REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3lh3_1_F DATA FIRST_RESID 37 DATA SEQUENCE FDSTDETPAS YNLAVRRAAP AVVNVYNRGL NTNSHNQLEI RTLGSGVIMD DATA SEQUENCE QRGYIITNKH VINDADQIIV ALQDGRVFEA LLVGSDSLTD LAVLKINATG DATA SEQUENCE GLPTIPINAR RVPHIGDVVL AIGNPYNLGQ TITQGIISAT GRIGLNPTGR DATA SEQUENCE QNFLQTDASI NHGNXGGALV NSLGELMGIN TLSFDXXXXX ETPEGIGFAI DATA SEQUENCE PFQLATKIMD KLIRDG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 37 F HA 0.000 4.525 4.527 -0.004 0.000 0.279 37 F C 0.000 175.798 175.800 -0.004 0.000 0.967 37 F CA 0.000 57.998 58.000 -0.004 0.000 1.383 37 F CB 0.000 38.998 39.000 -0.004 0.000 1.145 38 D N 2.440 122.896 120.400 0.094 0.000 2.375 38 D HA 0.235 4.767 4.640 -0.179 0.000 0.259 38 D C 0.438 176.827 176.300 0.150 0.000 1.235 38 D CA 0.140 54.133 54.000 -0.012 0.000 0.924 38 D CB 0.722 41.509 40.800 -0.020 0.000 1.143 38 D HN 0.223 8.735 8.370 0.237 0.000 0.529 39 S N 3.295 119.142 115.700 0.244 0.000 2.754 39 S HA -0.060 4.542 4.470 0.219 0.000 0.223 39 S C 1.471 176.135 174.600 0.106 0.000 0.951 39 S CA 0.682 59.026 58.200 0.239 0.000 0.954 39 S CB -0.216 63.193 63.200 0.349 0.000 0.780 39 S HN 0.344 8.773 8.310 0.199 0.000 0.509 40 T N 3.380 117.970 114.554 0.060 0.000 2.720 40 T HA -0.281 4.085 4.350 0.026 0.000 0.268 40 T C 0.649 175.366 174.700 0.028 0.000 1.037 40 T CA 3.466 65.584 62.100 0.030 0.000 1.144 40 T CB -0.338 68.536 68.868 0.010 0.000 0.864 40 T HN -0.237 7.933 8.240 0.052 0.101 0.444 41 D N -1.716 118.704 120.400 0.032 0.000 2.349 41 D HA 0.212 4.862 4.640 0.016 0.000 0.214 41 D C -0.481 175.832 176.300 0.021 0.000 1.063 41 D CA -0.030 53.983 54.000 0.022 0.000 0.847 41 D CB 0.646 41.458 40.800 0.019 0.000 0.933 41 D HN 0.114 8.495 8.370 0.041 0.014 0.513 42 E N 0.044 120.262 120.200 0.031 0.000 2.349 42 E HA 0.153 4.509 4.350 0.011 0.000 0.262 42 E C -0.749 175.857 176.600 0.010 0.000 1.088 42 E CA -0.102 56.309 56.400 0.019 0.000 0.899 42 E CB 0.862 30.578 29.700 0.026 0.000 1.044 42 E HN -0.700 7.528 8.360 0.044 0.159 0.420 43 T N 4.020 118.571 114.554 -0.005 0.000 2.770 43 T HA 0.271 4.616 4.350 -0.009 0.000 0.283 43 T C -1.846 172.838 174.700 -0.027 0.000 0.988 43 T CA -2.203 59.889 62.100 -0.014 0.000 0.957 43 T CB 0.277 69.133 68.868 -0.020 0.000 0.930 43 T HN 0.059 8.294 8.240 -0.009 0.000 0.443 44 P HA -0.010 4.388 4.420 -0.036 0.000 0.264 44 P C -1.189 176.066 177.300 -0.076 0.000 1.193 44 P CA -0.039 63.036 63.100 -0.041 0.000 0.763 44 P CB 0.463 32.145 31.700 -0.030 0.000 0.810 45 A N 3.234 125.995 122.820 -0.098 0.000 2.540 45 A HA -0.115 4.103 4.320 -0.170 0.000 0.239 45 A C -0.514 176.927 177.584 -0.238 0.000 1.061 45 A CA 0.801 52.737 52.037 -0.169 0.000 0.758 45 A CB -0.042 18.861 19.000 -0.162 0.000 0.991 45 A HN 0.069 8.170 8.150 -0.082 0.000 0.502 46 S N 1.579 117.061 115.700 -0.365 0.000 2.552 46 S HA 0.092 4.369 4.470 -0.322 0.000 0.272 46 S C -1.112 173.190 174.600 -0.496 0.000 1.150 46 S CA -0.136 57.855 58.200 -0.347 0.000 0.849 46 S CB 0.864 63.977 63.200 -0.144 0.000 1.113 46 S HN -0.121 7.949 8.310 -0.400 0.000 0.458 47 Y N 1.862 122.162 120.300 0.001 0.000 2.696 47 Y HA 0.199 4.748 4.550 -0.002 0.000 0.260 47 Y C 0.115 176.015 175.900 -0.001 0.000 1.165 47 Y CA -0.739 57.360 58.100 -0.001 0.000 1.189 47 Y CB -0.013 38.446 38.460 -0.002 0.000 1.180 47 Y HN 0.210 8.454 8.280 -0.060 0.000 0.538 48 N N 1.642 120.386 118.700 0.074 0.000 2.205 48 N HA -0.357 4.421 4.740 0.062 0.000 0.186 48 N C 1.020 176.559 175.510 0.048 0.000 1.015 48 N CA 3.414 56.495 53.050 0.052 0.000 0.862 48 N CB 0.271 38.770 38.487 0.020 0.000 0.986 48 N HN -0.479 7.848 8.380 0.020 0.065 0.429 49 L N -0.091 121.160 121.223 0.046 0.000 2.017 49 L HA -0.272 4.085 4.340 0.027 0.000 0.208 49 L C 1.043 177.940 176.870 0.044 0.000 1.073 49 L CA 2.990 57.853 54.840 0.038 0.000 0.745 49 L CB -0.499 41.580 42.059 0.034 0.000 0.894 49 L HN -0.210 8.030 8.230 0.043 0.016 0.432 50 A N -2.434 120.428 122.820 0.069 0.000 1.940 50 A HA -0.405 3.933 4.320 0.030 0.000 0.219 50 A C 2.175 179.779 177.584 0.034 0.000 1.176 50 A CA 2.998 55.065 52.037 0.049 0.000 0.631 50 A CB -1.072 17.965 19.000 0.061 0.000 0.814 50 A HN 0.126 8.336 8.150 0.101 0.000 0.446 51 V N -1.473 118.469 119.914 0.048 0.000 2.261 51 V HA -0.615 3.521 4.120 0.027 0.000 0.246 51 V C 2.328 178.436 176.094 0.024 0.000 1.047 51 V CA 4.302 66.623 62.300 0.035 0.000 1.015 51 V CB -0.297 31.552 31.823 0.044 0.000 0.642 51 V HN -0.610 7.519 8.190 0.066 0.100 0.446 52 R N -1.326 119.188 120.500 0.025 0.000 2.120 52 R HA -0.299 4.052 4.340 0.018 0.000 0.234 52 R C 2.234 178.543 176.300 0.014 0.000 1.123 52 R CA 3.278 59.389 56.100 0.019 0.000 0.975 52 R CB -0.341 29.969 30.300 0.017 0.000 0.866 52 R HN -0.225 8.062 8.270 0.029 0.000 0.446 53 R N -3.444 117.063 120.500 0.012 0.000 2.093 53 R HA -0.129 4.214 4.340 0.005 0.000 0.224 53 R C 0.702 177.002 176.300 -0.000 0.000 1.101 53 R CA 2.730 58.833 56.100 0.005 0.000 0.979 53 R CB 0.289 30.590 30.300 0.001 0.000 0.877 53 R HN -0.538 7.721 8.270 0.015 0.020 0.441 54 A N -3.276 119.543 122.820 -0.001 0.000 1.963 54 A HA 0.190 4.504 4.320 -0.011 0.000 0.207 54 A C 1.370 178.953 177.584 -0.000 0.000 1.243 54 A CA 1.278 53.311 52.037 -0.007 0.000 0.728 54 A CB 0.602 19.592 19.000 -0.017 0.000 0.895 54 A HN -0.576 7.576 8.150 0.003 0.000 0.467 55 A N -0.473 122.350 122.820 0.005 0.000 1.940 55 A HA -0.068 4.255 4.320 0.006 0.000 0.219 55 A C -1.005 176.587 177.584 0.014 0.000 1.176 55 A CA 4.149 56.192 52.037 0.009 0.000 0.631 55 A CB -2.289 16.720 19.000 0.014 0.000 0.814 55 A HN -0.013 8.141 8.150 0.008 0.000 0.446 56 P HA -0.226 4.209 4.420 0.025 0.000 0.221 56 P C -0.337 176.977 177.300 0.024 0.000 1.145 56 P CA 1.825 64.938 63.100 0.022 0.000 0.795 56 P CB -0.332 31.381 31.700 0.021 0.000 0.775 57 A N -5.386 117.444 122.820 0.016 0.000 2.218 57 A HA 0.140 4.472 4.320 0.020 0.000 0.209 57 A C -1.385 176.208 177.584 0.015 0.000 1.168 57 A CA -0.482 51.564 52.037 0.016 0.000 0.804 57 A CB 0.778 19.784 19.000 0.009 0.000 0.834 57 A HN -0.657 7.468 8.150 0.012 0.032 0.482 58 V N 0.228 120.150 119.914 0.012 0.000 2.432 58 V HA 0.469 4.762 4.120 0.005 -0.171 0.275 58 V C -0.399 175.700 176.094 0.010 0.000 1.043 58 V CA 0.062 62.365 62.300 0.006 0.000 0.925 58 V CB 0.864 32.686 31.823 -0.002 0.000 0.985 58 V HN -0.771 7.274 8.190 0.012 0.152 0.466 59 V N 0.041 119.957 119.914 0.004 0.000 2.919 59 V HA 0.613 4.824 4.120 0.026 -0.076 0.316 59 V C -1.459 174.614 176.094 -0.035 0.000 1.077 59 V CA -3.649 58.658 62.300 0.011 0.000 0.977 59 V CB 3.050 34.896 31.823 0.038 0.000 1.039 59 V HN 0.616 8.696 8.190 -0.002 0.108 0.441 60 N N 1.584 120.258 118.700 -0.043 0.000 2.444 60 N HA 0.221 4.826 4.740 -0.224 0.000 0.271 60 N C -0.774 174.566 175.510 -0.283 0.000 1.069 60 N CA -1.089 51.844 53.050 -0.194 0.000 0.965 60 N CB 0.786 39.178 38.487 -0.159 0.000 1.092 60 N HN -0.108 8.278 8.380 0.010 0.000 0.476 61 V N 3.551 123.227 119.914 -0.398 0.000 2.384 61 V HA 0.399 4.608 4.120 -0.127 -0.165 0.287 61 V C -1.345 174.501 176.094 -0.414 0.000 1.020 61 V CA -0.837 61.304 62.300 -0.265 0.000 0.850 61 V CB 1.742 33.489 31.823 -0.127 0.000 0.987 61 V HN 0.048 7.890 8.190 -0.406 0.104 0.436 62 Y N 6.393 126.705 120.300 0.019 0.000 2.345 62 Y HA 0.220 4.779 4.550 0.014 0.000 0.331 62 Y C -1.385 174.529 175.900 0.024 0.000 0.959 62 Y CA -1.496 56.615 58.100 0.019 0.000 1.204 62 Y CB 1.790 40.262 38.460 0.020 0.000 1.135 62 Y HN 0.796 9.156 8.280 0.133 0.000 0.477 63 N N 5.224 124.006 118.700 0.137 0.000 2.415 63 N HA 0.184 4.979 4.740 0.092 0.000 0.246 63 N C -1.313 174.262 175.510 0.108 0.000 1.078 63 N CA -0.854 52.256 53.050 0.101 0.000 0.942 63 N CB 0.657 39.185 38.487 0.069 0.000 1.140 63 N HN 0.262 8.708 8.380 0.109 0.000 0.501 64 R N 5.251 125.807 120.500 0.094 0.000 2.604 64 R HA 0.549 5.082 4.340 0.077 -0.147 0.287 64 R C -1.048 175.284 176.300 0.054 0.000 0.970 64 R CA -1.331 54.813 56.100 0.073 0.000 0.946 64 R CB 3.585 33.922 30.300 0.061 0.000 1.127 64 R HN 0.453 8.776 8.270 0.089 0.000 0.473 65 G N -0.152 108.676 108.800 0.046 0.000 2.719 65 G HA2 0.578 4.682 3.960 0.034 0.000 0.298 65 G HA3 0.578 4.560 3.960 0.037 0.000 0.298 65 G C -2.100 172.819 174.900 0.032 0.000 1.411 65 G CA -0.396 44.726 45.100 0.037 0.000 0.991 65 G HN 0.103 8.421 8.290 0.048 0.000 0.509 66 L N 2.349 123.588 121.223 0.027 0.000 2.483 66 L HA -0.161 4.374 4.340 0.027 -0.178 0.276 66 L C -0.028 176.854 176.870 0.020 0.000 1.213 66 L CA 0.923 55.777 54.840 0.024 0.000 0.843 66 L CB 0.391 42.463 42.059 0.021 0.000 1.107 66 L HN -0.210 8.246 8.230 0.025 -0.210 0.487 67 N N 1.576 120.286 118.700 0.017 0.000 2.407 67 N HA 0.187 4.930 4.740 0.006 0.000 0.277 67 N C 0.364 175.866 175.510 -0.015 0.000 0.995 67 N CA -1.170 51.883 53.050 0.005 0.000 0.903 67 N CB 1.806 40.297 38.487 0.008 0.000 1.218 67 N HN -0.078 8.315 8.380 0.022 0.000 0.487 68 T N 7.372 121.915 114.554 -0.020 0.000 2.746 68 T HA -0.349 3.982 4.350 -0.031 0.000 0.267 68 T C 1.172 175.829 174.700 -0.072 0.000 1.039 68 T CA 3.830 65.909 62.100 -0.035 0.000 1.142 68 T CB 0.094 68.947 68.868 -0.024 0.000 0.866 68 T HN 0.517 8.750 8.240 -0.012 0.000 0.444 69 N N 1.074 119.734 118.700 -0.067 0.000 2.166 69 N HA -0.121 4.562 4.740 -0.096 0.000 0.186 69 N C 0.110 175.509 175.510 -0.185 0.000 1.019 69 N CA 2.209 55.202 53.050 -0.095 0.000 0.856 69 N CB 0.267 38.722 38.487 -0.053 0.000 0.993 69 N HN -0.442 8.137 8.380 -0.045 -0.226 0.426 70 S N -0.596 115.005 115.700 -0.165 0.000 2.062 70 S HA 0.260 4.427 4.470 -0.506 0.000 0.163 70 S C -1.419 173.121 174.600 -0.101 0.000 1.612 70 S CA -0.359 57.709 58.200 -0.221 0.000 1.251 70 S CB -0.001 63.206 63.200 0.011 0.000 1.174 70 S HN -0.757 7.494 8.310 -0.097 0.000 0.428 71 H N 0.596 119.670 119.070 0.006 0.000 2.839 71 H HA -0.252 4.307 4.556 0.005 0.000 0.298 71 H C -1.010 174.322 175.328 0.006 0.000 1.224 71 H CA 0.797 56.848 56.048 0.005 0.000 1.144 71 H CB -2.760 27.005 29.762 0.004 0.000 1.372 71 H HN 0.569 8.560 8.280 -0.483 0.000 0.408 72 N N -4.645 114.089 118.700 0.058 0.000 2.716 72 N HA -0.488 4.337 4.740 0.027 -0.069 0.250 72 N C -1.455 174.086 175.510 0.051 0.000 1.033 72 N CA 1.892 54.968 53.050 0.044 0.000 0.727 72 N CB -0.661 37.849 38.487 0.038 0.000 0.950 72 N HN -0.027 8.362 8.380 0.015 0.000 0.541 73 Q N -1.881 117.953 119.800 0.058 0.000 2.337 73 Q HA 0.213 4.576 4.340 0.039 0.000 0.266 73 Q C -0.694 175.327 176.000 0.036 0.000 1.023 73 Q CA -1.400 54.431 55.803 0.047 0.000 0.829 73 Q CB 2.694 31.466 28.738 0.057 0.000 1.306 73 Q HN -0.628 7.680 8.270 0.064 0.000 0.449 74 L N 5.154 126.394 121.223 0.027 0.000 2.540 74 L HA -0.115 4.242 4.340 0.027 0.000 0.276 74 L C -0.207 176.677 176.870 0.024 0.000 1.212 74 L CA 1.126 55.981 54.840 0.024 0.000 0.893 74 L CB -0.099 41.971 42.059 0.018 0.000 1.138 74 L HN 0.397 8.641 8.230 0.024 0.000 0.491 75 E N 3.441 123.659 120.200 0.030 0.000 2.412 75 E HA 0.260 4.622 4.350 0.021 0.000 0.279 75 E C -1.481 175.147 176.600 0.047 0.000 0.984 75 E CA -2.129 54.290 56.400 0.031 0.000 0.788 75 E CB 3.066 32.787 29.700 0.035 0.000 1.277 75 E HN -0.249 8.131 8.360 0.034 0.000 0.455 76 I N 1.785 122.388 120.570 0.055 0.000 2.668 76 I HA -0.226 4.141 4.170 0.106 -0.134 0.285 76 I C 0.651 176.824 176.117 0.092 0.000 1.168 76 I CA 1.779 63.137 61.300 0.095 0.000 1.424 76 I CB -0.134 37.946 38.000 0.133 0.000 1.377 76 I HN 0.538 8.774 8.210 0.043 0.000 0.560 77 R N 6.947 127.502 120.500 0.093 0.000 2.250 77 R HA 0.241 4.628 4.340 0.078 0.000 0.194 77 R C 0.363 176.723 176.300 0.101 0.000 0.927 77 R CA 0.057 56.207 56.100 0.083 0.000 1.052 77 R CB 1.445 31.784 30.300 0.065 0.000 1.055 77 R HN 0.654 8.981 8.270 0.095 0.000 0.537 78 T N 1.717 116.336 114.554 0.108 0.000 2.923 78 T HA 0.317 4.750 4.350 0.140 0.000 0.311 78 T C -2.704 172.040 174.700 0.073 0.000 1.183 78 T CA -0.765 61.399 62.100 0.107 0.000 1.020 78 T CB 2.961 71.883 68.868 0.089 0.000 1.165 78 T HN -0.582 7.722 8.240 0.107 0.000 0.482 79 L N -0.289 120.934 121.223 0.001 0.000 2.409 79 L HA 1.002 5.412 4.340 -0.126 -0.145 0.262 79 L C -1.477 175.245 176.870 -0.248 0.000 0.992 79 L CA -1.605 53.159 54.840 -0.127 0.000 0.817 79 L CB 3.610 45.607 42.059 -0.102 0.000 1.350 79 L HN 0.084 8.312 8.230 -0.003 0.000 0.411 80 G N -0.196 108.443 108.800 -0.269 0.000 2.976 80 G HA2 0.437 4.357 3.960 -0.270 0.000 0.276 80 G HA3 0.437 4.292 3.960 -0.174 0.000 0.276 80 G C -2.069 172.696 174.900 -0.226 0.000 1.207 80 G CA -0.321 44.638 45.100 -0.234 0.000 0.803 80 G HN 0.462 8.570 8.290 -0.305 0.000 0.572 81 S N -1.066 114.545 115.700 -0.149 0.000 2.704 81 S HA 1.022 5.559 4.470 -0.139 -0.150 0.296 81 S C -0.915 173.645 174.600 -0.067 0.000 1.138 81 S CA -1.635 56.496 58.200 -0.114 0.000 0.875 81 S CB 4.152 67.299 63.200 -0.089 0.000 1.151 81 S HN 0.081 8.319 8.310 -0.120 0.000 0.500 82 G N -2.100 106.675 108.800 -0.042 0.000 2.677 82 G HA2 0.777 4.995 3.960 -0.007 0.000 0.291 82 G HA3 0.777 4.731 3.960 -0.010 0.000 0.291 82 G C -3.228 171.671 174.900 -0.000 0.000 1.435 82 G CA 0.032 45.124 45.100 -0.013 0.000 0.826 82 G HN -0.123 8.142 8.290 -0.042 0.000 0.491 83 V N 0.766 120.688 119.914 0.013 0.000 2.483 83 V HA 0.410 4.676 4.120 0.012 -0.139 0.297 83 V C -0.982 175.126 176.094 0.024 0.000 1.027 83 V CA -1.466 60.844 62.300 0.017 0.000 0.855 83 V CB 3.277 35.112 31.823 0.020 0.000 0.995 83 V HN 0.340 8.541 8.190 0.018 0.000 0.424 84 I N 7.657 128.238 120.570 0.019 0.000 2.452 84 I HA -0.108 4.075 4.170 0.022 0.000 0.287 84 I C 0.008 176.141 176.117 0.028 0.000 1.079 84 I CA 1.298 62.609 61.300 0.019 0.000 1.387 84 I CB -0.131 37.872 38.000 0.004 0.000 1.404 84 I HN 0.526 8.746 8.210 0.016 0.000 0.522 85 M N 5.329 124.959 119.600 0.049 0.000 2.534 85 M HA 0.088 4.592 4.480 0.039 0.000 0.263 85 M C -0.075 176.257 176.300 0.053 0.000 1.152 85 M CA -0.663 54.668 55.300 0.052 0.000 1.145 85 M CB 0.321 32.960 32.600 0.065 0.000 1.333 85 M HN 0.356 8.684 8.290 0.064 0.000 0.477 86 D N -5.446 114.993 120.400 0.066 0.000 2.639 86 D HA 0.142 4.805 4.640 0.040 0.000 0.271 86 D C -0.058 176.265 176.300 0.037 0.000 1.254 86 D CA -1.057 52.978 54.000 0.058 0.000 0.810 86 D CB 0.685 41.535 40.800 0.084 0.000 1.351 86 D HN -0.869 7.546 8.370 0.075 0.000 0.427 87 Q N -2.421 117.394 119.800 0.024 0.000 2.364 87 Q HA -0.227 4.104 4.340 -0.015 0.000 0.209 87 Q C 0.902 176.886 176.000 -0.026 0.000 0.977 87 Q CA 2.309 58.110 55.803 -0.003 0.000 0.885 87 Q CB -0.333 28.406 28.738 0.002 0.000 0.941 87 Q HN 0.383 8.670 8.270 0.029 0.000 0.464 88 R N -3.898 116.605 120.500 0.004 0.000 2.235 88 R HA -0.261 4.041 4.340 -0.064 0.000 0.213 88 R C 0.236 176.403 176.300 -0.222 0.000 1.059 88 R CA 1.256 57.324 56.100 -0.053 0.000 0.997 88 R CB 0.600 30.953 30.300 0.088 0.000 0.884 88 R HN -0.632 7.796 8.270 0.055 -0.125 0.462 89 G N -3.759 104.932 108.800 -0.182 0.000 2.134 89 G HA2 -0.385 3.451 3.960 -0.207 0.000 0.209 89 G HA3 -0.385 3.543 3.960 -0.335 -0.168 0.209 89 G C -0.745 173.984 174.900 -0.285 0.000 0.993 89 G CA -0.284 44.658 45.100 -0.264 0.000 0.669 89 G HN -0.331 7.868 8.290 -0.087 0.038 0.519 90 Y N 0.735 121.003 120.300 -0.054 0.000 2.359 90 Y HA 0.272 5.000 4.550 -0.037 -0.201 0.334 90 Y C -0.813 175.070 175.900 -0.029 0.000 1.058 90 Y CA 0.726 58.805 58.100 -0.036 0.000 1.244 90 Y CB 0.724 39.169 38.460 -0.024 0.000 1.187 90 Y HN -1.038 7.425 8.280 0.026 -0.168 0.510 91 I N 2.116 122.761 120.570 0.125 0.000 2.509 91 I HA 0.564 4.954 4.170 0.061 -0.183 0.293 91 I C -0.829 175.330 176.117 0.071 0.000 1.020 91 I CA -1.669 59.672 61.300 0.068 0.000 1.088 91 I CB 3.733 41.749 38.000 0.027 0.000 1.267 91 I HN 0.348 8.639 8.210 0.135 0.000 0.430 92 I N 6.494 127.096 120.570 0.054 0.000 2.440 92 I HA 0.606 4.966 4.170 0.046 -0.163 0.294 92 I C -0.712 175.424 176.117 0.033 0.000 0.995 92 I CA -0.686 60.641 61.300 0.044 0.000 1.306 92 I CB 1.889 39.916 38.000 0.044 0.000 1.407 92 I HN 0.285 8.526 8.210 0.050 0.000 0.501 93 T N 4.960 119.532 114.554 0.030 0.000 2.681 93 T HA 0.416 4.777 4.350 0.017 0.000 0.296 93 T C -1.799 172.920 174.700 0.031 0.000 1.157 93 T CA -2.862 59.251 62.100 0.022 0.000 1.025 93 T CB 1.539 70.413 68.868 0.011 0.000 1.441 93 T HN 0.349 8.608 8.240 0.032 0.000 0.504 94 N N 0.602 119.322 118.700 0.034 0.000 2.518 94 N HA 0.279 5.216 4.740 0.065 -0.159 0.283 94 N C 0.243 175.782 175.510 0.048 0.000 1.119 94 N CA 0.026 53.112 53.050 0.059 0.000 0.983 94 N CB 1.436 39.974 38.487 0.085 0.000 1.139 94 N HN 0.405 8.799 8.380 0.023 0.000 0.465 95 K N 3.727 124.145 120.400 0.030 0.000 2.057 95 K HA -0.362 3.945 4.320 -0.020 0.000 0.207 95 K C 1.492 178.066 176.600 -0.044 0.000 1.049 95 K CA 2.923 59.191 56.287 -0.031 0.000 0.931 95 K CB 0.183 32.628 32.500 -0.092 0.000 0.714 95 K HN 0.079 8.320 8.250 0.039 0.032 0.440 96 H N -1.892 117.189 119.070 0.018 0.000 2.422 96 H HA -0.219 4.348 4.556 0.019 0.000 0.298 96 H C 2.474 177.812 175.328 0.017 0.000 1.098 96 H CA 3.159 59.218 56.048 0.019 0.000 1.315 96 H CB -0.057 29.718 29.762 0.022 0.000 1.382 96 H HN -0.645 7.875 8.280 0.108 -0.176 0.523 97 V N -3.679 116.308 119.914 0.121 0.000 2.427 97 V HA -0.301 3.856 4.120 0.062 0.000 0.248 97 V C 0.706 176.826 176.094 0.043 0.000 1.051 97 V CA 2.775 65.110 62.300 0.059 0.000 1.048 97 V CB 0.527 32.358 31.823 0.013 0.000 0.666 97 V HN -0.600 7.543 8.190 0.115 0.116 0.456 98 I N -11.123 109.467 120.570 0.033 0.000 3.976 98 I HA 0.123 4.314 4.170 0.034 0.000 0.337 98 I C -0.669 175.461 176.117 0.022 0.000 1.359 98 I CA -2.017 59.300 61.300 0.027 0.000 1.098 98 I CB -0.054 37.959 38.000 0.022 0.000 1.027 98 I HN -0.908 7.320 8.210 0.030 0.000 0.394 99 N N 3.598 122.307 118.700 0.016 0.000 2.412 99 N HA -0.154 4.581 4.740 -0.007 0.000 0.254 99 N C -0.333 175.189 175.510 0.021 0.000 1.232 99 N CA 1.768 54.821 53.050 0.005 0.000 0.880 99 N CB -0.021 38.460 38.487 -0.011 0.000 1.076 99 N HN -0.677 7.716 8.380 0.021 0.000 0.458 100 D N -5.459 114.950 120.400 0.014 0.000 3.076 100 D HA -0.347 4.302 4.640 0.015 0.000 0.218 100 D C -1.404 174.911 176.300 0.026 0.000 1.156 100 D CA 1.152 55.163 54.000 0.019 0.000 0.921 100 D CB -1.265 39.548 40.800 0.023 0.000 1.113 100 D HN 0.196 8.571 8.370 0.007 0.000 0.418 101 A N -2.646 120.191 122.820 0.028 0.000 2.425 101 A HA -0.131 4.331 4.320 0.039 -0.118 0.249 101 A C -0.225 177.377 177.584 0.031 0.000 1.084 101 A CA 0.028 52.086 52.037 0.035 0.000 0.781 101 A CB 0.626 19.650 19.000 0.040 0.000 1.019 101 A HN -0.772 7.353 8.150 0.026 0.040 0.490 102 D N 1.437 121.856 120.400 0.033 0.000 2.338 102 D HA 0.028 4.683 4.640 0.025 0.000 0.208 102 D C 0.162 176.482 176.300 0.032 0.000 0.997 102 D CA 1.795 55.812 54.000 0.029 0.000 0.880 102 D CB 1.504 42.320 40.800 0.027 0.000 0.980 102 D HN 0.026 8.418 8.370 0.036 0.000 0.509 103 Q N -1.237 118.587 119.800 0.040 0.000 2.281 103 Q HA 0.245 4.610 4.340 0.042 0.000 0.263 103 Q C -2.567 173.470 176.000 0.061 0.000 0.989 103 Q CA -0.072 55.758 55.803 0.045 0.000 0.852 103 Q CB 3.529 32.292 28.738 0.040 0.000 1.337 103 Q HN -0.658 7.638 8.270 0.044 0.000 0.418 104 I N 6.986 127.594 120.570 0.064 0.000 2.339 104 I HA 0.605 5.012 4.170 0.092 -0.182 0.290 104 I C -1.367 174.811 176.117 0.102 0.000 0.994 104 I CA -1.151 60.198 61.300 0.081 0.000 1.191 104 I CB 1.618 39.655 38.000 0.062 0.000 1.343 104 I HN 0.620 8.865 8.210 0.057 0.000 0.458 105 I N 7.032 127.690 120.570 0.148 0.000 2.460 105 I HA 0.635 5.035 4.170 0.146 -0.143 0.298 105 I C -1.116 175.133 176.117 0.219 0.000 0.989 105 I CA -2.835 58.572 61.300 0.178 0.000 1.173 105 I CB 1.682 39.790 38.000 0.180 0.000 1.338 105 I HN 0.478 8.793 8.210 0.175 0.000 0.456 106 V N 5.743 125.781 119.914 0.207 0.000 2.487 106 V HA 0.585 4.981 4.120 0.159 -0.181 0.298 106 V C -2.195 174.034 176.094 0.225 0.000 1.028 106 V CA -2.022 60.395 62.300 0.195 0.000 0.860 106 V CB 3.686 35.608 31.823 0.166 0.000 0.991 106 V HN 0.562 8.875 8.190 0.206 0.000 0.427 107 A N 7.076 130.019 122.820 0.206 0.000 2.318 107 A HA 0.806 5.365 4.320 0.143 -0.153 0.317 107 A C -1.824 175.841 177.584 0.135 0.000 1.159 107 A CA -2.188 49.956 52.037 0.177 0.000 0.799 107 A CB 2.819 21.966 19.000 0.245 0.000 1.194 107 A HN 0.612 8.868 8.150 0.177 0.000 0.479 108 L N 2.333 123.632 121.223 0.127 0.000 2.399 108 L HA 0.178 4.578 4.340 0.100 0.000 0.265 108 L C 1.829 178.743 176.870 0.073 0.000 1.089 108 L CA -0.648 54.257 54.840 0.109 0.000 0.802 108 L CB 1.494 43.641 42.059 0.146 0.000 1.180 108 L HN 0.262 8.565 8.230 0.121 0.000 0.454 109 Q N 1.390 121.226 119.800 0.059 0.000 2.291 109 Q HA -0.260 4.107 4.340 0.045 0.000 0.205 109 Q C 0.413 176.436 176.000 0.038 0.000 0.970 109 Q CA 2.201 58.031 55.803 0.045 0.000 0.876 109 Q CB -0.494 28.266 28.738 0.036 0.000 0.935 109 Q HN 1.008 9.313 8.270 0.058 0.000 0.455 110 D N -5.762 114.664 120.400 0.043 0.000 2.349 110 D HA -0.046 4.611 4.640 0.028 0.000 0.224 110 D C 0.627 176.940 176.300 0.021 0.000 1.029 110 D CA -0.453 53.567 54.000 0.034 0.000 0.879 110 D CB -0.666 40.159 40.800 0.042 0.000 0.906 110 D HN -0.599 7.768 8.370 0.053 0.035 0.528 111 G N -0.354 108.457 108.800 0.018 0.000 2.213 111 G HA2 -0.449 3.511 3.960 -0.000 0.000 0.226 111 G HA3 -0.449 3.505 3.960 -0.010 0.000 0.226 111 G C -0.343 174.531 174.900 -0.044 0.000 0.992 111 G CA -0.194 44.903 45.100 -0.006 0.000 0.632 111 G HN -0.474 7.668 8.290 0.030 0.166 0.511 112 R N 0.841 121.311 120.500 -0.049 0.000 2.594 112 R HA 0.008 4.206 4.340 -0.236 0.000 0.272 112 R C -1.281 174.871 176.300 -0.246 0.000 1.074 112 R CA 0.514 56.501 56.100 -0.188 0.000 1.105 112 R CB 1.202 31.421 30.300 -0.134 0.000 1.008 112 R HN -0.220 8.302 8.270 -0.003 -0.254 0.472 113 V N 1.633 121.266 119.914 -0.468 0.000 2.577 113 V HA 0.648 4.861 4.120 -0.134 -0.173 0.303 113 V C -0.742 175.040 176.094 -0.521 0.000 1.042 113 V CA -1.060 61.053 62.300 -0.311 0.000 0.872 113 V CB 2.410 34.140 31.823 -0.154 0.000 0.998 113 V HN 0.008 7.854 8.190 -0.575 0.000 0.423 114 F N 5.570 125.535 119.950 0.025 0.000 2.561 114 F HA 0.347 4.879 4.527 0.008 0.000 0.321 114 F C -0.980 174.833 175.800 0.022 0.000 1.065 114 F CA -1.621 56.388 58.000 0.015 0.000 0.934 114 F CB 4.198 43.201 39.000 0.005 0.000 1.215 114 F HN 0.549 8.946 8.300 0.161 0.000 0.471 115 E N 2.430 122.754 120.200 0.207 0.000 2.259 115 E HA 0.280 4.833 4.350 0.119 -0.132 0.281 115 E C -1.264 175.408 176.600 0.119 0.000 1.027 115 E CA -0.547 55.931 56.400 0.131 0.000 0.838 115 E CB 1.402 31.152 29.700 0.084 0.000 1.066 115 E HN 0.384 8.866 8.360 0.203 0.000 0.401 116 A N 6.175 129.048 122.820 0.088 0.000 2.312 116 A HA 0.596 5.069 4.320 0.026 -0.137 0.328 116 A C -1.527 176.075 177.584 0.031 0.000 1.158 116 A CA -1.555 50.510 52.037 0.047 0.000 0.821 116 A CB 2.452 21.480 19.000 0.047 0.000 1.170 116 A HN 0.445 8.650 8.150 0.090 0.000 0.490 117 L N 0.372 121.600 121.223 0.008 0.000 2.309 117 L HA 0.370 4.722 4.340 0.020 0.000 0.282 117 L C -0.771 176.112 176.870 0.022 0.000 1.036 117 L CA -1.562 53.286 54.840 0.013 0.000 0.806 117 L CB 2.695 44.755 42.059 0.002 0.000 1.220 117 L HN 0.130 8.353 8.230 -0.011 0.000 0.429 118 L N 4.798 126.038 121.223 0.028 0.000 2.385 118 L HA -0.020 4.341 4.340 0.036 0.000 0.281 118 L C 0.029 176.924 176.870 0.041 0.000 1.106 118 L CA 0.740 55.600 54.840 0.033 0.000 0.856 118 L CB -0.789 41.285 42.059 0.025 0.000 1.186 118 L HN 0.327 8.572 8.230 0.026 0.000 0.453 119 V N 6.540 126.491 119.914 0.062 0.000 2.488 119 V HA -0.057 4.111 4.120 0.079 0.000 0.246 119 V C -0.641 175.480 176.094 0.045 0.000 1.046 119 V CA 1.759 64.107 62.300 0.081 0.000 1.053 119 V CB 0.704 32.619 31.823 0.153 0.000 0.679 119 V HN 0.445 8.678 8.190 0.070 0.000 0.458 120 G N -5.541 103.278 108.800 0.032 0.000 2.355 120 G HA2 0.095 4.060 3.960 0.009 0.000 0.296 120 G HA3 0.095 4.059 3.960 0.006 0.000 0.296 120 G C -3.449 171.453 174.900 0.004 0.000 1.507 120 G CA -0.177 44.930 45.100 0.011 0.000 0.823 120 G HN -0.892 7.420 8.290 0.037 0.000 0.569 121 S N -1.664 114.031 115.700 -0.008 0.000 2.627 121 S HA 0.664 5.238 4.470 -0.011 -0.110 0.283 121 S C -1.984 172.601 174.600 -0.024 0.000 1.127 121 S CA -1.481 56.710 58.200 -0.015 0.000 0.863 121 S CB 3.461 66.647 63.200 -0.023 0.000 1.121 121 S HN -0.070 8.234 8.310 -0.010 0.000 0.479 122 D N -0.010 120.374 120.400 -0.028 0.000 2.421 122 D HA 0.351 4.972 4.640 -0.032 0.000 0.254 122 D C 0.358 176.636 176.300 -0.037 0.000 1.238 122 D CA -0.800 53.181 54.000 -0.031 0.000 0.919 122 D CB 2.214 42.997 40.800 -0.029 0.000 1.152 122 D HN 0.067 8.421 8.370 -0.026 0.000 0.552 123 S N 4.928 120.602 115.700 -0.043 0.000 2.447 123 S HA -0.232 4.196 4.470 -0.071 0.000 0.233 123 S C 0.923 175.505 174.600 -0.030 0.000 1.006 123 S CA 2.245 60.414 58.200 -0.051 0.000 0.957 123 S CB 0.061 63.229 63.200 -0.053 0.000 0.773 123 S HN 0.350 8.635 8.310 -0.041 0.000 0.507 124 L N -0.940 120.265 121.223 -0.031 0.000 2.217 124 L HA -0.092 4.231 4.340 -0.027 0.000 0.211 124 L C 0.837 177.683 176.870 -0.040 0.000 1.107 124 L CA 1.631 56.451 54.840 -0.033 0.000 0.783 124 L CB 0.581 42.615 42.059 -0.041 0.000 0.919 124 L HN -0.301 7.877 8.230 -0.034 0.031 0.442 125 T N -7.570 106.964 114.554 -0.034 0.000 3.040 125 T HA 0.085 4.397 4.350 -0.063 0.000 0.266 125 T C 0.237 174.952 174.700 0.024 0.000 1.005 125 T CA -0.936 61.143 62.100 -0.035 0.000 0.906 125 T CB 1.771 70.607 68.868 -0.054 0.000 1.082 125 T HN -0.620 7.734 8.240 -0.030 -0.132 0.531 126 D N 0.390 120.807 120.400 0.027 0.000 2.945 126 D HA -0.288 4.355 4.640 0.005 0.000 0.225 126 D C -1.319 175.011 176.300 0.050 0.000 1.158 126 D CA 1.555 55.587 54.000 0.053 0.000 0.805 126 D CB -0.622 40.275 40.800 0.162 0.000 1.098 126 D HN -0.123 8.143 8.370 0.004 0.107 0.426 127 L N -2.820 118.416 121.223 0.022 0.000 2.334 127 L HA 0.491 4.988 4.340 0.037 -0.134 0.275 127 L C -1.801 175.073 176.870 0.007 0.000 1.036 127 L CA -0.954 53.900 54.840 0.022 0.000 0.807 127 L CB 2.513 44.581 42.059 0.016 0.000 1.231 127 L HN -0.936 7.267 8.230 0.008 0.032 0.438 128 A N 0.414 123.243 122.820 0.015 0.000 2.454 128 A HA 0.798 5.239 4.320 0.006 -0.118 0.302 128 A C -2.232 175.367 177.584 0.026 0.000 1.079 128 A CA -1.735 50.310 52.037 0.013 0.000 0.731 128 A CB 3.907 22.913 19.000 0.011 0.000 1.299 128 A HN 0.448 8.611 8.150 0.023 0.000 0.413 129 V N 0.630 120.564 119.914 0.034 0.000 2.555 129 V HA 0.865 5.212 4.120 0.065 -0.188 0.302 129 V C -0.960 175.184 176.094 0.083 0.000 1.038 129 V CA -1.854 60.484 62.300 0.064 0.000 0.887 129 V CB 2.313 34.173 31.823 0.062 0.000 0.991 129 V HN 0.236 8.443 8.190 0.029 0.000 0.434 130 L N 4.722 126.001 121.223 0.093 0.000 2.286 130 L HA 0.923 5.463 4.340 0.058 -0.166 0.265 130 L C -1.252 175.650 176.870 0.053 0.000 1.012 130 L CA -2.114 52.764 54.840 0.063 0.000 0.818 130 L CB 3.320 45.399 42.059 0.034 0.000 1.337 130 L HN 0.821 9.108 8.230 0.096 0.000 0.438 131 K N 0.830 121.209 120.400 -0.034 0.000 2.507 131 K HA 0.616 4.941 4.320 -0.298 -0.184 0.251 131 K C -1.533 174.959 176.600 -0.180 0.000 0.943 131 K CA -1.507 54.661 56.287 -0.199 0.000 0.794 131 K CB 2.759 35.114 32.500 -0.241 0.000 1.188 131 K HN 0.270 8.507 8.250 -0.021 0.000 0.428 132 I N 1.260 121.676 120.570 -0.257 0.000 2.562 132 I HA 0.489 4.551 4.170 -0.180 0.000 0.301 132 I C -2.040 173.874 176.117 -0.338 0.000 1.003 132 I CA -1.783 59.348 61.300 -0.282 0.000 1.127 132 I CB 2.515 40.262 38.000 -0.422 0.000 1.304 132 I HN 0.229 8.258 8.210 -0.302 0.000 0.446 133 N N 4.864 123.412 118.700 -0.253 0.000 2.527 133 N HA 0.182 4.796 4.740 -0.210 0.000 0.236 133 N C -1.394 174.003 175.510 -0.189 0.000 0.999 133 N CA -0.802 52.135 53.050 -0.188 0.000 0.935 133 N CB -0.002 38.435 38.487 -0.082 0.000 1.132 133 N HN 0.304 8.577 8.380 -0.177 0.000 0.511 134 A N 3.987 126.651 122.820 -0.260 0.000 2.380 134 A HA 0.333 4.653 4.320 0.000 0.000 0.315 134 A C -1.163 176.398 177.584 -0.038 0.000 1.101 134 A CA -0.621 51.309 52.037 -0.179 0.000 0.771 134 A CB 2.162 20.881 19.000 -0.468 0.000 1.287 134 A HN -0.076 7.916 8.150 -0.264 0.000 0.436 135 T N 0.389 114.979 114.554 0.059 0.000 2.885 135 T HA 0.067 4.426 4.350 0.014 0.000 0.285 135 T C 0.318 175.055 174.700 0.060 0.000 1.019 135 T CA -1.019 61.106 62.100 0.042 0.000 1.010 135 T CB 1.413 70.309 68.868 0.046 0.000 1.022 135 T HN 0.027 8.347 8.240 0.134 0.000 0.466 136 G N 4.019 112.840 108.800 0.036 0.000 2.184 136 G HA2 -0.145 3.834 3.960 0.031 0.000 0.206 136 G HA3 -0.145 3.847 3.960 0.053 0.000 0.206 136 G C -1.308 173.611 174.900 0.033 0.000 0.995 136 G CA -0.134 44.990 45.100 0.039 0.000 0.651 136 G HN 0.457 8.760 8.290 0.022 0.000 0.511 137 G N -1.304 107.508 108.800 0.020 0.000 2.788 137 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.686 137 G HA3 -0.293 3.676 3.960 0.016 0.000 0.686 137 G C -2.373 172.536 174.900 0.014 0.000 1.147 137 G CA -0.532 44.575 45.100 0.011 0.000 0.755 137 G HN -0.463 7.834 8.290 0.011 0.000 0.634 138 L N 2.522 123.743 121.223 -0.004 0.000 2.362 138 L HA 0.437 4.786 4.340 0.015 0.000 0.271 138 L C -2.024 174.849 176.870 0.006 0.000 1.002 138 L CA -3.138 51.699 54.840 -0.005 0.000 0.818 138 L CB 2.238 44.268 42.059 -0.050 0.000 1.298 138 L HN -0.329 8.136 8.230 -0.010 -0.240 0.420 139 P HA 0.107 4.535 4.420 0.014 0.000 0.275 139 P C -1.598 175.708 177.300 0.009 0.000 1.227 139 P CA -0.440 62.669 63.100 0.015 0.000 0.781 139 P CB 0.276 31.990 31.700 0.023 0.000 0.906 140 T N -2.752 111.806 114.554 0.007 0.000 2.907 140 T HA 0.103 4.581 4.350 0.008 -0.123 0.292 140 T C -0.111 174.590 174.700 0.002 0.000 1.043 140 T CA -2.626 59.478 62.100 0.006 0.000 1.003 140 T CB 3.198 72.071 68.868 0.008 0.000 1.084 140 T HN -0.332 7.912 8.240 0.007 0.000 0.483 141 I N 2.878 123.448 120.570 0.001 0.000 2.588 141 I HA 0.105 4.267 4.170 -0.013 0.000 0.283 141 I C -1.986 174.116 176.117 -0.025 0.000 1.119 141 I CA -2.626 58.667 61.300 -0.012 0.000 1.419 141 I CB 1.121 39.115 38.000 -0.010 0.000 1.394 141 I HN -0.154 8.060 8.210 0.006 0.000 0.562 142 P HA 0.078 4.473 4.420 -0.041 0.000 0.271 142 P C -1.813 175.428 177.300 -0.098 0.000 1.220 142 P CA -0.214 62.853 63.100 -0.055 0.000 0.768 142 P CB 0.536 32.203 31.700 -0.055 0.000 0.848 143 I N 2.479 122.994 120.570 -0.092 0.000 2.478 143 I HA 0.150 4.165 4.170 -0.257 0.000 0.287 143 I C -1.325 174.723 176.117 -0.115 0.000 1.042 143 I CA -0.421 60.793 61.300 -0.144 0.000 1.067 143 I CB 3.420 41.391 38.000 -0.048 0.000 1.233 143 I HN -0.016 8.157 8.210 -0.061 0.000 0.431 144 N N 7.674 126.255 118.700 -0.197 0.000 2.621 144 N HA 0.124 4.843 4.740 -0.036 0.000 0.237 144 N C 0.078 175.598 175.510 0.017 0.000 0.997 144 N CA -1.450 51.548 53.050 -0.087 0.000 0.918 144 N CB 0.195 38.626 38.487 -0.093 0.000 1.122 144 N HN 0.264 8.436 8.380 -0.347 0.000 0.510 145 A N 5.259 128.157 122.820 0.129 0.000 2.172 145 A HA -0.087 4.549 4.320 0.526 0.000 0.216 145 A C 0.864 178.569 177.584 0.201 0.000 1.154 145 A CA 2.095 54.293 52.037 0.269 0.000 0.701 145 A CB -0.045 19.051 19.000 0.160 0.000 0.789 145 A HN 0.750 8.952 8.150 0.087 0.000 0.465 146 R N -4.445 116.129 120.500 0.123 0.000 2.334 146 R HA 0.092 4.480 4.340 0.080 0.000 0.216 146 R C -0.315 176.036 176.300 0.085 0.000 0.905 146 R CA -0.404 55.747 56.100 0.085 0.000 1.064 146 R CB 0.862 31.192 30.300 0.050 0.000 1.046 146 R HN -0.537 7.992 8.270 0.093 -0.203 0.508 147 R N 1.711 122.275 120.500 0.106 0.000 2.347 147 R HA -0.104 4.257 4.340 0.035 0.000 0.304 147 R C -0.712 175.642 176.300 0.090 0.000 1.072 147 R CA -0.065 56.073 56.100 0.063 0.000 0.980 147 R CB -0.033 30.262 30.300 -0.008 0.000 0.986 147 R HN -0.632 7.674 8.270 0.125 0.038 0.448 148 V N 8.289 128.183 119.914 -0.033 0.000 2.348 148 V HA 0.233 4.315 4.120 -0.064 0.000 0.270 148 V C -1.231 174.627 176.094 -0.393 0.000 1.037 148 V CA -2.903 59.298 62.300 -0.165 0.000 0.872 148 V CB 0.628 32.331 31.823 -0.200 0.000 1.002 148 V HN 0.139 8.302 8.190 -0.044 0.000 0.464 149 P HA 0.041 4.390 4.420 -0.119 0.000 0.268 149 P C -1.632 175.503 177.300 -0.274 0.000 1.204 149 P CA -0.259 62.749 63.100 -0.153 0.000 0.768 149 P CB 0.631 32.343 31.700 0.019 0.000 0.842 150 H N 2.372 121.468 119.070 0.043 0.000 2.622 150 H HA 0.260 4.836 4.556 0.033 0.000 0.363 150 H C -0.103 175.239 175.328 0.024 0.000 1.151 150 H CA -1.506 54.560 56.048 0.031 0.000 1.184 150 H CB 4.113 33.890 29.762 0.024 0.000 1.643 150 H HN -0.159 8.380 8.280 0.009 -0.254 0.531 151 I N 2.426 123.094 120.570 0.163 0.000 2.668 151 I HA -0.561 3.775 4.170 0.071 -0.124 0.285 151 I C 1.223 177.380 176.117 0.067 0.000 1.168 151 I CA 2.145 63.497 61.300 0.087 0.000 1.424 151 I CB -0.771 37.269 38.000 0.066 0.000 1.377 151 I HN 0.605 8.923 8.210 0.181 0.000 0.560 152 G N 7.152 115.977 108.800 0.042 0.000 2.238 152 G HA2 -0.368 3.600 3.960 0.015 0.000 0.217 152 G HA3 -0.368 3.609 3.960 0.028 0.000 0.217 152 G C -0.398 174.517 174.900 0.026 0.000 0.996 152 G CA -0.568 44.548 45.100 0.027 0.000 0.632 152 G HN 0.445 8.754 8.290 0.033 0.000 0.503 153 D N 2.780 123.206 120.400 0.043 0.000 2.493 153 D HA -0.097 4.564 4.640 0.035 0.000 0.240 153 D C 0.043 176.331 176.300 -0.021 0.000 1.142 153 D CA 1.591 55.608 54.000 0.028 0.000 0.872 153 D CB 0.404 41.229 40.800 0.041 0.000 1.173 153 D HN -0.400 7.946 8.370 0.065 0.063 0.467 154 V N 2.750 122.635 119.914 -0.049 0.000 2.585 154 V HA -0.025 4.173 4.120 -0.127 -0.154 0.296 154 V C -0.052 175.939 176.094 -0.172 0.000 1.035 154 V CA 1.132 63.349 62.300 -0.139 0.000 1.084 154 V CB 0.136 31.828 31.823 -0.218 0.000 0.953 154 V HN 0.151 8.325 8.190 -0.028 0.000 0.483 155 V N 0.374 120.179 119.914 -0.182 0.000 2.962 155 V HA 0.989 5.182 4.120 -0.154 -0.165 0.313 155 V C -1.641 174.349 176.094 -0.174 0.000 1.099 155 V CA -3.306 58.903 62.300 -0.152 0.000 0.971 155 V CB 3.944 35.717 31.823 -0.083 0.000 1.028 155 V HN 0.366 8.345 8.190 -0.176 0.105 0.430 156 L N 0.542 121.682 121.223 -0.137 0.000 2.341 156 L HA 0.868 5.347 4.340 -0.109 -0.204 0.278 156 L C -1.087 175.746 176.870 -0.061 0.000 1.005 156 L CA -2.075 52.703 54.840 -0.104 0.000 0.818 156 L CB 3.154 45.159 42.059 -0.090 0.000 1.259 156 L HN 0.461 8.620 8.230 -0.118 0.000 0.418 157 A N 3.158 125.950 122.820 -0.047 0.000 2.301 157 A HA 0.862 5.336 4.320 -0.030 -0.172 0.312 157 A C -1.377 176.193 177.584 -0.024 0.000 1.182 157 A CA -1.909 50.108 52.037 -0.032 0.000 0.826 157 A CB 2.300 21.281 19.000 -0.033 0.000 1.134 157 A HN 0.532 8.654 8.150 -0.047 0.000 0.501 158 I N 2.384 122.941 120.570 -0.021 0.000 2.439 158 I HA 0.752 5.116 4.170 -0.012 -0.202 0.285 158 I C -0.813 175.291 176.117 -0.023 0.000 1.021 158 I CA -1.337 59.953 61.300 -0.016 0.000 1.091 158 I CB 2.051 40.044 38.000 -0.012 0.000 1.242 158 I HN 0.261 8.459 8.210 -0.021 0.000 0.439 159 G N 5.086 113.870 108.800 -0.028 0.000 2.634 159 G HA2 0.338 4.268 3.960 -0.050 0.000 0.309 159 G HA3 0.338 4.263 3.960 -0.060 0.000 0.309 159 G C -3.257 171.613 174.900 -0.050 0.000 1.299 159 G CA 0.391 45.462 45.100 -0.048 0.000 0.798 159 G HN -0.165 8.113 8.290 -0.021 0.000 0.490 160 N N 0.410 119.059 118.700 -0.085 0.000 2.886 160 N HA 0.674 5.392 4.740 -0.036 0.000 0.285 160 N C -2.038 173.413 175.510 -0.098 0.000 1.706 160 N CA -3.784 49.220 53.050 -0.076 0.000 0.904 160 N CB 1.694 40.116 38.487 -0.109 0.000 1.224 160 N HN -0.172 8.141 8.380 -0.113 0.000 0.488 161 P HA 0.137 4.595 4.420 -0.275 -0.203 0.271 161 P C 0.137 177.448 177.300 0.019 0.000 1.220 161 P CA 0.110 63.134 63.100 -0.128 0.000 0.768 161 P CB 0.068 31.750 31.700 -0.029 0.000 0.848 162 Y N -0.471 119.842 120.300 0.022 0.000 3.978 162 Y HA -0.524 4.111 4.550 0.141 0.000 0.219 162 Y C -0.900 175.037 175.900 0.062 0.000 1.153 162 Y CA 1.209 59.358 58.100 0.082 0.000 1.718 162 Y CB -2.582 35.928 38.460 0.082 0.000 1.541 162 Y HN 0.279 8.286 8.280 -0.456 0.000 0.640 163 N N -3.373 115.399 118.700 0.119 0.000 2.708 163 N HA -0.363 4.576 4.740 0.087 -0.146 0.249 163 N C 0.276 175.863 175.510 0.128 0.000 1.097 163 N CA 1.134 54.258 53.050 0.123 0.000 0.710 163 N CB -0.808 37.783 38.487 0.175 0.000 1.032 163 N HN -0.400 7.966 8.380 0.031 0.033 0.551 164 L N -2.209 119.086 121.223 0.121 0.000 2.395 164 L HA -0.130 4.267 4.340 0.096 0.000 0.218 164 L C 0.924 177.839 176.870 0.076 0.000 1.130 164 L CA 1.176 56.076 54.840 0.100 0.000 0.826 164 L CB 0.359 42.482 42.059 0.106 0.000 0.941 164 L HN -0.467 7.816 8.230 0.127 0.023 0.451 165 G N -3.294 105.548 108.800 0.070 0.000 2.497 165 G HA2 -0.279 3.719 3.960 0.064 0.000 0.686 165 G HA3 -0.279 3.714 3.960 0.055 0.000 0.686 165 G C -2.262 172.661 174.900 0.038 0.000 1.288 165 G CA -0.949 44.186 45.100 0.057 0.000 0.899 165 G HN -0.539 8.035 8.290 0.070 -0.242 0.608 166 Q N 1.678 121.495 119.800 0.030 0.000 2.269 166 Q HA -0.070 4.489 4.340 0.006 -0.216 0.300 166 Q C -0.229 175.783 176.000 0.021 0.000 1.070 166 Q CA 1.357 57.170 55.803 0.017 0.000 0.957 166 Q CB 0.499 29.248 28.738 0.018 0.000 1.131 166 Q HN 0.345 8.635 8.270 0.034 0.000 0.377 167 T N 9.178 123.741 114.554 0.014 0.000 2.848 167 T HA 0.254 4.619 4.350 0.025 0.000 0.285 167 T C -1.819 172.889 174.700 0.012 0.000 0.995 167 T CA -0.820 61.292 62.100 0.020 0.000 0.970 167 T CB 1.979 70.863 68.868 0.028 0.000 0.976 167 T HN 0.544 8.787 8.240 0.005 0.000 0.441 168 I N 4.991 125.571 120.570 0.018 0.000 2.377 168 I HA 0.819 5.207 4.170 0.004 -0.215 0.293 168 I C 0.191 176.317 176.117 0.015 0.000 0.987 168 I CA -2.387 58.921 61.300 0.014 0.000 1.185 168 I CB 0.739 38.753 38.000 0.024 0.000 1.341 168 I HN 0.350 8.574 8.210 0.023 0.000 0.455 169 T N 4.207 118.761 114.554 0.000 0.000 2.916 169 T HA 0.371 4.727 4.350 0.011 0.000 0.292 169 T C -1.948 172.737 174.700 -0.025 0.000 1.055 169 T CA -2.067 60.032 62.100 -0.002 0.000 1.009 169 T CB 2.552 71.418 68.868 -0.004 0.000 1.118 169 T HN 0.141 8.376 8.240 -0.009 0.000 0.497 170 Q N 4.045 123.829 119.800 -0.026 0.000 2.375 170 Q HA 0.807 5.256 4.340 -0.104 -0.172 0.271 170 Q C -1.075 174.887 176.000 -0.063 0.000 1.074 170 Q CA -1.191 54.572 55.803 -0.068 0.000 0.808 170 Q CB 3.654 32.360 28.738 -0.053 0.000 1.327 170 Q HN 0.034 8.298 8.270 -0.010 0.000 0.441 171 G N 3.614 112.359 108.800 -0.092 0.000 2.677 171 G HA2 0.692 4.619 3.960 -0.055 0.000 0.283 171 G HA3 0.692 4.790 3.960 -0.066 -0.177 0.283 171 G C -2.719 172.130 174.900 -0.083 0.000 1.221 171 G CA 0.403 45.460 45.100 -0.071 0.000 0.851 171 G HN 0.308 8.524 8.290 -0.124 0.000 0.504 172 I N -5.765 114.768 120.570 -0.062 0.000 3.145 172 I HA 0.972 5.281 4.170 -0.061 -0.175 0.313 172 I C -0.920 175.174 176.117 -0.038 0.000 1.122 172 I CA -2.769 58.502 61.300 -0.050 0.000 0.987 172 I CB 4.515 42.497 38.000 -0.030 0.000 1.236 172 I HN 0.588 9.108 8.210 -0.058 -0.345 0.453 173 I N 1.474 122.034 120.570 -0.017 0.000 2.436 173 I HA -0.014 4.273 4.170 -0.006 -0.120 0.289 173 I C 0.525 176.643 176.117 0.003 0.000 1.083 173 I CA 0.833 62.134 61.300 0.001 0.000 1.372 173 I CB -0.761 37.255 38.000 0.027 0.000 1.408 173 I HN 0.031 8.234 8.210 -0.012 0.000 0.516 174 S N 9.269 124.962 115.700 -0.011 0.000 2.446 174 S HA -0.056 4.406 4.470 -0.014 0.000 0.225 174 S C -0.864 173.745 174.600 0.015 0.000 1.016 174 S CA 1.371 59.563 58.200 -0.014 0.000 0.943 174 S CB 0.511 63.680 63.200 -0.052 0.000 0.786 174 S HN 0.636 8.825 8.310 -0.023 0.107 0.508 175 A N -2.294 120.550 122.820 0.040 0.000 2.590 175 A HA 0.257 4.613 4.320 0.060 0.000 0.294 175 A C -2.740 174.898 177.584 0.091 0.000 1.046 175 A CA 0.366 52.444 52.037 0.067 0.000 0.684 175 A CB 2.054 21.103 19.000 0.082 0.000 1.279 175 A HN -0.884 7.290 8.150 0.040 0.000 0.415 176 T N -1.466 113.141 114.554 0.088 0.000 3.401 176 T HA 0.104 4.515 4.350 0.101 0.000 0.341 176 T C 0.228 174.976 174.700 0.080 0.000 1.674 176 T CA -1.868 60.284 62.100 0.086 0.000 1.600 176 T CB 0.239 69.145 68.868 0.065 0.000 0.974 176 T HN 0.217 8.505 8.240 0.080 0.000 0.672 177 G N 3.920 112.787 108.800 0.111 0.000 2.707 177 G HA2 -0.336 3.794 3.960 0.107 0.000 0.686 177 G HA3 -0.336 3.686 3.960 0.055 -0.029 0.686 177 G C -1.620 173.331 174.900 0.084 0.000 1.315 177 G CA -0.378 44.776 45.100 0.089 0.000 0.832 177 G HN 0.085 8.465 8.290 0.150 0.000 0.573 178 R N -0.441 120.098 120.500 0.066 0.000 2.673 178 R HA 0.371 4.747 4.340 0.060 0.000 0.281 178 R C -0.973 175.347 176.300 0.034 0.000 0.991 178 R CA -2.052 54.083 56.100 0.059 0.000 0.896 178 R CB 2.128 32.473 30.300 0.075 0.000 1.201 178 R HN -0.047 8.150 8.270 0.053 0.104 0.457 179 I N 0.953 121.541 120.570 0.030 0.000 2.339 179 I HA -0.014 4.164 4.170 0.014 0.000 0.245 179 I C 1.163 177.291 176.117 0.017 0.000 1.096 179 I CA 0.895 62.206 61.300 0.019 0.000 1.408 179 I CB 0.011 38.022 38.000 0.018 0.000 1.092 179 I HN 0.369 8.599 8.210 0.034 0.000 0.423 180 G N -1.637 107.177 108.800 0.023 0.000 2.488 180 G HA2 0.191 4.160 3.960 0.015 0.000 0.318 180 G HA3 0.191 4.164 3.960 0.021 0.000 0.318 180 G C -1.416 173.499 174.900 0.024 0.000 1.188 180 G CA -0.827 44.286 45.100 0.020 0.000 0.944 180 G HN -0.568 7.738 8.290 0.028 0.000 0.495 181 L N -1.161 120.074 121.223 0.020 0.000 2.456 181 L HA -0.072 4.281 4.340 0.020 0.000 0.272 181 L C -0.131 176.758 176.870 0.032 0.000 1.189 181 L CA 0.630 55.483 54.840 0.022 0.000 0.846 181 L CB -0.143 41.926 42.059 0.016 0.000 1.111 181 L HN 0.066 8.307 8.230 0.017 0.000 0.475 182 N N 2.552 121.275 118.700 0.037 0.000 3.020 182 N HA 0.283 5.055 4.740 0.053 0.000 0.248 182 N C -1.872 173.669 175.510 0.051 0.000 1.480 182 N CA -0.869 52.212 53.050 0.052 0.000 0.874 182 N CB 0.231 38.758 38.487 0.066 0.000 1.433 182 N HN -0.347 8.052 8.380 0.033 0.000 0.530 183 P HA -0.061 4.392 4.420 0.054 0.000 0.225 183 P C -0.061 177.244 177.300 0.008 0.000 1.148 183 P CA 1.752 64.896 63.100 0.074 0.000 0.779 183 P CB 0.143 31.957 31.700 0.191 0.000 0.780 184 T N -6.185 108.351 114.554 -0.031 0.000 2.951 184 T HA -0.177 4.045 4.350 -0.213 0.000 0.268 184 T C 1.298 176.005 174.700 0.011 0.000 1.073 184 T CA 0.686 62.714 62.100 -0.119 0.000 1.134 184 T CB 0.530 69.275 68.868 -0.204 0.000 0.884 184 T HN -0.233 8.317 8.240 -0.002 -0.311 0.479 185 G N 1.441 110.257 108.800 0.026 0.000 2.176 185 G HA2 -0.352 3.618 3.960 0.017 0.000 0.253 185 G HA3 -0.352 3.619 3.960 0.019 0.000 0.253 185 G C -0.597 174.315 174.900 0.021 0.000 0.979 185 G CA -0.070 45.044 45.100 0.023 0.000 0.641 185 G HN -0.380 7.906 8.290 0.026 0.020 0.530 186 R N -2.279 118.248 120.500 0.044 0.000 2.912 186 R HA 0.361 4.668 4.340 -0.056 0.000 0.262 186 R C -1.468 174.824 176.300 -0.012 0.000 1.057 186 R CA -2.248 53.833 56.100 -0.032 0.000 0.981 186 R CB 2.127 32.319 30.300 -0.180 0.000 1.201 186 R HN -0.505 7.761 8.270 0.087 0.056 0.484 187 Q N -2.541 117.217 119.800 -0.070 0.000 2.189 187 Q HA 0.147 4.494 4.340 0.012 0.000 0.223 187 Q C -0.074 175.901 176.000 -0.041 0.000 0.828 187 Q CA 0.345 56.131 55.803 -0.028 0.000 0.967 187 Q CB 1.224 29.943 28.738 -0.032 0.000 1.139 187 Q HN 0.447 8.645 8.270 -0.121 0.000 0.497 188 N N -2.608 116.015 118.700 -0.128 0.000 2.170 188 N HA 0.013 4.718 4.740 -0.057 0.000 0.222 188 N C -1.229 174.226 175.510 -0.092 0.000 1.218 188 N CA -1.122 51.854 53.050 -0.123 0.000 0.889 188 N CB -0.723 37.657 38.487 -0.177 0.000 1.083 188 N HN -0.075 8.171 8.380 -0.224 0.000 0.520 189 F N 0.112 120.084 119.950 0.037 0.000 2.529 189 F HA -0.110 4.590 4.527 0.086 -0.121 0.365 189 F C -0.207 175.669 175.800 0.127 0.000 1.102 189 F CA 1.015 59.072 58.000 0.095 0.000 1.271 189 F CB 0.399 39.476 39.000 0.128 0.000 1.120 189 F HN -0.658 7.658 8.300 0.025 0.000 0.579 190 L N 1.694 123.130 121.223 0.355 0.000 2.331 190 L HA 0.108 4.721 4.340 0.193 -0.157 0.278 190 L C -0.692 176.329 176.870 0.252 0.000 1.106 190 L CA -0.487 54.495 54.840 0.237 0.000 0.824 190 L CB 0.249 42.407 42.059 0.165 0.000 1.142 190 L HN 0.146 8.589 8.230 0.355 0.000 0.443 191 Q N 4.363 124.259 119.800 0.160 0.000 2.235 191 Q HA 0.785 5.256 4.340 -0.085 -0.182 0.256 191 Q C -0.907 175.049 176.000 -0.074 0.000 0.951 191 Q CA -1.418 54.383 55.803 -0.002 0.000 0.890 191 Q CB 3.383 32.128 28.738 0.011 0.000 1.279 191 Q HN 0.168 8.525 8.270 0.144 0.000 0.444 192 T N 3.599 118.047 114.554 -0.177 0.000 2.894 192 T HA 0.644 5.085 4.350 -0.091 -0.145 0.309 192 T C -1.740 172.863 174.700 -0.161 0.000 1.208 192 T CA -2.580 59.444 62.100 -0.125 0.000 1.016 192 T CB 1.557 70.375 68.868 -0.083 0.000 1.192 192 T HN 0.594 8.659 8.240 -0.293 0.000 0.491 193 D N 3.493 123.826 120.400 -0.113 0.000 2.402 193 D HA 0.183 4.799 4.640 -0.125 -0.050 0.216 193 D C 0.087 176.341 176.300 -0.077 0.000 1.128 193 D CA -1.749 52.189 54.000 -0.102 0.000 0.833 193 D CB -0.160 40.591 40.800 -0.082 0.000 0.971 193 D HN -0.056 8.259 8.370 -0.091 0.000 0.503 194 A N 1.406 124.181 122.820 -0.075 0.000 2.522 194 A HA -0.188 4.256 4.320 -0.051 -0.155 0.256 194 A C -0.518 177.035 177.584 -0.052 0.000 1.086 194 A CA 0.820 52.822 52.037 -0.059 0.000 0.763 194 A CB 0.259 19.223 19.000 -0.061 0.000 1.024 194 A HN -0.755 7.303 8.150 -0.080 0.045 0.502 195 S N 1.774 117.454 115.700 -0.032 0.000 2.555 195 S HA -0.133 4.323 4.470 -0.024 0.000 0.293 195 S C -0.854 173.736 174.600 -0.018 0.000 1.248 195 S CA 0.933 59.122 58.200 -0.018 0.000 1.096 195 S CB -0.113 63.090 63.200 0.004 0.000 0.881 195 S HN 0.118 8.412 8.310 -0.026 0.000 0.498 196 I N 6.718 127.273 120.570 -0.025 0.000 2.433 196 I HA 0.054 4.205 4.170 -0.032 0.000 0.292 196 I C -1.630 174.476 176.117 -0.019 0.000 1.001 196 I CA -1.508 59.774 61.300 -0.030 0.000 1.119 196 I CB 1.405 39.378 38.000 -0.045 0.000 1.289 196 I HN 0.208 8.401 8.210 -0.028 0.000 0.438 197 N N 4.388 123.060 118.700 -0.047 0.000 2.629 197 N HA 0.298 5.024 4.740 -0.024 0.000 0.279 197 N C -1.615 173.779 175.510 -0.193 0.000 1.344 197 N CA -1.829 51.172 53.050 -0.081 0.000 0.789 197 N CB 4.241 42.701 38.487 -0.045 0.000 1.508 197 N HN 0.047 8.695 8.380 -0.066 -0.308 0.516 198 H N 0.161 118.979 119.070 -0.421 0.000 3.070 198 H HA -0.238 4.165 4.556 -0.255 0.000 0.313 198 H C 0.759 175.821 175.328 -0.443 0.000 0.997 198 H CA 2.478 58.276 56.048 -0.417 0.000 1.438 198 H CB 0.524 30.014 29.762 -0.453 0.000 1.455 198 H HN 0.427 8.550 8.280 -0.263 0.000 0.575 199 G N 5.767 114.134 108.800 -0.722 0.000 2.238 199 G HA2 -0.444 3.356 3.960 -0.563 0.000 0.217 199 G HA3 -0.444 3.361 3.960 -0.489 -0.138 0.217 199 G C -0.621 174.107 174.900 -0.287 0.000 0.996 199 G CA 0.034 44.818 45.100 -0.526 0.000 0.632 199 G HN 0.348 8.249 8.290 -0.649 0.000 0.503 203 G N 1.101 109.893 108.800 -0.014 0.000 2.563 203 G HA2 0.380 4.330 3.960 -0.016 0.000 0.283 203 G HA3 0.380 4.458 3.960 -0.027 -0.134 0.283 203 G C -2.272 172.629 174.900 0.003 0.000 1.309 203 G CA -0.940 44.151 45.100 -0.015 0.000 1.022 203 G HN -0.514 7.763 8.290 -0.022 0.000 0.501 204 A N -2.249 120.570 122.820 -0.002 0.000 2.312 204 A HA 0.594 5.052 4.320 0.015 -0.129 0.326 204 A C -2.177 175.405 177.584 -0.004 0.000 1.172 204 A CA -1.736 50.302 52.037 0.003 0.000 0.821 204 A CB 2.813 21.810 19.000 -0.005 0.000 1.166 204 A HN -0.211 7.933 8.150 -0.009 0.000 0.493 205 L N 3.776 125.001 121.223 0.004 0.000 2.305 205 L HA 0.936 5.473 4.340 -0.021 -0.210 0.284 205 L C -1.623 175.231 176.870 -0.027 0.000 1.013 205 L CA -1.277 53.558 54.840 -0.009 0.000 0.819 205 L CB 3.177 45.243 42.059 0.011 0.000 1.227 205 L HN 0.057 8.297 8.230 0.018 0.000 0.417 206 V N 1.217 121.102 119.914 -0.049 0.000 3.001 206 V HA 1.002 5.230 4.120 -0.082 -0.157 0.314 206 V C -1.488 174.557 176.094 -0.081 0.000 1.099 206 V CA -3.838 58.420 62.300 -0.070 0.000 0.989 206 V CB 3.817 35.602 31.823 -0.063 0.000 1.040 206 V HN 0.573 8.732 8.190 -0.052 0.000 0.434 207 N N 0.627 119.276 118.700 -0.085 0.000 2.431 207 N HA 0.484 5.332 4.740 -0.096 -0.165 0.289 207 N C 2.015 177.480 175.510 -0.074 0.000 1.277 207 N CA -1.532 51.469 53.050 -0.082 0.000 0.972 207 N CB 0.746 39.197 38.487 -0.061 0.000 1.143 207 N HN -0.128 8.196 8.380 -0.093 0.000 0.578 208 S N -0.965 114.702 115.700 -0.054 0.000 2.474 208 S HA -0.191 4.281 4.470 0.002 0.000 0.235 208 S C 0.711 175.344 174.600 0.056 0.000 0.997 208 S CA 2.539 60.753 58.200 0.024 0.000 0.949 208 S CB -0.684 62.585 63.200 0.116 0.000 0.766 208 S HN 0.373 8.654 8.310 -0.048 0.000 0.517 209 L N -2.712 118.518 121.223 0.012 0.000 2.607 209 L HA 0.211 4.565 4.340 0.024 0.000 0.228 209 L C 0.793 177.656 176.870 -0.011 0.000 1.123 209 L CA -0.263 54.581 54.840 0.007 0.000 0.890 209 L CB -0.000 42.055 42.059 -0.006 0.000 1.103 209 L HN -0.733 7.669 8.230 -0.008 -0.177 0.468 210 G N -1.841 106.945 108.800 -0.023 0.000 2.176 210 G HA2 -0.479 3.462 3.960 -0.031 0.000 0.253 210 G HA3 -0.479 3.467 3.960 -0.023 0.000 0.253 210 G C -0.429 174.431 174.900 -0.068 0.000 0.979 210 G CA 0.054 45.133 45.100 -0.034 0.000 0.641 210 G HN -0.306 7.858 8.290 -0.025 0.110 0.530 211 E N 0.077 120.220 120.200 -0.096 0.000 2.360 211 E HA -0.185 4.201 4.350 -0.160 -0.133 0.269 211 E C -0.614 175.857 176.600 -0.214 0.000 1.022 211 E CA -0.373 55.927 56.400 -0.166 0.000 0.887 211 E CB 0.785 30.372 29.700 -0.189 0.000 0.990 211 E HN -0.605 7.875 8.360 -0.083 -0.170 0.426 212 L N 5.035 126.094 121.223 -0.273 0.000 2.462 212 L HA -0.211 4.152 4.340 -0.149 -0.112 0.272 212 L C -0.849 175.786 176.870 -0.392 0.000 1.166 212 L CA 1.364 56.053 54.840 -0.252 0.000 0.880 212 L CB 0.265 42.215 42.059 -0.181 0.000 1.142 212 L HN 0.005 8.071 8.230 -0.274 0.000 0.473 213 M N 3.958 123.482 119.600 -0.126 0.000 2.657 213 M HA 0.182 4.689 4.480 0.045 0.000 0.262 213 M C 0.073 176.514 176.300 0.235 0.000 1.213 213 M CA 0.225 55.552 55.300 0.045 0.000 1.182 213 M CB 1.898 34.515 32.600 0.028 0.000 1.303 213 M HN 0.690 8.936 8.290 -0.072 0.000 0.501 214 G N -4.075 104.812 108.800 0.145 0.000 2.495 214 G HA2 0.350 4.582 3.960 0.210 0.000 0.294 214 G HA3 0.350 4.419 3.960 0.157 -0.015 0.294 214 G C -2.956 172.011 174.900 0.111 0.000 1.397 214 G CA 0.410 45.608 45.100 0.163 0.000 0.790 214 G HN -0.540 7.798 8.290 0.081 0.000 0.486 215 I N -0.960 119.680 120.570 0.116 0.000 2.330 215 I HA 0.590 4.979 4.170 0.069 -0.177 0.289 215 I C -0.698 175.480 176.117 0.102 0.000 1.001 215 I CA -3.597 57.757 61.300 0.091 0.000 1.193 215 I CB 0.393 38.445 38.000 0.086 0.000 1.345 215 I HN 0.121 8.411 8.210 0.133 0.000 0.461 216 N N 8.461 127.201 118.700 0.068 0.000 2.483 216 N HA 0.020 4.946 4.740 0.081 -0.137 0.264 216 N C 0.045 175.597 175.510 0.071 0.000 1.197 216 N CA 1.304 54.391 53.050 0.062 0.000 0.927 216 N CB 0.517 39.014 38.487 0.018 0.000 1.065 216 N HN 0.106 8.514 8.380 0.047 0.000 0.461 217 T N 3.803 118.414 114.554 0.095 0.000 3.250 217 T HA 0.457 5.133 4.350 0.093 -0.271 0.265 217 T C -0.278 174.458 174.700 0.060 0.000 0.973 217 T CA 0.515 62.678 62.100 0.106 0.000 1.040 217 T CB 2.256 71.246 68.868 0.204 0.000 1.167 217 T HN 0.219 8.518 8.240 0.099 0.000 0.471 218 L N 0.258 121.518 121.223 0.062 0.000 2.333 218 L HA 0.336 4.690 4.340 0.022 0.000 0.263 218 L C -2.031 174.916 176.870 0.128 0.000 1.014 218 L CA -1.092 53.789 54.840 0.068 0.000 0.820 218 L CB 3.893 45.955 42.059 0.005 0.000 1.352 218 L HN -0.803 7.477 8.230 0.084 0.000 0.421 219 S N -0.118 115.643 115.700 0.102 0.000 2.532 219 S HA 0.192 4.818 4.470 0.056 -0.122 0.299 219 S C -0.766 173.937 174.600 0.171 0.000 1.105 219 S CA -1.964 56.292 58.200 0.094 0.000 1.018 219 S CB 1.505 64.727 63.200 0.036 0.000 1.021 219 S HN -0.033 8.314 8.310 0.060 0.000 0.483 220 F N 9.464 129.476 119.950 0.103 0.000 2.578 220 F HA -0.177 4.468 4.527 0.198 0.000 0.376 220 F C -1.320 174.512 175.800 0.054 0.000 1.085 220 F CA 1.409 59.493 58.000 0.140 0.000 1.260 220 F CB 0.720 39.796 39.000 0.127 0.000 1.095 220 F HN 0.020 8.502 8.300 0.303 0.000 0.573 228 T N 5.174 119.757 114.554 0.049 0.000 2.727 228 T HA 0.330 4.723 4.350 0.072 0.000 0.295 228 T C -2.257 172.480 174.700 0.062 0.000 0.915 228 T CA -1.037 61.099 62.100 0.059 0.000 1.066 228 T CB 0.705 69.598 68.868 0.042 0.000 0.891 228 T HN -0.214 8.049 8.240 0.038 0.000 0.516 229 P HA 0.108 4.544 4.420 0.027 0.000 0.275 229 P C -1.817 175.506 177.300 0.039 0.000 1.228 229 P CA -0.452 62.692 63.100 0.074 0.000 0.786 229 P CB 0.813 32.633 31.700 0.199 0.000 0.927 230 E N 1.392 121.587 120.200 -0.009 0.000 2.256 230 E HA 0.042 4.391 4.350 -0.001 0.000 0.268 230 E C 0.197 176.767 176.600 -0.049 0.000 0.877 230 E CA -0.636 55.754 56.400 -0.016 0.000 0.757 230 E CB 1.364 31.056 29.700 -0.013 0.000 1.183 230 E HN 0.108 8.447 8.360 -0.034 0.000 0.418 231 G N 2.990 111.759 108.800 -0.052 0.000 2.221 231 G HA2 -0.384 3.530 3.960 -0.076 0.000 0.265 231 G HA3 -0.384 3.531 3.960 -0.075 0.000 0.265 231 G C -1.341 173.475 174.900 -0.140 0.000 1.041 231 G CA 0.519 45.570 45.100 -0.082 0.000 0.807 231 G HN 0.553 8.821 8.290 -0.036 0.000 0.502 232 I N 0.062 120.534 120.570 -0.162 0.000 2.420 232 I HA 0.047 4.005 4.170 -0.353 0.000 0.282 232 I C -1.800 174.073 176.117 -0.407 0.000 1.019 232 I CA -0.554 60.566 61.300 -0.300 0.000 1.130 232 I CB 1.064 38.906 38.000 -0.264 0.000 1.262 232 I HN -0.497 7.646 8.210 -0.112 0.000 0.454 233 G N 5.022 113.457 108.800 -0.607 0.000 2.619 233 G HA2 0.819 4.620 3.960 -0.462 0.000 0.296 233 G HA3 0.819 4.592 3.960 -0.311 0.000 0.296 233 G C -2.645 171.772 174.900 -0.805 0.000 1.334 233 G CA -1.027 43.742 45.100 -0.553 0.000 0.934 233 G HN 0.177 8.113 8.290 -0.589 0.000 0.476 234 F N -1.507 118.371 119.950 -0.119 0.000 2.577 234 F HA 0.970 5.625 4.527 -0.100 -0.188 0.318 234 F C -1.904 173.867 175.800 -0.049 0.000 1.065 234 F CA -2.096 55.796 58.000 -0.180 0.000 0.929 234 F CB 4.965 43.595 39.000 -0.617 0.000 1.237 234 F HN 0.084 8.335 8.300 -0.081 0.000 0.468 235 A N -0.531 122.468 122.820 0.299 0.000 2.486 235 A HA 0.755 5.373 4.320 0.245 -0.151 0.300 235 A C -2.040 175.780 177.584 0.394 0.000 1.048 235 A CA -1.832 50.372 52.037 0.278 0.000 0.696 235 A CB 3.918 23.014 19.000 0.161 0.000 1.278 235 A HN 0.777 9.151 8.150 0.373 0.000 0.405 236 I N 1.435 122.186 120.570 0.301 0.000 2.533 236 I HA 0.230 4.490 4.170 0.149 0.000 0.284 236 I C -1.465 174.727 176.117 0.125 0.000 1.109 236 I CA -3.748 57.658 61.300 0.177 0.000 1.412 236 I CB -0.502 37.562 38.000 0.106 0.000 1.396 236 I HN 0.028 8.395 8.210 0.262 0.000 0.543 237 P HA 0.147 4.787 4.420 0.130 -0.142 0.268 237 P C 1.230 178.541 177.300 0.018 0.000 1.205 237 P CA -0.572 62.561 63.100 0.055 0.000 0.771 237 P CB 0.212 31.890 31.700 -0.036 0.000 0.858 238 F N 2.348 122.300 119.950 0.002 0.000 2.216 238 F HA -0.370 4.157 4.527 0.001 0.000 0.300 238 F C 1.232 177.024 175.800 -0.014 0.000 1.085 238 F CA 3.650 61.648 58.000 -0.004 0.000 1.326 238 F CB -0.833 38.164 39.000 -0.006 0.000 1.027 238 F HN -0.192 8.348 8.300 0.400 0.000 0.497 239 Q N -0.256 118.982 119.800 -0.937 0.000 2.084 239 Q HA -0.370 3.596 4.340 -0.624 0.000 0.202 239 Q C 1.981 177.814 176.000 -0.279 0.000 0.978 239 Q CA 3.383 58.785 55.803 -0.669 0.000 0.844 239 Q CB -0.932 27.406 28.738 -0.666 0.000 0.898 239 Q HN 0.078 7.614 8.270 -1.192 0.018 0.426 240 L N -0.780 120.313 121.223 -0.216 0.000 2.072 240 L HA -0.209 4.054 4.340 -0.129 0.000 0.205 240 L C 1.117 177.939 176.870 -0.079 0.000 1.079 240 L CA 2.399 57.160 54.840 -0.131 0.000 0.752 240 L CB -0.567 41.418 42.059 -0.124 0.000 0.906 240 L HN -0.682 7.405 8.230 -0.238 0.000 0.436 241 A N -1.292 121.502 122.820 -0.043 0.000 1.902 241 A HA -0.377 3.938 4.320 -0.007 0.000 0.217 241 A C 1.862 179.446 177.584 -0.001 0.000 1.181 241 A CA 3.306 55.343 52.037 -0.000 0.000 0.623 241 A CB -0.897 18.133 19.000 0.050 0.000 0.818 241 A HN -0.345 7.780 8.150 -0.042 0.000 0.443 242 T N 0.639 115.197 114.554 0.005 0.000 2.652 242 T HA -0.487 3.874 4.350 0.018 0.000 0.267 242 T C 1.750 176.430 174.700 -0.032 0.000 1.039 242 T CA 5.440 67.543 62.100 0.006 0.000 1.153 242 T CB -0.232 68.656 68.868 0.034 0.000 0.863 242 T HN -0.097 8.148 8.240 0.007 0.000 0.428 243 K N 1.700 122.068 120.400 -0.054 0.000 2.032 243 K HA -0.306 3.980 4.320 -0.056 0.000 0.209 243 K C 2.384 178.950 176.600 -0.057 0.000 1.048 243 K CA 3.305 59.556 56.287 -0.060 0.000 0.927 243 K CB -0.089 32.367 32.500 -0.073 0.000 0.712 243 K HN -0.729 7.481 8.250 -0.067 0.000 0.441 244 I N -1.098 119.440 120.570 -0.054 0.000 2.315 244 I HA -0.385 3.754 4.170 -0.052 0.000 0.248 244 I C 2.028 178.115 176.117 -0.051 0.000 1.117 244 I CA 2.712 63.982 61.300 -0.049 0.000 1.404 244 I CB -0.785 37.190 38.000 -0.042 0.000 1.071 244 I HN -0.050 8.128 8.210 -0.053 0.000 0.419 245 M N 1.143 120.713 119.600 -0.049 0.000 2.086 245 M HA -0.508 3.936 4.480 -0.059 0.000 0.261 245 M C 1.414 177.646 176.300 -0.113 0.000 1.067 245 M CA 4.566 59.826 55.300 -0.068 0.000 1.116 245 M CB -0.166 32.403 32.600 -0.053 0.000 1.348 245 M HN -0.073 8.192 8.290 -0.041 0.000 0.407 246 D N -0.677 119.661 120.400 -0.103 0.000 2.149 246 D HA -0.350 4.195 4.640 -0.159 0.000 0.198 246 D C 2.497 178.735 176.300 -0.103 0.000 0.990 246 D CA 3.635 57.565 54.000 -0.117 0.000 0.839 246 D CB -0.788 39.962 40.800 -0.083 0.000 0.948 246 D HN -0.401 7.920 8.370 -0.081 0.000 0.460 247 K N -0.216 120.137 120.400 -0.078 0.000 2.097 247 K HA -0.202 4.082 4.320 -0.060 0.000 0.205 247 K C 2.168 178.730 176.600 -0.063 0.000 1.050 247 K CA 2.752 59.001 56.287 -0.064 0.000 0.938 247 K CB -0.167 32.302 32.500 -0.053 0.000 0.718 247 K HN -0.731 7.467 8.250 -0.072 0.008 0.442 248 L N -1.751 119.431 121.223 -0.069 0.000 2.109 248 L HA -0.260 4.055 4.340 -0.043 0.000 0.207 248 L C 2.363 179.190 176.870 -0.072 0.000 1.086 248 L CA 2.456 57.263 54.840 -0.056 0.000 0.760 248 L CB 0.003 42.036 42.059 -0.043 0.000 0.910 248 L HN -0.614 7.488 8.230 -0.072 0.085 0.437 249 I N -2.420 118.067 120.570 -0.139 0.000 2.163 249 I HA -0.519 3.545 4.170 -0.177 0.000 0.243 249 I C 2.651 178.701 176.117 -0.112 0.000 1.085 249 I CA 3.626 64.802 61.300 -0.207 0.000 1.347 249 I CB -0.063 37.670 38.000 -0.445 0.000 1.044 249 I HN 0.064 8.178 8.210 -0.160 0.000 0.408 250 R N -1.656 118.787 120.500 -0.095 0.000 2.093 250 R HA -0.156 4.154 4.340 -0.050 0.000 0.224 250 R C 1.279 177.559 176.300 -0.034 0.000 1.101 250 R CA 2.614 58.679 56.100 -0.057 0.000 0.979 250 R CB -0.227 30.041 30.300 -0.054 0.000 0.877 250 R HN -0.693 7.514 8.270 -0.104 0.000 0.441 251 D N -0.600 119.779 120.400 -0.035 0.000 2.363 251 D HA 0.061 4.689 4.640 -0.020 0.000 0.226 251 D C 0.562 176.854 176.300 -0.013 0.000 1.020 251 D CA 0.076 54.062 54.000 -0.023 0.000 0.892 251 D CB -0.408 40.377 40.800 -0.025 0.000 0.900 251 D HN -0.476 7.868 8.370 -0.044 0.000 0.531 252 G N 0.000 108.795 108.800 -0.009 0.000 5.446 252 G HA2 0.000 nan 3.960 nan 0.000 0.244 252 G HA3 0.000 3.970 3.960 0.017 0.000 0.244 252 G CA 0.000 45.105 45.100 0.007 0.000 0.502 252 G HN 0.000 8.207 8.290 -0.016 0.074 0.925