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 2q4j_1_A DATA FIRST_RESID 6 DATA SEQUENCE ENLPQLKSAV DGLTEMSESE KSGFISLVSR YLSGXXXXIE WSKIQTPTDE DATA SEQUENCE IVVPYEKMTP VSQDVAETKN LLDKLVVLKL NGGLGTTMGC TGPKSVIEVR DATA SEQUENCE DGLTFLDLIV IQIENLNNKY GCKVPLVLMN SFNTHDDTHK IVEKYTNSNV DATA SEQUENCE DIHTFNQSKY PRVVADEFVP WPSKGKTDKE GWYPPGHGDV FPALMNSGKL DATA SEQUENCE DTFLSQGKEY VFVANSDNLG AIVDLTILKH LIQNKNEYCM EVTPKTLADV DATA SEQUENCE KGGTLISYEG KVQLLEIAQV PDEHVNEFKS IEKFKIFNTN NLWVNLKAIK DATA SEQUENCE KLVEADALKM EIIPNPKEVD GVKVLQLETA AGAAIRFFDN AIGVNVPRSR DATA SEQUENCE FLPVKASSDL LLVQSDLYTL VDGFVTRNKA RTNPSNPSIE LGPEFKKVAT DATA SEQUENCE FLSRFKSIPS IVELDSLKVS GDVWFGSSIV LKGKVTVAAK SGVKLEIPDR DATA SEQUENCE AVVENKNING PEDL 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 6 E HA 0.000 nan 4.350 nan 0.000 0.291 6 E C 0.000 176.581 176.600 -0.032 0.000 1.382 6 E CA 0.000 56.374 56.400 -0.043 0.000 0.976 6 E CB 0.000 29.672 29.700 -0.048 0.000 0.812 7 N N 1.721 120.407 118.700 -0.024 0.000 6.260 7 N HA -0.225 4.582 4.740 0.111 0.000 0.382 7 N C 0.639 176.140 175.510 -0.015 0.000 0.928 7 N CA 1.753 54.794 53.050 -0.015 0.000 1.195 7 N CB -0.783 37.698 38.487 -0.010 0.000 0.819 7 N HN 0.741 nan 8.380 nan 0.000 0.400 8 L N -6.228 114.991 121.223 -0.007 0.000 3.094 8 L HA 0.274 4.680 4.340 0.111 0.000 0.338 8 L C -1.704 175.168 176.870 0.003 0.000 1.018 8 L CA -0.345 54.492 54.840 -0.005 0.000 1.520 8 L CB -0.537 41.516 42.059 -0.010 0.000 2.533 8 L HN 0.257 nan 8.230 nan 0.000 0.576 9 P HA -0.085 nan 4.420 nan 0.000 0.222 9 P C 1.437 178.748 177.300 0.019 0.000 1.147 9 P CA 1.260 64.366 63.100 0.011 0.000 0.790 9 P CB 0.209 31.914 31.700 0.009 0.000 0.780 10 Q N 0.169 119.983 119.800 0.022 0.000 1.927 10 Q HA -0.189 4.218 4.340 0.111 0.000 0.210 10 Q C 2.005 178.031 176.000 0.045 0.000 1.001 10 Q CA 1.654 57.477 55.803 0.033 0.000 0.862 10 Q CB -1.302 27.457 28.738 0.036 0.000 0.934 10 Q HN 0.153 nan 8.270 nan 0.000 0.420 11 L N 0.323 121.580 121.223 0.055 0.000 2.189 11 L HA -0.257 4.150 4.340 0.111 0.000 0.214 11 L C 2.341 179.241 176.870 0.050 0.000 1.097 11 L CA 1.682 56.563 54.840 0.068 0.000 0.764 11 L CB -0.301 41.808 42.059 0.082 0.000 0.900 11 L HN 0.313 nan 8.230 nan 0.000 0.436 12 K N -0.746 119.673 120.400 0.031 0.000 2.002 12 K HA -0.172 4.215 4.320 0.111 0.000 0.209 12 K C 2.044 178.668 176.600 0.041 0.000 1.048 12 K CA 1.924 58.227 56.287 0.027 0.000 0.930 12 K CB -0.108 32.401 32.500 0.015 0.000 0.714 12 K HN 0.264 nan 8.250 nan 0.000 0.438 13 S N 0.512 116.234 115.700 0.037 0.000 2.402 13 S HA -0.090 4.447 4.470 0.111 0.000 0.229 13 S C 1.944 176.573 174.600 0.048 0.000 1.021 13 S CA 0.975 59.198 58.200 0.038 0.000 0.974 13 S CB -0.192 63.026 63.200 0.030 0.000 0.800 13 S HN 0.520 nan 8.310 nan 0.000 0.484 14 A N 1.019 123.872 122.820 0.055 0.000 1.933 14 A HA -0.041 4.346 4.320 0.111 0.000 0.218 14 A C 2.289 179.920 177.584 0.079 0.000 1.175 14 A CA 1.463 53.538 52.037 0.062 0.000 0.628 14 A CB -0.683 18.358 19.000 0.068 0.000 0.814 14 A HN 0.362 nan 8.150 nan 0.000 0.444 15 V N 0.378 120.351 119.914 0.098 0.000 2.302 15 V HA -0.164 4.023 4.120 0.111 0.000 0.243 15 V C 1.941 178.099 176.094 0.107 0.000 1.036 15 V CA 1.867 64.247 62.300 0.133 0.000 1.020 15 V CB -0.813 31.120 31.823 0.183 0.000 0.657 15 V HN 0.477 nan 8.190 nan 0.000 0.453 16 D N 0.976 121.424 120.400 0.080 0.000 2.322 16 D HA -0.157 4.550 4.640 0.111 0.000 0.210 16 D C 1.946 178.280 176.300 0.057 0.000 0.983 16 D CA 1.604 55.641 54.000 0.062 0.000 0.902 16 D CB -0.263 40.564 40.800 0.045 0.000 0.905 16 D HN 0.544 nan 8.370 nan 0.000 0.483 17 G N -0.277 108.559 108.800 0.061 0.000 2.985 17 G HA2 0.063 4.090 3.960 0.111 0.000 0.209 17 G HA3 0.063 4.090 3.960 0.111 0.000 0.209 17 G C 0.715 175.654 174.900 0.066 0.000 1.165 17 G CA -0.299 44.833 45.100 0.053 0.000 0.776 17 G HN 0.206 nan 8.290 nan 0.000 0.541 18 L N 2.612 123.892 121.223 0.095 0.000 2.312 18 L HA 0.133 4.539 4.340 0.111 0.000 0.287 18 L C 2.194 179.127 176.870 0.106 0.000 1.091 18 L CA -0.191 54.731 54.840 0.138 0.000 0.846 18 L CB 0.867 43.068 42.059 0.238 0.000 1.219 18 L HN 0.239 nan 8.230 nan 0.000 0.439 19 T N -1.478 113.122 114.554 0.077 0.000 2.803 19 T HA -0.235 4.181 4.350 0.111 0.000 0.269 19 T C 1.489 176.195 174.700 0.011 0.000 1.052 19 T CA 1.377 63.500 62.100 0.039 0.000 1.136 19 T CB 0.128 69.013 68.868 0.028 0.000 0.864 19 T HN 0.548 nan 8.240 nan 0.000 0.467 20 E N 1.801 122.012 120.200 0.017 0.000 2.000 20 E HA -0.040 4.377 4.350 0.111 0.000 0.199 20 E C 0.878 177.378 176.600 -0.166 0.000 1.011 20 E CA 0.813 57.149 56.400 -0.106 0.000 0.836 20 E CB -0.714 28.867 29.700 -0.199 0.000 0.778 20 E HN 0.671 nan 8.360 nan 0.000 0.462 21 M N 1.519 121.009 119.600 -0.183 0.000 2.199 21 M HA -0.096 4.450 4.480 0.111 0.000 0.346 21 M C 0.654 176.913 176.300 -0.068 0.000 1.120 21 M CA 0.476 55.690 55.300 -0.144 0.000 0.932 21 M CB 0.084 32.670 32.600 -0.023 0.000 1.724 21 M HN 0.232 nan 8.290 nan 0.000 0.465 22 S N 1.696 117.360 115.700 -0.059 0.000 2.661 22 S HA 0.220 4.756 4.470 0.111 0.000 0.265 22 S C 0.814 175.416 174.600 0.004 0.000 1.225 22 S CA -0.812 57.371 58.200 -0.029 0.000 0.986 22 S CB 1.007 64.188 63.200 -0.031 0.000 1.008 22 S HN 0.696 nan 8.310 nan 0.000 0.565 23 E N 0.779 120.983 120.200 0.008 0.000 2.152 23 E HA -0.077 4.339 4.350 0.111 0.000 0.192 23 E C 2.282 178.901 176.600 0.032 0.000 0.983 23 E CA 1.402 57.814 56.400 0.020 0.000 0.818 23 E CB -0.484 29.224 29.700 0.012 0.000 0.758 23 E HN 0.805 nan 8.360 nan 0.000 0.467 24 S N 0.334 116.053 115.700 0.031 0.000 2.461 24 S HA -0.043 4.494 4.470 0.111 0.000 0.228 24 S C 1.673 176.330 174.600 0.096 0.000 1.005 24 S CA 0.581 58.810 58.200 0.048 0.000 0.942 24 S CB -0.028 63.189 63.200 0.029 0.000 0.776 24 S HN 0.222 nan 8.310 nan 0.000 0.514 25 E N 1.388 121.647 120.200 0.099 0.000 2.140 25 E HA 0.065 4.482 4.350 0.111 0.000 0.191 25 E C 2.036 178.725 176.600 0.149 0.000 0.973 25 E CA 0.459 56.975 56.400 0.194 0.000 0.829 25 E CB -0.032 29.750 29.700 0.138 0.000 0.781 25 E HN 0.521 nan 8.360 nan 0.000 0.466 26 K N 0.952 121.406 120.400 0.088 0.000 2.002 26 K HA -0.115 4.272 4.320 0.111 0.000 0.209 26 K C 2.442 179.086 176.600 0.072 0.000 1.048 26 K CA 1.470 57.808 56.287 0.084 0.000 0.930 26 K CB -0.279 32.263 32.500 0.071 0.000 0.714 26 K HN -0.065 nan 8.250 nan 0.000 0.438 27 S N 0.229 115.965 115.700 0.059 0.000 2.383 27 S HA -0.087 4.450 4.470 0.111 0.000 0.227 27 S C 2.075 176.702 174.600 0.045 0.000 1.026 27 S CA 1.315 59.541 58.200 0.042 0.000 0.981 27 S CB -0.557 62.664 63.200 0.036 0.000 0.818 27 S HN 0.467 nan 8.310 nan 0.000 0.472 28 G N 0.785 109.636 108.800 0.085 0.000 2.459 28 G HA2 -0.227 3.799 3.960 0.111 0.000 0.217 28 G HA3 -0.227 3.799 3.960 0.111 0.000 0.217 28 G C 1.190 176.124 174.900 0.056 0.000 1.183 28 G CA 0.928 46.109 45.100 0.135 0.000 0.776 28 G HN 0.564 nan 8.290 nan 0.000 0.552 29 F N 1.577 121.269 119.950 -0.429 0.000 2.380 29 F HA -0.106 4.488 4.527 0.111 0.000 0.299 29 F C 2.198 177.874 175.800 -0.207 0.000 1.064 29 F CA 0.042 57.637 58.000 -0.675 0.000 1.432 29 F CB -0.022 38.510 39.000 -0.780 0.000 1.089 29 F HN 0.026 nan 8.300 nan 0.000 0.562 30 I N -0.976 119.505 120.570 -0.148 0.000 2.193 30 I HA -0.231 4.006 4.170 0.111 0.000 0.240 30 I C 2.747 178.806 176.117 -0.097 0.000 1.084 30 I CA 1.455 62.661 61.300 -0.157 0.000 1.365 30 I CB -1.718 36.246 38.000 -0.059 0.000 1.064 30 I HN 0.175 nan 8.210 nan 0.000 0.410 31 S N 1.302 116.994 115.700 -0.015 0.000 2.368 31 S HA -0.212 4.325 4.470 0.111 0.000 0.226 31 S C 2.119 176.746 174.600 0.045 0.000 1.044 31 S CA 1.755 59.972 58.200 0.029 0.000 1.062 31 S CB -0.360 62.881 63.200 0.069 0.000 0.931 31 S HN 0.294 nan 8.310 nan 0.000 0.440 32 L N 1.172 122.438 121.223 0.072 0.000 2.012 32 L HA -0.049 4.357 4.340 0.111 0.000 0.210 32 L C 2.580 179.486 176.870 0.061 0.000 1.073 32 L CA 1.356 56.271 54.840 0.126 0.000 0.748 32 L CB -1.125 41.090 42.059 0.259 0.000 0.891 32 L HN 0.193 nan 8.230 nan 0.000 0.431 33 V N -1.289 118.531 119.914 -0.157 0.000 2.358 33 V HA -0.229 3.958 4.120 0.111 0.000 0.246 33 V C 2.561 178.662 176.094 0.011 0.000 1.047 33 V CA 1.756 63.981 62.300 -0.124 0.000 1.035 33 V CB -0.498 31.081 31.823 -0.407 0.000 0.658 33 V HN 0.398 nan 8.190 nan 0.000 0.452 34 S N -0.225 115.455 115.700 -0.032 0.000 2.359 34 S HA -0.209 4.327 4.470 0.111 0.000 0.222 34 S C 2.190 176.804 174.600 0.024 0.000 1.038 34 S CA 1.489 59.685 58.200 -0.006 0.000 1.051 34 S CB -0.299 62.895 63.200 -0.011 0.000 0.944 34 S HN 0.432 nan 8.310 nan 0.000 0.433 35 R N 0.392 120.925 120.500 0.054 0.000 2.070 35 R HA -0.027 4.380 4.340 0.111 0.000 0.232 35 R C 2.056 178.399 176.300 0.073 0.000 1.138 35 R CA 1.536 57.675 56.100 0.065 0.000 0.936 35 R CB -1.572 28.785 30.300 0.095 0.000 0.839 35 R HN 0.543 nan 8.270 nan 0.000 0.429 36 Y N 1.732 122.047 120.300 0.025 0.000 2.173 36 Y HA -0.220 4.397 4.550 0.111 0.000 0.282 36 Y C 2.031 177.925 175.900 -0.009 0.000 1.192 36 Y CA 1.638 59.757 58.100 0.032 0.000 1.176 36 Y CB -0.332 38.172 38.460 0.074 0.000 0.969 36 Y HN -0.011 nan 8.280 nan 0.000 0.519 37 L N -1.519 119.682 121.223 -0.037 0.000 2.418 37 L HA -0.085 4.322 4.340 0.111 0.000 0.218 37 L C 2.302 179.083 176.870 -0.149 0.000 1.125 37 L CA 0.745 55.493 54.840 -0.153 0.000 0.835 37 L CB -0.334 41.685 42.059 -0.066 0.000 0.953 37 L HN 0.111 nan 8.230 nan 0.000 0.454 38 S N -0.932 114.711 115.700 -0.094 0.000 2.355 38 S HA 0.359 4.896 4.470 0.111 0.000 0.216 38 S C 0.833 175.383 174.600 -0.084 0.000 1.037 38 S CA 0.762 58.920 58.200 -0.070 0.000 0.955 38 S CB 0.438 63.621 63.200 -0.029 0.000 0.877 38 S HN 0.556 nan 8.310 nan 0.000 0.488 45 E N 4.434 124.771 120.200 0.229 0.000 2.360 45 E HA 0.016 4.433 4.350 0.111 0.000 0.269 45 E C 0.627 177.379 176.600 0.254 0.000 1.022 45 E CA -0.214 56.321 56.400 0.225 0.000 0.887 45 E CB 1.204 31.022 29.700 0.197 0.000 0.990 45 E HN 0.694 nan 8.360 nan 0.000 0.426 46 W N 3.588 124.919 121.300 0.053 0.000 2.355 46 W HA -0.209 4.518 4.660 0.112 0.000 0.309 46 W C 1.383 177.910 176.519 0.013 0.000 1.206 46 W CA 2.182 59.510 57.345 -0.028 0.000 1.284 46 W CB -0.088 29.225 29.460 -0.245 0.000 1.145 46 W HN 0.473 nan 8.180 nan 0.000 0.502 47 S N 0.444 116.295 115.700 0.251 0.000 2.795 47 S HA -0.062 4.475 4.470 0.111 0.000 0.236 47 S C 0.947 175.556 174.600 0.014 0.000 0.973 47 S CA 0.743 59.030 58.200 0.145 0.000 0.982 47 S CB -0.461 62.842 63.200 0.172 0.000 0.786 47 S HN 0.350 nan 8.310 nan 0.000 0.538 48 K N -0.027 120.357 120.400 -0.026 0.000 2.517 48 K HA 0.390 4.777 4.320 0.111 0.000 0.210 48 K C -0.307 176.212 176.600 -0.135 0.000 1.166 48 K CA -0.230 55.987 56.287 -0.116 0.000 1.030 48 K CB 0.575 32.947 32.500 -0.214 0.000 0.974 48 K HN 0.387 nan 8.250 nan 0.000 0.585 49 I N 2.259 122.796 120.570 -0.055 0.000 2.696 49 I HA -0.011 4.226 4.170 0.111 0.000 0.284 49 I C 0.192 176.281 176.117 -0.047 0.000 1.129 49 I CA 0.252 61.562 61.300 0.017 0.000 1.410 49 I CB 0.496 38.386 38.000 -0.183 0.000 1.399 49 I HN 0.013 nan 8.210 nan 0.000 0.579 50 Q N 3.428 123.241 119.800 0.023 0.000 2.416 50 Q HA 0.391 4.798 4.340 0.111 0.000 0.281 50 Q C -1.034 174.981 176.000 0.024 0.000 1.067 50 Q CA -0.727 55.069 55.803 -0.010 0.000 0.809 50 Q CB 2.304 31.025 28.738 -0.028 0.000 1.418 50 Q HN 0.533 nan 8.270 nan 0.000 0.411 51 T N 3.927 118.473 114.554 -0.014 0.000 2.749 51 T HA 0.351 4.768 4.350 0.111 0.000 0.295 51 T C -1.953 172.750 174.700 0.005 0.000 0.936 51 T CA -0.835 61.262 62.100 -0.005 0.000 1.060 51 T CB 0.529 69.358 68.868 -0.064 0.000 0.904 51 T HN 0.317 nan 8.240 nan 0.000 0.500 52 P HA 0.137 nan 4.420 nan 0.000 0.271 52 P C 0.146 177.451 177.300 0.007 0.000 1.244 52 P CA -0.335 62.777 63.100 0.020 0.000 0.793 52 P CB 0.433 32.153 31.700 0.033 0.000 0.984 53 T N -2.987 111.571 114.554 0.006 0.000 2.893 53 T HA 0.247 4.664 4.350 0.111 0.000 0.279 53 T C 0.867 175.569 174.700 0.003 0.000 0.991 53 T CA -0.503 61.597 62.100 0.001 0.000 0.950 53 T CB 0.303 69.171 68.868 0.000 0.000 1.223 53 T HN 0.207 nan 8.240 nan 0.000 0.585 54 D N -0.278 120.122 120.400 -0.000 0.000 2.269 54 D HA -0.023 4.683 4.640 0.111 0.000 0.208 54 D C 1.774 178.076 176.300 0.003 0.000 0.963 54 D CA 0.789 54.788 54.000 -0.002 0.000 0.864 54 D CB -0.203 40.594 40.800 -0.005 0.000 0.936 54 D HN 0.741 nan 8.370 nan 0.000 0.505 55 E N 0.307 120.512 120.200 0.008 0.000 2.204 55 E HA -0.085 4.332 4.350 0.111 0.000 0.195 55 E C 1.920 178.535 176.600 0.024 0.000 0.990 55 E CA 0.650 57.059 56.400 0.016 0.000 0.821 55 E CB -0.001 29.708 29.700 0.015 0.000 0.750 55 E HN 0.304 nan 8.360 nan 0.000 0.477 56 I N -0.800 119.782 120.570 0.020 0.000 2.512 56 I HA -0.011 4.226 4.170 0.111 0.000 0.247 56 I C 0.064 176.193 176.117 0.020 0.000 1.094 56 I CA 0.107 61.423 61.300 0.028 0.000 1.427 56 I CB 0.583 38.600 38.000 0.028 0.000 1.149 56 I HN -0.165 nan 8.210 nan 0.000 0.438 57 V N 3.402 123.321 119.914 0.008 0.000 2.348 57 V HA 0.186 4.373 4.120 0.111 0.000 0.270 57 V C 0.007 176.087 176.094 -0.024 0.000 1.037 57 V CA -0.511 61.785 62.300 -0.006 0.000 0.872 57 V CB 0.932 32.753 31.823 -0.004 0.000 1.002 57 V HN -0.067 nan 8.190 nan 0.000 0.464 58 V N 7.710 127.591 119.914 -0.054 0.000 2.432 58 V HA 0.242 4.429 4.120 0.111 0.000 0.271 58 V C -2.137 173.911 176.094 -0.076 0.000 1.046 58 V CA -1.945 60.302 62.300 -0.088 0.000 0.945 58 V CB 1.094 32.793 31.823 -0.207 0.000 0.992 58 V HN 0.702 nan 8.190 nan 0.000 0.471 59 P HA -0.023 nan 4.420 nan 0.000 0.262 59 P C 0.245 177.535 177.300 -0.017 0.000 1.199 59 P CA 0.248 63.337 63.100 -0.018 0.000 0.763 59 P CB 0.231 31.918 31.700 -0.021 0.000 0.790 60 Y N 5.121 125.355 120.300 -0.109 0.000 2.030 60 Y HA -0.308 4.307 4.550 0.109 0.000 0.274 60 Y C 1.648 177.490 175.900 -0.096 0.000 1.153 60 Y CA 1.988 60.015 58.100 -0.121 0.000 1.115 60 Y CB -0.709 37.696 38.460 -0.091 0.000 0.969 60 Y HN 0.319 nan 8.280 nan 0.000 0.488 61 E N 0.047 120.181 120.200 -0.111 0.000 2.492 61 E HA -0.175 4.242 4.350 0.111 0.000 0.204 61 E C 1.625 178.121 176.600 -0.174 0.000 1.073 61 E CA 1.145 57.432 56.400 -0.190 0.000 0.887 61 E CB -0.203 29.480 29.700 -0.029 0.000 0.813 61 E HN 0.237 nan 8.360 nan 0.000 0.562 62 K N -0.402 119.905 120.400 -0.154 0.000 2.353 62 K HA 0.204 4.590 4.320 0.111 0.000 0.195 62 K C 0.102 176.629 176.600 -0.122 0.000 1.031 62 K CA 0.090 56.311 56.287 -0.111 0.000 1.079 62 K CB 0.359 32.819 32.500 -0.066 0.000 0.857 62 K HN 0.028 nan 8.250 nan 0.000 0.535 63 M N 1.097 120.582 119.600 -0.191 0.000 2.241 63 M HA 0.115 4.662 4.480 0.111 0.000 0.335 63 M C -0.044 176.164 176.300 -0.154 0.000 1.122 63 M CA 0.061 55.271 55.300 -0.150 0.000 1.164 63 M CB 1.153 33.618 32.600 -0.226 0.000 1.459 63 M HN -0.117 nan 8.290 nan 0.000 0.461 64 T N 4.363 118.861 114.554 -0.093 0.000 2.779 64 T HA 0.256 4.673 4.350 0.111 0.000 0.296 64 T C -2.068 172.557 174.700 -0.125 0.000 0.938 64 T CA -0.883 61.157 62.100 -0.100 0.000 1.119 64 T CB 0.055 68.876 68.868 -0.078 0.000 0.891 64 T HN 0.441 nan 8.240 nan 0.000 0.526 65 P HA 0.342 nan 4.420 nan 0.000 0.282 65 P C -0.275 176.962 177.300 -0.105 0.000 1.287 65 P CA -0.593 62.430 63.100 -0.128 0.000 0.792 65 P CB 0.567 32.196 31.700 -0.119 0.000 1.163 66 V N -2.080 117.772 119.914 -0.102 0.000 2.785 66 V HA 0.476 4.663 4.120 0.111 0.000 0.300 66 V C 0.581 176.629 176.094 -0.077 0.000 1.062 66 V CA -0.531 61.710 62.300 -0.098 0.000 1.029 66 V CB 0.318 32.068 31.823 -0.121 0.000 1.024 66 V HN 0.732 nan 8.190 nan 0.000 0.477 67 S N 2.728 118.387 115.700 -0.068 0.000 2.634 67 S HA 0.190 4.727 4.470 0.111 0.000 0.261 67 S C 0.995 175.571 174.600 -0.041 0.000 1.271 67 S CA 0.090 58.261 58.200 -0.048 0.000 0.985 67 S CB 0.779 63.954 63.200 -0.041 0.000 0.968 67 S HN 0.990 nan 8.310 nan 0.000 0.568 68 Q N -0.325 119.463 119.800 -0.020 0.000 2.297 68 Q HA -0.060 4.347 4.340 0.111 0.000 0.204 68 Q C -0.024 175.980 176.000 0.007 0.000 0.962 68 Q CA 0.887 56.691 55.803 0.002 0.000 0.879 68 Q CB -0.604 28.139 28.738 0.009 0.000 0.947 68 Q HN 0.707 nan 8.270 nan 0.000 0.462 69 D N 1.527 121.921 120.400 -0.010 0.000 2.419 69 D HA -0.047 4.660 4.640 0.111 0.000 0.281 69 D C 0.830 177.122 176.300 -0.014 0.000 1.398 69 D CA 0.036 54.032 54.000 -0.007 0.000 1.047 69 D CB 0.955 41.744 40.800 -0.017 0.000 1.115 69 D HN 0.006 nan 8.370 nan 0.000 0.540 70 V N 4.419 124.347 119.914 0.024 0.000 2.660 70 V HA -0.297 3.890 4.120 0.111 0.000 0.257 70 V C 2.437 178.528 176.094 -0.005 0.000 1.088 70 V CA 1.975 64.298 62.300 0.039 0.000 1.106 70 V CB -0.821 31.092 31.823 0.151 0.000 0.686 70 V HN 0.699 nan 8.190 nan 0.000 0.481 71 A N -0.119 122.700 122.820 -0.001 0.000 1.902 71 A HA -0.283 4.103 4.320 0.111 0.000 0.217 71 A C 2.324 179.888 177.584 -0.033 0.000 1.181 71 A CA 2.003 54.036 52.037 -0.007 0.000 0.623 71 A CB -0.431 18.568 19.000 -0.003 0.000 0.818 71 A HN 0.652 nan 8.150 nan 0.000 0.443 72 E N -0.921 119.249 120.200 -0.050 0.000 2.072 72 E HA -0.149 4.268 4.350 0.111 0.000 0.191 72 E C 1.966 178.501 176.600 -0.108 0.000 0.985 72 E CA 1.568 57.927 56.400 -0.069 0.000 0.801 72 E CB -0.195 29.463 29.700 -0.070 0.000 0.750 72 E HN 0.499 nan 8.360 nan 0.000 0.452 73 T N 1.116 115.568 114.554 -0.169 0.000 2.708 73 T HA -0.144 4.273 4.350 0.111 0.000 0.266 73 T C 1.758 176.326 174.700 -0.220 0.000 1.037 73 T CA 1.173 63.093 62.100 -0.300 0.000 1.146 73 T CB -0.142 68.344 68.868 -0.637 0.000 0.865 73 T HN 0.028 nan 8.240 nan 0.000 0.435 74 K N 1.415 121.737 120.400 -0.131 0.000 2.020 74 K HA -0.118 4.269 4.320 0.111 0.000 0.212 74 K C 2.141 178.726 176.600 -0.025 0.000 1.050 74 K CA 1.394 57.658 56.287 -0.037 0.000 0.929 74 K CB -0.721 31.787 32.500 0.013 0.000 0.714 74 K HN 0.278 nan 8.250 nan 0.000 0.443 75 N N 1.061 119.745 118.700 -0.028 0.000 2.060 75 N HA -0.200 4.607 4.740 0.111 0.000 0.195 75 N C 2.072 177.576 175.510 -0.009 0.000 1.028 75 N CA 1.382 54.425 53.050 -0.012 0.000 0.861 75 N CB -0.400 38.077 38.487 -0.017 0.000 1.029 75 N HN 0.206 nan 8.380 nan 0.000 0.428 76 L N 0.824 122.024 121.223 -0.038 0.000 1.988 76 L HA -0.059 4.348 4.340 0.111 0.000 0.207 76 L C 2.303 179.170 176.870 -0.004 0.000 1.071 76 L CA 0.703 55.524 54.840 -0.032 0.000 0.744 76 L CB -0.564 41.449 42.059 -0.078 0.000 0.893 76 L HN 0.089 nan 8.230 nan 0.000 0.433 77 L N 0.052 121.258 121.223 -0.028 0.000 2.351 77 L HA -0.254 4.153 4.340 0.111 0.000 0.220 77 L C 1.947 178.838 176.870 0.036 0.000 1.127 77 L CA 1.217 56.062 54.840 0.008 0.000 0.786 77 L CB -0.600 41.458 42.059 -0.003 0.000 0.914 77 L HN 0.400 nan 8.230 nan 0.000 0.443 78 D N 0.164 120.584 120.400 0.034 0.000 2.277 78 D HA -0.143 4.564 4.640 0.111 0.000 0.208 78 D C 1.740 178.077 176.300 0.061 0.000 0.962 78 D CA 0.879 54.909 54.000 0.049 0.000 0.865 78 D CB 0.246 41.072 40.800 0.043 0.000 0.939 78 D HN 0.167 nan 8.370 nan 0.000 0.510 79 K N -0.578 119.866 120.400 0.074 0.000 2.387 79 K HA 0.181 4.567 4.320 0.111 0.000 0.198 79 K C -0.452 176.222 176.600 0.124 0.000 1.022 79 K CA -0.383 55.968 56.287 0.107 0.000 1.128 79 K CB 0.902 33.491 32.500 0.149 0.000 0.853 79 K HN 0.116 nan 8.250 nan 0.000 0.523 80 L N 1.346 122.620 121.223 0.084 0.000 2.325 80 L HA 0.354 4.761 4.340 0.111 0.000 0.278 80 L C -0.726 176.118 176.870 -0.043 0.000 1.023 80 L CA -0.999 53.886 54.840 0.076 0.000 0.811 80 L CB 1.740 43.866 42.059 0.112 0.000 1.249 80 L HN -0.074 nan 8.230 nan 0.000 0.431 81 V N 2.743 122.587 119.914 -0.116 0.000 2.769 81 V HA 0.753 4.940 4.120 0.111 0.000 0.312 81 V C -0.892 175.097 176.094 -0.174 0.000 1.061 81 V CA -0.723 61.401 62.300 -0.294 0.000 0.931 81 V CB 1.858 33.281 31.823 -0.668 0.000 1.010 81 V HN 0.439 nan 8.190 nan 0.000 0.433 82 V N 5.617 125.437 119.914 -0.157 0.000 2.347 82 V HA 0.509 4.696 4.120 0.111 0.000 0.280 82 V C -0.153 175.856 176.094 -0.142 0.000 1.021 82 V CA -0.307 61.922 62.300 -0.118 0.000 0.847 82 V CB 1.176 32.964 31.823 -0.058 0.000 0.990 82 V HN 0.914 nan 8.190 nan 0.000 0.444 83 L N 5.874 126.986 121.223 -0.184 0.000 2.334 83 L HA 0.745 5.152 4.340 0.111 0.000 0.276 83 L C -0.759 175.980 176.870 -0.219 0.000 1.014 83 L CA -0.528 54.222 54.840 -0.149 0.000 0.815 83 L CB 1.676 43.667 42.059 -0.114 0.000 1.268 83 L HN 0.418 nan 8.230 nan 0.000 0.428 84 K N 5.616 125.908 120.400 -0.180 0.000 2.324 84 K HA 0.480 4.866 4.320 0.111 0.000 0.253 84 K C -1.104 175.371 176.600 -0.208 0.000 0.932 84 K CA -0.493 55.669 56.287 -0.209 0.000 0.799 84 K CB 2.158 34.559 32.500 -0.165 0.000 1.154 84 K HN 0.586 nan 8.250 nan 0.000 0.425 85 L N 2.478 123.569 121.223 -0.220 0.000 2.315 85 L HA 0.225 4.632 4.340 0.111 0.000 0.283 85 L C 0.828 177.586 176.870 -0.186 0.000 1.089 85 L CA -0.232 54.486 54.840 -0.203 0.000 0.833 85 L CB 0.066 42.016 42.059 -0.181 0.000 1.170 85 L HN 0.574 nan 8.230 nan 0.000 0.442 86 N N 1.991 120.576 118.700 -0.192 0.000 2.338 86 N HA 0.154 4.961 4.740 0.111 0.000 0.251 86 N C 0.164 175.584 175.510 -0.151 0.000 1.199 86 N CA -0.203 52.752 53.050 -0.158 0.000 0.879 86 N CB 0.849 39.252 38.487 -0.140 0.000 1.159 86 N HN 0.634 nan 8.380 nan 0.000 0.514 87 G N -0.501 108.207 108.800 -0.154 0.000 2.741 87 G HA2 0.583 4.609 3.960 0.111 0.000 0.336 87 G HA3 0.583 4.609 3.960 0.111 0.000 0.336 87 G C -0.243 174.576 174.900 -0.135 0.000 1.022 87 G CA -0.337 44.672 45.100 -0.151 0.000 1.193 87 G HN 0.278 nan 8.290 nan 0.000 0.455 88 G N 1.176 109.890 108.800 -0.143 0.000 2.299 88 G HA2 0.368 4.395 3.960 0.111 0.000 0.312 88 G HA3 0.368 4.395 3.960 0.111 0.000 0.312 88 G C -0.657 174.170 174.900 -0.122 0.000 1.654 88 G CA -0.904 44.120 45.100 -0.127 0.000 0.912 88 G HN 0.536 nan 8.290 nan 0.000 0.667 89 L N 0.819 121.977 121.223 -0.109 0.000 2.469 89 L HA 0.651 5.058 4.340 0.111 0.000 0.253 89 L C 1.639 178.466 176.870 -0.073 0.000 1.143 89 L CA -0.295 54.494 54.840 -0.085 0.000 0.804 89 L CB 1.354 43.368 42.059 -0.074 0.000 1.214 89 L HN 0.714 nan 8.230 nan 0.000 0.476 90 G N -1.431 107.338 108.800 -0.051 0.000 3.523 90 G HA2 0.045 4.072 3.960 0.111 0.000 0.270 90 G HA3 0.045 4.072 3.960 0.111 0.000 0.270 90 G C 0.974 175.858 174.900 -0.027 0.000 1.134 90 G CA -0.019 45.055 45.100 -0.043 0.000 0.825 90 G HN 0.680 nan 8.290 nan 0.000 0.534 91 T N 0.458 114.997 114.554 -0.026 0.000 2.778 91 T HA -0.173 4.243 4.350 0.111 0.000 0.269 91 T C 2.553 177.247 174.700 -0.011 0.000 1.050 91 T CA 1.794 63.886 62.100 -0.013 0.000 1.137 91 T CB -0.251 68.611 68.868 -0.010 0.000 0.860 91 T HN 0.263 nan 8.240 nan 0.000 0.468 92 T N 1.588 116.129 114.554 -0.021 0.000 2.929 92 T HA 0.068 4.485 4.350 0.111 0.000 0.271 92 T C 1.312 176.001 174.700 -0.019 0.000 1.085 92 T CA 0.908 62.996 62.100 -0.020 0.000 1.125 92 T CB -0.278 68.572 68.868 -0.031 0.000 0.874 92 T HN 0.397 nan 8.240 nan 0.000 0.494 93 M N 0.261 119.849 119.600 -0.020 0.000 2.673 93 M HA 0.326 4.873 4.480 0.111 0.000 0.334 93 M C 1.206 177.508 176.300 0.004 0.000 1.211 93 M CA -0.252 55.037 55.300 -0.018 0.000 0.962 93 M CB 0.742 33.321 32.600 -0.035 0.000 1.343 93 M HN 0.264 nan 8.290 nan 0.000 0.511 94 G N 0.970 109.776 108.800 0.009 0.000 2.283 94 G HA2 -0.253 3.774 3.960 0.111 0.000 0.280 94 G HA3 -0.253 3.774 3.960 0.111 0.000 0.280 94 G C -0.251 174.663 174.900 0.023 0.000 1.029 94 G CA 0.037 45.149 45.100 0.019 0.000 0.840 94 G HN 0.559 nan 8.290 nan 0.000 0.505 95 C N 0.434 119.743 119.300 0.016 0.000 2.507 95 C HA 0.820 5.346 4.460 0.111 0.000 0.319 95 C C 0.826 175.823 174.990 0.012 0.000 1.208 95 C CA -0.151 58.879 59.018 0.020 0.000 1.619 95 C CB 1.237 28.993 27.740 0.026 0.000 2.230 95 C HN 0.795 nan 8.230 nan 0.000 0.492 96 T N 0.354 114.917 114.554 0.014 0.000 2.913 96 T HA 0.717 5.133 4.350 0.111 0.000 0.287 96 T C 0.348 175.050 174.700 0.005 0.000 1.008 96 T CA 0.577 62.682 62.100 0.008 0.000 1.067 96 T CB 1.139 70.013 68.868 0.011 0.000 0.996 96 T HN 2.143 nan 8.240 nan 0.000 0.513 97 G N 2.012 110.809 108.800 -0.005 0.000 2.661 97 G HA2 0.030 4.057 3.960 0.111 0.000 0.685 97 G HA3 0.030 4.057 3.960 0.111 0.000 0.685 97 G C -3.199 171.689 174.900 -0.020 0.000 1.298 97 G CA -1.085 44.010 45.100 -0.008 0.000 0.855 97 G HN 0.808 nan 8.290 nan 0.000 0.560 98 P HA 0.146 nan 4.420 nan 0.000 0.267 98 P C 0.852 178.128 177.300 -0.041 0.000 1.200 98 P CA -0.150 62.925 63.100 -0.042 0.000 0.772 98 P CB 0.760 32.441 31.700 -0.031 0.000 0.855 99 K N 2.237 122.581 120.400 -0.093 0.000 2.103 99 K HA -0.138 4.249 4.320 0.111 0.000 0.207 99 K C 1.679 178.178 176.600 -0.170 0.000 1.048 99 K CA 2.398 58.596 56.287 -0.148 0.000 0.930 99 K CB -0.832 31.533 32.500 -0.224 0.000 0.716 99 K HN 0.556 nan 8.250 nan 0.000 0.444 100 S N 0.220 115.841 115.700 -0.131 0.000 2.481 100 S HA -0.078 4.459 4.470 0.111 0.000 0.231 100 S C 1.872 176.651 174.600 0.298 0.000 0.996 100 S CA 0.907 59.126 58.200 0.032 0.000 0.942 100 S CB -0.587 62.618 63.200 0.010 0.000 0.768 100 S HN 0.145 nan 8.310 nan 0.000 0.520 101 V N -0.682 119.329 119.914 0.161 0.000 3.573 101 V HA 0.359 4.546 4.120 0.111 0.000 0.270 101 V C 0.941 177.124 176.094 0.148 0.000 1.221 101 V CA -0.302 62.079 62.300 0.134 0.000 1.163 101 V CB -1.262 30.599 31.823 0.063 0.000 0.847 101 V HN 0.453 nan 8.190 nan 0.000 0.468 102 I N 1.066 121.788 120.570 0.254 0.000 3.194 102 I HA 0.153 4.389 4.170 0.111 0.000 0.283 102 I C 0.550 176.688 176.117 0.034 0.000 1.199 102 I CA 0.213 61.626 61.300 0.189 0.000 1.328 102 I CB 0.269 38.462 38.000 0.322 0.000 1.404 102 I HN 0.260 nan 8.210 nan 0.000 0.618 103 E N 1.614 121.784 120.200 -0.049 0.000 2.109 103 E HA 0.145 4.562 4.350 0.111 0.000 0.278 103 E C 0.361 176.803 176.600 -0.265 0.000 0.954 103 E CA -0.299 56.010 56.400 -0.152 0.000 0.779 103 E CB 2.327 31.991 29.700 -0.061 0.000 1.093 103 E HN 0.452 nan 8.360 nan 0.000 0.401 104 V N 4.335 123.970 119.914 -0.465 0.000 2.273 104 V HA 0.047 4.234 4.120 0.111 0.000 0.242 104 V C 0.519 176.469 176.094 -0.240 0.000 1.035 104 V CA 1.512 63.527 62.300 -0.475 0.000 1.013 104 V CB 0.184 31.625 31.823 -0.636 0.000 0.652 104 V HN 0.621 nan 8.190 nan 0.000 0.452 105 R N -0.692 119.696 120.500 -0.188 0.000 2.629 105 R HA 0.233 4.640 4.340 0.111 0.000 0.266 105 R C -1.192 175.063 176.300 -0.075 0.000 1.051 105 R CA 0.115 56.152 56.100 -0.105 0.000 0.895 105 R CB 1.290 31.534 30.300 -0.094 0.000 1.246 105 R HN 0.477 nan 8.270 nan 0.000 0.459 106 D N 2.316 122.690 120.400 -0.042 0.000 2.723 106 D HA -0.183 4.524 4.640 0.111 0.000 0.236 106 D C 0.754 177.037 176.300 -0.028 0.000 1.138 106 D CA 1.858 55.843 54.000 -0.026 0.000 0.676 106 D CB -1.166 39.622 40.800 -0.019 0.000 1.069 106 D HN 1.049 nan 8.370 nan 0.000 0.430 107 G N -1.213 107.568 108.800 -0.033 0.000 2.220 107 G HA2 -0.354 3.673 3.960 0.111 0.000 0.269 107 G HA3 -0.354 3.673 3.960 0.111 0.000 0.269 107 G C 0.390 175.266 174.900 -0.039 0.000 0.977 107 G CA 0.665 45.748 45.100 -0.028 0.000 0.634 107 G HN 0.514 nan 8.290 nan 0.000 0.539 108 L N 1.803 122.991 121.223 -0.059 0.000 2.312 108 L HA 0.574 4.981 4.340 0.111 0.000 0.281 108 L C 1.305 178.101 176.870 -0.123 0.000 1.070 108 L CA -0.157 54.646 54.840 -0.062 0.000 0.805 108 L CB 1.382 43.409 42.059 -0.054 0.000 1.174 108 L HN 0.359 nan 8.230 nan 0.000 0.434 109 T N -1.903 112.603 114.554 -0.080 0.000 2.912 109 T HA 0.345 4.762 4.350 0.111 0.000 0.280 109 T C 1.097 175.728 174.700 -0.115 0.000 0.989 109 T CA -0.485 61.546 62.100 -0.116 0.000 0.995 109 T CB 0.741 69.622 68.868 0.022 0.000 1.077 109 T HN 0.283 nan 8.240 nan 0.000 0.531 110 F N -0.007 119.933 119.950 -0.016 0.000 2.095 110 F HA 0.002 4.595 4.527 0.110 0.000 0.298 110 F C 2.255 178.044 175.800 -0.018 0.000 1.104 110 F CA 1.005 58.985 58.000 -0.034 0.000 1.232 110 F CB -0.727 38.240 39.000 -0.054 0.000 0.987 110 F HN 0.369 nan 8.300 nan 0.000 0.475 111 L N 0.105 121.450 121.223 0.204 0.000 2.201 111 L HA -0.158 4.249 4.340 0.111 0.000 0.212 111 L C 1.770 178.726 176.870 0.142 0.000 1.105 111 L CA 1.715 56.642 54.840 0.146 0.000 0.775 111 L CB -0.979 41.198 42.059 0.197 0.000 0.913 111 L HN -0.000 nan 8.230 nan 0.000 0.440 112 D N -0.658 119.842 120.400 0.166 0.000 2.117 112 D HA -0.151 4.556 4.640 0.111 0.000 0.198 112 D C 2.276 178.608 176.300 0.054 0.000 0.982 112 D CA 1.336 55.438 54.000 0.169 0.000 0.828 112 D CB 0.009 40.872 40.800 0.106 0.000 0.967 112 D HN 0.347 nan 8.370 nan 0.000 0.464 113 L N 0.483 121.710 121.223 0.008 0.000 2.156 113 L HA -0.038 4.369 4.340 0.111 0.000 0.208 113 L C 2.501 179.361 176.870 -0.017 0.000 1.095 113 L CA 0.350 55.186 54.840 -0.008 0.000 0.770 113 L CB -0.178 41.866 42.059 -0.025 0.000 0.914 113 L HN 0.026 nan 8.230 nan 0.000 0.439 114 I N -0.422 120.132 120.570 -0.026 0.000 2.127 114 I HA -0.303 3.933 4.170 0.111 0.000 0.241 114 I C 2.411 178.453 176.117 -0.125 0.000 1.075 114 I CA 1.356 62.621 61.300 -0.058 0.000 1.334 114 I CB -0.332 37.628 38.000 -0.066 0.000 1.040 114 I HN 0.023 nan 8.210 nan 0.000 0.405 115 V N 1.000 120.761 119.914 -0.255 0.000 2.720 115 V HA -0.240 3.947 4.120 0.111 0.000 0.256 115 V C 2.142 178.145 176.094 -0.151 0.000 1.082 115 V CA 1.479 63.569 62.300 -0.350 0.000 1.101 115 V CB -0.415 30.878 31.823 -0.884 0.000 0.693 115 V HN 0.337 nan 8.190 nan 0.000 0.479 116 I N -0.537 119.988 120.570 -0.075 0.000 2.206 116 I HA -0.234 4.003 4.170 0.111 0.000 0.239 116 I C 2.647 178.759 176.117 -0.008 0.000 1.078 116 I CA 1.404 62.692 61.300 -0.020 0.000 1.367 116 I CB -0.331 37.672 38.000 0.006 0.000 1.078 116 I HN 0.276 nan 8.210 nan 0.000 0.413 117 Q N 0.686 120.491 119.800 0.008 0.000 2.061 117 Q HA -0.214 4.193 4.340 0.111 0.000 0.204 117 Q C 2.309 178.324 176.000 0.025 0.000 0.984 117 Q CA 1.713 57.535 55.803 0.032 0.000 0.846 117 Q CB -0.198 28.580 28.738 0.067 0.000 0.902 117 Q HN 0.516 nan 8.270 nan 0.000 0.421 118 I N 0.689 121.264 120.570 0.008 0.000 2.264 118 I HA -0.293 3.944 4.170 0.111 0.000 0.248 118 I C 2.483 178.608 176.117 0.012 0.000 1.111 118 I CA 1.250 62.559 61.300 0.015 0.000 1.382 118 I CB -0.265 37.731 38.000 -0.008 0.000 1.060 118 I HN 0.314 nan 8.210 nan 0.000 0.418 119 E N 1.072 121.267 120.200 -0.008 0.000 2.110 119 E HA -0.244 4.173 4.350 0.111 0.000 0.193 119 E C 1.776 178.368 176.600 -0.012 0.000 0.988 119 E CA 1.345 57.741 56.400 -0.007 0.000 0.804 119 E CB 0.092 29.784 29.700 -0.012 0.000 0.745 119 E HN 0.426 nan 8.360 nan 0.000 0.458 120 N N 0.109 118.799 118.700 -0.016 0.000 2.331 120 N HA -0.073 4.733 4.740 0.111 0.000 0.180 120 N C 1.695 177.166 175.510 -0.066 0.000 1.019 120 N CA 0.633 53.657 53.050 -0.044 0.000 0.881 120 N CB -0.026 38.439 38.487 -0.037 0.000 0.972 120 N HN 0.223 nan 8.380 nan 0.000 0.435 121 L N 0.329 121.553 121.223 0.002 0.000 2.131 121 L HA -0.004 4.403 4.340 0.111 0.000 0.206 121 L C 1.504 178.433 176.870 0.099 0.000 1.087 121 L CA 0.767 55.655 54.840 0.080 0.000 0.767 121 L CB -0.202 41.946 42.059 0.147 0.000 0.917 121 L HN 0.115 nan 8.230 nan 0.000 0.441 122 N N -0.239 118.496 118.700 0.058 0.000 2.376 122 N HA -0.123 4.684 4.740 0.111 0.000 0.177 122 N C 1.557 177.065 175.510 -0.003 0.000 1.024 122 N CA 0.724 53.813 53.050 0.065 0.000 0.893 122 N CB -0.310 38.208 38.487 0.053 0.000 0.980 122 N HN 0.267 nan 8.380 nan 0.000 0.439 123 N N 1.593 120.259 118.700 -0.056 0.000 2.142 123 N HA -0.115 4.691 4.740 0.111 0.000 0.186 123 N C 1.494 176.905 175.510 -0.166 0.000 1.023 123 N CA 1.124 54.123 53.050 -0.085 0.000 0.852 123 N CB 0.039 38.477 38.487 -0.080 0.000 0.998 123 N HN 0.174 nan 8.380 nan 0.000 0.424 124 K N -1.570 118.629 120.400 -0.335 0.000 2.296 124 K HA -0.056 4.331 4.320 0.111 0.000 0.200 124 K C 0.311 176.465 176.600 -0.742 0.000 1.048 124 K CA 0.945 56.855 56.287 -0.627 0.000 0.966 124 K CB 0.092 32.017 32.500 -0.958 0.000 0.754 124 K HN 0.292 nan 8.250 nan 0.000 0.466 125 Y N -1.762 118.538 120.300 -0.000 0.000 2.563 125 Y HA 0.305 4.853 4.550 -0.003 0.000 0.250 125 Y C 1.272 177.176 175.900 0.008 0.000 1.126 125 Y CA -0.175 57.927 58.100 0.003 0.000 1.231 125 Y CB 1.045 39.507 38.460 0.004 0.000 1.288 125 Y HN 0.166 nan 8.280 nan 0.000 0.537 126 G N 0.266 109.120 108.800 0.090 0.000 2.284 126 G HA2 -0.393 3.634 3.960 0.111 0.000 0.261 126 G HA3 -0.393 3.634 3.960 0.111 0.000 0.261 126 G C 0.870 175.817 174.900 0.079 0.000 0.997 126 G CA 0.309 45.449 45.100 0.068 0.000 0.621 126 G HN 0.577 nan 8.290 nan 0.000 0.534 127 C N -0.874 118.493 119.300 0.112 0.000 2.713 127 C HA 0.748 5.275 4.460 0.111 0.000 0.330 127 C C 0.779 175.817 174.990 0.081 0.000 1.416 127 C CA -0.413 58.661 59.018 0.092 0.000 2.351 127 C CB 0.673 28.471 27.740 0.096 0.000 2.388 127 C HN 0.448 nan 8.230 nan 0.000 0.729 128 K N 0.731 121.177 120.400 0.076 0.000 2.842 128 K HA 0.422 4.808 4.320 0.111 0.000 0.176 128 K C -1.076 175.570 176.600 0.077 0.000 1.080 128 K CA -0.227 56.104 56.287 0.074 0.000 0.954 128 K CB 1.328 33.873 32.500 0.075 0.000 1.203 128 K HN 0.562 nan 8.250 nan 0.000 0.611 129 V N 4.212 124.165 119.914 0.066 0.000 2.529 129 V HA 0.060 4.247 4.120 0.111 0.000 0.292 129 V C -1.576 174.544 176.094 0.044 0.000 1.028 129 V CA -0.977 61.350 62.300 0.044 0.000 1.074 129 V CB 0.081 31.931 31.823 0.045 0.000 0.958 129 V HN 0.487 nan 8.190 nan 0.000 0.481 130 P HA 0.308 nan 4.420 nan 0.000 0.281 130 P C -1.021 176.302 177.300 0.037 0.000 1.249 130 P CA -0.620 62.536 63.100 0.094 0.000 0.810 130 P CB 1.728 33.524 31.700 0.160 0.000 1.008 131 L N 3.817 125.106 121.223 0.110 0.000 2.305 131 L HA 0.534 4.940 4.340 0.111 0.000 0.284 131 L C -1.048 175.911 176.870 0.148 0.000 1.013 131 L CA -0.652 54.220 54.840 0.053 0.000 0.819 131 L CB 1.481 43.538 42.059 -0.004 0.000 1.227 131 L HN 0.160 nan 8.230 nan 0.000 0.417 132 V N 7.137 127.105 119.914 0.090 0.000 2.409 132 V HA 0.504 4.691 4.120 0.111 0.000 0.290 132 V C -0.766 175.364 176.094 0.060 0.000 1.017 132 V CA -0.514 61.892 62.300 0.176 0.000 0.841 132 V CB 1.571 33.549 31.823 0.258 0.000 1.003 132 V HN 0.714 nan 8.190 nan 0.000 0.426 133 L N 6.961 128.195 121.223 0.018 0.000 2.276 133 L HA 0.555 4.962 4.340 0.111 0.000 0.286 133 L C 0.241 176.911 176.870 -0.334 0.000 1.061 133 L CA -0.257 54.514 54.840 -0.116 0.000 0.807 133 L CB 1.461 43.473 42.059 -0.077 0.000 1.177 133 L HN 0.614 nan 8.230 nan 0.000 0.429 134 M N 4.546 123.853 119.600 -0.490 0.000 2.108 134 M HA 0.256 4.803 4.480 0.111 0.000 0.347 134 M C -0.799 175.167 176.300 -0.556 0.000 1.326 134 M CA -0.149 54.566 55.300 -0.974 0.000 1.126 134 M CB 0.197 32.420 32.600 -0.628 0.000 1.606 134 M HN 0.641 nan 8.290 nan 0.000 0.462 135 N N 2.183 120.582 118.700 -0.501 0.000 2.604 135 N HA 0.597 5.403 4.740 0.111 0.000 0.297 135 N C -0.741 174.656 175.510 -0.189 0.000 1.266 135 N CA -0.428 52.505 53.050 -0.196 0.000 0.961 135 N CB 1.585 40.126 38.487 0.090 0.000 1.166 135 N HN 0.760 nan 8.380 nan 0.000 0.601 136 S N -1.402 114.231 115.700 -0.113 0.000 2.705 136 S HA 0.356 4.893 4.470 0.111 0.000 0.280 136 S C 0.551 175.127 174.600 -0.041 0.000 1.174 136 S CA -0.798 57.340 58.200 -0.103 0.000 0.823 136 S CB 0.088 63.180 63.200 -0.181 0.000 1.162 136 S HN 0.485 nan 8.310 nan 0.000 0.487 137 F N 0.877 120.770 119.950 -0.096 0.000 2.333 137 F HA 0.141 4.735 4.527 0.111 0.000 0.300 137 F C 1.430 177.221 175.800 -0.015 0.000 1.083 137 F CA 1.389 59.351 58.000 -0.064 0.000 1.395 137 F CB -1.001 37.927 39.000 -0.120 0.000 1.056 137 F HN 0.570 nan 8.300 nan 0.000 0.529 138 N N -0.147 118.198 118.700 -0.592 0.000 2.494 138 N HA -0.041 4.766 4.740 0.111 0.000 0.182 138 N C 0.938 176.348 175.510 -0.167 0.000 1.076 138 N CA 1.132 53.945 53.050 -0.395 0.000 0.908 138 N CB 0.003 38.191 38.487 -0.498 0.000 0.967 138 N HN 0.548 nan 8.380 nan 0.000 0.449 139 T N -4.587 109.899 114.554 -0.112 0.000 3.130 139 T HA 0.099 4.515 4.350 0.111 0.000 0.288 139 T C 1.026 175.731 174.700 0.009 0.000 0.936 139 T CA -0.338 61.730 62.100 -0.054 0.000 0.897 139 T CB -0.041 68.779 68.868 -0.081 0.000 1.178 139 T HN 0.062 nan 8.240 nan 0.000 0.543 140 H N 2.582 121.619 119.070 -0.055 0.000 2.253 140 H HA 0.006 4.628 4.556 0.111 0.000 0.299 140 H C 1.575 176.913 175.328 0.016 0.000 1.064 140 H CA 2.407 58.442 56.048 -0.022 0.000 1.264 140 H CB -0.382 29.373 29.762 -0.012 0.000 1.371 140 H HN 0.183 nan 8.280 nan 0.000 0.493 141 D N -0.047 120.316 120.400 -0.061 0.000 2.149 141 D HA -0.121 4.586 4.640 0.111 0.000 0.198 141 D C 1.760 178.017 176.300 -0.071 0.000 0.990 141 D CA 1.472 55.396 54.000 -0.126 0.000 0.839 141 D CB -0.464 40.304 40.800 -0.053 0.000 0.948 141 D HN 0.498 nan 8.370 nan 0.000 0.460 142 D N -0.674 119.705 120.400 -0.035 0.000 2.144 142 D HA -0.077 4.630 4.640 0.111 0.000 0.200 142 D C 1.940 178.231 176.300 -0.014 0.000 0.978 142 D CA 1.139 55.128 54.000 -0.018 0.000 0.833 142 D CB -0.195 40.597 40.800 -0.014 0.000 0.961 142 D HN 0.109 nan 8.370 nan 0.000 0.470 143 T N -0.473 114.063 114.554 -0.030 0.000 2.708 143 T HA -0.201 4.216 4.350 0.111 0.000 0.266 143 T C 1.769 176.461 174.700 -0.014 0.000 1.037 143 T CA 1.167 63.254 62.100 -0.022 0.000 1.146 143 T CB -0.409 68.439 68.868 -0.033 0.000 0.865 143 T HN 0.315 nan 8.240 nan 0.000 0.435 144 H N 1.801 120.767 119.070 -0.173 0.000 2.353 144 H HA -0.085 4.539 4.556 0.112 0.000 0.298 144 H C 2.346 177.616 175.328 -0.096 0.000 1.103 144 H CA 1.820 57.774 56.048 -0.157 0.000 1.293 144 H CB -0.192 29.427 29.762 -0.238 0.000 1.372 144 H HN 0.203 nan 8.280 nan 0.000 0.501 145 K N 0.658 121.154 120.400 0.161 0.000 2.031 145 K HA -0.082 4.305 4.320 0.111 0.000 0.205 145 K C 2.323 178.906 176.600 -0.029 0.000 1.049 145 K CA 0.987 57.327 56.287 0.090 0.000 0.939 145 K CB -0.101 32.433 32.500 0.056 0.000 0.717 145 K HN 0.230 nan 8.250 nan 0.000 0.438 146 I N 2.356 122.902 120.570 -0.039 0.000 2.127 146 I HA -0.236 4.001 4.170 0.111 0.000 0.241 146 I C 2.567 178.579 176.117 -0.174 0.000 1.075 146 I CA 1.236 62.482 61.300 -0.089 0.000 1.334 146 I CB -1.745 36.228 38.000 -0.044 0.000 1.040 146 I HN 0.078 nan 8.210 nan 0.000 0.405 147 V N -0.631 119.227 119.914 -0.094 0.000 2.944 147 V HA -0.212 3.974 4.120 0.111 0.000 0.265 147 V C 2.153 178.156 176.094 -0.152 0.000 1.125 147 V CA 1.800 64.073 62.300 -0.046 0.000 1.145 147 V CB -1.357 30.542 31.823 0.126 0.000 0.725 147 V HN 0.496 nan 8.190 nan 0.000 0.510 148 E N 1.924 122.012 120.200 -0.186 0.000 2.265 148 E HA -0.258 4.159 4.350 0.111 0.000 0.196 148 E C 2.173 178.654 176.600 -0.198 0.000 0.996 148 E CA 1.371 57.676 56.400 -0.158 0.000 0.832 148 E CB -0.085 29.541 29.700 -0.125 0.000 0.756 148 E HN 0.928 nan 8.360 nan 0.000 0.491 149 K N -0.389 119.795 120.400 -0.360 0.000 2.360 149 K HA -0.161 4.226 4.320 0.111 0.000 0.201 149 K C 0.338 176.690 176.600 -0.414 0.000 1.046 149 K CA 1.049 57.081 56.287 -0.426 0.000 0.945 149 K CB -0.201 31.964 32.500 -0.559 0.000 0.750 149 K HN 0.165 nan 8.250 nan 0.000 0.464 150 Y N 1.879 122.158 120.300 -0.034 0.000 2.746 150 Y HA 0.215 4.833 4.550 0.114 0.000 0.312 150 Y C 1.426 177.306 175.900 -0.033 0.000 1.117 150 Y CA -0.493 57.590 58.100 -0.028 0.000 1.324 150 Y CB 0.049 38.494 38.460 -0.026 0.000 1.173 150 Y HN 0.015 nan 8.280 nan 0.000 0.529 151 T N -0.448 114.122 114.554 0.026 0.000 2.777 151 T HA -0.145 4.272 4.350 0.111 0.000 0.266 151 T C 1.620 176.336 174.700 0.027 0.000 1.040 151 T CA 1.580 63.687 62.100 0.012 0.000 1.141 151 T CB -0.013 68.842 68.868 -0.021 0.000 0.868 151 T HN 0.313 nan 8.240 nan 0.000 0.444 152 N N 0.834 119.553 118.700 0.032 0.000 2.280 152 N HA 0.182 4.988 4.740 0.111 0.000 0.192 152 N C 0.095 175.631 175.510 0.044 0.000 1.109 152 N CA -0.026 53.042 53.050 0.030 0.000 0.855 152 N CB 0.140 38.638 38.487 0.018 0.000 0.974 152 N HN 0.196 nan 8.380 nan 0.000 0.482 153 S N 1.019 116.763 115.700 0.075 0.000 2.563 153 S HA -0.044 4.493 4.470 0.111 0.000 0.284 153 S C 0.836 175.461 174.600 0.042 0.000 1.331 153 S CA -0.227 58.017 58.200 0.073 0.000 1.047 153 S CB 0.440 63.712 63.200 0.120 0.000 0.859 153 S HN 0.268 nan 8.310 nan 0.000 0.514 154 N N 1.728 120.444 118.700 0.027 0.000 3.091 154 N HA 0.237 5.044 4.740 0.111 0.000 0.301 154 N C -0.906 174.616 175.510 0.020 0.000 1.325 154 N CA -0.138 52.925 53.050 0.022 0.000 1.143 154 N CB -0.035 38.462 38.487 0.017 0.000 1.450 154 N HN 0.356 nan 8.380 nan 0.000 0.542 155 V N -0.228 119.697 119.914 0.019 0.000 2.932 155 V HA 0.387 4.574 4.120 0.111 0.000 0.307 155 V C -1.673 174.439 176.094 0.030 0.000 1.147 155 V CA -0.942 61.370 62.300 0.021 0.000 0.951 155 V CB 2.115 33.928 31.823 -0.017 0.000 1.031 155 V HN 0.120 nan 8.190 nan 0.000 0.426 156 D N 6.546 126.984 120.400 0.063 0.000 2.428 156 D HA 0.415 5.121 4.640 0.111 0.000 0.221 156 D C -0.198 176.160 176.300 0.096 0.000 1.123 156 D CA 0.280 54.309 54.000 0.048 0.000 0.869 156 D CB 1.424 42.282 40.800 0.097 0.000 1.032 156 D HN 0.509 nan 8.370 nan 0.000 0.506 157 I N 3.113 123.700 120.570 0.029 0.000 2.304 157 I HA 0.118 4.355 4.170 0.111 0.000 0.291 157 I C 0.269 176.427 176.117 0.069 0.000 1.018 157 I CA -0.499 60.852 61.300 0.085 0.000 1.260 157 I CB 0.553 38.572 38.000 0.031 0.000 1.390 157 I HN 0.193 nan 8.210 nan 0.000 0.475 158 H N 3.073 122.217 119.070 0.123 0.000 2.544 158 H HA 0.724 5.346 4.556 0.109 0.000 0.342 158 H C 0.012 175.424 175.328 0.141 0.000 1.185 158 H CA -0.649 55.487 56.048 0.146 0.000 1.264 158 H CB 1.645 31.537 29.762 0.216 0.000 1.607 158 H HN 0.584 nan 8.280 nan 0.000 0.550 159 T N -0.781 113.955 114.554 0.303 0.000 2.894 159 T HA 0.619 5.036 4.350 0.111 0.000 0.309 159 T C -1.263 173.655 174.700 0.363 0.000 1.208 159 T CA -1.022 61.212 62.100 0.223 0.000 1.016 159 T CB 1.171 70.125 68.868 0.144 0.000 1.192 159 T HN 0.566 nan 8.240 nan 0.000 0.491 160 F N -0.484 119.581 119.950 0.192 0.000 2.654 160 F HA 0.796 5.389 4.527 0.110 0.000 0.308 160 F C -1.343 174.440 175.800 -0.028 0.000 1.108 160 F CA -1.262 56.799 58.000 0.102 0.000 0.957 160 F CB 1.338 40.367 39.000 0.048 0.000 1.309 160 F HN 0.635 nan 8.300 nan 0.000 0.446 161 N N 2.603 121.269 118.700 -0.056 0.000 2.426 161 N HA 0.228 5.035 4.740 0.111 0.000 0.257 161 N C -0.423 175.117 175.510 0.050 0.000 1.002 161 N CA -0.422 52.453 53.050 -0.292 0.000 0.942 161 N CB 1.113 39.210 38.487 -0.649 0.000 1.112 161 N HN 0.882 nan 8.380 nan 0.000 0.499 162 Q N 1.775 121.580 119.800 0.008 0.000 2.870 162 Q HA 0.199 4.605 4.340 0.111 0.000 0.193 162 Q C -0.468 175.520 176.000 -0.020 0.000 1.148 162 Q CA -0.352 55.514 55.803 0.105 0.000 1.212 162 Q CB 0.056 28.791 28.738 -0.005 0.000 1.290 162 Q HN 0.480 nan 8.270 nan 0.000 0.686 163 S N 0.224 115.871 115.700 -0.088 0.000 2.576 163 S HA 0.178 4.715 4.470 0.111 0.000 0.276 163 S C -0.306 174.131 174.600 -0.273 0.000 1.339 163 S CA -0.666 57.431 58.200 -0.172 0.000 1.039 163 S CB 0.668 63.714 63.200 -0.256 0.000 0.902 163 S HN 0.512 nan 8.310 nan 0.000 0.516 164 K N 1.751 122.022 120.400 -0.216 0.000 2.206 164 K HA 0.414 4.801 4.320 0.111 0.000 0.264 164 K C -1.776 174.769 176.600 -0.091 0.000 0.967 164 K CA -0.519 55.604 56.287 -0.272 0.000 0.844 164 K CB 0.603 32.789 32.500 -0.525 0.000 1.099 164 K HN 0.526 nan 8.250 nan 0.000 0.441 165 Y N 2.882 122.956 120.300 -0.377 0.000 2.524 165 Y HA 0.414 5.031 4.550 0.112 0.000 0.344 165 Y C -2.337 173.468 175.900 -0.159 0.000 1.012 165 Y CA -3.108 54.705 58.100 -0.478 0.000 1.068 165 Y CB 1.841 39.752 38.460 -0.915 0.000 1.249 165 Y HN 0.543 nan 8.280 nan 0.000 0.468 166 P HA 0.294 nan 4.420 nan 0.000 0.286 166 P C -0.211 177.162 177.300 0.121 0.000 1.269 166 P CA -0.399 62.707 63.100 0.009 0.000 0.787 166 P CB 1.358 32.992 31.700 -0.109 0.000 0.920 167 R N 1.318 121.988 120.500 0.283 0.000 2.944 167 R HA 0.301 4.708 4.340 0.111 0.000 0.279 167 R C -0.099 176.196 176.300 -0.008 0.000 1.048 167 R CA -0.083 56.111 56.100 0.157 0.000 1.196 167 R CB 0.163 30.560 30.300 0.163 0.000 1.134 167 R HN 0.312 nan 8.270 nan 0.000 0.525 168 V N 1.449 121.252 119.914 -0.186 0.000 2.588 168 V HA 0.177 4.364 4.120 0.111 0.000 0.304 168 V C -0.483 175.363 176.094 -0.414 0.000 1.042 168 V CA -0.807 61.313 62.300 -0.301 0.000 0.877 168 V CB 2.110 33.616 31.823 -0.529 0.000 0.996 168 V HN 0.407 nan 8.190 nan 0.000 0.425 169 V N 5.147 124.828 119.914 -0.388 0.000 2.387 169 V HA 0.230 4.417 4.120 0.111 0.000 0.260 169 V C 1.488 177.412 176.094 -0.283 0.000 1.054 169 V CA 0.699 62.752 62.300 -0.412 0.000 0.967 169 V CB 0.509 32.107 31.823 -0.375 0.000 1.036 169 V HN 1.117 nan 8.190 nan 0.000 0.481 170 A N 4.983 127.667 122.820 -0.226 0.000 1.881 170 A HA -0.287 4.100 4.320 0.111 0.000 0.219 170 A C 1.904 179.560 177.584 0.120 0.000 1.215 170 A CA 2.527 54.556 52.037 -0.013 0.000 0.648 170 A CB -0.650 18.344 19.000 -0.010 0.000 0.832 170 A HN 0.991 nan 8.150 nan 0.000 0.455 171 D N 0.020 120.433 120.400 0.023 0.000 2.182 171 D HA -0.236 4.470 4.640 0.111 0.000 0.193 171 D C 1.535 177.886 176.300 0.085 0.000 0.999 171 D CA 1.965 55.990 54.000 0.043 0.000 0.850 171 D CB -0.992 39.805 40.800 -0.004 0.000 0.994 171 D HN 0.678 nan 8.370 nan 0.000 0.450 172 E N -1.311 118.922 120.200 0.055 0.000 2.347 172 E HA 0.012 4.429 4.350 0.111 0.000 0.196 172 E C 0.104 176.806 176.600 0.170 0.000 1.008 172 E CA -0.015 56.433 56.400 0.080 0.000 0.852 172 E CB -0.302 29.422 29.700 0.040 0.000 0.783 172 E HN 0.268 nan 8.360 nan 0.000 0.505 173 F N 0.688 120.629 119.950 -0.016 0.000 2.969 173 F HA -0.242 4.352 4.527 0.111 0.000 0.273 173 F C -0.231 175.581 175.800 0.019 0.000 0.986 173 F CA 0.202 58.202 58.000 -0.000 0.000 0.926 173 F CB -0.646 38.362 39.000 0.014 0.000 0.887 173 F HN -0.074 nan 8.300 nan 0.000 0.816 174 V N -1.607 118.289 119.914 -0.029 0.000 3.074 174 V HA 0.833 5.020 4.120 0.111 0.000 0.314 174 V C -2.487 173.592 176.094 -0.025 0.000 1.117 174 V CA -2.613 59.697 62.300 0.016 0.000 1.014 174 V CB 2.000 33.854 31.823 0.052 0.000 1.057 174 V HN -0.052 nan 8.190 nan 0.000 0.438 175 P HA 0.056 nan 4.420 nan 0.000 0.268 175 P C -0.374 176.961 177.300 0.059 0.000 1.204 175 P CA 0.257 63.383 63.100 0.044 0.000 0.768 175 P CB 0.310 32.049 31.700 0.066 0.000 0.842 176 W N 7.046 128.222 121.300 -0.206 0.000 2.381 176 W HA -0.030 4.696 4.660 0.111 0.000 0.301 176 W C -1.219 175.142 176.519 -0.262 0.000 1.205 176 W CA 1.142 58.354 57.345 -0.221 0.000 1.285 176 W CB -2.269 27.048 29.460 -0.238 0.000 1.133 176 W HN 0.479 nan 8.180 nan 0.000 0.521 177 P HA -0.143 nan 4.420 nan 0.000 0.219 177 P C 1.845 179.028 177.300 -0.195 0.000 1.146 177 P CA 2.544 65.382 63.100 -0.437 0.000 0.808 177 P CB -0.125 31.163 31.700 -0.686 0.000 0.779 178 S N -0.260 115.383 115.700 -0.094 0.000 2.402 178 S HA -0.104 4.432 4.470 0.111 0.000 0.229 178 S C 1.430 176.021 174.600 -0.015 0.000 1.021 178 S CA 1.129 59.313 58.200 -0.026 0.000 0.974 178 S CB -0.605 62.602 63.200 0.013 0.000 0.800 178 S HN 0.362 nan 8.310 nan 0.000 0.484 179 K N 0.628 121.029 120.400 0.000 0.000 2.525 179 K HA 0.196 4.582 4.320 0.111 0.000 0.192 179 K C 1.169 177.744 176.600 -0.041 0.000 1.029 179 K CA 0.499 56.800 56.287 0.023 0.000 1.029 179 K CB 0.050 32.623 32.500 0.120 0.000 0.814 179 K HN 0.434 nan 8.250 nan 0.000 0.503 180 G N 2.072 110.811 108.800 -0.102 0.000 2.163 180 G HA2 -0.236 3.791 3.960 0.111 0.000 0.213 180 G HA3 -0.236 3.791 3.960 0.111 0.000 0.213 180 G C 0.012 174.762 174.900 -0.250 0.000 0.991 180 G CA -0.321 44.698 45.100 -0.135 0.000 0.653 180 G HN 0.158 nan 8.290 nan 0.000 0.518 181 K N 2.200 122.342 120.400 -0.431 0.000 2.187 181 K HA 0.505 4.892 4.320 0.111 0.000 0.242 181 K C 1.700 177.940 176.600 -0.600 0.000 1.179 181 K CA 0.579 56.446 56.287 -0.701 0.000 1.097 181 K CB -0.282 31.315 32.500 -1.505 0.000 1.634 181 K HN 0.360 nan 8.250 nan 0.000 0.335 182 T N -1.619 112.731 114.554 -0.339 0.000 3.044 182 T HA 0.006 4.423 4.350 0.111 0.000 0.250 182 T C 0.506 175.198 174.700 -0.013 0.000 1.081 182 T CA 0.026 62.032 62.100 -0.157 0.000 1.040 182 T CB -0.477 68.384 68.868 -0.012 0.000 0.962 182 T HN 0.549 nan 8.240 nan 0.000 0.506 183 D N 2.023 122.351 120.400 -0.120 0.000 2.314 183 D HA 0.060 4.767 4.640 0.111 0.000 0.252 183 D C 1.532 177.861 176.300 0.048 0.000 1.295 183 D CA -0.553 53.430 54.000 -0.029 0.000 0.995 183 D CB 0.674 41.427 40.800 -0.079 0.000 1.125 183 D HN 0.308 nan 8.370 nan 0.000 0.537 184 K N -0.673 119.796 120.400 0.115 0.000 2.209 184 K HA -0.193 4.194 4.320 0.111 0.000 0.204 184 K C 1.410 178.145 176.600 0.225 0.000 1.048 184 K CA 1.280 57.718 56.287 0.253 0.000 0.940 184 K CB -0.331 32.349 32.500 0.300 0.000 0.729 184 K HN 0.479 nan 8.250 nan 0.000 0.451 185 E N 0.802 121.028 120.200 0.042 0.000 2.347 185 E HA -0.066 4.351 4.350 0.111 0.000 0.196 185 E C 1.966 178.493 176.600 -0.121 0.000 1.008 185 E CA 0.717 57.126 56.400 0.015 0.000 0.852 185 E CB -0.011 29.654 29.700 -0.058 0.000 0.783 185 E HN 0.632 nan 8.360 nan 0.000 0.505 186 G N 0.461 109.009 108.800 -0.421 0.000 2.650 186 G HA2 -0.094 3.933 3.960 0.111 0.000 0.214 186 G HA3 -0.094 3.933 3.960 0.111 0.000 0.214 186 G C -0.118 174.439 174.900 -0.572 0.000 1.136 186 G CA -0.206 44.485 45.100 -0.683 0.000 0.789 186 G HN 0.059 nan 8.290 nan 0.000 0.536 187 W N -0.659 120.638 121.300 -0.004 0.000 2.647 187 W HA 0.650 5.377 4.660 0.112 0.000 0.353 187 W C -0.663 176.029 176.519 0.289 0.000 1.080 187 W CA -1.511 55.806 57.345 -0.047 0.000 1.208 187 W CB 1.023 30.113 29.460 -0.618 0.000 1.396 187 W HN 0.096 nan 8.180 nan 0.000 0.573 188 Y N -0.791 119.759 120.300 0.417 0.000 2.433 188 Y HA 0.606 5.223 4.550 0.111 0.000 0.337 188 Y C -3.038 173.046 175.900 0.308 0.000 1.026 188 Y CA -3.696 54.622 58.100 0.363 0.000 1.037 188 Y CB 1.255 39.829 38.460 0.190 0.000 1.245 188 Y HN 0.111 nan 8.280 nan 0.000 0.443 189 P HA 0.147 nan 4.420 nan 0.000 0.269 189 P C -2.142 175.168 177.300 0.017 0.000 1.263 189 P CA -1.274 61.831 63.100 0.008 0.000 0.813 189 P CB 0.632 32.307 31.700 -0.041 0.000 0.868 190 P HA -0.024 nan 4.420 nan 0.000 0.299 190 P C 0.503 177.842 177.300 0.064 0.000 1.515 190 P CA 0.777 63.887 63.100 0.017 0.000 0.770 190 P CB -0.507 31.003 31.700 -0.316 0.000 1.614 191 G N 1.815 110.630 108.800 0.025 0.000 2.781 191 G HA2 -0.225 3.802 3.960 0.111 0.000 0.683 191 G HA3 -0.225 3.802 3.960 0.111 0.000 0.683 191 G C 0.252 175.125 174.900 -0.045 0.000 1.390 191 G CA -0.074 44.989 45.100 -0.061 0.000 0.850 191 G HN 0.500 nan 8.290 nan 0.000 0.557 192 H N -0.655 118.424 119.070 0.016 0.000 2.551 192 H HA 0.298 4.922 4.556 0.112 0.000 0.266 192 H C 2.381 177.713 175.328 0.007 0.000 0.977 192 H CA 1.502 57.539 56.048 -0.018 0.000 1.163 192 H CB -0.455 29.285 29.762 -0.037 0.000 1.381 192 H HN 0.969 nan 8.280 nan 0.000 0.581 193 G N 0.737 109.682 108.800 0.241 0.000 2.470 193 G HA2 -0.330 3.696 3.960 0.111 0.000 0.220 193 G HA3 -0.330 3.696 3.960 0.111 0.000 0.220 193 G C 1.262 176.300 174.900 0.230 0.000 1.121 193 G CA 0.903 46.178 45.100 0.292 0.000 0.766 193 G HN 0.548 nan 8.290 nan 0.000 0.553 194 D N -0.276 120.201 120.400 0.128 0.000 2.392 194 D HA -0.041 4.666 4.640 0.111 0.000 0.228 194 D C 2.199 178.531 176.300 0.055 0.000 1.003 194 D CA 0.427 54.473 54.000 0.078 0.000 0.917 194 D CB 0.011 40.790 40.800 -0.035 0.000 0.890 194 D HN 0.081 nan 8.370 nan 0.000 0.532 195 V N -0.487 119.407 119.914 -0.032 0.000 2.490 195 V HA -0.195 3.991 4.120 0.111 0.000 0.250 195 V C 1.541 177.528 176.094 -0.178 0.000 1.061 195 V CA 1.565 63.772 62.300 -0.156 0.000 1.064 195 V CB -0.509 31.069 31.823 -0.409 0.000 0.670 195 V HN 0.162 nan 8.190 nan 0.000 0.461 196 F N 1.271 121.323 119.950 0.170 0.000 2.118 196 F HA 0.100 4.693 4.527 0.110 0.000 0.293 196 F C 0.185 176.046 175.800 0.101 0.000 1.102 196 F CA 1.481 59.577 58.000 0.160 0.000 1.247 196 F CB -2.242 36.894 39.000 0.226 0.000 1.017 196 F HN 0.250 nan 8.300 nan 0.000 0.475 197 P HA -0.050 nan 4.420 nan 0.000 0.226 197 P C 1.122 178.459 177.300 0.062 0.000 1.153 197 P CA 1.725 64.913 63.100 0.147 0.000 0.777 197 P CB -0.125 31.661 31.700 0.144 0.000 0.794 198 A N 0.079 122.937 122.820 0.062 0.000 1.930 198 A HA -0.077 4.310 4.320 0.111 0.000 0.215 198 A C 2.141 179.509 177.584 -0.360 0.000 1.176 198 A CA 0.859 52.900 52.037 0.006 0.000 0.632 198 A CB -1.473 17.683 19.000 0.260 0.000 0.819 198 A HN 0.156 nan 8.150 nan 0.000 0.445 199 L N -1.065 120.003 121.223 -0.258 0.000 2.083 199 L HA -0.113 4.294 4.340 0.111 0.000 0.209 199 L C 2.252 178.918 176.870 -0.341 0.000 1.083 199 L CA 1.827 56.386 54.840 -0.467 0.000 0.752 199 L CB -0.355 41.681 42.059 -0.039 0.000 0.899 199 L HN 0.263 nan 8.230 nan 0.000 0.433 200 M N -0.922 118.595 119.600 -0.138 0.000 2.236 200 M HA -0.070 4.477 4.480 0.111 0.000 0.266 200 M C 1.841 178.068 176.300 -0.122 0.000 1.070 200 M CA 0.998 56.248 55.300 -0.082 0.000 1.137 200 M CB -1.274 31.330 32.600 0.006 0.000 1.378 200 M HN 0.293 nan 8.290 nan 0.000 0.426 201 N N 0.485 119.104 118.700 -0.134 0.000 2.519 201 N HA -0.089 4.717 4.740 0.111 0.000 0.186 201 N C 1.750 177.163 175.510 -0.161 0.000 1.062 201 N CA 1.312 54.297 53.050 -0.108 0.000 0.910 201 N CB -0.248 38.199 38.487 -0.066 0.000 0.958 201 N HN 0.427 nan 8.380 nan 0.000 0.445 202 S N -1.104 114.417 115.700 -0.298 0.000 2.414 202 S HA 0.087 4.623 4.470 0.111 0.000 0.227 202 S C 1.606 176.103 174.600 -0.172 0.000 1.022 202 S CA 1.184 59.204 58.200 -0.299 0.000 0.958 202 S CB -0.014 62.822 63.200 -0.606 0.000 0.797 202 S HN 0.377 nan 8.310 nan 0.000 0.493 203 G N 1.159 109.863 108.800 -0.160 0.000 2.176 203 G HA2 -0.232 3.795 3.960 0.111 0.000 0.253 203 G HA3 -0.232 3.795 3.960 0.111 0.000 0.253 203 G C 0.955 175.764 174.900 -0.153 0.000 0.979 203 G CA 0.464 45.494 45.100 -0.116 0.000 0.641 203 G HN 0.440 nan 8.290 nan 0.000 0.530 204 K N -0.362 119.915 120.400 -0.205 0.000 2.243 204 K HA 0.259 4.645 4.320 0.111 0.000 0.201 204 K C 2.372 178.782 176.600 -0.317 0.000 1.051 204 K CA 1.094 57.181 56.287 -0.334 0.000 0.970 204 K CB -0.287 32.033 32.500 -0.301 0.000 0.755 204 K HN 0.486 nan 8.250 nan 0.000 0.465 205 L N 2.263 123.440 121.223 -0.076 0.000 2.027 205 L HA -0.116 4.291 4.340 0.111 0.000 0.206 205 L C 1.533 178.427 176.870 0.039 0.000 1.074 205 L CA 1.975 56.871 54.840 0.093 0.000 0.745 205 L CB -0.854 41.254 42.059 0.083 0.000 0.898 205 L HN 0.058 nan 8.230 nan 0.000 0.433 206 D N -0.616 119.770 120.400 -0.024 0.000 2.133 206 D HA -0.197 4.509 4.640 0.111 0.000 0.195 206 D C 1.930 178.207 176.300 -0.038 0.000 0.997 206 D CA 2.056 56.044 54.000 -0.021 0.000 0.840 206 D CB -0.085 40.694 40.800 -0.036 0.000 0.947 206 D HN 0.424 nan 8.370 nan 0.000 0.452 207 T N 0.825 115.304 114.554 -0.125 0.000 2.595 207 T HA -0.177 4.240 4.350 0.111 0.000 0.264 207 T C 1.863 176.508 174.700 -0.090 0.000 1.058 207 T CA 1.010 63.006 62.100 -0.173 0.000 1.166 207 T CB -0.626 68.022 68.868 -0.366 0.000 0.863 207 T HN 0.041 nan 8.240 nan 0.000 0.415 208 F N 0.941 120.876 119.950 -0.026 0.000 2.120 208 F HA -0.054 4.540 4.527 0.112 0.000 0.300 208 F C 2.194 177.994 175.800 0.001 0.000 1.095 208 F CA 0.223 58.212 58.000 -0.018 0.000 1.249 208 F CB -1.268 37.710 39.000 -0.036 0.000 0.995 208 F HN 0.028 nan 8.300 nan 0.000 0.480 209 L N 0.394 121.728 121.223 0.184 0.000 1.971 209 L HA -0.263 4.144 4.340 0.111 0.000 0.215 209 L C 2.768 179.688 176.870 0.082 0.000 1.072 209 L CA 2.345 57.249 54.840 0.107 0.000 0.758 209 L CB -1.309 40.791 42.059 0.067 0.000 0.889 209 L HN 0.282 nan 8.230 nan 0.000 0.433 210 S N -1.521 114.216 115.700 0.060 0.000 2.442 210 S HA -0.232 4.305 4.470 0.111 0.000 0.236 210 S C 1.559 176.196 174.600 0.062 0.000 1.007 210 S CA 1.050 59.278 58.200 0.046 0.000 0.965 210 S CB -0.636 62.579 63.200 0.025 0.000 0.773 210 S HN 0.676 nan 8.310 nan 0.000 0.504 211 Q N 0.657 120.513 119.800 0.093 0.000 2.253 211 Q HA 0.376 4.783 4.340 0.111 0.000 0.210 211 Q C 1.316 177.381 176.000 0.108 0.000 0.907 211 Q CA 0.198 56.067 55.803 0.111 0.000 0.948 211 Q CB -0.144 28.694 28.738 0.166 0.000 1.033 211 Q HN 0.754 nan 8.270 nan 0.000 0.471 212 G N 0.815 109.668 108.800 0.088 0.000 2.205 212 G HA2 -0.258 3.768 3.960 0.111 0.000 0.261 212 G HA3 -0.258 3.768 3.960 0.111 0.000 0.261 212 G C 0.061 175.012 174.900 0.086 0.000 0.980 212 G CA -0.155 44.992 45.100 0.078 0.000 0.632 212 G HN 0.149 nan 8.290 nan 0.000 0.533 213 K N 0.743 121.206 120.400 0.105 0.000 2.412 213 K HA 0.383 4.769 4.320 0.111 0.000 0.281 213 K C 0.932 177.576 176.600 0.072 0.000 1.027 213 K CA 0.304 56.644 56.287 0.087 0.000 0.989 213 K CB 1.218 33.772 32.500 0.090 0.000 0.935 213 K HN 0.606 nan 8.250 nan 0.000 0.475 214 E N 1.003 121.249 120.200 0.076 0.000 2.441 214 E HA 0.085 4.502 4.350 0.111 0.000 0.212 214 E C -0.418 176.078 176.600 -0.174 0.000 0.840 214 E CA 0.126 56.520 56.400 -0.009 0.000 1.143 214 E CB 0.514 30.251 29.700 0.062 0.000 1.153 214 E HN 0.442 nan 8.360 nan 0.000 0.539 215 Y N -0.547 119.796 120.300 0.072 0.000 2.634 215 Y HA 0.563 5.180 4.550 0.111 0.000 0.340 215 Y C -0.749 175.177 175.900 0.043 0.000 1.058 215 Y CA -1.148 57.010 58.100 0.096 0.000 1.081 215 Y CB 2.144 40.703 38.460 0.166 0.000 1.295 215 Y HN -0.259 nan 8.280 nan 0.000 0.487 216 V N 2.679 122.729 119.914 0.226 0.000 2.760 216 V HA 0.530 4.717 4.120 0.111 0.000 0.309 216 V C -2.025 174.078 176.094 0.015 0.000 1.077 216 V CA -0.772 61.563 62.300 0.058 0.000 0.910 216 V CB 1.708 33.534 31.823 0.005 0.000 1.008 216 V HN 0.553 nan 8.190 nan 0.000 0.424 217 F N 7.371 127.088 119.950 -0.390 0.000 2.388 217 F HA 0.762 5.356 4.527 0.112 0.000 0.358 217 F C -0.565 174.915 175.800 -0.533 0.000 1.122 217 F CA -0.855 56.648 58.000 -0.829 0.000 1.056 217 F CB 1.397 39.675 39.000 -1.204 0.000 1.155 217 F HN 0.339 nan 8.300 nan 0.000 0.461 218 V N 5.655 125.197 119.914 -0.619 0.000 2.532 218 V HA 0.929 5.115 4.120 0.111 0.000 0.295 218 V C -0.133 175.499 176.094 -0.769 0.000 1.041 218 V CA -0.250 61.695 62.300 -0.591 0.000 0.926 218 V CB 1.020 32.637 31.823 -0.343 0.000 0.992 218 V HN 1.097 nan 8.190 nan 0.000 0.457 219 A N 3.391 125.836 122.820 -0.626 0.000 2.597 219 A HA 0.620 5.006 4.320 0.111 0.000 0.292 219 A C -1.061 176.323 177.584 -0.335 0.000 1.057 219 A CA -0.898 50.845 52.037 -0.491 0.000 0.674 219 A CB 1.163 19.782 19.000 -0.633 0.000 1.278 219 A HN 0.669 nan 8.150 nan 0.000 0.416 220 N N 1.132 119.690 118.700 -0.235 0.000 2.508 220 N HA 0.164 4.971 4.740 0.111 0.000 0.264 220 N C 1.500 176.881 175.510 -0.214 0.000 1.216 220 N CA 0.568 53.497 53.050 -0.201 0.000 0.943 220 N CB 1.188 39.590 38.487 -0.142 0.000 1.113 220 N HN 0.799 nan 8.380 nan 0.000 0.447 221 S N -0.138 115.427 115.700 -0.226 0.000 2.442 221 S HA -0.174 4.363 4.470 0.111 0.000 0.236 221 S C 0.595 175.022 174.600 -0.289 0.000 1.007 221 S CA 0.998 59.068 58.200 -0.216 0.000 0.965 221 S CB -0.232 62.844 63.200 -0.207 0.000 0.773 221 S HN 0.679 nan 8.310 nan 0.000 0.504 222 D N 0.449 120.603 120.400 -0.410 0.000 2.388 222 D HA 0.166 4.872 4.640 0.111 0.000 0.221 222 D C -0.058 176.115 176.300 -0.211 0.000 1.133 222 D CA -0.482 53.178 54.000 -0.567 0.000 0.831 222 D CB -0.668 39.645 40.800 -0.812 0.000 0.962 222 D HN 0.342 nan 8.370 nan 0.000 0.502 223 N N 1.200 119.819 118.700 -0.135 0.000 2.500 223 N HA 0.128 4.935 4.740 0.111 0.000 0.236 223 N C 0.681 176.168 175.510 -0.038 0.000 1.022 223 N CA -0.418 52.571 53.050 -0.102 0.000 0.935 223 N CB 0.802 39.254 38.487 -0.059 0.000 1.147 223 N HN 0.045 nan 8.380 nan 0.000 0.512 224 L N 1.930 123.130 121.223 -0.038 0.000 2.275 224 L HA 0.085 4.491 4.340 0.111 0.000 0.215 224 L C 1.968 178.822 176.870 -0.026 0.000 1.119 224 L CA 0.999 55.822 54.840 -0.028 0.000 0.790 224 L CB -0.141 41.855 42.059 -0.105 0.000 0.919 224 L HN 0.604 nan 8.230 nan 0.000 0.443 225 G N -0.289 108.499 108.800 -0.019 0.000 2.880 225 G HA2 0.113 4.140 3.960 0.111 0.000 0.209 225 G HA3 0.113 4.140 3.960 0.111 0.000 0.209 225 G C 0.988 175.964 174.900 0.128 0.000 1.157 225 G CA 0.319 45.442 45.100 0.038 0.000 0.779 225 G HN 0.342 nan 8.290 nan 0.000 0.539 226 A N 1.290 124.181 122.820 0.118 0.000 3.076 226 A HA 0.474 4.861 4.320 0.111 0.000 0.269 226 A C 0.552 178.334 177.584 0.330 0.000 1.916 226 A CA -0.242 51.921 52.037 0.210 0.000 1.492 226 A CB -1.247 17.727 19.000 -0.043 0.000 1.000 226 A HN 0.640 nan 8.150 nan 0.000 0.615 227 I N -1.480 119.301 120.570 0.351 0.000 2.498 227 I HA 0.568 4.805 4.170 0.111 0.000 0.301 227 I C -0.065 176.222 176.117 0.283 0.000 0.984 227 I CA -1.068 60.424 61.300 0.320 0.000 1.204 227 I CB 1.607 39.776 38.000 0.282 0.000 1.362 227 I HN -0.070 nan 8.210 nan 0.000 0.471 228 V N 4.097 124.146 119.914 0.226 0.000 2.509 228 V HA -0.080 4.107 4.120 0.111 0.000 0.297 228 V C -0.059 176.094 176.094 0.100 0.000 1.014 228 V CA 0.715 63.059 62.300 0.073 0.000 1.127 228 V CB 0.227 32.127 31.823 0.127 0.000 0.925 228 V HN 0.810 nan 8.190 nan 0.000 0.480 229 D N 4.388 124.863 120.400 0.126 0.000 2.454 229 D HA 0.324 5.031 4.640 0.111 0.000 0.225 229 D C 0.980 177.235 176.300 -0.074 0.000 1.081 229 D CA -0.378 53.650 54.000 0.047 0.000 0.864 229 D CB 0.910 41.733 40.800 0.038 0.000 1.040 229 D HN 0.424 nan 8.370 nan 0.000 0.517 230 L N 2.106 123.296 121.223 -0.055 0.000 2.129 230 L HA -0.210 4.197 4.340 0.111 0.000 0.212 230 L C 2.111 178.863 176.870 -0.196 0.000 1.087 230 L CA 1.161 55.929 54.840 -0.120 0.000 0.757 230 L CB -0.415 41.569 42.059 -0.125 0.000 0.896 230 L HN 0.487 nan 8.230 nan 0.000 0.434 231 T N 0.065 114.512 114.554 -0.178 0.000 2.708 231 T HA -0.171 4.246 4.350 0.111 0.000 0.266 231 T C 1.875 176.401 174.700 -0.290 0.000 1.037 231 T CA 1.476 63.454 62.100 -0.203 0.000 1.146 231 T CB -0.186 68.566 68.868 -0.194 0.000 0.865 231 T HN 0.207 nan 8.240 nan 0.000 0.435 232 I N 0.622 120.940 120.570 -0.421 0.000 2.163 232 I HA -0.170 4.067 4.170 0.111 0.000 0.243 232 I C 2.309 177.936 176.117 -0.817 0.000 1.085 232 I CA 0.907 61.788 61.300 -0.698 0.000 1.347 232 I CB -0.374 36.942 38.000 -1.141 0.000 1.044 232 I HN 0.182 nan 8.210 nan 0.000 0.408 233 L N 1.245 121.952 121.223 -0.859 0.000 1.994 233 L HA -0.238 4.169 4.340 0.111 0.000 0.208 233 L C 2.522 179.149 176.870 -0.405 0.000 1.071 233 L CA 1.954 56.414 54.840 -0.633 0.000 0.745 233 L CB -0.805 41.062 42.059 -0.321 0.000 0.892 233 L HN 0.130 nan 8.230 nan 0.000 0.431 234 K N -1.463 118.768 120.400 -0.282 0.000 2.034 234 K HA -0.331 4.055 4.320 0.111 0.000 0.214 234 K C 2.403 178.894 176.600 -0.182 0.000 1.051 234 K CA 1.977 58.147 56.287 -0.194 0.000 0.931 234 K CB -0.592 31.816 32.500 -0.154 0.000 0.715 234 K HN 0.596 nan 8.250 nan 0.000 0.446 235 H N 1.231 120.140 119.070 -0.269 0.000 2.319 235 H HA -0.148 4.473 4.556 0.110 0.000 0.297 235 H C 2.116 177.315 175.328 -0.214 0.000 1.097 235 H CA 2.145 58.058 56.048 -0.225 0.000 1.285 235 H CB -0.270 29.349 29.762 -0.239 0.000 1.368 235 H HN 0.250 nan 8.280 nan 0.000 0.495 236 L N 0.304 121.447 121.223 -0.134 0.000 2.081 236 L HA -0.213 4.194 4.340 0.111 0.000 0.212 236 L C 2.800 179.602 176.870 -0.113 0.000 1.080 236 L CA 1.282 56.024 54.840 -0.162 0.000 0.754 236 L CB -0.454 41.293 42.059 -0.520 0.000 0.893 236 L HN 0.258 nan 8.230 nan 0.000 0.433 237 I N -1.002 119.472 120.570 -0.161 0.000 2.830 237 I HA -0.191 4.046 4.170 0.111 0.000 0.263 237 I C 2.506 178.586 176.117 -0.063 0.000 1.230 237 I CA 0.698 61.981 61.300 -0.029 0.000 1.480 237 I CB -0.155 37.831 38.000 -0.023 0.000 1.095 237 I HN 0.377 nan 8.210 nan 0.000 0.455 238 Q N 0.836 120.538 119.800 -0.163 0.000 2.008 238 Q HA -0.087 4.320 4.340 0.111 0.000 0.196 238 Q C 1.469 177.364 176.000 -0.174 0.000 0.973 238 Q CA 1.325 57.013 55.803 -0.190 0.000 0.826 238 Q CB -0.111 28.451 28.738 -0.295 0.000 0.894 238 Q HN 0.602 nan 8.270 nan 0.000 0.439 239 N N 0.462 119.011 118.700 -0.251 0.000 2.461 239 N HA -0.022 4.785 4.740 0.111 0.000 0.188 239 N C -0.557 174.941 175.510 -0.021 0.000 1.134 239 N CA -0.075 52.892 53.050 -0.138 0.000 0.878 239 N CB 0.374 38.771 38.487 -0.150 0.000 0.972 239 N HN -0.035 nan 8.380 nan 0.000 0.456 240 K N 1.029 121.436 120.400 0.011 0.000 3.150 240 K HA -0.144 4.243 4.320 0.111 0.000 0.267 240 K C -1.324 175.362 176.600 0.143 0.000 1.028 240 K CA 0.485 56.828 56.287 0.093 0.000 0.753 240 K CB -2.332 30.208 32.500 0.067 0.000 1.288 240 K HN 0.503 nan 8.250 nan 0.000 0.473 241 N N 0.854 119.658 118.700 0.174 0.000 2.458 241 N HA 0.093 4.900 4.740 0.111 0.000 0.270 241 N C 1.077 176.772 175.510 0.309 0.000 1.102 241 N CA -0.399 52.778 53.050 0.213 0.000 0.967 241 N CB 0.802 39.405 38.487 0.192 0.000 1.078 241 N HN 0.144 nan 8.380 nan 0.000 0.471 242 E N 0.947 121.330 120.200 0.305 0.000 2.230 242 E HA -0.086 4.331 4.350 0.111 0.000 0.192 242 E C -0.519 176.267 176.600 0.309 0.000 0.987 242 E CA 0.804 57.422 56.400 0.364 0.000 0.841 242 E CB 0.302 30.297 29.700 0.493 0.000 0.783 242 E HN 0.553 nan 8.360 nan 0.000 0.481 243 Y N -0.364 120.006 120.300 0.117 0.000 2.457 243 Y HA 0.311 4.930 4.550 0.114 0.000 0.343 243 Y C -1.408 174.537 175.900 0.074 0.000 0.994 243 Y CA -1.161 56.910 58.100 -0.048 0.000 1.031 243 Y CB 1.808 40.139 38.460 -0.215 0.000 1.246 243 Y HN -0.082 nan 8.280 nan 0.000 0.449 244 C N 8.568 127.871 119.300 0.005 0.000 2.432 244 C HA 0.631 5.158 4.460 0.111 0.000 0.334 244 C C -1.197 173.870 174.990 0.129 0.000 1.155 244 C CA -0.791 58.292 59.018 0.107 0.000 1.335 244 C CB -0.144 27.611 27.740 0.024 0.000 1.964 244 C HN 0.981 nan 8.230 nan 0.000 0.444 245 M N 5.193 124.917 119.600 0.207 0.000 2.180 245 M HA 0.441 4.988 4.480 0.111 0.000 0.350 245 M C -0.144 176.230 176.300 0.124 0.000 1.125 245 M CA 0.092 55.516 55.300 0.207 0.000 1.031 245 M CB 0.995 33.751 32.600 0.260 0.000 1.623 245 M HN 0.752 nan 8.290 nan 0.000 0.451 246 E N 4.106 124.388 120.200 0.137 0.000 2.257 246 E HA 0.335 4.751 4.350 0.111 0.000 0.278 246 E C -0.751 175.803 176.600 -0.076 0.000 1.049 246 E CA -0.356 56.074 56.400 0.050 0.000 0.876 246 E CB 1.000 30.771 29.700 0.117 0.000 1.035 246 E HN 0.563 nan 8.360 nan 0.000 0.419 247 V N 0.318 120.147 119.914 -0.141 0.000 3.001 247 V HA 0.806 4.993 4.120 0.111 0.000 0.314 247 V C -0.249 175.643 176.094 -0.337 0.000 1.099 247 V CA -0.668 61.466 62.300 -0.276 0.000 0.989 247 V CB 2.085 33.807 31.823 -0.169 0.000 1.040 247 V HN 0.598 nan 8.190 nan 0.000 0.434 248 T N 1.719 115.943 114.554 -0.550 0.000 2.900 248 T HA 0.660 5.077 4.350 0.111 0.000 0.303 248 T C -3.155 171.373 174.700 -0.287 0.000 1.142 248 T CA -1.668 60.189 62.100 -0.405 0.000 1.007 248 T CB 2.257 70.874 68.868 -0.418 0.000 1.156 248 T HN 0.737 nan 8.240 nan 0.000 0.490 249 P HA 0.167 nan 4.420 nan 0.000 0.265 249 P C -0.643 176.799 177.300 0.238 0.000 1.193 249 P CA -0.009 63.129 63.100 0.064 0.000 0.765 249 P CB 0.288 32.020 31.700 0.053 0.000 0.823 250 K N 1.787 122.354 120.400 0.279 0.000 2.326 250 K HA 0.272 4.658 4.320 0.111 0.000 0.275 250 K C 0.734 177.415 176.600 0.134 0.000 1.018 250 K CA 0.210 56.667 56.287 0.284 0.000 0.962 250 K CB 0.318 32.909 32.500 0.151 0.000 0.953 250 K HN 0.529 nan 8.250 nan 0.000 0.475 251 T N -0.952 113.641 114.554 0.064 0.000 2.926 251 T HA 0.288 4.705 4.350 0.111 0.000 0.289 251 T C 1.314 176.004 174.700 -0.018 0.000 1.054 251 T CA -0.945 61.180 62.100 0.040 0.000 1.015 251 T CB 0.684 69.596 68.868 0.072 0.000 1.167 251 T HN 0.457 nan 8.240 nan 0.000 0.526 252 L N 0.563 121.785 121.223 -0.002 0.000 2.263 252 L HA -0.021 4.385 4.340 0.111 0.000 0.216 252 L C 2.795 179.646 176.870 -0.032 0.000 1.111 252 L CA 1.519 56.351 54.840 -0.013 0.000 0.773 252 L CB -0.636 41.423 42.059 0.002 0.000 0.906 252 L HN 0.933 nan 8.230 nan 0.000 0.439 253 A N -1.260 121.536 122.820 -0.039 0.000 2.218 253 A HA -0.033 4.354 4.320 0.111 0.000 0.209 253 A C 0.796 178.305 177.584 -0.125 0.000 1.168 253 A CA 0.609 52.616 52.037 -0.051 0.000 0.804 253 A CB -0.053 18.936 19.000 -0.018 0.000 0.834 253 A HN 0.365 nan 8.150 nan 0.000 0.482 254 D N 0.212 120.488 120.400 -0.207 0.000 2.696 254 D HA 0.144 4.851 4.640 0.111 0.000 0.269 254 D C 1.565 177.700 176.300 -0.276 0.000 1.319 254 D CA 0.509 54.257 54.000 -0.419 0.000 0.826 254 D CB 0.055 40.274 40.800 -0.967 0.000 1.086 254 D HN 0.279 nan 8.370 nan 0.000 0.481 255 V N -0.322 119.509 119.914 -0.139 0.000 2.233 255 V HA -0.203 3.984 4.120 0.111 0.000 0.247 255 V C 1.587 177.628 176.094 -0.088 0.000 1.050 255 V CA 1.166 63.415 62.300 -0.085 0.000 1.010 255 V CB -0.702 31.104 31.823 -0.028 0.000 0.637 255 V HN -0.042 nan 8.190 nan 0.000 0.444 256 K N 1.861 122.245 120.400 -0.027 0.000 2.546 256 K HA 0.307 4.694 4.320 0.111 0.000 0.198 256 K C 0.991 177.638 176.600 0.078 0.000 1.028 256 K CA 0.294 56.628 56.287 0.079 0.000 1.150 256 K CB -0.205 32.371 32.500 0.128 0.000 0.876 256 K HN 0.674 nan 8.250 nan 0.000 0.508 257 G N 0.622 109.389 108.800 -0.055 0.000 2.527 257 G HA2 0.265 4.292 3.960 0.111 0.000 0.248 257 G HA3 0.265 4.292 3.960 0.111 0.000 0.248 257 G C 0.106 175.040 174.900 0.057 0.000 1.231 257 G CA -0.586 44.497 45.100 -0.029 0.000 0.838 257 G HN 0.207 nan 8.290 nan 0.000 0.570 258 G N -0.365 108.515 108.800 0.132 0.000 2.398 258 G HA2 0.434 4.461 3.960 0.111 0.000 0.246 258 G HA3 0.434 4.461 3.960 0.111 0.000 0.246 258 G C 0.102 175.069 174.900 0.113 0.000 1.289 258 G CA 0.375 45.564 45.100 0.148 0.000 0.869 258 G HN 0.712 nan 8.290 nan 0.000 0.543 259 T N 1.011 115.600 114.554 0.058 0.000 2.883 259 T HA 0.618 5.035 4.350 0.111 0.000 0.284 259 T C -0.302 174.430 174.700 0.052 0.000 1.041 259 T CA -0.700 61.428 62.100 0.047 0.000 1.007 259 T CB 0.866 69.736 68.868 0.003 0.000 1.220 259 T HN 0.279 nan 8.240 nan 0.000 0.552 260 L N 2.954 124.217 121.223 0.065 0.000 2.307 260 L HA 0.709 5.116 4.340 0.111 0.000 0.284 260 L C -0.278 176.644 176.870 0.087 0.000 1.023 260 L CA -0.809 54.068 54.840 0.061 0.000 0.810 260 L CB 1.313 43.401 42.059 0.049 0.000 1.231 260 L HN 0.604 nan 8.230 nan 0.000 0.423 261 I N -1.009 119.607 120.570 0.076 0.000 2.994 261 I HA 0.517 4.754 4.170 0.111 0.000 0.306 261 I C -0.813 175.355 176.117 0.086 0.000 1.195 261 I CA -0.591 60.770 61.300 0.101 0.000 1.001 261 I CB 2.537 40.613 38.000 0.126 0.000 1.244 261 I HN 0.302 nan 8.210 nan 0.000 0.437 262 S N 3.169 118.920 115.700 0.084 0.000 2.422 262 S HA 0.438 4.975 4.470 0.111 0.000 0.298 262 S C -1.199 173.466 174.600 0.109 0.000 1.118 262 S CA -0.204 58.037 58.200 0.069 0.000 1.083 262 S CB 0.148 63.366 63.200 0.029 0.000 0.971 262 S HN 0.510 nan 8.310 nan 0.000 0.478 263 Y N 2.590 122.869 120.300 -0.034 0.000 2.338 263 Y HA 0.268 4.885 4.550 0.111 0.000 0.328 263 Y C 0.139 176.015 175.900 -0.041 0.000 0.965 263 Y CA -0.880 57.195 58.100 -0.043 0.000 1.208 263 Y CB 0.338 38.769 38.460 -0.048 0.000 1.132 263 Y HN 0.855 nan 8.280 nan 0.000 0.469 264 E N 3.614 123.618 120.200 -0.326 0.000 2.271 264 E HA -0.236 4.181 4.350 0.111 0.000 0.223 264 E C 1.003 177.548 176.600 -0.091 0.000 1.223 264 E CA 0.679 56.943 56.400 -0.227 0.000 0.704 264 E CB -1.403 28.169 29.700 -0.215 0.000 1.194 264 E HN 1.208 nan 8.360 nan 0.000 0.375 265 G N 0.344 109.102 108.800 -0.070 0.000 2.212 265 G HA2 -0.384 3.643 3.960 0.111 0.000 0.267 265 G HA3 -0.384 3.643 3.960 0.111 0.000 0.267 265 G C 0.123 175.017 174.900 -0.010 0.000 1.002 265 G CA 1.350 46.431 45.100 -0.033 0.000 0.729 265 G HN 0.330 nan 8.290 nan 0.000 0.517 266 K N -0.855 119.546 120.400 0.002 0.000 2.375 266 K HA 0.624 5.011 4.320 0.111 0.000 0.249 266 K C -0.174 176.438 176.600 0.020 0.000 0.942 266 K CA -0.958 55.334 56.287 0.007 0.000 0.806 266 K CB 3.052 35.547 32.500 -0.008 0.000 1.227 266 K HN 0.139 nan 8.250 nan 0.000 0.430 267 V N 2.125 122.045 119.914 0.011 0.000 2.811 267 V HA 0.159 4.346 4.120 0.111 0.000 0.302 267 V C -0.659 175.422 176.094 -0.021 0.000 1.063 267 V CA 0.646 62.953 62.300 0.013 0.000 1.088 267 V CB 1.101 32.938 31.823 0.023 0.000 0.982 267 V HN 0.742 nan 8.190 nan 0.000 0.485 268 Q N 3.531 123.325 119.800 -0.010 0.000 2.479 268 Q HA 0.366 4.772 4.340 0.111 0.000 0.276 268 Q C -1.881 174.104 176.000 -0.025 0.000 0.989 268 Q CA -0.826 54.948 55.803 -0.048 0.000 0.864 268 Q CB 2.248 30.951 28.738 -0.059 0.000 1.444 268 Q HN 0.771 nan 8.270 nan 0.000 0.388 269 L N 2.883 124.087 121.223 -0.032 0.000 2.375 269 L HA 0.530 4.937 4.340 0.111 0.000 0.271 269 L C -1.348 175.513 176.870 -0.014 0.000 1.107 269 L CA -0.165 54.680 54.840 0.007 0.000 0.806 269 L CB 1.070 43.152 42.059 0.038 0.000 1.146 269 L HN 0.603 nan 8.230 nan 0.000 0.447 270 L N 4.784 126.014 121.223 0.012 0.000 2.372 270 L HA 0.501 4.907 4.340 0.111 0.000 0.273 270 L C -0.546 176.383 176.870 0.099 0.000 0.989 270 L CA 0.027 54.868 54.840 0.001 0.000 0.841 270 L CB 1.101 43.153 42.059 -0.012 0.000 1.225 270 L HN 0.751 nan 8.230 nan 0.000 0.414 271 E N 3.797 124.022 120.200 0.041 0.000 2.254 271 E HA 0.265 4.682 4.350 0.111 0.000 0.258 271 E C 1.022 177.545 176.600 -0.128 0.000 1.033 271 E CA -0.498 55.944 56.400 0.070 0.000 0.893 271 E CB 1.352 31.082 29.700 0.049 0.000 1.204 271 E HN 0.793 nan 8.360 nan 0.000 0.425 272 I N -1.008 119.488 120.570 -0.124 0.000 3.164 272 I HA 0.033 4.270 4.170 0.111 0.000 0.278 272 I C 0.901 176.881 176.117 -0.229 0.000 1.320 272 I CA 0.781 61.878 61.300 -0.338 0.000 1.422 272 I CB -0.332 37.602 38.000 -0.110 0.000 1.066 272 I HN 0.206 nan 8.210 nan 0.000 0.503 273 A N 0.665 123.399 122.820 -0.143 0.000 2.833 273 A HA 0.430 4.817 4.320 0.111 0.000 0.293 273 A C 0.981 178.510 177.584 -0.092 0.000 1.338 273 A CA -0.239 51.749 52.037 -0.081 0.000 0.959 273 A CB -0.061 18.926 19.000 -0.022 0.000 1.094 273 A HN 0.536 nan 8.150 nan 0.000 0.569 274 Q N -1.899 117.805 119.800 -0.159 0.000 1.793 274 Q HA 0.189 4.596 4.340 0.111 0.000 0.186 274 Q C -0.569 175.357 176.000 -0.124 0.000 0.714 274 Q CA 0.225 55.947 55.803 -0.136 0.000 0.808 274 Q CB 1.278 29.918 28.738 -0.164 0.000 1.211 274 Q HN 0.277 nan 8.270 nan 0.000 0.402 275 V N 2.900 122.683 119.914 -0.218 0.000 2.398 275 V HA 0.466 4.653 4.120 0.111 0.000 0.286 275 V C -2.206 173.858 176.094 -0.051 0.000 1.026 275 V CA -1.753 60.479 62.300 -0.113 0.000 0.868 275 V CB 1.335 32.939 31.823 -0.364 0.000 0.982 275 V HN 0.029 nan 8.190 nan 0.000 0.443 276 P HA 0.195 nan 4.420 nan 0.000 0.272 276 P C 0.188 177.471 177.300 -0.029 0.000 1.230 276 P CA -0.284 62.828 63.100 0.020 0.000 0.788 276 P CB 0.684 32.425 31.700 0.069 0.000 0.949 277 D N 0.475 120.843 120.400 -0.054 0.000 2.116 277 D HA -0.195 4.511 4.640 0.111 0.000 0.193 277 D C 1.232 177.463 176.300 -0.116 0.000 0.998 277 D CA 1.429 55.389 54.000 -0.066 0.000 0.836 277 D CB -0.333 40.431 40.800 -0.060 0.000 0.951 277 D HN 0.452 nan 8.370 nan 0.000 0.449 278 E N -0.448 119.631 120.200 -0.201 0.000 2.463 278 E HA -0.120 4.297 4.350 0.111 0.000 0.201 278 E C 1.027 177.280 176.600 -0.578 0.000 1.045 278 E CA 0.824 57.005 56.400 -0.364 0.000 0.872 278 E CB -0.040 29.390 29.700 -0.449 0.000 0.797 278 E HN 0.518 nan 8.360 nan 0.000 0.538 279 H N -1.919 116.982 119.070 -0.283 0.000 3.170 279 H HA 0.232 4.854 4.556 0.111 0.000 0.264 279 H C 1.615 176.889 175.328 -0.090 0.000 1.113 279 H CA 0.055 55.833 56.048 -0.450 0.000 1.194 279 H CB 0.498 29.657 29.762 -1.005 0.000 1.553 279 H HN -0.010 nan 8.280 nan 0.000 0.538 280 V N 1.732 121.701 119.914 0.092 0.000 2.380 280 V HA -0.307 3.879 4.120 0.111 0.000 0.251 280 V C 2.106 178.357 176.094 0.262 0.000 1.063 280 V CA 1.695 64.111 62.300 0.193 0.000 1.055 280 V CB -0.254 31.626 31.823 0.094 0.000 0.657 280 V HN 0.497 nan 8.190 nan 0.000 0.455 281 N N 0.317 119.109 118.700 0.155 0.000 2.018 281 N HA -0.227 4.579 4.740 0.111 0.000 0.196 281 N C 1.854 177.507 175.510 0.239 0.000 1.043 281 N CA 1.941 55.081 53.050 0.150 0.000 0.856 281 N CB -0.334 38.199 38.487 0.077 0.000 1.042 281 N HN 0.615 nan 8.380 nan 0.000 0.423 282 E N 0.119 120.503 120.200 0.306 0.000 2.085 282 E HA -0.166 4.251 4.350 0.111 0.000 0.194 282 E C 1.812 178.797 176.600 0.641 0.000 0.994 282 E CA 0.651 57.328 56.400 0.461 0.000 0.801 282 E CB -0.253 29.830 29.700 0.638 0.000 0.743 282 E HN 0.244 nan 8.360 nan 0.000 0.453 283 F N 2.069 122.326 119.950 0.511 0.000 2.120 283 F HA -0.211 4.382 4.527 0.111 0.000 0.300 283 F C 1.734 177.671 175.800 0.229 0.000 1.095 283 F CA 1.575 59.764 58.000 0.315 0.000 1.249 283 F CB 0.086 39.183 39.000 0.162 0.000 0.995 283 F HN -0.204 nan 8.300 nan 0.000 0.480 284 K N -0.135 120.401 120.400 0.227 0.000 2.525 284 K HA 0.003 4.390 4.320 0.111 0.000 0.192 284 K C 0.749 177.405 176.600 0.092 0.000 1.029 284 K CA 0.384 56.720 56.287 0.082 0.000 1.029 284 K CB -0.165 32.417 32.500 0.136 0.000 0.814 284 K HN 0.099 nan 8.250 nan 0.000 0.503 285 S N 2.052 117.859 115.700 0.178 0.000 2.414 285 S HA 0.094 4.630 4.470 0.111 0.000 0.290 285 S C 1.041 175.713 174.600 0.121 0.000 1.160 285 S CA -0.618 57.665 58.200 0.139 0.000 1.069 285 S CB -0.027 63.263 63.200 0.149 0.000 1.012 285 S HN 0.355 nan 8.310 nan 0.000 0.510 286 I N 1.939 122.548 120.570 0.066 0.000 3.444 286 I HA 0.195 4.432 4.170 0.111 0.000 0.287 286 I C 1.020 177.152 176.117 0.024 0.000 1.302 286 I CA 0.512 61.843 61.300 0.052 0.000 1.368 286 I CB -0.116 37.904 38.000 0.034 0.000 1.048 286 I HN 0.445 nan 8.210 nan 0.000 0.487 287 E N 1.348 121.551 120.200 0.005 0.000 2.318 287 E HA 0.011 4.427 4.350 0.111 0.000 0.193 287 E C 1.901 178.447 176.600 -0.090 0.000 0.998 287 E CA 0.476 56.861 56.400 -0.025 0.000 0.859 287 E CB 0.159 29.851 29.700 -0.013 0.000 0.812 287 E HN 0.481 nan 8.360 nan 0.000 0.492 288 K N -0.441 119.866 120.400 -0.156 0.000 2.121 288 K HA 0.129 4.516 4.320 0.111 0.000 0.203 288 K C -0.391 175.853 176.600 -0.593 0.000 1.041 288 K CA 0.450 56.476 56.287 -0.435 0.000 0.969 288 K CB 0.316 32.444 32.500 -0.621 0.000 0.799 288 K HN -0.014 nan 8.250 nan 0.000 0.456 289 F N 1.318 121.237 119.950 -0.053 0.000 2.388 289 F HA 0.307 4.900 4.527 0.111 0.000 0.358 289 F C 0.869 176.639 175.800 -0.050 0.000 1.122 289 F CA -0.645 57.310 58.000 -0.074 0.000 1.056 289 F CB 1.616 40.522 39.000 -0.157 0.000 1.155 289 F HN -0.185 nan 8.300 nan 0.000 0.461 290 K N 2.316 122.774 120.400 0.098 0.000 2.242 290 K HA 0.163 4.550 4.320 0.111 0.000 0.200 290 K C 0.210 176.867 176.600 0.095 0.000 1.050 290 K CA 0.723 57.053 56.287 0.071 0.000 0.981 290 K CB 0.260 32.778 32.500 0.030 0.000 0.795 290 K HN 0.581 nan 8.250 nan 0.000 0.477 291 I N -2.311 118.316 120.570 0.096 0.000 3.067 291 I HA 0.508 4.745 4.170 0.111 0.000 0.312 291 I C -0.448 175.754 176.117 0.142 0.000 1.073 291 I CA -1.382 59.964 61.300 0.076 0.000 1.016 291 I CB 1.084 39.064 38.000 -0.033 0.000 1.227 291 I HN -0.075 nan 8.210 nan 0.000 0.456 292 F N 0.172 120.071 119.950 -0.084 0.000 2.664 292 F HA 0.664 5.258 4.527 0.112 0.000 0.329 292 F C -0.766 174.954 175.800 -0.134 0.000 1.090 292 F CA -1.107 56.828 58.000 -0.108 0.000 0.978 292 F CB 0.984 39.902 39.000 -0.138 0.000 1.378 292 F HN 0.603 nan 8.300 nan 0.000 0.495 293 N N 0.318 119.037 118.700 0.031 0.000 2.419 293 N HA 0.216 5.022 4.740 0.111 0.000 0.264 293 N C 0.544 175.976 175.510 -0.131 0.000 1.031 293 N CA 0.188 53.200 53.050 -0.063 0.000 0.951 293 N CB 1.510 40.038 38.487 0.069 0.000 1.101 293 N HN 0.842 nan 8.380 nan 0.000 0.488 294 T N 0.807 115.193 114.554 -0.280 0.000 3.043 294 T HA 0.058 4.475 4.350 0.111 0.000 0.263 294 T C 0.830 175.547 174.700 0.029 0.000 1.094 294 T CA 0.598 62.557 62.100 -0.234 0.000 1.127 294 T CB -0.183 68.591 68.868 -0.156 0.000 0.905 294 T HN 0.642 nan 8.240 nan 0.000 0.490 295 N N -0.020 118.680 118.700 0.000 0.000 2.955 295 N HA -0.147 4.660 4.740 0.111 0.000 0.199 295 N C -1.024 174.457 175.510 -0.049 0.000 0.939 295 N CA 0.768 53.799 53.050 -0.032 0.000 1.028 295 N CB -2.140 36.279 38.487 -0.114 0.000 1.000 295 N HN 0.376 nan 8.380 nan 0.000 0.577 296 N N 1.413 120.116 118.700 0.006 0.000 2.411 296 N HA 0.097 4.904 4.740 0.111 0.000 0.282 296 N C -0.519 175.055 175.510 0.106 0.000 1.322 296 N CA 0.759 53.844 53.050 0.058 0.000 0.943 296 N CB -0.117 38.517 38.487 0.245 0.000 1.266 296 N HN 0.399 nan 8.380 nan 0.000 0.486 297 L N 2.013 123.216 121.223 -0.034 0.000 2.362 297 L HA 0.540 4.947 4.340 0.111 0.000 0.275 297 L C -0.687 176.106 176.870 -0.129 0.000 0.998 297 L CA -0.953 53.859 54.840 -0.047 0.000 0.820 297 L CB 1.399 43.403 42.059 -0.091 0.000 1.270 297 L HN 0.281 nan 8.230 nan 0.000 0.415 298 W N 3.094 124.312 121.300 -0.137 0.000 2.475 298 W HA 0.690 5.413 4.660 0.105 0.000 0.317 298 W C -0.848 175.559 176.519 -0.185 0.000 1.046 298 W CA -0.632 56.689 57.345 -0.041 0.000 1.215 298 W CB 1.843 31.267 29.460 -0.060 0.000 1.335 298 W HN 0.014 nan 8.180 nan 0.000 0.471 299 V N 3.461 123.463 119.914 0.147 0.000 2.686 299 V HA 0.280 4.467 4.120 0.111 0.000 0.306 299 V C -0.054 176.083 176.094 0.071 0.000 1.065 299 V CA -1.420 60.867 62.300 -0.023 0.000 0.894 299 V CB 1.642 33.389 31.823 -0.126 0.000 1.004 299 V HN 0.545 nan 8.190 nan 0.000 0.424 300 N N 3.362 121.991 118.700 -0.117 0.000 2.483 300 N HA 0.188 4.995 4.740 0.111 0.000 0.264 300 N C 0.870 176.310 175.510 -0.116 0.000 1.197 300 N CA 0.023 52.760 53.050 -0.523 0.000 0.927 300 N CB 1.332 39.609 38.487 -0.350 0.000 1.065 300 N HN 0.704 nan 8.380 nan 0.000 0.461 301 L N 3.940 125.078 121.223 -0.141 0.000 2.005 301 L HA -0.156 4.251 4.340 0.111 0.000 0.207 301 L C 2.323 179.225 176.870 0.054 0.000 1.072 301 L CA 1.258 56.110 54.840 0.021 0.000 0.744 301 L CB -0.340 41.735 42.059 0.027 0.000 0.895 301 L HN 0.591 nan 8.230 nan 0.000 0.433 302 K N 0.276 120.681 120.400 0.009 0.000 2.063 302 K HA -0.192 4.195 4.320 0.111 0.000 0.208 302 K C 2.209 178.831 176.600 0.036 0.000 1.048 302 K CA 1.499 57.798 56.287 0.020 0.000 0.928 302 K CB -0.334 32.167 32.500 0.002 0.000 0.713 302 K HN 0.295 nan 8.250 nan 0.000 0.442 303 A N 1.418 124.280 122.820 0.070 0.000 1.978 303 A HA -0.177 4.210 4.320 0.111 0.000 0.220 303 A C 2.085 179.706 177.584 0.062 0.000 1.170 303 A CA 1.332 53.419 52.037 0.084 0.000 0.636 303 A CB -0.554 18.619 19.000 0.289 0.000 0.810 303 A HN 0.191 nan 8.150 nan 0.000 0.448 304 I N -0.733 119.975 120.570 0.230 0.000 2.110 304 I HA -0.264 3.973 4.170 0.111 0.000 0.236 304 I C 2.544 178.710 176.117 0.082 0.000 1.068 304 I CA 1.888 63.325 61.300 0.229 0.000 1.333 304 I CB -0.315 37.876 38.000 0.318 0.000 1.054 304 I HN 0.404 nan 8.210 nan 0.000 0.402 305 K N 1.546 121.990 120.400 0.073 0.000 2.059 305 K HA -0.316 4.071 4.320 0.111 0.000 0.212 305 K C 2.233 178.828 176.600 -0.009 0.000 1.050 305 K CA 2.173 58.479 56.287 0.032 0.000 0.927 305 K CB -0.194 32.322 32.500 0.027 0.000 0.714 305 K HN 0.122 nan 8.250 nan 0.000 0.447 306 K N 0.591 120.974 120.400 -0.028 0.000 2.032 306 K HA -0.163 4.224 4.320 0.111 0.000 0.209 306 K C 2.147 178.686 176.600 -0.101 0.000 1.048 306 K CA 1.782 58.034 56.287 -0.059 0.000 0.927 306 K CB -0.134 32.327 32.500 -0.066 0.000 0.712 306 K HN 0.232 nan 8.250 nan 0.000 0.441 307 L N 0.422 121.548 121.223 -0.161 0.000 2.156 307 L HA -0.109 4.298 4.340 0.111 0.000 0.208 307 L C 2.353 179.128 176.870 -0.158 0.000 1.095 307 L CA 0.387 55.091 54.840 -0.226 0.000 0.770 307 L CB -0.164 41.650 42.059 -0.407 0.000 0.914 307 L HN 0.035 nan 8.230 nan 0.000 0.439 308 V N -0.183 119.685 119.914 -0.078 0.000 2.346 308 V HA -0.191 3.996 4.120 0.111 0.000 0.244 308 V C 2.297 178.370 176.094 -0.034 0.000 1.037 308 V CA 1.527 63.809 62.300 -0.030 0.000 1.029 308 V CB -0.324 31.519 31.823 0.034 0.000 0.663 308 V HN 0.427 nan 8.190 nan 0.000 0.454 309 E N 0.508 120.689 120.200 -0.032 0.000 2.204 309 E HA -0.116 4.301 4.350 0.111 0.000 0.194 309 E C 1.903 178.480 176.600 -0.038 0.000 0.989 309 E CA 1.150 57.533 56.400 -0.028 0.000 0.824 309 E CB -0.191 29.496 29.700 -0.022 0.000 0.756 309 E HN 0.570 nan 8.360 nan 0.000 0.477 310 A N 1.308 124.092 122.820 -0.059 0.000 2.278 310 A HA -0.001 4.385 4.320 0.111 0.000 0.212 310 A C 0.386 177.924 177.584 -0.076 0.000 1.213 310 A CA 0.320 52.318 52.037 -0.065 0.000 0.840 310 A CB -0.110 18.842 19.000 -0.080 0.000 0.866 310 A HN 0.221 nan 8.150 nan 0.000 0.489 311 D N -2.185 118.171 120.400 -0.073 0.000 2.701 311 D HA -0.236 4.471 4.640 0.111 0.000 0.235 311 D C 0.985 177.208 176.300 -0.128 0.000 1.155 311 D CA 0.919 54.875 54.000 -0.073 0.000 0.649 311 D CB -1.014 39.761 40.800 -0.042 0.000 1.050 311 D HN 0.523 nan 8.370 nan 0.000 0.425 312 A N -0.241 122.459 122.820 -0.201 0.000 1.855 312 A HA 0.153 4.539 4.320 0.111 0.000 0.213 312 A C 1.219 178.427 177.584 -0.627 0.000 1.195 312 A CA 0.358 52.194 52.037 -0.335 0.000 0.610 312 A CB -0.155 18.641 19.000 -0.339 0.000 0.837 312 A HN 0.395 nan 8.150 nan 0.000 0.444 313 L N 0.276 121.098 121.223 -0.669 0.000 2.628 313 L HA -0.044 4.362 4.340 0.111 0.000 0.292 313 L C 0.363 176.924 176.870 -0.515 0.000 1.250 313 L CA 0.491 54.819 54.840 -0.854 0.000 0.892 313 L CB 0.066 41.972 42.059 -0.256 0.000 1.138 313 L HN 0.198 nan 8.230 nan 0.000 0.502 314 K N 4.101 124.292 120.400 -0.348 0.000 3.350 314 K HA 0.303 4.690 4.320 0.111 0.000 0.167 314 K C -0.849 175.973 176.600 0.370 0.000 1.058 314 K CA -0.480 55.890 56.287 0.138 0.000 0.783 314 K CB 0.524 33.141 32.500 0.196 0.000 0.872 314 K HN 0.409 nan 8.250 nan 0.000 0.561 315 M N 1.283 121.080 119.600 0.328 0.000 2.249 315 M HA 0.084 4.631 4.480 0.111 0.000 0.340 315 M C 0.378 176.803 176.300 0.208 0.000 1.166 315 M CA 0.327 55.804 55.300 0.296 0.000 1.115 315 M CB 0.249 33.017 32.600 0.281 0.000 1.606 315 M HN 0.062 nan 8.290 nan 0.000 0.448 316 E N 2.344 122.638 120.200 0.157 0.000 2.415 316 E HA 0.081 4.498 4.350 0.111 0.000 0.263 316 E C -0.604 176.081 176.600 0.142 0.000 0.995 316 E CA 0.055 56.529 56.400 0.123 0.000 0.915 316 E CB 0.204 29.945 29.700 0.069 0.000 0.951 316 E HN 0.317 nan 8.360 nan 0.000 0.449 317 I N 4.073 124.743 120.570 0.165 0.000 2.556 317 I HA -0.002 4.235 4.170 0.111 0.000 0.284 317 I C 0.476 176.688 176.117 0.159 0.000 1.114 317 I CA 0.169 61.584 61.300 0.192 0.000 1.418 317 I CB -0.067 38.095 38.000 0.270 0.000 1.394 317 I HN 0.501 nan 8.210 nan 0.000 0.552 318 I N 9.221 129.866 120.570 0.125 0.000 2.282 318 I HA 0.128 4.365 4.170 0.111 0.000 0.290 318 I C -1.321 174.831 176.117 0.059 0.000 1.090 318 I CA -1.462 59.887 61.300 0.081 0.000 1.231 318 I CB 0.655 38.688 38.000 0.054 0.000 1.434 318 I HN 0.347 nan 8.210 nan 0.000 0.487 319 P HA -0.275 nan 4.420 nan 0.000 0.210 319 P C 0.078 177.328 177.300 -0.084 0.000 1.151 319 P CA 1.384 64.477 63.100 -0.011 0.000 0.949 319 P CB 0.016 31.788 31.700 0.119 0.000 0.786 320 N N -2.575 116.099 118.700 -0.045 0.000 2.522 320 N HA -0.088 4.719 4.740 0.111 0.000 0.281 320 N C -2.669 172.771 175.510 -0.116 0.000 1.267 320 N CA 0.133 53.142 53.050 -0.069 0.000 0.675 320 N CB -0.729 37.721 38.487 -0.062 0.000 0.890 320 N HN 0.087 nan 8.380 nan 0.000 0.542 321 P HA 0.383 nan 4.420 nan 0.000 0.290 321 P C -0.882 176.362 177.300 -0.092 0.000 1.275 321 P CA -0.251 62.787 63.100 -0.104 0.000 0.841 321 P CB 1.360 33.022 31.700 -0.063 0.000 1.042 322 K N 0.705 121.036 120.400 -0.115 0.000 2.508 322 K HA 0.372 4.759 4.320 0.111 0.000 0.260 322 K C -0.894 175.641 176.600 -0.109 0.000 0.949 322 K CA -0.665 55.569 56.287 -0.087 0.000 0.834 322 K CB 2.572 35.032 32.500 -0.067 0.000 1.365 322 K HN 0.433 nan 8.250 nan 0.000 0.437 323 E N 1.671 121.825 120.200 -0.076 0.000 2.166 323 E HA 0.396 4.813 4.350 0.111 0.000 0.275 323 E C -1.432 175.136 176.600 -0.053 0.000 0.941 323 E CA -0.827 55.520 56.400 -0.087 0.000 0.784 323 E CB 1.435 31.101 29.700 -0.056 0.000 1.115 323 E HN 0.241 nan 8.360 nan 0.000 0.399 324 V N 4.302 124.172 119.914 -0.073 0.000 2.445 324 V HA 0.216 4.403 4.120 0.111 0.000 0.283 324 V C -0.417 175.735 176.094 0.097 0.000 1.014 324 V CA -0.796 61.532 62.300 0.047 0.000 0.852 324 V CB 1.369 33.285 31.823 0.155 0.000 1.021 324 V HN 0.974 nan 8.190 nan 0.000 0.435 325 D N 3.631 124.084 120.400 0.088 0.000 2.981 325 D HA -0.211 4.496 4.640 0.111 0.000 0.223 325 D C 1.286 177.617 176.300 0.052 0.000 1.151 325 D CA 1.580 55.633 54.000 0.088 0.000 0.827 325 D CB -1.027 39.861 40.800 0.148 0.000 1.101 325 D HN 1.498 nan 8.370 nan 0.000 0.426 326 G N -1.512 107.295 108.800 0.012 0.000 2.194 326 G HA2 -0.311 3.715 3.960 0.111 0.000 0.236 326 G HA3 -0.311 3.715 3.960 0.111 0.000 0.236 326 G C 0.329 175.197 174.900 -0.054 0.000 0.987 326 G CA 0.161 45.253 45.100 -0.013 0.000 0.635 326 G HN 0.539 nan 8.290 nan 0.000 0.520 327 V N 2.267 122.126 119.914 -0.091 0.000 2.385 327 V HA 0.339 4.525 4.120 0.111 0.000 0.269 327 V C 0.698 176.605 176.094 -0.313 0.000 1.043 327 V CA -0.429 61.733 62.300 -0.230 0.000 0.906 327 V CB 1.296 32.895 31.823 -0.374 0.000 0.995 327 V HN 0.290 nan 8.190 nan 0.000 0.467 328 K N 4.425 124.674 120.400 -0.251 0.000 2.349 328 K HA 0.462 4.849 4.320 0.111 0.000 0.289 328 K C -0.205 176.201 176.600 -0.323 0.000 1.064 328 K CA -0.140 56.011 56.287 -0.226 0.000 0.947 328 K CB 1.238 33.655 32.500 -0.137 0.000 1.007 328 K HN 0.653 nan 8.250 nan 0.000 0.478 329 V N 0.886 120.597 119.914 -0.340 0.000 3.113 329 V HA 0.630 4.817 4.120 0.111 0.000 0.316 329 V C -0.766 175.154 176.094 -0.290 0.000 1.125 329 V CA -1.242 60.825 62.300 -0.389 0.000 1.026 329 V CB 1.627 33.148 31.823 -0.502 0.000 1.080 329 V HN 0.571 nan 8.190 nan 0.000 0.444 330 L N 1.620 122.644 121.223 -0.330 0.000 2.356 330 L HA 0.581 4.988 4.340 0.111 0.000 0.277 330 L C -0.484 176.083 176.870 -0.504 0.000 0.996 330 L CA -0.408 54.231 54.840 -0.334 0.000 0.822 330 L CB 1.970 43.843 42.059 -0.310 0.000 1.256 330 L HN 0.735 nan 8.230 nan 0.000 0.413 331 Q N 3.888 123.334 119.800 -0.589 0.000 2.394 331 Q HA 0.389 4.796 4.340 0.111 0.000 0.259 331 Q C -1.201 174.421 176.000 -0.630 0.000 1.021 331 Q CA -1.030 54.035 55.803 -1.229 0.000 0.805 331 Q CB 2.373 30.662 28.738 -0.747 0.000 1.226 331 Q HN 0.341 nan 8.270 nan 0.000 0.476 332 L N 3.599 124.625 121.223 -0.327 0.000 2.325 332 L HA 0.224 4.631 4.340 0.111 0.000 0.284 332 L C 0.169 177.298 176.870 0.433 0.000 1.089 332 L CA 0.707 55.649 54.840 0.170 0.000 0.836 332 L CB 0.266 42.537 42.059 0.354 0.000 1.184 332 L HN 0.561 nan 8.230 nan 0.000 0.444 333 E N 1.115 121.464 120.200 0.248 0.000 2.393 333 E HA 0.827 5.243 4.350 0.111 0.000 0.265 333 E C -0.631 176.069 176.600 0.167 0.000 0.941 333 E CA -0.877 55.665 56.400 0.236 0.000 0.801 333 E CB 2.200 31.995 29.700 0.159 0.000 1.313 333 E HN 0.526 nan 8.360 nan 0.000 0.435 334 T N -2.669 111.964 114.554 0.131 0.000 2.843 334 T HA 0.758 5.175 4.350 0.111 0.000 0.302 334 T C -1.097 173.647 174.700 0.074 0.000 1.232 334 T CA -0.984 61.193 62.100 0.129 0.000 1.009 334 T CB 1.535 70.520 68.868 0.194 0.000 1.254 334 T HN 0.523 nan 8.240 nan 0.000 0.504 335 A N 0.540 123.434 122.820 0.123 0.000 2.325 335 A HA 0.873 5.260 4.320 0.111 0.000 0.333 335 A C 1.398 179.215 177.584 0.388 0.000 1.155 335 A CA -0.371 51.779 52.037 0.188 0.000 0.814 335 A CB 0.790 19.906 19.000 0.193 0.000 1.206 335 A HN 1.496 nan 8.150 nan 0.000 0.482 336 A N 2.021 125.196 122.820 0.591 0.000 1.855 336 A HA 0.147 4.533 4.320 0.111 0.000 0.215 336 A C 2.154 180.032 177.584 0.491 0.000 1.191 336 A CA 2.074 54.401 52.037 0.482 0.000 0.613 336 A CB -1.314 17.805 19.000 0.197 0.000 0.829 336 A HN 1.625 nan 8.150 nan 0.000 0.442 337 G N -0.577 108.437 108.800 0.358 0.000 2.516 337 G HA2 -0.021 4.006 3.960 0.111 0.000 0.221 337 G HA3 -0.021 4.006 3.960 0.111 0.000 0.221 337 G C 1.437 176.438 174.900 0.167 0.000 1.107 337 G CA 1.319 46.597 45.100 0.298 0.000 0.747 337 G HN 0.859 nan 8.290 nan 0.000 0.567 338 A N 0.524 123.463 122.820 0.198 0.000 2.119 338 A HA 0.484 4.870 4.320 0.111 0.000 0.217 338 A C 2.585 180.210 177.584 0.069 0.000 1.153 338 A CA 1.529 53.634 52.037 0.112 0.000 0.692 338 A CB -0.284 18.813 19.000 0.160 0.000 0.799 338 A HN 0.663 nan 8.150 nan 0.000 0.458 339 A N -0.221 122.677 122.820 0.130 0.000 2.168 339 A HA 0.065 4.452 4.320 0.111 0.000 0.215 339 A C 1.865 179.323 177.584 -0.212 0.000 1.152 339 A CA 0.850 52.980 52.037 0.155 0.000 0.716 339 A CB -0.620 18.451 19.000 0.117 0.000 0.794 339 A HN 0.582 nan 8.150 nan 0.000 0.465 340 I N 0.553 120.682 120.570 -0.735 0.000 2.399 340 I HA -0.361 3.875 4.170 0.111 0.000 0.254 340 I C 2.595 178.514 176.117 -0.330 0.000 1.146 340 I CA 1.966 62.678 61.300 -0.980 0.000 1.412 340 I CB -0.032 37.599 38.000 -0.615 0.000 1.076 340 I HN 0.569 nan 8.210 nan 0.000 0.432 341 R N -0.377 119.929 120.500 -0.323 0.000 2.153 341 R HA -0.096 4.310 4.340 0.111 0.000 0.218 341 R C 1.676 177.805 176.300 -0.285 0.000 1.072 341 R CA 1.136 57.039 56.100 -0.329 0.000 0.990 341 R CB -0.806 29.208 30.300 -0.478 0.000 0.889 341 R HN 0.237 nan 8.270 nan 0.000 0.452 342 F N 0.526 120.479 119.950 0.005 0.000 2.811 342 F HA 0.262 4.855 4.527 0.111 0.000 0.301 342 F C 0.168 175.828 175.800 -0.234 0.000 1.151 342 F CA -0.257 57.672 58.000 -0.117 0.000 1.412 342 F CB -0.059 38.812 39.000 -0.216 0.000 1.113 342 F HN -0.170 nan 8.300 nan 0.000 0.579 343 F N 0.391 120.374 119.950 0.055 0.000 2.421 343 F HA 0.282 4.876 4.527 0.112 0.000 0.337 343 F C 0.519 176.365 175.800 0.077 0.000 1.105 343 F CA -1.424 56.627 58.000 0.084 0.000 1.049 343 F CB 0.502 39.592 39.000 0.150 0.000 1.139 343 F HN -0.263 nan 8.300 nan 0.000 0.479 344 D N 2.154 122.679 120.400 0.209 0.000 2.443 344 D HA -0.051 4.655 4.640 0.111 0.000 0.239 344 D C 0.571 176.980 176.300 0.181 0.000 1.136 344 D CA 0.636 54.724 54.000 0.148 0.000 0.879 344 D CB 0.258 41.120 40.800 0.103 0.000 1.195 344 D HN 0.561 nan 8.370 nan 0.000 0.443 345 N N 0.286 119.065 118.700 0.132 0.000 2.714 345 N HA -0.248 4.559 4.740 0.111 0.000 0.252 345 N C -1.117 174.494 175.510 0.168 0.000 1.014 345 N CA 0.701 53.828 53.050 0.127 0.000 0.735 345 N CB -0.735 37.821 38.487 0.114 0.000 0.924 345 N HN 0.503 nan 8.380 nan 0.000 0.540 346 A N 0.530 123.460 122.820 0.182 0.000 2.454 346 A HA 0.487 4.874 4.320 0.111 0.000 0.260 346 A C 1.074 178.757 177.584 0.164 0.000 1.106 346 A CA 0.100 52.269 52.037 0.220 0.000 0.780 346 A CB 0.013 19.124 19.000 0.184 0.000 1.044 346 A HN 0.599 nan 8.150 nan 0.000 0.498 347 I N -0.328 120.351 120.570 0.181 0.000 3.690 347 I HA 1.034 5.271 4.170 0.111 0.000 0.280 347 I C 0.262 176.456 176.117 0.128 0.000 1.145 347 I CA -1.218 60.155 61.300 0.122 0.000 1.144 347 I CB 1.968 40.022 38.000 0.090 0.000 1.378 347 I HN 0.703 nan 8.210 nan 0.000 0.478 348 G N 0.004 108.842 108.800 0.063 0.000 2.703 348 G HA2 0.536 4.562 3.960 0.111 0.000 0.294 348 G HA3 0.536 4.562 3.960 0.111 0.000 0.294 348 G C -2.224 172.665 174.900 -0.018 0.000 1.451 348 G CA -0.521 44.610 45.100 0.052 0.000 0.869 348 G HN 0.683 nan 8.290 nan 0.000 0.516 349 V N 1.255 121.146 119.914 -0.038 0.000 2.531 349 V HA 0.665 4.852 4.120 0.111 0.000 0.301 349 V C -1.028 175.032 176.094 -0.056 0.000 1.034 349 V CA -1.134 61.122 62.300 -0.074 0.000 0.865 349 V CB 1.800 33.545 31.823 -0.129 0.000 0.995 349 V HN 0.742 nan 8.190 nan 0.000 0.424 350 N N 5.329 124.003 118.700 -0.044 0.000 2.408 350 N HA 0.472 5.279 4.740 0.111 0.000 0.257 350 N C -0.547 174.941 175.510 -0.037 0.000 1.064 350 N CA 0.091 53.107 53.050 -0.057 0.000 0.952 350 N CB 1.367 39.831 38.487 -0.039 0.000 1.093 350 N HN 0.758 nan 8.380 nan 0.000 0.490 351 V N 2.013 121.852 119.914 -0.125 0.000 3.158 351 V HA 0.815 5.002 4.120 0.111 0.000 0.315 351 V C -2.532 173.452 176.094 -0.184 0.000 1.148 351 V CA -2.389 59.769 62.300 -0.236 0.000 1.042 351 V CB 1.429 32.942 31.823 -0.517 0.000 1.101 351 V HN 0.422 nan 8.190 nan 0.000 0.448 352 P HA 0.303 nan 4.420 nan 0.000 0.269 352 P C 0.235 177.501 177.300 -0.055 0.000 1.215 352 P CA -0.152 62.903 63.100 -0.075 0.000 0.780 352 P CB 0.421 32.096 31.700 -0.042 0.000 0.898 353 R N 1.601 122.112 120.500 0.019 0.000 2.285 353 R HA -0.079 4.327 4.340 0.111 0.000 0.213 353 R C 1.415 177.779 176.300 0.106 0.000 1.068 353 R CA 1.187 57.343 56.100 0.093 0.000 1.004 353 R CB -0.379 30.011 30.300 0.149 0.000 0.873 353 R HN 0.569 nan 8.270 nan 0.000 0.467 354 S N -0.289 115.446 115.700 0.059 0.000 2.595 354 S HA -0.002 4.534 4.470 0.111 0.000 0.235 354 S C 1.206 175.835 174.600 0.049 0.000 0.974 354 S CA 0.310 58.544 58.200 0.056 0.000 0.942 354 S CB 0.076 63.306 63.200 0.051 0.000 0.766 354 S HN 0.234 nan 8.310 nan 0.000 0.536 355 R N -0.275 120.262 120.500 0.063 0.000 2.437 355 R HA 0.336 4.743 4.340 0.111 0.000 0.257 355 R C -0.617 175.788 176.300 0.176 0.000 0.927 355 R CA -0.066 56.086 56.100 0.088 0.000 1.078 355 R CB -0.182 30.138 30.300 0.034 0.000 1.161 355 R HN 0.534 nan 8.270 nan 0.000 0.529 356 F N 1.494 121.443 119.950 -0.002 0.000 2.471 356 F HA 0.339 4.932 4.527 0.110 0.000 0.318 356 F C -0.912 174.904 175.800 0.027 0.000 1.308 356 F CA -1.666 56.346 58.000 0.020 0.000 1.162 356 F CB 0.371 39.395 39.000 0.040 0.000 1.383 356 F HN -0.231 nan 8.300 nan 0.000 0.552 357 L N 7.164 128.258 121.223 -0.215 0.000 2.426 357 L HA 0.606 5.013 4.340 0.111 0.000 0.255 357 L C -2.744 173.932 176.870 -0.323 0.000 1.080 357 L CA -2.186 52.481 54.840 -0.288 0.000 0.960 357 L CB 0.442 42.378 42.059 -0.206 0.000 1.326 357 L HN 0.121 nan 8.230 nan 0.000 0.441 358 P HA 0.344 nan 4.420 nan 0.000 0.285 358 P C -1.295 175.862 177.300 -0.238 0.000 1.280 358 P CA -0.550 62.347 63.100 -0.338 0.000 0.862 358 P CB 2.513 33.948 31.700 -0.442 0.000 1.153 359 V N 3.421 123.241 119.914 -0.157 0.000 2.313 359 V HA 0.246 4.433 4.120 0.111 0.000 0.278 359 V C 0.962 176.969 176.094 -0.145 0.000 1.017 359 V CA -0.213 62.031 62.300 -0.094 0.000 0.823 359 V CB 0.958 32.868 31.823 0.144 0.000 1.010 359 V HN 0.539 nan 8.190 nan 0.000 0.443 360 K N 2.621 122.941 120.400 -0.132 0.000 2.399 360 K HA 0.580 4.967 4.320 0.111 0.000 0.196 360 K C 0.493 177.034 176.600 -0.099 0.000 1.117 360 K CA 0.703 56.923 56.287 -0.113 0.000 0.965 360 K CB 1.228 33.675 32.500 -0.089 0.000 0.983 360 K HN 0.668 nan 8.250 nan 0.000 0.531 361 A N -0.330 122.423 122.820 -0.113 0.000 2.552 361 A HA 0.496 4.883 4.320 0.111 0.000 0.288 361 A C 0.793 178.252 177.584 -0.208 0.000 1.193 361 A CA -0.329 51.633 52.037 -0.124 0.000 0.713 361 A CB 0.856 19.799 19.000 -0.095 0.000 1.305 361 A HN -0.095 nan 8.150 nan 0.000 0.424 362 S N -0.164 115.370 115.700 -0.276 0.000 2.419 362 S HA -0.134 4.403 4.470 0.111 0.000 0.233 362 S C 2.076 176.319 174.600 -0.594 0.000 1.016 362 S CA 2.036 59.867 58.200 -0.616 0.000 0.974 362 S CB -0.440 62.380 63.200 -0.634 0.000 0.786 362 S HN 1.129 nan 8.310 nan 0.000 0.492 363 S N 1.409 116.942 115.700 -0.278 0.000 2.419 363 S HA -0.103 4.433 4.470 0.111 0.000 0.233 363 S C 1.224 175.716 174.600 -0.180 0.000 1.016 363 S CA 1.093 59.187 58.200 -0.178 0.000 0.974 363 S CB -0.338 62.798 63.200 -0.107 0.000 0.786 363 S HN 0.443 nan 8.310 nan 0.000 0.492 364 D N 1.451 121.733 120.400 -0.197 0.000 2.249 364 D HA 0.155 4.861 4.640 0.111 0.000 0.205 364 D C 1.895 178.083 176.300 -0.186 0.000 0.962 364 D CA 0.464 54.363 54.000 -0.170 0.000 0.860 364 D CB -0.182 40.523 40.800 -0.157 0.000 0.955 364 D HN 0.382 nan 8.370 nan 0.000 0.505 365 L N 0.682 121.752 121.223 -0.254 0.000 2.141 365 L HA -0.059 4.348 4.340 0.111 0.000 0.209 365 L C 2.485 179.294 176.870 -0.101 0.000 1.094 365 L CA 0.369 55.079 54.840 -0.216 0.000 0.763 365 L CB -0.170 41.681 42.059 -0.345 0.000 0.908 365 L HN 0.049 nan 8.230 nan 0.000 0.437 366 L N -0.376 120.794 121.223 -0.088 0.000 2.046 366 L HA -0.245 4.161 4.340 0.111 0.000 0.208 366 L C 2.508 179.337 176.870 -0.070 0.000 1.077 366 L CA 1.235 56.068 54.840 -0.012 0.000 0.747 366 L CB -0.051 41.961 42.059 -0.078 0.000 0.896 366 L HN 0.204 nan 8.230 nan 0.000 0.432 367 L N -0.546 120.633 121.223 -0.073 0.000 1.944 367 L HA -0.248 4.158 4.340 0.111 0.000 0.218 367 L C 2.549 179.428 176.870 0.015 0.000 1.075 367 L CA 2.085 56.915 54.840 -0.017 0.000 0.767 367 L CB -0.641 41.393 42.059 -0.042 0.000 0.890 367 L HN 0.350 nan 8.230 nan 0.000 0.434 368 V N -3.678 116.151 119.914 -0.140 0.000 2.913 368 V HA -0.194 3.993 4.120 0.111 0.000 0.260 368 V C 1.717 177.767 176.094 -0.074 0.000 1.098 368 V CA 1.206 63.374 62.300 -0.220 0.000 1.121 368 V CB -0.593 31.014 31.823 -0.360 0.000 0.714 368 V HN 0.522 nan 8.190 nan 0.000 0.487 369 Q N 1.155 120.928 119.800 -0.046 0.000 2.319 369 Q HA 0.196 4.602 4.340 0.111 0.000 0.202 369 Q C 1.394 177.384 176.000 -0.016 0.000 0.896 369 Q CA 0.484 56.272 55.803 -0.025 0.000 0.942 369 Q CB 0.549 29.285 28.738 -0.004 0.000 1.083 369 Q HN 0.919 nan 8.270 nan 0.000 0.510 370 S N 0.512 116.210 115.700 -0.003 0.000 2.495 370 S HA 0.048 4.585 4.470 0.111 0.000 0.273 370 S C 0.829 175.435 174.600 0.011 0.000 1.156 370 S CA -0.090 58.100 58.200 -0.016 0.000 1.032 370 S CB 0.326 63.506 63.200 -0.034 0.000 1.160 370 S HN 0.206 nan 8.310 nan 0.000 0.489 371 D N -0.535 119.861 120.400 -0.007 0.000 2.339 371 D HA 0.027 4.734 4.640 0.111 0.000 0.217 371 D C 1.510 177.786 176.300 -0.039 0.000 1.050 371 D CA -0.072 53.921 54.000 -0.013 0.000 0.856 371 D CB -0.357 40.431 40.800 -0.020 0.000 0.922 371 D HN 0.336 nan 8.370 nan 0.000 0.518 372 L N -0.761 120.440 121.223 -0.037 0.000 2.376 372 L HA 0.178 4.584 4.340 0.111 0.000 0.219 372 L C -0.651 175.984 176.870 -0.392 0.000 1.133 372 L CA 0.906 55.648 54.840 -0.163 0.000 0.816 372 L CB -0.394 41.610 42.059 -0.091 0.000 0.933 372 L HN -0.075 nan 8.230 nan 0.000 0.449 373 Y N -2.295 117.971 120.300 -0.056 0.000 2.615 373 Y HA 0.573 5.189 4.550 0.110 0.000 0.341 373 Y C 0.049 175.919 175.900 -0.051 0.000 1.089 373 Y CA -0.750 57.311 58.100 -0.066 0.000 1.049 373 Y CB 1.682 40.089 38.460 -0.089 0.000 1.296 373 Y HN -0.249 nan 8.280 nan 0.000 0.470 374 T N 1.105 115.736 114.554 0.128 0.000 2.868 374 T HA 0.562 4.979 4.350 0.111 0.000 0.306 374 T C -2.263 172.479 174.700 0.070 0.000 1.224 374 T CA -0.547 61.596 62.100 0.072 0.000 1.012 374 T CB 1.068 69.965 68.868 0.049 0.000 1.221 374 T HN 0.415 nan 8.240 nan 0.000 0.499 375 L N 3.859 125.113 121.223 0.051 0.000 2.257 375 L HA 0.661 5.067 4.340 0.111 0.000 0.290 375 L C -0.757 176.163 176.870 0.083 0.000 1.044 375 L CA -0.141 54.732 54.840 0.056 0.000 0.810 375 L CB 1.140 43.212 42.059 0.023 0.000 1.193 375 L HN 0.514 nan 8.230 nan 0.000 0.425 376 V N 4.115 124.113 119.914 0.141 0.000 2.320 376 V HA 0.322 4.509 4.120 0.111 0.000 0.268 376 V C -0.824 175.349 176.094 0.132 0.000 1.021 376 V CA -0.914 61.468 62.300 0.137 0.000 0.813 376 V CB 0.658 32.587 31.823 0.177 0.000 1.054 376 V HN 0.806 nan 8.190 nan 0.000 0.444 377 D N 3.184 123.630 120.400 0.078 0.000 2.956 377 D HA -0.149 4.558 4.640 0.111 0.000 0.240 377 D C 1.049 177.398 176.300 0.082 0.000 1.141 377 D CA 1.392 55.423 54.000 0.051 0.000 0.820 377 D CB -0.657 40.149 40.800 0.010 0.000 0.988 377 D HN 1.370 nan 8.370 nan 0.000 0.417 378 G N 1.085 109.941 108.800 0.093 0.000 2.363 378 G HA2 -0.141 3.885 3.960 0.111 0.000 0.286 378 G HA3 -0.141 3.885 3.960 0.111 0.000 0.286 378 G C -0.378 174.671 174.900 0.249 0.000 0.975 378 G CA 0.395 45.563 45.100 0.113 0.000 1.309 378 G HN 0.678 nan 8.290 nan 0.000 0.491 379 F N 1.242 121.199 119.950 0.012 0.000 3.127 379 F HA 0.317 4.918 4.527 0.122 0.000 0.356 379 F C -0.075 175.748 175.800 0.038 0.000 1.208 379 F CA -0.978 57.039 58.000 0.029 0.000 1.250 379 F CB 0.877 39.900 39.000 0.038 0.000 1.581 379 F HN 0.190 nan 8.300 nan 0.000 0.691 380 V N 5.089 124.867 119.914 -0.228 0.000 2.266 380 V HA 0.062 4.249 4.120 0.111 0.000 0.240 380 V C 0.440 176.391 176.094 -0.238 0.000 1.225 380 V CA 0.542 62.716 62.300 -0.209 0.000 1.237 380 V CB -0.544 31.115 31.823 -0.273 0.000 1.343 380 V HN 0.743 nan 8.190 nan 0.000 0.496 381 T N 5.249 119.715 114.554 -0.147 0.000 2.799 381 T HA 0.148 4.565 4.350 0.111 0.000 0.296 381 T C 0.436 175.152 174.700 0.027 0.000 0.947 381 T CA -0.099 61.947 62.100 -0.090 0.000 1.141 381 T CB 0.246 69.185 68.868 0.118 0.000 0.891 381 T HN 0.564 nan 8.240 nan 0.000 0.533 382 R N 3.555 123.989 120.500 -0.110 0.000 2.298 382 R HA 0.079 4.485 4.340 0.111 0.000 0.310 382 R C 0.415 176.541 176.300 -0.290 0.000 1.068 382 R CA -0.673 55.130 56.100 -0.495 0.000 0.957 382 R CB 0.333 30.362 30.300 -0.452 0.000 1.003 382 R HN 0.531 nan 8.270 nan 0.000 0.454 383 N N 3.395 121.902 118.700 -0.323 0.000 2.359 383 N HA -0.112 4.695 4.740 0.111 0.000 0.261 383 N C 0.476 175.908 175.510 -0.131 0.000 1.267 383 N CA 0.479 53.428 53.050 -0.169 0.000 0.864 383 N CB 0.942 39.334 38.487 -0.158 0.000 1.063 383 N HN 0.503 nan 8.380 nan 0.000 0.474 384 K N 3.456 123.814 120.400 -0.070 0.000 2.365 384 K HA 0.037 4.424 4.320 0.111 0.000 0.199 384 K C 1.277 177.851 176.600 -0.044 0.000 1.045 384 K CA 0.602 56.861 56.287 -0.046 0.000 0.962 384 K CB -0.271 32.219 32.500 -0.017 0.000 0.759 384 K HN 0.661 nan 8.250 nan 0.000 0.469 385 A N 1.045 123.836 122.820 -0.048 0.000 2.019 385 A HA -0.129 4.257 4.320 0.111 0.000 0.219 385 A C 1.289 178.846 177.584 -0.044 0.000 1.164 385 A CA 0.454 52.468 52.037 -0.038 0.000 0.644 385 A CB -0.343 18.636 19.000 -0.035 0.000 0.805 385 A HN 0.215 nan 8.150 nan 0.000 0.449 386 R N 1.902 122.362 120.500 -0.066 0.000 2.633 386 R HA 0.065 4.472 4.340 0.111 0.000 0.357 386 R C 1.304 177.577 176.300 -0.045 0.000 0.923 386 R CA 1.054 57.114 56.100 -0.066 0.000 1.046 386 R CB -0.641 29.596 30.300 -0.105 0.000 0.924 386 R HN 0.564 nan 8.270 nan 0.000 0.413 387 T N 1.279 115.816 114.554 -0.030 0.000 2.520 387 T HA -0.162 4.255 4.350 0.111 0.000 0.258 387 T C 0.974 175.664 174.700 -0.015 0.000 1.125 387 T CA 0.731 62.820 62.100 -0.019 0.000 1.206 387 T CB -0.604 68.257 68.868 -0.012 0.000 0.864 387 T HN 0.583 nan 8.240 nan 0.000 0.400 388 N N 3.147 121.840 118.700 -0.013 0.000 2.356 388 N HA 0.015 4.821 4.740 0.111 0.000 0.252 388 N C -2.008 173.497 175.510 -0.009 0.000 1.241 388 N CA -1.091 51.956 53.050 -0.006 0.000 0.861 388 N CB 1.208 39.693 38.487 -0.004 0.000 1.075 388 N HN 0.110 nan 8.380 nan 0.000 0.461 389 P HA 0.024 nan 4.420 nan 0.000 0.225 389 P C -0.198 177.109 177.300 0.012 0.000 1.156 389 P CA 0.766 63.869 63.100 0.005 0.000 0.787 389 P CB 0.295 32.004 31.700 0.015 0.000 0.802 390 S N 0.318 116.027 115.700 0.015 0.000 2.586 390 S HA 0.251 4.788 4.470 0.111 0.000 0.274 390 S C 0.315 174.925 174.600 0.017 0.000 1.281 390 S CA -0.450 57.764 58.200 0.025 0.000 1.035 390 S CB 0.138 63.354 63.200 0.027 0.000 0.962 390 S HN 0.004 nan 8.310 nan 0.000 0.512 391 N N 3.067 121.786 118.700 0.032 0.000 2.524 391 N HA 0.388 5.195 4.740 0.111 0.000 0.283 391 N C -2.405 173.117 175.510 0.019 0.000 1.142 391 N CA -1.484 51.585 53.050 0.030 0.000 0.984 391 N CB 0.195 38.721 38.487 0.064 0.000 1.155 391 N HN 0.371 nan 8.380 nan 0.000 0.467 392 P HA 0.028 nan 4.420 nan 0.000 0.268 392 P C -0.154 177.145 177.300 -0.002 0.000 1.205 392 P CA -0.146 62.954 63.100 0.000 0.000 0.771 392 P CB 0.713 32.408 31.700 -0.009 0.000 0.858 393 S N 1.981 117.679 115.700 -0.003 0.000 2.617 393 S HA 0.486 5.023 4.470 0.111 0.000 0.269 393 S C -0.120 174.468 174.600 -0.021 0.000 1.292 393 S CA -0.602 57.593 58.200 -0.008 0.000 1.010 393 S CB -0.200 62.998 63.200 -0.003 0.000 0.944 393 S HN 0.314 nan 8.310 nan 0.000 0.536 394 I N 2.336 122.888 120.570 -0.030 0.000 2.569 394 I HA 0.344 4.581 4.170 0.111 0.000 0.290 394 I C -0.437 175.654 176.117 -0.044 0.000 1.088 394 I CA -0.249 61.024 61.300 -0.045 0.000 1.047 394 I CB 2.192 40.154 38.000 -0.063 0.000 1.237 394 I HN 0.700 nan 8.210 nan 0.000 0.421 395 E N 7.340 127.513 120.200 -0.045 0.000 3.568 395 E HA 0.388 4.805 4.350 0.111 0.000 0.213 395 E C -1.220 175.346 176.600 -0.056 0.000 1.197 395 E CA -0.364 56.014 56.400 -0.037 0.000 1.126 395 E CB 0.698 30.387 29.700 -0.018 0.000 1.285 395 E HN 0.523 nan 8.360 nan 0.000 0.418 396 L N 1.200 122.372 121.223 -0.085 0.000 2.436 396 L HA 0.447 4.853 4.340 0.111 0.000 0.265 396 L C 1.160 178.031 176.870 0.001 0.000 1.168 396 L CA -0.394 54.359 54.840 -0.145 0.000 0.815 396 L CB 0.833 42.766 42.059 -0.209 0.000 1.109 396 L HN 0.350 nan 8.230 nan 0.000 0.462 397 G N 0.979 109.830 108.800 0.085 0.000 2.543 397 G HA2 0.321 4.347 3.960 0.111 0.000 0.290 397 G HA3 0.321 4.347 3.960 0.111 0.000 0.290 397 G C -1.977 173.043 174.900 0.200 0.000 1.310 397 G CA -0.963 44.223 45.100 0.143 0.000 1.025 397 G HN 0.469 nan 8.290 nan 0.000 0.502 398 P HA -0.059 nan 4.420 nan 0.000 0.219 398 P C 1.260 178.621 177.300 0.103 0.000 1.146 398 P CA 0.999 64.160 63.100 0.102 0.000 0.808 398 P CB 0.241 31.978 31.700 0.063 0.000 0.779 399 E N -1.518 118.750 120.200 0.115 0.000 2.209 399 E HA -0.132 4.285 4.350 0.111 0.000 0.196 399 E C 1.006 177.512 176.600 -0.156 0.000 0.993 399 E CA 1.108 57.480 56.400 -0.048 0.000 0.819 399 E CB -0.765 28.863 29.700 -0.121 0.000 0.745 399 E HN 0.400 nan 8.360 nan 0.000 0.477 400 F N -0.466 119.499 119.950 0.024 0.000 2.653 400 F HA 0.256 4.850 4.527 0.111 0.000 0.304 400 F C 1.823 177.693 175.800 0.116 0.000 1.092 400 F CA -0.319 57.754 58.000 0.122 0.000 1.279 400 F CB 0.363 39.498 39.000 0.224 0.000 1.044 400 F HN -0.140 nan 8.300 nan 0.000 0.564 401 K N 1.579 122.098 120.400 0.199 0.000 2.057 401 K HA -0.121 4.266 4.320 0.111 0.000 0.206 401 K C 0.869 177.512 176.600 0.071 0.000 1.050 401 K CA 0.967 57.316 56.287 0.104 0.000 0.935 401 K CB 0.059 32.600 32.500 0.069 0.000 0.715 401 K HN 0.026 nan 8.250 nan 0.000 0.439 402 K N 1.469 121.914 120.400 0.076 0.000 2.310 402 K HA 0.053 4.440 4.320 0.111 0.000 0.290 402 K C 0.946 177.614 176.600 0.114 0.000 1.077 402 K CA -0.390 55.936 56.287 0.065 0.000 0.922 402 K CB 1.180 33.707 32.500 0.045 0.000 1.057 402 K HN -0.106 nan 8.250 nan 0.000 0.479 403 V N 4.314 124.287 119.914 0.099 0.000 2.313 403 V HA -0.385 3.802 4.120 0.111 0.000 0.253 403 V C 2.189 178.417 176.094 0.224 0.000 1.070 403 V CA 2.443 64.842 62.300 0.165 0.000 1.057 403 V CB -0.737 31.142 31.823 0.092 0.000 0.653 403 V HN 0.985 nan 8.190 nan 0.000 0.450 404 A N -0.659 122.242 122.820 0.134 0.000 1.883 404 A HA -0.265 4.122 4.320 0.111 0.000 0.217 404 A C 2.382 180.027 177.584 0.102 0.000 1.186 404 A CA 2.711 54.814 52.037 0.110 0.000 0.624 404 A CB -0.987 18.056 19.000 0.072 0.000 0.822 404 A HN 0.524 nan 8.150 nan 0.000 0.444 405 T N -0.992 113.605 114.554 0.071 0.000 2.904 405 T HA -0.050 4.367 4.350 0.111 0.000 0.267 405 T C 1.541 176.204 174.700 -0.062 0.000 1.059 405 T CA 1.219 63.300 62.100 -0.032 0.000 1.137 405 T CB -0.365 68.435 68.868 -0.113 0.000 0.879 405 T HN 0.483 nan 8.240 nan 0.000 0.467 406 F N 2.224 122.161 119.950 -0.021 0.000 2.043 406 F HA -0.121 4.473 4.527 0.111 0.000 0.297 406 F C 1.883 177.835 175.800 0.253 0.000 1.121 406 F CA 1.326 59.421 58.000 0.158 0.000 1.199 406 F CB -0.658 38.471 39.000 0.217 0.000 0.968 406 F HN 0.037 nan 8.300 nan 0.000 0.478 407 L N 0.202 121.491 121.223 0.111 0.000 2.042 407 L HA -0.259 4.148 4.340 0.111 0.000 0.210 407 L C 2.824 179.703 176.870 0.015 0.000 1.076 407 L CA 1.745 56.594 54.840 0.014 0.000 0.749 407 L CB -1.127 41.015 42.059 0.138 0.000 0.893 407 L HN 0.423 nan 8.230 nan 0.000 0.432 408 S N -0.175 115.545 115.700 0.034 0.000 2.402 408 S HA -0.183 4.354 4.470 0.111 0.000 0.229 408 S C 1.931 176.575 174.600 0.074 0.000 1.021 408 S CA 0.690 58.949 58.200 0.097 0.000 0.974 408 S CB -0.375 62.921 63.200 0.160 0.000 0.800 408 S HN 0.377 nan 8.310 nan 0.000 0.484 409 R N -0.025 120.314 120.500 -0.269 0.000 2.328 409 R HA 0.264 4.671 4.340 0.111 0.000 0.200 409 R C -0.961 175.022 176.300 -0.528 0.000 0.983 409 R CA 0.215 55.963 56.100 -0.588 0.000 1.062 409 R CB -0.136 29.412 30.300 -1.255 0.000 0.956 409 R HN 0.402 nan 8.270 nan 0.000 0.479 410 F N -0.499 119.445 119.950 -0.010 0.000 2.716 410 F HA 0.291 4.886 4.527 0.112 0.000 0.354 410 F C 0.757 176.573 175.800 0.025 0.000 1.168 410 F CA -1.016 56.986 58.000 0.003 0.000 1.045 410 F CB 1.600 40.449 39.000 -0.251 0.000 1.311 410 F HN -0.325 nan 8.300 nan 0.000 0.477 411 K N 0.816 121.345 120.400 0.215 0.000 2.147 411 K HA -0.029 4.358 4.320 0.111 0.000 0.205 411 K C 0.512 177.189 176.600 0.130 0.000 1.049 411 K CA 1.144 57.520 56.287 0.148 0.000 0.936 411 K CB 0.142 32.716 32.500 0.124 0.000 0.722 411 K HN 0.574 nan 8.250 nan 0.000 0.446 412 S N -0.395 115.401 115.700 0.161 0.000 2.550 412 S HA 0.359 4.896 4.470 0.111 0.000 0.270 412 S C -0.695 173.961 174.600 0.093 0.000 1.145 412 S CA -1.149 57.112 58.200 0.101 0.000 0.852 412 S CB 1.352 64.600 63.200 0.079 0.000 1.119 412 S HN -0.067 nan 8.310 nan 0.000 0.465 413 I N 2.636 123.196 120.570 -0.017 0.000 2.452 413 I HA 0.320 4.557 4.170 0.111 0.000 0.287 413 I C -2.111 173.954 176.117 -0.086 0.000 1.079 413 I CA -1.814 59.394 61.300 -0.153 0.000 1.387 413 I CB -0.064 37.826 38.000 -0.183 0.000 1.404 413 I HN 0.526 nan 8.210 nan 0.000 0.522 414 P HA 0.035 nan 4.420 nan 0.000 0.269 414 P C -0.017 177.252 177.300 -0.053 0.000 1.209 414 P CA -0.197 62.883 63.100 -0.034 0.000 0.776 414 P CB 0.540 32.224 31.700 -0.026 0.000 0.876 415 S N 2.003 117.692 115.700 -0.017 0.000 2.549 415 S HA 0.179 4.716 4.470 0.111 0.000 0.283 415 S C 0.877 175.461 174.600 -0.028 0.000 1.320 415 S CA -0.298 57.890 58.200 -0.020 0.000 1.058 415 S CB -0.675 62.522 63.200 -0.005 0.000 0.882 415 S HN 0.486 nan 8.310 nan 0.000 0.498 416 I N 2.038 122.586 120.570 -0.035 0.000 4.442 416 I HA 0.263 4.500 4.170 0.111 0.000 0.331 416 I C 0.877 176.974 176.117 -0.032 0.000 1.364 416 I CA -0.271 61.008 61.300 -0.035 0.000 1.207 416 I CB -0.025 37.945 38.000 -0.049 0.000 1.298 416 I HN 0.438 nan 8.210 nan 0.000 0.463 417 V N 2.414 122.306 119.914 -0.038 0.000 2.546 417 V HA -0.245 3.942 4.120 0.111 0.000 0.254 417 V C 2.237 178.310 176.094 -0.036 0.000 1.076 417 V CA 2.533 64.804 62.300 -0.048 0.000 1.087 417 V CB -0.790 31.002 31.823 -0.053 0.000 0.674 417 V HN 0.569 nan 8.190 nan 0.000 0.470 418 E N -0.861 119.326 120.200 -0.022 0.000 2.415 418 E HA 0.119 4.535 4.350 0.111 0.000 0.197 418 E C 0.726 177.321 176.600 -0.009 0.000 1.007 418 E CA -0.415 55.977 56.400 -0.014 0.000 0.890 418 E CB 0.281 29.977 29.700 -0.007 0.000 0.891 418 E HN 0.405 nan 8.360 nan 0.000 0.496 419 L N 1.949 123.165 121.223 -0.011 0.000 2.514 419 L HA -0.081 4.326 4.340 0.111 0.000 0.280 419 L C 0.529 177.395 176.870 -0.006 0.000 1.223 419 L CA 0.928 55.764 54.840 -0.007 0.000 0.864 419 L CB 0.613 42.663 42.059 -0.014 0.000 1.118 419 L HN -0.086 nan 8.230 nan 0.000 0.494 420 D N 0.835 121.235 120.400 -0.001 0.000 2.463 420 D HA 0.125 4.832 4.640 0.111 0.000 0.237 420 D C -0.094 176.207 176.300 0.001 0.000 1.013 420 D CA 0.510 54.511 54.000 0.001 0.000 0.910 420 D CB 0.819 41.622 40.800 0.005 0.000 1.080 420 D HN 0.465 nan 8.370 nan 0.000 0.498 421 S N -0.323 115.378 115.700 0.002 0.000 2.543 421 S HA 0.530 5.067 4.470 0.111 0.000 0.274 421 S C -2.334 172.268 174.600 0.004 0.000 1.149 421 S CA -0.712 57.489 58.200 0.001 0.000 0.866 421 S CB 1.312 64.515 63.200 0.005 0.000 1.111 421 S HN 0.025 nan 8.310 nan 0.000 0.457 422 L N 3.637 124.859 121.223 -0.003 0.000 2.438 422 L HA 0.694 5.101 4.340 0.111 0.000 0.270 422 L C -0.993 175.876 176.870 -0.002 0.000 0.972 422 L CA -0.192 54.649 54.840 0.001 0.000 0.831 422 L CB 1.666 43.714 42.059 -0.019 0.000 1.273 422 L HN 0.709 nan 8.230 nan 0.000 0.405 423 K N 4.339 124.748 120.400 0.014 0.000 2.244 423 K HA 0.789 5.175 4.320 0.111 0.000 0.260 423 K C -1.867 174.744 176.600 0.018 0.000 0.951 423 K CA -0.641 55.652 56.287 0.009 0.000 0.826 423 K CB 1.662 34.172 32.500 0.017 0.000 1.108 423 K HN 0.533 nan 8.250 nan 0.000 0.433 424 V N 3.578 123.485 119.914 -0.012 0.000 2.532 424 V HA 0.294 4.480 4.120 0.111 0.000 0.294 424 V C -1.031 175.062 176.094 -0.001 0.000 1.036 424 V CA -0.713 61.577 62.300 -0.018 0.000 0.876 424 V CB 1.470 33.205 31.823 -0.145 0.000 1.012 424 V HN 0.941 nan 8.190 nan 0.000 0.432 425 S N 2.762 118.495 115.700 0.056 0.000 2.569 425 S HA 1.011 5.548 4.470 0.111 0.000 0.280 425 S C -0.022 174.642 174.600 0.107 0.000 1.111 425 S CA -0.127 58.124 58.200 0.085 0.000 0.887 425 S CB 2.142 65.376 63.200 0.057 0.000 1.095 425 S HN 2.249 nan 8.310 nan 0.000 0.476 426 G N 1.038 109.906 108.800 0.113 0.000 2.728 426 G HA2 -0.056 3.971 3.960 0.111 0.000 0.294 426 G HA3 -0.056 3.971 3.960 0.111 0.000 0.294 426 G C -0.868 174.085 174.900 0.089 0.000 1.342 426 G CA -0.181 44.973 45.100 0.089 0.000 0.866 426 G HN 0.993 nan 8.290 nan 0.000 0.534 427 D N 0.373 120.807 120.400 0.058 0.000 2.545 427 D HA 0.398 5.104 4.640 0.111 0.000 0.227 427 D C 0.595 176.921 176.300 0.043 0.000 1.150 427 D CA 0.161 54.185 54.000 0.040 0.000 1.046 427 D CB -0.114 40.756 40.800 0.117 0.000 1.098 427 D HN 0.503 nan 8.370 nan 0.000 0.502 428 V N 2.688 122.559 119.914 -0.072 0.000 2.547 428 V HA 0.509 4.696 4.120 0.111 0.000 0.299 428 V C -0.199 175.623 176.094 -0.453 0.000 1.040 428 V CA -0.773 61.470 62.300 -0.094 0.000 0.913 428 V CB 1.446 33.291 31.823 0.035 0.000 0.992 428 V HN 0.302 nan 8.190 nan 0.000 0.449 429 W N 2.743 123.868 121.300 -0.291 0.000 2.799 429 W HA 0.768 5.495 4.660 0.111 0.000 0.349 429 W C -0.997 175.207 176.519 -0.524 0.000 1.100 429 W CA -0.682 56.482 57.345 -0.303 0.000 1.174 429 W CB 1.474 30.807 29.460 -0.212 0.000 1.427 429 W HN 0.311 nan 8.180 nan 0.000 0.547 430 F N 1.216 121.134 119.950 -0.054 0.000 2.507 430 F HA 0.602 5.196 4.527 0.112 0.000 0.328 430 F C 0.933 176.771 175.800 0.063 0.000 1.136 430 F CA -0.846 57.139 58.000 -0.025 0.000 0.930 430 F CB 1.189 40.119 39.000 -0.118 0.000 1.166 430 F HN 0.415 nan 8.300 nan 0.000 0.436 431 G N 0.995 109.925 108.800 0.217 0.000 2.525 431 G HA2 0.415 4.442 3.960 0.111 0.000 0.276 431 G HA3 0.415 4.442 3.960 0.111 0.000 0.276 431 G C -0.255 174.760 174.900 0.191 0.000 1.388 431 G CA -0.382 44.815 45.100 0.162 0.000 1.050 431 G HN 0.673 nan 8.290 nan 0.000 0.520 432 S N -2.560 113.218 115.700 0.131 0.000 2.690 432 S HA 0.494 5.031 4.470 0.111 0.000 0.291 432 S C 0.496 175.155 174.600 0.098 0.000 1.138 432 S CA 0.452 58.721 58.200 0.114 0.000 1.013 432 S CB 1.482 64.730 63.200 0.081 0.000 1.053 432 S HN 1.333 nan 8.310 nan 0.000 0.539 433 S N -0.127 115.622 115.700 0.082 0.000 3.581 433 S HA -0.142 4.395 4.470 0.111 0.000 0.354 433 S C 0.168 174.812 174.600 0.074 0.000 1.059 433 S CA 0.547 58.785 58.200 0.064 0.000 1.060 433 S CB -1.970 61.259 63.200 0.049 0.000 0.908 433 S HN 0.662 nan 8.310 nan 0.000 0.475 434 I N 0.684 121.317 120.570 0.104 0.000 2.612 434 I HA 0.374 4.610 4.170 0.111 0.000 0.295 434 I C 0.523 176.690 176.117 0.084 0.000 1.011 434 I CA -0.502 60.869 61.300 0.119 0.000 1.326 434 I CB 1.227 39.351 38.000 0.207 0.000 1.427 434 I HN -0.000 nan 8.210 nan 0.000 0.537 435 V N 6.597 126.556 119.914 0.075 0.000 2.588 435 V HA 0.450 4.637 4.120 0.111 0.000 0.304 435 V C -0.312 175.814 176.094 0.054 0.000 1.042 435 V CA -0.578 61.751 62.300 0.049 0.000 0.877 435 V CB 2.002 33.846 31.823 0.036 0.000 0.996 435 V HN 0.423 nan 8.190 nan 0.000 0.425 436 L N 5.229 126.473 121.223 0.036 0.000 2.333 436 L HA 0.676 5.083 4.340 0.111 0.000 0.280 436 L C -0.395 176.487 176.870 0.020 0.000 1.004 436 L CA -0.604 54.258 54.840 0.036 0.000 0.820 436 L CB 1.843 43.918 42.059 0.026 0.000 1.247 436 L HN 0.543 nan 8.230 nan 0.000 0.416 437 K N 1.513 121.928 120.400 0.024 0.000 2.426 437 K HA 0.747 5.134 4.320 0.111 0.000 0.251 437 K C 0.312 176.922 176.600 0.016 0.000 0.941 437 K CA -0.412 55.884 56.287 0.015 0.000 0.808 437 K CB 2.410 34.919 32.500 0.015 0.000 1.265 437 K HN 0.693 nan 8.250 nan 0.000 0.432 438 G N 2.161 110.967 108.800 0.010 0.000 2.611 438 G HA2 -0.305 3.722 3.960 0.111 0.000 0.301 438 G HA3 -0.305 3.722 3.960 0.111 0.000 0.301 438 G C -0.545 174.363 174.900 0.013 0.000 1.233 438 G CA 0.090 45.196 45.100 0.011 0.000 0.993 438 G HN 0.513 nan 8.290 nan 0.000 0.553 439 K N 0.467 120.877 120.400 0.016 0.000 2.156 439 K HA 0.664 5.051 4.320 0.111 0.000 0.271 439 K C -0.851 175.764 176.600 0.025 0.000 0.995 439 K CA -0.366 55.931 56.287 0.018 0.000 0.890 439 K CB 1.307 33.817 32.500 0.016 0.000 1.073 439 K HN 0.740 nan 8.250 nan 0.000 0.454 440 V N 2.651 122.583 119.914 0.030 0.000 2.932 440 V HA 0.430 4.617 4.120 0.111 0.000 0.307 440 V C -0.768 175.355 176.094 0.048 0.000 1.147 440 V CA -0.761 61.566 62.300 0.045 0.000 0.951 440 V CB 2.489 34.349 31.823 0.061 0.000 1.031 440 V HN 0.920 nan 8.190 nan 0.000 0.426 441 T N 2.837 117.424 114.554 0.054 0.000 2.906 441 T HA 0.829 5.246 4.350 0.111 0.000 0.295 441 T C -1.100 173.640 174.700 0.067 0.000 1.061 441 T CA -0.612 61.520 62.100 0.053 0.000 1.000 441 T CB 2.091 70.981 68.868 0.037 0.000 1.103 441 T HN 0.483 nan 8.240 nan 0.000 0.486 442 V N 0.661 120.616 119.914 0.069 0.000 2.851 442 V HA 0.937 5.124 4.120 0.111 0.000 0.307 442 V C -0.918 175.206 176.094 0.049 0.000 1.129 442 V CA -0.919 61.419 62.300 0.063 0.000 0.932 442 V CB 1.641 33.525 31.823 0.101 0.000 1.024 442 V HN 1.276 nan 8.190 nan 0.000 0.426 443 A N 2.670 125.511 122.820 0.034 0.000 2.547 443 A HA 0.902 5.289 4.320 0.111 0.000 0.300 443 A C -0.498 177.103 177.584 0.029 0.000 1.061 443 A CA 0.163 52.222 52.037 0.038 0.000 0.808 443 A CB 1.126 20.147 19.000 0.036 0.000 1.304 443 A HN 1.857 nan 8.150 nan 0.000 0.393 444 A N 2.090 124.931 122.820 0.036 0.000 2.246 444 A HA 0.831 5.218 4.320 0.111 0.000 0.291 444 A C 0.384 177.986 177.584 0.030 0.000 1.103 444 A CA -0.291 51.765 52.037 0.032 0.000 0.844 444 A CB 0.567 19.592 19.000 0.043 0.000 1.136 444 A HN 0.808 nan 8.150 nan 0.000 0.500 445 K N -0.368 120.047 120.400 0.025 0.000 2.354 445 K HA 0.436 4.822 4.320 0.111 0.000 0.238 445 K C 0.079 176.693 176.600 0.023 0.000 1.068 445 K CA -0.670 55.631 56.287 0.022 0.000 0.925 445 K CB 1.266 33.776 32.500 0.017 0.000 1.286 445 K HN 0.598 nan 8.250 nan 0.000 0.500 446 S N 0.372 116.083 115.700 0.020 0.000 2.998 446 S HA 0.051 4.587 4.470 0.111 0.000 0.348 446 S C 0.969 175.579 174.600 0.018 0.000 1.210 446 S CA 1.295 59.506 58.200 0.018 0.000 1.118 446 S CB -1.158 62.051 63.200 0.015 0.000 0.832 446 S HN 0.810 nan 8.310 nan 0.000 0.516 447 G N 3.202 112.014 108.800 0.021 0.000 2.168 447 G HA2 -0.229 3.797 3.960 0.111 0.000 0.257 447 G HA3 -0.229 3.797 3.960 0.111 0.000 0.257 447 G C 0.151 175.063 174.900 0.020 0.000 0.997 447 G CA 0.318 45.430 45.100 0.019 0.000 0.708 447 G HN 0.865 nan 8.290 nan 0.000 0.520 448 V N -0.109 119.820 119.914 0.024 0.000 2.716 448 V HA 0.731 4.917 4.120 0.111 0.000 0.304 448 V C 0.451 176.569 176.094 0.040 0.000 1.053 448 V CA -0.176 62.139 62.300 0.024 0.000 0.984 448 V CB 1.922 33.758 31.823 0.021 0.000 1.021 448 V HN 0.454 nan 8.190 nan 0.000 0.467 449 K N 3.101 123.525 120.400 0.040 0.000 2.422 449 K HA 0.746 5.132 4.320 0.111 0.000 0.251 449 K C -1.880 174.754 176.600 0.056 0.000 0.933 449 K CA -0.636 55.696 56.287 0.075 0.000 0.798 449 K CB 1.936 34.479 32.500 0.071 0.000 1.238 449 K HN 0.598 nan 8.250 nan 0.000 0.428 450 L N 2.229 123.506 121.223 0.089 0.000 2.323 450 L HA 0.546 4.953 4.340 0.111 0.000 0.265 450 L C -0.926 175.982 176.870 0.065 0.000 1.012 450 L CA -0.762 54.099 54.840 0.036 0.000 0.820 450 L CB 2.374 44.428 42.059 -0.008 0.000 1.334 450 L HN 0.735 nan 8.230 nan 0.000 0.427 451 E N 2.689 122.880 120.200 -0.015 0.000 2.448 451 E HA 0.328 4.744 4.350 0.111 0.000 0.288 451 E C -1.314 175.238 176.600 -0.080 0.000 0.936 451 E CA -0.270 56.117 56.400 -0.023 0.000 0.809 451 E CB 2.128 31.805 29.700 -0.037 0.000 1.408 451 E HN 0.400 nan 8.360 nan 0.000 0.393 452 I N 5.103 125.570 120.570 -0.171 0.000 2.436 452 I HA 0.136 4.373 4.170 0.111 0.000 0.289 452 I C -1.752 174.352 176.117 -0.021 0.000 1.083 452 I CA -1.652 59.579 61.300 -0.116 0.000 1.372 452 I CB 0.050 37.931 38.000 -0.197 0.000 1.408 452 I HN 0.157 nan 8.210 nan 0.000 0.516 453 P HA 0.006 nan 4.420 nan 0.000 0.269 453 P C -0.788 176.543 177.300 0.053 0.000 1.215 453 P CA -0.267 62.847 63.100 0.023 0.000 0.780 453 P CB 0.516 32.223 31.700 0.011 0.000 0.898 454 D N 2.662 123.095 120.400 0.054 0.000 2.443 454 D HA -0.051 4.656 4.640 0.111 0.000 0.234 454 D C 1.118 177.452 176.300 0.056 0.000 1.172 454 D CA 0.330 54.369 54.000 0.065 0.000 0.878 454 D CB 0.092 40.923 40.800 0.052 0.000 1.204 454 D HN 0.466 nan 8.370 nan 0.000 0.453 455 R N -1.227 119.310 120.500 0.062 0.000 3.922 455 R HA -0.187 4.219 4.340 0.111 0.000 0.447 455 R C 0.125 176.458 176.300 0.054 0.000 1.035 455 R CA 1.009 57.139 56.100 0.051 0.000 1.289 455 R CB -1.849 28.473 30.300 0.036 0.000 1.906 455 R HN 0.575 nan 8.270 nan 0.000 0.540 456 A N 1.087 123.947 122.820 0.067 0.000 2.511 456 A HA 0.391 4.778 4.320 0.111 0.000 0.242 456 A C 0.525 178.152 177.584 0.073 0.000 1.069 456 A CA 0.214 52.291 52.037 0.068 0.000 0.763 456 A CB 0.618 19.666 19.000 0.079 0.000 1.001 456 A HN 0.066 nan 8.150 nan 0.000 0.498 457 V N 4.938 124.887 119.914 0.058 0.000 2.250 457 V HA 0.167 4.354 4.120 0.111 0.000 0.268 457 V C -0.178 175.949 176.094 0.055 0.000 1.043 457 V CA -0.408 61.924 62.300 0.054 0.000 0.814 457 V CB 0.916 32.762 31.823 0.039 0.000 1.072 457 V HN 0.623 nan 8.190 nan 0.000 0.451 458 V N 4.054 124.011 119.914 0.072 0.000 2.427 458 V HA 0.346 4.532 4.120 0.111 0.000 0.268 458 V C 0.264 176.391 176.094 0.056 0.000 1.046 458 V CA -0.092 62.250 62.300 0.071 0.000 0.970 458 V CB 1.105 32.990 31.823 0.104 0.000 1.001 458 V HN 0.904 nan 8.190 nan 0.000 0.476 459 E N 4.533 124.759 120.200 0.043 0.000 2.316 459 E HA 0.390 4.806 4.350 0.111 0.000 0.254 459 E C -0.712 175.905 176.600 0.029 0.000 0.902 459 E CA -0.738 55.682 56.400 0.033 0.000 0.801 459 E CB 0.526 30.242 29.700 0.027 0.000 1.270 459 E HN 0.834 nan 8.360 nan 0.000 0.414 460 N N 2.830 121.547 118.700 0.028 0.000 2.568 460 N HA -0.226 4.581 4.740 0.111 0.000 0.277 460 N C -1.251 174.275 175.510 0.026 0.000 1.200 460 N CA 1.107 54.172 53.050 0.025 0.000 0.702 460 N CB -0.407 38.092 38.487 0.020 0.000 0.889 460 N HN 0.508 nan 8.380 nan 0.000 0.546 461 K N 0.741 121.159 120.400 0.031 0.000 2.536 461 K HA 0.456 4.843 4.320 0.111 0.000 0.269 461 K C -1.328 175.292 176.600 0.033 0.000 0.965 461 K CA -0.877 55.428 56.287 0.031 0.000 0.860 461 K CB 1.149 33.670 32.500 0.035 0.000 1.423 461 K HN 0.217 nan 8.250 nan 0.000 0.438 462 N N 3.325 122.043 118.700 0.029 0.000 2.723 462 N HA 0.236 5.042 4.740 0.111 0.000 0.290 462 N C -0.632 174.894 175.510 0.027 0.000 1.882 462 N CA -0.267 52.800 53.050 0.028 0.000 0.851 462 N CB 0.407 38.908 38.487 0.023 0.000 1.234 462 N HN 0.548 nan 8.380 nan 0.000 0.491 463 I N 0.997 121.585 120.570 0.030 0.000 3.192 463 I HA -0.221 4.015 4.170 0.111 0.000 0.314 463 I C 0.731 176.860 176.117 0.020 0.000 1.243 463 I CA 0.720 62.034 61.300 0.023 0.000 1.404 463 I CB -0.126 37.886 38.000 0.020 0.000 1.374 463 I HN 0.145 nan 8.210 nan 0.000 0.522 464 N N 3.871 122.581 118.700 0.016 0.000 2.171 464 N HA 0.288 5.095 4.740 0.111 0.000 0.212 464 N C 0.135 175.653 175.510 0.013 0.000 1.184 464 N CA 0.031 53.091 53.050 0.016 0.000 0.888 464 N CB 1.297 39.793 38.487 0.016 0.000 1.038 464 N HN 0.768 nan 8.380 nan 0.000 0.517 465 G N -0.758 108.048 108.800 0.010 0.000 2.489 465 G HA2 0.216 4.243 3.960 0.111 0.000 0.291 465 G HA3 0.216 4.243 3.960 0.111 0.000 0.291 465 G C -2.448 172.454 174.900 0.002 0.000 1.487 465 G CA -0.760 44.344 45.100 0.007 0.000 0.795 465 G HN -0.296 nan 8.290 nan 0.000 0.513 466 P HA -0.036 nan 4.420 nan 0.000 0.221 466 P C 0.793 178.092 177.300 -0.003 0.000 1.145 466 P CA 0.930 64.028 63.100 -0.004 0.000 0.795 466 P CB 0.234 31.931 31.700 -0.006 0.000 0.775 467 E N 0.196 120.396 120.200 0.000 0.000 2.651 467 E HA -0.014 4.403 4.350 0.111 0.000 0.236 467 E C -0.195 176.407 176.600 0.004 0.000 1.422 467 E CA 0.279 56.680 56.400 0.002 0.000 1.534 467 E CB -0.567 29.134 29.700 0.003 0.000 1.381 467 E HN 0.295 nan 8.360 nan 0.000 0.435 468 D N 0.865 121.266 120.400 0.003 0.000 3.118 468 D HA 0.144 4.851 4.640 0.111 0.000 0.352 468 D C 0.294 176.597 176.300 0.005 0.000 1.498 468 D CA -0.142 53.862 54.000 0.006 0.000 0.759 468 D CB 0.364 41.169 40.800 0.008 0.000 1.251 468 D HN 0.114 nan 8.370 nan 0.000 0.504 469 L N 0.000 121.225 121.223 0.003 0.000 2.949 469 L HA 0.000 4.407 4.340 0.111 0.000 0.249 469 L CA 0.000 54.842 54.840 0.003 0.000 0.813 469 L CB 0.000 42.063 42.059 0.007 0.000 0.961 469 L HN 0.000 nan 8.230 nan 0.000 0.502