HG2 ILE 25 2HG2 ILE 25 2.936 3.402 4.300 581 1HD1 ILE 25 1HD1 ILE 25 1.378 3.178 0.020 582 2HD1 ILE 25 3HD1 ILE 25 2.413 2.070 -0.884 583 3HD1 ILE 25 2HD1 ILE 25 0.956 1.468 -0.092 584 H ASN 26 H ASN 26 1.195 5.288 3.951 585 HA ASN 26 HA ASN 26 0.659 4.046 6.472 586 1HB ASN 26 2HB ASN 26 1.753 6.334 5.713 587 2HB ASN 26 1HB ASN 26 0.111 6.946 5.916 588 1HD2 ASN 26 2HD2 ASN 26 1.950 7.191 9.198 589 2HD2 ASN 26 1HD2 ASN 26 2.271 7.774 7.638 590 H THR 27 H THR 27 -1.400 5.900 4.261 591 HA THR 27 HA THR 27 -3.773 5.954 5.858 592 HB THR 27 HB THR 27 -3.154 6.031 2.899 593 HG1 THR 27 HG1 THR 27 -2.530 7.873 3.814 594 1HG2 THR 27 2HG2 THR 27 -5.708 5.602 4.165 595 2HG2 THR 27 1HG2 THR 27 -5.689 7.187 3.391 596 3HG2 THR 27 3HG2 THR 27 -5.337 5.740 2.446 597 H LEU 28 H LEU 28 -2.411 3.504 3.694 598 HA LEU 28 HA LEU 28 -4.794 1.851 3.569 599 1HB LEU 28 2HB LEU 28 -1.851 1.561 2.983 600 2HB LEU 28 1HB LEU 28 -2.897 0.143 2.925 601 HG LEU 28 HG LEU 28 -3.930 2.541 1.527 602 1HD1 LEU 28 2HD1 LEU 28 -1.484 2.582 0.987 603 2HD1 LEU 28 1HD1 LEU 28 -1.626 0.930 0.384 604 3HD1 LEU 28 3HD1 LEU 28 -2.492 2.239 -0.419 605 1HD2 LEU 28 3HD2 LEU 28 -4.196 -0.341 1.523 606 2HD2 LEU 28 2HD2 LEU 28 -5.243 0.867 0.779 607 3HD2 LEU 28 1HD2 LEU 28 -3.853 0.240 -0.106 608 H GLN 29 H GLN 29 -1.820 1.792 5.528 609 HA GLN 29 HA GLN 29 -2.543 -0.523 7.099 610 1HB GLN 29 2HB GLN 29 -0.287 0.780 6.643 611 2HB GLN 29 1HB GLN 29 -0.783 1.726 8.045 612 1HG GLN 29 2HG GLN 29 -0.600 -0.072 9.501 613 2HG GLN 29 1HG GLN 29 -0.890 -1.261 8.230 614 1HE2 GLN 29 2HE2 GLN 29 2.574 -1.849 8.046 615 2HE2 GLN 29 1HE2 GLN 29 1.010 -2.497 8.169 616 H GLN 30 H GLN 30 -3.609 2.715 7.025 617 HA GLN 30 HA GLN 30 -4.384 2.926 9.844 618 1HB GLN 30 2HB GLN 30 -4.703 4.514 7.301 619 2HB GLN 30 1HB GLN 30 -5.568 4.988 8.762 620 1HG GLN 30 2HG GLN 30 -2.698 4.374 9.131 621 2HG GLN 30 1HG GLN 30 -3.051 5.808 8.176 622 1HE2 GLN 30 2HE2 GLN 30 -4.701 7.489 10.942 623 2HE2 GLN 30 1HE2 GLN 30 -4.827 7.293 9.261 624 H LYS 31 H LYS 31 -6.108 2.760 6.723 625 HA LYS 31 HA LYS 31 -8.715 2.304 7.867 626 1HB LYS 31 2HB LYS 31 -7.362 1.972 5.196 627 2HB LYS 31 1HB LYS 31 -9.009 1.379 5.416 628 1HG LYS 31 2HG LYS 31 -8.170 4.198 6.128 629 2HG LYS 31 1HG LYS 31 -8.813 3.763 4.543 630 1HD LYS 31 2HD LYS 31 -10.915 3.158 5.432 631 2HD LYS 31 1HD LYS 31 -10.283 3.042 7.075 632 1HE LYS 31 2HE LYS 31 -9.712 5.627 6.629 633 2HE LYS 31 1HE LYS 31 -11.098 5.465 5.532 634 1HZ LYS 31 1HZ LYS 31 -12.041 4.118 7.564 635 2HZ LYS 31 3HZ LYS 31 -10.978 5.109 8.438 636 3HZ LYS 31 2HZ LYS 31 -12.200 5.808 7.486 637 H LEU 32 H LEU 32 -5.927 0.344 7.504 638 HA LEU 32 HA LEU 32 -7.328 -2.236 7.385 639 1HB LEU 32 2HB LEU 32 -5.045 -1.544 6.399 640 2HB LEU 32 1HB LEU 32 -4.434 -1.668 8.048 641 HG LEU 32 HG LEU 32 -5.008 -3.997 8.173 642 1HD1 LEU 32 3HD1 LEU 32 -6.514 -3.400 5.627 643 2HD1 LEU 32 2HD1 LEU 32 -6.034 -5.049 6.031 644 3HD1 LEU 32 1HD1 LEU 32 -7.111 -4.154 7.106 645 1HD2 LEU 32 2HD2 LEU 32 -3.632 -3.100 5.654 646 2HD2 LEU 32 1HD2 LEU 32 -2.937 -3.853 7.089 647 3HD2 LEU 32 3HD2 LEU 32 -3.875 -4.821 5.952 648 H GLU 33 H GLU 33 -5.306 -0.492 9.788 649 HA GLU 33 HA GLU 33 -5.676 -2.394 11.912 650 1HB GLU 33 2HB GLU 33 -4.768 -0.571 13.273 651 2HB GLU 33 1HB GLU 33 -3.926 -0.604 11.724 652 1HG GLU 33 2HG GLU 33 -5.234 1.231 10.884 653 2HG GLU 33 1HG GLU 33 -6.315 1.170 12.276 654 H ALA 34 H ALA 34 -7.580 0.245 10.690 655 HA ALA 34 HA ALA 34 -9.413 0.352 12.985 656 1HB ALA 34 2HB ALA 34 -9.005 1.677 10.340 657 2HB ALA 34 1HB ALA 34 -10.648 1.687 10.980 658 3HB ALA 34 3HB ALA 34 -9.333 2.402 11.914 659 H VAL 35 H VAL 35 -9.187 -1.091 9.798 660 HA VAL 35 HA VAL 35 -11.862 -2.043 9.503 661 HB VAL 35 HB VAL 35 -9.174 -2.369 8.367 662 1HG1 VAL 35 1HG1 VAL 35 -9.707 -4.757 9.060 663 2HG1 VAL 35 3HG1 VAL 35 -11.077 -4.684 7.953 664 3HG1 VAL 35 2HG1 VAL 35 -9.435 -4.514 7.337 665 1HG2 VAL 35 2HG2 VAL 35 -11.065 -1.096 7.371 666 2HG2 VAL 35 1HG2 VAL 35 -10.435 -2.329 6.279 667 3HG2 VAL 35 3HG2 VAL 35 -11.939 -2.611 7.154 668 H ALA 36 H ALA 36 -8.954 -3.460 11.014 669 HA ALA 36 HA ALA 36 -10.188 -5.959 11.765 670 1HB ALA 36 1HB ALA 36 -7.671 -4.869 11.712 671 2HB ALA 36 3HB ALA 36 -8.020 -4.841 13.440 672 3HB ALA 36 2HB ALA 36 -8.076 -6.364 12.553 673 H LYS 37 H LYS 37 -10.000 -2.746 13.197 674 HA LYS 37 HA LYS 37 -10.948 -3.514 15.831 675 1HB LYS 37 2HB LYS 37 -10.707 -0.974 14.214 676 2HB LYS 37 1HB LYS 37 -11.475 -0.953 15.802 677 1HG LYS 37 2HG LYS 37 -9.504 -1.524 16.913 678 2HG LYS 37 1HG LYS 37 -8.796 -2.274 15.483 679 1HD LYS 37 2HD LYS 37 -7.760 -0.346 14.967 680 2HD LYS 37 1HD LYS 37 -9.317 0.479 14.890 681 1HE LYS 37 2HE LYS 37 -9.205 1.173 17.138 682 2HE LYS 37 1HE LYS 37 -8.011 -0.073 17.556 683 1HZ LYS 37 2HZ LYS 37 -7.401 1.917 15.473 684 2HZ LYS 37 1HZ LYS 37 -7.200 2.328 17.108 685 3HZ LYS 37 3HZ LYS 37 -6.333 1.028 16.449 686 H ARG 38 H ARG 38 -12.465 -2.696 12.767 687 HA ARG 38 HA ARG 38 -15.141 -2.315 13.827 688 1HB ARG 38 2HB ARG 38 -14.181 -3.067 11.048 689 2HB ARG 38 1HB ARG 38 -15.725 -2.319 11.455 690 1HG ARG 38 2HG ARG 38 -13.393 -0.861 12.495 691 2HG ARG 38 1HG ARG 38 -13.460 -0.935 10.734 692 1HD ARG 38 2HD ARG 38 -15.990 -0.271 12.198 693 2HD ARG 38 1HD ARG 38 -14.751 0.989 12.040 694 HE ARG 38 HE ARG 38 -16.296 -0.166 9.838 695 1HH1 ARG 38 1HH2 ARG 38 -13.831 -0.665 8.603 696 2HH1 ARG 38 2HH2 ARG 38 -13.270 0.869 8.027 697 1HH2 ARG 38 2HH1 ARG 38 -15.381 2.706 10.072 698 2HH2 ARG 38 1HH1 ARG 38 -14.146 2.779 8.861 699 H ILE 39 H ILE 39 -13.420 -4.995 12.224 700 HA ILE 39 HA ILE 39 -15.549 -6.876 12.203 701 HB ILE 39 HB ILE 39 -12.543 -7.160 12.480 702 1HG1 ILE 39 2HG1 ILE 39 -14.511 -6.963 10.219 703 2HG1 ILE 39 1HG1 ILE 39 -12.946 -6.176 10.402 704 1HG2 ILE 39 2HG2 ILE 39 -14.284 -9.143 13.107 705 2HG2 ILE 39 1HG2 ILE 39 -14.183 -9.371 11.361 706 3HG2 ILE 39 3HG2 ILE 39 -12.722 -9.442 12.344 707 1HD1 ILE 39 2HD1 ILE 39 -11.924 -8.525 10.200 708 2HD1 ILE 39 1HD1 ILE 39 -13.513 -9.045 9.641 709 3HD1 ILE 39 3HD1 ILE 39 -12.612 -7.832 8.732 710 H GLU 40 H GLU 40 -13.174 -6.039 14.710 711 HA GLU 40 HA GLU 40 -13.961 -8.045 16.623 712 1HB GLU 40 2HB GLU 40 -12.830 -5.246 17.012 713 2HB GLU 40 1HB GLU 40 -12.762 -6.557 18.191 714 1HG GLU 40 2HG GLU 40 -11.723 -7.357 15.577 715 2HG GLU 40 1HG GLU 40 -10.831 -6.003 16.271 716 H ALA 41 H ALA 41 -15.126 -4.811 15.802 717 HA ALA 41 HA ALA 41 -16.872 -4.363 18.004 718 1HB ALA 41 2HB ALA 41 -16.144 -3.051 15.738 719 2HB ALA 41 1HB ALA 41 -17.750 -3.601 15.263 720 3HB ALA 41 3HB ALA 41 -17.552 -2.591 16.695 721 H LEU 42 H LEU 42 -17.195 -6.287 15.063 722 HA LEU 42 HA LEU 42 -19.996 -6.999 15.550 723 1HB LEU 42 2HB LEU 42 -17.796 -7.979 13.705 724 2HB LEU 42 1HB LEU 42 -19.422 -8.645 13.678 725 HG LEU 42 HG LEU 42 -19.906 -7.029 12.178 726 1HD1 LEU 42 3HD1 LEU 42 -19.539 -5.247 14.600 727 2HD1 LEU 42 2HD1 LEU 42 -20.265 -4.708 13.088 728 3HD1 LEU 42 1HD1 LEU 42 -21.039 -5.978 14.035 729 1HD2 LEU 42 2HD2 LEU 42 -17.175 -6.260 12.899 730 2HD2 LEU 42 1HD2 LEU 42 -17.953 -6.300 11.316 731 3HD2 LEU 42 3HD2 LEU 42 -18.158 -4.897 12.366 732 H GLU 43 H GLU 43 -16.801 -8.319 16.221 733 HA GLU 43 HA GLU 43 -17.660 -10.960 17.023 734 1HB GLU 43 2HB GLU 43 -15.232 -9.292 17.770 735 2HB GLU 43 1HB GLU 43 -15.360 -11.043 17.920 736 1HG GLU 43 2HG GLU 43 -16.113 -10.558 15.291 737 2HG GLU 43 1HG GLU 43 -14.785 -9.430 15.563 738 H ASN 44 H ASN 44 -17.867 -7.853 18.449 739 HA ASN 44 HA ASN 44 -17.812 -8.649 21.248 740 1HB ASN 44 2HB ASN 44 -18.981 -6.257 19.777 741 2HB ASN 44 1HB ASN 44 -18.754 -6.352 21.522 742 1HD2 ASN 44 2HD2 ASN 44 -15.021 -6.700 20.651 743 2HD2 ASN 44 1HD2 ASN 44 -16.138 -7.890 21.111 744 H LYS 45 H LYS 45 -20.170 -8.566 18.679 745 HA LYS 45 HA LYS 45 -22.361 -9.249 20.595 746 1HB LYS 45 2HB LYS 45 -22.191 -8.058 17.827 747 2HB LYS 45 1HB LYS 45 -23.710 -8.729 18.425 748 1HG LYS 45 2HG LYS 45 -23.556 -6.300 18.884 749 2HG LYS 45 1HG LYS 45 -23.614 -7.236 20.379 750 1HD LYS 45 2HD LYS 45 -21.406 -6.805 20.901 751 2HD LYS 45 1HD LYS 45 -20.929 -6.649 19.210 752 1HE LYS 45 2HE LYS 45 -20.843 -4.424 20.124 753 2HE LYS 45 1HE LYS 45 -22.345 -4.490 19.181 754 1HZ LYS 45 1HZ LYS 45 -22.434 -5.413 21.954 755 2HZ LYS 45 3HZ LYS 45 -22.336 -3.738 21.699 756 3HZ LYS 45 2HZ LYS 45 -23.628 -4.622 21.036 757 H ILE 46 H ILE 46 -20.244 -10.553 18.215 758 HA ILE 46 HA ILE 46 -22.060 -12.825 17.590 759 HB ILE 46 HB ILE 46 -19.309 -11.963 16.633 760 1HG1 ILE 46 2HG1 ILE 46 -20.605 -10.620 15.315 761 2HG1 ILE 46 1HG1 ILE 46 -20.930 -12.100 14.425 762 1HG2 ILE 46 2HG2 ILE 46 -20.566 -14.547 16.554 763 2HG2 ILE 46 1HG2 ILE 46 -20.435 -13.913 14.914 764 3HG2 ILE 46 3HG2 ILE 46 -18.993 -14.064 15.918 765 1HD1 ILE 46 2HD1 ILE 46 -22.634 -11.057 16.707 766 2HD1 ILE 46 1HD1 ILE 46 -23.012 -10.864 14.995 767 3HD1 ILE 46 3HD1 ILE 46 -22.973 -12.475 15.714 768 H ILE 47 HN ILE 47 -19.462 -11.949 19.696 769 HA ILE 47 HA ILE 47 -18.273 -14.537 20.125 770 HB ILE 47 HB ILE 47 -17.244 -12.398 20.753 771 1HG1 ILE 47 2HG1 ILE 47 -17.837 -13.760 23.371 772 2HG1 ILE 47 1HG1 ILE 47 -16.953 -14.626 22.114 773 1HG2 ILE 47 3HG2 ILE 47 -19.821 -12.103 22.178 774 2HG2 ILE 47 2HG2 ILE 47 -18.407 -11.554 23.075 775 3HG2 ILE 47 1HG2 ILE 47 -18.768 -10.868 21.492 776 1HD1 ILE 47 1HD1 ILE 47 -15.312 -12.768 22.007 777 2HD1 ILE 47 3HD1 ILE 47 -16.178 -11.944 23.304 778 3HD1 ILE 47 2HD1 ILE 47 -15.381 -13.486 23.615 779 1H GLY 1 3H GLY 1 19.786 13.325 8.496 780 2H GLY 1 2H GLY 1 19.474 14.895 7.925 781 3H GLY 1 1H GLY 1 18.188 13.840 8.262 782 1HA GLY 1 2HA GLY 1 18.818 12.392 6.466 783 2HA GLY 1 1HA GLY 1 18.604 14.040 5.868 784 H SER 2 H SER 2 20.944 11.533 6.566 785 HA SER 2 HA SER 2 22.869 12.800 4.743 786 1HB SER 2 2HB SER 2 22.899 13.364 7.517 787 2HB SER 2 1HB SER 2 24.246 12.268 7.227 788 HG SER 2 HG SER 2 25.052 13.678 5.725 789 H HIS 3 H HIS 3 23.849 11.123 3.664 790 HA HIS 3 HA HIS 3 23.878 8.433 4.988 791 1HB HIS 3 2HB HIS 3 22.543 8.924 2.848 792 2HB HIS 3 1HB HIS 3 24.102 9.073 2.038 793 HD1 HIS 3 HD1 HIS 3 24.951 6.942 1.075 794 HD2 HIS 3 HD2 HIS 3 22.431 6.251 4.323 795 HE1 HIS 3 HE1 HIS 3 24.756 4.428 1.306 796 H MET 4 H MET 4 25.772 7.036 4.099 797 HA MET 4 HA MET 4 28.271 8.632 4.345 798 1HB MET 4 2HB MET 4 27.381 6.339 5.521 799 2HB MET 4 1HB MET 4 28.313 5.669 4.181 800 1HG MET 4 2HG MET 4 29.914 5.889 5.893 801 2HG MET 4 1HG MET 4 30.162 7.340 4.919 802 1HE MET 4 2HE MET 4 30.833 9.187 6.012 803 2HE MET 4 1HE MET 4 30.574 9.626 7.698 804 3HE MET 4 3HE MET 4 31.476 8.161 7.293 805 H GLU 5 H GLU 5 30.151 7.576 2.959 806 HA GLU 5 HA GLU 5 31.043 7.265 0.791 807 1HB GLU 5 2HB GLU 5 29.373 5.252 1.344 808 2HB GLU 5 1HB GLU 5 28.469 5.959 0.004 809 1HG GLU 5 2HG GLU 5 29.930 5.152 -1.509 810 2HG GLU 5 1HG GLU 5 31.304 5.806 -0.615 811 H GLU 6 H GLU 6 30.321 7.573 -1.671 812 HA GLU 6 HA GLU 6 29.486 10.271 -2.027 813 1HB GLU 6 2HB GLU 6 29.546 9.676 -4.380 814 2HB GLU 6 1HB GLU 6 30.831 8.784 -3.566 815 1HG GLU 6 2HG GLU 6 29.227 6.843 -3.351 816 2HG GLU 6 1HG GLU 6 28.112 7.733 -4.388 817 H ASP 7 H ASP 7 27.489 10.897 -3.354 818 HA ASP 7 HA ASP 7 25.182 9.233 -3.485 819 1HB ASP 7 2HB ASP 7 25.718 9.628 -0.943 820 2HB ASP 7 1HB ASP 7 25.006 11.215 -1.232 821 HA PRO 8 HA PRO 8 25.075 13.366 -5.573 822 1HB PRO 8 2HB PRO 8 24.800 12.398 -8.117 823 2HB PRO 8 1HB PRO 8 26.377 12.662 -7.347 824 1HG PRO 8 2HG PRO 8 24.876 10.138 -7.768 825 2HG PRO 8 1HG PRO 8 26.619 10.439 -7.803 826 1HD PRO 8 2HD PRO 8 25.275 9.289 -5.693 827 2HD PRO 8 1HD PRO 8 26.845 10.111 -5.565 828 H CYS 9 H CYS 9 23.249 10.602 -6.973 829 HA CYS 9 HA CYS 9 20.732 12.163 -6.479 830 1HB CYS 9 2HB CYS 9 21.862 10.709 -8.835 831 2HB CYS 9 1HB CYS 9 20.110 10.691 -8.619 832 H GLU 10 H GLU 10 21.811 10.217 -4.632 833 HA GLU 10 HA GLU 10 21.280 8.152 -3.581 834 1HB GLU 10 2HB GLU 10 18.719 9.490 -4.452 835 2HB GLU 10 1HB GLU 10 18.690 8.006 -3.499 836 1HG GLU 10 2HG GLU 10 18.970 9.257 -1.652 837 2HG GLU 10 1HG GLU 10 20.580 9.675 -2.241 838 H CYS 11 H CYS 11 22.087 7.714 -6.297 839 HA CYS 11 HA CYS 11 20.466 6.357 -8.051 840 1HB CYS 11 2HB CYS 11 23.280 6.084 -7.112 841 2HB CYS 11 1HB CYS 11 22.653 4.800 -8.151 842 H LYS 12 H LYS 12 21.566 5.188 -4.917 843 HA LYS 12 HA LYS 12 19.924 2.713 -5.353 844 1HB LYS 12 2HB LYS 12 22.368 3.091 -3.594 845 2HB LYS 12 1HB LYS 12 21.568 1.566 -3.978 846 1HG LYS 12 2HG LYS 12 22.993 1.377 -5.715 847 2HG LYS 12 1HG LYS 12 22.113 2.705 -6.471 848 1HD LYS 12 2HD LYS 12 24.157 3.723 -6.445 849 2HD LYS 12 1HD LYS 12 23.720 4.095 -4.777 850 1HE LYS 12 2HE LYS 12 25.830 3.107 -4.494 851 2HE LYS 12 1HE LYS 12 24.766 1.700 -4.305 852 1HZ LYS 12 1HZ LYS 12 24.925 1.505 -6.816 853 2HZ LYS 12 3HZ LYS 12 26.248 2.564 -6.718 854 3HZ LYS 12 2HZ LYS 12 26.305 1.059 -5.931 855 H SER 13 H SER 13 20.305 5.574 -3.546 856 HA SER 13 HA SER 13 19.262 4.619 -0.992 857 1HB SER 13 2HB SER 13 19.977 7.180 -2.336 858 2HB SER 13 1HB SER 13 18.891 7.287 -0.955 859 HG SER 13 HG SER 13 21.205 5.699 -0.810 860 H ILE 14 H ILE 14 17.889 5.808 -3.974 861 HA ILE 14 HA ILE 14 15.204 6.296 -2.885 862 HB ILE 14 HB ILE 14 16.498 6.190 -5.618 863 1HG1 ILE 14 2HG1 ILE 14 15.275 8.598 -4.313 864 2HG1 ILE 14 1HG1 ILE 14 16.866 8.053 -3.796 865 1HG2 ILE 14 3HG2 ILE 14 13.644 6.923 -4.892 866 2HG2 ILE 14 2HG2 ILE 14 14.386 7.227 -6.463 867 3HG2 ILE 14 1HG2 ILE 14 14.154 5.571 -5.902 868 1HD1 ILE 14 1HD1 ILE 14 17.589 8.078 -6.201 869 2HD1 ILE 14 3HD1 ILE 14 16.038 8.811 -6.607 870 3HD1 ILE 14 2HD1 ILE 14 17.174 9.672 -5.569 871 H VAL 15 H VAL 15 16.938 3.830 -4.680 872 HA VAL 15 HA VAL 15 14.571 2.165 -5.146 873 HB VAL 15 HB VAL 15 17.396 1.158 -5.312 874 1HG1 VAL 15 1HG1 VAL 15 14.849 0.950 -6.919 875 2HG1 VAL 15 3HG1 VAL 15 16.397 0.443 -7.595 876 3HG1 VAL 15 2HG1 VAL 15 15.766 -0.343 -6.148 877 1HG2 VAL 15 1HG2 VAL 15 16.238 3.444 -6.910 878 2HG2 VAL 15 3HG2 VAL 15 17.845 3.303 -6.199 879 3HG2 VAL 15 2HG2 VAL 15 17.430 2.362 -7.629 880 H LYS 16 H LYS 16 16.915 2.705 -2.686 881 HA LYS 16 HA LYS 16 16.641 0.121 -1.336 882 1HB LYS 16 2HB LYS 16 18.582 1.764 -1.176 883 2HB LYS 16 1HB LYS 16 17.522 2.816 -0.239 884 1HG LYS 16 2HG LYS 16 18.122 -0.059 0.485 885 2HG LYS 16 1HG LYS 16 18.990 1.323 1.156 886 1HD LYS 16 2HD LYS 16 16.561 2.195 1.707 887 2HD LYS 16 1HD LYS 16 16.140 0.486 1.582 888 1HE LYS 16 2HE LYS 16 18.580 0.985 3.161 889 2HE LYS 16 1HE LYS 16 17.103 1.665 3.873 890 1HZ LYS 16 2HZ LYS 16 16.015 -0.506 3.358 891 2HZ LYS 16 1HZ LYS 16 17.548 -1.129 2.971 892 3HZ LYS 16 3HZ LYS 16 17.224 -0.599 4.550 893 H PHE 17 H PHE 17 15.320 3.406 -1.046 894 HA PHE 17 HA PHE 17 13.594 2.911 1.197 895 1HB PHE 17 2HB PHE 17 13.860 5.171 0.682 896 2HB PHE 17 1HB PHE 17 13.862 4.875 -1.055 897 HD1 PHE 17 HD1 PHE 17 11.672 4.244 -2.187 898 HD2 PHE 17 HD2 PHE 17 11.868 5.798 1.810 899 HE1 PHE 17 HE1 PHE 17 9.266 4.821 -2.298 900 HE2 PHE 17 HE2 PHE 17 9.460 6.380 1.703 901 HZ PHE 17 HZ PHE 17 8.157 5.889 -0.353 902 H GLN 18 H GLN 18 13.366 2.330 -2.277 903 HA GLN 18 HA GLN 18 10.573 1.754 -2.479 904 1HB GLN 18 2HB GLN 18 13.081 0.928 -3.931 905 2HB GLN 18 1HB GLN 18 11.523 0.253 -4.404 906 1HG GLN 18 2HG GLN 18 10.667 2.652 -4.540 907 2HG GLN 18 1HG GLN 18 12.349 3.163 -4.397 908 1HE2 GLN 18 2HE2 GLN 18 12.793 0.949 -7.551 909 2HE2 GLN 18 1HE2 GLN 18 13.084 0.542 -5.930 910 H THR 19 H THR 19 13.356 -0.350 -1.754 911 HA THR 19 HA THR 19 11.993 -2.832 -1.551 912 HB THR 19 HB THR 19 14.435 -1.592 -0.282 913 HG1 THR 19 HG1 THR 19 14.166 -2.441 -2.538 914 1HG2 THR 19 1HG2 THR 19 13.018 -4.049 0.542 915 2HG2 THR 19 3HG2 THR 19 14.743 -4.253 0.236 916 3HG2 THR 19 2HG2 THR 19 14.192 -3.074 1.427 917 H LYS 20 H LYS 20 12.292 -0.151 0.742 918 HA LYS 20 HA LYS 20 11.180 -1.531 3.027 919 1HB LYS 20 2HB LYS 20 11.451 1.363 2.165 920 2HB LYS 20 1HB LYS 20 10.784 0.907 3.733 921 1HG LYS 20 2HG LYS 20 13.224 -0.552 3.256 922 2HG LYS 20 1HG LYS 20 13.515 1.176 3.049 923 1HD LYS 20 2HD LYS 20 12.678 1.670 5.240 924 2HD LYS 20 1HD LYS 20 12.040 0.035 5.433 925 1HE LYS 20 2HE LYS 20 14.683 -0.492 4.909 926 2HE LYS 20 1HE LYS 20 14.795 1.021 5.830 927 1HZ LYS 20 2HZ LYS 20 12.962 -0.130 7.263 928 2HZ LYS 20 1HZ LYS 20 13.635 -1.556 6.631 929 3HZ LYS 20 3HZ LYS 20 14.600 -0.488 7.527 930 H VAL 21 H VAL 21 9.885 0.227 0.285 931 HA VAL 21 HA VAL 21 7.121 0.252 1.260 932 HB VAL 21 HB VAL 21 8.690 1.017 -1.177 933 1HG1 VAL 21 2HG1 VAL 21 5.678 0.683 -1.109 934 2HG1 VAL 21 1HG1 VAL 21 6.544 1.605 -2.338 935 3HG1 VAL 21 3HG1 VAL 21 6.806 -0.133 -2.191 936 1HG2 VAL 21 3HG2 VAL 21 8.240 2.516 0.817 937 2HG2 VAL 21 2HG2 VAL 21 7.730 3.178 -0.737 938 3HG2 VAL 21 1HG2 VAL 21 6.536 2.486 0.362 939 H GLU 22 H GLU 22 9.225 -1.960 -0.328 940 HA GLU 22 HA GLU 22 7.226 -3.518 -1.754 941 1HB GLU 22 2HB GLU 22 10.112 -3.657 -0.995 942 2HB GLU 22 1HB GLU 22 9.332 -5.166 -1.464 943 1HG GLU 22 2HG GLU 22 8.517 -3.149 -3.311 944 2HG GLU 22 1HG GLU 22 10.273 -3.071 -3.160 945 H GLU 23 H GLU 23 8.983 -3.903 1.335 946 HA GLU 23 HA GLU 23 7.550 -6.329 2.071 947 1HB GLU 23 2HB GLU 23 8.764 -5.964 4.208 948 2HB GLU 23 1HB GLU 23 9.836 -5.796 2.819 949 1HG GLU 23 2HG GLU 23 9.772 -3.401 2.952 950 2HG GLU 23 1HG GLU 23 8.458 -3.439 4.128 951 H LEU 24 H LEU 24 7.142 -2.875 2.600 952 HA LEU 24 HA LEU 24 5.192 -3.069 4.728 953 1HB LEU 24 2HB LEU 24 6.677 -1.105 3.767 954 2HB LEU 24 1HB LEU 24 5.297 -0.852 2.698 955 HG LEU 24 HG LEU 24 5.112 0.514 4.756 956 1HD1 LEU 24 3HD1 LEU 24 3.129 -0.699 3.525 957 2HD1 LEU 24 2HD1 LEU 24 3.055 -1.664 4.999 958 3HD1 LEU 24 1HD1 LEU 24 2.836 0.084 5.077 959 1HD2 LEU 24 3HD2 LEU 24 6.345 -1.346 6.106 960 2HD2 LEU 24 2HD2 LEU 24 5.059 -0.445 6.910 961 3HD2 LEU 24 1HD2 LEU 24 4.743 -2.062 6.281 962 H ILE 25 H ILE 25 4.943 -2.637 1.189 963 HA ILE 25 HA ILE 25 2.111 -2.558 0.995 964 HB ILE 25 HB ILE 25 4.478 -2.943 -0.698 965 1HG1 ILE 25 2HG1 ILE 25 3.342 -1.374 -2.096 966 2HG1 ILE 25 1HG1 ILE 25 1.774 -1.790 -1.407 967 1HG2 ILE 25 1HG2 ILE 25 1.870 -4.256 -1.523 968 2HG2 ILE 25 3HG2 ILE 25 3.180 -3.867 -2.640 969 3HG2 ILE 25 2HG2 ILE 25 3.440 -5.040 -1.349 970 1HD1 ILE 25 1HD1 ILE 25 3.682 -0.934 0.634 971 2HD1 ILE 25 3HD1 ILE 25 3.405 0.310 -0.586 972 3HD1 ILE 25 2HD1 ILE 25 2.046 -0.357 0.319 973 H ASN 26 H ASN 26 4.364 -5.333 1.027 974 HA ASN 26 HA ASN 26 2.426 -7.380 0.532 975 1HB ASN 26 2HB ASN 26 5.076 -7.295 0.699 976 2HB ASN 26 1HB ASN 26 4.765 -7.773 2.369 977 1HD2 ASN 26 2HD2 ASN 26 5.026 -10.874 0.258 978 2HD2 ASN 26 1HD2 ASN 26 6.067 -9.570 0.572 979 H THR 27 H THR 27 3.610 -5.920 3.543 980 HA THR 27 HA THR 27 2.153 -7.548 5.390 981 HB THR 27 HB THR 27 3.252 -4.727 5.384 982 HG1 THR 27 HG1 THR 27 4.748 -6.409 5.364 983 1HG2 THR 27 2HG2 THR 27 1.446 -5.987 7.302 984 2HG2 THR 27 1HG2 THR 27 2.972 -5.510 8.043 985 3HG2 THR 27 3HG2 THR 27 1.986 -4.312 7.206 986 H LEU 28 H LEU 28 1.247 -4.702 3.498 987 HA LEU 28 HA LEU 28 -1.239 -4.185 4.908 988 1HB LEU 28 2HB LEU 28 0.052 -3.407 2.299 989 2HB LEU 28 1HB LEU 28 -1.629 -2.971 2.601 990 HG LEU 28 HG LEU 28 0.266 -2.413 4.812 991 1HD1 LEU 28 2HD1 LEU 28 1.599 -1.747 2.840 992 2HD1 LEU 28 1HD1 LEU 28 0.246 -0.779 2.256 993 3HD1 LEU 28 3HD1 LEU 28 1.066 -0.335 3.753 994 1HD2 LEU 28 3HD2 LEU 28 -2.325 -1.587 3.843 995 2HD2 LEU 28 2HD2 LEU 28 -1.578 -1.261 5.406 996 3HD2 LEU 28 1HD2 LEU 28 -1.290 -0.175 4.047 997 H GLN 29 H GLN 29 -0.389 -5.886 1.898 998 HA GLN 29 HA GLN 29 -3.077 -6.718 1.252 999 1HB GLN 29 2HB GLN 29 -0.803 -6.566 -0.092 1000 2HB GLN 29 1HB GLN 29 -0.583 -8.214 0.491 1001 1HG GLN 29 2HG GLN 29 -2.380 -9.037 -0.719 1002 2HG GLN 29 1HG GLN 29 -3.217 -7.483 -0.727 1003 1HE2 GLN 29 2HE2 GLN 29 -2.113 -7.169 -4.080 1004 2HE2 GLN 29 1HE2 GLN 29 -3.446 -7.357 -3.046 1005 H GLN 30 H GLN 30 -0.800 -7.687 3.606 1006 HA GLN 30 HA GLN 30 -1.688 -10.474 3.854 1007 1HB GLN 30 2HB GLN 30 0.151 -8.566 5.295 1008 2HB GLN 30 1HB GLN 30 -0.219 -10.144 5.988 1009 1HG GLN 30 2HG GLN 30 0.471 -10.226 3.131 1010 2HG GLN 30 1HG GLN 30 1.776 -9.669 4.172 1011 1HE2 GLN 30 2HE2 GLN 30 2.117 -12.812 5.865 1012 2HE2 GLN 30 1HE2 GLN 30 2.387 -11.145 6.022 1013 H LYS 31 H LYS 31 -1.861 -7.528 5.877 1014 HA LYS 31 HA LYS 31 -3.748 -8.622 7.765 1015 1HB LYS 31 2HB LYS 31 -2.727 -5.906 6.955 1016 2HB LYS 31 1HB LYS 31 -4.047 -6.032 8.119 1017 1HG LYS 31 2HG LYS 31 -1.458 -7.565 8.426 1018 2HG LYS 31 1HG LYS 31 -1.698 -5.959 9.118 1019 1HD LYS 31 2HD LYS 31 -3.458 -6.711 10.525 1020 2HD LYS 31 1HD LYS 31 -3.633 -8.220 9.629 1021 1HE LYS 31 2HE LYS 31 -1.044 -8.465 10.370 1022 2HE LYS 31 1HE LYS 31 -1.650 -7.495 11.728 1023 1HZ LYS 31 1HZ LYS 31 -3.659 -9.155 11.497 1024 2HZ LYS 31 3HZ LYS 31 -2.464 -10.168 10.848 1025 3HZ LYS 31 2HZ LYS 31 -2.291 -9.555 12.423 1026 H LEU 32 H LEU 32 -4.013 -7.564 4.535 1027 HA LEU 32 HA LEU 32 -6.819 -6.696 4.669 1028 1HB LEU 32 2HB LEU 32 -4.897 -5.880 3.148 1029 2HB LEU 32 1HB LEU 32 -5.150 -7.373 2.246 1030 HG LEU 32 HG LEU 32 -7.414 -6.769 1.718 1031 1HD1 LEU 32 3HD1 LEU 32 -6.961 -4.637 3.799 1032 2HD1 LEU 32 2HD1 LEU 32 -8.210 -4.443 2.570 1033 3HD1 LEU 32 1HD1 LEU 32 -8.276 -5.807 3.685 1034 1HD2 LEU 32 2HD2 LEU 32 -5.342 -4.621 1.367 1035 2HD2 LEU 32 1HD2 LEU 32 -6.049 -5.690 0.157 1036 3HD2 LEU 32 3HD2 LEU 32 -6.988 -4.340 0.796 1037 H GLU 33 H GLU 33 -5.000 -9.428 3.209 1038 HA GLU 33 HA GLU 33 -7.329 -10.861 2.305 1039 1HB GLU 33 2HB GLU 33 -5.710 -12.665 2.000 1040 2HB GLU 33 1HB GLU 33 -4.941 -11.138 1.562 1041 1HG GLU 33 2HG GLU 33 -3.830 -11.014 3.711 1042 2HG GLU 33 1HG GLU 33 -4.707 -12.431 4.292 1043 H ALA 34 H ALA 34 -5.615 -10.675 5.338 1044 HA ALA 34 HA ALA 34 -6.973 -12.971 6.561 1045 1HB ALA 34 2HB ALA 34 -5.028 -10.818 7.337 1046 2HB ALA 34 1HB ALA 34 -5.872 -11.686 8.621 1047 3HB ALA 34 3HB ALA 34 -4.860 -12.568 7.477 1048 H VAL 35 H VAL 35 -7.264 -9.481 6.377 1049 HA VAL 35 HA VAL 35 -9.225 -9.045 8.404 1050 HB VAL 35 HB VAL 35 -7.981 -7.718 6.105 1051 1HG1 VAL 35 1HG1 VAL 35 -10.905 -7.298 6.621 1052 2HG1 VAL 35 3HG1 VAL 35 -9.901 -5.925 6.161 1053 3HG1 VAL 35 2HG1 VAL 35 -10.032 -7.320 5.090 1054 1HG2 VAL 35 2HG2 VAL 35 -7.636 -7.305 8.584 1055 2HG2 VAL 35 1HG2 VAL 35 -7.920 -5.857 7.616 1056 3HG2 VAL 35 3HG2 VAL 35 -9.222 -6.534 8.595 1057 H ALA 36 H ALA 36 -9.474 -9.915 4.955 1058 HA ALA 36 HA ALA 36 -12.359 -9.912 4.843 1059 1HB ALA 36 1HB ALA 36 -10.287 -10.072 3.068 1060 2HB ALA 36 3HB ALA 36 -10.802 -11.759 3.115 1061 3HB ALA 36 2HB ALA 36 -11.949 -10.499 2.658 1062 H LYS 37 H LYS 37 -9.895 -12.275 5.745 1063 HA LYS 37 HA LYS 37 -11.636 -14.589 5.821 1064 1HB LYS 37 2HB LYS 37 -8.959 -13.783 6.953 1065 2HB LYS 37 1HB LYS 37 -9.681 -15.328 7.406 1066 1HG LYS 37 2HG LYS 37 -9.542 -16.181 5.244 1067 2HG LYS 37 1HG LYS 37 -9.530 -14.580 4.504 1068 1HD LYS 37 2HD LYS 37 -7.281 -14.560 4.503 1069 2HD LYS 37 1HD LYS 37 -7.255 -14.831 6.247 1070 1HE LYS 37 2HE LYS 37 -7.196 -17.188 6.000 1071 2HE LYS 37 1HE LYS 37 -7.737 -17.107 4.311 1072 1HZ LYS 37 2HZ LYS 37 -5.321 -15.629 5.047 1073 2HZ LYS 37 1HZ LYS 37 -5.192 -17.319 4.920 1074 3HZ LYS 37 3HZ LYS 37 -5.712 -16.409 3.587 1075 H ARG 38 H ARG 38 -10.918 -11.970 8.041 1076 HA ARG 38 HA ARG 38 -12.057 -13.241 10.397 1077 1HB ARG 38 2HB ARG 38 -11.553 -10.325 9.713 1078 2HB ARG 38 1HB ARG 38 -11.740 -10.997 11.333 1079 1HG ARG 38 2HG ARG 38 -9.692 -12.350 9.710 1080 2HG ARG 38 1HG ARG 38 -9.329 -10.659 10.056 1081 1HD ARG 38 2HD ARG 38 -10.322 -12.361 12.315 1082 2HD ARG 38 1HD ARG 38 -8.638 -12.557 11.789 1083 HE ARG 38 HE ARG 38 -9.765 -10.164 13.046 1084 1HH1 ARG 38 1HH2 ARG 38 -8.689 -8.629 11.031 1085 2HH1 ARG 38 2HH2 ARG 38 -6.974 -8.607 11.273 1086 1HH2 ARG 38 2HH1 ARG 38 -6.963 -11.378 13.356 1087 2HH2 ARG 38 1HH1 ARG 38 -5.997 -10.161 12.591 1088 H ILE 39 H ILE 39 -13.152 -10.843 8.010 1089 HA ILE 39 HA ILE 39 -15.734 -10.327 9.088 1090 HB ILE 39 HB ILE 39 -14.655 -10.407 6.254 1091 1HG1 ILE 39 2HG1 ILE 39 -14.801 -8.372 8.458 1092 2HG1 ILE 39 1HG1 ILE 39 -13.477 -8.722 7.350 1093 1HG2 ILE 39 2HG2 ILE 39 -17.292 -10.485 6.802 1094 2HG2 ILE 39 1HG2 ILE 39 -17.025 -8.751 6.975 1095 3HG2 ILE 39 3HG2 ILE 39 -16.637 -9.555 5.455 1096 1HD1 ILE 39 1HD1 ILE 39 -15.155 -7.846 5.523 1097 2HD1 ILE 39 3HD1 ILE 39 -15.937 -7.065 6.893 1098 3HD1 ILE 39 2HD1 ILE 39 -14.260 -6.692 6.508 1099 H GLU 40 H GLU 40 -14.556 -12.875 6.909 1100 HA GLU 40 HA GLU 40 -17.109 -14.090 6.394 1101 1HB GLU 40 2HB GLU 40 -14.308 -15.269 6.531 1102 2HB GLU 40 1HB GLU 40 -15.687 -15.997 5.706 1103 1HG GLU 40 2HG GLU 40 -15.254 -13.219 4.904 1104 2HG GLU 40 1HG GLU 40 -13.857 -14.243 4.561 1105 H ALA 41 H ALA 41 -14.700 -14.367 8.960 1106 HA ALA 41 HA ALA 41 -15.677 -16.647 10.336 1107 1HB ALA 41 2HB ALA 41 -13.743 -14.695 10.666 1108 2HB ALA 41 1HB ALA 41 -14.848 -14.359 11.999 1109 3HB ALA 41 3HB ALA 41 -14.110 -15.953 11.847 1110 H LEU 42 H LEU 42 -16.720 -13.264 10.344 1111 HA LEU 42 HA LEU 42 -18.787 -13.647 12.374 1112 1HB LEU 42 2HB LEU 42 -18.120 -11.490 10.345 1113 2HB LEU 42 1HB LEU 42 -19.440 -11.335 11.492 1114 HG LEU 42 HG LEU 42 -17.922 -10.420 12.893 1115 1HD1 LEU 42 3HD1 LEU 42 -16.773 -13.228 12.921 1116 2HD1 LEU 42 2HD1 LEU 42 -16.411 -11.979 14.112 1117 3HD1 LEU 42 1HD1 LEU 42 -18.051 -12.613 13.969 1118 1HD2 LEU 42 2HD2 LEU 42 -16.125 -11.320 10.734 1119 2HD2 LEU 42 1HD2 LEU 42 -16.221 -9.756 11.542 1120 3HD2 LEU 42 3HD2 LEU 42 -15.350 -11.090 12.301 1121 H GLU 43 H GLU 43 -18.562 -13.742 8.858 1122 HA GLU 43 HA GLU 43 -21.400 -13.761 8.310 1123 1HB GLU 43 2HB GLU 43 -19.001 -14.835 6.787 1124 2HB GLU 43 1HB GLU 43 -20.593 -14.529 6.093 1125 1HG GLU 43 2HG GLU 43 -19.974 -12.159 7.410 1126 2HG GLU 43 1HG GLU 43 -18.445 -12.653 6.681 1127 H ASN 44 H ASN 44 -19.190 -16.071 9.553 1128 HA ASN 44 HA ASN 44 -20.559 -18.481 8.662 1129 1HB ASN 44 2HB ASN 44 -18.654 -17.913 10.966 1130 2HB ASN 44 1HB ASN 44 -19.058 -19.515 10.352 1131 1HD2 ASN 44 2HD2 ASN 44 -17.489 -18.309 7.068 1132 2HD2 ASN 44 1HD2 ASN 44 -19.117 -18.510 7.498 1133 H LYS 45 H LYS 45 -20.961 -16.153 11.211 1134 HA LYS 45 HA LYS 45 -22.982 -17.910 12.555 1135 1HB LYS 45 2HB LYS 45 -21.207 -15.622 13.410 1136 2HB LYS 45 1HB LYS 45 -22.629 -16.056 14.361 1137 1HG LYS 45 2HG LYS 45 -20.599 -17.211 15.186 1138 2HG LYS 45 1HG LYS 45 -21.797 -18.358 14.584 1139 1HD LYS 45 2HD LYS 45 -20.553 -18.885 12.702 1140 2HD LYS 45 1HD LYS 45 -19.741 -17.319 12.672 1141 1HE LYS 45 2HE LYS 45 -18.081 -18.905 13.392 1142 2HE LYS 45 1HE LYS 45 -18.595 -18.054 14.863 1143 1HZ LYS 45 1HZ LYS 45 -20.188 -20.354 14.045 1144 2HZ LYS 45 3HZ LYS 45 -18.647 -20.694 14.665 1145 3HZ LYS 45 2HZ LYS 45 -19.766 -19.826 15.605 1146 H ILE 46 H ILE 46 -22.554 -15.124 10.576 1147 HA ILE 46 HA ILE 46 -25.180 -13.956 11.334 1148 HB ILE 46 HB ILE 46 -22.948 -13.163 9.430 1149 1HG1 ILE 46 2HG1 ILE 46 -22.076 -12.385 11.394 1150 2HG1 ILE 46 1HG1 ILE 46 -23.261 -11.100 11.207 1151 1HG2 ILE 46 2HG2 ILE 46 -25.699 -12.403 9.395 1152 2HG2 ILE 46 1HG2 ILE 46 -24.759 -11.016 9.944 1153 3HG2 ILE 46 3HG2 ILE 46 -24.381 -11.780 8.402 1154 1HD1 ILE 46 3HD1 ILE 46 -24.874 -12.426 12.568 1155 2HD1 ILE 46 2HD1 ILE 46 -23.626 -13.648 12.813 1156 3HD1 ILE 46 1HD1 ILE 46 -23.410 -12.023 13.464 1157 H ILE 47 HN ILE 47 -23.731 -16.070 9.012 1158 HA ILE 47 HA ILE 47 -25.513 -15.660 6.786 1159 HB ILE 47 HB ILE 47 -23.348 -16.842 6.688 1160 1HG1 ILE 47 2HG1 ILE 47 -25.422 -18.939 6.102 1161 2HG1 ILE 47 1HG1 ILE 47 -25.437 -17.421 5.203 1162 1HG2 ILE 47 3HG2 ILE 47 -24.632 -18.388 8.836 1163 2HG2 ILE 47 2HG2 ILE 47 -23.842 -19.392 7.620 1164 3HG2 ILE 47 1HG2 ILE 47 -22.919 -18.163 8.485 1165 1HD1 ILE 47 1HD1 ILE 47 -22.989 -17.807 4.692 1166 2HD1 ILE 47 3HD1 ILE 47 -23.170 -19.419 5.386 1167 3HD1 ILE 47 2HD1 ILE 47 -24.087 -18.970 3.948 No H/Q in entry = 1167 Start of MODEL 20 1 1H GLY 1 1H GLY 1 34.551 -2.617 -8.335 2 2H GLY 1 3H GLY 1 35.566 -3.676 -7.483 3 3H GLY 1 2H GLY 1 36.200 -2.715 -8.733 4 1HA GLY 1 2HA GLY 1 35.202 -3.953 -10.398 5 2HA GLY 1 1HA GLY 1 35.732 -5.166 -9.232 6 H SER 2 H SER 2 32.906 -2.994 -9.634 7 HA SER 2 HA SER 2 31.123 -5.363 -9.425 8 1HB SER 2 2HB SER 2 29.974 -4.454 -7.514 9 2HB SER 2 1HB SER 2 31.693 -4.396 -7.138 10 HG SER 2 HG SER 2 31.661 -2.206 -7.863 11 H HIS 3 H HIS 3 28.701 -4.208 -9.360 12 HA HIS 3 HA HIS 3 27.127 -3.159 -10.780 13 1HB HIS 3 2HB HIS 3 29.131 -1.291 -9.792 14 2HB HIS 3 1HB HIS 3 28.438 -0.740 -11.319 15 HD1 HIS 3 HD1 HIS 3 27.242 -2.063 -7.947 16 HD2 HIS 3 HD2 HIS 3 25.943 0.427 -11.027 17 HE1 HIS 3 HE1 HIS 3 25.036 -1.078 -7.187 18 H MET 4 H MET 4 27.568 -1.330 -12.906 19 HA MET 4 HA MET 4 29.319 -2.832 -14.813 20 1HB MET 4 2HB MET 4 26.613 -3.188 -14.640 21 2HB MET 4 1HB MET 4 26.702 -1.880 -15.821 22 1HG MET 4 2HG MET 4 27.322 -3.342 -17.412 23 2HG MET 4 1HG MET 4 28.732 -3.797 -16.455 24 1HE MET 4 1HE MET 4 28.890 -5.843 -17.327 25 2HE MET 4 3HE MET 4 28.969 -6.436 -15.663 26 3HE MET 4 2HE MET 4 28.003 -7.293 -16.862 27 H GLU 5 H GLU 5 28.475 -1.297 -17.083 28 HA GLU 5 HA GLU 5 29.656 1.352 -16.358 29 1HB GLU 5 2HB GLU 5 30.410 -0.491 -18.193 30 2HB GLU 5 1HB GLU 5 29.315 0.478 -19.180 31 1HG GLU 5 2HG GLU 5 31.045 1.902 -19.466 32 2HG GLU 5 1HG GLU 5 30.789 2.382 -17.788 33 H GLU 6 H GLU 6 26.657 0.210 -16.500 34 HA GLU 6 HA GLU 6 25.564 2.763 -17.544 35 1HB GLU 6 2HB GLU 6 24.032 1.513 -19.049 36 2HB GLU 6 1HB GLU 6 25.724 1.242 -19.473 37 1HG GLU 6 2HG GLU 6 25.628 -0.837 -17.999 38 2HG GLU 6 1HG GLU 6 23.879 -0.615 -17.957 39 H ASP 7 H ASP 7 23.059 2.711 -17.204 40 HA ASP 7 HA ASP 7 21.295 2.585 -15.637 41 1HB ASP 7 2HB ASP 7 21.383 0.283 -16.581 42 2HB ASP 7 1HB ASP 7 22.515 -0.176 -15.308 43 HA PRO 8 HA PRO 8 24.331 3.061 -12.120 44 1HB PRO 8 2HB PRO 8 24.329 5.789 -11.979 45 2HB PRO 8 1HB PRO 8 25.458 4.876 -12.997 46 1HG PRO 8 2HG PRO 8 23.036 6.395 -13.755 47 2HG PRO 8 1HG PRO 8 24.526 6.112 -14.662 48 1HD PRO 8 2HD PRO 8 22.108 4.788 -15.058 49 2HD PRO 8 1HD PRO 8 23.696 4.246 -15.642 50 H CYS 9 H CYS 9 21.860 5.623 -12.548 51 HA CYS 9 HA CYS 9 20.819 5.030 -9.825 52 1HB CYS 9 2HB CYS 9 20.816 7.300 -11.770 53 2HB CYS 9 1HB CYS 9 19.456 7.196 -10.648 54 H GLU 10 H GLU 10 20.260 3.308 -12.289 55 HA GLU 10 HA GLU 10 18.391 2.374 -13.418 56 1HB GLU 10 2HB GLU 10 17.711 2.859 -10.528 57 2HB GLU 10 1HB GLU 10 16.520 2.109 -11.589 58 1HG GLU 10 2HG GLU 10 17.573 0.141 -11.298 59 2HG GLU 10 1HG GLU 10 18.981 0.817 -12.119 60 H CYS 11 H CYS 11 18.500 4.907 -14.343 61 HA CYS 11 HA CYS 11 16.672 6.871 -13.819 62 1HB CYS 11 2HB CYS 11 17.784 5.645 -16.293 63 2HB CYS 11 1HB CYS 11 16.465 6.800 -16.496 64 H LYS 12 H LYS 12 15.902 3.799 -15.426 65 HA LYS 12 HA LYS 12 12.996 4.498 -15.120 66 1HB LYS 12 2HB LYS 12 14.197 2.649 -17.190 67 2HB LYS 12 1HB LYS 12 12.627 3.451 -17.227 68 1HG LYS 12 2HG LYS 12 15.332 4.808 -17.420 69 2HG LYS 12 1HG LYS 12 14.174 4.605 -18.735 70 1HD LYS 12 2HD LYS 12 12.767 5.787 -16.569 71 2HD LYS 12 1HD LYS 12 14.277 6.680 -16.751 72 1HE LYS 12 2HE LYS 12 13.694 7.505 -18.816 73 2HE LYS 12 1HE LYS 12 12.836 6.021 -19.272 74 1HZ LYS 12 2HZ LYS 12 11.650 7.282 -17.001 75 2HZ LYS 12 1HZ LYS 12 11.680 8.328 -18.338 76 3HZ LYS 12 3HZ LYS 12 10.931 6.813 -18.467 77 H SER 13 H SER 13 15.443 2.471 -14.042 78 HA SER 13 HA SER 13 13.900 -0.018 -13.847 79 1HB SER 13 2HB SER 13 16.576 1.053 -13.122 80 2HB SER 13 1HB SER 13 16.016 -0.329 -12.190 81 HG SER 13 HG SER 13 17.187 -0.781 -14.204 82 H ILE 14 H ILE 14 14.689 2.686 -11.727 83 HA ILE 14 HA ILE 14 13.518 1.507 -9.318 84 HB ILE 14 HB ILE 14 14.516 4.226 -10.195 85 1HG1 ILE 14 2HG1 ILE 14 15.558 2.456 -7.998 86 2HG1 ILE 14 1HG1 ILE 14 16.045 2.214 -9.674 87 1HG2 ILE 14 3HG2 ILE 14 12.677 4.530 -8.557 88 2HG2 ILE 14 2HG2 ILE 14 13.502 3.438 -7.445 89 3HG2 ILE 14 1HG2 ILE 14 14.240 4.982 -7.875 90 1HD1 ILE 14 1HD1 ILE 14 16.701 4.635 -9.767 91 2HD1 ILE 14 3HD1 ILE 14 16.383 4.739 -8.036 92 3HD1 ILE 14 2HD1 ILE 14 17.666 3.687 -8.635 93 H VAL 15 H VAL 15 12.625 3.834 -11.797 94 HA VAL 15 HA VAL 15 10.030 4.453 -10.581 95 HB VAL 15 HB VAL 15 10.477 5.076 -13.448 96 1HG1 VAL 15 2HG1 VAL 15 9.686 6.515 -10.919 97 2HG1 VAL 15 1HG1 VAL 15 10.070 7.424 -12.382 98 3HG1 VAL 15 3HG1 VAL 15 8.740 6.264 -12.386 99 1HG2 VAL 15 3HG2 VAL 15 12.448 5.892 -11.308 100 2HG2 VAL 15 2HG2 VAL 15 12.783 5.304 -12.935 101 3HG2 VAL 15 1HG2 VAL 15 12.148 6.931 -12.700 102 H LYS 16 H LYS 16 11.392 2.056 -12.620 103 HA LYS 16 HA LYS 16 8.952 1.242 -13.999 104 1HB LYS 16 2HB LYS 16 10.927 0.521 -15.039 105 2HB LYS 16 1HB LYS 16 11.731 0.194 -13.506 106 1HG LYS 16 2HG LYS 16 11.046 -1.857 -14.869 107 2HG LYS 16 1HG LYS 16 10.507 -1.835 -13.189 108 1HD LYS 16 2HD LYS 16 8.354 -1.910 -13.833 109 2HD LYS 16 1HD LYS 16 8.572 -0.479 -14.842 110 1HE LYS 16 2HE LYS 16 9.699 -3.036 -15.893 111 2HE LYS 16 1HE LYS 16 7.932 -2.861 -15.909 112 1HZ LYS 16 3HZ LYS 16 8.547 -0.472 -16.738 113 2HZ LYS 16 2HZ LYS 16 9.971 -1.238 -17.258 114 3HZ LYS 16 1HZ LYS 16 8.461 -1.766 -17.831 115 H PHE 17 H PHE 17 10.758 0.287 -11.095 116 HA PHE 17 HA PHE 17 8.906 -1.798 -10.280 117 1HB PHE 17 2HB PHE 17 11.004 -1.983 -9.289 118 2HB PHE 17 1HB PHE 17 11.209 -0.237 -9.165 119 HD1 PHE 17 HD2 PHE 17 10.083 1.036 -7.359 120 HD2 PHE 17 HD1 PHE 17 9.938 -3.253 -7.533 121 HE1 PHE 17 HE2 PHE 17 9.330 0.968 -4.999 122 HE2 PHE 17 HE1 PHE 17 9.182 -3.322 -5.173 123 HZ PHE 17 HZ PHE 17 8.879 -1.212 -3.905 124 H GLN 18 H GLN 18 9.156 1.687 -9.831 125 HA GLN 18 HA GLN 18 7.322 2.074 -7.693 126 1HB GLN 18 2HB GLN 18 8.299 3.635 -10.063 127 2HB GLN 18 1HB GLN 18 6.993 4.304 -9.083 128 1HG GLN 18 2HG GLN 18 8.543 3.722 -7.064 129 2HG GLN 18 1HG GLN 18 9.823 3.677 -8.277 130 1HE2 GLN 18 2HE2 GLN 18 8.571 7.264 -9.056 131 2HE2 GLN 18 1HE2 GLN 18 8.183 5.815 -9.849 132 H THR 19 H THR 19 6.750 1.847 -11.203 133 HA THR 19 HA THR 19 3.955 2.372 -11.214 134 HB THR 19 HB THR 19 5.829 0.691 -12.893 135 HG1 THR 19 HG1 THR 19 5.718 3.101 -12.816 136 1HG2 THR 19 1HG2 THR 19 2.850 0.971 -13.064 137 2HG2 THR 19 3HG2 THR 19 3.789 0.856 -14.552 138 3HG2 THR 19 2HG2 THR 19 3.854 -0.446 -13.365 139 H LYS 20 H LYS 20 5.774 -0.588 -10.486 140 HA LYS 20 HA LYS 20 3.483 -2.350 -10.369 141 1HB LYS 20 2HB LYS 20 6.306 -2.341 -9.277 142 2HB LYS 20 1HB LYS 20 5.196 -3.666 -8.919 143 1HG LYS 20 2HG LYS 20 4.810 -3.814 -11.454 144 2HG LYS 20 1HG LYS 20 6.226 -2.776 -11.619 145 1HD LYS 20 2HD LYS 20 7.590 -4.401 -10.387 146 2HD LYS 20 1HD LYS 20 6.177 -5.431 -10.154 147 1HE LYS 20 2HE LYS 20 5.959 -5.544 -12.685 148 2HE LYS 20 1HE LYS 20 7.549 -4.758 -12.776 149 1HZ LYS 20 1HZ LYS 20 8.130 -6.565 -10.996 150 2HZ LYS 20 3HZ LYS 20 6.843 -7.401 -11.717 151 3HZ LYS 20 2HZ LYS 20 8.184 -6.937 -12.652 152 H VAL 21 H VAL 21 5.072 -0.146 -8.171 153 HA VAL 21 HA VAL 21 3.595 -0.957 -5.780 154 HB VAL 21 HB VAL 21 5.495 1.205 -6.660 155 1HG1 VAL 21 3HG1 VAL 21 3.698 2.273 -5.249 156 2HG1 VAL 21 2HG1 VAL 21 4.136 1.160 -3.953 157 3HG1 VAL 21 1HG1 VAL 21 5.309 2.340 -4.535 158 1HG2 VAL 21 3HG2 VAL 21 5.491 -1.210 -4.966 159 2HG2 VAL 21 2HG2 VAL 21 6.816 -0.465 -5.859 160 3HG2 VAL 21 1HG2 VAL 21 6.358 0.162 -4.276 161 H GLU 22 H GLU 22 3.038 1.020 -8.549 162 HA GLU 22 HA GLU 22 1.097 2.840 -7.351 163 1HB GLU 22 2HB GLU 22 2.209 2.143 -10.034 164 2HB GLU 22 1HB GLU 22 0.657 2.975 -10.007 165 1HG GLU 22 2HG GLU 22 2.193 4.356 -8.130 166 2HG GLU 22 1HG GLU 22 3.320 4.022 -9.446 167 H GLU 23 H GLU 23 0.905 -0.099 -9.387 168 HA GLU 23 HA GLU 23 -2.022 -0.138 -9.316 169 1HB GLU 23 2HB GLU 23 -0.085 -2.343 -10.078 170 2HB GLU 23 1HB GLU 23 -1.729 -2.104 -10.673 171 1HG GLU 23 2HG GLU 23 -0.357 0.310 -11.195 172 2HG GLU 23 1HG GLU 23 0.735 -0.987 -11.680 173 H LEU 24 H LEU 24 0.631 -1.769 -7.621 174 HA LEU 24 HA LEU 24 -0.976 -3.718 -6.245 175 1HB LEU 24 2HB LEU 24 1.629 -3.350 -6.617 176 2HB LEU 24 1HB LEU 24 1.505 -2.495 -5.080 177 HG LEU 24 HG LEU 24 2.048 -4.824 -4.640 178 1HD1 LEU 24 3HD1 LEU 24 0.218 -3.496 -3.309 179 2HD1 LEU 24 2HD1 LEU 24 -0.893 -4.654 -4.042 180 3HD1 LEU 24 1HD1 LEU 24 0.421 -5.223 -3.012 181 1HD2 LEU 24 1HD2 LEU 24 0.761 -5.425 -6.919 182 2HD2 LEU 24 3HD2 LEU 24 1.008 -6.620 -5.645 183 3HD2 LEU 24 2HD2 LEU 24 -0.538 -5.782 -5.781 184 H ILE 25 H ILE 25 0.241 -0.494 -5.274 185 HA ILE 25 HA ILE 25 -0.950 -0.445 -2.680 186 HB ILE 25 HB ILE 25 0.803 1.060 -3.935 187 1HG1 ILE 25 2HG1 ILE 25 -0.689 2.953 -2.367 188 2HG1 ILE 25 1HG1 ILE 25 -0.780 1.364 -1.605 189 1HG2 ILE 25 2HG2 ILE 25 -1.806 2.487 -4.516 190 2HG2 ILE 25 1HG2 ILE 25 -0.209 3.221 -4.673 191 3HG2 ILE 25 3HG2 ILE 25 -0.662 1.863 -5.702 192 1HD1 ILE 25 1HD1 ILE 25 1.881 1.601 -2.456 193 2HD1 ILE 25 3HD1 ILE 25 1.478 3.179 -1.780 194 3HD1 ILE 25 2HD1 ILE 25 1.292 1.726 -0.799 195 H ASN 26 H ASN 26 -2.162 0.672 -5.856 196 HA ASN 26 HA ASN 26 -4.640 1.772 -4.965 197 1HB ASN 26 2HB ASN 26 -3.362 1.669 -7.283 198 2HB ASN 26 1HB ASN 26 -4.363 0.239 -7.535 199 1HD2 ASN 26 2HD2 ASN 26 -6.297 3.163 -8.803 200 2HD2 ASN 26 1HD2 ASN 26 -4.832 2.411 -9.214 201 H THR 27 H THR 27 -3.681 -1.515 -5.827 202 HA THR 27 HA THR 27 -6.264 -2.757 -5.654 203 HB THR 27 HB THR 27 -3.390 -3.662 -5.357 204 HG1 THR 27 HG1 THR 27 -5.080 -4.491 -7.394 205 1HG2 THR 27 3HG2 THR 27 -5.948 -5.258 -5.231 206 2HG2 THR 27 2HG2 THR 27 -4.435 -5.986 -5.773 207 3HG2 THR 27 1HG2 THR 27 -4.560 -5.322 -4.144 208 H LEU 28 H LEU 28 -3.789 -1.955 -3.255 209 HA LEU 28 HA LEU 28 -4.896 -3.527 -1.089 210 1HB LEU 28 2HB LEU 28 -3.030 -1.163 -1.369 211 2HB LEU 28 1HB LEU 28 -3.483 -1.772 0.222 212 HG LEU 28 HG LEU 28 -2.626 -3.821 -1.741 213 1HD1 LEU 28 2HD1 LEU 28 -0.838 -1.622 -0.728 214 2HD1 LEU 28 1HD1 LEU 28 -0.186 -3.237 -1.004 215 3HD1 LEU 28 3HD1 LEU 28 -0.909 -2.337 -2.338 216 1HD2 LEU 28 3HD2 LEU 28 -2.853 -3.430 1.116 217 2HD2 LEU 28 2HD2 LEU 28 -2.583 -4.929 0.225 218 3HD2 LEU 28 1HD2 LEU 28 -1.212 -3.932 0.708 219 H GLN 29 H GLN 29 -5.209 -0.111 -2.073 220 HA GLN 29 HA GLN 29 -7.024 0.645 0.038 221 1HB GLN 29 2HB GLN 29 -5.506 1.947 -1.716 222 2HB GLN 29 1HB GLN 29 -6.977 1.904 -2.685 223 1HG GLN 29 2HG GLN 29 -7.090 2.798 0.186 224 2HG GLN 29 1HG GLN 29 -6.593 3.926 -1.075 225 1HE2 GLN 29 2HE2 GLN 29 -9.853 3.752 -2.725 226 2HE2 GLN 29 1HE2 GLN 29 -8.206 3.722 -3.134 227 H GLN 30 H GLN 30 -7.330 -1.166 -2.863 228 HA GLN 30 HA GLN 30 -10.169 -0.670 -3.349 229 1HB GLN 30 2HB GLN 30 -8.044 -2.594 -4.305 230 2HB GLN 30 1HB GLN 30 -9.718 -2.756 -4.833 231 1HG GLN 30 2HG GLN 30 -8.867 0.000 -5.017 232 2HG GLN 30 1HG GLN 30 -7.767 -1.045 -5.913 233 1HE2 GLN 30 2HE2 GLN 30 -11.723 -0.978 -7.063 234 2HE2 GLN 30 1HE2 GLN 30 -11.332 -0.666 -5.440 235 H LYS 31 H LYS 31 -8.274 -3.454 -2.140 236 HA LYS 31 HA LYS 31 -10.575 -4.987 -1.308 237 1HB LYS 31 2HB LYS 31 -7.619 -5.031 -1.086 238 2HB LYS 31 1HB LYS 31 -8.472 -5.877 0.207 239 1HG LYS 31 2HG LYS 31 -9.606 -7.301 -1.344 240 2HG LYS 31 1HG LYS 31 -9.108 -6.315 -2.719 241 1HD LYS 31 2HD LYS 31 -6.697 -6.878 -2.059 242 2HD LYS 31 1HD LYS 31 -7.386 -8.105 -0.994 243 1HE LYS 31 2HE LYS 31 -7.112 -9.381 -2.920 244 2HE LYS 31 1HE LYS 31 -8.730 -8.727 -3.244 245 1HZ LYS 31 3HZ LYS 31 -7.532 -6.756 -4.236 246 2HZ LYS 31 2HZ LYS 31 -6.120 -7.701 -4.203 247 3HZ LYS 31 1HZ LYS 31 -7.454 -8.193 -5.132 248 H LEU 32 H LEU 32 -8.927 -2.265 -0.008 249 HA LEU 32 HA LEU 32 -9.671 -2.691 2.793 250 1HB LEU 32 2HB LEU 32 -7.719 -1.346 1.619 251 2HB LEU 32 1HB LEU 32 -8.923 -0.061 1.545 252 HG LEU 32 HG LEU 32 -9.219 -0.118 3.951 253 1HD1 LEU 32 1HD1 LEU 32 -7.453 -2.555 3.737 254 2HD1 LEU 32 3HD1 LEU 32 -7.590 -1.661 5.249 255 3HD1 LEU 32 2HD1 LEU 32 -9.019 -2.403 4.532 256 1HD2 LEU 32 1HD2 LEU 32 -6.454 0.070 2.819 257 2HD2 LEU 32 3HD2 LEU 32 -7.455 1.331 3.541 258 3HD2 LEU 32 2HD2 LEU 32 -6.641 0.153 4.571 259 H GLU 33 H GLU 33 -10.741 -0.567 0.117 260 HA GLU 33 HA GLU 33 -12.925 0.636 1.582 261 1HB GLU 33 2HB GLU 33 -11.816 1.598 -0.415 262 2HB GLU 33 1HB GLU 33 -12.410 0.254 -1.391 263 1HG GLU 33 2HG GLU 33 -14.281 1.444 -1.772 264 2HG GLU 33 1HG GLU 33 -14.671 1.275 -0.059 265 H ALA 34 H ALA 34 -12.457 -2.419 0.071 266 HA ALA 34 HA ALA 34 -15.350 -2.969 -0.258 267 1HB ALA 34 3HB ALA 34 -12.804 -3.957 -1.244 268 2HB ALA 34 2HB ALA 34 -13.758 -5.290 -0.594 269 3HB ALA 34 1HB ALA 34 -14.422 -4.272 -1.873 270 H VAL 35 H VAL 35 -12.607 -3.657 1.808 271 HA VAL 35 HA VAL 35 -13.770 -5.720 3.436 272 HB VAL 35 HB VAL 35 -11.488 -3.818 3.426 273 1HG1 VAL 35 3HG1 VAL 35 -12.465 -3.461 5.695 274 2HG1 VAL 35 2HG1 VAL 35 -12.318 -5.193 5.994 275 3HG1 VAL 35 1HG1 VAL 35 -10.872 -4.213 5.745 276 1HG2 VAL 35 2HG2 VAL 35 -11.820 -6.752 4.101 277 2HG2 VAL 35 1HG2 VAL 35 -11.262 -6.087 2.566 278 3HG2 VAL 35 3HG2 VAL 35 -10.271 -5.911 4.014 279 H ALA 36 H ALA 36 -13.750 -2.175 3.550 280 HA ALA 36 HA ALA 36 -15.086 -1.910 6.097 281 1HB ALA 36 3HB ALA 36 -14.790 -0.142 3.646 282 2HB ALA 36 2HB ALA 36 -15.480 0.418 5.170 283 3HB ALA 36 1HB ALA 36 -13.797 -0.106 5.102 284 H LYS 37 H LYS 37 -16.127 -2.461 2.788 285 HA LYS 37 HA LYS 37 -18.929 -1.787 3.220 286 1HB LYS 37 2HB LYS 37 -17.152 -2.613 1.106 287 2HB LYS 37 1HB LYS 37 -18.580 -3.649 1.091 288 1HG LYS 37 2HG LYS 37 -19.986 -1.935 0.521 289 2HG LYS 37 1HG LYS 37 -19.083 -0.745 1.460 290 1HD LYS 37 2HD LYS 37 -17.503 -0.410 -0.244 291 2HD LYS 37 1HD LYS 37 -17.886 -1.943 -1.029 292 1HE LYS 37 2HE LYS 37 -20.116 -1.051 -1.670 293 2HE LYS 37 1HE LYS 37 -19.687 0.504 -0.931 294 1HZ LYS 37 2HZ LYS 37 -17.816 -0.739 -2.823 295 2HZ LYS 37 1HZ LYS 37 -19.176 0.070 -3.440 296 3HZ LYS 37 3HZ LYS 37 -18.061 0.907 -2.474 297 H ARG 38 H ARG 38 -16.950 -4.697 3.480 298 HA ARG 38 HA ARG 38 -19.181 -6.526 3.823 299 1HB ARG 38 2HB ARG 38 -16.286 -6.772 4.695 300 2HB ARG 38 1HB ARG 38 -17.404 -8.091 4.356 301 1HG ARG 38 2HG ARG 38 -17.217 -6.251 2.108 302 2HG ARG 38 1HG ARG 38 -15.640 -6.915 2.537 303 1HD ARG 38 2HD ARG 38 -17.725 -8.964 2.601 304 2HD ARG 38 1HD ARG 38 -17.565 -8.216 0.999 305 HE ARG 38 HE ARG 38 -14.950 -8.586 1.707 306 1HH1 ARG 38 2HH1 ARG 38 -14.579 -10.693 3.189 307 2HH1 ARG 38 1HH1 ARG 38 -15.068 -12.121 2.338 308 1HH2 ARG 38 1HH2 ARG 38 -16.944 -10.401 -0.014 309 2HH2 ARG 38 2HH2 ARG 38 -16.402 -11.955 0.526 310 H ILE 39 H ILE 39 -16.988 -4.739 5.954 311 HA ILE 39 HA ILE 39 -17.783 -5.793 8.464 312 HB ILE 39 HB ILE 39 -16.769 -3.132 7.456 313 1HG1 ILE 39 2HG1 ILE 39 -15.392 -5.336 7.633 314 2HG1 ILE 39 1HG1 ILE 39 -14.686 -3.857 8.280 315 1HG2 ILE 39 3HG2 ILE 39 -18.200 -2.752 9.475 316 2HG2 ILE 39 2HG2 ILE 39 -17.173 -3.873 10.369 317 3HG2 ILE 39 1HG2 ILE 39 -16.501 -2.366 9.747 318 1HD1 ILE 39 3HD1 ILE 39 -16.356 -5.288 10.225 319 2HD1 ILE 39 2HD1 ILE 39 -14.967 -6.226 9.673 320 3HD1 ILE 39 1HD1 ILE 39 -14.725 -4.641 10.404 321 H GLU 40 H GLU 40 -19.090 -3.097 6.543 322 HA GLU 40 HA GLU 40 -21.183 -2.354 8.358 323 1HB GLU 40 2HB GLU 40 -21.101 -2.227 5.323 324 2HB GLU 40 1HB GLU 40 -22.062 -1.200 6.387 325 1HG GLU 40 2HG GLU 40 -19.242 -1.177 7.125 326 2HG GLU 40 1HG GLU 40 -19.487 -0.649 5.459 327 H ALA 41 H ALA 41 -20.890 -4.808 5.832 328 HA ALA 41 HA ALA 41 -23.618 -5.605 5.624 329 1HB ALA 41 1HB ALA 41 -21.196 -6.330 4.560 330 2HB ALA 41 3HB ALA 41 -21.540 -7.715 5.597 331 3HB ALA 41 2HB ALA 41 -22.682 -7.255 4.333 332 H LEU 42 H LEU 42 -21.101 -6.353 7.971 333 HA LEU 42 HA LEU 42 -22.748 -8.296 9.435 334 1HB LEU 42 2HB LEU 42 -20.064 -6.951 9.887 335 2HB LEU 42 1HB LEU 42 -20.736 -8.140 10.992 336 HG LEU 42 HG LEU 42 -19.611 -9.648 9.717 337 1HD1 LEU 42 1HD1 LEU 42 -21.975 -10.069 9.053 338 2HD1 LEU 42 3HD1 LEU 42 -21.749 -9.010 7.660 339 3HD1 LEU 42 2HD1 LEU 42 -20.833 -10.513 7.784 340 1HD2 LEU 42 1HD2 LEU 42 -19.076 -7.289 8.250 341 2HD2 LEU 42 3HD2 LEU 42 -18.202 -8.819 8.188 342 3HD2 LEU 42 2HD2 LEU 42 -19.539 -8.522 7.076 343 H GLU 43 H GLU 43 -22.015 -4.872 9.516 344 HA GLU 43 HA GLU 43 -22.927 -4.402 12.238 345 1HB GLU 43 2HB GLU 43 -22.602 -2.601 9.813 346 2HB GLU 43 1HB GLU 43 -22.794 -2.041 11.473 347 1HG GLU 43 2HG GLU 43 -20.736 -3.909 11.626 348 2HG GLU 43 1HG GLU 43 -20.413 -3.032 10.130 349 H ASN 44 H ASN 44 -24.396 -4.862 9.161 350 HA ASN 44 HA ASN 44 -26.910 -3.492 9.715 351 1HB ASN 44 2HB ASN 44 -25.747 -5.356 7.666 352 2HB ASN 44 1HB ASN 44 -27.496 -5.133 7.701 353 1HD2 ASN 44 2HD2 ASN 44 -27.146 -2.206 5.785 354 2HD2 ASN 44 1HD2 ASN 44 -27.958 -3.676 6.034 355 H LYS 45 H LYS 45 -25.461 -6.513 10.526 356 HA LYS 45 HA LYS 45 -28.104 -7.604 11.429 357 1HB LYS 45 2HB LYS 45 -25.692 -9.345 11.225 358 2HB LYS 45 1HB LYS 45 -27.360 -9.696 10.790 359 1HG LYS 45 2HG LYS 45 -25.313 -8.148 9.187 360 2HG LYS 45 1HG LYS 45 -26.147 -9.633 8.733 361 1HD LYS 45 2HD LYS 45 -28.104 -7.635 9.361 362 2HD LYS 45 1HD LYS 45 -26.950 -6.964 8.208 363 1HE LYS 45 2HE LYS 45 -27.259 -9.296 6.995 364 2HE LYS 45 1HE LYS 45 -28.801 -9.301 7.874 365 1HZ LYS 45 3HZ LYS 45 -27.786 -7.041 6.229 366 2HZ LYS 45 2HZ LYS 45 -28.972 -8.151 5.725 367 3HZ LYS 45 1HZ LYS 45 -29.281 -7.107 7.029 368 H ILE 46 H ILE 46 -25.127 -6.282 12.411 369 HA ILE 46 HA ILE 46 -25.226 -7.611 15.084 370 HB ILE 46 HB ILE 46 -23.184 -5.976 13.547 371 1HG1 ILE 46 2HG1 ILE 46 -22.974 -8.236 12.897 372 2HG1 ILE 46 1HG1 ILE 46 -21.804 -8.098 14.204 373 1HG2 ILE 46 1HG2 ILE 46 -23.494 -6.340 16.443 374 2HG2 ILE 46 3HG2 ILE 46 -21.909 -6.824 15.840 375 3HG2 ILE 46 2HG2 ILE 46 -22.500 -5.188 15.553 376 1HD1 ILE 46 2HD1 ILE 46 -23.785 -8.823 15.735 377 2HD1 ILE 46 1HD1 ILE 46 -24.514 -9.399 14.236 378 3HD1 ILE 46 3HD1 ILE 46 -22.964 -10.048 14.770 379 H ILE 47 HN ILE 47 -26.038 -4.711 13.425 380 HA ILE 47 HA ILE 47 -25.712 -2.754 15.484 381 HB ILE 47 HB ILE 47 -26.168 -2.218 13.154 382 1HG1 ILE 47 2HG1 ILE 47 -28.584 -1.027 13.721 383 2HG1 ILE 47 1HG1 ILE 47 -27.929 -1.313 15.334 384 1HG2 ILE 47 1HG2 ILE 47 -27.937 -4.346 13.290 385 2HG2 ILE 47 3HG2 ILE 47 -29.009 -2.950 13.185 386 3HG2 ILE 47 2HG2 ILE 47 -27.794 -3.225 11.937 387 1HD1 ILE 47 1HD1 ILE 47 -25.714 -0.382 14.044 388 2HD1 ILE 47 3HD1 ILE 47 -26.984 0.520 13.216 389 3HD1 ILE 47 2HD1 ILE 47 -26.815 0.640 14.967 390 1H GLY 1 1H GLY 1 16.224 10.070 -29.720 391 2H GLY 1 3H GLY 1 15.743 9.625 -31.284 392 3H GLY 1 2H GLY 1 17.108 10.613 -31.066 393 1HA GLY 1 2HA GLY 1 15.895 12.479 -30.610 394 2HA GLY 1 1HA GLY 1 14.845 11.658 -31.767 395 H SER 2 H SER 2 15.508 11.362 -28.253 396 HA SER 2 HA SER 2 12.617 11.793 -27.717 397 1HB SER 2 2HB SER 2 12.453 9.651 -26.553 398 2HB SER 2 1HB SER 2 13.024 9.366 -28.196 399 HG SER 2 HG SER 2 15.184 9.444 -27.261 400 H HIS 3 H HIS 3 12.434 11.348 -25.105 401 HA HIS 3 HA HIS 3 12.978 12.305 -23.008 402 1HB HIS 3 2HB HIS 3 15.223 10.851 -24.158 403 2HB HIS 3 1HB HIS 3 15.778 12.112 -23.056 404 HD1 HIS 3 HD1 HIS 3 13.083 9.396 -23.059 405 HD2 HIS 3 HD2 HIS 3 15.726 11.269 -20.435 406 HE1 HIS 3 HE1 HIS 3 12.795 8.255 -20.816 407 H MET 4 H MET 4 15.150 13.830 -22.177 408 HA MET 4 HA MET 4 15.235 16.129 -24.099 409 1HB MET 4 2HB MET 4 13.685 15.972 -21.814 410 2HB MET 4 1HB MET 4 15.130 16.804 -21.237 411 1HG MET 4 2HG MET 4 14.376 18.701 -22.180 412 2HG MET 4 1HG MET 4 14.503 17.932 -23.761 413 1HE MET 4 1HE MET 4 13.104 19.177 -24.715 414 2HE MET 4 3HE MET 4 11.875 18.032 -25.271 415 3HE MET 4 2HE MET 4 11.398 19.495 -24.414 416 H GLU 5 H GLU 5 16.716 17.789 -22.284 417 HA GLU 5 HA GLU 5 19.340 16.357 -22.329 418 1HB GLU 5 2HB GLU 5 18.547 18.704 -23.445 419 2HB GLU 5 1HB GLU 5 19.145 19.291 -21.893 420 1HG GLU 5 2HG GLU 5 21.218 19.191 -22.775 421 2HG GLU 5 1HG GLU 5 21.067 17.435 -22.717 422 H GLU 6 H GLU 6 16.981 16.788 -20.155 423 HA GLU 6 HA GLU 6 18.892 16.922 -17.880 424 1HB GLU 6 2HB GLU 6 17.461 18.657 -16.806 425 2HB GLU 6 1HB GLU 6 18.158 19.229 -18.323 426 1HG GLU 6 2HG GLU 6 15.985 18.407 -19.433 427 2HG GLU 6 1HG GLU 6 15.328 18.314 -17.798 428 H ASP 7 H ASP 7 17.482 16.578 -15.760 429 HA ASP 7 HA ASP 7 16.178 15.005 -14.565 430 1HB ASP 7 2HB ASP 7 14.524 16.623 -15.509 431 2HB ASP 7 1HB ASP 7 14.350 15.579 -16.921 432 HA PRO 8 HA PRO 8 17.155 11.657 -17.671 433 1HB PRO 8 2HB PRO 8 19.427 10.696 -16.499 434 2HB PRO 8 1HB PRO 8 19.441 12.000 -17.702 435 1HG PRO 8 2HG PRO 8 19.768 12.136 -14.767 436 2HG PRO 8 1HG PRO 8 20.447 13.168 -16.031 437 1HD PRO 8 2HD PRO 8 18.276 13.800 -14.402 438 2HD PRO 8 1HD PRO 8 18.716 14.620 -15.914 439 H CYS 9 H CYS 9 18.226 11.200 -14.278 440 HA CYS 9 HA CYS 9 16.591 8.713 -14.139 441 1HB CYS 9 2HB CYS 9 18.976 9.894 -12.778 442 2HB CYS 9 1HB CYS 9 17.980 8.777 -11.840 443 H GLU 10 H GLU 10 15.437 11.548 -13.924 444 HA GLU 10 HA GLU 10 14.036 12.782 -12.441 445 1HB GLU 10 2HB GLU 10 13.447 9.841 -12.201 446 2HB GLU 10 1HB GLU 10 12.507 11.000 -11.262 447 1HG GLU 10 2HG GLU 10 11.263 11.449 -13.082 448 2HG GLU 10 1HG GLU 10 12.709 12.004 -13.923 449 H CYS 11 H CYS 11 16.522 12.758 -11.360 450 HA CYS 11 HA CYS 11 17.172 11.532 -8.995 451 1HB CYS 11 2HB CYS 11 17.377 14.513 -9.504 452 2HB CYS 11 1HB CYS 11 18.452 13.537 -8.501 453 H LYS 12 H LYS 12 14.735 14.062 -9.403 454 HA LYS 12 HA LYS 12 13.963 13.641 -6.533 455 1HB LYS 12 2HB LYS 12 13.520 16.134 -8.191 456 2HB LYS 12 1HB LYS 12 13.437 15.974 -6.437 457 1HG LYS 12 2HG LYS 12 15.928 15.725 -8.149 458 2HG LYS 12 1HG LYS 12 15.546 17.041 -7.040 459 1HD LYS 12 2HD LYS 12 15.324 14.542 -5.637 460 2HD LYS 12 1HD LYS 12 16.890 14.614 -6.445 461 1HE LYS 12 2HE LYS 12 17.603 16.435 -5.202 462 2HE LYS 12 1HE LYS 12 15.955 17.058 -4.983 463 1HZ LYS 12 2HZ LYS 12 15.944 14.542 -3.863 464 2HZ LYS 12 1HZ LYS 12 17.408 15.230 -3.348 465 3HZ LYS 12 3HZ LYS 12 15.944 16.020 -3.025 466 H SER 13 H SER 13 13.031 13.273 -9.765 467 HA SER 13 HA SER 13 10.165 13.777 -9.431 468 1HB SER 13 2HB SER 13 12.071 12.832 -11.508 469 2HB SER 13 1HB SER 13 10.393 12.350 -11.711 470 HG SER 13 HG SER 13 11.074 14.449 -12.630 471 H ILE 14 H ILE 14 12.293 10.963 -9.350 472 HA ILE 14 HA ILE 14 10.152 8.982 -9.181 473 HB ILE 14 HB ILE 14 13.149 9.061 -8.791 474 1HG1 ILE 14 2HG1 ILE 14 11.551 7.463 -10.774 475 2HG1 ILE 14 1HG1 ILE 14 11.940 9.154 -11.077 476 1HG2 ILE 14 3HG2 ILE 14 12.202 7.373 -7.242 477 2HG2 ILE 14 2HG2 ILE 14 11.339 6.633 -8.589 478 3HG2 ILE 14 1HG2 ILE 14 13.102 6.614 -8.554 479 1HD1 ILE 14 1HD1 ILE 14 14.361 8.569 -10.591 480 2HD1 ILE 14 3HD1 ILE 14 13.877 6.876 -10.632 481 3HD1 ILE 14 2HD1 ILE 14 13.706 7.876 -12.074 482 H VAL 15 H VAL 15 12.364 10.614 -6.982 483 HA VAL 15 HA VAL 15 11.367 9.200 -4.617 484 HB VAL 15 HB VAL 15 12.841 11.748 -4.258 485 1HG1 VAL 15 2HG1 VAL 15 13.033 8.878 -3.370 486 2HG1 VAL 15 1HG1 VAL 15 14.369 9.989 -3.078 487 3HG1 VAL 15 3HG1 VAL 15 12.778 10.321 -2.392 488 1HG2 VAL 15 2HG2 VAL 15 13.824 9.609 -6.123 489 2HG2 VAL 15 1HG2 VAL 15 14.070 11.352 -6.200 490 3HG2 VAL 15 3HG2 VAL 15 14.982 10.384 -5.044 491 H LYS 16 H LYS 16 10.481 11.904 -6.530 492 HA LYS 16 HA LYS 16 9.011 13.399 -4.500 493 1HB LYS 16 2HB LYS 16 9.585 14.666 -6.389 494 2HB LYS 16 1HB LYS 16 9.302 13.324 -7.494 495 1HG LYS 16 2HG LYS 16 7.589 15.232 -7.557 496 2HG LYS 16 1HG LYS 16 6.939 13.600 -7.393 497 1HD LYS 16 2HD LYS 16 5.996 14.125 -5.420 498 2HD LYS 16 1HD LYS 16 7.549 14.669 -4.785 499 1HE LYS 16 2HE LYS 16 6.156 16.482 -6.712 500 2HE LYS 16 1HE LYS 16 5.509 16.376 -5.062 501 1HZ LYS 16 3HZ LYS 16 7.912 16.573 -4.325 502 2HZ LYS 16 2HZ LYS 16 8.260 17.078 -5.909 503 3HZ LYS 16 1HZ LYS 16 7.199 17.984 -4.939 504 H PHE 17 H PHE 17 8.309 10.959 -6.982 505 HA PHE 17 HA PHE 17 5.467 10.760 -6.388 506 1HB PHE 17 2HB PHE 17 6.015 9.973 -8.507 507 2HB PHE 17 1HB PHE 17 7.569 9.336 -7.974 508 HD1 PHE 17 HD2 PHE 17 7.609 7.239 -6.547 509 HD2 PHE 17 HD1 PHE 17 4.095 8.565 -8.631 510 HE1 PHE 17 HE2 PHE 17 6.633 4.973 -6.338 511 HE2 PHE 17 HE1 PHE 17 3.116 6.297 -8.422 512 HZ PHE 17 HZ PHE 17 4.384 4.500 -7.275 513 H GLN 18 H GLN 18 8.432 9.281 -5.194 514 HA GLN 18 HA GLN 18 7.350 7.043 -3.801 515 1HB GLN 18 2HB GLN 18 9.748 8.832 -3.576 516 2HB GLN 18 1HB GLN 18 9.446 7.659 -2.293 517 1HG GLN 18 2HG GLN 18 9.165 5.946 -4.228 518 2HG GLN 18 1HG GLN 18 9.993 7.153 -5.212 519 1HE2 GLN 18 2HE2 GLN 18 12.712 6.826 -2.458 520 2HE2 GLN 18 1HE2 GLN 18 11.481 7.987 -2.586 521 H THR 19 H THR 19 7.782 10.430 -2.800 522 HA THR 19 HA THR 19 6.946 10.210 -0.090 523 HB THR 19 HB THR 19 6.761 12.358 -2.216 524 HG1 THR 19 HG1 THR 19 8.725 11.470 -0.923 525 1HG2 THR 19 1HG2 THR 19 5.789 12.375 0.627 526 2HG2 THR 19 3HG2 THR 19 6.415 13.854 -0.103 527 3HG2 THR 19 2HG2 THR 19 5.019 13.042 -0.813 528 H LYS 20 H LYS 20 5.078 10.420 -3.099 529 HA LYS 20 HA LYS 20 2.489 10.771 -1.849 530 1HB LYS 20 2HB LYS 20 3.514 9.800 -4.528 531 2HB LYS 20 1HB LYS 20 1.787 9.860 -4.171 532 1HG LYS 20 2HG LYS 20 2.180 12.304 -3.480 533 2HG LYS 20 1HG LYS 20 3.748 12.157 -4.275 534 1HD LYS 20 2HD LYS 20 2.708 11.630 -6.387 535 2HD LYS 20 1HD LYS 20 1.119 11.508 -5.630 536 1HE LYS 20 2HE LYS 20 1.281 13.933 -4.997 537 2HE LYS 20 1HE LYS 20 2.798 14.026 -5.913 538 1HZ LYS 20 1HZ LYS 20 1.139 12.724 -7.611 539 2HZ LYS 20 3HZ LYS 20 0.089 13.839 -6.880 540 3HZ LYS 20 2HZ LYS 20 1.486 14.387 -7.675 541 H VAL 21 H VAL 21 4.552 8.069 -2.666 542 HA VAL 21 HA VAL 21 2.568 5.988 -2.122 543 HB VAL 21 HB VAL 21 5.516 6.228 -2.691 544 1HG1 VAL 21 3HG1 VAL 21 5.207 4.497 -0.888 545 2HG1 VAL 21 2HG1 VAL 21 4.133 3.628 -1.983 546 3HG1 VAL 21 1HG1 VAL 21 5.831 3.847 -2.403 547 1HG2 VAL 21 3HG2 VAL 21 3.051 5.172 -4.016 548 2HG2 VAL 21 2HG2 VAL 21 4.365 6.134 -4.696 549 3HG2 VAL 21 1HG2 VAL 21 4.590 4.407 -4.408 550 H GLU 22 H GLU 22 4.736 7.980 -0.317 551 HA GLU 22 HA GLU 22 5.064 6.253 1.997 552 1HB GLU 22 2HB GLU 22 5.623 9.062 1.149 553 2HB GLU 22 1HB GLU 22 5.618 8.736 2.881 554 1HG GLU 22 2HG GLU 22 7.046 6.597 1.813 555 2HG GLU 22 1HG GLU 22 7.588 7.980 0.864 556 H GLU 23 H GLU 23 2.961 9.055 1.238 557 HA GLU 23 HA GLU 23 1.554 8.851 3.798 558 1HB GLU 23 2HB GLU 23 0.792 10.363 1.282 559 2HB GLU 23 1HB GLU 23 0.334 10.749 2.941 560 1HG GLU 23 2HG GLU 23 3.135 10.620 2.981 561 2HG GLU 23 1HG GLU 23 2.742 11.481 1.492 562 H LEU 24 H LEU 24 0.995 7.840 0.444 563 HA LEU 24 HA LEU 24 -1.757 7.058 0.769 564 1HB LEU 24 2HB LEU 24 -0.162 7.401 -1.317 565 2HB LEU 24 1HB LEU 24 0.165 5.683 -1.087 566 HG LEU 24 HG LEU 24 -1.689 5.926 -2.647 567 1HD1 LEU 24 3HD1 LEU 24 -1.686 4.235 -0.607 568 2HD1 LEU 24 2HD1 LEU 24 -3.074 5.193 -0.092 569 3HD1 LEU 24 1HD1 LEU 24 -3.099 4.373 -1.653 570 1HD2 LEU 24 1HD2 LEU 24 -2.283 8.230 -1.484 571 2HD2 LEU 24 3HD2 LEU 24 -3.541 7.285 -2.282 572 3HD2 LEU 24 2HD2 LEU 24 -3.371 7.223 -0.527 573 H ILE 25 H ILE 25 1.309 5.221 0.968 574 HA ILE 25 HA ILE 25 0.145 2.683 1.583 575 HB ILE 25 HB ILE 25 2.562 3.505 0.927 576 1HG1 ILE 25 2HG1 ILE 25 3.100 1.371 2.754 577 2HG1 ILE 25 1HG1 ILE 25 1.492 1.124 2.069 578 1HG2 ILE 25 2HG2 ILE 25 2.695 3.468 3.954 579 2HG2 ILE 25 1HG2 ILE 25 4.094 3.527 2.880 580 3HG2 ILE 25 3HG2 ILE 25 2.951 4.870 2.917 581 1HD1 ILE 25 1HD1 ILE 25 3.034 1.960 -0.103 582 2HD1 ILE 25 3HD1 ILE 25 4.097 0.870 0.786 583 3HD1 ILE 25 2HD1 ILE 25 2.520 0.308 0.233 584 H ASN 26 H ASN 26 1.308 5.333 3.691 585 HA ASN 26 HA ASN 26 0.839 4.067 6.205 586 1HB ASN 26 2HB ASN 26 1.916 6.376 5.413 587 2HB ASN 26 1HB ASN 26 0.300 6.985 5.777 588 1HD2 ASN 26 2HD2 ASN 26 2.180 7.240 8.954 589 2HD2 ASN 26 1HD2 ASN 26 2.205 7.995 7.434 590 H THR 27 H THR 27 -1.280 5.901 4.051 591 HA THR 27 HA THR 27 -3.584 6.013 5.763 592 HB THR 27 HB THR 27 -3.085 6.103 2.778 593 HG1 THR 27 HG1 THR 27 -4.077 8.221 4.273 594 1HG2 THR 27 3HG2 THR 27 -5.660 6.311 4.329 595 2HG2 THR 27 2HG2 THR 27 -5.455 7.173 2.804 596 3HG2 THR 27 1HG2 THR 27 -5.334 5.415 2.847 597 H LEU 28 H LEU 28 -2.326 3.574 3.532 598 HA LEU 28 HA LEU 28 -4.709 1.930 3.449 599 1HB LEU 28 2HB LEU 28 -1.763 1.585 2.873 600 2HB LEU 28 1HB LEU 28 -2.868 0.215 2.748 601 HG LEU 28 HG LEU 28 -3.735 2.723 1.415 602 1HD1 LEU 28 2HD1 LEU 28 -1.329 1.103 0.582 603 2HD1 LEU 28 1HD1 LEU 28 -2.314 1.946 -0.614 604 3HD1 LEU 28 3HD1 LEU 28 -1.500 2.857 0.659 605 1HD2 LEU 28 3HD2 LEU 28 -4.254 -0.117 1.349 606 2HD2 LEU 28 2HD2 LEU 28 -5.162 1.187 0.584 607 3HD2 LEU 28 1HD2 LEU 28 -3.808 0.440 -0.263 608 H GLN 29 H GLN 29 -1.703 1.836 5.368 609 HA GLN 29 HA GLN 29 -2.427 -0.469 6.943 610 1HB GLN 29 2HB GLN 29 -0.172 0.852 6.464 611 2HB GLN 29 1HB GLN 29 -0.647 1.751 7.902 612 1HG GLN 29 2HG GLN 29 -0.647 -1.263 7.908 613 2HG GLN 29 1HG GLN 29 0.838 -0.364 8.215 614 1HE2 GLN 29 2HE2 GLN 29 -0.545 1.134 11.262 615 2HE2 GLN 29 1HE2 GLN 29 0.317 1.617 9.881 616 H GLN 30 H GLN 30 -3.380 2.827 6.922 617 HA GLN 30 HA GLN 30 -4.149 3.046 9.730 618 1HB GLN 30 2HB GLN 30 -4.576 4.598 7.173 619 2HB GLN 30 1HB GLN 30 -5.369 5.085 8.671 620 1HG GLN 30 2HG GLN 30 -2.576 4.510 9.151 621 2HG GLN 30 1HG GLN 30 -2.746 5.711 7.871 622 1HE2 GLN 30 2HE2 GLN 30 -4.302 6.633 11.576 623 2HE2 GLN 30 1HE2 GLN 30 -4.257 5.008 11.083 624 H LYS 31 H LYS 31 -5.949 2.784 6.649 625 HA LYS 31 HA LYS 31 -8.521 2.353 7.887 626 1HB LYS 31 2HB LYS 31 -7.255 2.300 5.217 627 2HB LYS 31 1HB LYS 31 -8.650 1.231 5.377 628 1HG LYS 31 2HG LYS 31 -10.084 3.026 6.015 629 2HG LYS 31 1HG LYS 31 -8.723 4.114 6.287 630 1HD LYS 31 2HD LYS 31 -8.188 3.760 3.782 631 2HD LYS 31 1HD LYS 31 -9.826 3.113 3.663 632 1HE LYS 31 2HE LYS 31 -10.293 5.347 3.249 633 2HE LYS 31 1HE LYS 31 -10.370 5.384 5.022 634 1HZ LYS 31 2HZ LYS 31 -7.906 5.844 3.423 635 2HZ LYS 31 1HZ LYS 31 -8.846 7.078 4.118 636 3HZ LYS 31 3HZ LYS 31 -8.049 5.958 5.112 637 H LEU 32 H LEU 32 -5.759 0.374 7.427 638 HA LEU 32 HA LEU 32 -7.163 -2.204 7.410 639 1HB LEU 32 2HB LEU 32 -4.825 -1.419 6.453 640 2HB LEU 32 1HB LEU 32 -4.264 -1.764 8.090 641 HG LEU 32 HG LEU 32 -5.046 -4.055 7.934 642 1HD1 LEU 32 1HD1 LEU 32 -6.302 -3.034 5.399 643 2HD1 LEU 32 3HD1 LEU 32 -5.895 -4.744 5.548 644 3HD1 LEU 32 2HD1 LEU 32 -7.025 -4.004 6.683 645 1HD2 LEU 32 1HD2 LEU 32 -3.319 -2.942 5.760 646 2HD2 LEU 32 3HD2 LEU 32 -2.901 -4.055 7.064 647 3HD2 LEU 32 2HD2 LEU 32 -3.784 -4.640 5.654 648 H GLU 33 H GLU 33 -5.205 -0.301 9.721 649 HA GLU 33 HA GLU 33 -5.551 -2.138 11.934 650 1HB GLU 33 2HB GLU 33 -3.711 -0.502 11.733 651 2HB GLU 33 1HB GLU 33 -4.874 0.823 11.798 652 1HG GLU 33 2HG GLU 33 -4.742 0.791 14.041 653 2HG GLU 33 1HG GLU 33 -5.411 -0.841 14.030 654 H ALA 34 H ALA 34 -7.568 0.200 10.435 655 HA ALA 34 HA ALA 34 -9.289 0.599 12.814 656 1HB ALA 34 3HB ALA 34 -8.820 1.801 10.167 657 2HB ALA 34 2HB ALA 34 -10.531 1.672 10.570 658 3HB ALA 34 1HB ALA 34 -9.437 2.555 11.637 659 H VAL 35 H VAL 35 -9.147 -1.051 9.722 660 HA VAL 35 HA VAL 35 -11.814 -2.084 9.608 661 HB VAL 35 HB VAL 35 -9.123 -2.585 8.427 662 1HG1 VAL 35 3HG1 VAL 35 -9.827 -4.874 9.026 663 2HG1 VAL 35 2HG1 VAL 35 -11.365 -4.612 8.202 664 3HG1 VAL 35 1HG1 VAL 35 -9.862 -4.631 7.280 665 1HG2 VAL 35 2HG2 VAL 35 -11.931 -2.298 7.325 666 2HG2 VAL 35 1HG2 VAL 35 -10.687 -1.048 7.367 667 3HG2 VAL 35 3HG2 VAL 35 -10.481 -2.463 6.334 668 H ALA 36 H ALA 36 -8.812 -3.242 11.124 669 HA ALA 36 HA ALA 36 -9.848 -5.798 11.984 670 1HB ALA 36 3HB ALA 36 -7.597 -3.977 12.894 671 2HB ALA 36 2HB ALA 36 -7.845 -5.594 13.551 672 3HB ALA 36 1HB ALA 36 -7.472 -5.386 11.839 673 H LYS 37 H LYS 37 -9.995 -2.520 13.219 674 HA LYS 37 HA LYS 37 -10.860 -3.224 15.912 675 1HB LYS 37 2HB LYS 37 -10.179 -0.915 14.334 676 2HB LYS 37 1HB LYS 37 -11.729 -0.624 15.125 677 1HG LYS 37 2HG LYS 37 -10.817 -0.640 17.223 678 2HG LYS 37 1HG LYS 37 -9.625 -1.873 16.806 679 1HD LYS 37 2HD LYS 37 -8.142 -0.318 15.883 680 2HD LYS 37 1HD LYS 37 -9.411 0.876 15.608 681 1HE LYS 37 2HE LYS 37 -9.629 1.156 18.092 682 2HE LYS 37 1HE LYS 37 -8.241 0.068 18.294 683 1HZ LYS 37 2HZ LYS 37 -8.111 2.369 16.447 684 2HZ LYS 37 1HZ LYS 37 -7.779 2.571 18.101 685 3HZ LYS 37 3HZ LYS 37 -6.834 1.512 17.171 686 H ARG 38 H ARG 38 -12.431 -2.552 12.832 687 HA ARG 38 HA ARG 38 -15.126 -2.406 13.908 688 1HB ARG 38 2HB ARG 38 -14.123 -3.024 11.108 689 2HB ARG 38 1HB ARG 38 -15.707 -2.379 11.540 690 1HG ARG 38 2HG ARG 38 -13.553 -0.771 12.661 691 2HG ARG 38 1HG ARG 38 -13.436 -0.880 10.904 692 1HD ARG 38 2HD ARG 38 -16.193 -0.457 11.827 693 2HD ARG 38 1HD ARG 38 -15.097 0.867 12.269 694 HE ARG 38 HE ARG 38 -14.373 0.381 9.676 695 1HH1 ARG 38 2HH1 ARG 38 -16.398 -0.445 8.234 696 2HH1 ARG 38 1HH1 ARG 38 -17.618 0.783 8.169 697 1HH2 ARG 38 1HH2 ARG 38 -16.383 2.525 10.902 698 2HH2 ARG 38 2HH2 ARG 38 -17.611 2.464 9.682 699 H ILE 39 H ILE 39 -13.068 -4.890 12.464 700 HA ILE 39 HA ILE 39 -14.961 -7.002 12.235 701 HB ILE 39 HB ILE 39 -11.983 -6.773 12.674 702 1HG1 ILE 39 2HG1 ILE 39 -13.266 -6.266 10.463 703 2HG1 ILE 39 1HG1 ILE 39 -11.831 -7.284 10.378 704 1HG2 ILE 39 3HG2 ILE 39 -12.727 -8.856 13.787 705 2HG2 ILE 39 2HG2 ILE 39 -13.541 -9.350 12.303 706 3HG2 ILE 39 1HG2 ILE 39 -11.784 -9.200 12.336 707 1HD1 ILE 39 3HD1 ILE 39 -14.323 -8.760 10.914 708 2HD1 ILE 39 2HD1 ILE 39 -14.280 -7.959 9.345 709 3HD1 ILE 39 1HD1 ILE 39 -13.026 -9.120 9.776 710 H GLU 40 H GLU 40 -12.887 -5.948 14.920 711 HA GLU 40 HA GLU 40 -13.658 -8.020 16.766 712 1HB GLU 40 2HB GLU 40 -12.756 -5.162 17.286 713 2HB GLU 40 1HB GLU 40 -12.613 -6.522 18.399 714 1HG GLU 40 2HG GLU 40 -11.435 -7.140 15.811 715 2HG GLU 40 1HG GLU 40 -10.697 -5.709 16.533 716 H ALA 41 H ALA 41 -14.992 -4.883 15.854 717 HA ALA 41 HA ALA 41 -16.899 -4.542 17.948 718 1HB ALA 41 1HB ALA 41 -16.171 -3.378 15.479 719 2HB ALA 41 3HB ALA 41 -17.881 -3.780 15.321 720 3HB ALA 41 2HB ALA 41 -17.338 -2.740 16.638 721 H LEU 42 H LEU 42 -16.896 -6.496 15.017 722 HA LEU 42 HA LEU 42 -19.669 -7.411 15.365 723 1HB LEU 42 2HB LEU 42 -17.362 -8.087 13.517 724 2HB LEU 42 1HB LEU 42 -18.923 -8.883 13.405 725 HG LEU 42 HG LEU 42 -19.431 -7.211 11.953 726 1HD1 LEU 42 1HD1 LEU 42 -20.779 -6.569 13.937 727 2HD1 LEU 42 3HD1 LEU 42 -19.475 -5.506 14.462 728 3HD1 LEU 42 2HD1 LEU 42 -20.337 -5.169 12.961 729 1HD2 LEU 42 1HD2 LEU 42 -16.849 -6.409 12.710 730 2HD2 LEU 42 3HD2 LEU 42 -17.779 -5.826 11.331 731 3HD2 LEU 42 2HD2 LEU 42 -17.853 -4.968 12.869 732 H GLU 43 H GLU 43 -16.423 -8.458 16.198 733 HA GLU 43 HA GLU 43 -17.106 -11.231 16.753 734 1HB GLU 43 2HB GLU 43 -14.843 -9.414 17.649 735 2HB GLU 43 1HB GLU 43 -14.855 -11.168 17.828 736 1HG GLU 43 2HG GLU 43 -15.527 -10.721 15.151 737 2HG GLU 43 1HG GLU 43 -14.235 -9.571 15.490 738 H ASN 44 H ASN 44 -17.457 -8.219 18.376 739 HA ASN 44 HA ASN 44 -17.613 -9.272 21.096 740 1HB ASN 44 2HB ASN 44 -18.182 -6.701 19.642 741 2HB ASN 44 1HB ASN 44 -18.774 -6.901 21.291 742 1HD2 ASN 44 2HD2 ASN 44 -15.628 -5.886 22.491 743 2HD2 ASN 44 1HD2 ASN 44 -17.315 -5.703 22.548 744 H LYS 45 H LYS 45 -19.673 -9.133 18.349 745 HA LYS 45 HA LYS 45 -22.076 -9.736 20.039 746 1HB LYS 45 2HB LYS 45 -22.313 -8.969 17.160 747 2HB LYS 45 1HB LYS 45 -23.336 -8.523 18.520 748 1HG LYS 45 2HG LYS 45 -20.671 -7.332 17.727 749 2HG LYS 45 1HG LYS 45 -22.225 -6.515 17.877 750 1HD LYS 45 2HD LYS 45 -21.607 -7.781 20.376 751 2HD LYS 45 1HD LYS 45 -20.220 -6.819 19.866 752 1HE LYS 45 2HE LYS 45 -22.078 -5.003 19.318 753 2HE LYS 45 1HE LYS 45 -23.000 -5.915 20.531 754 1HZ LYS 45 3HZ LYS 45 -20.183 -5.101 20.953 755 2HZ LYS 45 2HZ LYS 45 -21.487 -4.121 21.426 756 3HZ LYS 45 1HZ LYS 45 -21.291 -5.664 22.107 757 H ILE 46 H ILE 46 -19.809 -10.973 17.790 758 HA ILE 46 HA ILE 46 -21.639 -13.159 16.902 759 HB ILE 46 HB ILE 46 -18.897 -12.166 16.060 760 1HG1 ILE 46 2HG1 ILE 46 -20.493 -10.801 15.002 761 2HG1 ILE 46 1HG1 ILE 46 -20.233 -12.067 13.809 762 1HG2 ILE 46 1HG2 ILE 46 -20.078 -14.802 15.759 763 2HG2 ILE 46 3HG2 ILE 46 -19.776 -14.052 14.190 764 3HG2 ILE 46 2HG2 ILE 46 -18.455 -14.249 15.341 765 1HD1 ILE 46 2HD1 ILE 46 -22.210 -13.284 14.948 766 2HD1 ILE 46 1HD1 ILE 46 -22.563 -11.726 15.695 767 3HD1 ILE 46 3HD1 ILE 46 -22.583 -11.887 13.939 768 H ILE 47 HN ILE 47 -19.085 -12.433 19.112 769 HA ILE 47 HA ILE 47 -17.828 -14.984 19.386 770 HB ILE 47 HB ILE 47 -16.964 -12.914 20.346 771 1HG1 ILE 47 2HG1 ILE 47 -17.120 -13.812 22.921 772 2HG1 ILE 47 1HG1 ILE 47 -17.582 -15.265 22.033 773 1HG2 ILE 47 1HG2 ILE 47 -19.659 -12.554 21.115 774 2HG2 ILE 47 3HG2 ILE 47 -18.738 -12.669 22.614 775 3HG2 ILE 47 2HG2 ILE 47 -18.312 -11.454 21.408 776 1HD1 ILE 47 1HD1 ILE 47 -15.463 -14.412 20.543 777 2HD1 ILE 47 3HD1 ILE 47 -14.973 -13.875 22.151 778 3HD1 ILE 47 2HD1 ILE 47 -15.331 -15.578 21.860 779 1H GLY 1 1H GLY 1 23.974 25.881 -3.676 780 2H GLY 1 3H GLY 1 23.886 27.500 -3.176 781 3H GLY 1 2H GLY 1 25.247 26.950 -4.032 782 1HA GLY 1 2HA GLY 1 26.163 25.915 -2.248 783 2HA GLY 1 1HA GLY 1 25.293 27.215 -1.432 784 H SER 2 H SER 2 24.334 24.068 -2.855 785 HA SER 2 HA SER 2 23.282 23.245 -0.193 786 1HB SER 2 2HB SER 2 21.079 22.860 -1.117 787 2HB SER 2 1HB SER 2 21.545 24.506 -1.536 788 HG SER 2 HG SER 2 22.270 23.629 -3.569 789 H HIS 3 H HIS 3 22.161 20.898 -0.706 790 HA HIS 3 HA HIS 3 22.682 18.646 -1.202 791 1HB HIS 3 2HB HIS 3 22.763 20.314 -3.585 792 2HB HIS 3 1HB HIS 3 23.821 18.914 -3.758 793 HD1 HIS 3 HD1 HIS 3 20.252 19.641 -2.604 794 HD2 HIS 3 HD2 HIS 3 22.447 16.627 -4.472 795 HE1 HIS 3 HE1 HIS 3 18.596 17.826 -3.223 796 H MET 4 H MET 4 24.780 17.562 -2.728 797 HA MET 4 HA MET 4 27.266 18.616 -1.436 798 1HB MET 4 2HB MET 4 25.825 16.458 -0.532 799 2HB MET 4 1HB MET 4 26.978 15.681 -1.617 800 1HG MET 4 2HG MET 4 28.609 15.923 -0.087 801 2HG MET 4 1HG MET 4 28.365 17.670 -0.084 802 1HE MET 4 1HE MET 4 29.090 17.986 1.941 803 2HE MET 4 3HE MET 4 27.615 18.838 2.423 804 3HE MET 4 2HE MET 4 28.335 17.638 3.494 805 H GLU 5 H GLU 5 28.924 16.514 -2.410 806 HA GLU 5 HA GLU 5 28.881 17.133 -5.332 807 1HB GLU 5 2HB GLU 5 30.813 17.411 -3.447 808 2HB GLU 5 1HB GLU 5 31.189 15.790 -4.032 809 1HG GLU 5 2HG GLU 5 32.255 16.766 -5.764 810 2HG GLU 5 1HG GLU 5 30.672 17.274 -6.351 811 H GLU 6 H GLU 6 27.714 14.760 -3.408 812 HA GLU 6 HA GLU 6 28.122 12.687 -5.518 813 1HB GLU 6 2HB GLU 6 28.657 11.051 -3.738 814 2HB GLU 6 1HB GLU 6 29.818 12.380 -3.745 815 1HG GLU 6 2HG GLU 6 28.346 13.497 -1.982 816 2HG GLU 6 1HG GLU 6 27.500 11.955 -1.848 817 H ASP 7 H ASP 7 26.633 10.689 -4.807 818 HA ASP 7 HA ASP 7 24.358 10.023 -4.666 819 1HB ASP 7 2HB ASP 7 25.187 10.170 -2.317 820 2HB ASP 7 1HB ASP 7 24.629 11.841 -2.248 821 HA PRO 8 HA PRO 8 22.878 14.169 -6.174 822 1HB PRO 8 2HB PRO 8 22.727 13.570 -8.835 823 2HB PRO 8 1HB PRO 8 24.199 14.202 -8.072 824 1HG PRO 8 2HG PRO 8 23.550 11.445 -8.928 825 2HG PRO 8 1HG PRO 8 25.109 12.277 -8.877 826 1HD PRO 8 2HD PRO 8 24.199 10.416 -7.015 827 2HD PRO 8 1HD PRO 8 25.539 11.556 -6.771 828 H CYS 9 H CYS 9 21.966 11.159 -7.903 829 HA CYS 9 HA CYS 9 19.103 11.857 -7.445 830 1HB CYS 9 2HB CYS 9 20.319 9.879 -9.386 831 2HB CYS 9 1HB CYS 9 18.728 10.630 -9.460 832 H GLU 10 H GLU 10 20.948 10.457 -5.505 833 HA GLU 10 HA GLU 10 20.955 8.529 -4.131 834 1HB GLU 10 2HB GLU 10 18.107 9.171 -4.876 835 2HB GLU 10 1HB GLU 10 18.467 7.865 -3.746 836 1HG GLU 10 2HG GLU 10 18.646 9.400 -2.109 837 2HG GLU 10 1HG GLU 10 20.054 10.063 -2.938 838 H CYS 11 H CYS 11 21.918 7.584 -6.471 839 HA CYS 11 HA CYS 11 20.559 5.814 -8.095 840 1HB CYS 11 2HB CYS 11 23.274 5.923 -6.868 841 2HB CYS 11 1HB CYS 11 22.820 4.421 -7.676 842 H LYS 12 H LYS 12 21.593 5.215 -4.754 843 HA LYS 12 HA LYS 12 19.989 2.677 -4.819 844 1HB LYS 12 2HB LYS 12 22.334 3.311 -3.015 845 2HB LYS 12 1HB LYS 12 21.644 1.730 -3.377 846 1HG LYS 12 2HG LYS 12 23.132 3.529 -5.313 847 2HG LYS 12 1HG LYS 12 23.709 2.002 -4.643 848 1HD LYS 12 2HD LYS 12 21.133 1.539 -5.791 849 2HD LYS 12 1HD LYS 12 22.110 2.408 -6.977 850 1HE LYS 12 2HE LYS 12 23.647 0.686 -7.175 851 2HE LYS 12 1HE LYS 12 23.405 0.142 -5.504 852 1HZ LYS 12 2HZ LYS 12 20.942 -0.074 -6.736 853 2HZ LYS 12 1HZ LYS 12 22.054 -0.699 -7.858 854 3HZ LYS 12 3HZ LYS 12 21.974 -1.347 -6.294 855 H SER 13 H SER 13 20.090 5.797 -3.555 856 HA SER 13 HA SER 13 19.099 5.159 -0.860 857 1HB SER 13 2HB SER 13 19.805 7.534 -2.500 858 2HB SER 13 1HB SER 13 18.667 7.802 -1.186 859 HG SER 13 HG SER 13 20.894 8.014 -0.573 860 H ILE 14 H ILE 14 17.735 6.063 -3.970 861 HA ILE 14 HA ILE 14 15.024 6.521 -2.954 862 HB ILE 14 HB ILE 14 16.391 6.265 -5.639 863 1HG1 ILE 14 2HG1 ILE 14 14.844 8.595 -4.522 864 2HG1 ILE 14 1HG1 ILE 14 16.536 8.332 -4.100 865 1HG2 ILE 14 2HG2 ILE 14 13.440 6.750 -5.118 866 2HG2 ILE 14 1HG2 ILE 14 14.235 6.907 -6.684 867 3HG2 ILE 14 3HG2 ILE 14 14.132 5.330 -5.901 868 1HD1 ILE 14 1HD1 ILE 14 16.981 8.154 -6.613 869 2HD1 ILE 14 3HD1 ILE 14 15.361 8.812 -6.839 870 3HD1 ILE 14 2HD1 ILE 14 16.590 9.762 -6.003 871 H VAL 15 H VAL 15 16.860 4.002 -4.562 872 HA VAL 15 HA VAL 15 14.574 2.169 -4.767 873 HB VAL 15 HB VAL 15 17.340 1.117 -5.010 874 1HG1 VAL 15 2HG1 VAL 15 14.791 1.133 -6.623 875 2HG1 VAL 15 1HG1 VAL 15 16.297 0.527 -7.311 876 3HG1 VAL 15 3HG1 VAL 15 15.613 -0.239 -5.877 877 1HG2 VAL 15 3HG2 VAL 15 16.380 3.493 -6.612 878 2HG2 VAL 15 2HG2 VAL 15 17.955 3.245 -5.863 879 3HG2 VAL 15 1HG2 VAL 15 17.512 2.335 -7.306 880 H LYS 16 H LYS 16 16.955 3.082 -2.467 881 HA LYS 16 HA LYS 16 17.004 0.614 -0.912 882 1HB LYS 16 2HB LYS 16 18.828 2.042 -0.522 883 2HB LYS 16 1HB LYS 16 17.830 3.494 -0.602 884 1HG LYS 16 2HG LYS 16 18.683 2.825 1.723 885 2HG LYS 16 1HG LYS 16 16.953 3.137 1.582 886 1HD LYS 16 2HD LYS 16 16.462 1.032 2.202 887 2HD LYS 16 1HD LYS 16 17.520 0.371 0.955 888 1HE LYS 16 2HE LYS 16 18.921 1.552 3.288 889 2HE LYS 16 1HE LYS 16 18.009 0.063 3.611 890 1HZ LYS 16 3HZ LYS 16 19.049 -0.672 1.364 891 2HZ LYS 16 2HZ LYS 16 20.214 0.513 1.717 892 3HZ LYS 16 1HZ LYS 16 19.967 -0.784 2.786 893 H PHE 17 H PHE 17 15.262 3.708 -0.831 894 HA PHE 17 HA PHE 17 13.622 3.055 1.475 895 1HB PHE 17 2HB PHE 17 13.747 5.337 1.034 896 2HB PHE 17 1HB PHE 17 13.766 5.099 -0.712 897 HD1 PHE 17 HD2 PHE 17 11.635 4.498 -1.907 898 HD2 PHE 17 HD1 PHE 17 11.704 5.693 2.218 899 HE1 PHE 17 HE2 PHE 17 9.204 4.957 -2.003 900 HE2 PHE 17 HE1 PHE 17 9.271 6.152 2.125 901 HZ PHE 17 HZ PHE 17 8.019 5.785 0.015 902 H GLN 18 H GLN 18 13.431 2.531 -1.998 903 HA GLN 18 HA GLN 18 10.684 1.840 -2.264 904 1HB GLN 18 2HB GLN 18 13.262 1.206 -3.656 905 2HB GLN 18 1HB GLN 18 11.806 0.333 -4.138 906 1HG GLN 18 2HG GLN 18 10.704 2.688 -4.251 907 2HG GLN 18 1HG GLN 18 12.359 3.291 -4.287 908 1HE2 GLN 18 2HE2 GLN 18 12.641 0.911 -7.342 909 2HE2 GLN 18 1HE2 GLN 18 13.086 0.610 -5.732 910 H THR 19 H THR 19 13.499 -0.178 -1.418 911 HA THR 19 HA THR 19 12.193 -2.703 -1.311 912 HB THR 19 HB THR 19 14.524 -1.433 0.140 913 HG1 THR 19 HG1 THR 19 14.353 -2.199 -2.200 914 1HG2 THR 19 1HG2 THR 19 13.269 -4.127 0.531 915 2HG2 THR 19 3HG2 THR 19 15.021 -3.969 0.648 916 3HG2 THR 19 2HG2 THR 19 13.979 -3.044 1.729 917 H LYS 20 H LYS 20 12.317 -0.041 1.019 918 HA LYS 20 HA LYS 20 11.116 -1.483 3.223 919 1HB LYS 20 2HB LYS 20 11.501 1.409 2.421 920 2HB LYS 20 1HB LYS 20 10.623 0.988 3.892 921 1HG LYS 20 2HG LYS 20 12.692 -0.514 4.410 922 2HG LYS 20 1HG LYS 20 13.513 0.492 3.216 923 1HD LYS 20 2HD LYS 20 12.931 2.511 4.484 924 2HD LYS 20 1HD LYS 20 12.057 1.534 5.665 925 1HE LYS 20 2HE LYS 20 14.152 0.353 6.251 926 2HE LYS 20 1HE LYS 20 15.034 1.340 5.069 927 1HZ LYS 20 1HZ LYS 20 13.690 3.217 6.404 928 2HZ LYS 20 3HZ LYS 20 13.935 2.095 7.652 929 3HZ LYS 20 2HZ LYS 20 15.266 2.732 6.809 930 H VAL 21 H VAL 21 9.964 0.275 0.430 931 HA VAL 21 HA VAL 21 7.139 0.297 1.205 932 HB VAL 21 HB VAL 21 8.846 0.932 -1.195 933 1HG1 VAL 21 3HG1 VAL 21 6.112 0.034 -1.319 934 2HG1 VAL 21 2HG1 VAL 21 6.191 1.737 -1.755 935 3HG1 VAL 21 1HG1 VAL 21 7.163 0.555 -2.633 936 1HG2 VAL 21 3HG2 VAL 21 7.029 2.433 0.689 937 2HG2 VAL 21 2HG2 VAL 21 8.744 2.698 0.379 938 3HG2 VAL 21 1HG2 VAL 21 7.549 3.139 -0.841 939 H GLU 22 H GLU 22 9.371 -1.914 -0.240 940 HA GLU 22 HA GLU 22 7.456 -3.537 -1.704 941 1HB GLU 22 2HB GLU 22 10.317 -3.598 -0.862 942 2HB GLU 22 1HB GLU 22 9.588 -5.137 -1.312 943 1HG GLU 22 2HG GLU 22 8.709 -3.341 -3.271 944 2HG GLU 22 1HG GLU 22 10.404 -2.926 -3.014 945 H GLU 23 H GLU 23 9.081 -3.853 1.474 946 HA GLU 23 HA GLU 23 7.605 -6.289 2.144 947 1HB GLU 23 2HB GLU 23 9.148 -4.433 3.975 948 2HB GLU 23 1HB GLU 23 8.901 -6.169 4.159 949 1HG GLU 23 2HG GLU 23 10.074 -5.858 1.623 950 2HG GLU 23 1HG GLU 23 10.966 -4.768 2.685 951 H LEU 24 H LEU 24 7.334 -2.827 2.852 952 HA LEU 24 HA LEU 24 5.325 -3.063 4.908 953 1HB LEU 24 2HB LEU 24 6.899 -1.104 4.061 954 2HB LEU 24 1HB LEU 24 5.518 -0.730 3.027 955 HG LEU 24 HG LEU 24 5.273 0.533 5.078 956 1HD1 LEU 24 3HD1 LEU 24 3.289 -0.793 4.043 957 2HD1 LEU 24 2HD1 LEU 24 3.447 -1.836 5.456 958 3HD1 LEU 24 1HD1 LEU 24 3.086 -0.121 5.661 959 1HD2 LEU 24 1HD2 LEU 24 6.750 -1.301 6.300 960 2HD2 LEU 24 3HD2 LEU 24 5.592 -0.334 7.212 961 3HD2 LEU 24 2HD2 LEU 24 5.177 -1.974 6.719 962 H ILE 25 H ILE 25 5.133 -2.451 1.387 963 HA ILE 25 HA ILE 25 2.282 -2.282 1.225 964 HB ILE 25 HB ILE 25 4.245 -1.759 -0.438 965 1HG1 ILE 25 2HG1 ILE 25 2.239 -2.845 -2.172 966 2HG1 ILE 25 1HG1 ILE 25 1.453 -2.194 -0.732 967 1HG2 ILE 25 2HG2 ILE 25 3.586 -4.637 -1.118 968 2HG2 ILE 25 1HG2 ILE 25 4.473 -3.543 -2.179 969 3HG2 ILE 25 3HG2 ILE 25 5.153 -4.002 -0.619 970 1HD1 ILE 25 1HD1 ILE 25 3.476 -0.344 -1.436 971 2HD1 ILE 25 3HD1 ILE 25 2.639 -0.761 -2.931 972 3HD1 ILE 25 2HD1 ILE 25 1.730 -0.124 -1.561 973 H ASN 26 H ASN 26 4.523 -5.045 0.893 974 HA ASN 26 HA ASN 26 2.586 -7.040 0.245 975 1HB ASN 26 2HB ASN 26 5.239 -6.972 0.407 976 2HB ASN 26 1HB ASN 26 4.936 -7.595 2.029 977 1HD2 ASN 26 2HD2 ASN 26 5.163 -10.644 0.023 978 2HD2 ASN 26 1HD2 ASN 26 6.189 -9.480 0.712 979 H THR 27 H THR 27 3.732 -5.767 3.338 980 HA THR 27 HA THR 27 2.313 -7.561 5.072 981 HB THR 27 HB THR 27 3.373 -4.735 5.271 982 HG1 THR 27 HG1 THR 27 4.512 -6.556 6.861 983 1HG2 THR 27 3HG2 THR 27 2.065 -6.463 7.382 984 2HG2 THR 27 2HG2 THR 27 3.146 -5.129 7.785 985 3HG2 THR 27 1HG2 THR 27 1.644 -4.815 6.917 986 H LEU 28 H LEU 28 1.389 -4.591 3.392 987 HA LEU 28 HA LEU 28 -1.079 -4.135 4.835 988 1HB LEU 28 2HB LEU 28 0.109 -3.305 2.183 989 2HB LEU 28 1HB LEU 28 -1.526 -2.817 2.630 990 HG LEU 28 HG LEU 28 0.557 -2.409 4.703 991 1HD1 LEU 28 2HD1 LEU 28 0.566 -1.054 2.022 992 2HD1 LEU 28 1HD1 LEU 28 1.008 -0.132 3.459 993 3HD1 LEU 28 3HD1 LEU 28 1.931 -1.568 3.014 994 1HD2 LEU 28 3HD2 LEU 28 -2.051 -1.385 3.889 995 2HD2 LEU 28 2HD2 LEU 28 -1.256 -1.290 5.460 996 3HD2 LEU 28 1HD2 LEU 28 -0.913 -0.080 4.224 997 H GLN 29 H GLN 29 -0.278 -5.751 1.761 998 HA GLN 29 HA GLN 29 -2.976 -6.557 1.133 999 1HB GLN 29 2HB GLN 29 -0.687 -6.394 -0.214 1000 2HB GLN 29 1HB GLN 29 -0.526 -8.072 0.299 1001 1HG GLN 29 2HG GLN 29 -3.082 -7.093 -0.960 1002 2HG GLN 29 1HG GLN 29 -1.720 -7.595 -1.963 1003 1HE2 GLN 29 2HE2 GLN 29 -1.900 -11.038 -0.754 1004 2HE2 GLN 29 1HE2 GLN 29 -0.734 -9.847 -1.073 1005 H GLN 30 H GLN 30 -0.614 -7.624 3.382 1006 HA GLN 30 HA GLN 30 -1.499 -10.402 3.598 1007 1HB GLN 30 2HB GLN 30 0.296 -8.507 5.119 1008 2HB GLN 30 1HB GLN 30 -0.042 -10.123 5.738 1009 1HG GLN 30 2HG GLN 30 0.610 -10.225 2.921 1010 2HG GLN 30 1HG GLN 30 1.892 -9.426 3.828 1011 1HE2 GLN 30 2HE2 GLN 30 0.987 -13.328 4.794 1012 2HE2 GLN 30 1HE2 GLN 30 -0.231 -12.334 4.154 1013 H LYS 31 H LYS 31 -1.756 -7.502 5.679 1014 HA LYS 31 HA LYS 31 -3.622 -8.701 7.535 1015 1HB LYS 31 2HB LYS 31 -2.429 -6.056 6.920 1016 2HB LYS 31 1HB LYS 31 -3.997 -5.997 7.727 1017 1HG LYS 31 2HG LYS 31 -3.206 -7.307 9.567 1018 2HG LYS 31 1HG LYS 31 -1.725 -7.733 8.710 1019 1HD LYS 31 2HD LYS 31 -1.220 -5.216 8.658 1020 2HD LYS 31 1HD LYS 31 -2.509 -5.048 9.850 1021 1HE LYS 31 2HE LYS 31 -0.663 -5.330 11.257 1022 2HE LYS 31 1HE LYS 31 -1.170 -7.020 11.060 1023 1HZ LYS 31 3HZ LYS 31 0.282 -7.028 9.014 1024 2HZ LYS 31 2HZ LYS 31 0.941 -5.565 9.572 1025 3HZ LYS 31 1HZ LYS 31 1.103 -6.980 10.497 1026 H LEU 32 H LEU 32 -3.898 -7.395 4.365 1027 HA LEU 32 HA LEU 32 -6.727 -6.664 4.520 1028 1HB LEU 32 2HB LEU 32 -4.744 -5.877 2.959 1029 2HB LEU 32 1HB LEU 32 -5.199 -7.286 2.004 1030 HG LEU 32 HG LEU 32 -7.463 -6.462 1.759 1031 1HD1 LEU 32 1HD1 LEU 32 -6.536 -4.461 3.805 1032 2HD1 LEU 32 3HD1 LEU 32 -7.838 -4.041 2.691 1033 3HD1 LEU 32 2HD1 LEU 32 -8.019 -5.418 3.778 1034 1HD2 LEU 32 1HD2 LEU 32 -5.226 -4.529 1.188 1035 2HD2 LEU 32 3HD2 LEU 32 -6.131 -5.537 0.059 1036 3HD2 LEU 32 2HD2 LEU 32 -6.886 -4.109 0.768 1037 H GLU 33 H GLU 33 -4.819 -9.350 3.125 1038 HA GLU 33 HA GLU 33 -7.116 -10.852 2.215 1039 1HB GLU 33 2HB GLU 33 -4.846 -11.118 1.308 1040 2HB GLU 33 1HB GLU 33 -4.257 -11.639 2.887 1041 1HG GLU 33 2HG GLU 33 -4.774 -13.753 2.307 1042 2HG GLU 33 1HG GLU 33 -6.475 -13.282 2.332 1043 H ALA 34 H ALA 34 -5.671 -10.334 5.286 1044 HA ALA 34 HA ALA 34 -6.780 -12.806 6.493 1045 1HB ALA 34 3HB ALA 34 -4.741 -10.807 7.057 1046 2HB ALA 34 2HB ALA 34 -5.800 -11.025 8.451 1047 3HB ALA 34 1HB ALA 34 -4.942 -12.407 7.770 1048 H VAL 35 H VAL 35 -7.293 -9.343 6.287 1049 HA VAL 35 HA VAL 35 -9.340 -9.068 8.280 1050 HB VAL 35 HB VAL 35 -8.211 -7.607 5.947 1051 1HG1 VAL 35 3HG1 VAL 35 -10.644 -7.484 5.497 1052 2HG1 VAL 35 2HG1 VAL 35 -10.893 -6.839 7.119 1053 3HG1 VAL 35 1HG1 VAL 35 -9.972 -5.914 5.934 1054 1HG2 VAL 35 2HG2 VAL 35 -9.023 -6.787 8.749 1055 2HG2 VAL 35 1HG2 VAL 35 -7.402 -7.264 8.247 1056 3HG2 VAL 35 3HG2 VAL 35 -8.121 -5.784 7.612 1057 H ALA 36 H ALA 36 -9.335 -9.973 4.845 1058 HA ALA 36 HA ALA 36 -12.217 -10.000 4.530 1059 1HB ALA 36 3HB ALA 36 -9.895 -11.315 3.084 1060 2HB ALA 36 2HB ALA 36 -11.557 -11.371 2.498 1061 3HB ALA 36 1HB ALA 36 -10.719 -9.824 2.627 1062 H LYS 37 H LYS 37 -9.810 -12.205 5.781 1063 HA LYS 37 HA LYS 37 -11.490 -14.590 5.692 1064 1HB LYS 37 2HB LYS 37 -8.802 -13.806 6.344 1065 2HB LYS 37 1HB LYS 37 -9.458 -14.730 7.698 1066 1HG LYS 37 2HG LYS 37 -9.567 -16.664 6.494 1067 2HG LYS 37 1HG LYS 37 -10.052 -15.832 5.017 1068 1HD LYS 37 2HD LYS 37 -7.842 -15.315 4.426 1069 2HD LYS 37 1HD LYS 37 -7.254 -15.512 6.077 1070 1HE LYS 37 2HE LYS 37 -7.852 -17.989 5.866 1071 2HE LYS 37 1HE LYS 37 -8.068 -17.689 4.130 1072 1HZ LYS 37 2HZ LYS 37 -5.660 -16.692 5.501 1073 2HZ LYS 37 1HZ LYS 37 -5.729 -18.319 5.017 1074 3HZ LYS 37 3HZ LYS 37 -5.876 -17.085 3.862 1075 H ARG 38 H ARG 38 -10.873 -11.988 7.980 1076 HA ARG 38 HA ARG 38 -12.257 -13.252 10.209 1077 1HB ARG 38 2HB ARG 38 -11.606 -10.333 9.680 1078 2HB ARG 38 1HB ARG 38 -11.867 -11.091 11.250 1079 1HG ARG 38 2HG ARG 38 -9.813 -12.482 9.729 1080 2HG ARG 38 1HG ARG 38 -9.407 -10.781 9.959 1081 1HD ARG 38 2HD ARG 38 -10.503 -12.039 12.384 1082 2HD ARG 38 1HD ARG 38 -8.971 -12.753 11.841 1083 HE ARG 38 HE ARG 38 -8.464 -10.085 11.568 1084 1HH1 ARG 38 2HH1 ARG 38 -9.772 -8.650 13.338 1085 2HH1 ARG 38 1HH1 ARG 38 -9.239 -9.064 14.933 1086 1HH2 ARG 38 1HH2 ARG 38 -7.792 -12.059 13.966 1087 2HH2 ARG 38 2HH2 ARG 38 -8.119 -10.989 15.288 1088 H ILE 39 H ILE 39 -13.039 -10.935 7.652 1089 HA ILE 39 HA ILE 39 -15.646 -10.166 8.508 1090 HB ILE 39 HB ILE 39 -14.196 -10.432 5.875 1091 1HG1 ILE 39 2HG1 ILE 39 -13.814 -8.588 7.662 1092 2HG1 ILE 39 1HG1 ILE 39 -14.038 -8.080 5.989 1093 1HG2 ILE 39 3HG2 ILE 39 -16.594 -10.903 5.437 1094 2HG2 ILE 39 2HG2 ILE 39 -17.023 -9.395 6.245 1095 3HG2 ILE 39 1HG2 ILE 39 -16.094 -9.359 4.746 1096 1HD1 ILE 39 3HD1 ILE 39 -16.588 -8.334 7.373 1097 2HD1 ILE 39 2HD1 ILE 39 -15.516 -7.202 8.195 1098 3HD1 ILE 39 1HD1 ILE 39 -15.925 -6.954 6.500 1099 H GLU 40 H GLU 40 -14.517 -12.867 6.475 1100 HA GLU 40 HA GLU 40 -17.092 -14.015 5.954 1101 1HB GLU 40 2HB GLU 40 -14.384 -15.360 6.261 1102 2HB GLU 40 1HB GLU 40 -15.756 -15.972 5.337 1103 1HG GLU 40 2HG GLU 40 -15.095 -13.262 4.536 1104 2HG GLU 40 1HG GLU 40 -13.698 -14.328 4.377 1105 H ALA 41 H ALA 41 -14.769 -14.299 8.605 1106 HA ALA 41 HA ALA 41 -15.891 -16.489 10.024 1107 1HB ALA 41 1HB ALA 41 -13.829 -14.717 10.326 1108 2HB ALA 41 3HB ALA 41 -14.937 -14.145 11.575 1109 3HB ALA 41 2HB ALA 41 -14.363 -15.813 11.601 1110 H LEU 42 H LEU 42 -16.794 -13.087 9.859 1111 HA LEU 42 HA LEU 42 -18.904 -13.325 11.889 1112 1HB LEU 42 2HB LEU 42 -17.979 -11.191 9.942 1113 2HB LEU 42 1HB LEU 42 -19.333 -10.947 11.034 1114 HG LEU 42 HG LEU 42 -17.771 -10.164 12.481 1115 1HD1 LEU 42 1HD1 LEU 42 -18.279 -12.357 13.513 1116 2HD1 LEU 42 3HD1 LEU 42 -16.935 -13.077 12.628 1117 3HD1 LEU 42 2HD1 LEU 42 -16.624 -11.851 13.857 1118 1HD2 LEU 42 1HD2 LEU 42 -16.121 -10.901 10.325 1119 2HD2 LEU 42 3HD2 LEU 42 -15.710 -9.834 11.668 1120 3HD2 LEU 42 2HD2 LEU 42 -15.350 -11.559 11.768 1121 H GLU 43 H GLU 43 -18.554 -13.585 8.417 1122 HA GLU 43 HA GLU 43 -21.375 -13.249 7.784 1123 1HB GLU 43 2HB GLU 43 -19.050 -14.547 6.322 1124 2HB GLU 43 1HB GLU 43 -20.594 -14.116 5.589 1125 1HG GLU 43 2HG GLU 43 -19.785 -11.802 6.927 1126 2HG GLU 43 1HG GLU 43 -18.313 -12.425 6.182 1127 H ASN 44 H ASN 44 -19.395 -15.765 9.042 1128 HA ASN 44 HA ASN 44 -21.079 -18.009 8.206 1129 1HB ASN 44 2HB ASN 44 -18.759 -17.508 10.059 1130 2HB ASN 44 1HB ASN 44 -19.635 -19.035 10.171 1131 1HD2 ASN 44 2HD2 ASN 44 -17.603 -20.280 7.576 1132 2HD2 ASN 44 1HD2 ASN 44 -18.190 -20.480 9.156 1133 H LYS 45 H LYS 45 -21.161 -15.587 10.648 1134 HA LYS 45 HA LYS 45 -23.200 -17.139 12.207 1135 1HB LYS 45 2HB LYS 45 -21.921 -14.673 13.301 1136 2HB LYS 45 1HB LYS 45 -22.336 -16.173 14.124 1137 1HG LYS 45 2HG LYS 45 -19.923 -15.612 12.388 1138 2HG LYS 45 1HG LYS 45 -19.953 -16.109 14.080 1139 1HD LYS 45 2HD LYS 45 -21.395 -18.042 12.522 1140 2HD LYS 45 1HD LYS 45 -19.818 -17.773 11.781 1141 1HE LYS 45 2HE LYS 45 -18.940 -17.957 14.267 1142 2HE LYS 45 1HE LYS 45 -20.463 -18.835 14.519 1143 1HZ LYS 45 3HZ LYS 45 -18.545 -19.389 12.317 1144 2HZ LYS 45 2HZ LYS 45 -18.634 -20.290 13.755 1145 3HZ LYS 45 1HZ LYS 45 -19.950 -20.267 12.680 1146 H ILE 46 H ILE 46 -22.641 -14.501 10.112 1147 HA ILE 46 HA ILE 46 -25.096 -13.054 10.995 1148 HB ILE 46 HB ILE 46 -22.740 -12.459 9.181 1149 1HG1 ILE 46 2HG1 ILE 46 -22.112 -11.957 11.395 1150 2HG1 ILE 46 1HG1 ILE 46 -22.705 -10.410 10.801 1151 1HG2 ILE 46 1HG2 ILE 46 -25.438 -11.372 9.103 1152 2HG2 ILE 46 3HG2 ILE 46 -24.235 -10.121 9.414 1153 3HG2 ILE 46 2HG2 ILE 46 -24.101 -11.136 7.977 1154 1HD1 ILE 46 2HD1 ILE 46 -24.999 -11.146 11.749 1155 2HD1 ILE 46 1HD1 ILE 46 -24.082 -12.356 12.646 1156 3HD1 ILE 46 3HD1 ILE 46 -23.760 -10.640 12.898 1157 H ILE 47 HN ILE 47 -23.893 -15.235 8.591 1158 HA ILE 47 HA ILE 47 -25.584 -14.553 6.378 1159 HB ILE 47 HB ILE 47 -23.642 -16.029 6.228 1160 1HG1 ILE 47 2HG1 ILE 47 -25.177 -18.184 5.444 1161 2HG1 ILE 47 1HG1 ILE 47 -26.334 -16.853 5.384 1162 1HG2 ILE 47 1HG2 ILE 47 -24.714 -17.130 8.586 1163 2HG2 ILE 47 3HG2 ILE 47 -24.820 -18.413 7.380 1164 3HG2 ILE 47 2HG2 ILE 47 -23.263 -17.662 7.734 1165 1HD1 ILE 47 1HD1 ILE 47 -24.080 -15.727 4.262 1166 2HD1 ILE 47 3HD1 ILE 47 -24.009 -17.387 3.670 1167 3HD1 ILE 47 2HD1 ILE 47 -25.434 -16.398 3.353 No H/Q in entry = 1167
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