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 3abz_1_B DATA FIRST_RESID 2 DATA SEQUENCE SKFDVEQLLS ELNQDEKISL LSAVDFWHTK KIERLGIPAV RVSDGPNGIR DATA SEQUENCE GTKFFDGVPS GCFPNGTGLA STFDRDLLET AGKLXAKESI AKNAAVILGP DATA SEQUENCE TTNXQRGPLG GRGFESFSED PYLAGXATSS VVKGXQGEGI AATVKHFVCN DATA SEQUENCE DLEDQRFSSN SIVSERALRE IYLEPFRLAV KHANPVCIXT AYNKVNGEHC DATA SEQUENCE SQSKKLLIDI LRDEWKWDGX LXSDWFGTYT TAAAIKNGLD IEFPGPTRWR DATA SEQUENCE TRALVSHSLN SREQITTEDV DDRVRQVLKX IKFVVDNLEK TGIVENGPES DATA SEQUENCE TSNNTKETSD LLRKIAADSI VLLKNKNNIL PLKKEDNIIV IGPNAKAKTS DATA SEQUENCE SGGGSASXNS YYVVSPYEGI VNKLGKEVDY TVGAYSHKSI GGLAESSLXX DATA SEQUENCE XXKPADAENS GLIAKFYSNP VEERSDXXXX FHVTKVNRSN VHLFDFKHEK DATA SEQUENCE VDXXXXYFFV TLTGQYVPQE DGDYIFSLQV YGSGLFYLND ELIIDXXXXX DATA SEQUENCE XXXXXXXXXG TKERTKKLTL KKGQVYNVRV EYGSGPTXXX XXXXXAGGFQ DATA SEQUENCE AGVIKAIDDD EEIRNAAELA AKHDKAVLII GLNGEWETEG YDRENXDLPK DATA SEQUENCE RTNELVRAVL KANPNTVIVN QSGTPVEFPW LEDANALVQA WYGGNELGNA DATA SEQUENCE IADVLYGDVV PNGKLSLSWP FKLQDNPAFL NFKTEFGRVI YGEDIFVGYR DATA SEQUENCE YYEKLQRKVA FPFGYGLSYT TFELDISDFK VTDDKIAISV DVKNTGDKFA DATA SEQUENCE GSEVVQVYFS ALNSKVSRPV KELKGFEKVH LEPGEKKTVN IDLELKDAIS DATA SEQUENCE YFNEELGKWH VEAGEYLVSV GTSSDDILSV KEFKVEKELY WKGL 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.636 174.600 0.059 0.000 1.055 2 S CA 0.000 58.229 58.200 0.048 0.000 1.107 2 S CB 0.000 63.239 63.200 0.065 0.000 0.593 3 K N 2.779 123.230 120.400 0.085 0.000 2.437 3 K HA 0.286 4.606 4.320 -0.000 0.000 0.205 3 K C -0.688 175.986 176.600 0.124 0.000 1.026 3 K CA 0.003 56.337 56.287 0.078 0.000 1.153 3 K CB 0.277 32.820 32.500 0.071 0.000 0.863 3 K HN 0.409 nan 8.250 nan 0.000 0.502 4 F N 2.112 122.061 119.950 -0.003 0.000 2.553 4 F HA 0.212 4.739 4.527 -0.001 0.000 0.335 4 F C -1.201 174.600 175.800 0.002 0.000 1.148 4 F CA -1.151 56.850 58.000 0.002 0.000 0.963 4 F CB 1.275 40.279 39.000 0.006 0.000 1.217 4 F HN -0.113 nan 8.300 nan 0.000 0.441 5 D N 5.632 125.914 120.400 -0.198 0.000 2.461 5 D HA 0.220 4.860 4.640 -0.000 0.000 0.240 5 D C 0.802 177.023 176.300 -0.131 0.000 1.094 5 D CA -0.166 53.784 54.000 -0.083 0.000 0.868 5 D CB 1.783 42.530 40.800 -0.088 0.000 1.062 5 D HN 0.358 nan 8.370 nan 0.000 0.530 6 V N 4.005 123.936 119.914 0.029 0.000 2.255 6 V HA -0.203 3.917 4.120 -0.000 0.000 0.247 6 V C 2.266 178.349 176.094 -0.018 0.000 1.051 6 V CA 1.470 63.796 62.300 0.043 0.000 1.018 6 V CB -0.238 31.653 31.823 0.113 0.000 0.641 6 V HN 0.557 nan 8.190 nan 0.000 0.445 7 E N -0.330 119.862 120.200 -0.012 0.000 2.106 7 E HA -0.235 4.115 4.350 -0.000 0.000 0.192 7 E C 2.202 178.779 176.600 -0.038 0.000 0.984 7 E CA 1.210 57.599 56.400 -0.018 0.000 0.806 7 E CB -0.279 29.415 29.700 -0.010 0.000 0.750 7 E HN 0.688 nan 8.360 nan 0.000 0.458 8 Q N 0.460 120.227 119.800 -0.055 0.000 2.061 8 Q HA -0.153 4.186 4.340 -0.000 0.000 0.204 8 Q C 2.439 178.386 176.000 -0.089 0.000 0.984 8 Q CA 1.156 56.918 55.803 -0.069 0.000 0.846 8 Q CB -0.076 28.616 28.738 -0.077 0.000 0.902 8 Q HN 0.231 nan 8.270 nan 0.000 0.421 9 L N 0.152 121.294 121.223 -0.135 0.000 2.017 9 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 9 L C 2.488 179.311 176.870 -0.078 0.000 1.073 9 L CA 0.619 55.372 54.840 -0.145 0.000 0.745 9 L CB -0.502 41.408 42.059 -0.248 0.000 0.894 9 L HN 0.320 nan 8.230 nan 0.000 0.432 10 L N 0.080 121.271 121.223 -0.053 0.000 2.043 10 L HA -0.247 4.092 4.340 -0.000 0.000 0.212 10 L C 2.773 179.627 176.870 -0.027 0.000 1.075 10 L CA 2.266 57.090 54.840 -0.026 0.000 0.752 10 L CB -0.626 41.425 42.059 -0.013 0.000 0.891 10 L HN 0.415 nan 8.230 nan 0.000 0.432 11 S N -2.069 113.612 115.700 -0.033 0.000 2.481 11 S HA -0.106 4.364 4.470 -0.000 0.000 0.231 11 S C 1.640 176.223 174.600 -0.029 0.000 0.996 11 S CA 1.085 59.268 58.200 -0.027 0.000 0.942 11 S CB -0.387 62.797 63.200 -0.027 0.000 0.768 11 S HN 0.687 nan 8.310 nan 0.000 0.520 12 E N 0.283 120.460 120.200 -0.039 0.000 2.340 12 E HA 0.308 4.658 4.350 -0.000 0.000 0.198 12 E C -0.068 176.513 176.600 -0.031 0.000 0.961 12 E CA -0.278 56.099 56.400 -0.037 0.000 0.905 12 E CB 0.078 29.748 29.700 -0.050 0.000 0.884 12 E HN 0.458 nan 8.360 nan 0.000 0.491 13 L N 3.279 124.483 121.223 -0.031 0.000 2.485 13 L HA -0.012 4.328 4.340 -0.000 0.000 0.275 13 L C 0.479 177.340 176.870 -0.015 0.000 1.207 13 L CA -0.436 54.392 54.840 -0.021 0.000 0.855 13 L CB -0.070 41.980 42.059 -0.016 0.000 1.114 13 L HN 0.187 nan 8.230 nan 0.000 0.485 14 N N 1.285 119.978 118.700 -0.012 0.000 2.413 14 N HA 0.055 4.795 4.740 -0.000 0.000 0.266 14 N C 0.351 175.858 175.510 -0.006 0.000 1.238 14 N CA -0.581 52.463 53.050 -0.009 0.000 0.972 14 N CB 0.416 38.898 38.487 -0.008 0.000 1.210 14 N HN 0.586 nan 8.380 nan 0.000 0.547 15 Q N -0.887 118.911 119.800 -0.004 0.000 2.096 15 Q HA -0.201 4.139 4.340 -0.000 0.000 0.204 15 Q C 0.305 176.304 176.000 -0.001 0.000 0.982 15 Q CA 1.843 57.645 55.803 -0.001 0.000 0.850 15 Q CB -0.118 28.620 28.738 0.001 0.000 0.901 15 Q HN 0.627 nan 8.270 nan 0.000 0.422 16 D N 0.264 120.663 120.400 -0.002 0.000 2.117 16 D HA -0.162 4.478 4.640 -0.000 0.000 0.197 16 D C 1.617 177.913 176.300 -0.006 0.000 0.987 16 D CA 1.228 55.226 54.000 -0.004 0.000 0.829 16 D CB -0.155 40.642 40.800 -0.006 0.000 0.961 16 D HN 0.399 nan 8.370 nan 0.000 0.460 17 E N 0.718 120.914 120.200 -0.006 0.000 2.051 17 E HA -0.143 4.207 4.350 -0.000 0.000 0.192 17 E C 2.044 178.642 176.600 -0.003 0.000 0.991 17 E CA 0.809 57.206 56.400 -0.005 0.000 0.799 17 E CB 0.045 29.741 29.700 -0.005 0.000 0.748 17 E HN 0.239 nan 8.360 nan 0.000 0.449 18 K N 0.580 120.979 120.400 -0.002 0.000 2.020 18 K HA -0.185 4.134 4.320 -0.000 0.000 0.212 18 K C 2.179 178.778 176.600 -0.001 0.000 1.050 18 K CA 1.456 57.743 56.287 0.001 0.000 0.929 18 K CB -0.256 32.245 32.500 0.001 0.000 0.714 18 K HN 0.144 nan 8.250 nan 0.000 0.443 19 I N 1.155 121.724 120.570 -0.003 0.000 2.286 19 I HA -0.282 3.888 4.170 -0.000 0.000 0.248 19 I C 2.583 178.689 176.117 -0.017 0.000 1.115 19 I CA 1.374 62.671 61.300 -0.006 0.000 1.392 19 I CB -0.485 37.514 38.000 -0.001 0.000 1.065 19 I HN 0.235 nan 8.210 nan 0.000 0.418 20 S N 1.275 116.963 115.700 -0.019 0.000 2.419 20 S HA -0.108 4.362 4.470 -0.000 0.000 0.233 20 S C 1.925 176.502 174.600 -0.038 0.000 1.016 20 S CA 0.843 59.024 58.200 -0.032 0.000 0.974 20 S CB -0.785 62.400 63.200 -0.026 0.000 0.786 20 S HN 0.441 nan 8.310 nan 0.000 0.492 21 L N 0.575 121.786 121.223 -0.020 0.000 2.362 21 L HA 0.159 4.499 4.340 -0.000 0.000 0.219 21 L C 1.977 178.827 176.870 -0.033 0.000 1.134 21 L CA 0.601 55.432 54.840 -0.014 0.000 0.807 21 L CB -0.401 41.668 42.059 0.016 0.000 0.927 21 L HN 0.349 nan 8.230 nan 0.000 0.447 22 L N -1.106 120.094 121.223 -0.039 0.000 2.599 22 L HA 0.072 4.412 4.340 -0.000 0.000 0.230 22 L C 0.745 177.562 176.870 -0.089 0.000 1.141 22 L CA 0.011 54.827 54.840 -0.041 0.000 0.877 22 L CB -0.321 41.726 42.059 -0.019 0.000 1.009 22 L HN 0.300 nan 8.230 nan 0.000 0.447 23 S N -1.211 114.402 115.700 -0.146 0.000 2.569 23 S HA 0.750 5.220 4.470 -0.000 0.000 0.280 23 S C -0.299 174.066 174.600 -0.392 0.000 1.111 23 S CA -0.823 57.215 58.200 -0.269 0.000 0.887 23 S CB 2.354 65.425 63.200 -0.215 0.000 1.095 23 S HN 0.029 nan 8.310 nan 0.000 0.476 24 A N 1.270 123.652 122.820 -0.729 0.000 2.406 24 A HA 0.535 4.855 4.320 -0.000 0.000 0.243 24 A C 1.160 178.481 177.584 -0.439 0.000 1.082 24 A CA -0.522 51.011 52.037 -0.840 0.000 0.786 24 A CB -0.133 17.858 19.000 -1.681 0.000 1.029 24 A HN 1.074 nan 8.150 nan 0.000 0.495 25 V N 0.819 120.578 119.914 -0.258 0.000 2.379 25 V HA -0.005 4.114 4.120 -0.000 0.000 0.245 25 V C 0.945 176.977 176.094 -0.103 0.000 1.044 25 V CA 2.300 64.521 62.300 -0.131 0.000 1.036 25 V CB -1.169 30.626 31.823 -0.046 0.000 0.664 25 V HN 1.089 nan 8.190 nan 0.000 0.453 26 D N -3.038 117.320 120.400 -0.069 0.000 2.958 26 D HA 0.172 4.812 4.640 -0.000 0.000 0.306 26 D C 0.727 176.999 176.300 -0.047 0.000 1.226 26 D CA -0.769 53.243 54.000 0.021 0.000 1.032 26 D CB 0.174 41.059 40.800 0.141 0.000 1.400 26 D HN -0.072 nan 8.370 nan 0.000 0.587 27 F N -1.239 118.541 119.950 -0.283 0.000 2.269 27 F HA 0.045 4.571 4.527 -0.000 0.000 0.301 27 F C 0.927 176.446 175.800 -0.468 0.000 1.082 27 F CA 0.922 58.563 58.000 -0.598 0.000 1.360 27 F CB 0.099 38.495 39.000 -1.008 0.000 1.041 27 F HN 0.289 nan 8.300 nan 0.000 0.512 28 W N -2.989 118.584 121.300 0.454 0.000 2.324 28 W HA 0.215 4.875 4.660 -0.000 0.000 0.316 28 W C -0.456 176.028 176.519 -0.058 0.000 0.927 28 W CA -0.335 57.143 57.345 0.221 0.000 1.438 28 W CB 0.082 29.516 29.460 -0.044 0.000 1.085 28 W HN -0.268 nan 8.180 nan 0.000 0.532 29 H N -0.621 118.690 119.070 0.401 0.000 2.679 29 H HA 0.396 4.951 4.556 -0.000 0.000 0.360 29 H C 0.628 176.002 175.328 0.076 0.000 1.105 29 H CA -0.612 55.588 56.048 0.253 0.000 1.196 29 H CB 1.591 31.459 29.762 0.177 0.000 1.636 29 H HN -0.222 nan 8.280 nan 0.000 0.531 30 T N -0.901 113.771 114.554 0.196 0.000 2.771 30 T HA 0.226 4.576 4.350 -0.000 0.000 0.290 30 T C 0.378 175.107 174.700 0.050 0.000 1.005 30 T CA -1.003 61.124 62.100 0.046 0.000 0.944 30 T CB 0.816 69.744 68.868 0.100 0.000 1.147 30 T HN 0.370 nan 8.240 nan 0.000 0.534 31 K N 0.789 121.194 120.400 0.008 0.000 2.276 31 K HA 0.263 4.582 4.320 -0.000 0.000 0.285 31 K C -0.060 176.563 176.600 0.039 0.000 1.062 31 K CA -0.389 55.903 56.287 0.007 0.000 0.918 31 K CB 0.533 33.022 32.500 -0.019 0.000 1.055 31 K HN 0.665 nan 8.250 nan 0.000 0.477 32 K N 4.953 125.375 120.400 0.037 0.000 2.350 32 K HA 0.160 4.480 4.320 -0.000 0.000 0.279 32 K C -0.688 175.932 176.600 0.033 0.000 1.027 32 K CA -0.080 56.233 56.287 0.043 0.000 0.969 32 K CB 0.382 32.901 32.500 0.031 0.000 0.954 32 K HN 0.654 nan 8.250 nan 0.000 0.474 33 I N 5.455 126.051 120.570 0.044 0.000 2.595 33 I HA 0.067 4.237 4.170 -0.000 0.000 0.275 33 I C 0.739 176.871 176.117 0.025 0.000 1.092 33 I CA -0.419 60.897 61.300 0.027 0.000 1.145 33 I CB 1.402 39.418 38.000 0.026 0.000 1.276 33 I HN 0.804 nan 8.210 nan 0.000 0.497 34 E N 3.789 124.000 120.200 0.018 0.000 2.058 34 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 34 E C 1.845 178.450 176.600 0.008 0.000 0.997 34 E CA 0.953 57.362 56.400 0.016 0.000 0.801 34 E CB 0.027 29.733 29.700 0.009 0.000 0.746 34 E HN 0.493 nan 8.360 nan 0.000 0.450 35 R N 0.333 120.833 120.500 0.001 0.000 2.196 35 R HA -0.202 4.137 4.340 -0.000 0.000 0.259 35 R C 1.891 178.183 176.300 -0.013 0.000 1.154 35 R CA 1.435 57.530 56.100 -0.007 0.000 0.976 35 R CB -0.251 30.043 30.300 -0.010 0.000 0.888 35 R HN 0.249 nan 8.270 nan 0.000 0.453 36 L N -1.289 119.925 121.223 -0.014 0.000 2.959 36 L HA 0.239 4.578 4.340 -0.000 0.000 0.259 36 L C 0.856 177.707 176.870 -0.033 0.000 1.185 36 L CA 0.281 55.098 54.840 -0.037 0.000 0.998 36 L CB 0.984 43.007 42.059 -0.060 0.000 1.337 36 L HN 0.419 nan 8.230 nan 0.000 0.555 37 G N 1.468 110.273 108.800 0.008 0.000 2.176 37 G HA2 -0.283 3.676 3.960 -0.000 0.000 0.252 37 G HA3 -0.283 3.676 3.960 -0.000 0.000 0.252 37 G C 0.083 175.053 174.900 0.116 0.000 1.024 37 G CA -0.067 45.060 45.100 0.044 0.000 0.755 37 G HN 0.328 nan 8.290 nan 0.000 0.507 38 I N 2.424 123.066 120.570 0.120 0.000 2.297 38 I HA 0.299 4.468 4.170 -0.000 0.000 0.291 38 I C -1.617 174.592 176.117 0.154 0.000 1.033 38 I CA -2.331 59.104 61.300 0.225 0.000 1.253 38 I CB 1.461 39.577 38.000 0.194 0.000 1.396 38 I HN -0.054 nan 8.210 nan 0.000 0.476 39 P HA 0.227 nan 4.420 nan 0.000 0.279 39 P C -0.654 176.706 177.300 0.100 0.000 1.252 39 P CA -0.520 62.641 63.100 0.102 0.000 0.811 39 P CB 1.051 32.803 31.700 0.087 0.000 1.035 40 A N 1.963 124.840 122.820 0.095 0.000 2.440 40 A HA 0.356 4.675 4.320 -0.000 0.000 0.251 40 A C 0.015 177.695 177.584 0.160 0.000 1.089 40 A CA -0.139 51.973 52.037 0.125 0.000 0.779 40 A CB -0.317 18.753 19.000 0.117 0.000 1.022 40 A HN 0.368 nan 8.150 nan 0.000 0.492 41 V N 3.638 123.661 119.914 0.181 0.000 2.435 41 V HA 0.409 4.529 4.120 -0.000 0.000 0.290 41 V C 0.554 176.780 176.094 0.220 0.000 1.030 41 V CA -0.623 61.780 62.300 0.171 0.000 0.881 41 V CB 1.479 33.384 31.823 0.136 0.000 0.983 41 V HN 0.967 nan 8.190 nan 0.000 0.445 42 R N 3.454 124.063 120.500 0.182 0.000 2.265 42 R HA 0.659 4.999 4.340 -0.000 0.000 0.319 42 R C -0.639 175.704 176.300 0.072 0.000 1.006 42 R CA -0.359 55.783 56.100 0.070 0.000 0.880 42 R CB 1.528 31.878 30.300 0.085 0.000 1.077 42 R HN 0.689 nan 8.270 nan 0.000 0.454 43 V N 0.633 120.615 119.914 0.112 0.000 2.850 43 V HA 0.767 4.887 4.120 -0.000 0.000 0.315 43 V C -0.599 175.526 176.094 0.051 0.000 1.064 43 V CA -0.573 61.795 62.300 0.113 0.000 0.979 43 V CB 1.827 33.745 31.823 0.158 0.000 1.039 43 V HN 0.729 nan 8.190 nan 0.000 0.452 44 S N 1.234 116.890 115.700 -0.073 0.000 2.536 44 S HA 0.406 4.876 4.470 -0.000 0.000 0.271 44 S C -0.959 173.480 174.600 -0.267 0.000 1.134 44 S CA -0.683 57.346 58.200 -0.285 0.000 0.897 44 S CB 1.646 64.658 63.200 -0.313 0.000 1.094 44 S HN 0.993 nan 8.310 nan 0.000 0.473 45 D N 1.846 122.022 120.400 -0.373 0.000 2.378 45 D HA 0.507 5.147 4.640 -0.000 0.000 0.238 45 D C 0.609 176.755 176.300 -0.255 0.000 1.180 45 D CA 0.824 54.660 54.000 -0.274 0.000 0.895 45 D CB 1.215 41.859 40.800 -0.261 0.000 1.192 45 D HN 0.728 nan 8.370 nan 0.000 0.438 46 G N -0.096 108.585 108.800 -0.198 0.000 2.753 46 G HA2 0.305 4.264 3.960 -0.000 0.000 0.303 46 G HA3 0.305 4.264 3.960 -0.000 0.000 0.303 46 G C -2.346 172.451 174.900 -0.172 0.000 1.242 46 G CA -0.610 44.388 45.100 -0.170 0.000 0.810 46 G HN 0.207 nan 8.290 nan 0.000 0.515 47 P HA 0.036 nan 4.420 nan 0.000 0.231 47 P C 0.279 177.460 177.300 -0.199 0.000 1.168 47 P CA 0.892 63.872 63.100 -0.201 0.000 0.779 47 P CB -0.023 31.534 31.700 -0.238 0.000 0.844 48 N N -0.578 118.052 118.700 -0.117 0.000 2.541 48 N HA 0.468 5.208 4.740 -0.000 0.000 0.297 48 N C 0.058 175.620 175.510 0.087 0.000 1.503 48 N CA -0.410 52.619 53.050 -0.035 0.000 0.919 48 N CB 0.565 39.116 38.487 0.106 0.000 1.305 48 N HN 0.052 nan 8.380 nan 0.000 0.501 49 G N 0.104 108.875 108.800 -0.047 0.000 2.335 49 G HA2 0.117 4.077 3.960 -0.000 0.000 0.592 49 G HA3 0.117 4.077 3.960 -0.000 0.000 0.592 49 G C -1.782 173.077 174.900 -0.069 0.000 1.442 49 G CA -1.070 44.083 45.100 0.090 0.000 0.976 49 G HN 0.114 nan 8.290 nan 0.000 0.652 50 I N 1.481 122.010 120.570 -0.070 0.000 2.307 50 I HA 0.393 4.563 4.170 -0.000 0.000 0.289 50 I C 1.512 177.512 176.117 -0.195 0.000 1.021 50 I CA -0.524 60.693 61.300 -0.138 0.000 1.224 50 I CB 0.981 38.922 38.000 -0.098 0.000 1.376 50 I HN 0.856 nan 8.210 nan 0.000 0.470 51 R N 4.511 124.842 120.500 -0.281 0.000 2.093 51 R HA 0.176 4.515 4.340 -0.000 0.000 0.224 51 R C 1.008 177.107 176.300 -0.336 0.000 1.101 51 R CA 1.145 57.039 56.100 -0.343 0.000 0.979 51 R CB 0.222 30.232 30.300 -0.483 0.000 0.877 51 R HN 0.937 nan 8.270 nan 0.000 0.441 52 G N -1.408 107.155 108.800 -0.396 0.000 2.582 52 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.222 52 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.222 52 G C 0.384 174.941 174.900 -0.570 0.000 1.311 52 G CA 0.018 44.901 45.100 -0.362 0.000 0.915 52 G HN 0.266 nan 8.290 nan 0.000 0.528 53 T N -1.801 112.537 114.554 -0.360 0.000 3.148 53 T HA 0.402 4.751 4.350 -0.000 0.000 0.253 53 T C 0.688 175.419 174.700 0.052 0.000 1.134 53 T CA 1.557 63.471 62.100 -0.309 0.000 1.051 53 T CB -0.134 68.798 68.868 0.108 0.000 0.959 53 T HN 0.677 nan 8.240 nan 0.000 0.525 54 K N -0.399 120.013 120.400 0.020 0.000 2.427 54 K HA 0.526 4.845 4.320 -0.000 0.000 0.252 54 K C -0.723 175.984 176.600 0.178 0.000 0.931 54 K CA -0.847 55.564 56.287 0.206 0.000 0.793 54 K CB 1.963 34.580 32.500 0.195 0.000 1.211 54 K HN -0.127 nan 8.250 nan 0.000 0.426 55 F N 1.052 121.155 119.950 0.255 0.000 2.059 55 F HA 0.081 4.608 4.527 -0.000 0.000 0.289 55 F C 1.000 176.951 175.800 0.251 0.000 1.128 55 F CA 0.701 58.850 58.000 0.248 0.000 1.181 55 F CB 0.124 39.357 39.000 0.389 0.000 1.012 55 F HN 0.481 nan 8.300 nan 0.000 0.473 56 F N 1.807 122.024 119.950 0.445 0.000 2.504 56 F HA 0.145 4.672 4.527 -0.000 0.000 0.369 56 F C 0.800 176.761 175.800 0.268 0.000 1.082 56 F CA -0.636 57.551 58.000 0.311 0.000 1.216 56 F CB 0.038 39.221 39.000 0.305 0.000 1.108 56 F HN 0.196 nan 8.300 nan 0.000 0.554 57 D N 3.500 123.508 120.400 -0.654 0.000 2.945 57 D HA -0.162 4.478 4.640 -0.000 0.000 0.225 57 D C 0.432 176.661 176.300 -0.120 0.000 1.158 57 D CA 1.061 54.784 54.000 -0.462 0.000 0.805 57 D CB -1.226 39.314 40.800 -0.433 0.000 1.098 57 D HN 0.952 nan 8.370 nan 0.000 0.426 58 G N -0.057 108.714 108.800 -0.049 0.000 2.321 58 G HA2 0.251 4.211 3.960 -0.000 0.000 0.237 58 G HA3 0.251 4.211 3.960 -0.000 0.000 0.237 58 G C 0.645 175.515 174.900 -0.049 0.000 1.282 58 G CA -0.033 45.045 45.100 -0.037 0.000 0.886 58 G HN 0.280 nan 8.290 nan 0.000 0.528 59 V N 6.010 125.901 119.914 -0.037 0.000 2.540 59 V HA 0.043 4.162 4.120 -0.000 0.000 0.297 59 V C -1.384 174.694 176.094 -0.028 0.000 1.024 59 V CA -0.833 61.458 62.300 -0.015 0.000 1.105 59 V CB 0.857 32.679 31.823 -0.001 0.000 0.938 59 V HN 0.606 nan 8.190 nan 0.000 0.482 60 P HA 0.178 nan 4.420 nan 0.000 0.269 60 P C -0.194 177.036 177.300 -0.118 0.000 1.211 60 P CA 0.386 63.476 63.100 -0.017 0.000 0.781 60 P CB 0.586 32.375 31.700 0.149 0.000 0.877 61 S N -0.382 114.951 115.700 -0.611 0.000 2.643 61 S HA 0.677 5.146 4.470 -0.000 0.000 0.270 61 S C -0.940 172.818 174.600 -1.403 0.000 1.166 61 S CA -0.546 57.147 58.200 -0.844 0.000 0.815 61 S CB 0.926 63.915 63.200 -0.352 0.000 1.139 61 S HN 0.474 nan 8.310 nan 0.000 0.472 62 G N 0.936 109.229 108.800 -0.845 0.000 2.338 62 G HA2 0.453 4.412 3.960 -0.000 0.000 0.295 62 G HA3 0.453 4.412 3.960 -0.000 0.000 0.295 62 G C -0.173 174.550 174.900 -0.295 0.000 1.132 62 G CA -0.229 44.534 45.100 -0.562 0.000 0.922 62 G HN 0.713 nan 8.290 nan 0.000 0.427 63 C N 4.450 123.567 119.300 -0.305 0.000 2.347 63 C HA 0.673 5.133 4.460 -0.000 0.000 0.353 63 C C 0.251 175.183 174.990 -0.098 0.000 1.273 63 C CA -1.091 57.869 59.018 -0.096 0.000 1.861 63 C CB -1.380 26.286 27.740 -0.123 0.000 2.420 63 C HN 0.532 nan 8.230 nan 0.000 0.542 64 F N 5.615 125.537 119.950 -0.048 0.000 2.370 64 F HA 0.422 4.948 4.527 -0.000 0.000 0.319 64 F C -1.488 174.336 175.800 0.039 0.000 1.129 64 F CA -2.001 55.999 58.000 0.000 0.000 1.109 64 F CB 0.323 39.326 39.000 0.004 0.000 1.262 64 F HN 0.420 nan 8.300 nan 0.000 0.534 65 P HA -0.026 nan 4.420 nan 0.000 0.269 65 P C -0.851 176.579 177.300 0.216 0.000 1.217 65 P CA -0.277 62.955 63.100 0.219 0.000 0.783 65 P CB 0.326 32.134 31.700 0.180 0.000 0.898 66 N N 0.650 119.492 118.700 0.235 0.000 2.399 66 N HA 0.005 4.744 4.740 -0.000 0.000 0.250 66 N C 1.457 177.013 175.510 0.077 0.000 1.272 66 N CA 0.089 53.282 53.050 0.238 0.000 0.928 66 N CB -0.067 38.688 38.487 0.447 0.000 1.158 66 N HN 0.439 nan 8.380 nan 0.000 0.463 67 G N -0.136 108.655 108.800 -0.017 0.000 2.469 67 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.219 67 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.219 67 G C 1.465 176.309 174.900 -0.093 0.000 1.150 67 G CA 1.913 46.913 45.100 -0.166 0.000 0.763 67 G HN 0.827 nan 8.290 nan 0.000 0.561 68 T N -1.281 113.160 114.554 -0.188 0.000 2.915 68 T HA 0.121 4.470 4.350 -0.000 0.000 0.269 68 T C 2.365 176.502 174.700 -0.937 0.000 1.071 68 T CA 1.481 63.343 62.100 -0.396 0.000 1.132 68 T CB -0.321 68.346 68.868 -0.335 0.000 0.878 68 T HN 0.254 nan 8.240 nan 0.000 0.479 69 G N 1.835 110.107 108.800 -0.881 0.000 2.404 69 G HA2 0.024 3.984 3.960 -0.000 0.000 0.214 69 G HA3 0.024 3.984 3.960 -0.000 0.000 0.214 69 G C 1.497 176.164 174.900 -0.390 0.000 1.189 69 G CA 0.509 44.986 45.100 -1.038 0.000 0.789 69 G HN 0.487 nan 8.290 nan 0.000 0.533 70 L N 0.887 122.029 121.223 -0.135 0.000 2.021 70 L HA -0.229 4.111 4.340 -0.000 0.000 0.215 70 L C 3.395 180.209 176.870 -0.093 0.000 1.074 70 L CA 1.430 56.261 54.840 -0.016 0.000 0.760 70 L CB -0.514 41.628 42.059 0.139 0.000 0.889 70 L HN 0.333 nan 8.230 nan 0.000 0.433 71 A N -0.945 121.808 122.820 -0.111 0.000 1.969 71 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 71 A C 2.407 179.776 177.584 -0.359 0.000 1.169 71 A CA 1.788 53.658 52.037 -0.279 0.000 0.635 71 A CB -0.485 18.410 19.000 -0.175 0.000 0.810 71 A HN 0.394 nan 8.150 nan 0.000 0.445 72 S N -0.069 115.498 115.700 -0.220 0.000 2.500 72 S HA -0.119 4.351 4.470 -0.000 0.000 0.239 72 S C 2.032 176.728 174.600 0.160 0.000 0.989 72 S CA 1.538 59.755 58.200 0.028 0.000 0.951 72 S CB -0.623 62.609 63.200 0.053 0.000 0.759 72 S HN 0.915 nan 8.310 nan 0.000 0.523 73 T N -0.850 113.724 114.554 0.034 0.000 2.915 73 T HA -0.045 4.305 4.350 -0.000 0.000 0.269 73 T C 0.824 175.630 174.700 0.177 0.000 1.071 73 T CA 0.479 62.629 62.100 0.082 0.000 1.132 73 T CB -0.935 67.955 68.868 0.036 0.000 0.878 73 T HN 0.342 nan 8.240 nan 0.000 0.479 74 F N 1.434 121.281 119.950 -0.172 0.000 3.079 74 F HA -0.142 4.385 4.527 -0.001 0.000 0.274 74 F C 0.158 176.023 175.800 0.109 0.000 0.940 74 F CA 0.728 58.595 58.000 -0.222 0.000 0.932 74 F CB -1.546 37.266 39.000 -0.313 0.000 0.891 74 F HN 0.320 nan 8.300 nan 0.000 0.722 75 D N 0.085 120.593 120.400 0.179 0.000 2.408 75 D HA 0.269 4.909 4.640 -0.000 0.000 0.261 75 D C 1.171 177.513 176.300 0.070 0.000 1.190 75 D CA -0.454 53.632 54.000 0.142 0.000 0.910 75 D CB 0.549 41.398 40.800 0.083 0.000 1.097 75 D HN 0.189 nan 8.370 nan 0.000 0.522 76 R N 1.264 121.804 120.500 0.066 0.000 2.091 76 R HA -0.131 4.209 4.340 -0.000 0.000 0.238 76 R C 0.867 177.137 176.300 -0.050 0.000 1.136 76 R CA 1.212 57.288 56.100 -0.041 0.000 0.959 76 R CB 0.213 30.436 30.300 -0.129 0.000 0.856 76 R HN 0.372 nan 8.270 nan 0.000 0.437 77 D N 0.631 121.014 120.400 -0.030 0.000 2.097 77 D HA -0.131 4.509 4.640 -0.000 0.000 0.197 77 D C 1.839 178.133 176.300 -0.011 0.000 0.984 77 D CA 0.825 54.809 54.000 -0.026 0.000 0.826 77 D CB -0.175 40.616 40.800 -0.015 0.000 0.973 77 D HN 0.034 nan 8.370 nan 0.000 0.460 78 L N 0.677 121.902 121.223 0.004 0.000 2.083 78 L HA -0.075 4.265 4.340 -0.000 0.000 0.209 78 L C 2.175 179.053 176.870 0.014 0.000 1.083 78 L CA 1.239 56.090 54.840 0.018 0.000 0.752 78 L CB -0.439 41.639 42.059 0.030 0.000 0.899 78 L HN 0.008 nan 8.230 nan 0.000 0.433 79 L N -1.007 120.206 121.223 -0.018 0.000 2.093 79 L HA -0.195 4.144 4.340 -0.000 0.000 0.208 79 L C 2.479 179.323 176.870 -0.043 0.000 1.085 79 L CA 1.232 56.045 54.840 -0.046 0.000 0.755 79 L CB -0.595 41.386 42.059 -0.129 0.000 0.904 79 L HN 0.335 nan 8.230 nan 0.000 0.435 80 E N -0.369 119.804 120.200 -0.045 0.000 2.077 80 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 80 E C 2.105 178.702 176.600 -0.005 0.000 0.989 80 E CA 1.744 58.123 56.400 -0.035 0.000 0.800 80 E CB -0.004 29.674 29.700 -0.037 0.000 0.746 80 E HN 0.418 nan 8.360 nan 0.000 0.452 81 T N 0.439 115.000 114.554 0.013 0.000 2.821 81 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 81 T C 1.848 176.597 174.700 0.081 0.000 1.046 81 T CA 1.101 63.226 62.100 0.041 0.000 1.139 81 T CB -0.122 68.770 68.868 0.040 0.000 0.871 81 T HN 0.238 nan 8.240 nan 0.000 0.454 82 A N 1.231 124.106 122.820 0.092 0.000 1.898 82 A HA 0.150 4.470 4.320 -0.000 0.000 0.216 82 A C 2.606 180.211 177.584 0.035 0.000 1.181 82 A CA 1.769 53.908 52.037 0.169 0.000 0.620 82 A CB -1.257 17.834 19.000 0.152 0.000 0.819 82 A HN 0.504 nan 8.150 nan 0.000 0.442 83 G N -0.222 108.557 108.800 -0.035 0.000 2.408 83 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.217 83 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.217 83 G C 1.616 176.502 174.900 -0.023 0.000 1.150 83 G CA 1.221 46.275 45.100 -0.077 0.000 0.776 83 G HN 0.623 nan 8.290 nan 0.000 0.542 84 K N -0.490 119.921 120.400 0.018 0.000 2.057 84 K HA 0.000 4.320 4.320 -0.000 0.000 0.207 84 K C 1.495 178.139 176.600 0.072 0.000 1.049 84 K CA 0.156 56.466 56.287 0.038 0.000 0.931 84 K CB -0.302 32.220 32.500 0.037 0.000 0.714 84 K HN 0.255 nan 8.250 nan 0.000 0.440 88 K N 0.683 121.121 120.400 0.062 0.000 2.057 88 K HA -0.091 4.229 4.320 -0.000 0.000 0.207 88 K C 1.595 178.240 176.600 0.076 0.000 1.049 88 K CA 1.468 57.794 56.287 0.065 0.000 0.931 88 K CB -0.083 32.461 32.500 0.074 0.000 0.714 88 K HN 0.465 nan 8.250 nan 0.000 0.440 89 E N 0.642 120.906 120.200 0.106 0.000 2.085 89 E HA -0.171 4.178 4.350 -0.000 0.000 0.194 89 E C 2.138 178.768 176.600 0.050 0.000 0.994 89 E CA 0.969 57.434 56.400 0.109 0.000 0.801 89 E CB -0.199 29.600 29.700 0.165 0.000 0.743 89 E HN 0.132 nan 8.360 nan 0.000 0.453 90 S N 0.375 116.091 115.700 0.027 0.000 2.355 90 S HA -0.085 4.385 4.470 -0.000 0.000 0.222 90 S C 2.106 176.713 174.600 0.011 0.000 1.031 90 S CA 0.617 58.815 58.200 -0.002 0.000 0.993 90 S CB -0.147 63.046 63.200 -0.010 0.000 0.859 90 S HN 0.159 nan 8.310 nan 0.000 0.453 91 I N 1.594 122.179 120.570 0.025 0.000 2.264 91 I HA -0.194 3.975 4.170 -0.000 0.000 0.248 91 I C 2.580 178.714 176.117 0.028 0.000 1.111 91 I CA 1.187 62.503 61.300 0.027 0.000 1.382 91 I CB -0.392 37.624 38.000 0.027 0.000 1.060 91 I HN 0.341 nan 8.210 nan 0.000 0.418 92 A N -0.103 122.738 122.820 0.036 0.000 2.121 92 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 92 A C 1.915 179.518 177.584 0.031 0.000 1.154 92 A CA 1.233 53.294 52.037 0.040 0.000 0.679 92 A CB -0.156 18.881 19.000 0.062 0.000 0.795 92 A HN 0.205 nan 8.150 nan 0.000 0.458 93 K N -0.452 119.957 120.400 0.016 0.000 2.397 93 K HA 0.127 4.446 4.320 -0.000 0.000 0.202 93 K C -0.253 176.353 176.600 0.010 0.000 1.022 93 K CA -0.019 56.267 56.287 -0.002 0.000 1.141 93 K CB -0.372 32.102 32.500 -0.044 0.000 0.857 93 K HN 0.601 nan 8.250 nan 0.000 0.514 94 N N 0.904 119.618 118.700 0.023 0.000 2.716 94 N HA -0.225 4.515 4.740 -0.000 0.000 0.250 94 N C -0.758 174.778 175.510 0.042 0.000 1.033 94 N CA 0.580 53.653 53.050 0.038 0.000 0.727 94 N CB -0.574 37.944 38.487 0.053 0.000 0.950 94 N HN 0.304 nan 8.380 nan 0.000 0.541 95 A N -0.248 122.582 122.820 0.016 0.000 2.258 95 A HA 0.743 5.062 4.320 -0.000 0.000 0.316 95 A C 1.031 178.631 177.584 0.027 0.000 1.279 95 A CA 0.055 52.097 52.037 0.008 0.000 0.876 95 A CB 1.100 20.073 19.000 -0.045 0.000 1.170 95 A HN 0.382 nan 8.150 nan 0.000 0.520 96 A N 2.521 125.373 122.820 0.052 0.000 2.169 96 A HA 0.443 4.763 4.320 -0.000 0.000 0.212 96 A C 0.485 178.120 177.584 0.085 0.000 1.153 96 A CA 0.809 52.890 52.037 0.073 0.000 0.756 96 A CB 0.038 19.089 19.000 0.085 0.000 0.813 96 A HN 0.917 nan 8.150 nan 0.000 0.471 97 V N 0.677 120.622 119.914 0.051 0.000 2.668 97 V HA 0.366 4.486 4.120 -0.000 0.000 0.304 97 V C -0.820 175.265 176.094 -0.014 0.000 1.071 97 V CA -0.496 61.821 62.300 0.029 0.000 0.894 97 V CB 1.765 33.610 31.823 0.037 0.000 1.008 97 V HN 0.309 nan 8.190 nan 0.000 0.425 98 I N 4.787 125.333 120.570 -0.039 0.000 2.385 98 I HA 0.376 4.545 4.170 -0.000 0.000 0.294 98 I C -0.042 176.017 176.117 -0.096 0.000 0.988 98 I CA -0.493 60.758 61.300 -0.081 0.000 1.265 98 I CB 1.574 39.518 38.000 -0.095 0.000 1.388 98 I HN 0.431 nan 8.210 nan 0.000 0.480 99 L N 6.553 127.702 121.223 -0.124 0.000 2.466 99 L HA 0.528 4.868 4.340 -0.000 0.000 0.248 99 L C 0.440 177.209 176.870 -0.169 0.000 1.240 99 L CA -0.168 54.585 54.840 -0.144 0.000 1.180 99 L CB -0.668 41.282 42.059 -0.182 0.000 1.413 99 L HN 0.812 nan 8.230 nan 0.000 0.406 100 G N 1.506 110.212 108.800 -0.156 0.000 2.368 100 G HA2 0.383 4.343 3.960 -0.000 0.000 0.293 100 G HA3 0.383 4.343 3.960 -0.000 0.000 0.293 100 G C -3.352 171.466 174.900 -0.137 0.000 1.467 100 G CA -0.619 44.376 45.100 -0.175 0.000 0.804 100 G HN -0.065 nan 8.290 nan 0.000 0.535 101 P HA 0.456 nan 4.420 nan 0.000 0.281 101 P C -0.399 176.745 177.300 -0.259 0.000 1.281 101 P CA -0.127 62.873 63.100 -0.167 0.000 0.811 101 P CB 1.246 32.956 31.700 0.017 0.000 1.154 102 T N 0.014 114.330 114.554 -0.396 0.000 2.829 102 T HA 0.405 4.755 4.350 -0.000 0.000 0.282 102 T C 0.341 174.786 174.700 -0.426 0.000 0.990 102 T CA 0.046 61.905 62.100 -0.402 0.000 1.028 102 T CB 0.334 68.973 68.868 -0.381 0.000 0.951 102 T HN 0.394 nan 8.240 nan 0.000 0.460 103 T N 3.060 117.451 114.554 -0.271 0.000 3.967 103 T HA 0.258 4.608 4.350 -0.000 0.000 0.262 103 T C 0.037 174.720 174.700 -0.028 0.000 0.966 103 T CA -0.577 61.408 62.100 -0.191 0.000 1.169 103 T CB -0.683 68.065 68.868 -0.199 0.000 1.038 103 T HN 0.556 nan 8.240 nan 0.000 0.541 107 R N -0.855 119.731 120.500 0.143 0.000 2.148 107 R HA 0.173 4.513 4.340 -0.000 0.000 0.227 107 R C 0.613 176.893 176.300 -0.033 0.000 1.103 107 R CA 1.302 57.445 56.100 0.070 0.000 0.983 107 R CB 0.259 30.595 30.300 0.060 0.000 0.874 107 R HN 0.268 nan 8.270 nan 0.000 0.451 108 G N 0.409 109.133 108.800 -0.127 0.000 2.630 108 G HA2 0.384 4.344 3.960 -0.000 0.000 0.296 108 G HA3 0.384 4.344 3.960 -0.000 0.000 0.296 108 G C -2.339 172.304 174.900 -0.429 0.000 1.285 108 G CA -1.569 43.273 45.100 -0.429 0.000 0.958 108 G HN -0.134 nan 8.290 nan 0.000 0.479 109 P HA 0.064 nan 4.420 nan 0.000 0.236 109 P C 1.132 178.286 177.300 -0.244 0.000 1.177 109 P CA 0.395 63.341 63.100 -0.257 0.000 0.773 109 P CB 0.441 31.995 31.700 -0.244 0.000 0.878 110 L N -0.989 119.985 121.223 -0.415 0.000 2.607 110 L HA 0.265 4.605 4.340 -0.000 0.000 0.228 110 L C 1.327 178.291 176.870 0.156 0.000 1.123 110 L CA -0.289 54.469 54.840 -0.137 0.000 0.890 110 L CB -0.591 41.395 42.059 -0.122 0.000 1.103 110 L HN -0.070 nan 8.230 nan 0.000 0.468 111 G N -0.005 108.933 108.800 0.231 0.000 2.225 111 G HA2 0.147 4.107 3.960 -0.000 0.000 0.245 111 G HA3 0.147 4.107 3.960 -0.000 0.000 0.245 111 G C 1.134 176.192 174.900 0.264 0.000 1.249 111 G CA 0.273 45.634 45.100 0.435 0.000 0.919 111 G HN 0.329 nan 8.290 nan 0.000 0.486 112 G N 1.761 110.698 108.800 0.229 0.000 2.448 112 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.219 112 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.219 112 G C 1.479 176.507 174.900 0.213 0.000 1.127 112 G CA 0.198 45.407 45.100 0.181 0.000 0.766 112 G HN 0.617 nan 8.290 nan 0.000 0.552 113 R N 0.210 120.752 120.500 0.071 0.000 2.507 113 R HA 0.191 4.531 4.340 -0.000 0.000 0.298 113 R C 2.325 178.466 176.300 -0.264 0.000 0.999 113 R CA 0.231 56.197 56.100 -0.224 0.000 1.082 113 R CB 0.495 30.676 30.300 -0.199 0.000 1.246 113 R HN 0.251 nan 8.270 nan 0.000 0.553 114 G N 1.442 110.245 108.800 0.006 0.000 2.450 114 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.220 114 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.220 114 G C 1.261 176.168 174.900 0.011 0.000 1.130 114 G CA 0.699 45.822 45.100 0.038 0.000 0.760 114 G HN 0.468 nan 8.290 nan 0.000 0.557 115 F N 0.822 120.840 119.950 0.113 0.000 2.250 115 F HA 0.062 4.588 4.527 -0.000 0.000 0.301 115 F C 2.009 177.834 175.800 0.043 0.000 1.077 115 F CA 1.502 59.581 58.000 0.131 0.000 1.348 115 F CB -0.237 38.922 39.000 0.264 0.000 1.040 115 F HN 0.316 nan 8.300 nan 0.000 0.509 116 E N 0.349 120.071 120.200 -0.796 0.000 2.276 116 E HA 0.052 4.402 4.350 -0.000 0.000 0.193 116 E C 0.805 177.113 176.600 -0.488 0.000 0.983 116 E CA 0.227 56.200 56.400 -0.712 0.000 0.861 116 E CB 0.214 29.314 29.700 -1.000 0.000 0.817 116 E HN 0.440 nan 8.360 nan 0.000 0.485 117 S N -0.704 114.749 115.700 -0.411 0.000 2.666 117 S HA 0.242 4.712 4.470 -0.000 0.000 0.279 117 S C 0.421 174.750 174.600 -0.452 0.000 1.149 117 S CA -0.744 57.181 58.200 -0.459 0.000 1.020 117 S CB 0.339 63.412 63.200 -0.212 0.000 1.127 117 S HN 0.131 nan 8.310 nan 0.000 0.537 118 F N 0.822 120.705 119.950 -0.112 0.000 2.315 118 F HA 0.405 4.932 4.527 -0.001 0.000 0.284 118 F C 1.320 177.057 175.800 -0.105 0.000 1.049 118 F CA 0.277 58.194 58.000 -0.140 0.000 1.323 118 F CB -0.053 38.848 39.000 -0.165 0.000 1.113 118 F HN 0.421 nan 8.300 nan 0.000 0.544 119 S N -0.953 114.841 115.700 0.158 0.000 2.556 119 S HA 0.179 4.648 4.470 -0.000 0.000 0.280 119 S C 0.294 174.987 174.600 0.155 0.000 1.141 119 S CA -0.519 57.780 58.200 0.165 0.000 0.883 119 S CB 0.906 64.197 63.200 0.152 0.000 1.103 119 S HN 0.415 nan 8.310 nan 0.000 0.453 120 E N 1.717 122.034 120.200 0.195 0.000 2.338 120 E HA -0.090 4.260 4.350 -0.000 0.000 0.197 120 E C 0.102 176.738 176.600 0.061 0.000 1.007 120 E CA 0.742 57.222 56.400 0.133 0.000 0.849 120 E CB -0.075 29.737 29.700 0.187 0.000 0.774 120 E HN 0.524 nan 8.360 nan 0.000 0.506 121 D N 1.442 121.899 120.400 0.095 0.000 2.249 121 D HA 0.078 4.718 4.640 -0.000 0.000 0.246 121 D C -1.494 174.854 176.300 0.080 0.000 1.114 121 D CA -2.534 51.490 54.000 0.040 0.000 0.854 121 D CB 1.569 42.358 40.800 -0.018 0.000 1.132 121 D HN -0.181 nan 8.370 nan 0.000 0.461 122 P HA -0.133 nan 4.420 nan 0.000 0.225 122 P C 0.822 178.195 177.300 0.122 0.000 1.156 122 P CA 0.706 63.853 63.100 0.078 0.000 0.787 122 P CB 0.112 31.859 31.700 0.077 0.000 0.802 123 Y N 1.031 121.381 120.300 0.083 0.000 2.206 123 Y HA -0.048 4.501 4.550 -0.000 0.000 0.292 123 Y C 2.346 178.316 175.900 0.118 0.000 1.123 123 Y CA 0.807 58.974 58.100 0.110 0.000 1.142 123 Y CB -0.987 37.572 38.460 0.165 0.000 1.006 123 Y HN -0.266 nan 8.280 nan 0.000 0.518 124 L N 0.820 122.114 121.223 0.118 0.000 2.042 124 L HA -0.127 4.213 4.340 -0.000 0.000 0.210 124 L C 2.343 179.073 176.870 -0.233 0.000 1.076 124 L CA 2.288 57.037 54.840 -0.152 0.000 0.749 124 L CB -1.266 40.633 42.059 -0.268 0.000 0.893 124 L HN 0.255 nan 8.230 nan 0.000 0.432 125 A N -0.487 122.272 122.820 -0.101 0.000 1.902 125 A HA 0.133 4.453 4.320 -0.000 0.000 0.217 125 A C 1.647 179.133 177.584 -0.164 0.000 1.181 125 A CA 1.045 53.047 52.037 -0.058 0.000 0.623 125 A CB -1.571 17.461 19.000 0.055 0.000 0.818 125 A HN 0.521 nan 8.150 nan 0.000 0.443 129 T N 0.506 114.701 114.554 -0.598 0.000 2.652 129 T HA -0.170 4.180 4.350 -0.000 0.000 0.267 129 T C 2.146 176.737 174.700 -0.182 0.000 1.039 129 T CA 2.451 64.428 62.100 -0.206 0.000 1.153 129 T CB -0.379 68.424 68.868 -0.109 0.000 0.863 129 T HN 0.629 nan 8.240 nan 0.000 0.428 130 S N 0.681 116.263 115.700 -0.198 0.000 2.370 130 S HA -0.149 4.321 4.470 -0.000 0.000 0.226 130 S C 2.325 176.844 174.600 -0.135 0.000 1.033 130 S CA 1.833 59.950 58.200 -0.137 0.000 1.011 130 S CB -0.534 62.596 63.200 -0.116 0.000 0.852 130 S HN 0.462 nan 8.310 nan 0.000 0.457 131 S N 0.796 116.385 115.700 -0.184 0.000 2.348 131 S HA -0.068 4.402 4.470 -0.000 0.000 0.221 131 S C 1.948 176.477 174.600 -0.119 0.000 1.033 131 S CA 1.410 59.518 58.200 -0.154 0.000 1.010 131 S CB -0.705 62.389 63.200 -0.176 0.000 0.891 131 S HN 0.433 nan 8.310 nan 0.000 0.442 132 V N 1.796 121.629 119.914 -0.134 0.000 2.282 132 V HA -0.187 3.933 4.120 -0.000 0.000 0.249 132 V C 2.366 178.420 176.094 -0.066 0.000 1.057 132 V CA 1.669 63.918 62.300 -0.085 0.000 1.032 132 V CB -0.899 30.901 31.823 -0.039 0.000 0.645 132 V HN 0.335 nan 8.190 nan 0.000 0.447 133 V N -0.437 119.439 119.914 -0.064 0.000 2.287 133 V HA -0.321 3.799 4.120 -0.000 0.000 0.248 133 V C 2.441 178.518 176.094 -0.029 0.000 1.053 133 V CA 2.273 64.544 62.300 -0.049 0.000 1.027 133 V CB -0.747 31.046 31.823 -0.050 0.000 0.646 133 V HN 0.534 nan 8.190 nan 0.000 0.447 134 K N 0.190 120.570 120.400 -0.034 0.000 2.032 134 K HA -0.073 4.247 4.320 -0.000 0.000 0.209 134 K C 1.367 177.963 176.600 -0.007 0.000 1.048 134 K CA 1.150 57.427 56.287 -0.016 0.000 0.927 134 K CB -0.614 31.867 32.500 -0.032 0.000 0.712 134 K HN 0.595 nan 8.250 nan 0.000 0.441 138 G N 1.505 110.353 108.800 0.080 0.000 2.462 138 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.220 138 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.220 138 G C 1.163 176.086 174.900 0.039 0.000 1.121 138 G CA 0.851 45.981 45.100 0.050 0.000 0.758 138 G HN 0.099 nan 8.290 nan 0.000 0.559 139 E N 0.141 120.369 120.200 0.046 0.000 2.489 139 E HA 0.165 4.514 4.350 -0.000 0.000 0.193 139 E C 1.807 178.422 176.600 0.025 0.000 1.057 139 E CA 0.520 56.939 56.400 0.031 0.000 0.866 139 E CB -0.097 29.623 29.700 0.033 0.000 0.916 139 E HN 0.447 nan 8.360 nan 0.000 0.500 140 G N 1.233 110.061 108.800 0.047 0.000 2.141 140 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.242 140 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.242 140 G C 0.168 175.133 174.900 0.109 0.000 0.982 140 G CA -0.096 44.988 45.100 -0.027 0.000 0.662 140 G HN 0.175 nan 8.290 nan 0.000 0.527 141 I N 1.259 121.951 120.570 0.203 0.000 2.359 141 I HA 0.671 4.840 4.170 -0.000 0.000 0.294 141 I C 0.869 177.128 176.117 0.237 0.000 0.987 141 I CA -1.078 60.352 61.300 0.217 0.000 1.225 141 I CB 1.219 39.275 38.000 0.092 0.000 1.366 141 I HN 0.325 nan 8.210 nan 0.000 0.466 142 A N 5.333 128.263 122.820 0.182 0.000 2.366 142 A HA 0.700 5.020 4.320 -0.000 0.000 0.272 142 A C 0.326 177.866 177.584 -0.073 0.000 1.135 142 A CA -0.368 51.608 52.037 -0.102 0.000 0.804 142 A CB 0.375 19.270 19.000 -0.175 0.000 1.064 142 A HN 0.854 nan 8.150 nan 0.000 0.499 143 A N 2.059 124.815 122.820 -0.106 0.000 2.302 143 A HA 0.684 5.004 4.320 -0.000 0.000 0.285 143 A C 0.277 177.825 177.584 -0.061 0.000 1.105 143 A CA -0.234 51.758 52.037 -0.074 0.000 0.816 143 A CB 0.374 19.334 19.000 -0.066 0.000 1.067 143 A HN 0.819 nan 8.150 nan 0.000 0.489 144 T N 1.707 116.224 114.554 -0.062 0.000 2.934 144 T HA 0.409 4.759 4.350 -0.000 0.000 0.328 144 T C -0.455 174.207 174.700 -0.062 0.000 1.068 144 T CA -0.286 61.789 62.100 -0.041 0.000 1.018 144 T CB 0.662 69.500 68.868 -0.050 0.000 1.009 144 T HN 0.431 nan 8.240 nan 0.000 0.471 145 V N 5.316 125.207 119.914 -0.039 0.000 2.555 145 V HA 0.463 4.583 4.120 -0.000 0.000 0.286 145 V C 0.432 176.557 176.094 0.051 0.000 1.044 145 V CA -0.191 62.076 62.300 -0.056 0.000 1.026 145 V CB 0.488 32.258 31.823 -0.087 0.000 0.981 145 V HN 0.853 nan 8.190 nan 0.000 0.480 146 K N 3.243 123.609 120.400 -0.056 0.000 2.495 146 K HA 0.635 4.954 4.320 -0.000 0.000 0.268 146 K C -1.552 175.017 176.600 -0.053 0.000 1.008 146 K CA -1.081 55.164 56.287 -0.069 0.000 0.882 146 K CB 1.891 34.108 32.500 -0.472 0.000 1.443 146 K HN 0.617 nan 8.250 nan 0.000 0.447 147 H N 0.355 119.605 119.070 0.300 0.000 2.476 147 H HA 0.323 4.878 4.556 -0.000 0.000 0.328 147 H C -1.581 173.903 175.328 0.260 0.000 1.073 147 H CA -0.493 55.681 56.048 0.211 0.000 1.229 147 H CB 0.927 30.719 29.762 0.049 0.000 1.432 147 H HN 0.434 nan 8.280 nan 0.000 0.477 148 F N 4.841 124.770 119.950 -0.035 0.000 2.375 148 F HA 0.456 4.983 4.527 -0.000 0.000 0.362 148 F C -0.644 175.015 175.800 -0.235 0.000 1.129 148 F CA -0.300 57.413 58.000 -0.477 0.000 1.154 148 F CB 0.028 38.601 39.000 -0.712 0.000 1.205 148 F HN 0.357 nan 8.300 nan 0.000 0.513 149 V N 4.913 124.557 119.914 -0.450 0.000 3.232 149 V HA 0.374 4.493 4.120 -0.000 0.000 0.303 149 V C -0.378 175.604 176.094 -0.187 0.000 1.311 149 V CA -0.818 61.246 62.300 -0.394 0.000 1.061 149 V CB 1.951 33.247 31.823 -0.879 0.000 1.085 149 V HN 0.845 nan 8.190 nan 0.000 0.447 150 C N 2.452 121.732 119.300 -0.034 0.000 4.497 150 C HA -0.105 4.354 4.460 -0.000 0.000 0.292 150 C C 0.727 175.723 174.990 0.009 0.000 1.366 150 C CA 0.897 59.878 59.018 -0.061 0.000 1.987 150 C CB -2.744 24.796 27.740 -0.334 0.000 1.241 150 C HN 0.990 nan 8.230 nan 0.000 0.788 151 N N 1.138 119.880 118.700 0.070 0.000 3.124 151 N HA 0.199 4.939 4.740 -0.000 0.000 0.284 151 N C 0.533 176.092 175.510 0.082 0.000 1.209 151 N CA 0.093 53.175 53.050 0.052 0.000 1.149 151 N CB 0.107 38.617 38.487 0.037 0.000 1.434 151 N HN 0.464 nan 8.380 nan 0.000 0.529 152 D N 0.786 121.231 120.400 0.075 0.000 2.398 152 D HA 0.121 4.761 4.640 -0.000 0.000 0.210 152 D C -0.040 176.269 176.300 0.014 0.000 1.094 152 D CA 0.114 54.178 54.000 0.107 0.000 0.839 152 D CB 0.535 41.428 40.800 0.156 0.000 0.963 152 D HN 0.404 nan 8.370 nan 0.000 0.506 153 L N -2.911 118.246 121.223 -0.111 0.000 2.491 153 L HA 0.534 4.873 4.340 -0.000 0.000 0.254 153 L C 0.468 177.281 176.870 -0.094 0.000 1.048 153 L CA -0.725 53.995 54.840 -0.200 0.000 0.855 153 L CB 1.268 42.868 42.059 -0.766 0.000 1.466 153 L HN -0.470 nan 8.230 nan 0.000 0.409 154 E N -0.606 119.572 120.200 -0.037 0.000 2.307 154 E HA 0.020 4.369 4.350 -0.000 0.000 0.195 154 E C -0.387 176.217 176.600 0.007 0.000 0.975 154 E CA 0.434 56.838 56.400 0.006 0.000 0.878 154 E CB 0.085 29.817 29.700 0.054 0.000 0.845 154 E HN 0.868 nan 8.360 nan 0.000 0.488 155 D N 2.119 122.511 120.400 -0.014 0.000 2.536 155 D HA -0.132 4.508 4.640 -0.000 0.000 0.260 155 D C -0.224 176.066 176.300 -0.016 0.000 1.270 155 D CA 0.756 54.751 54.000 -0.008 0.000 0.934 155 D CB -0.054 40.717 40.800 -0.049 0.000 1.129 155 D HN -0.005 nan 8.370 nan 0.000 0.533 156 Q N 1.134 120.949 119.800 0.024 0.000 2.487 156 Q HA -0.322 4.018 4.340 -0.000 0.000 0.279 156 Q C 1.263 177.299 176.000 0.060 0.000 1.228 156 Q CA 0.929 56.757 55.803 0.041 0.000 0.873 156 Q CB -0.931 27.808 28.738 0.002 0.000 1.260 156 Q HN 0.750 nan 8.270 nan 0.000 0.471 157 R N -0.753 119.777 120.500 0.051 0.000 2.159 157 R HA -0.153 4.186 4.340 -0.000 0.000 0.237 157 R C 1.225 177.536 176.300 0.018 0.000 1.131 157 R CA 1.894 57.993 56.100 -0.002 0.000 0.982 157 R CB -0.473 29.791 30.300 -0.061 0.000 0.868 157 R HN 0.319 nan 8.270 nan 0.000 0.453 158 F N 1.979 121.911 119.950 -0.031 0.000 2.365 158 F HA -0.108 4.418 4.527 -0.001 0.000 0.300 158 F C 2.427 178.299 175.800 0.119 0.000 1.090 158 F CA 1.583 59.636 58.000 0.087 0.000 1.408 158 F CB 0.161 39.190 39.000 0.049 0.000 1.060 158 F HN 0.258 nan 8.300 nan 0.000 0.534 159 S N -2.831 112.982 115.700 0.188 0.000 2.559 159 S HA 0.117 4.587 4.470 -0.000 0.000 0.226 159 S C 0.810 175.368 174.600 -0.070 0.000 1.030 159 S CA -0.320 57.910 58.200 0.051 0.000 0.956 159 S CB -0.346 62.879 63.200 0.041 0.000 0.900 159 S HN 0.031 nan 8.310 nan 0.000 0.510 160 S N 3.188 118.862 115.700 -0.042 0.000 2.544 160 S HA 0.183 4.653 4.470 -0.000 0.000 0.290 160 S C -0.151 174.370 174.600 -0.132 0.000 1.276 160 S CA -0.285 57.868 58.200 -0.078 0.000 1.075 160 S CB -0.411 62.750 63.200 -0.065 0.000 0.849 160 S HN 0.511 nan 8.310 nan 0.000 0.494 161 N N 3.766 122.382 118.700 -0.140 0.000 2.437 161 N HA 0.191 4.931 4.740 -0.000 0.000 0.243 161 N C -0.992 174.420 175.510 -0.165 0.000 1.041 161 N CA -0.126 52.818 53.050 -0.176 0.000 0.940 161 N CB 0.632 39.021 38.487 -0.163 0.000 1.133 161 N HN 0.398 nan 8.380 nan 0.000 0.506 162 S N 4.154 119.720 115.700 -0.223 0.000 2.430 162 S HA 0.292 4.761 4.470 -0.000 0.000 0.282 162 S C 0.488 174.810 174.600 -0.463 0.000 1.186 162 S CA -0.368 57.623 58.200 -0.349 0.000 1.060 162 S CB -0.129 62.775 63.200 -0.493 0.000 0.966 162 S HN 0.454 nan 8.310 nan 0.000 0.501 163 I N 4.190 124.540 120.570 -0.366 0.000 2.307 163 I HA 0.447 4.616 4.170 -0.000 0.000 0.289 163 I C -0.352 175.563 176.117 -0.338 0.000 1.021 163 I CA -0.464 60.668 61.300 -0.280 0.000 1.224 163 I CB 1.212 39.135 38.000 -0.129 0.000 1.376 163 I HN 0.280 nan 8.210 nan 0.000 0.470 164 V N 6.123 125.811 119.914 -0.376 0.000 2.808 164 V HA 0.445 4.565 4.120 -0.000 0.000 0.308 164 V C 0.032 176.015 176.094 -0.184 0.000 1.099 164 V CA -0.375 61.711 62.300 -0.357 0.000 0.920 164 V CB 2.574 33.951 31.823 -0.743 0.000 1.014 164 V HN 0.821 nan 8.190 nan 0.000 0.425 165 S N 3.441 119.098 115.700 -0.073 0.000 2.584 165 S HA 0.206 4.676 4.470 -0.000 0.000 0.270 165 S C 0.956 175.511 174.600 -0.074 0.000 1.346 165 S CA 0.699 58.872 58.200 -0.046 0.000 1.018 165 S CB 1.279 64.486 63.200 0.010 0.000 0.899 165 S HN 0.985 nan 8.310 nan 0.000 0.542 166 E N 1.199 121.354 120.200 -0.075 0.000 2.153 166 E HA -0.181 4.169 4.350 -0.000 0.000 0.194 166 E C 2.149 178.626 176.600 -0.205 0.000 0.988 166 E CA 1.545 57.858 56.400 -0.146 0.000 0.811 166 E CB -0.176 29.482 29.700 -0.071 0.000 0.746 166 E HN 0.775 nan 8.360 nan 0.000 0.466 167 R N -0.453 120.037 120.500 -0.016 0.000 2.073 167 R HA -0.087 4.253 4.340 -0.000 0.000 0.234 167 R C 2.141 178.417 176.300 -0.039 0.000 1.134 167 R CA 1.483 57.603 56.100 0.033 0.000 0.952 167 R CB -0.356 30.024 30.300 0.135 0.000 0.850 167 R HN 0.233 nan 8.270 nan 0.000 0.433 168 A N 0.942 123.772 122.820 0.018 0.000 1.929 168 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 168 A C 2.013 179.707 177.584 0.182 0.000 1.176 168 A CA 0.966 53.066 52.037 0.106 0.000 0.628 168 A CB -0.572 18.555 19.000 0.212 0.000 0.816 168 A HN 0.384 nan 8.150 nan 0.000 0.444 169 L N -0.051 121.225 121.223 0.089 0.000 2.013 169 L HA -0.206 4.134 4.340 -0.000 0.000 0.212 169 L C 2.444 179.321 176.870 0.013 0.000 1.073 169 L CA 2.000 56.881 54.840 0.068 0.000 0.753 169 L CB -0.490 41.485 42.059 -0.140 0.000 0.890 169 L HN 0.264 nan 8.230 nan 0.000 0.432 170 R N -0.042 120.327 120.500 -0.218 0.000 2.062 170 R HA -0.102 4.237 4.340 -0.000 0.000 0.231 170 R C 2.181 178.533 176.300 0.086 0.000 1.136 170 R CA 1.910 57.848 56.100 -0.270 0.000 0.948 170 R CB -0.701 28.891 30.300 -1.180 0.000 0.845 170 R HN 0.588 nan 8.270 nan 0.000 0.430 171 E N -0.188 120.052 120.200 0.067 0.000 2.216 171 E HA -0.016 4.334 4.350 -0.000 0.000 0.192 171 E C 1.752 178.435 176.600 0.139 0.000 0.988 171 E CA 0.594 57.146 56.400 0.254 0.000 0.834 171 E CB 0.231 30.049 29.700 0.196 0.000 0.772 171 E HN 0.195 nan 8.360 nan 0.000 0.479 172 I N -0.976 119.583 120.570 -0.018 0.000 3.136 172 I HA -0.031 4.139 4.170 -0.000 0.000 0.262 172 I C 1.626 177.566 176.117 -0.295 0.000 1.132 172 I CA 0.868 62.010 61.300 -0.264 0.000 1.450 172 I CB -0.853 36.766 38.000 -0.636 0.000 1.315 172 I HN 0.051 nan 8.210 nan 0.000 0.460 173 Y N 0.990 121.391 120.300 0.169 0.000 2.301 173 Y HA 0.174 4.724 4.550 -0.001 0.000 0.295 173 Y C 2.487 178.570 175.900 0.305 0.000 1.126 173 Y CA 0.644 58.867 58.100 0.204 0.000 1.154 173 Y CB -0.447 38.088 38.460 0.125 0.000 1.075 173 Y HN -0.091 nan 8.280 nan 0.000 0.534 174 L N -0.157 121.293 121.223 0.379 0.000 2.240 174 L HA -0.112 4.227 4.340 -0.000 0.000 0.211 174 L C 2.307 179.534 176.870 0.594 0.000 1.106 174 L CA 1.079 56.229 54.840 0.516 0.000 0.793 174 L CB -0.262 42.045 42.059 0.413 0.000 0.927 174 L HN 0.155 nan 8.230 nan 0.000 0.446 175 E N 0.973 121.409 120.200 0.394 0.000 2.097 175 E HA -0.192 4.157 4.350 -0.000 0.000 0.196 175 E C -0.685 176.024 176.600 0.182 0.000 1.000 175 E CA 1.649 58.222 56.400 0.289 0.000 0.804 175 E CB -0.924 28.925 29.700 0.249 0.000 0.740 175 E HN 0.289 nan 8.360 nan 0.000 0.454 176 P HA -0.099 nan 4.420 nan 0.000 0.221 176 P C 0.940 178.189 177.300 -0.086 0.000 1.150 176 P CA 1.069 64.161 63.100 -0.013 0.000 0.800 176 P CB -0.149 31.499 31.700 -0.085 0.000 0.787 177 F N 0.517 120.534 119.950 0.112 0.000 2.163 177 F HA -0.001 4.525 4.527 -0.000 0.000 0.297 177 F C 2.978 178.681 175.800 -0.161 0.000 1.094 177 F CA 1.095 59.142 58.000 0.078 0.000 1.290 177 F CB -0.874 38.335 39.000 0.349 0.000 1.017 177 F HN -0.224 nan 8.300 nan 0.000 0.483 178 R N 0.793 121.225 120.500 -0.114 0.000 2.094 178 R HA -0.209 4.131 4.340 -0.000 0.000 0.239 178 R C 2.160 178.163 176.300 -0.495 0.000 1.137 178 R CA 1.801 57.384 56.100 -0.862 0.000 0.943 178 R CB -0.681 29.277 30.300 -0.569 0.000 0.850 178 R HN 0.314 nan 8.270 nan 0.000 0.433 179 L N -0.108 120.979 121.223 -0.226 0.000 2.046 179 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 179 L C 2.747 179.548 176.870 -0.115 0.000 1.077 179 L CA 1.335 56.095 54.840 -0.133 0.000 0.747 179 L CB -0.556 41.484 42.059 -0.031 0.000 0.896 179 L HN 0.326 nan 8.230 nan 0.000 0.432 180 A N -0.321 122.418 122.820 -0.136 0.000 1.877 180 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 180 A C 2.355 179.867 177.584 -0.121 0.000 1.186 180 A CA 1.888 53.853 52.037 -0.121 0.000 0.620 180 A CB -0.891 18.013 19.000 -0.159 0.000 0.822 180 A HN 0.182 nan 8.150 nan 0.000 0.443 181 V N 0.326 120.128 119.914 -0.188 0.000 2.295 181 V HA -0.291 3.828 4.120 -0.000 0.000 0.246 181 V C 2.587 178.599 176.094 -0.136 0.000 1.049 181 V CA 2.485 64.692 62.300 -0.155 0.000 1.024 181 V CB -0.647 31.039 31.823 -0.228 0.000 0.648 181 V HN 0.720 nan 8.190 nan 0.000 0.447 182 K N -1.011 119.212 120.400 -0.295 0.000 2.026 182 K HA -0.200 4.120 4.320 -0.000 0.000 0.208 182 K C 2.093 178.467 176.600 -0.376 0.000 1.048 182 K CA 1.741 57.791 56.287 -0.394 0.000 0.929 182 K CB -0.132 31.986 32.500 -0.637 0.000 0.713 182 K HN 0.572 nan 8.250 nan 0.000 0.439 183 H N -1.941 117.063 119.070 -0.111 0.000 2.595 183 H HA 0.220 4.776 4.556 -0.000 0.000 0.265 183 H C 0.941 176.227 175.328 -0.070 0.000 0.953 183 H CA 0.977 56.968 56.048 -0.095 0.000 1.197 183 H CB 1.156 30.845 29.762 -0.121 0.000 1.438 183 H HN 0.344 nan 8.280 nan 0.000 0.531 184 A N 0.275 123.116 122.820 0.035 0.000 2.474 184 A HA 0.071 4.391 4.320 -0.000 0.000 0.221 184 A C 0.503 178.110 177.584 0.038 0.000 1.298 184 A CA 0.120 52.172 52.037 0.024 0.000 1.008 184 A CB 0.275 19.271 19.000 -0.006 0.000 1.217 184 A HN 0.257 nan 8.150 nan 0.000 0.553 185 N N 0.451 119.191 118.700 0.067 0.000 2.642 185 N HA -0.097 4.643 4.740 -0.000 0.000 0.269 185 N C -2.650 172.963 175.510 0.172 0.000 1.073 185 N CA 0.831 53.978 53.050 0.162 0.000 0.748 185 N CB -0.719 37.836 38.487 0.115 0.000 0.894 185 N HN 0.365 nan 8.380 nan 0.000 0.548 186 P HA 0.006 nan 4.420 nan 0.000 0.268 186 P C 1.063 178.509 177.300 0.243 0.000 1.205 186 P CA -0.275 62.908 63.100 0.137 0.000 0.771 186 P CB 0.904 32.649 31.700 0.074 0.000 0.858 187 V N 1.998 121.880 119.914 -0.052 0.000 2.515 187 V HA -0.135 3.985 4.120 -0.000 0.000 0.250 187 V C 1.173 177.285 176.094 0.030 0.000 1.058 187 V CA 1.582 63.768 62.300 -0.191 0.000 1.064 187 V CB -0.282 31.183 31.823 -0.597 0.000 0.675 187 V HN 0.644 nan 8.190 nan 0.000 0.461 188 C N -1.281 118.105 119.300 0.144 0.000 2.889 188 C HA 0.740 5.200 4.460 -0.000 0.000 0.307 188 C C -0.090 175.042 174.990 0.237 0.000 1.251 188 C CA -0.978 58.180 59.018 0.232 0.000 1.593 188 C CB 1.803 29.589 27.740 0.077 0.000 2.104 188 C HN 0.288 nan 8.230 nan 0.000 0.476 192 A N 0.745 123.599 122.820 0.056 0.000 2.296 192 A HA 0.669 4.989 4.320 -0.000 0.000 0.264 192 A C 0.490 178.058 177.584 -0.026 0.000 1.097 192 A CA -0.527 51.513 52.037 0.004 0.000 0.811 192 A CB -0.143 18.870 19.000 0.021 0.000 1.072 192 A HN 0.912 nan 8.150 nan 0.000 0.495 193 Y N 0.573 120.841 120.300 -0.053 0.000 2.337 193 Y HA -0.067 4.482 4.550 -0.001 0.000 0.293 193 Y C 1.721 177.683 175.900 0.103 0.000 1.123 193 Y CA 0.993 59.063 58.100 -0.051 0.000 1.201 193 Y CB -0.249 37.982 38.460 -0.381 0.000 1.011 193 Y HN 0.767 nan 8.280 nan 0.000 0.545 194 N N 1.179 119.983 118.700 0.173 0.000 2.347 194 N HA 0.068 4.808 4.740 -0.000 0.000 0.253 194 N C -0.571 174.931 175.510 -0.013 0.000 1.274 194 N CA -0.266 52.817 53.050 0.054 0.000 0.941 194 N CB 1.027 39.497 38.487 -0.029 0.000 1.200 194 N HN 0.083 nan 8.380 nan 0.000 0.514 195 K N -0.476 119.802 120.400 -0.204 0.000 2.106 195 K HA 0.527 4.847 4.320 -0.000 0.000 0.246 195 K C -0.822 175.630 176.600 -0.246 0.000 0.987 195 K CA -0.896 55.219 56.287 -0.287 0.000 0.904 195 K CB 1.544 33.782 32.500 -0.436 0.000 1.071 195 K HN 0.242 nan 8.250 nan 0.000 0.453 196 V N 1.935 121.698 119.914 -0.251 0.000 2.443 196 V HA 0.126 4.246 4.120 -0.000 0.000 0.293 196 V C -0.493 175.449 176.094 -0.254 0.000 1.021 196 V CA -0.872 61.256 62.300 -0.287 0.000 0.848 196 V CB 0.772 32.404 31.823 -0.319 0.000 0.998 196 V HN 0.905 nan 8.190 nan 0.000 0.424 197 N N 4.180 122.727 118.700 -0.256 0.000 2.725 197 N HA -0.232 4.507 4.740 -0.000 0.000 0.251 197 N C 1.044 176.451 175.510 -0.173 0.000 1.031 197 N CA 0.784 53.713 53.050 -0.202 0.000 0.720 197 N CB -0.740 37.636 38.487 -0.186 0.000 0.930 197 N HN 1.372 nan 8.380 nan 0.000 0.543 198 G N -0.877 107.810 108.800 -0.188 0.000 2.232 198 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.226 198 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.226 198 G C -0.188 174.595 174.900 -0.195 0.000 0.996 198 G CA 0.349 45.347 45.100 -0.171 0.000 0.626 198 G HN 0.571 nan 8.290 nan 0.000 0.509 199 E N 0.488 120.567 120.200 -0.200 0.000 2.199 199 E HA 0.614 4.964 4.350 -0.000 0.000 0.265 199 E C -0.059 176.431 176.600 -0.184 0.000 0.882 199 E CA -0.840 55.459 56.400 -0.169 0.000 0.759 199 E CB 0.500 30.136 29.700 -0.108 0.000 1.148 199 E HN 0.421 nan 8.360 nan 0.000 0.412 200 H N 3.010 122.002 119.070 -0.130 0.000 3.094 200 H HA -0.062 4.494 4.556 -0.000 0.000 0.320 200 H C 0.788 176.087 175.328 -0.048 0.000 1.000 200 H CA 0.336 56.319 56.048 -0.108 0.000 1.413 200 H CB 0.572 30.272 29.762 -0.105 0.000 1.405 200 H HN 0.690 nan 8.280 nan 0.000 0.586 201 C N 1.683 121.034 119.300 0.086 0.000 2.411 201 C HA -0.192 4.268 4.460 -0.000 0.000 0.279 201 C C 2.635 177.662 174.990 0.063 0.000 1.288 201 C CA 1.539 60.560 59.018 0.006 0.000 1.764 201 C CB -0.968 26.744 27.740 -0.047 0.000 1.974 201 C HN 0.942 nan 8.230 nan 0.000 0.498 202 S N 0.917 116.698 115.700 0.135 0.000 2.603 202 S HA -0.103 4.367 4.470 -0.000 0.000 0.229 202 S C 1.128 175.762 174.600 0.057 0.000 0.972 202 S CA 0.740 58.991 58.200 0.086 0.000 0.935 202 S CB -0.550 62.681 63.200 0.052 0.000 0.769 202 S HN 0.924 nan 8.310 nan 0.000 0.536 203 Q N 0.265 120.109 119.800 0.074 0.000 2.088 203 Q HA 0.368 4.707 4.340 -0.000 0.000 0.270 203 Q C -0.393 175.618 176.000 0.019 0.000 0.854 203 Q CA -0.317 55.508 55.803 0.036 0.000 1.104 203 Q CB 0.215 28.971 28.738 0.030 0.000 1.251 203 Q HN 0.244 nan 8.270 nan 0.000 0.436 204 S N 1.147 116.852 115.700 0.010 0.000 2.404 204 S HA 0.191 4.661 4.470 -0.000 0.000 0.309 204 S C 0.767 175.353 174.600 -0.023 0.000 1.076 204 S CA -0.485 57.700 58.200 -0.025 0.000 1.095 204 S CB 1.243 64.405 63.200 -0.064 0.000 0.972 204 S HN 0.508 nan 8.310 nan 0.000 0.484 205 K N 4.729 125.115 120.400 -0.024 0.000 2.097 205 K HA -0.147 4.173 4.320 -0.000 0.000 0.206 205 K C 2.030 178.607 176.600 -0.038 0.000 1.049 205 K CA 1.559 57.833 56.287 -0.021 0.000 0.933 205 K CB -0.171 32.317 32.500 -0.019 0.000 0.717 205 K HN 0.695 nan 8.250 nan 0.000 0.442 206 K N 0.729 121.093 120.400 -0.059 0.000 2.032 206 K HA -0.174 4.146 4.320 -0.000 0.000 0.209 206 K C 2.036 178.575 176.600 -0.101 0.000 1.048 206 K CA 1.631 57.868 56.287 -0.084 0.000 0.927 206 K CB -0.104 32.333 32.500 -0.106 0.000 0.712 206 K HN 0.189 nan 8.250 nan 0.000 0.441 207 L N 0.532 121.697 121.223 -0.097 0.000 2.068 207 L HA -0.082 4.257 4.340 -0.000 0.000 0.204 207 L C 2.403 179.313 176.870 0.067 0.000 1.076 207 L CA 0.726 55.523 54.840 -0.072 0.000 0.753 207 L CB -0.224 41.735 42.059 -0.167 0.000 0.910 207 L HN 0.209 nan 8.230 nan 0.000 0.439 208 L N -0.973 120.282 121.223 0.053 0.000 2.270 208 L HA -0.028 4.311 4.340 -0.000 0.000 0.210 208 L C 2.022 178.916 176.870 0.040 0.000 1.104 208 L CA 0.988 55.872 54.840 0.074 0.000 0.804 208 L CB 0.108 42.206 42.059 0.066 0.000 0.937 208 L HN 0.278 nan 8.230 nan 0.000 0.450 209 I N -1.553 119.022 120.570 0.008 0.000 3.739 209 I HA -0.026 4.143 4.170 -0.000 0.000 0.272 209 I C 1.625 177.731 176.117 -0.019 0.000 1.167 209 I CA 0.153 61.457 61.300 0.007 0.000 1.386 209 I CB 0.067 38.071 38.000 0.008 0.000 1.490 209 I HN 0.007 nan 8.210 nan 0.000 0.452 210 D N 1.649 122.024 120.400 -0.042 0.000 2.117 210 D HA -0.090 4.550 4.640 -0.000 0.000 0.197 210 D C 2.128 178.369 176.300 -0.098 0.000 0.987 210 D CA 1.565 55.535 54.000 -0.051 0.000 0.829 210 D CB 0.133 40.900 40.800 -0.054 0.000 0.961 210 D HN 0.312 nan 8.370 nan 0.000 0.460 211 I N -0.019 120.440 120.570 -0.186 0.000 2.368 211 I HA -0.099 4.070 4.170 -0.000 0.000 0.238 211 I C 2.405 178.224 176.117 -0.497 0.000 1.076 211 I CA 0.286 61.340 61.300 -0.410 0.000 1.397 211 I CB -0.062 37.619 38.000 -0.532 0.000 1.141 211 I HN -0.104 nan 8.210 nan 0.000 0.430 212 L N 0.418 121.435 121.223 -0.344 0.000 2.083 212 L HA -0.184 4.156 4.340 -0.000 0.000 0.209 212 L C 2.744 179.697 176.870 0.140 0.000 1.083 212 L CA 1.238 55.981 54.840 -0.161 0.000 0.752 212 L CB -0.453 41.562 42.059 -0.075 0.000 0.899 212 L HN 0.286 nan 8.230 nan 0.000 0.433 213 R N -0.621 119.931 120.500 0.086 0.000 2.072 213 R HA 0.034 4.374 4.340 -0.000 0.000 0.214 213 R C 1.796 178.156 176.300 0.100 0.000 1.168 213 R CA 0.797 56.967 56.100 0.117 0.000 1.020 213 R CB -0.909 29.434 30.300 0.072 0.000 0.914 213 R HN 0.232 nan 8.270 nan 0.000 0.449 214 D N 0.973 121.408 120.400 0.058 0.000 2.149 214 D HA -0.111 4.529 4.640 -0.000 0.000 0.201 214 D C 1.705 178.066 176.300 0.102 0.000 0.972 214 D CA 1.029 55.068 54.000 0.065 0.000 0.835 214 D CB 0.173 40.997 40.800 0.040 0.000 0.966 214 D HN 0.364 nan 8.370 nan 0.000 0.476 215 E N -0.832 119.429 120.200 0.102 0.000 2.057 215 E HA -0.073 4.276 4.350 -0.000 0.000 0.190 215 E C 1.430 178.260 176.600 0.385 0.000 0.969 215 E CA 0.333 56.852 56.400 0.198 0.000 0.812 215 E CB 0.146 29.935 29.700 0.149 0.000 0.777 215 E HN 0.164 nan 8.360 nan 0.000 0.455 216 W N 1.068 122.454 121.300 0.143 0.000 2.863 216 W HA 0.165 4.825 4.660 -0.000 0.000 0.258 216 W C 0.301 176.910 176.519 0.149 0.000 1.298 216 W CA 0.066 57.500 57.345 0.148 0.000 1.451 216 W CB 0.444 29.988 29.460 0.141 0.000 1.107 216 W HN 0.020 nan 8.180 nan 0.000 0.641 217 K N -1.612 118.990 120.400 0.337 0.000 3.160 217 K HA -0.262 4.058 4.320 -0.000 0.000 0.280 217 K C -0.348 176.400 176.600 0.246 0.000 1.154 217 K CA 0.966 57.386 56.287 0.223 0.000 0.822 217 K CB -2.478 30.117 32.500 0.159 0.000 1.239 217 K HN 0.352 nan 8.250 nan 0.000 0.489 218 W N 1.778 123.160 121.300 0.137 0.000 2.272 218 W HA 0.280 4.940 4.660 -0.000 0.000 0.318 218 W C 0.626 177.172 176.519 0.044 0.000 1.255 218 W CA -0.202 57.200 57.345 0.095 0.000 1.200 218 W CB 0.684 30.226 29.460 0.137 0.000 1.170 218 W HN 0.075 nan 8.180 nan 0.000 0.549 219 D N 3.503 123.465 120.400 -0.730 0.000 2.538 219 D HA 0.219 4.859 4.640 -0.000 0.000 0.231 219 D C 0.701 176.426 176.300 -0.959 0.000 1.229 219 D CA -0.051 53.561 54.000 -0.645 0.000 0.828 219 D CB -0.187 40.427 40.800 -0.310 0.000 1.035 219 D HN 0.413 nan 8.370 nan 0.000 0.495 225 D N 0.189 120.568 120.400 -0.035 0.000 2.384 225 D HA 0.152 4.791 4.640 -0.000 0.000 0.244 225 D C -0.466 175.933 176.300 0.165 0.000 1.251 225 D CA -0.299 53.678 54.000 -0.038 0.000 0.961 225 D CB 0.504 40.825 40.800 -0.798 0.000 1.116 225 D HN 0.597 nan 8.370 nan 0.000 0.484 226 W N 2.054 123.302 121.300 -0.088 0.000 2.419 226 W HA 0.115 4.775 4.660 -0.001 0.000 0.312 226 W C 0.301 176.995 176.519 0.292 0.000 1.323 226 W CA -0.627 56.696 57.345 -0.037 0.000 1.293 226 W CB -0.075 29.377 29.460 -0.014 0.000 1.324 226 W HN 0.454 nan 8.180 nan 0.000 0.512 227 F N 0.770 120.887 119.950 0.279 0.000 2.794 227 F HA -0.244 4.283 4.527 -0.001 0.000 0.335 227 F C 1.559 177.517 175.800 0.263 0.000 0.653 227 F CA 0.747 58.926 58.000 0.298 0.000 1.266 227 F CB -1.776 37.474 39.000 0.416 0.000 1.666 227 F HN 0.513 nan 8.300 nan 0.000 0.314 228 G N 0.760 109.735 108.800 0.291 0.000 3.414 228 G HA2 0.370 4.330 3.960 -0.000 0.000 0.258 228 G HA3 0.370 4.330 3.960 -0.000 0.000 0.258 228 G C 0.169 174.702 174.900 -0.612 0.000 1.348 228 G CA 0.591 45.667 45.100 -0.040 0.000 1.319 228 G HN 0.256 nan 8.290 nan 0.000 0.555 229 T N -0.404 113.695 114.554 -0.759 0.000 2.855 229 T HA 0.457 4.807 4.350 -0.000 0.000 0.281 229 T C -0.274 173.519 174.700 -1.511 0.000 1.007 229 T CA -0.274 61.294 62.100 -0.886 0.000 1.009 229 T CB 1.652 70.245 68.868 -0.459 0.000 0.983 229 T HN 0.229 nan 8.240 nan 0.000 0.455 230 Y N 0.307 120.031 120.300 -0.960 0.000 2.540 230 Y HA 0.288 4.838 4.550 -0.000 0.000 0.257 230 Y C 1.270 176.326 175.900 -1.407 0.000 1.090 230 Y CA -0.607 56.823 58.100 -1.117 0.000 1.242 230 Y CB 0.646 38.710 38.460 -0.660 0.000 1.325 230 Y HN 0.774 nan 8.280 nan 0.000 0.544 231 T N -4.962 108.949 114.554 -1.071 0.000 2.816 231 T HA 0.381 4.731 4.350 -0.000 0.000 0.299 231 T C 0.431 175.073 174.700 -0.096 0.000 1.230 231 T CA -0.301 61.511 62.100 -0.481 0.000 1.007 231 T CB 2.084 70.871 68.868 -0.134 0.000 1.289 231 T HN -0.196 nan 8.240 nan 0.000 0.508 232 T N 0.524 115.222 114.554 0.241 0.000 2.818 232 T HA 0.267 4.617 4.350 -0.000 0.000 0.246 232 T C 2.288 177.056 174.700 0.112 0.000 1.036 232 T CA 1.099 63.353 62.100 0.257 0.000 1.160 232 T CB -0.708 68.323 68.868 0.272 0.000 0.869 232 T HN 0.804 nan 8.240 nan 0.000 0.419 233 A N 1.209 124.083 122.820 0.090 0.000 1.878 233 A HA 0.440 4.760 4.320 -0.000 0.000 0.213 233 A C 2.555 180.156 177.584 0.028 0.000 1.192 233 A CA 1.470 53.539 52.037 0.053 0.000 0.619 233 A CB -1.111 17.919 19.000 0.049 0.000 0.837 233 A HN 0.457 nan 8.150 nan 0.000 0.446 234 A N 0.225 123.057 122.820 0.019 0.000 1.883 234 A HA 0.104 4.424 4.320 -0.000 0.000 0.217 234 A C 2.505 180.088 177.584 -0.001 0.000 1.186 234 A CA 2.290 54.331 52.037 0.006 0.000 0.624 234 A CB -1.123 17.879 19.000 0.004 0.000 0.822 234 A HN 1.094 nan 8.150 nan 0.000 0.444 235 A N -0.342 122.467 122.820 -0.018 0.000 1.940 235 A HA -0.099 4.221 4.320 -0.000 0.000 0.219 235 A C 2.131 179.714 177.584 -0.002 0.000 1.176 235 A CA 1.601 53.625 52.037 -0.022 0.000 0.631 235 A CB -0.576 18.381 19.000 -0.073 0.000 0.814 235 A HN 0.525 nan 8.150 nan 0.000 0.446 236 I N -0.944 119.630 120.570 0.007 0.000 2.286 236 I HA -0.202 3.968 4.170 -0.000 0.000 0.245 236 I C 2.534 178.659 176.117 0.012 0.000 1.104 236 I CA 1.601 62.910 61.300 0.014 0.000 1.397 236 I CB -0.215 37.798 38.000 0.022 0.000 1.072 236 I HN 0.349 nan 8.210 nan 0.000 0.417 237 K N 0.856 121.262 120.400 0.011 0.000 2.148 237 K HA -0.151 4.169 4.320 -0.000 0.000 0.204 237 K C 1.260 177.865 176.600 0.008 0.000 1.050 237 K CA 1.376 57.668 56.287 0.009 0.000 0.942 237 K CB 0.096 32.600 32.500 0.007 0.000 0.724 237 K HN 0.257 nan 8.250 nan 0.000 0.446 238 N N -0.949 117.756 118.700 0.008 0.000 2.236 238 N HA 0.085 4.824 4.740 -0.000 0.000 0.196 238 N C 0.343 175.862 175.510 0.016 0.000 1.114 238 N CA 0.878 53.933 53.050 0.008 0.000 0.859 238 N CB 1.520 40.009 38.487 0.004 0.000 0.982 238 N HN 0.407 nan 8.380 nan 0.000 0.493 239 G N 0.338 109.150 108.800 0.021 0.000 2.164 239 G HA2 -0.187 3.772 3.960 -0.000 0.000 0.154 239 G HA3 -0.187 3.772 3.960 -0.000 0.000 0.154 239 G C -0.477 174.449 174.900 0.043 0.000 1.014 239 G CA -0.529 44.590 45.100 0.032 0.000 0.683 239 G HN 0.221 nan 8.290 nan 0.000 0.500 240 L N 1.906 123.148 121.223 0.032 0.000 2.342 240 L HA 0.511 4.851 4.340 -0.000 0.000 0.285 240 L C 1.062 177.951 176.870 0.032 0.000 1.095 240 L CA -0.052 54.809 54.840 0.034 0.000 0.843 240 L CB 0.415 42.480 42.059 0.010 0.000 1.201 240 L HN 0.137 nan 8.230 nan 0.000 0.445 241 D N 4.527 124.956 120.400 0.048 0.000 2.149 241 D HA 0.018 4.657 4.640 -0.000 0.000 0.201 241 D C 0.449 176.771 176.300 0.036 0.000 0.972 241 D CA 1.366 55.391 54.000 0.040 0.000 0.835 241 D CB 0.621 41.449 40.800 0.046 0.000 0.966 241 D HN 0.465 nan 8.370 nan 0.000 0.476 242 I N 0.277 120.879 120.570 0.054 0.000 2.692 242 I HA 0.100 4.269 4.170 -0.000 0.000 0.293 242 I C -1.237 174.897 176.117 0.029 0.000 1.200 242 I CA -0.718 60.604 61.300 0.037 0.000 1.036 242 I CB 2.816 40.872 38.000 0.093 0.000 1.258 242 I HN -0.303 nan 8.210 nan 0.000 0.421 243 E N 6.787 126.939 120.200 -0.081 0.000 2.200 243 E HA 0.374 4.723 4.350 -0.000 0.000 0.283 243 E C -1.900 174.496 176.600 -0.340 0.000 1.015 243 E CA -0.316 56.003 56.400 -0.136 0.000 0.819 243 E CB 0.991 30.628 29.700 -0.105 0.000 1.081 243 E HN 0.464 nan 8.360 nan 0.000 0.397 244 F N 4.930 124.532 119.950 -0.580 0.000 2.577 244 F HA 0.462 4.988 4.527 -0.001 0.000 0.318 244 F C -1.978 173.071 175.800 -1.251 0.000 1.065 244 F CA -1.893 55.459 58.000 -1.080 0.000 0.929 244 F CB 2.245 40.104 39.000 -1.902 0.000 1.237 244 F HN 0.418 nan 8.300 nan 0.000 0.468 245 P HA 0.283 nan 4.420 nan 0.000 0.279 245 P C -0.531 176.269 177.300 -0.833 0.000 1.276 245 P CA -0.278 62.009 63.100 -1.353 0.000 0.801 245 P CB 0.945 31.535 31.700 -1.849 0.000 1.127 246 G N 0.090 108.518 108.800 -0.620 0.000 2.562 246 G HA2 0.449 4.409 3.960 -0.000 0.000 0.275 246 G HA3 0.449 4.409 3.960 -0.000 0.000 0.275 246 G C -2.369 172.430 174.900 -0.167 0.000 1.196 246 G CA -1.394 43.503 45.100 -0.340 0.000 0.908 246 G HN 0.402 nan 8.290 nan 0.000 0.524 247 P HA 0.117 nan 4.420 nan 0.000 0.271 247 P C 0.413 177.650 177.300 -0.105 0.000 1.216 247 P CA -0.051 62.996 63.100 -0.087 0.000 0.776 247 P CB 0.727 32.405 31.700 -0.037 0.000 0.881 248 T N 2.208 116.687 114.554 -0.126 0.000 2.923 248 T HA -0.056 4.294 4.350 -0.000 0.000 0.304 248 T C 1.432 176.079 174.700 -0.088 0.000 1.044 248 T CA 0.479 62.514 62.100 -0.108 0.000 1.141 248 T CB -0.065 68.748 68.868 -0.092 0.000 1.023 248 T HN 0.388 nan 8.240 nan 0.000 0.533 249 R N 2.322 122.770 120.500 -0.087 0.000 2.103 249 R HA 0.175 4.515 4.340 -0.000 0.000 0.212 249 R C 1.604 177.664 176.300 -0.400 0.000 1.107 249 R CA 0.704 56.641 56.100 -0.271 0.000 1.025 249 R CB 0.093 30.151 30.300 -0.402 0.000 0.929 249 R HN 0.739 nan 8.270 nan 0.000 0.456 250 W N 0.129 121.412 121.300 -0.029 0.000 2.863 250 W HA 0.170 4.829 4.660 -0.000 0.000 0.258 250 W C 0.676 177.181 176.519 -0.024 0.000 1.298 250 W CA 0.011 57.344 57.345 -0.021 0.000 1.451 250 W CB 0.503 29.945 29.460 -0.030 0.000 1.107 250 W HN -0.204 nan 8.180 nan 0.000 0.641 251 R N 0.477 121.042 120.500 0.107 0.000 2.816 251 R HA 0.132 4.472 4.340 -0.000 0.000 0.382 251 R C 0.475 176.779 176.300 0.007 0.000 1.140 251 R CA -0.051 56.085 56.100 0.061 0.000 1.050 251 R CB -0.061 30.263 30.300 0.041 0.000 1.396 251 R HN -0.111 nan 8.270 nan 0.000 0.583 252 T N -2.319 112.228 114.554 -0.012 0.000 2.795 252 T HA 0.007 4.357 4.350 -0.000 0.000 0.314 252 T C 1.331 176.027 174.700 -0.007 0.000 1.069 252 T CA -0.468 61.617 62.100 -0.026 0.000 1.071 252 T CB 1.692 70.534 68.868 -0.043 0.000 0.988 252 T HN 0.304 nan 8.240 nan 0.000 0.543 253 R N 0.895 121.388 120.500 -0.012 0.000 2.103 253 R HA -0.137 4.203 4.340 -0.000 0.000 0.242 253 R C 2.494 178.801 176.300 0.012 0.000 1.142 253 R CA 1.649 57.749 56.100 -0.001 0.000 0.960 253 R CB -1.005 29.290 30.300 -0.007 0.000 0.858 253 R HN 0.848 nan 8.270 nan 0.000 0.439 254 A N 0.789 123.610 122.820 0.002 0.000 1.898 254 A HA -0.078 4.242 4.320 -0.000 0.000 0.216 254 A C 2.182 179.794 177.584 0.047 0.000 1.181 254 A CA 1.030 53.072 52.037 0.008 0.000 0.620 254 A CB -0.420 18.560 19.000 -0.033 0.000 0.819 254 A HN 0.333 nan 8.150 nan 0.000 0.442 255 L N -0.587 120.658 121.223 0.036 0.000 2.027 255 L HA -0.150 4.190 4.340 -0.000 0.000 0.206 255 L C 2.553 179.482 176.870 0.098 0.000 1.074 255 L CA 1.175 56.058 54.840 0.072 0.000 0.745 255 L CB -0.582 41.508 42.059 0.052 0.000 0.898 255 L HN 0.248 nan 8.230 nan 0.000 0.433 256 V N -0.256 119.699 119.914 0.069 0.000 2.307 256 V HA -0.240 3.880 4.120 -0.000 0.000 0.245 256 V C 2.675 178.804 176.094 0.058 0.000 1.045 256 V CA 1.979 64.316 62.300 0.061 0.000 1.024 256 V CB -0.579 31.268 31.823 0.041 0.000 0.651 256 V HN 0.609 nan 8.190 nan 0.000 0.449 257 S N -0.801 114.935 115.700 0.060 0.000 2.402 257 S HA -0.277 4.193 4.470 -0.000 0.000 0.229 257 S C 2.006 176.655 174.600 0.082 0.000 1.021 257 S CA 1.594 59.827 58.200 0.055 0.000 0.974 257 S CB -0.832 62.395 63.200 0.045 0.000 0.800 257 S HN 0.753 nan 8.310 nan 0.000 0.484 258 H N 1.351 120.426 119.070 0.008 0.000 2.353 258 H HA -0.014 4.542 4.556 -0.000 0.000 0.300 258 H C 2.021 177.357 175.328 0.014 0.000 1.090 258 H CA 1.590 57.643 56.048 0.009 0.000 1.327 258 H CB -0.185 29.582 29.762 0.008 0.000 1.383 258 H HN 0.486 nan 8.280 nan 0.000 0.508 259 S N 0.729 116.423 115.700 -0.009 0.000 2.359 259 S HA -0.137 4.333 4.470 -0.000 0.000 0.224 259 S C 2.443 177.006 174.600 -0.063 0.000 1.035 259 S CA 1.109 59.279 58.200 -0.051 0.000 1.018 259 S CB -0.287 62.926 63.200 0.021 0.000 0.876 259 S HN 0.313 nan 8.310 nan 0.000 0.448 260 L N 1.716 122.923 121.223 -0.026 0.000 1.994 260 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 260 L C 2.117 178.960 176.870 -0.044 0.000 1.071 260 L CA 1.085 55.910 54.840 -0.024 0.000 0.745 260 L CB -0.675 41.381 42.059 -0.004 0.000 0.892 260 L HN 0.271 nan 8.230 nan 0.000 0.431 261 N N -0.593 118.076 118.700 -0.053 0.000 2.381 261 N HA -0.093 4.646 4.740 -0.000 0.000 0.182 261 N C 1.543 176.995 175.510 -0.097 0.000 1.025 261 N CA 1.038 54.055 53.050 -0.054 0.000 0.888 261 N CB -0.054 38.423 38.487 -0.017 0.000 0.965 261 N HN 0.213 nan 8.380 nan 0.000 0.438 262 S N 0.180 115.773 115.700 -0.179 0.000 2.577 262 S HA 0.209 4.679 4.470 -0.000 0.000 0.219 262 S C 0.261 174.797 174.600 -0.107 0.000 0.962 262 S CA -0.412 57.676 58.200 -0.185 0.000 0.921 262 S CB 0.467 63.456 63.200 -0.352 0.000 0.789 262 S HN 0.237 nan 8.310 nan 0.000 0.497 263 R N 1.215 121.670 120.500 -0.076 0.000 3.405 263 R HA -0.174 4.166 4.340 -0.000 0.000 0.258 263 R C -0.599 175.676 176.300 -0.042 0.000 1.030 263 R CA 0.460 56.532 56.100 -0.046 0.000 0.691 263 R CB -1.545 28.735 30.300 -0.033 0.000 1.093 263 R HN 0.287 nan 8.270 nan 0.000 0.448 264 E N 1.249 121.418 120.200 -0.053 0.000 1.936 264 E HA 0.097 4.447 4.350 -0.000 0.000 0.267 264 E C 0.460 177.054 176.600 -0.011 0.000 1.076 264 E CA 0.081 56.463 56.400 -0.031 0.000 0.870 264 E CB 0.272 29.950 29.700 -0.037 0.000 1.093 264 E HN 0.269 nan 8.360 nan 0.000 0.411 265 Q N 1.048 120.844 119.800 -0.006 0.000 2.858 265 Q HA -0.295 4.045 4.340 -0.000 0.000 0.191 265 Q C 0.466 176.467 176.000 0.002 0.000 2.796 265 Q CA 2.092 57.896 55.803 0.002 0.000 0.359 265 Q CB -1.837 26.908 28.738 0.011 0.000 0.330 265 Q HN 0.714 nan 8.270 nan 0.000 0.511 266 I N -0.648 119.923 120.570 0.002 0.000 2.822 266 I HA 0.739 4.908 4.170 -0.000 0.000 0.312 266 I C 0.354 176.470 176.117 -0.001 0.000 1.011 266 I CA -0.321 60.981 61.300 0.004 0.000 1.105 266 I CB 1.890 39.897 38.000 0.011 0.000 1.291 266 I HN 0.141 nan 8.210 nan 0.000 0.474 267 T N -1.934 112.620 114.554 0.000 0.000 2.910 267 T HA 0.327 4.677 4.350 -0.000 0.000 0.287 267 T C 0.979 175.680 174.700 0.000 0.000 1.050 267 T CA 0.019 62.118 62.100 -0.002 0.000 1.011 267 T CB 1.396 70.263 68.868 -0.002 0.000 1.195 267 T HN 0.834 nan 8.240 nan 0.000 0.540 268 T N -2.062 112.491 114.554 -0.001 0.000 2.881 268 T HA -0.106 4.244 4.350 -0.000 0.000 0.270 268 T C 1.512 176.212 174.700 0.001 0.000 1.068 268 T CA 1.430 63.530 62.100 0.001 0.000 1.131 268 T CB -0.576 68.291 68.868 -0.001 0.000 0.871 268 T HN 0.779 nan 8.240 nan 0.000 0.479 269 E N 1.174 121.375 120.200 0.000 0.000 2.077 269 E HA -0.205 4.144 4.350 -0.000 0.000 0.193 269 E C 1.663 178.265 176.600 0.003 0.000 0.989 269 E CA 1.408 57.808 56.400 0.001 0.000 0.800 269 E CB -0.168 29.532 29.700 0.000 0.000 0.746 269 E HN 0.479 nan 8.360 nan 0.000 0.452 270 D N 0.153 120.556 120.400 0.004 0.000 2.104 270 D HA -0.165 4.475 4.640 -0.000 0.000 0.194 270 D C 2.094 178.398 176.300 0.007 0.000 0.994 270 D CA 1.241 55.244 54.000 0.006 0.000 0.830 270 D CB -0.286 40.518 40.800 0.007 0.000 0.959 270 D HN 0.127 nan 8.370 nan 0.000 0.452 271 V N 1.671 121.589 119.914 0.007 0.000 2.261 271 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 271 V C 1.971 178.069 176.094 0.007 0.000 1.047 271 V CA 1.832 64.137 62.300 0.008 0.000 1.015 271 V CB -0.480 31.347 31.823 0.008 0.000 0.642 271 V HN 0.043 nan 8.190 nan 0.000 0.446 272 D N 0.091 120.494 120.400 0.005 0.000 2.123 272 D HA -0.177 4.463 4.640 -0.000 0.000 0.196 272 D C 1.921 178.223 176.300 0.004 0.000 0.992 272 D CA 1.488 55.490 54.000 0.004 0.000 0.833 272 D CB -0.441 40.359 40.800 0.001 0.000 0.954 272 D HN 0.421 nan 8.370 nan 0.000 0.455 273 D N 0.100 120.502 120.400 0.004 0.000 2.123 273 D HA -0.121 4.519 4.640 -0.000 0.000 0.196 273 D C 2.181 178.483 176.300 0.003 0.000 0.992 273 D CA 0.765 54.766 54.000 0.002 0.000 0.833 273 D CB 0.012 40.814 40.800 0.003 0.000 0.954 273 D HN 0.138 nan 8.370 nan 0.000 0.455 274 R N 0.434 120.938 120.500 0.007 0.000 2.062 274 R HA -0.005 4.334 4.340 -0.000 0.000 0.229 274 R C 2.499 178.807 176.300 0.013 0.000 1.128 274 R CA 0.365 56.471 56.100 0.011 0.000 0.960 274 R CB -1.106 29.202 30.300 0.013 0.000 0.855 274 R HN 0.178 nan 8.270 nan 0.000 0.432 275 V N 1.660 121.582 119.914 0.014 0.000 2.332 275 V HA -0.244 3.875 4.120 -0.000 0.000 0.248 275 V C 2.682 178.793 176.094 0.027 0.000 1.055 275 V CA 1.924 64.237 62.300 0.021 0.000 1.038 275 V CB -0.623 31.210 31.823 0.017 0.000 0.651 275 V HN 0.315 nan 8.190 nan 0.000 0.450 276 R N -0.401 120.109 120.500 0.017 0.000 2.117 276 R HA -0.222 4.118 4.340 -0.000 0.000 0.243 276 R C 2.375 178.682 176.300 0.011 0.000 1.143 276 R CA 1.664 57.775 56.100 0.018 0.000 0.968 276 R CB -0.092 30.210 30.300 0.005 0.000 0.863 276 R HN 0.484 nan 8.270 nan 0.000 0.444 277 Q N -0.239 119.556 119.800 -0.008 0.000 2.096 277 Q HA -0.051 4.289 4.340 -0.000 0.000 0.197 277 Q C 2.256 178.248 176.000 -0.013 0.000 0.964 277 Q CA 1.137 56.916 55.803 -0.040 0.000 0.838 277 Q CB -0.240 28.465 28.738 -0.056 0.000 0.906 277 Q HN 0.231 nan 8.270 nan 0.000 0.444 278 V N 1.456 121.382 119.914 0.020 0.000 2.332 278 V HA -0.251 3.868 4.120 -0.000 0.000 0.248 278 V C 2.407 178.542 176.094 0.068 0.000 1.055 278 V CA 1.476 63.804 62.300 0.045 0.000 1.038 278 V CB -0.703 31.152 31.823 0.053 0.000 0.651 278 V HN 0.251 nan 8.190 nan 0.000 0.450 279 L N -0.921 120.363 121.223 0.101 0.000 2.141 279 L HA -0.103 4.237 4.340 -0.000 0.000 0.209 279 L C 1.579 178.551 176.870 0.170 0.000 1.094 279 L CA 1.154 56.120 54.840 0.210 0.000 0.763 279 L CB -0.448 41.748 42.059 0.229 0.000 0.908 279 L HN 0.290 nan 8.230 nan 0.000 0.437 283 K N 1.841 121.818 120.400 -0.705 0.000 2.044 283 K HA -0.210 4.110 4.320 -0.000 0.000 0.210 283 K C 2.108 178.586 176.600 -0.204 0.000 1.049 283 K CA 2.345 58.291 56.287 -0.568 0.000 0.927 283 K CB -0.157 32.321 32.500 -0.038 0.000 0.713 283 K HN 0.275 nan 8.250 nan 0.000 0.443 284 F N 1.014 120.849 119.950 -0.193 0.000 2.095 284 F HA -0.223 4.303 4.527 -0.000 0.000 0.298 284 F C 1.810 177.538 175.800 -0.120 0.000 1.104 284 F CA 1.480 59.410 58.000 -0.116 0.000 1.232 284 F CB -0.284 38.669 39.000 -0.080 0.000 0.987 284 F HN -0.170 nan 8.300 nan 0.000 0.475 285 V N -0.251 119.707 119.914 0.073 0.000 2.295 285 V HA -0.310 3.810 4.120 -0.000 0.000 0.246 285 V C 2.349 178.352 176.094 -0.151 0.000 1.049 285 V CA 1.764 64.052 62.300 -0.020 0.000 1.024 285 V CB -0.759 31.083 31.823 0.031 0.000 0.648 285 V HN 0.307 nan 8.190 nan 0.000 0.447 286 V N 0.044 119.829 119.914 -0.215 0.000 2.307 286 V HA -0.229 3.891 4.120 -0.000 0.000 0.245 286 V C 2.241 178.258 176.094 -0.129 0.000 1.045 286 V CA 2.096 64.295 62.300 -0.167 0.000 1.024 286 V CB -0.757 30.936 31.823 -0.217 0.000 0.651 286 V HN 0.525 nan 8.190 nan 0.000 0.449 287 D N 0.355 120.660 120.400 -0.159 0.000 2.228 287 D HA -0.144 4.495 4.640 -0.000 0.000 0.203 287 D C 1.778 177.962 176.300 -0.193 0.000 0.988 287 D CA 1.076 54.990 54.000 -0.143 0.000 0.864 287 D CB -0.303 40.411 40.800 -0.144 0.000 0.928 287 D HN 0.424 nan 8.370 nan 0.000 0.469 288 N N -0.221 118.315 118.700 -0.274 0.000 2.280 288 N HA 0.093 4.833 4.740 -0.000 0.000 0.192 288 N C 1.695 177.114 175.510 -0.151 0.000 1.109 288 N CA -0.113 52.774 53.050 -0.272 0.000 0.855 288 N CB 0.632 38.842 38.487 -0.462 0.000 0.974 288 N HN 0.235 nan 8.380 nan 0.000 0.482 289 L N 0.929 122.088 121.223 -0.108 0.000 2.127 289 L HA -0.141 4.199 4.340 -0.000 0.000 0.211 289 L C 2.294 179.138 176.870 -0.042 0.000 1.089 289 L CA 1.237 56.042 54.840 -0.057 0.000 0.757 289 L CB -0.138 41.901 42.059 -0.034 0.000 0.899 289 L HN 0.191 nan 8.230 nan 0.000 0.434 290 E N 0.200 120.372 120.200 -0.048 0.000 2.028 290 E HA -0.264 4.086 4.350 -0.000 0.000 0.191 290 E C 2.190 178.769 176.600 -0.035 0.000 0.988 290 E CA 1.128 57.508 56.400 -0.033 0.000 0.799 290 E CB 0.108 29.789 29.700 -0.032 0.000 0.755 290 E HN 0.281 nan 8.360 nan 0.000 0.447 291 K N 0.076 120.446 120.400 -0.051 0.000 2.063 291 K HA -0.158 4.162 4.320 -0.000 0.000 0.208 291 K C 2.112 178.692 176.600 -0.033 0.000 1.048 291 K CA 2.074 58.334 56.287 -0.045 0.000 0.928 291 K CB -0.101 32.360 32.500 -0.066 0.000 0.713 291 K HN 0.192 nan 8.250 nan 0.000 0.442 292 T N -3.926 110.606 114.554 -0.037 0.000 3.009 292 T HA 0.164 4.514 4.350 -0.000 0.000 0.258 292 T C 1.437 176.133 174.700 -0.006 0.000 1.063 292 T CA 0.585 62.675 62.100 -0.017 0.000 1.139 292 T CB -0.012 68.847 68.868 -0.015 0.000 0.890 292 T HN 0.393 nan 8.240 nan 0.000 0.471 293 G N 1.525 110.319 108.800 -0.009 0.000 2.160 293 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.251 293 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.251 293 G C 0.030 174.935 174.900 0.009 0.000 1.008 293 G CA 0.116 45.216 45.100 0.000 0.000 0.724 293 G HN 0.683 nan 8.290 nan 0.000 0.514 294 I N 0.659 121.235 120.570 0.009 0.000 2.618 294 I HA 0.211 4.381 4.170 -0.000 0.000 0.284 294 I C 0.894 177.027 176.117 0.027 0.000 1.146 294 I CA -0.013 61.300 61.300 0.022 0.000 1.425 294 I CB 1.032 39.049 38.000 0.028 0.000 1.383 294 I HN -0.054 nan 8.210 nan 0.000 0.562 295 V N 7.257 127.192 119.914 0.035 0.000 2.407 295 V HA 0.115 4.235 4.120 -0.000 0.000 0.278 295 V C 0.435 176.560 176.094 0.052 0.000 1.037 295 V CA -0.697 61.626 62.300 0.037 0.000 0.900 295 V CB 1.315 33.157 31.823 0.032 0.000 0.983 295 V HN 0.708 nan 8.190 nan 0.000 0.459 296 E N 4.399 124.630 120.200 0.052 0.000 2.465 296 E HA -0.054 4.295 4.350 -0.000 0.000 0.260 296 E C 0.604 177.242 176.600 0.063 0.000 0.980 296 E CA 0.419 56.860 56.400 0.067 0.000 0.927 296 E CB -0.128 29.607 29.700 0.058 0.000 0.934 296 E HN 0.781 nan 8.360 nan 0.000 0.459 297 N N 1.912 120.666 118.700 0.090 0.000 2.678 297 N HA -0.223 4.516 4.740 -0.000 0.000 0.249 297 N C 0.075 175.619 175.510 0.056 0.000 1.119 297 N CA 0.327 53.407 53.050 0.050 0.000 0.718 297 N CB -0.810 37.661 38.487 -0.025 0.000 1.060 297 N HN 0.609 nan 8.380 nan 0.000 0.552 298 G N 0.576 109.421 108.800 0.075 0.000 2.667 298 G HA2 0.329 4.289 3.960 -0.000 0.000 0.250 298 G HA3 0.329 4.289 3.960 -0.000 0.000 0.250 298 G C -1.738 173.195 174.900 0.055 0.000 1.212 298 G CA -0.669 44.464 45.100 0.055 0.000 0.874 298 G HN 0.052 nan 8.290 nan 0.000 0.561 299 P HA 0.189 nan 4.420 nan 0.000 0.272 299 P C -0.644 176.678 177.300 0.037 0.000 1.230 299 P CA -0.062 63.060 63.100 0.036 0.000 0.788 299 P CB 1.217 32.934 31.700 0.028 0.000 0.949 300 E N 0.151 120.370 120.200 0.033 0.000 2.166 300 E HA 0.418 4.768 4.350 -0.000 0.000 0.275 300 E C -0.154 176.463 176.600 0.028 0.000 0.941 300 E CA -0.570 55.845 56.400 0.025 0.000 0.784 300 E CB 1.363 31.071 29.700 0.013 0.000 1.115 300 E HN 0.466 nan 8.360 nan 0.000 0.399 301 S N 0.239 115.960 115.700 0.034 0.000 2.704 301 S HA 0.391 4.861 4.470 -0.000 0.000 0.296 301 S C 0.416 175.059 174.600 0.072 0.000 1.138 301 S CA -0.706 57.519 58.200 0.042 0.000 0.875 301 S CB 1.504 64.723 63.200 0.032 0.000 1.151 301 S HN 0.476 nan 8.310 nan 0.000 0.500 302 T N -1.680 112.918 114.554 0.073 0.000 3.251 302 T HA 0.207 4.557 4.350 -0.000 0.000 0.259 302 T C 1.420 176.118 174.700 -0.004 0.000 0.998 302 T CA 0.239 62.404 62.100 0.108 0.000 0.905 302 T CB -0.797 68.120 68.868 0.082 0.000 1.067 302 T HN 0.775 nan 8.240 nan 0.000 0.569 303 S N 1.344 117.054 115.700 0.016 0.000 2.442 303 S HA -0.115 4.355 4.470 -0.000 0.000 0.236 303 S C 1.680 176.267 174.600 -0.021 0.000 1.007 303 S CA 0.958 59.151 58.200 -0.011 0.000 0.965 303 S CB -0.697 62.507 63.200 0.007 0.000 0.773 303 S HN 0.525 nan 8.310 nan 0.000 0.504 304 N N 2.025 120.736 118.700 0.018 0.000 2.398 304 N HA 0.098 4.837 4.740 -0.000 0.000 0.188 304 N C -0.029 175.450 175.510 -0.051 0.000 1.122 304 N CA -0.067 53.003 53.050 0.034 0.000 0.866 304 N CB -0.446 38.109 38.487 0.112 0.000 0.970 304 N HN 0.367 nan 8.380 nan 0.000 0.462 305 N N 0.742 119.253 118.700 -0.315 0.000 2.671 305 N HA 0.004 4.744 4.740 -0.000 0.000 0.274 305 N C -1.046 174.302 175.510 -0.271 0.000 1.188 305 N CA 0.082 52.737 53.050 -0.659 0.000 1.065 305 N CB -0.317 37.401 38.487 -1.282 0.000 1.415 305 N HN 0.203 nan 8.380 nan 0.000 0.511 306 T N -1.180 113.299 114.554 -0.125 0.000 2.907 306 T HA 0.306 4.656 4.350 -0.000 0.000 0.290 306 T C 1.101 175.788 174.700 -0.022 0.000 1.066 306 T CA -0.916 61.146 62.100 -0.063 0.000 1.012 306 T CB 1.725 70.571 68.868 -0.037 0.000 1.184 306 T HN 0.244 nan 8.240 nan 0.000 0.522 307 K N 0.400 120.788 120.400 -0.019 0.000 2.074 307 K HA -0.197 4.123 4.320 -0.000 0.000 0.209 307 K C 2.008 178.611 176.600 0.006 0.000 1.048 307 K CA 1.951 58.234 56.287 -0.006 0.000 0.926 307 K CB -0.209 32.282 32.500 -0.015 0.000 0.713 307 K HN 0.747 nan 8.250 nan 0.000 0.444 308 E N -0.468 119.734 120.200 0.003 0.000 2.058 308 E HA -0.179 4.171 4.350 -0.000 0.000 0.194 308 E C 1.691 178.300 176.600 0.015 0.000 0.997 308 E CA 1.853 58.258 56.400 0.009 0.000 0.801 308 E CB -0.004 29.701 29.700 0.008 0.000 0.746 308 E HN 0.422 nan 8.360 nan 0.000 0.450 309 T N 0.006 114.571 114.554 0.019 0.000 2.737 309 T HA -0.104 4.246 4.350 -0.000 0.000 0.265 309 T C 2.074 176.781 174.700 0.012 0.000 1.038 309 T CA 1.263 63.374 62.100 0.020 0.000 1.144 309 T CB -0.224 68.673 68.868 0.048 0.000 0.866 309 T HN 0.073 nan 8.240 nan 0.000 0.434 310 S N 1.355 117.089 115.700 0.057 0.000 2.365 310 S HA -0.166 4.304 4.470 -0.000 0.000 0.225 310 S C 1.863 176.495 174.600 0.053 0.000 1.039 310 S CA 1.341 59.602 58.200 0.101 0.000 1.033 310 S CB -0.470 62.810 63.200 0.133 0.000 0.887 310 S HN 0.469 nan 8.310 nan 0.000 0.447 311 D N 0.665 121.084 120.400 0.032 0.000 2.149 311 D HA -0.005 4.635 4.640 -0.000 0.000 0.201 311 D C 1.876 178.185 176.300 0.016 0.000 0.972 311 D CA 0.459 54.473 54.000 0.024 0.000 0.835 311 D CB -0.336 40.474 40.800 0.016 0.000 0.966 311 D HN 0.204 nan 8.370 nan 0.000 0.476 312 L N 0.767 121.994 121.223 0.007 0.000 2.072 312 L HA -0.036 4.304 4.340 -0.000 0.000 0.205 312 L C 2.171 179.026 176.870 -0.024 0.000 1.079 312 L CA 1.240 56.082 54.840 0.003 0.000 0.752 312 L CB -0.634 41.432 42.059 0.013 0.000 0.906 312 L HN -0.018 nan 8.230 nan 0.000 0.436 313 L N -0.673 120.499 121.223 -0.085 0.000 2.042 313 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 313 L C 2.784 179.631 176.870 -0.037 0.000 1.076 313 L CA 1.647 56.400 54.840 -0.145 0.000 0.749 313 L CB -0.565 41.354 42.059 -0.235 0.000 0.893 313 L HN 0.326 nan 8.230 nan 0.000 0.432 314 R N 0.589 121.094 120.500 0.007 0.000 2.075 314 R HA -0.199 4.141 4.340 -0.000 0.000 0.232 314 R C 2.424 178.748 176.300 0.041 0.000 1.126 314 R CA 1.530 57.652 56.100 0.038 0.000 0.963 314 R CB -0.091 30.238 30.300 0.048 0.000 0.858 314 R HN 0.193 nan 8.270 nan 0.000 0.435 315 K N 0.524 120.944 120.400 0.033 0.000 2.057 315 K HA -0.140 4.180 4.320 -0.000 0.000 0.207 315 K C 2.019 178.648 176.600 0.049 0.000 1.049 315 K CA 1.651 57.961 56.287 0.039 0.000 0.931 315 K CB -0.103 32.416 32.500 0.031 0.000 0.714 315 K HN 0.226 nan 8.250 nan 0.000 0.440 316 I N 0.978 121.579 120.570 0.052 0.000 2.252 316 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 316 I C 2.515 178.683 176.117 0.086 0.000 1.102 316 I CA 1.134 62.480 61.300 0.076 0.000 1.385 316 I CB -0.337 37.727 38.000 0.108 0.000 1.064 316 I HN 0.218 nan 8.210 nan 0.000 0.414 317 A N 0.776 123.644 122.820 0.081 0.000 1.902 317 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 317 A C 2.536 180.184 177.584 0.107 0.000 1.181 317 A CA 1.890 53.990 52.037 0.105 0.000 0.623 317 A CB -0.836 18.222 19.000 0.097 0.000 0.818 317 A HN 0.431 nan 8.150 nan 0.000 0.443 318 A N -0.256 122.613 122.820 0.082 0.000 1.933 318 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 318 A C 1.643 179.265 177.584 0.063 0.000 1.175 318 A CA 1.868 53.947 52.037 0.070 0.000 0.628 318 A CB -0.485 18.549 19.000 0.057 0.000 0.814 318 A HN 0.420 nan 8.150 nan 0.000 0.444 319 D N -0.671 119.767 120.400 0.065 0.000 2.347 319 D HA 0.050 4.689 4.640 -0.000 0.000 0.213 319 D C 1.885 178.232 176.300 0.079 0.000 0.985 319 D CA 0.819 54.852 54.000 0.056 0.000 0.879 319 D CB 0.072 40.904 40.800 0.053 0.000 0.919 319 D HN 0.334 nan 8.370 nan 0.000 0.526 320 S N -0.058 115.709 115.700 0.112 0.000 2.436 320 S HA 0.084 4.554 4.470 -0.000 0.000 0.228 320 S C 1.080 175.863 174.600 0.305 0.000 1.014 320 S CA -0.046 58.247 58.200 0.154 0.000 0.950 320 S CB 0.345 63.634 63.200 0.147 0.000 0.784 320 S HN 0.234 nan 8.310 nan 0.000 0.504 321 I N 2.360 123.060 120.570 0.217 0.000 2.648 321 I HA 0.049 4.219 4.170 -0.000 0.000 0.284 321 I C -0.527 175.640 176.117 0.084 0.000 1.153 321 I CA -0.076 61.321 61.300 0.163 0.000 1.426 321 I CB 0.661 38.695 38.000 0.057 0.000 1.381 321 I HN -0.091 nan 8.210 nan 0.000 0.571 322 V N 7.426 127.349 119.914 0.014 0.000 2.384 322 V HA 0.231 4.350 4.120 -0.000 0.000 0.287 322 V C -0.167 175.803 176.094 -0.206 0.000 1.020 322 V CA -0.735 61.518 62.300 -0.078 0.000 0.850 322 V CB 1.616 33.425 31.823 -0.023 0.000 0.987 322 V HN 0.396 nan 8.190 nan 0.000 0.436 323 L N 5.883 126.972 121.223 -0.223 0.000 2.278 323 L HA 0.395 4.735 4.340 -0.000 0.000 0.287 323 L C 0.540 177.254 176.870 -0.259 0.000 1.072 323 L CA 0.643 55.341 54.840 -0.238 0.000 0.819 323 L CB 0.537 42.452 42.059 -0.241 0.000 1.176 323 L HN 0.614 nan 8.230 nan 0.000 0.435 324 L N 3.700 124.729 121.223 -0.323 0.000 2.316 324 L HA 0.277 4.617 4.340 -0.000 0.000 0.207 324 L C 0.564 177.367 176.870 -0.112 0.000 1.070 324 L CA 0.348 54.930 54.840 -0.431 0.000 0.820 324 L CB -0.114 41.281 42.059 -1.107 0.000 0.992 324 L HN 0.559 nan 8.230 nan 0.000 0.466 325 K N 0.196 120.549 120.400 -0.077 0.000 2.523 325 K HA 0.360 4.679 4.320 -0.000 0.000 0.257 325 K C -1.225 175.380 176.600 0.010 0.000 0.932 325 K CA -0.592 55.723 56.287 0.048 0.000 0.812 325 K CB 2.252 34.803 32.500 0.086 0.000 1.326 325 K HN -0.252 nan 8.250 nan 0.000 0.433 326 N N 2.197 120.919 118.700 0.036 0.000 2.824 326 N HA 0.062 4.802 4.740 -0.000 0.000 0.224 326 N C -1.555 173.969 175.510 0.023 0.000 1.418 326 N CA -0.361 52.702 53.050 0.023 0.000 0.743 326 N CB 0.616 39.132 38.487 0.048 0.000 1.395 326 N HN 0.366 nan 8.380 nan 0.000 0.548 327 K N 1.329 121.740 120.400 0.018 0.000 2.154 327 K HA 0.313 4.633 4.320 -0.000 0.000 0.264 327 K C 0.201 176.800 176.600 -0.002 0.000 1.008 327 K CA -0.458 55.839 56.287 0.015 0.000 0.937 327 K CB 0.443 32.954 32.500 0.019 0.000 1.002 327 K HN 0.433 nan 8.250 nan 0.000 0.469 328 N N 1.015 119.714 118.700 -0.002 0.000 2.776 328 N HA -0.195 4.544 4.740 -0.000 0.000 0.250 328 N C -0.970 174.526 175.510 -0.024 0.000 1.112 328 N CA 0.911 53.955 53.050 -0.011 0.000 0.733 328 N CB -1.954 36.526 38.487 -0.013 0.000 1.097 328 N HN 0.852 nan 8.380 nan 0.000 0.558 329 N N -0.499 118.184 118.700 -0.028 0.000 2.701 329 N HA -0.243 4.496 4.740 -0.000 0.000 0.252 329 N C 1.166 176.627 175.510 -0.081 0.000 1.002 329 N CA 0.942 53.958 53.050 -0.056 0.000 0.758 329 N CB -0.986 37.472 38.487 -0.049 0.000 0.937 329 N HN 0.581 nan 8.380 nan 0.000 0.538 330 I N -0.713 119.815 120.570 -0.069 0.000 2.208 330 I HA -0.217 3.952 4.170 -0.000 0.000 0.245 330 I C 1.017 177.056 176.117 -0.130 0.000 1.097 330 I CA 1.218 62.469 61.300 -0.081 0.000 1.363 330 I CB -0.029 37.933 38.000 -0.064 0.000 1.051 330 I HN 0.236 nan 8.210 nan 0.000 0.413 331 L N 1.421 122.547 121.223 -0.162 0.000 2.331 331 L HA 0.387 4.727 4.340 -0.000 0.000 0.275 331 L C -2.261 174.261 176.870 -0.580 0.000 1.022 331 L CA -2.031 52.640 54.840 -0.280 0.000 0.812 331 L CB 1.281 43.275 42.059 -0.108 0.000 1.257 331 L HN -0.189 nan 8.230 nan 0.000 0.435 332 P HA 0.065 nan 4.420 nan 0.000 0.271 332 P C -0.663 176.446 177.300 -0.319 0.000 1.218 332 P CA -0.589 62.173 63.100 -0.564 0.000 0.780 332 P CB 0.770 32.174 31.700 -0.492 0.000 0.901 333 L N 2.946 123.946 121.223 -0.372 0.000 2.483 333 L HA 0.083 4.423 4.340 -0.000 0.000 0.275 333 L C 1.221 178.015 176.870 -0.128 0.000 1.220 333 L CA 0.717 55.350 54.840 -0.344 0.000 0.833 333 L CB -0.562 41.025 42.059 -0.787 0.000 1.102 333 L HN 0.338 nan 8.230 nan 0.000 0.490 334 K N 3.004 123.420 120.400 0.026 0.000 2.098 334 K HA 0.244 4.563 4.320 -0.000 0.000 0.258 334 K C 0.766 177.531 176.600 0.275 0.000 0.973 334 K CA -0.667 55.707 56.287 0.145 0.000 0.898 334 K CB 0.921 33.465 32.500 0.073 0.000 1.057 334 K HN 0.366 nan 8.250 nan 0.000 0.447 335 K N 1.201 121.745 120.400 0.240 0.000 2.280 335 K HA -0.153 4.166 4.320 -0.000 0.000 0.202 335 K C 0.796 177.444 176.600 0.081 0.000 1.047 335 K CA 1.415 57.774 56.287 0.120 0.000 0.942 335 K CB 0.189 32.682 32.500 -0.012 0.000 0.739 335 K HN 0.434 nan 8.250 nan 0.000 0.457 336 E N 0.798 121.042 120.200 0.075 0.000 2.481 336 E HA -0.014 4.336 4.350 -0.000 0.000 0.195 336 E C -0.396 176.242 176.600 0.063 0.000 1.047 336 E CA 0.300 56.731 56.400 0.052 0.000 0.867 336 E CB 0.013 29.733 29.700 0.034 0.000 0.858 336 E HN 0.166 nan 8.360 nan 0.000 0.513 337 D N 1.360 121.812 120.400 0.086 0.000 2.488 337 D HA -0.060 4.580 4.640 -0.000 0.000 0.238 337 D C 0.053 176.406 176.300 0.088 0.000 1.138 337 D CA 0.173 54.218 54.000 0.075 0.000 0.873 337 D CB 0.309 41.149 40.800 0.066 0.000 1.183 337 D HN 0.002 nan 8.370 nan 0.000 0.458 338 N N 2.208 120.957 118.700 0.083 0.000 2.420 338 N HA 0.248 4.988 4.740 -0.000 0.000 0.262 338 N C -0.720 174.893 175.510 0.172 0.000 1.144 338 N CA -0.219 52.903 53.050 0.120 0.000 0.952 338 N CB 0.095 38.633 38.487 0.084 0.000 1.081 338 N HN 0.408 nan 8.380 nan 0.000 0.480 339 I N 0.403 121.084 120.570 0.184 0.000 2.969 339 I HA 0.608 4.777 4.170 -0.000 0.000 0.307 339 I C -1.079 175.006 176.117 -0.052 0.000 1.149 339 I CA -1.257 60.099 61.300 0.093 0.000 1.008 339 I CB 1.917 39.958 38.000 0.069 0.000 1.232 339 I HN 0.395 nan 8.210 nan 0.000 0.435 340 I N 3.834 124.238 120.570 -0.277 0.000 2.569 340 I HA 0.595 4.764 4.170 -0.000 0.000 0.296 340 I C -1.160 174.908 176.117 -0.082 0.000 1.028 340 I CA -0.986 60.114 61.300 -0.332 0.000 1.082 340 I CB 2.068 39.625 38.000 -0.737 0.000 1.264 340 I HN 0.457 nan 8.210 nan 0.000 0.429 341 V N 7.932 127.888 119.914 0.069 0.000 2.427 341 V HA 0.498 4.618 4.120 -0.000 0.000 0.286 341 V C 0.010 176.175 176.094 0.118 0.000 1.034 341 V CA -0.296 62.103 62.300 0.166 0.000 0.893 341 V CB 1.409 33.463 31.823 0.386 0.000 0.982 341 V HN 0.474 nan 8.190 nan 0.000 0.452 342 I N 3.167 123.764 120.570 0.044 0.000 2.769 342 I HA 0.908 5.078 4.170 -0.000 0.000 0.298 342 I C 0.249 176.375 176.117 0.014 0.000 1.128 342 I CA -0.533 60.730 61.300 -0.062 0.000 1.031 342 I CB 2.369 40.301 38.000 -0.114 0.000 1.235 342 I HN 0.848 nan 8.210 nan 0.000 0.423 343 G N 4.821 113.625 108.800 0.006 0.000 2.375 343 G HA2 0.013 3.972 3.960 -0.000 0.000 0.663 343 G HA3 0.013 3.972 3.960 -0.000 0.000 0.663 343 G C -2.824 172.162 174.900 0.143 0.000 1.391 343 G CA -0.750 44.385 45.100 0.059 0.000 0.949 343 G HN 0.374 nan 8.290 nan 0.000 0.646 344 P HA -0.068 nan 4.420 nan 0.000 0.220 344 P C 1.013 178.443 177.300 0.217 0.000 1.148 344 P CA 1.107 64.341 63.100 0.222 0.000 0.803 344 P CB 0.165 31.999 31.700 0.223 0.000 0.782 345 N N -0.598 118.218 118.700 0.193 0.000 2.336 345 N HA 0.121 4.861 4.740 -0.000 0.000 0.189 345 N C 1.641 177.260 175.510 0.180 0.000 1.113 345 N CA 0.465 53.628 53.050 0.188 0.000 0.858 345 N CB -0.571 38.031 38.487 0.192 0.000 0.970 345 N HN 0.050 nan 8.380 nan 0.000 0.471 346 A N 1.089 124.029 122.820 0.200 0.000 1.877 346 A HA -0.080 4.240 4.320 -0.000 0.000 0.216 346 A C 1.736 179.429 177.584 0.182 0.000 1.186 346 A CA 1.332 53.504 52.037 0.225 0.000 0.620 346 A CB -0.079 19.112 19.000 0.318 0.000 0.822 346 A HN 0.160 nan 8.150 nan 0.000 0.443 347 K N -0.549 119.913 120.400 0.103 0.000 2.372 347 K HA 0.416 4.736 4.320 -0.000 0.000 0.200 347 K C 0.432 177.071 176.600 0.065 0.000 1.022 347 K CA 0.185 56.480 56.287 0.013 0.000 1.125 347 K CB 0.356 32.737 32.500 -0.198 0.000 0.855 347 K HN 0.440 nan 8.250 nan 0.000 0.524 348 A N 1.729 124.613 122.820 0.107 0.000 2.366 348 A HA 0.174 4.493 4.320 -0.000 0.000 0.249 348 A C -0.246 177.395 177.584 0.095 0.000 1.084 348 A CA -0.085 52.012 52.037 0.099 0.000 0.794 348 A CB 0.271 19.347 19.000 0.127 0.000 1.034 348 A HN 0.164 nan 8.150 nan 0.000 0.491 349 K N 1.508 121.951 120.400 0.071 0.000 2.526 349 K HA 0.209 4.529 4.320 -0.000 0.000 0.214 349 K C -0.214 176.410 176.600 0.040 0.000 1.088 349 K CA 0.080 56.406 56.287 0.064 0.000 1.058 349 K CB 0.510 33.041 32.500 0.050 0.000 1.653 349 K HN 0.709 nan 8.250 nan 0.000 0.521 350 T N -1.587 113.010 114.554 0.071 0.000 3.579 350 T HA 0.037 4.387 4.350 -0.000 0.000 0.328 350 T C 1.219 175.935 174.700 0.027 0.000 1.481 350 T CA -0.581 61.528 62.100 0.016 0.000 1.144 350 T CB 0.316 69.231 68.868 0.077 0.000 1.205 350 T HN 0.262 nan 8.240 nan 0.000 0.812 351 S N 1.836 117.521 115.700 -0.025 0.000 2.461 351 S HA 0.147 4.617 4.470 -0.000 0.000 0.228 351 S C 0.997 175.599 174.600 0.003 0.000 1.005 351 S CA 0.178 58.387 58.200 0.015 0.000 0.942 351 S CB -0.375 62.810 63.200 -0.024 0.000 0.776 351 S HN 1.068 nan 8.310 nan 0.000 0.514 352 S N -1.012 114.570 115.700 -0.197 0.000 2.643 352 S HA 0.739 5.209 4.470 -0.000 0.000 0.270 352 S C -0.007 174.162 174.600 -0.718 0.000 1.166 352 S CA -0.547 57.511 58.200 -0.237 0.000 0.815 352 S CB 0.804 63.937 63.200 -0.112 0.000 1.139 352 S HN 0.533 nan 8.310 nan 0.000 0.472 353 G N -0.450 107.817 108.800 -0.888 0.000 2.543 353 G HA2 0.594 4.554 3.960 -0.000 0.000 0.290 353 G HA3 0.594 4.554 3.960 -0.000 0.000 0.290 353 G C 0.389 174.864 174.900 -0.709 0.000 1.310 353 G CA -0.437 43.831 45.100 -1.387 0.000 1.025 353 G HN 1.119 nan 8.290 nan 0.000 0.502 354 G N -2.239 106.292 108.800 -0.448 0.000 2.476 354 G HA2 0.608 4.567 3.960 -0.000 0.000 0.286 354 G HA3 0.608 4.567 3.960 -0.000 0.000 0.286 354 G C 0.686 175.634 174.900 0.081 0.000 1.177 354 G CA 0.668 45.693 45.100 -0.125 0.000 0.870 354 G HN 1.935 nan 8.290 nan 0.000 0.528 355 G N 0.034 108.890 108.800 0.092 0.000 2.545 355 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.240 355 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.240 355 G C 1.585 176.684 174.900 0.331 0.000 1.172 355 G CA 0.883 46.095 45.100 0.188 0.000 0.949 355 G HN 1.679 nan 8.290 nan 0.000 0.574 356 S N 0.494 116.387 115.700 0.321 0.000 2.399 356 S HA 0.121 4.590 4.470 -0.000 0.000 0.231 356 S C 2.562 177.232 174.600 0.117 0.000 1.022 356 S CA 2.371 60.744 58.200 0.289 0.000 0.983 356 S CB -0.562 62.772 63.200 0.223 0.000 0.803 356 S HN 1.973 nan 8.310 nan 0.000 0.480 357 A N 0.808 123.717 122.820 0.148 0.000 2.208 357 A HA 0.338 4.658 4.320 -0.000 0.000 0.209 357 A C 1.333 178.951 177.584 0.056 0.000 1.161 357 A CA 0.589 52.684 52.037 0.097 0.000 0.782 357 A CB -0.416 18.691 19.000 0.179 0.000 0.816 357 A HN 0.665 nan 8.150 nan 0.000 0.477 361 S N 2.175 117.764 115.700 -0.186 0.000 2.610 361 S HA 0.262 4.731 4.470 -0.000 0.000 0.273 361 S C 0.852 175.335 174.600 -0.195 0.000 1.274 361 S CA -0.370 57.652 58.200 -0.298 0.000 1.023 361 S CB 0.390 63.435 63.200 -0.258 0.000 0.962 361 S HN 0.463 nan 8.310 nan 0.000 0.523 362 Y N 1.180 121.374 120.300 -0.178 0.000 2.151 362 Y HA -0.079 4.470 4.550 -0.000 0.000 0.284 362 Y C 0.777 176.697 175.900 0.032 0.000 1.166 362 Y CA 0.875 58.930 58.100 -0.074 0.000 1.163 362 Y CB -0.733 37.686 38.460 -0.070 0.000 0.974 362 Y HN 0.758 nan 8.280 nan 0.000 0.511 363 Y N -5.517 114.865 120.300 0.138 0.000 2.702 363 Y HA 0.620 5.170 4.550 -0.000 0.000 0.336 363 Y C -1.806 174.120 175.900 0.043 0.000 1.203 363 Y CA -2.566 55.579 58.100 0.075 0.000 1.072 363 Y CB 0.798 39.302 38.460 0.075 0.000 1.327 363 Y HN -0.389 nan 8.280 nan 0.000 0.456 364 V N 2.189 122.206 119.914 0.172 0.000 2.531 364 V HA 0.497 4.617 4.120 -0.000 0.000 0.301 364 V C -0.709 175.522 176.094 0.227 0.000 1.034 364 V CA -0.995 61.382 62.300 0.128 0.000 0.865 364 V CB 1.764 33.612 31.823 0.043 0.000 0.995 364 V HN 0.737 nan 8.190 nan 0.000 0.424 365 V N 4.522 124.586 119.914 0.250 0.000 2.427 365 V HA 0.262 4.382 4.120 -0.000 0.000 0.268 365 V C 0.906 177.081 176.094 0.135 0.000 1.046 365 V CA -0.131 62.275 62.300 0.177 0.000 0.970 365 V CB 1.220 33.137 31.823 0.157 0.000 1.001 365 V HN 1.069 nan 8.190 nan 0.000 0.476 366 S N 6.063 121.838 115.700 0.126 0.000 2.589 366 S HA 0.234 4.703 4.470 -0.000 0.000 0.265 366 S C -1.661 173.020 174.600 0.136 0.000 1.342 366 S CA -0.798 57.481 58.200 0.132 0.000 1.005 366 S CB 0.858 64.140 63.200 0.138 0.000 0.909 366 S HN 0.499 nan 8.310 nan 0.000 0.555 367 P HA -0.089 nan 4.420 nan 0.000 0.215 367 P C 1.255 178.643 177.300 0.146 0.000 1.157 367 P CA 1.053 64.237 63.100 0.140 0.000 0.863 367 P CB -0.223 31.567 31.700 0.150 0.000 0.787 368 Y N 1.476 121.807 120.300 0.052 0.000 2.102 368 Y HA -0.277 4.272 4.550 -0.000 0.000 0.280 368 Y C 2.085 177.992 175.900 0.013 0.000 1.178 368 Y CA 1.881 59.996 58.100 0.024 0.000 1.146 368 Y CB -0.797 37.636 38.460 -0.044 0.000 0.968 368 Y HN 0.022 nan 8.280 nan 0.000 0.504 369 E N -0.896 119.338 120.200 0.058 0.000 2.153 369 E HA -0.154 4.195 4.350 -0.000 0.000 0.194 369 E C 2.409 178.966 176.600 -0.073 0.000 0.988 369 E CA 0.839 57.218 56.400 -0.035 0.000 0.811 369 E CB -0.514 29.219 29.700 0.054 0.000 0.746 369 E HN 0.655 nan 8.360 nan 0.000 0.466 370 G N 1.216 110.007 108.800 -0.015 0.000 2.408 370 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.217 370 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.217 370 G C 1.587 176.456 174.900 -0.052 0.000 1.150 370 G CA 0.464 45.560 45.100 -0.007 0.000 0.776 370 G HN 0.120 nan 8.290 nan 0.000 0.542 371 I N 0.347 120.871 120.570 -0.076 0.000 2.252 371 I HA -0.118 4.052 4.170 -0.000 0.000 0.245 371 I C 2.728 178.717 176.117 -0.212 0.000 1.102 371 I CA 0.334 61.578 61.300 -0.093 0.000 1.385 371 I CB -0.242 37.738 38.000 -0.032 0.000 1.064 371 I HN 0.005 nan 8.210 nan 0.000 0.414 372 V N 1.419 121.138 119.914 -0.326 0.000 2.332 372 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 372 V C 2.161 178.148 176.094 -0.179 0.000 1.055 372 V CA 1.924 64.052 62.300 -0.288 0.000 1.038 372 V CB -0.856 30.754 31.823 -0.356 0.000 0.651 372 V HN 0.461 nan 8.190 nan 0.000 0.450 373 N N 0.212 118.823 118.700 -0.148 0.000 2.166 373 N HA -0.174 4.565 4.740 -0.000 0.000 0.186 373 N C 1.827 177.261 175.510 -0.126 0.000 1.019 373 N CA 1.308 54.292 53.050 -0.109 0.000 0.856 373 N CB -0.321 38.119 38.487 -0.079 0.000 0.993 373 N HN 0.386 nan 8.380 nan 0.000 0.426 374 K N 0.921 121.219 120.400 -0.169 0.000 2.103 374 K HA 0.151 4.471 4.320 -0.000 0.000 0.204 374 K C 1.769 178.203 176.600 -0.276 0.000 1.052 374 K CA 0.722 56.866 56.287 -0.239 0.000 0.945 374 K CB -0.095 32.186 32.500 -0.365 0.000 0.722 374 K HN 0.124 nan 8.250 nan 0.000 0.443 375 L N -1.307 119.763 121.223 -0.256 0.000 2.416 375 L HA 0.216 4.556 4.340 -0.000 0.000 0.216 375 L C 0.941 177.736 176.870 -0.125 0.000 1.098 375 L CA 0.457 55.172 54.840 -0.208 0.000 0.840 375 L CB -0.126 41.829 42.059 -0.174 0.000 0.981 375 L HN 0.506 nan 8.230 nan 0.000 0.462 376 G N 1.869 110.600 108.800 -0.114 0.000 2.198 376 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.257 376 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.257 376 G C 0.042 174.906 174.900 -0.060 0.000 1.042 376 G CA 0.832 45.885 45.100 -0.079 0.000 0.791 376 G HN 0.543 nan 8.290 nan 0.000 0.502 377 K N -1.645 118.717 120.400 -0.065 0.000 2.615 377 K HA 0.607 4.927 4.320 -0.000 0.000 0.291 377 K C -0.560 176.017 176.600 -0.039 0.000 1.017 377 K CA -1.214 55.050 56.287 -0.038 0.000 0.882 377 K CB 1.230 33.716 32.500 -0.022 0.000 1.522 377 K HN 0.059 nan 8.250 nan 0.000 0.412 378 E N 0.784 120.983 120.200 -0.001 0.000 2.413 378 E HA 0.157 4.506 4.350 -0.000 0.000 0.263 378 E C -0.754 175.874 176.600 0.046 0.000 1.015 378 E CA -0.240 56.181 56.400 0.035 0.000 0.916 378 E CB 1.060 30.803 29.700 0.071 0.000 0.947 378 E HN 0.261 nan 8.360 nan 0.000 0.440 379 V N 3.694 123.655 119.914 0.079 0.000 2.555 379 V HA 0.100 4.220 4.120 -0.000 0.000 0.302 379 V C -0.411 175.847 176.094 0.272 0.000 1.038 379 V CA -1.001 61.366 62.300 0.111 0.000 0.887 379 V CB 1.977 33.770 31.823 -0.051 0.000 0.991 379 V HN 0.623 nan 8.190 nan 0.000 0.434 380 D N 2.780 123.304 120.400 0.206 0.000 2.443 380 D HA 0.275 4.915 4.640 -0.000 0.000 0.239 380 D C -0.691 175.759 176.300 0.249 0.000 1.136 380 D CA 0.688 54.807 54.000 0.198 0.000 0.879 380 D CB 0.628 41.514 40.800 0.144 0.000 1.195 380 D HN 0.567 nan 8.370 nan 0.000 0.443 381 Y N 0.093 120.427 120.300 0.056 0.000 2.534 381 Y HA 0.477 5.027 4.550 -0.000 0.000 0.345 381 Y C -1.151 174.719 175.900 -0.050 0.000 1.031 381 Y CA -0.567 57.526 58.100 -0.012 0.000 1.022 381 Y CB 2.239 40.607 38.460 -0.153 0.000 1.292 381 Y HN 0.277 nan 8.280 nan 0.000 0.459 382 T N 4.474 118.465 114.554 -0.939 0.000 2.956 382 T HA 0.235 4.585 4.350 -0.000 0.000 0.312 382 T C -0.171 173.862 174.700 -1.112 0.000 1.151 382 T CA -0.115 61.410 62.100 -0.958 0.000 1.024 382 T CB 1.559 70.193 68.868 -0.389 0.000 1.140 382 T HN 0.778 nan 8.240 nan 0.000 0.473 383 V N 4.223 123.669 119.914 -0.780 0.000 2.427 383 V HA 0.214 4.334 4.120 -0.000 0.000 0.248 383 V C 2.010 177.984 176.094 -0.201 0.000 1.051 383 V CA 3.217 65.323 62.300 -0.322 0.000 1.048 383 V CB -0.987 30.829 31.823 -0.013 0.000 0.666 383 V HN 1.417 nan 8.190 nan 0.000 0.456 384 G N -0.187 108.474 108.800 -0.232 0.000 3.329 384 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.220 384 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.220 384 G C 0.411 175.225 174.900 -0.144 0.000 1.358 384 G CA 0.265 45.265 45.100 -0.167 0.000 0.856 384 G HN 1.997 nan 8.290 nan 0.000 0.551 385 A N -1.521 121.235 122.820 -0.105 0.000 2.605 385 A HA 0.684 5.003 4.320 -0.000 0.000 0.294 385 A C -1.098 176.518 177.584 0.054 0.000 1.062 385 A CA -0.468 51.520 52.037 -0.082 0.000 0.682 385 A CB 0.740 19.731 19.000 -0.015 0.000 1.278 385 A HN 1.034 nan 8.150 nan 0.000 0.410 386 Y N 0.888 121.217 120.300 0.047 0.000 2.335 386 Y HA 0.539 5.089 4.550 -0.001 0.000 0.323 386 Y C 1.463 177.378 175.900 0.025 0.000 1.224 386 Y CA -0.321 57.831 58.100 0.087 0.000 1.241 386 Y CB 1.734 40.267 38.460 0.123 0.000 1.235 386 Y HN 0.904 nan 8.280 nan 0.000 0.492 387 S N -1.055 114.790 115.700 0.243 0.000 3.101 387 S HA 0.144 4.614 4.470 -0.000 0.000 0.252 387 S C -0.861 173.962 174.600 0.372 0.000 0.920 387 S CA -0.744 57.585 58.200 0.216 0.000 1.158 387 S CB -1.394 61.938 63.200 0.221 0.000 1.125 387 S HN 0.748 nan 8.310 nan 0.000 0.608 388 H N 0.313 119.558 119.070 0.292 0.000 2.652 388 H HA 0.552 5.107 4.556 -0.000 0.000 0.349 388 H C 1.115 176.512 175.328 0.116 0.000 1.099 388 H CA -0.418 55.730 56.048 0.166 0.000 1.417 388 H CB 0.953 30.711 29.762 -0.006 0.000 1.457 388 H HN 0.116 nan 8.280 nan 0.000 0.568 389 K N 1.818 122.115 120.400 -0.173 0.000 2.031 389 K HA -0.055 4.264 4.320 -0.000 0.000 0.205 389 K C -0.051 176.480 176.600 -0.114 0.000 1.049 389 K CA 1.198 57.172 56.287 -0.520 0.000 0.939 389 K CB 0.182 31.988 32.500 -1.156 0.000 0.717 389 K HN 0.807 nan 8.250 nan 0.000 0.438 390 S N -0.859 114.826 115.700 -0.026 0.000 2.667 390 S HA 0.459 4.929 4.470 -0.000 0.000 0.292 390 S C -0.340 174.253 174.600 -0.012 0.000 1.126 390 S CA -1.097 57.123 58.200 0.032 0.000 0.881 390 S CB 1.374 64.556 63.200 -0.030 0.000 1.132 390 S HN 0.107 nan 8.310 nan 0.000 0.492 391 I N 1.998 122.518 120.570 -0.084 0.000 2.352 391 I HA 0.521 4.691 4.170 -0.000 0.000 0.290 391 I C 1.029 177.060 176.117 -0.144 0.000 1.036 391 I CA 0.132 61.287 61.300 -0.241 0.000 1.336 391 I CB 0.754 38.627 38.000 -0.212 0.000 1.407 391 I HN 0.958 nan 8.210 nan 0.000 0.497 392 G N 2.825 111.522 108.800 -0.171 0.000 3.175 392 G HA2 0.555 4.515 3.960 -0.000 0.000 0.153 392 G HA3 0.555 4.515 3.960 -0.000 0.000 0.153 392 G C 0.704 175.540 174.900 -0.107 0.000 1.216 392 G CA -0.213 44.828 45.100 -0.098 0.000 0.943 392 G HN 0.884 nan 8.290 nan 0.000 0.611 393 G N -1.207 107.552 108.800 -0.068 0.000 2.179 393 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.260 393 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.260 393 G C 1.218 176.105 174.900 -0.021 0.000 0.977 393 G CA 1.089 46.160 45.100 -0.048 0.000 0.641 393 G HN 1.126 nan 8.290 nan 0.000 0.533 394 L N 1.050 122.257 121.223 -0.027 0.000 2.007 394 L HA 0.576 4.915 4.340 -0.000 0.000 0.205 394 L C 3.036 179.941 176.870 0.059 0.000 1.073 394 L CA 2.996 57.827 54.840 -0.014 0.000 0.744 394 L CB -0.998 41.078 42.059 0.028 0.000 0.898 394 L HN 0.656 nan 8.230 nan 0.000 0.435 395 A N -0.589 122.259 122.820 0.048 0.000 1.948 395 A HA -0.240 4.080 4.320 -0.000 0.000 0.220 395 A C 2.001 179.626 177.584 0.069 0.000 1.177 395 A CA 1.944 54.016 52.037 0.059 0.000 0.636 395 A CB -0.723 18.297 19.000 0.033 0.000 0.815 395 A HN 0.602 nan 8.150 nan 0.000 0.449 396 E N 0.045 120.280 120.200 0.057 0.000 2.478 396 E HA -0.016 4.334 4.350 -0.000 0.000 0.198 396 E C 1.096 177.750 176.600 0.091 0.000 1.046 396 E CA 0.907 57.344 56.400 0.061 0.000 0.870 396 E CB -0.006 29.719 29.700 0.041 0.000 0.818 396 E HN 0.664 nan 8.360 nan 0.000 0.527 397 S N -1.477 114.304 115.700 0.136 0.000 2.901 397 S HA 0.424 4.894 4.470 -0.000 0.000 0.248 397 S C -0.125 174.641 174.600 0.277 0.000 1.021 397 S CA -0.698 57.618 58.200 0.193 0.000 1.090 397 S CB 0.381 63.727 63.200 0.244 0.000 1.039 397 S HN -0.085 nan 8.310 nan 0.000 0.514 398 S N 0.636 116.464 115.700 0.214 0.000 2.599 398 S HA 0.847 5.317 4.470 -0.000 0.000 0.287 398 S C -0.824 173.863 174.600 0.145 0.000 1.105 398 S CA -0.671 57.672 58.200 0.238 0.000 0.899 398 S CB 1.557 64.902 63.200 0.241 0.000 1.100 398 S HN 0.506 nan 8.310 nan 0.000 0.482 405 P HA 0.039 nan 4.420 nan 0.000 0.271 405 P C -0.284 177.027 177.300 0.017 0.000 1.228 405 P CA 0.432 63.541 63.100 0.015 0.000 0.797 405 P CB 0.401 32.111 31.700 0.016 0.000 0.914 406 A N -0.458 122.372 122.820 0.017 0.000 2.508 406 A HA 0.090 4.410 4.320 -0.000 0.000 0.250 406 A C 0.651 178.248 177.584 0.022 0.000 1.208 406 A CA -0.141 51.907 52.037 0.019 0.000 0.960 406 A CB -0.248 18.762 19.000 0.016 0.000 1.099 406 A HN 0.598 nan 8.150 nan 0.000 0.542 407 D N 0.429 120.842 120.400 0.021 0.000 2.515 407 D HA 0.083 4.723 4.640 -0.000 0.000 0.230 407 D C 1.256 177.571 176.300 0.025 0.000 1.181 407 D CA 0.920 54.932 54.000 0.021 0.000 0.875 407 D CB 0.817 41.629 40.800 0.019 0.000 1.213 407 D HN 0.231 nan 8.370 nan 0.000 0.478 408 A N 2.621 125.455 122.820 0.023 0.000 2.258 408 A HA -0.079 4.241 4.320 -0.000 0.000 0.206 408 A C 1.461 179.061 177.584 0.027 0.000 1.222 408 A CA 0.591 52.644 52.037 0.026 0.000 0.822 408 A CB 0.004 19.018 19.000 0.024 0.000 0.804 408 A HN 0.552 nan 8.150 nan 0.000 0.483 409 E N -0.903 119.312 120.200 0.025 0.000 2.571 409 E HA 0.006 4.355 4.350 -0.000 0.000 0.222 409 E C 0.525 177.141 176.600 0.027 0.000 0.904 409 E CA -0.010 56.405 56.400 0.024 0.000 1.157 409 E CB 0.118 29.831 29.700 0.020 0.000 1.158 409 E HN 0.482 nan 8.360 nan 0.000 0.540 410 N N 0.231 118.948 118.700 0.029 0.000 2.314 410 N HA 0.040 4.780 4.740 -0.000 0.000 0.200 410 N C -0.773 174.761 175.510 0.041 0.000 1.135 410 N CA 0.102 53.172 53.050 0.033 0.000 0.835 410 N CB 0.350 38.855 38.487 0.030 0.000 0.989 410 N HN -0.193 nan 8.380 nan 0.000 0.478 411 S N -0.072 115.653 115.700 0.041 0.000 2.430 411 S HA 0.657 5.126 4.470 -0.000 0.000 0.289 411 S C 0.546 175.177 174.600 0.052 0.000 1.143 411 S CA 0.074 58.303 58.200 0.048 0.000 1.067 411 S CB 0.763 63.989 63.200 0.044 0.000 0.964 411 S HN 0.630 nan 8.310 nan 0.000 0.485 412 G N 2.858 111.697 108.800 0.066 0.000 2.358 412 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.198 412 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.198 412 G C -1.591 173.355 174.900 0.076 0.000 1.220 412 G CA -0.877 44.264 45.100 0.068 0.000 1.187 412 G HN 0.647 nan 8.290 nan 0.000 0.544 413 L N 0.068 121.332 121.223 0.068 0.000 2.309 413 L HA 0.747 5.087 4.340 -0.000 0.000 0.261 413 L C -0.350 176.557 176.870 0.062 0.000 1.021 413 L CA -1.264 53.617 54.840 0.068 0.000 0.823 413 L CB 1.943 44.042 42.059 0.067 0.000 1.366 413 L HN 0.451 nan 8.230 nan 0.000 0.423 414 I N 1.531 122.135 120.570 0.056 0.000 2.354 414 I HA 0.473 4.643 4.170 -0.000 0.000 0.292 414 I C 0.166 176.310 176.117 0.046 0.000 0.989 414 I CA -0.463 60.868 61.300 0.052 0.000 1.188 414 I CB 1.533 39.557 38.000 0.040 0.000 1.342 414 I HN 0.617 nan 8.210 nan 0.000 0.457 415 A N 7.519 130.374 122.820 0.060 0.000 2.260 415 A HA 0.579 4.899 4.320 -0.000 0.000 0.314 415 A C -0.105 177.444 177.584 -0.058 0.000 1.257 415 A CA -0.653 51.371 52.037 -0.021 0.000 0.871 415 A CB 0.419 19.407 19.000 -0.019 0.000 1.166 415 A HN 0.655 nan 8.150 nan 0.000 0.522 416 K N 2.884 123.206 120.400 -0.129 0.000 2.449 416 K HA 0.391 4.710 4.320 -0.000 0.000 0.257 416 K C -1.479 174.927 176.600 -0.323 0.000 0.989 416 K CA -0.005 56.185 56.287 -0.161 0.000 0.916 416 K CB 1.198 33.665 32.500 -0.055 0.000 1.136 416 K HN 0.644 nan 8.250 nan 0.000 0.439 417 F N 2.211 121.850 119.950 -0.519 0.000 2.399 417 F HA 0.263 4.790 4.527 -0.001 0.000 0.342 417 F C 0.129 175.399 175.800 -0.883 0.000 1.106 417 F CA -0.064 57.569 58.000 -0.613 0.000 1.196 417 F CB 0.505 38.957 39.000 -0.914 0.000 1.163 417 F HN 0.359 nan 8.300 nan 0.000 0.547 418 Y N 0.083 120.426 120.300 0.070 0.000 2.524 418 Y HA 0.197 4.747 4.550 -0.000 0.000 0.347 418 Y C 0.859 177.174 175.900 0.692 0.000 1.005 418 Y CA -0.853 57.432 58.100 0.309 0.000 1.025 418 Y CB 2.041 40.622 38.460 0.200 0.000 1.275 418 Y HN 0.498 nan 8.280 nan 0.000 0.460 419 S N 1.027 117.233 115.700 0.842 0.000 2.368 419 S HA -0.113 4.357 4.470 -0.000 0.000 0.225 419 S C -0.060 174.853 174.600 0.521 0.000 1.030 419 S CA 1.356 59.930 58.200 0.623 0.000 0.999 419 S CB -0.331 63.096 63.200 0.378 0.000 0.844 419 S HN 0.735 nan 8.310 nan 0.000 0.459 420 N N 0.182 119.047 118.700 0.275 0.000 2.469 420 N HA 0.511 5.251 4.740 -0.000 0.000 0.286 420 N C -3.280 171.899 175.510 -0.552 0.000 1.275 420 N CA -1.891 51.072 53.050 -0.145 0.000 0.790 420 N CB 0.696 39.122 38.487 -0.101 0.000 1.446 420 N HN -0.122 nan 8.380 nan 0.000 0.501 421 P HA 0.046 nan 4.420 nan 0.000 0.272 421 P C 0.663 177.711 177.300 -0.420 0.000 1.223 421 P CA -0.435 62.167 63.100 -0.831 0.000 0.784 421 P CB 0.711 31.993 31.700 -0.697 0.000 0.923 422 V N 1.669 121.386 119.914 -0.328 0.000 2.407 422 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 422 V C 1.817 177.787 176.094 -0.207 0.000 1.055 422 V CA 1.909 64.052 62.300 -0.261 0.000 1.049 422 V CB -1.482 30.214 31.823 -0.212 0.000 0.662 422 V HN 0.585 nan 8.190 nan 0.000 0.455 423 E N 1.413 121.501 120.200 -0.186 0.000 2.110 423 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 423 E C 0.835 177.351 176.600 -0.141 0.000 0.988 423 E CA 1.352 57.669 56.400 -0.138 0.000 0.804 423 E CB -0.122 29.506 29.700 -0.119 0.000 0.745 423 E HN 0.820 nan 8.360 nan 0.000 0.458 424 E N 1.168 121.262 120.200 -0.176 0.000 3.374 424 E HA 0.301 4.651 4.350 -0.000 0.000 0.223 424 E C -0.867 175.647 176.600 -0.143 0.000 1.210 424 E CA -0.423 55.892 56.400 -0.142 0.000 0.987 424 E CB 0.452 30.073 29.700 -0.131 0.000 1.322 424 E HN 0.086 nan 8.360 nan 0.000 0.404 425 R N -0.319 120.094 120.500 -0.145 0.000 2.575 425 R HA 0.418 4.758 4.340 -0.000 0.000 0.293 425 R C 0.434 176.679 176.300 -0.092 0.000 0.983 425 R CA -0.773 55.251 56.100 -0.127 0.000 0.887 425 R CB 1.137 31.317 30.300 -0.199 0.000 1.184 425 R HN 0.064 nan 8.270 nan 0.000 0.445 426 S N 0.781 116.450 115.700 -0.051 0.000 2.368 426 S HA -0.119 4.351 4.470 -0.000 0.000 0.225 426 S C 0.407 174.988 174.600 -0.030 0.000 1.030 426 S CA 1.313 59.494 58.200 -0.033 0.000 0.999 426 S CB -0.590 62.605 63.200 -0.009 0.000 0.844 426 S HN 0.878 nan 8.310 nan 0.000 0.459 433 H N 2.260 121.044 119.070 -0.476 0.000 2.495 433 H HA 0.818 5.374 4.556 -0.000 0.000 0.348 433 H C -1.342 173.977 175.328 -0.015 0.000 1.113 433 H CA -1.108 54.823 56.048 -0.195 0.000 1.195 433 H CB 2.132 31.672 29.762 -0.369 0.000 1.521 433 H HN 0.097 nan 8.280 nan 0.000 0.509 434 V N 4.679 124.422 119.914 -0.285 0.000 2.656 434 V HA 0.523 4.643 4.120 -0.000 0.000 0.307 434 V C -0.506 175.457 176.094 -0.218 0.000 1.051 434 V CA -0.663 61.547 62.300 -0.149 0.000 0.893 434 V CB 1.938 33.716 31.823 -0.075 0.000 0.999 434 V HN 0.962 nan 8.190 nan 0.000 0.426 435 T N 3.538 118.094 114.554 0.004 0.000 2.971 435 T HA 0.316 4.665 4.350 -0.000 0.000 0.304 435 T C -0.606 174.145 174.700 0.084 0.000 1.038 435 T CA -0.739 61.399 62.100 0.063 0.000 1.007 435 T CB 1.769 70.818 68.868 0.302 0.000 1.055 435 T HN 0.634 nan 8.240 nan 0.000 0.451 436 K N 3.262 123.679 120.400 0.028 0.000 2.315 436 K HA 0.324 4.643 4.320 -0.000 0.000 0.291 436 K C -0.595 176.013 176.600 0.014 0.000 1.074 436 K CA -0.221 56.082 56.287 0.026 0.000 0.936 436 K CB 0.111 32.618 32.500 0.012 0.000 1.049 436 K HN 0.376 nan 8.250 nan 0.000 0.471 437 V N 5.686 125.632 119.914 0.053 0.000 2.385 437 V HA 0.066 4.185 4.120 -0.000 0.000 0.269 437 V C 0.614 176.728 176.094 0.034 0.000 1.043 437 V CA -0.471 61.862 62.300 0.055 0.000 0.906 437 V CB 1.103 33.000 31.823 0.124 0.000 0.995 437 V HN 0.768 nan 8.190 nan 0.000 0.467 438 N N 4.451 123.158 118.700 0.011 0.000 2.254 438 N HA 0.160 4.900 4.740 -0.000 0.000 0.190 438 N C 0.345 175.867 175.510 0.020 0.000 1.107 438 N CA 0.100 53.161 53.050 0.019 0.000 0.869 438 N CB 0.695 39.190 38.487 0.013 0.000 0.983 438 N HN 0.571 nan 8.380 nan 0.000 0.487 439 R N -0.323 120.186 120.500 0.015 0.000 2.628 439 R HA 0.406 4.746 4.340 -0.000 0.000 0.288 439 R C 0.321 176.616 176.300 -0.008 0.000 0.980 439 R CA -0.423 55.682 56.100 0.009 0.000 0.891 439 R CB 1.569 31.876 30.300 0.011 0.000 1.188 439 R HN -0.138 nan 8.270 nan 0.000 0.450 440 S N 0.934 116.621 115.700 -0.021 0.000 2.423 440 S HA -0.109 4.360 4.470 -0.000 0.000 0.231 440 S C 0.920 175.453 174.600 -0.113 0.000 1.014 440 S CA 0.887 59.056 58.200 -0.051 0.000 0.965 440 S CB -0.180 63.004 63.200 -0.028 0.000 0.785 440 S HN 0.483 nan 8.310 nan 0.000 0.495 441 N N 2.358 121.013 118.700 -0.075 0.000 2.415 441 N HA 0.126 4.865 4.740 -0.000 0.000 0.250 441 N C -1.271 174.188 175.510 -0.085 0.000 1.127 441 N CA 0.079 53.078 53.050 -0.085 0.000 0.945 441 N CB 0.590 39.066 38.487 -0.018 0.000 1.196 441 N HN -0.090 nan 8.380 nan 0.000 0.499 442 V N 4.597 124.330 119.914 -0.302 0.000 2.334 442 V HA 0.067 4.186 4.120 -0.000 0.000 0.267 442 V C -0.025 175.981 176.094 -0.146 0.000 1.040 442 V CA -0.628 61.505 62.300 -0.279 0.000 0.866 442 V CB -0.053 31.295 31.823 -0.791 0.000 1.019 442 V HN 0.587 nan 8.190 nan 0.000 0.468 443 H N 5.198 124.283 119.070 0.024 0.000 2.700 443 H HA 0.448 5.003 4.556 -0.000 0.000 0.269 443 H C 0.440 175.854 175.328 0.143 0.000 1.222 443 H CA -0.377 55.697 56.048 0.044 0.000 1.254 443 H CB 0.746 30.530 29.762 0.037 0.000 1.413 443 H HN 0.603 nan 8.280 nan 0.000 0.507 444 L N 4.792 125.981 121.223 -0.056 0.000 2.645 444 L HA 0.022 4.361 4.340 -0.000 0.000 0.234 444 L C 1.327 178.335 176.870 0.231 0.000 1.165 444 L CA -0.119 54.779 54.840 0.097 0.000 0.944 444 L CB -0.404 41.697 42.059 0.070 0.000 1.149 444 L HN 0.537 nan 8.230 nan 0.000 0.446 445 F N 2.390 122.280 119.950 -0.099 0.000 2.102 445 F HA -0.226 4.301 4.527 -0.000 0.000 0.298 445 F C 1.898 177.723 175.800 0.042 0.000 1.105 445 F CA 1.749 59.714 58.000 -0.059 0.000 1.239 445 F CB -0.048 38.855 39.000 -0.161 0.000 0.991 445 F HN 0.359 nan 8.300 nan 0.000 0.474 446 D N -0.667 119.699 120.400 -0.057 0.000 2.460 446 D HA -0.015 4.625 4.640 -0.000 0.000 0.229 446 D C 0.007 176.340 176.300 0.055 0.000 1.170 446 D CA -0.442 53.407 54.000 -0.251 0.000 0.827 446 D CB -1.679 39.041 40.800 -0.134 0.000 0.973 446 D HN 0.168 nan 8.370 nan 0.000 0.496 447 F N 2.511 122.474 119.950 0.021 0.000 2.412 447 F HA 0.326 4.853 4.527 -0.001 0.000 0.348 447 F C 0.151 175.944 175.800 -0.013 0.000 1.102 447 F CA -0.468 57.564 58.000 0.053 0.000 1.196 447 F CB 0.704 39.741 39.000 0.061 0.000 1.144 447 F HN -0.083 nan 8.300 nan 0.000 0.541 448 K N 5.856 125.744 120.400 -0.853 0.000 2.523 448 K HA 0.402 4.722 4.320 -0.000 0.000 0.257 448 K C -1.944 174.199 176.600 -0.761 0.000 0.932 448 K CA -0.947 54.962 56.287 -0.630 0.000 0.812 448 K CB 2.285 34.614 32.500 -0.285 0.000 1.326 448 K HN 0.775 nan 8.250 nan 0.000 0.433 449 H N 1.248 119.975 119.070 -0.573 0.000 3.008 449 H HA 0.030 4.585 4.556 -0.000 0.000 0.354 449 H C 0.146 175.325 175.328 -0.248 0.000 1.252 449 H CA -0.130 55.669 56.048 -0.415 0.000 1.117 449 H CB 2.660 32.213 29.762 -0.349 0.000 1.857 449 H HN 0.925 nan 8.280 nan 0.000 0.547 450 E N 1.957 121.929 120.200 -0.381 0.000 2.130 450 E HA -0.157 4.193 4.350 -0.000 0.000 0.196 450 E C 0.405 176.981 176.600 -0.040 0.000 0.998 450 E CA 1.677 57.976 56.400 -0.167 0.000 0.806 450 E CB 0.056 29.628 29.700 -0.214 0.000 0.738 450 E HN 0.383 nan 8.360 nan 0.000 0.459 451 K N 0.223 120.632 120.400 0.015 0.000 2.504 451 K HA 0.182 4.502 4.320 -0.000 0.000 0.199 451 K C -0.905 175.574 176.600 -0.202 0.000 1.028 451 K CA -0.076 56.034 56.287 -0.296 0.000 1.164 451 K CB 0.732 32.686 32.500 -0.911 0.000 0.877 451 K HN 0.014 nan 8.250 nan 0.000 0.508 452 V N 1.091 120.987 119.914 -0.029 0.000 2.709 452 V HA 0.042 4.162 4.120 -0.000 0.000 0.308 452 V C 0.240 176.393 176.094 0.098 0.000 1.062 452 V CA -1.148 61.221 62.300 0.115 0.000 0.901 452 V CB 2.012 33.977 31.823 0.237 0.000 1.003 452 V HN 0.312 nan 8.190 nan 0.000 0.425 459 F N 0.437 120.382 119.950 -0.008 0.000 2.741 459 F HA 0.904 5.431 4.527 -0.000 0.000 0.313 459 F C -2.144 173.483 175.800 -0.288 0.000 1.153 459 F CA -2.017 56.085 58.000 0.170 0.000 0.931 459 F CB 1.324 40.614 39.000 0.484 0.000 1.335 459 F HN 0.124 nan 8.300 nan 0.000 0.460 460 F N 0.489 120.737 119.950 0.496 0.000 2.593 460 F HA 0.810 5.336 4.527 -0.000 0.000 0.320 460 F C -0.671 175.283 175.800 0.257 0.000 1.060 460 F CA -1.389 56.749 58.000 0.229 0.000 0.940 460 F CB 2.397 41.469 39.000 0.119 0.000 1.268 460 F HN 0.399 nan 8.300 nan 0.000 0.475 461 V N 0.786 120.859 119.914 0.264 0.000 2.656 461 V HA 0.511 4.631 4.120 -0.000 0.000 0.307 461 V C -0.683 175.434 176.094 0.038 0.000 1.051 461 V CA -0.684 61.635 62.300 0.031 0.000 0.893 461 V CB 2.044 33.784 31.823 -0.138 0.000 0.999 461 V HN 0.786 nan 8.190 nan 0.000 0.426 462 T N 5.772 120.356 114.554 0.050 0.000 2.809 462 T HA 0.544 4.894 4.350 -0.000 0.000 0.296 462 T C -0.718 173.978 174.700 -0.006 0.000 1.015 462 T CA -0.154 61.965 62.100 0.031 0.000 0.954 462 T CB 0.907 69.833 68.868 0.096 0.000 0.950 462 T HN 0.399 nan 8.240 nan 0.000 0.450 463 L N 5.272 126.477 121.223 -0.031 0.000 2.280 463 L HA 0.708 5.048 4.340 -0.000 0.000 0.287 463 L C 0.108 176.973 176.870 -0.009 0.000 1.023 463 L CA 0.066 54.906 54.840 -0.002 0.000 0.819 463 L CB 1.053 43.149 42.059 0.061 0.000 1.212 463 L HN 0.746 nan 8.230 nan 0.000 0.420 464 T N 1.386 115.950 114.554 0.018 0.000 2.909 464 T HA 1.002 5.352 4.350 -0.000 0.000 0.299 464 T C -0.258 174.474 174.700 0.053 0.000 1.073 464 T CA -0.223 61.895 62.100 0.028 0.000 0.999 464 T CB 1.916 70.800 68.868 0.027 0.000 1.098 464 T HN 0.960 nan 8.240 nan 0.000 0.477 465 G N 1.032 109.876 108.800 0.074 0.000 2.341 465 G HA2 0.543 4.502 3.960 -0.000 0.000 0.299 465 G HA3 0.543 4.502 3.960 -0.000 0.000 0.299 465 G C -2.176 172.801 174.900 0.129 0.000 1.274 465 G CA -0.940 44.216 45.100 0.095 0.000 0.853 465 G HN 1.018 nan 8.290 nan 0.000 0.493 466 Q N -0.979 118.908 119.800 0.145 0.000 2.353 466 Q HA 0.671 5.011 4.340 -0.000 0.000 0.268 466 Q C -1.873 174.279 176.000 0.253 0.000 1.045 466 Q CA -1.005 54.904 55.803 0.178 0.000 0.811 466 Q CB 2.917 31.722 28.738 0.112 0.000 1.305 466 Q HN 0.552 nan 8.270 nan 0.000 0.447 467 Y N 1.851 122.256 120.300 0.176 0.000 2.335 467 Y HA 0.486 5.036 4.550 -0.000 0.000 0.338 467 Y C -1.375 174.634 175.900 0.181 0.000 0.977 467 Y CA -1.004 57.202 58.100 0.176 0.000 1.114 467 Y CB 1.547 40.149 38.460 0.236 0.000 1.182 467 Y HN 0.548 nan 8.280 nan 0.000 0.463 468 V N 9.344 128.987 119.914 -0.451 0.000 2.304 468 V HA 0.335 4.455 4.120 -0.000 0.000 0.278 468 V C -2.129 173.589 176.094 -0.627 0.000 1.018 468 V CA -2.019 60.063 62.300 -0.363 0.000 0.814 468 V CB 0.903 32.638 31.823 -0.147 0.000 1.021 468 V HN 0.714 nan 8.190 nan 0.000 0.440 469 P HA 0.025 nan 4.420 nan 0.000 0.266 469 P C -0.024 177.191 177.300 -0.142 0.000 1.186 469 P CA 0.233 63.045 63.100 -0.481 0.000 0.767 469 P CB 0.979 32.415 31.700 -0.439 0.000 0.820 470 Q N 0.454 120.267 119.800 0.022 0.000 2.247 470 Q HA 0.130 4.470 4.340 -0.000 0.000 0.211 470 Q C -0.166 175.899 176.000 0.109 0.000 0.861 470 Q CA 0.622 56.460 55.803 0.059 0.000 0.949 470 Q CB 0.570 29.348 28.738 0.066 0.000 1.115 470 Q HN 0.522 nan 8.270 nan 0.000 0.507 471 E N -0.620 119.689 120.200 0.183 0.000 2.429 471 E HA 0.278 4.627 4.350 -0.000 0.000 0.276 471 E C -1.355 175.372 176.600 0.213 0.000 0.953 471 E CA -0.820 55.681 56.400 0.168 0.000 0.787 471 E CB 1.485 31.275 29.700 0.151 0.000 1.307 471 E HN 0.037 nan 8.360 nan 0.000 0.458 472 D N 0.557 121.049 120.400 0.153 0.000 2.264 472 D HA 0.503 5.142 4.640 -0.000 0.000 0.249 472 D C 0.385 176.786 176.300 0.169 0.000 1.070 472 D CA 0.415 54.511 54.000 0.160 0.000 0.912 472 D CB 1.697 42.560 40.800 0.105 0.000 1.193 472 D HN 0.654 nan 8.370 nan 0.000 0.427 473 G N 2.054 110.975 108.800 0.202 0.000 2.236 473 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.231 473 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.231 473 G C -1.476 173.540 174.900 0.193 0.000 1.334 473 G CA -0.790 44.397 45.100 0.144 0.000 1.137 473 G HN 0.412 nan 8.290 nan 0.000 0.482 474 D N 0.446 120.895 120.400 0.081 0.000 2.256 474 D HA 0.640 5.279 4.640 -0.000 0.000 0.250 474 D C -0.849 175.437 176.300 -0.023 0.000 1.093 474 D CA 0.572 54.625 54.000 0.089 0.000 0.882 474 D CB 1.037 41.860 40.800 0.038 0.000 1.185 474 D HN 0.308 nan 8.370 nan 0.000 0.437 475 Y N 0.517 120.808 120.300 -0.015 0.000 2.425 475 Y HA 0.445 4.994 4.550 -0.000 0.000 0.344 475 Y C 0.059 175.864 175.900 -0.159 0.000 0.969 475 Y CA -0.837 57.190 58.100 -0.123 0.000 1.052 475 Y CB 1.490 39.826 38.460 -0.207 0.000 1.215 475 Y HN 0.164 nan 8.280 nan 0.000 0.451 476 I N 4.548 125.054 120.570 -0.106 0.000 2.328 476 I HA 0.251 4.421 4.170 -0.000 0.000 0.287 476 I C -0.849 175.141 176.117 -0.213 0.000 1.012 476 I CA -0.324 60.926 61.300 -0.085 0.000 1.195 476 I CB 0.358 38.334 38.000 -0.039 0.000 1.350 476 I HN 0.387 nan 8.210 nan 0.000 0.464 477 F N 3.929 123.804 119.950 -0.126 0.000 2.371 477 F HA 0.440 4.967 4.527 -0.000 0.000 0.329 477 F C 0.862 176.564 175.800 -0.164 0.000 1.107 477 F CA 0.198 58.066 58.000 -0.221 0.000 1.137 477 F CB 1.490 40.205 39.000 -0.476 0.000 1.214 477 F HN 0.323 nan 8.300 nan 0.000 0.536 478 S N 2.081 117.857 115.700 0.126 0.000 2.569 478 S HA 0.822 5.292 4.470 -0.000 0.000 0.280 478 S C -1.988 172.781 174.600 0.282 0.000 1.111 478 S CA -0.532 57.747 58.200 0.132 0.000 0.887 478 S CB 1.397 64.636 63.200 0.065 0.000 1.095 478 S HN 0.521 nan 8.310 nan 0.000 0.476 479 L N 3.102 124.458 121.223 0.221 0.000 2.513 479 L HA 0.580 4.920 4.340 -0.000 0.000 0.261 479 L C -1.654 175.315 176.870 0.164 0.000 0.945 479 L CA 0.019 55.010 54.840 0.253 0.000 0.848 479 L CB 1.963 44.226 42.059 0.340 0.000 1.334 479 L HN 0.785 nan 8.230 nan 0.000 0.407 480 Q N 3.592 123.490 119.800 0.163 0.000 2.372 480 Q HA 0.867 5.207 4.340 -0.000 0.000 0.273 480 Q C -1.327 174.782 176.000 0.181 0.000 1.078 480 Q CA -0.966 54.918 55.803 0.136 0.000 0.806 480 Q CB 3.314 32.112 28.738 0.100 0.000 1.332 480 Q HN 0.602 nan 8.270 nan 0.000 0.435 481 V N -0.986 119.032 119.914 0.173 0.000 3.114 481 V HA 0.654 4.774 4.120 -0.000 0.000 0.308 481 V C -2.055 174.179 176.094 0.234 0.000 1.168 481 V CA -0.778 61.661 62.300 0.231 0.000 1.015 481 V CB 2.101 34.059 31.823 0.224 0.000 1.050 481 V HN 0.836 nan 8.190 nan 0.000 0.433 482 Y N 2.449 122.838 120.300 0.149 0.000 2.363 482 Y HA 0.794 5.344 4.550 -0.000 0.000 0.325 482 Y C 0.491 176.452 175.900 0.101 0.000 0.984 482 Y CA 0.038 58.187 58.100 0.082 0.000 1.248 482 Y CB 1.818 40.295 38.460 0.029 0.000 1.116 482 Y HN 1.039 nan 8.280 nan 0.000 0.470 483 G N 2.738 111.260 108.800 -0.462 0.000 4.238 483 G HA2 0.280 4.240 3.960 -0.000 0.000 0.292 483 G HA3 0.280 4.240 3.960 -0.000 0.000 0.292 483 G C -0.891 173.883 174.900 -0.210 0.000 1.036 483 G CA 0.115 45.016 45.100 -0.332 0.000 0.812 483 G HN 0.624 nan 8.290 nan 0.000 0.489 484 S N -0.626 114.945 115.700 -0.214 0.000 2.614 484 S HA 0.834 5.304 4.470 -0.000 0.000 0.275 484 S C -0.377 174.141 174.600 -0.135 0.000 1.161 484 S CA 0.166 58.263 58.200 -0.170 0.000 0.969 484 S CB 1.786 64.874 63.200 -0.187 0.000 1.059 484 S HN 1.028 nan 8.310 nan 0.000 0.482 485 G N 2.197 110.982 108.800 -0.026 0.000 2.623 485 G HA2 0.634 4.594 3.960 -0.000 0.000 0.290 485 G HA3 0.634 4.594 3.960 -0.000 0.000 0.290 485 G C -2.239 172.670 174.900 0.016 0.000 1.437 485 G CA -0.726 44.370 45.100 -0.007 0.000 0.798 485 G HN 0.881 nan 8.290 nan 0.000 0.488 486 L N 0.181 121.424 121.223 0.033 0.000 2.455 486 L HA 0.540 4.880 4.340 -0.000 0.000 0.264 486 L C -1.421 175.508 176.870 0.098 0.000 0.968 486 L CA -0.650 54.216 54.840 0.043 0.000 0.827 486 L CB 2.917 45.032 42.059 0.093 0.000 1.317 486 L HN 0.591 nan 8.230 nan 0.000 0.407 487 F N 2.458 122.323 119.950 -0.141 0.000 2.444 487 F HA 0.556 5.082 4.527 -0.001 0.000 0.342 487 F C -1.125 174.528 175.800 -0.244 0.000 1.121 487 F CA -0.574 57.375 58.000 -0.084 0.000 0.997 487 F CB 1.070 40.037 39.000 -0.055 0.000 1.130 487 F HN 0.301 nan 8.300 nan 0.000 0.454 488 Y N 6.248 126.825 120.300 0.461 0.000 2.376 488 Y HA 0.564 5.114 4.550 -0.000 0.000 0.340 488 Y C -1.056 174.989 175.900 0.241 0.000 0.965 488 Y CA -1.084 57.151 58.100 0.225 0.000 1.078 488 Y CB 2.038 40.551 38.460 0.089 0.000 1.193 488 Y HN 0.473 nan 8.280 nan 0.000 0.452 489 L N 4.284 125.614 121.223 0.179 0.000 2.376 489 L HA 0.526 4.866 4.340 -0.000 0.000 0.275 489 L C -0.470 176.463 176.870 0.104 0.000 0.987 489 L CA -0.479 54.400 54.840 0.064 0.000 0.828 489 L CB 1.127 43.016 42.059 -0.283 0.000 1.249 489 L HN 0.725 nan 8.230 nan 0.000 0.409 490 N N 3.651 122.438 118.700 0.145 0.000 2.725 490 N HA -0.237 4.503 4.740 -0.000 0.000 0.251 490 N C -0.312 175.261 175.510 0.106 0.000 1.031 490 N CA 1.319 54.439 53.050 0.117 0.000 0.720 490 N CB -0.980 37.580 38.487 0.122 0.000 0.930 490 N HN 0.861 nan 8.380 nan 0.000 0.543 491 D N -1.665 118.817 120.400 0.137 0.000 2.911 491 D HA -0.237 4.403 4.640 -0.000 0.000 0.227 491 D C 0.125 176.558 176.300 0.222 0.000 1.164 491 D CA 1.753 55.839 54.000 0.143 0.000 0.782 491 D CB -0.806 40.022 40.800 0.046 0.000 1.094 491 D HN 0.906 nan 8.370 nan 0.000 0.425 492 E N 0.005 120.337 120.200 0.220 0.000 2.222 492 E HA 0.463 4.813 4.350 -0.000 0.000 0.267 492 E C -0.407 176.220 176.600 0.045 0.000 0.884 492 E CA -1.073 55.412 56.400 0.141 0.000 0.764 492 E CB 1.838 31.572 29.700 0.056 0.000 1.169 492 E HN 0.046 nan 8.360 nan 0.000 0.413 493 L N 5.499 126.660 121.223 -0.104 0.000 2.418 493 L HA 0.217 4.557 4.340 -0.000 0.000 0.274 493 L C 0.205 176.921 176.870 -0.258 0.000 1.135 493 L CA 0.400 54.973 54.840 -0.445 0.000 0.870 493 L CB 0.429 42.217 42.059 -0.451 0.000 1.154 493 L HN 0.894 nan 8.230 nan 0.000 0.462 494 I N 2.683 123.089 120.570 -0.272 0.000 3.883 494 I HA 0.420 4.590 4.170 -0.000 0.000 0.305 494 I C 0.068 176.065 176.117 -0.200 0.000 1.247 494 I CA 0.088 61.245 61.300 -0.239 0.000 1.350 494 I CB 0.317 38.106 38.000 -0.352 0.000 1.194 494 I HN 0.383 nan 8.210 nan 0.000 0.441 495 I N 1.700 122.168 120.570 -0.170 0.000 2.534 495 I HA 0.346 4.515 4.170 -0.000 0.000 0.288 495 I C -0.921 175.171 176.117 -0.041 0.000 1.077 495 I CA -0.591 60.664 61.300 -0.075 0.000 1.051 495 I CB 2.190 40.177 38.000 -0.023 0.000 1.234 495 I HN 0.083 nan 8.210 nan 0.000 0.425 512 T N 0.592 115.215 114.554 0.114 0.000 2.813 512 T HA 0.364 4.714 4.350 -0.000 0.000 0.297 512 T C 1.008 175.738 174.700 0.051 0.000 1.036 512 T CA 0.085 62.226 62.100 0.068 0.000 1.044 512 T CB 0.295 69.202 68.868 0.065 0.000 0.993 512 T HN 0.457 nan 8.240 nan 0.000 0.535 513 K N 1.245 121.666 120.400 0.035 0.000 2.118 513 K HA 0.188 4.508 4.320 -0.000 0.000 0.240 513 K C 0.245 176.868 176.600 0.037 0.000 1.035 513 K CA -0.365 55.937 56.287 0.026 0.000 0.899 513 K CB 0.360 32.870 32.500 0.017 0.000 1.085 513 K HN 0.608 nan 8.250 nan 0.000 0.498 514 E N 1.409 121.628 120.200 0.032 0.000 2.289 514 E HA 0.041 4.390 4.350 -0.000 0.000 0.278 514 E C -0.853 175.773 176.600 0.043 0.000 1.032 514 E CA -0.246 56.180 56.400 0.043 0.000 0.854 514 E CB 0.680 30.402 29.700 0.037 0.000 1.046 514 E HN 0.250 nan 8.360 nan 0.000 0.409 515 R N 2.609 123.140 120.500 0.052 0.000 2.534 515 R HA 0.332 4.672 4.340 -0.000 0.000 0.301 515 R C -0.730 175.593 176.300 0.039 0.000 0.961 515 R CA -0.685 55.439 56.100 0.041 0.000 0.871 515 R CB 1.973 32.295 30.300 0.036 0.000 1.170 515 R HN 0.626 nan 8.270 nan 0.000 0.446 516 T N -0.635 113.934 114.554 0.025 0.000 2.912 516 T HA 0.569 4.919 4.350 -0.000 0.000 0.288 516 T C -0.573 174.125 174.700 -0.003 0.000 1.030 516 T CA -1.027 61.083 62.100 0.017 0.000 1.020 516 T CB 2.290 71.174 68.868 0.027 0.000 1.056 516 T HN 0.289 nan 8.240 nan 0.000 0.480 517 K N 1.095 121.488 120.400 -0.012 0.000 2.507 517 K HA 0.442 4.762 4.320 -0.000 0.000 0.252 517 K C -1.003 175.621 176.600 0.039 0.000 0.943 517 K CA -0.682 55.595 56.287 -0.016 0.000 0.808 517 K CB 1.723 34.172 32.500 -0.086 0.000 1.142 517 K HN 0.738 nan 8.250 nan 0.000 0.426 518 K N 5.009 125.434 120.400 0.041 0.000 2.258 518 K HA 0.460 4.780 4.320 -0.000 0.000 0.284 518 K C -1.077 175.573 176.600 0.082 0.000 1.051 518 K CA -0.384 55.945 56.287 0.069 0.000 0.923 518 K CB 0.427 32.956 32.500 0.048 0.000 1.046 518 K HN 0.575 nan 8.250 nan 0.000 0.474 519 L N 2.671 123.978 121.223 0.139 0.000 2.409 519 L HA 0.377 4.717 4.340 -0.000 0.000 0.262 519 L C -0.473 176.485 176.870 0.146 0.000 0.992 519 L CA -1.067 53.844 54.840 0.118 0.000 0.817 519 L CB 2.438 44.550 42.059 0.088 0.000 1.350 519 L HN 0.608 nan 8.230 nan 0.000 0.411 520 T N 2.454 117.077 114.554 0.114 0.000 2.856 520 T HA 0.626 4.976 4.350 -0.000 0.000 0.292 520 T C -0.260 174.514 174.700 0.124 0.000 0.980 520 T CA -0.259 61.920 62.100 0.132 0.000 1.091 520 T CB 1.203 70.135 68.868 0.106 0.000 0.936 520 T HN 0.109 nan 8.240 nan 0.000 0.503 521 L N 1.564 122.875 121.223 0.146 0.000 2.161 521 L HA 0.701 5.041 4.340 -0.000 0.000 0.248 521 L C -0.213 176.762 176.870 0.175 0.000 1.088 521 L CA -0.923 53.975 54.840 0.098 0.000 0.987 521 L CB 1.149 43.097 42.059 -0.184 0.000 1.563 521 L HN 0.498 nan 8.230 nan 0.000 0.472 522 K N 0.878 121.397 120.400 0.199 0.000 2.581 522 K HA 0.263 4.583 4.320 -0.000 0.000 0.249 522 K C -0.977 175.699 176.600 0.127 0.000 0.966 522 K CA -0.697 55.687 56.287 0.161 0.000 0.811 522 K CB 1.701 34.291 32.500 0.151 0.000 1.223 522 K HN 0.512 nan 8.250 nan 0.000 0.438 523 K N 2.056 122.517 120.400 0.102 0.000 2.578 523 K HA -0.135 4.185 4.320 -0.000 0.000 0.279 523 K C 0.810 177.438 176.600 0.046 0.000 0.983 523 K CA 2.213 58.540 56.287 0.067 0.000 1.078 523 K CB -0.024 32.517 32.500 0.069 0.000 0.852 523 K HN 0.847 nan 8.250 nan 0.000 0.490 524 G N 2.265 111.074 108.800 0.016 0.000 2.363 524 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.238 524 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.238 524 G C 0.089 174.991 174.900 0.003 0.000 1.062 524 G CA 0.481 45.584 45.100 0.005 0.000 0.629 524 G HN 0.721 nan 8.290 nan 0.000 0.514 525 Q N 0.962 120.783 119.800 0.035 0.000 2.311 525 Q HA 0.465 4.805 4.340 -0.000 0.000 0.272 525 Q C 0.114 176.116 176.000 0.003 0.000 1.012 525 Q CA -0.254 55.545 55.803 -0.006 0.000 0.891 525 Q CB 0.872 29.605 28.738 -0.008 0.000 1.201 525 Q HN 0.284 nan 8.270 nan 0.000 0.391 526 V N 5.806 125.655 119.914 -0.108 0.000 2.461 526 V HA 0.202 4.321 4.120 -0.000 0.000 0.275 526 V C -0.703 175.290 176.094 -0.169 0.000 1.047 526 V CA -0.110 62.163 62.300 -0.044 0.000 0.955 526 V CB 0.077 31.880 31.823 -0.034 0.000 0.988 526 V HN 0.652 nan 8.190 nan 0.000 0.471 527 Y N 2.733 123.072 120.300 0.064 0.000 2.549 527 Y HA 0.492 5.042 4.550 -0.000 0.000 0.339 527 Y C 0.536 176.500 175.900 0.108 0.000 1.053 527 Y CA -1.076 57.077 58.100 0.089 0.000 1.105 527 Y CB 1.544 40.078 38.460 0.122 0.000 1.258 527 Y HN 0.470 nan 8.280 nan 0.000 0.478 528 N N 1.653 120.489 118.700 0.226 0.000 2.425 528 N HA 0.355 5.095 4.740 -0.000 0.000 0.268 528 N C -1.246 174.381 175.510 0.196 0.000 0.991 528 N CA -0.356 52.795 53.050 0.168 0.000 0.931 528 N CB 1.833 40.379 38.487 0.098 0.000 1.130 528 N HN 0.431 nan 8.380 nan 0.000 0.493 529 V N 0.814 120.847 119.914 0.199 0.000 2.427 529 V HA 0.646 4.766 4.120 -0.000 0.000 0.286 529 V C 0.224 176.371 176.094 0.088 0.000 1.034 529 V CA -0.834 61.587 62.300 0.202 0.000 0.893 529 V CB 1.343 33.308 31.823 0.237 0.000 0.982 529 V HN 0.620 nan 8.190 nan 0.000 0.452 530 R N 3.201 123.738 120.500 0.061 0.000 2.510 530 R HA 0.710 5.050 4.340 -0.000 0.000 0.287 530 R C -2.180 174.090 176.300 -0.051 0.000 1.084 530 R CA -0.444 55.657 56.100 0.000 0.000 0.934 530 R CB 2.311 32.617 30.300 0.010 0.000 1.201 530 R HN 0.706 nan 8.270 nan 0.000 0.431 531 V N 4.359 124.180 119.914 -0.155 0.000 2.409 531 V HA 0.348 4.467 4.120 -0.000 0.000 0.291 531 V C -0.508 175.512 176.094 -0.123 0.000 1.020 531 V CA -0.772 61.404 62.300 -0.206 0.000 0.848 531 V CB 1.693 33.285 31.823 -0.385 0.000 0.990 531 V HN 0.683 nan 8.190 nan 0.000 0.430 532 E N 4.407 124.593 120.200 -0.022 0.000 2.081 532 E HA 0.323 4.673 4.350 -0.000 0.000 0.281 532 E C -1.257 175.323 176.600 -0.034 0.000 0.986 532 E CA -0.305 56.089 56.400 -0.010 0.000 0.796 532 E CB 2.030 31.762 29.700 0.052 0.000 1.085 532 E HN 0.629 nan 8.360 nan 0.000 0.398 533 Y N 1.074 121.236 120.300 -0.230 0.000 2.485 533 Y HA 0.627 5.177 4.550 -0.001 0.000 0.345 533 Y C -0.220 175.602 175.900 -0.129 0.000 0.998 533 Y CA -0.821 57.072 58.100 -0.346 0.000 1.059 533 Y CB 1.962 39.915 38.460 -0.846 0.000 1.234 533 Y HN 0.442 nan 8.280 nan 0.000 0.461 534 G N 2.673 110.788 108.800 -1.142 0.000 2.542 534 G HA2 0.503 4.462 3.960 -0.000 0.000 0.311 534 G HA3 0.503 4.462 3.960 -0.000 0.000 0.311 534 G C -1.248 172.708 174.900 -1.575 0.000 1.298 534 G CA -0.817 43.626 45.100 -1.095 0.000 0.973 534 G HN 0.860 nan 8.290 nan 0.000 0.487 535 S N 0.437 115.329 115.700 -1.346 0.000 2.596 535 S HA 0.370 4.840 4.470 -0.000 0.000 0.260 535 S C 1.817 175.982 174.600 -0.725 0.000 1.336 535 S CA 0.160 57.726 58.200 -1.057 0.000 0.993 535 S CB 1.260 63.599 63.200 -1.435 0.000 0.923 535 S HN 1.137 nan 8.310 nan 0.000 0.567 536 G N 0.757 109.283 108.800 -0.456 0.000 2.462 536 G HA2 -0.076 3.883 3.960 -0.000 0.000 0.220 536 G HA3 -0.076 3.883 3.960 -0.000 0.000 0.220 536 G C -1.077 173.468 174.900 -0.592 0.000 1.121 536 G CA 0.478 45.273 45.100 -0.507 0.000 0.758 536 G HN 0.644 nan 8.290 nan 0.000 0.559 537 P HA 0.019 nan 4.420 nan 0.000 0.219 537 P C 1.620 178.689 177.300 -0.385 0.000 1.150 537 P CA 1.288 64.025 63.100 -0.605 0.000 0.814 537 P CB -0.115 30.836 31.700 -1.248 0.000 0.787 548 G N -2.041 106.957 108.800 0.330 0.000 2.369 548 G HA2 0.678 4.638 3.960 -0.000 0.000 0.293 548 G HA3 0.678 4.638 3.960 -0.000 0.000 0.293 548 G C 0.210 175.230 174.900 0.200 0.000 1.301 548 G CA 0.922 46.240 45.100 0.364 0.000 0.913 548 G HN 2.683 nan 8.290 nan 0.000 0.540 549 G N -1.640 107.297 108.800 0.228 0.000 2.312 549 G HA2 0.691 4.651 3.960 -0.000 0.000 0.347 549 G HA3 0.691 4.651 3.960 -0.000 0.000 0.347 549 G C -0.944 174.009 174.900 0.088 0.000 1.564 549 G CA 0.302 45.418 45.100 0.027 0.000 0.981 549 G HN 2.328 nan 8.290 nan 0.000 0.678 550 F N -1.304 118.497 119.950 -0.247 0.000 2.719 550 F HA 0.875 5.402 4.527 -0.001 0.000 0.309 550 F C -1.091 174.642 175.800 -0.112 0.000 1.138 550 F CA -1.133 56.748 58.000 -0.199 0.000 0.943 550 F CB 2.002 40.763 39.000 -0.398 0.000 1.304 550 F HN 0.720 nan 8.300 nan 0.000 0.445 551 Q N 2.514 122.335 119.800 0.036 0.000 2.274 551 Q HA 0.787 5.127 4.340 -0.000 0.000 0.268 551 Q C -2.014 174.072 176.000 0.143 0.000 1.015 551 Q CA -0.951 54.838 55.803 -0.024 0.000 0.775 551 Q CB 2.215 30.942 28.738 -0.018 0.000 1.256 551 Q HN 1.218 nan 8.270 nan 0.000 0.442 552 A N 2.645 125.550 122.820 0.142 0.000 2.303 552 A HA 0.891 5.210 4.320 -0.000 0.000 0.320 552 A C -0.322 177.366 177.584 0.173 0.000 1.192 552 A CA 0.030 52.196 52.037 0.214 0.000 0.821 552 A CB 1.421 20.469 19.000 0.081 0.000 1.188 552 A HN 0.798 nan 8.150 nan 0.000 0.492 553 G N -0.452 108.470 108.800 0.204 0.000 2.730 553 G HA2 0.662 4.622 3.960 -0.000 0.000 0.289 553 G HA3 0.662 4.622 3.960 -0.000 0.000 0.289 553 G C -1.512 173.390 174.900 0.002 0.000 1.341 553 G CA -0.591 44.545 45.100 0.060 0.000 0.932 553 G HN 1.407 nan 8.290 nan 0.000 0.481 554 V N -0.091 119.701 119.914 -0.203 0.000 2.971 554 V HA 0.814 4.934 4.120 -0.000 0.000 0.309 554 V C -1.412 174.482 176.094 -0.334 0.000 1.130 554 V CA -0.824 61.199 62.300 -0.461 0.000 0.964 554 V CB 1.981 33.192 31.823 -1.021 0.000 1.029 554 V HN 0.810 nan 8.190 nan 0.000 0.427 555 I N 3.649 124.033 120.570 -0.310 0.000 2.722 555 I HA 0.518 4.688 4.170 -0.000 0.000 0.295 555 I C -0.649 175.337 176.117 -0.217 0.000 1.161 555 I CA -0.970 60.185 61.300 -0.241 0.000 1.032 555 I CB 2.059 39.823 38.000 -0.393 0.000 1.244 555 I HN 0.733 nan 8.210 nan 0.000 0.421 556 K N 5.925 126.171 120.400 -0.256 0.000 2.419 556 K HA 0.404 4.724 4.320 -0.000 0.000 0.282 556 K C -0.350 176.156 176.600 -0.158 0.000 1.056 556 K CA 0.174 56.124 56.287 -0.562 0.000 1.035 556 K CB 0.681 32.953 32.500 -0.379 0.000 0.921 556 K HN 0.553 nan 8.250 nan 0.000 0.472 557 A N 5.280 127.981 122.820 -0.198 0.000 2.407 557 A HA 0.473 4.792 4.320 -0.000 0.000 0.248 557 A C 0.129 177.701 177.584 -0.021 0.000 1.082 557 A CA -0.347 51.688 52.037 -0.003 0.000 0.785 557 A CB -0.295 18.692 19.000 -0.021 0.000 1.020 557 A HN 0.863 nan 8.150 nan 0.000 0.489 558 I N -1.648 118.920 120.570 -0.002 0.000 3.002 558 I HA 0.583 4.753 4.170 -0.000 0.000 0.310 558 I C -0.896 175.176 176.117 -0.074 0.000 1.087 558 I CA -1.077 60.161 61.300 -0.103 0.000 1.017 558 I CB 2.131 39.961 38.000 -0.283 0.000 1.226 558 I HN 0.452 nan 8.210 nan 0.000 0.443 559 D N 2.545 122.898 120.400 -0.079 0.000 2.339 559 D HA 0.149 4.789 4.640 -0.000 0.000 0.241 559 D C 0.350 176.601 176.300 -0.081 0.000 1.183 559 D CA 0.106 54.071 54.000 -0.058 0.000 0.859 559 D CB 1.164 41.937 40.800 -0.044 0.000 1.067 559 D HN 0.523 nan 8.370 nan 0.000 0.484 560 D N 2.711 123.071 120.400 -0.067 0.000 2.097 560 D HA -0.148 4.491 4.640 -0.000 0.000 0.195 560 D C 1.042 177.303 176.300 -0.065 0.000 0.989 560 D CA 0.957 54.912 54.000 -0.076 0.000 0.827 560 D CB 0.253 41.029 40.800 -0.038 0.000 0.966 560 D HN 0.509 nan 8.370 nan 0.000 0.456 561 D N 0.186 120.560 120.400 -0.043 0.000 2.104 561 D HA -0.166 4.473 4.640 -0.000 0.000 0.194 561 D C 1.991 178.264 176.300 -0.046 0.000 0.994 561 D CA 1.008 54.986 54.000 -0.036 0.000 0.830 561 D CB -0.241 40.545 40.800 -0.023 0.000 0.959 561 D HN 0.219 nan 8.370 nan 0.000 0.452 562 E N 0.955 121.125 120.200 -0.050 0.000 2.072 562 E HA -0.195 4.155 4.350 -0.000 0.000 0.191 562 E C 1.809 178.367 176.600 -0.071 0.000 0.985 562 E CA 1.297 57.666 56.400 -0.052 0.000 0.801 562 E CB -0.139 29.533 29.700 -0.046 0.000 0.750 562 E HN 0.063 nan 8.360 nan 0.000 0.452 563 E N 0.222 120.365 120.200 -0.096 0.000 2.150 563 E HA -0.096 4.254 4.350 -0.000 0.000 0.193 563 E C 1.926 178.458 176.600 -0.113 0.000 0.985 563 E CA 1.284 57.608 56.400 -0.126 0.000 0.814 563 E CB -0.361 29.226 29.700 -0.187 0.000 0.752 563 E HN 0.482 nan 8.360 nan 0.000 0.466 564 I N 0.046 120.561 120.570 -0.093 0.000 2.202 564 I HA -0.255 3.915 4.170 -0.000 0.000 0.242 564 I C 2.600 178.677 176.117 -0.066 0.000 1.091 564 I CA 1.146 62.399 61.300 -0.078 0.000 1.368 564 I CB -0.250 37.715 38.000 -0.059 0.000 1.058 564 I HN 0.062 nan 8.210 nan 0.000 0.410 565 R N 0.445 120.912 120.500 -0.055 0.000 2.083 565 R HA -0.231 4.109 4.340 -0.000 0.000 0.237 565 R C 2.184 178.456 176.300 -0.046 0.000 1.137 565 R CA 2.011 58.084 56.100 -0.044 0.000 0.951 565 R CB -0.629 29.650 30.300 -0.035 0.000 0.851 565 R HN 0.345 nan 8.270 nan 0.000 0.434 566 N N 0.682 119.348 118.700 -0.056 0.000 2.069 566 N HA -0.165 4.575 4.740 -0.000 0.000 0.191 566 N C 1.576 177.047 175.510 -0.065 0.000 1.031 566 N CA 1.903 54.919 53.050 -0.057 0.000 0.852 566 N CB -0.190 38.255 38.487 -0.071 0.000 1.018 566 N HN 0.236 nan 8.380 nan 0.000 0.423 567 A N 0.167 122.934 122.820 -0.088 0.000 1.902 567 A HA 0.102 4.422 4.320 -0.000 0.000 0.217 567 A C 2.367 179.909 177.584 -0.069 0.000 1.181 567 A CA 1.887 53.865 52.037 -0.098 0.000 0.623 567 A CB -1.200 17.727 19.000 -0.120 0.000 0.818 567 A HN 0.455 nan 8.150 nan 0.000 0.443 568 A N -0.231 122.553 122.820 -0.059 0.000 1.877 568 A HA -0.189 4.130 4.320 -0.000 0.000 0.216 568 A C 1.940 179.510 177.584 -0.023 0.000 1.186 568 A CA 1.785 53.795 52.037 -0.045 0.000 0.620 568 A CB -0.587 18.387 19.000 -0.042 0.000 0.822 568 A HN 0.612 nan 8.150 nan 0.000 0.443 569 E N -0.298 119.890 120.200 -0.019 0.000 2.038 569 E HA -0.171 4.179 4.350 -0.000 0.000 0.195 569 E C 1.977 178.589 176.600 0.020 0.000 1.000 569 E CA 1.371 57.769 56.400 -0.005 0.000 0.803 569 E CB -0.295 29.400 29.700 -0.009 0.000 0.750 569 E HN 0.618 nan 8.360 nan 0.000 0.448 570 L N 0.276 121.514 121.223 0.024 0.000 2.083 570 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 570 L C 2.496 179.465 176.870 0.165 0.000 1.083 570 L CA 1.009 55.905 54.840 0.093 0.000 0.752 570 L CB -0.398 41.692 42.059 0.051 0.000 0.899 570 L HN 0.164 nan 8.230 nan 0.000 0.433 571 A N -0.076 122.777 122.820 0.055 0.000 1.930 571 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 571 A C 2.541 180.169 177.584 0.073 0.000 1.175 571 A CA 1.420 53.482 52.037 0.041 0.000 0.627 571 A CB -0.627 18.356 19.000 -0.028 0.000 0.815 571 A HN 0.375 nan 8.150 nan 0.000 0.443 572 A N -0.036 122.810 122.820 0.044 0.000 1.978 572 A HA -0.151 4.169 4.320 -0.000 0.000 0.220 572 A C 1.941 179.541 177.584 0.027 0.000 1.170 572 A CA 1.666 53.718 52.037 0.026 0.000 0.636 572 A CB -0.336 18.667 19.000 0.006 0.000 0.810 572 A HN 0.506 nan 8.150 nan 0.000 0.448 573 K N -0.778 119.650 120.400 0.046 0.000 2.404 573 K HA 0.118 4.437 4.320 -0.000 0.000 0.194 573 K C -0.537 175.951 176.600 -0.188 0.000 1.023 573 K CA 0.083 56.340 56.287 -0.050 0.000 1.094 573 K CB 0.056 32.512 32.500 -0.073 0.000 0.841 573 K HN 0.630 nan 8.250 nan 0.000 0.523 574 H N -0.386 118.680 119.070 -0.007 0.000 2.670 574 H HA 0.119 4.675 4.556 -0.000 0.000 0.361 574 H C 0.432 175.757 175.328 -0.005 0.000 1.169 574 H CA -0.686 55.362 56.048 -0.000 0.000 1.198 574 H CB 1.565 31.331 29.762 0.006 0.000 1.700 574 H HN -0.165 nan 8.280 nan 0.000 0.542 575 D N 1.012 121.475 120.400 0.105 0.000 2.092 575 D HA -0.091 4.549 4.640 -0.000 0.000 0.193 575 D C -0.122 176.208 176.300 0.050 0.000 0.994 575 D CA 1.651 55.684 54.000 0.053 0.000 0.828 575 D CB 0.304 41.129 40.800 0.041 0.000 0.963 575 D HN 0.398 nan 8.370 nan 0.000 0.450 576 K N -0.564 119.874 120.400 0.065 0.000 2.385 576 K HA 0.745 5.064 4.320 -0.000 0.000 0.248 576 K C -1.023 175.582 176.600 0.008 0.000 0.955 576 K CA -0.847 55.453 56.287 0.021 0.000 0.816 576 K CB 3.011 35.507 32.500 -0.007 0.000 1.250 576 K HN -0.067 nan 8.250 nan 0.000 0.434 577 A N 1.282 124.085 122.820 -0.029 0.000 2.365 577 A HA 0.660 4.979 4.320 -0.000 0.000 0.318 577 A C -1.006 176.544 177.584 -0.057 0.000 1.091 577 A CA -0.714 51.289 52.037 -0.057 0.000 0.763 577 A CB 1.321 20.278 19.000 -0.071 0.000 1.248 577 A HN 0.351 nan 8.150 nan 0.000 0.442 578 V N 2.775 122.664 119.914 -0.042 0.000 2.407 578 V HA 0.452 4.571 4.120 -0.000 0.000 0.291 578 V C -0.921 175.161 176.094 -0.019 0.000 1.018 578 V CA -0.389 61.893 62.300 -0.030 0.000 0.842 578 V CB 1.109 32.935 31.823 0.005 0.000 0.996 578 V HN 0.786 nan 8.190 nan 0.000 0.426 579 L N 7.165 128.358 121.223 -0.050 0.000 2.305 579 L HA 0.659 4.998 4.340 -0.000 0.000 0.284 579 L C -0.667 176.189 176.870 -0.023 0.000 1.013 579 L CA -0.000 54.807 54.840 -0.054 0.000 0.819 579 L CB 1.271 43.254 42.059 -0.127 0.000 1.227 579 L HN 0.462 nan 8.230 nan 0.000 0.417 580 I N 7.294 127.884 120.570 0.033 0.000 2.355 580 I HA 0.426 4.596 4.170 -0.000 0.000 0.288 580 I C 0.075 176.250 176.117 0.097 0.000 0.999 580 I CA -0.329 61.014 61.300 0.072 0.000 1.163 580 I CB 1.024 39.095 38.000 0.118 0.000 1.316 580 I HN 0.702 nan 8.210 nan 0.000 0.454 581 I N 2.283 122.919 120.570 0.110 0.000 3.457 581 I HA 1.076 5.246 4.170 -0.000 0.000 0.307 581 I C 0.241 176.476 176.117 0.197 0.000 1.138 581 I CA -0.793 60.598 61.300 0.152 0.000 0.974 581 I CB 2.378 40.475 38.000 0.161 0.000 1.324 581 I HN 0.629 nan 8.210 nan 0.000 0.485 582 G N 0.425 109.356 108.800 0.218 0.000 2.302 582 G HA2 0.150 4.110 3.960 -0.000 0.000 0.276 582 G HA3 0.150 4.110 3.960 -0.000 0.000 0.276 582 G C -1.351 173.676 174.900 0.211 0.000 1.316 582 G CA -0.615 44.623 45.100 0.230 0.000 0.988 582 G HN 0.722 nan 8.290 nan 0.000 0.479 583 L N 0.342 121.729 121.223 0.273 0.000 2.693 583 L HA 0.777 5.117 4.340 -0.000 0.000 0.253 583 L C 0.579 177.739 176.870 0.482 0.000 1.155 583 L CA -0.614 54.430 54.840 0.340 0.000 1.026 583 L CB 1.474 43.730 42.059 0.328 0.000 1.817 583 L HN 1.057 nan 8.230 nan 0.000 0.556 584 N N -2.460 116.545 118.700 0.507 0.000 3.179 584 N HA 0.159 4.898 4.740 -0.000 0.000 0.250 584 N C 0.089 175.598 175.510 -0.002 0.000 1.507 584 N CA -0.166 52.994 53.050 0.182 0.000 0.883 584 N CB 0.574 39.164 38.487 0.171 0.000 1.435 584 N HN 0.437 nan 8.380 nan 0.000 0.532 585 G N -1.123 107.524 108.800 -0.255 0.000 2.708 585 G HA2 -0.121 3.838 3.960 -0.000 0.000 0.210 585 G HA3 -0.121 3.838 3.960 -0.000 0.000 0.210 585 G C 0.485 175.283 174.900 -0.170 0.000 1.141 585 G CA 0.496 45.409 45.100 -0.312 0.000 0.788 585 G HN 0.671 nan 8.290 nan 0.000 0.531 586 E N -0.932 119.188 120.200 -0.134 0.000 2.216 586 E HA 0.005 4.355 4.350 -0.000 0.000 0.192 586 E C 1.867 178.411 176.600 -0.093 0.000 0.973 586 E CA 0.011 56.314 56.400 -0.161 0.000 0.851 586 E CB 0.025 29.541 29.700 -0.306 0.000 0.804 586 E HN 0.715 nan 8.360 nan 0.000 0.477 587 W N 1.706 123.080 121.300 0.123 0.000 2.476 587 W HA 0.056 4.716 4.660 -0.001 0.000 0.281 587 W C 0.674 177.286 176.519 0.155 0.000 1.230 587 W CA 0.015 57.469 57.345 0.181 0.000 1.287 587 W CB 0.480 30.033 29.460 0.155 0.000 1.108 587 W HN -0.181 nan 8.180 nan 0.000 0.567 588 E N 0.600 120.956 120.200 0.261 0.000 2.145 588 E HA 0.343 4.693 4.350 -0.000 0.000 0.262 588 E C -0.634 175.973 176.600 0.012 0.000 0.883 588 E CA -0.173 56.339 56.400 0.186 0.000 0.748 588 E CB 1.851 31.713 29.700 0.270 0.000 1.140 588 E HN -0.329 nan 8.360 nan 0.000 0.417 589 T N 1.508 116.058 114.554 -0.007 0.000 2.942 589 T HA 0.082 4.432 4.350 -0.000 0.000 0.327 589 T C -1.074 173.607 174.700 -0.032 0.000 1.360 589 T CA -0.804 61.269 62.100 -0.045 0.000 1.055 589 T CB 1.433 70.143 68.868 -0.262 0.000 1.261 589 T HN 0.539 nan 8.240 nan 0.000 0.485 590 E N 1.851 122.132 120.200 0.135 0.000 2.508 590 E HA 0.311 4.660 4.350 -0.000 0.000 0.266 590 E C 1.262 177.825 176.600 -0.063 0.000 1.010 590 E CA 1.534 57.971 56.400 0.063 0.000 0.955 590 E CB -0.211 29.568 29.700 0.132 0.000 0.946 590 E HN 1.164 nan 8.360 nan 0.000 0.454 591 G N 2.756 111.549 108.800 -0.012 0.000 2.308 591 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.221 591 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.221 591 G C -0.523 174.458 174.900 0.135 0.000 1.032 591 G CA 0.353 45.480 45.100 0.044 0.000 0.623 591 G HN 0.838 nan 8.290 nan 0.000 0.506 592 Y N 0.001 120.360 120.300 0.098 0.000 2.597 592 Y HA 0.768 5.317 4.550 -0.001 0.000 0.340 592 Y C -0.759 175.223 175.900 0.136 0.000 1.097 592 Y CA -1.624 56.533 58.100 0.094 0.000 1.037 592 Y CB 0.671 39.179 38.460 0.081 0.000 1.305 592 Y HN 0.010 nan 8.280 nan 0.000 0.463 593 D N 1.304 121.908 120.400 0.341 0.000 2.387 593 D HA 0.318 4.958 4.640 -0.000 0.000 0.251 593 D C -0.358 176.180 176.300 0.398 0.000 1.141 593 D CA -0.603 53.592 54.000 0.326 0.000 0.987 593 D CB 1.015 42.015 40.800 0.333 0.000 1.116 593 D HN 0.533 nan 8.370 nan 0.000 0.491 594 R N 0.514 121.211 120.500 0.327 0.000 2.641 594 R HA 0.090 4.429 4.340 -0.000 0.000 0.269 594 R C 1.001 177.432 176.300 0.218 0.000 1.074 594 R CA -0.056 56.216 56.100 0.287 0.000 1.133 594 R CB 0.846 31.268 30.300 0.204 0.000 1.029 594 R HN 0.485 nan 8.270 nan 0.000 0.488 595 E N 0.735 121.044 120.200 0.181 0.000 2.318 595 E HA -0.064 4.286 4.350 -0.000 0.000 0.193 595 E C -0.165 176.491 176.600 0.093 0.000 0.998 595 E CA 0.529 57.005 56.400 0.126 0.000 0.859 595 E CB 0.227 29.991 29.700 0.107 0.000 0.812 595 E HN 0.586 nan 8.360 nan 0.000 0.492 599 L N 1.486 122.648 121.223 -0.103 0.000 2.452 599 L HA 0.337 4.677 4.340 -0.000 0.000 0.267 599 L C -1.873 174.889 176.870 -0.180 0.000 1.188 599 L CA -1.113 53.671 54.840 -0.092 0.000 0.821 599 L CB 0.160 42.273 42.059 0.090 0.000 1.102 599 L HN 0.135 nan 8.230 nan 0.000 0.470 600 P HA 0.249 nan 4.420 nan 0.000 0.282 600 P C -0.510 176.714 177.300 -0.127 0.000 1.249 600 P CA -0.484 62.377 63.100 -0.399 0.000 0.806 600 P CB 1.090 32.403 31.700 -0.646 0.000 0.984 601 K N 0.864 121.216 120.400 -0.079 0.000 1.791 601 K HA -0.233 4.087 4.320 -0.000 0.000 0.140 601 K C 0.945 177.553 176.600 0.014 0.000 1.312 601 K CA 1.020 57.309 56.287 0.004 0.000 0.382 601 K CB -1.463 31.058 32.500 0.037 0.000 0.635 601 K HN 0.475 nan 8.250 nan 0.000 0.838 602 R N 1.660 122.177 120.500 0.028 0.000 2.388 602 R HA 0.125 4.464 4.340 -0.000 0.000 0.247 602 R C 1.770 178.095 176.300 0.042 0.000 0.931 602 R CA 0.597 56.715 56.100 0.029 0.000 1.082 602 R CB -0.136 30.172 30.300 0.013 0.000 1.135 602 R HN 0.539 nan 8.270 nan 0.000 0.525 603 T N 2.066 116.656 114.554 0.059 0.000 2.620 603 T HA -0.187 4.162 4.350 -0.000 0.000 0.267 603 T C 1.541 176.315 174.700 0.123 0.000 1.044 603 T CA 1.827 63.980 62.100 0.088 0.000 1.161 603 T CB -0.115 68.827 68.868 0.123 0.000 0.862 603 T HN 0.293 nan 8.240 nan 0.000 0.438 604 N N 0.618 119.435 118.700 0.195 0.000 2.223 604 N HA -0.075 4.665 4.740 -0.000 0.000 0.185 604 N C 1.905 177.520 175.510 0.174 0.000 1.016 604 N CA 0.870 54.116 53.050 0.326 0.000 0.863 604 N CB -0.297 38.395 38.487 0.341 0.000 0.983 604 N HN 0.580 nan 8.380 nan 0.000 0.429 605 E N 0.379 120.635 120.200 0.093 0.000 2.072 605 E HA -0.115 4.234 4.350 -0.000 0.000 0.190 605 E C 1.929 178.522 176.600 -0.011 0.000 0.982 605 E CA 0.332 56.758 56.400 0.042 0.000 0.803 605 E CB 0.008 29.724 29.700 0.028 0.000 0.755 605 E HN 0.101 nan 8.360 nan 0.000 0.453 606 L N 0.559 121.767 121.223 -0.024 0.000 2.012 606 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 606 L C 2.197 178.987 176.870 -0.134 0.000 1.073 606 L CA 1.549 56.349 54.840 -0.068 0.000 0.748 606 L CB -0.535 41.489 42.059 -0.059 0.000 0.891 606 L HN -0.007 nan 8.230 nan 0.000 0.431 607 V N -0.084 119.707 119.914 -0.205 0.000 2.358 607 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 607 V C 2.750 178.621 176.094 -0.372 0.000 1.047 607 V CA 2.024 64.053 62.300 -0.450 0.000 1.035 607 V CB -0.682 30.572 31.823 -0.948 0.000 0.658 607 V HN 0.457 nan 8.190 nan 0.000 0.452 608 R N 0.059 120.432 120.500 -0.211 0.000 2.081 608 R HA -0.126 4.213 4.340 -0.000 0.000 0.235 608 R C 2.450 178.702 176.300 -0.079 0.000 1.131 608 R CA 1.490 57.538 56.100 -0.087 0.000 0.960 608 R CB -0.600 29.719 30.300 0.032 0.000 0.856 608 R HN 0.537 nan 8.270 nan 0.000 0.436 609 A N 0.676 123.451 122.820 -0.075 0.000 1.877 609 A HA -0.118 4.201 4.320 -0.000 0.000 0.216 609 A C 2.359 179.895 177.584 -0.079 0.000 1.186 609 A CA 1.429 53.429 52.037 -0.062 0.000 0.620 609 A CB -0.544 18.422 19.000 -0.056 0.000 0.822 609 A HN 0.120 nan 8.150 nan 0.000 0.443 610 V N 0.107 119.953 119.914 -0.114 0.000 2.343 610 V HA -0.237 3.882 4.120 -0.000 0.000 0.247 610 V C 2.539 178.566 176.094 -0.111 0.000 1.051 610 V CA 1.874 64.104 62.300 -0.116 0.000 1.036 610 V CB -0.732 31.004 31.823 -0.145 0.000 0.654 610 V HN 0.558 nan 8.190 nan 0.000 0.451 611 L N -0.315 120.824 121.223 -0.139 0.000 2.093 611 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 611 L C 2.554 179.387 176.870 -0.062 0.000 1.085 611 L CA 1.687 56.460 54.840 -0.112 0.000 0.755 611 L CB -0.561 41.419 42.059 -0.131 0.000 0.904 611 L HN 0.302 nan 8.230 nan 0.000 0.435 612 K N 0.412 120.780 120.400 -0.052 0.000 2.057 612 K HA -0.162 4.158 4.320 -0.000 0.000 0.207 612 K C 2.106 178.689 176.600 -0.028 0.000 1.049 612 K CA 1.374 57.643 56.287 -0.030 0.000 0.931 612 K CB -0.054 32.432 32.500 -0.023 0.000 0.714 612 K HN 0.262 nan 8.250 nan 0.000 0.440 613 A N 0.546 123.345 122.820 -0.035 0.000 1.970 613 A HA -0.045 4.275 4.320 -0.000 0.000 0.216 613 A C 0.713 178.284 177.584 -0.022 0.000 1.170 613 A CA 0.903 52.925 52.037 -0.026 0.000 0.645 613 A CB -0.018 18.965 19.000 -0.028 0.000 0.816 613 A HN 0.369 nan 8.150 nan 0.000 0.447 614 N N -1.515 117.166 118.700 -0.032 0.000 2.629 614 N HA 0.271 5.011 4.740 -0.000 0.000 0.277 614 N C -2.896 172.591 175.510 -0.039 0.000 1.188 614 N CA -1.389 51.645 53.050 -0.027 0.000 0.835 614 N CB 1.549 40.025 38.487 -0.018 0.000 1.420 614 N HN -0.222 nan 8.380 nan 0.000 0.542 615 P HA 0.028 nan 4.420 nan 0.000 0.222 615 P C -0.210 177.068 177.300 -0.036 0.000 1.147 615 P CA 0.910 63.991 63.100 -0.032 0.000 0.790 615 P CB 0.238 31.927 31.700 -0.019 0.000 0.780 616 N N -0.308 118.371 118.700 -0.034 0.000 3.324 616 N HA 0.094 4.834 4.740 -0.000 0.000 0.302 616 N C -0.473 175.008 175.510 -0.049 0.000 1.360 616 N CA 0.402 53.429 53.050 -0.037 0.000 1.190 616 N CB -0.296 38.173 38.487 -0.028 0.000 1.462 616 N HN -0.025 nan 8.380 nan 0.000 0.532 617 T N 0.023 114.537 114.554 -0.066 0.000 2.794 617 T HA 0.256 4.606 4.350 -0.000 0.000 0.280 617 T C -0.070 174.571 174.700 -0.098 0.000 0.987 617 T CA -0.463 61.585 62.100 -0.086 0.000 0.993 617 T CB 2.263 71.063 68.868 -0.114 0.000 0.939 617 T HN -0.004 nan 8.240 nan 0.000 0.449 618 V N 5.899 125.756 119.914 -0.096 0.000 2.439 618 V HA 0.604 4.724 4.120 -0.000 0.000 0.282 618 V C -0.551 175.471 176.094 -0.119 0.000 1.039 618 V CA -0.648 61.591 62.300 -0.102 0.000 0.913 618 V CB 0.478 32.245 31.823 -0.094 0.000 0.983 618 V HN 0.804 nan 8.190 nan 0.000 0.460 619 I N 6.667 127.150 120.570 -0.145 0.000 2.377 619 I HA 0.449 4.619 4.170 -0.000 0.000 0.293 619 I C -0.598 175.440 176.117 -0.131 0.000 0.987 619 I CA -0.710 60.492 61.300 -0.163 0.000 1.185 619 I CB 1.923 39.771 38.000 -0.252 0.000 1.341 619 I HN 0.346 nan 8.210 nan 0.000 0.455 620 V N 5.496 125.363 119.914 -0.078 0.000 2.384 620 V HA 0.329 4.448 4.120 -0.000 0.000 0.287 620 V C -0.340 175.748 176.094 -0.009 0.000 1.020 620 V CA -0.689 61.577 62.300 -0.056 0.000 0.850 620 V CB 1.669 33.484 31.823 -0.014 0.000 0.987 620 V HN 0.715 nan 8.190 nan 0.000 0.436 621 N N 3.678 122.364 118.700 -0.022 0.000 2.372 621 N HA 0.436 5.175 4.740 -0.000 0.000 0.291 621 N C -0.796 174.739 175.510 0.041 0.000 1.024 621 N CA -0.475 52.626 53.050 0.084 0.000 0.873 621 N CB 1.587 40.212 38.487 0.229 0.000 1.206 621 N HN 0.700 nan 8.380 nan 0.000 0.486 622 Q N 1.668 121.531 119.800 0.104 0.000 2.325 622 Q HA 0.540 4.879 4.340 -0.000 0.000 0.262 622 Q C -1.161 174.851 176.000 0.019 0.000 0.968 622 Q CA -0.679 55.161 55.803 0.063 0.000 0.877 622 Q CB 1.457 30.325 28.738 0.216 0.000 1.253 622 Q HN 0.756 nan 8.270 nan 0.000 0.448 623 S N -0.515 115.046 115.700 -0.231 0.000 2.587 623 S HA 0.519 4.988 4.470 -0.000 0.000 0.269 623 S C 0.296 174.717 174.600 -0.297 0.000 1.154 623 S CA -0.497 57.555 58.200 -0.246 0.000 0.824 623 S CB 0.906 64.138 63.200 0.053 0.000 1.118 623 S HN 0.583 nan 8.310 nan 0.000 0.462 624 G N 0.382 109.131 108.800 -0.084 0.000 2.683 624 G HA2 0.428 4.387 3.960 -0.000 0.000 0.213 624 G HA3 0.428 4.387 3.960 -0.000 0.000 0.213 624 G C 0.471 175.619 174.900 0.413 0.000 1.142 624 G CA 0.805 46.080 45.100 0.292 0.000 0.793 624 G HN 1.373 nan 8.290 nan 0.000 0.534 625 T N -3.103 111.581 114.554 0.216 0.000 2.787 625 T HA 0.582 4.931 4.350 -0.000 0.000 0.297 625 T C -3.447 171.038 174.700 -0.359 0.000 1.221 625 T CA -1.769 60.357 62.100 0.044 0.000 1.006 625 T CB 2.271 71.157 68.868 0.032 0.000 1.328 625 T HN -0.226 nan 8.240 nan 0.000 0.509 626 P HA 0.433 nan 4.420 nan 0.000 0.272 626 P C -0.755 175.983 177.300 -0.936 0.000 1.223 626 P CA -0.486 61.587 63.100 -1.712 0.000 0.784 626 P CB 0.602 31.372 31.700 -1.550 0.000 0.923 627 V N -1.138 118.269 119.914 -0.846 0.000 2.962 627 V HA 0.513 4.632 4.120 -0.000 0.000 0.313 627 V C -0.313 175.430 176.094 -0.586 0.000 1.099 627 V CA -1.211 60.794 62.300 -0.493 0.000 0.971 627 V CB 1.870 33.529 31.823 -0.273 0.000 1.028 627 V HN 0.462 nan 8.190 nan 0.000 0.430 628 E N 1.775 121.728 120.200 -0.412 0.000 2.360 628 E HA 0.335 4.685 4.350 -0.000 0.000 0.269 628 E C -1.558 174.758 176.600 -0.473 0.000 1.022 628 E CA -0.471 55.720 56.400 -0.347 0.000 0.887 628 E CB 0.668 30.248 29.700 -0.200 0.000 0.990 628 E HN 0.611 nan 8.360 nan 0.000 0.426 629 F N 6.891 126.686 119.950 -0.260 0.000 2.310 629 F HA 0.275 4.801 4.527 -0.000 0.000 0.365 629 F C -1.597 173.647 175.800 -0.926 0.000 1.080 629 F CA -2.501 54.950 58.000 -0.914 0.000 1.187 629 F CB 1.317 39.715 39.000 -1.005 0.000 1.465 629 F HN 0.450 nan 8.300 nan 0.000 0.496 630 P HA -0.120 nan 4.420 nan 0.000 0.221 630 P C 1.225 178.409 177.300 -0.194 0.000 1.150 630 P CA 1.197 64.115 63.100 -0.303 0.000 0.800 630 P CB 0.011 31.621 31.700 -0.151 0.000 0.787 631 W N -0.889 120.484 121.300 0.121 0.000 3.345 631 W HA 0.230 4.890 4.660 -0.000 0.000 0.282 631 W C 1.035 177.598 176.519 0.073 0.000 1.302 631 W CA -0.679 56.711 57.345 0.074 0.000 1.724 631 W CB -1.177 28.316 29.460 0.055 0.000 1.104 631 W HN -0.166 nan 8.180 nan 0.000 0.694 632 L N 2.187 123.479 121.223 0.115 0.000 2.051 632 L HA -0.254 4.085 4.340 -0.000 0.000 0.214 632 L C 2.444 179.441 176.870 0.212 0.000 1.076 632 L CA 2.095 57.050 54.840 0.190 0.000 0.758 632 L CB -0.845 41.272 42.059 0.096 0.000 0.890 632 L HN 0.028 nan 8.230 nan 0.000 0.433 633 E N -1.032 119.254 120.200 0.143 0.000 2.209 633 E HA -0.213 4.137 4.350 -0.000 0.000 0.196 633 E C 1.001 177.667 176.600 0.110 0.000 0.993 633 E CA 1.243 57.700 56.400 0.095 0.000 0.819 633 E CB 0.050 29.780 29.700 0.050 0.000 0.745 633 E HN 0.619 nan 8.360 nan 0.000 0.477 634 D N -0.668 119.827 120.400 0.158 0.000 2.349 634 D HA 0.079 4.718 4.640 -0.000 0.000 0.214 634 D C -0.214 176.146 176.300 0.100 0.000 1.063 634 D CA 0.108 54.175 54.000 0.113 0.000 0.847 634 D CB 0.546 41.411 40.800 0.109 0.000 0.933 634 D HN 0.015 nan 8.370 nan 0.000 0.513 635 A N 0.759 123.677 122.820 0.163 0.000 2.302 635 A HA 0.277 4.596 4.320 -0.000 0.000 0.295 635 A C 0.767 178.387 177.584 0.059 0.000 1.235 635 A CA -0.402 51.694 52.037 0.100 0.000 0.876 635 A CB 0.044 19.183 19.000 0.231 0.000 1.133 635 A HN 0.027 nan 8.150 nan 0.000 0.533 636 N N 1.133 119.839 118.700 0.009 0.000 2.405 636 N HA 0.284 5.024 4.740 -0.000 0.000 0.175 636 N C 0.226 175.734 175.510 -0.003 0.000 1.051 636 N CA 0.677 53.733 53.050 0.010 0.000 0.899 636 N CB 0.372 38.857 38.487 -0.004 0.000 1.000 636 N HN 0.723 nan 8.380 nan 0.000 0.451 637 A N 0.982 123.783 122.820 -0.032 0.000 2.427 637 A HA 0.666 4.986 4.320 -0.000 0.000 0.298 637 A C -1.806 175.725 177.584 -0.089 0.000 1.036 637 A CA -0.398 51.609 52.037 -0.050 0.000 0.701 637 A CB 1.331 20.297 19.000 -0.057 0.000 1.250 637 A HN 0.083 nan 8.150 nan 0.000 0.412 638 L N 2.698 123.850 121.223 -0.119 0.000 2.505 638 L HA 0.745 5.085 4.340 -0.000 0.000 0.266 638 L C -1.733 174.986 176.870 -0.252 0.000 0.954 638 L CA -0.248 54.470 54.840 -0.202 0.000 0.852 638 L CB 2.191 44.106 42.059 -0.240 0.000 1.282 638 L HN 0.514 nan 8.230 nan 0.000 0.403 639 V N 3.849 123.614 119.914 -0.249 0.000 2.588 639 V HA 0.556 4.676 4.120 -0.000 0.000 0.304 639 V C -0.703 175.219 176.094 -0.287 0.000 1.042 639 V CA -0.565 61.592 62.300 -0.239 0.000 0.877 639 V CB 1.788 33.524 31.823 -0.146 0.000 0.996 639 V HN 0.808 nan 8.190 nan 0.000 0.425 640 Q N 3.452 123.024 119.800 -0.379 0.000 2.340 640 Q HA 0.681 5.020 4.340 -0.000 0.000 0.259 640 Q C 0.244 175.964 176.000 -0.467 0.000 0.964 640 Q CA 0.275 55.773 55.803 -0.508 0.000 0.900 640 Q CB 1.684 29.946 28.738 -0.794 0.000 1.228 640 Q HN 0.867 nan 8.270 nan 0.000 0.449 641 A N 4.018 126.650 122.820 -0.314 0.000 2.252 641 A HA 0.349 4.668 4.320 -0.000 0.000 0.213 641 A C -0.361 177.274 177.584 0.083 0.000 1.188 641 A CA -0.001 51.995 52.037 -0.069 0.000 0.863 641 A CB -0.474 18.537 19.000 0.018 0.000 0.893 641 A HN 0.937 nan 8.150 nan 0.000 0.495 642 W N -2.547 118.753 121.300 -0.000 0.000 2.871 642 W HA -0.299 4.361 4.660 -0.001 0.000 0.245 642 W C -0.472 175.964 176.519 -0.139 0.000 0.596 642 W CA 0.732 58.019 57.345 -0.097 0.000 0.545 642 W CB -1.233 28.230 29.460 0.005 0.000 2.089 642 W HN 0.242 nan 8.180 nan 0.000 0.386 643 Y N 1.417 121.946 120.300 0.380 0.000 2.388 643 Y HA 0.522 5.072 4.550 -0.000 0.000 0.328 643 Y C 1.011 177.027 175.900 0.194 0.000 0.963 643 Y CA -0.948 57.282 58.100 0.215 0.000 1.240 643 Y CB 0.980 39.522 38.460 0.138 0.000 1.118 643 Y HN 0.494 nan 8.280 nan 0.000 0.484 644 G N 1.373 110.356 108.800 0.306 0.000 2.985 644 G HA2 0.381 4.341 3.960 -0.000 0.000 0.209 644 G HA3 0.381 4.341 3.960 -0.000 0.000 0.209 644 G C 0.930 175.914 174.900 0.141 0.000 1.165 644 G CA 0.356 45.583 45.100 0.213 0.000 0.776 644 G HN 1.098 nan 8.290 nan 0.000 0.541 645 G N 0.718 109.592 108.800 0.123 0.000 2.601 645 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.252 645 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.252 645 G C 0.839 175.722 174.900 -0.028 0.000 1.294 645 G CA 0.194 45.312 45.100 0.032 0.000 0.912 645 G HN 0.236 nan 8.290 nan 0.000 0.574 646 N N 0.952 119.570 118.700 -0.137 0.000 2.149 646 N HA -0.031 4.708 4.740 -0.000 0.000 0.188 646 N C 1.658 177.160 175.510 -0.014 0.000 1.019 646 N CA 1.703 54.622 53.050 -0.218 0.000 0.857 646 N CB -0.042 38.136 38.487 -0.515 0.000 0.997 646 N HN 0.581 nan 8.380 nan 0.000 0.426 647 E N 0.504 120.728 120.200 0.039 0.000 2.437 647 E HA 0.062 4.411 4.350 -0.000 0.000 0.195 647 E C 1.479 178.143 176.600 0.107 0.000 1.029 647 E CA -0.189 56.288 56.400 0.127 0.000 0.948 647 E CB 0.049 29.812 29.700 0.105 0.000 1.082 647 E HN 0.368 nan 8.360 nan 0.000 0.456 648 L N -1.882 119.402 121.223 0.102 0.000 2.042 648 L HA -0.015 4.325 4.340 -0.000 0.000 0.210 648 L C 1.957 178.897 176.870 0.115 0.000 1.076 648 L CA 2.431 57.341 54.840 0.116 0.000 0.749 648 L CB -1.138 41.002 42.059 0.135 0.000 0.893 648 L HN 0.039 nan 8.230 nan 0.000 0.432 649 G N -0.797 108.072 108.800 0.115 0.000 2.430 649 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.216 649 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.216 649 G C 1.378 176.331 174.900 0.088 0.000 1.146 649 G CA 0.495 45.658 45.100 0.105 0.000 0.793 649 G HN 0.440 nan 8.290 nan 0.000 0.537 650 N N 1.274 120.025 118.700 0.084 0.000 2.244 650 N HA -0.033 4.706 4.740 -0.000 0.000 0.183 650 N C 2.460 178.016 175.510 0.076 0.000 1.016 650 N CA 1.094 54.184 53.050 0.067 0.000 0.866 650 N CB -0.279 38.244 38.487 0.059 0.000 0.980 650 N HN 0.293 nan 8.380 nan 0.000 0.430 651 A N 1.037 123.907 122.820 0.083 0.000 1.898 651 A HA -0.024 4.295 4.320 -0.000 0.000 0.216 651 A C 2.322 179.956 177.584 0.084 0.000 1.181 651 A CA 0.765 52.851 52.037 0.082 0.000 0.620 651 A CB -0.556 18.496 19.000 0.087 0.000 0.819 651 A HN 0.175 nan 8.150 nan 0.000 0.442 652 I N -0.233 120.391 120.570 0.090 0.000 2.179 652 I HA -0.276 3.893 4.170 -0.000 0.000 0.242 652 I C 2.988 179.168 176.117 0.105 0.000 1.088 652 I CA 1.057 62.408 61.300 0.084 0.000 1.357 652 I CB -0.292 37.759 38.000 0.086 0.000 1.051 652 I HN 0.352 nan 8.210 nan 0.000 0.409 653 A N 0.421 123.318 122.820 0.127 0.000 1.908 653 A HA -0.274 4.046 4.320 -0.000 0.000 0.218 653 A C 1.969 179.691 177.584 0.230 0.000 1.181 653 A CA 2.202 54.360 52.037 0.201 0.000 0.627 653 A CB -0.702 18.372 19.000 0.123 0.000 0.818 653 A HN 0.359 nan 8.150 nan 0.000 0.445 654 D N -0.401 120.086 120.400 0.144 0.000 2.133 654 D HA -0.123 4.516 4.640 -0.000 0.000 0.195 654 D C 2.029 178.415 176.300 0.143 0.000 0.997 654 D CA 1.560 55.641 54.000 0.135 0.000 0.840 654 D CB -0.340 40.514 40.800 0.091 0.000 0.947 654 D HN 0.246 nan 8.370 nan 0.000 0.452 655 V N 0.698 120.675 119.914 0.105 0.000 2.346 655 V HA -0.137 3.983 4.120 -0.000 0.000 0.244 655 V C 2.617 178.785 176.094 0.122 0.000 1.037 655 V CA 0.807 63.147 62.300 0.067 0.000 1.029 655 V CB -0.330 31.489 31.823 -0.006 0.000 0.663 655 V HN 0.186 nan 8.190 nan 0.000 0.454 656 L N -1.355 119.911 121.223 0.072 0.000 2.127 656 L HA -0.199 4.141 4.340 -0.000 0.000 0.211 656 L C 2.131 178.848 176.870 -0.255 0.000 1.089 656 L CA 1.814 56.611 54.840 -0.072 0.000 0.757 656 L CB -0.405 41.569 42.059 -0.142 0.000 0.899 656 L HN 0.385 nan 8.230 nan 0.000 0.434 657 Y N -0.999 119.345 120.300 0.073 0.000 2.458 657 Y HA 0.233 4.783 4.550 -0.000 0.000 0.256 657 Y C 1.741 177.694 175.900 0.088 0.000 1.159 657 Y CA 0.426 58.556 58.100 0.051 0.000 1.261 657 Y CB 0.682 39.167 38.460 0.041 0.000 1.119 657 Y HN 0.202 nan 8.280 nan 0.000 0.524 658 G N 0.004 108.944 108.800 0.232 0.000 2.159 658 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.256 658 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.256 658 G C 0.769 175.828 174.900 0.265 0.000 0.977 658 G CA 0.623 45.883 45.100 0.267 0.000 0.652 658 G HN 0.366 nan 8.290 nan 0.000 0.531 659 D N -0.435 120.098 120.400 0.221 0.000 2.224 659 D HA 0.084 4.723 4.640 -0.000 0.000 0.205 659 D C 1.219 177.605 176.300 0.143 0.000 0.965 659 D CA 1.108 55.212 54.000 0.173 0.000 0.852 659 D CB 0.363 41.242 40.800 0.132 0.000 0.947 659 D HN 0.373 nan 8.370 nan 0.000 0.494 660 V N 1.622 121.609 119.914 0.122 0.000 2.417 660 V HA 0.189 4.309 4.120 -0.000 0.000 0.291 660 V C 0.188 176.295 176.094 0.023 0.000 1.024 660 V CA -0.802 61.546 62.300 0.080 0.000 0.861 660 V CB 2.507 34.362 31.823 0.054 0.000 0.985 660 V HN -0.246 nan 8.190 nan 0.000 0.436 661 V N 8.126 128.040 119.914 0.000 0.000 2.455 661 V HA 0.247 4.367 4.120 -0.000 0.000 0.273 661 V C -1.914 174.017 176.094 -0.270 0.000 1.045 661 V CA -1.639 60.550 62.300 -0.184 0.000 0.976 661 V CB 1.359 33.147 31.823 -0.058 0.000 0.993 661 V HN 0.757 nan 8.190 nan 0.000 0.475 662 P HA 0.054 nan 4.420 nan 0.000 0.262 662 P C -0.229 176.932 177.300 -0.231 0.000 1.182 662 P CA 0.286 63.175 63.100 -0.351 0.000 0.761 662 P CB 0.286 31.697 31.700 -0.482 0.000 0.795 663 N N 0.321 118.940 118.700 -0.135 0.000 2.081 663 N HA 0.163 4.903 4.740 -0.000 0.000 0.230 663 N C 0.553 176.009 175.510 -0.089 0.000 1.351 663 N CA -0.579 52.408 53.050 -0.105 0.000 0.840 663 N CB 0.098 38.559 38.487 -0.044 0.000 1.189 663 N HN 0.369 nan 8.380 nan 0.000 0.503 664 G N 0.437 109.204 108.800 -0.056 0.000 2.507 664 G HA2 0.504 4.464 3.960 -0.000 0.000 0.271 664 G HA3 0.504 4.464 3.960 -0.000 0.000 0.271 664 G C -0.538 174.326 174.900 -0.059 0.000 1.189 664 G CA -0.354 44.752 45.100 0.010 0.000 0.859 664 G HN 0.013 nan 8.290 nan 0.000 0.542 665 K N 0.625 121.006 120.400 -0.031 0.000 2.375 665 K HA 0.332 4.652 4.320 -0.000 0.000 0.249 665 K C -0.308 176.362 176.600 0.117 0.000 0.942 665 K CA -0.861 55.335 56.287 -0.153 0.000 0.806 665 K CB 2.599 34.700 32.500 -0.664 0.000 1.227 665 K HN 0.344 nan 8.250 nan 0.000 0.430 666 L N 2.169 123.469 121.223 0.130 0.000 2.559 666 L HA -0.065 4.274 4.340 -0.000 0.000 0.274 666 L C 1.443 178.456 176.870 0.240 0.000 1.205 666 L CA 0.214 55.245 54.840 0.319 0.000 0.907 666 L CB 0.245 42.508 42.059 0.339 0.000 1.153 666 L HN 0.784 nan 8.230 nan 0.000 0.490 667 S N 3.823 119.695 115.700 0.287 0.000 2.603 667 S HA 0.236 4.705 4.470 -0.000 0.000 0.220 667 S C 0.290 175.173 174.600 0.471 0.000 0.967 667 S CA -0.102 58.213 58.200 0.192 0.000 0.920 667 S CB -0.122 63.069 63.200 -0.015 0.000 0.773 667 S HN 0.476 nan 8.310 nan 0.000 0.529 668 L N 0.743 122.283 121.223 0.528 0.000 2.434 668 L HA 0.454 4.794 4.340 -0.000 0.000 0.260 668 L C -0.503 176.702 176.870 0.559 0.000 0.983 668 L CA -0.775 54.394 54.840 0.548 0.000 0.820 668 L CB 2.216 44.534 42.059 0.432 0.000 1.361 668 L HN -0.082 nan 8.230 nan 0.000 0.410 669 S N 0.844 116.852 115.700 0.513 0.000 2.562 669 S HA 0.143 4.613 4.470 -0.000 0.000 0.281 669 S C -0.914 173.852 174.600 0.278 0.000 1.333 669 S CA -0.187 58.248 58.200 0.392 0.000 1.052 669 S CB 0.521 63.972 63.200 0.418 0.000 0.884 669 S HN 0.483 nan 8.310 nan 0.000 0.506 670 W N 6.172 127.465 121.300 -0.012 0.000 2.453 670 W HA 0.288 4.948 4.660 -0.000 0.000 0.298 670 W C -2.954 173.393 176.519 -0.287 0.000 0.983 670 W CA -2.490 54.819 57.345 -0.060 0.000 1.600 670 W CB 1.107 30.627 29.460 0.099 0.000 1.430 670 W HN 0.475 nan 8.180 nan 0.000 0.422 671 P HA 0.043 nan 4.420 nan 0.000 0.274 671 P C 0.831 177.992 177.300 -0.231 0.000 1.237 671 P CA 0.063 62.964 63.100 -0.332 0.000 0.793 671 P CB 1.004 32.589 31.700 -0.191 0.000 0.977 672 F N -0.002 119.874 119.950 -0.123 0.000 2.126 672 F HA -0.075 4.452 4.527 -0.001 0.000 0.299 672 F C 1.585 177.307 175.800 -0.131 0.000 1.096 672 F CA 1.775 59.707 58.000 -0.113 0.000 1.255 672 F CB -0.244 38.682 39.000 -0.123 0.000 0.997 672 F HN 0.141 nan 8.300 nan 0.000 0.479 673 K N -0.494 119.941 120.400 0.058 0.000 2.508 673 K HA 0.231 4.551 4.320 -0.000 0.000 0.260 673 K C 0.322 176.867 176.600 -0.092 0.000 0.949 673 K CA -0.714 55.550 56.287 -0.039 0.000 0.834 673 K CB 2.400 34.870 32.500 -0.051 0.000 1.365 673 K HN -0.178 nan 8.250 nan 0.000 0.437 674 L N 2.605 123.756 121.223 -0.120 0.000 2.043 674 L HA -0.237 4.102 4.340 -0.000 0.000 0.212 674 L C 1.701 178.420 176.870 -0.253 0.000 1.075 674 L CA 2.188 56.962 54.840 -0.111 0.000 0.752 674 L CB -0.319 41.730 42.059 -0.017 0.000 0.891 674 L HN 0.622 nan 8.230 nan 0.000 0.432 675 Q N -0.618 118.855 119.800 -0.544 0.000 2.364 675 Q HA -0.148 4.192 4.340 -0.000 0.000 0.209 675 Q C 1.488 177.194 176.000 -0.490 0.000 0.977 675 Q CA 1.307 56.435 55.803 -1.125 0.000 0.885 675 Q CB -0.311 27.874 28.738 -0.922 0.000 0.941 675 Q HN 0.521 nan 8.270 nan 0.000 0.464 676 D N 0.380 120.683 120.400 -0.162 0.000 2.347 676 D HA -0.052 4.588 4.640 -0.000 0.000 0.215 676 D C 0.073 176.518 176.300 0.241 0.000 0.976 676 D CA 0.346 54.398 54.000 0.086 0.000 0.884 676 D CB -0.351 40.547 40.800 0.164 0.000 0.915 676 D HN 0.436 nan 8.370 nan 0.000 0.526 677 N N 0.993 119.758 118.700 0.108 0.000 2.530 677 N HA 0.065 4.805 4.740 -0.000 0.000 0.277 677 N C -1.776 173.633 175.510 -0.168 0.000 1.168 677 N CA -1.106 51.994 53.050 0.084 0.000 0.979 677 N CB 1.523 40.040 38.487 0.051 0.000 1.141 677 N HN -0.276 nan 8.380 nan 0.000 0.459 678 P HA -0.111 nan 4.420 nan 0.000 0.220 678 P C 0.232 177.307 177.300 -0.376 0.000 1.148 678 P CA 1.190 63.657 63.100 -1.055 0.000 0.803 678 P CB -0.005 30.899 31.700 -1.327 0.000 0.782 679 A N -1.686 121.019 122.820 -0.191 0.000 2.507 679 A HA 0.169 4.489 4.320 -0.000 0.000 0.270 679 A C 1.378 178.998 177.584 0.060 0.000 1.318 679 A CA -0.575 51.438 52.037 -0.040 0.000 0.924 679 A CB -1.469 17.544 19.000 0.021 0.000 1.061 679 A HN 0.002 nan 8.150 nan 0.000 0.516 680 F N 0.481 120.383 119.950 -0.080 0.000 2.161 680 F HA -0.139 4.387 4.527 -0.001 0.000 0.300 680 F C 1.423 177.232 175.800 0.016 0.000 1.089 680 F CA 1.829 59.808 58.000 -0.034 0.000 1.282 680 F CB -0.015 38.972 39.000 -0.023 0.000 1.010 680 F HN 0.247 nan 8.300 nan 0.000 0.485 681 L N -0.598 120.538 121.223 -0.145 0.000 2.529 681 L HA 0.084 4.423 4.340 -0.000 0.000 0.223 681 L C -0.126 176.678 176.870 -0.109 0.000 1.113 681 L CA 0.462 55.171 54.840 -0.219 0.000 0.861 681 L CB -0.354 41.674 42.059 -0.051 0.000 1.012 681 L HN 0.089 nan 8.230 nan 0.000 0.461 682 N N -0.727 117.953 118.700 -0.032 0.000 2.646 682 N HA 0.139 4.879 4.740 -0.000 0.000 0.303 682 N C -0.681 174.852 175.510 0.038 0.000 1.921 682 N CA -0.135 52.911 53.050 -0.007 0.000 0.872 682 N CB 0.587 39.080 38.487 0.009 0.000 1.327 682 N HN -0.010 nan 8.380 nan 0.000 0.492 683 F N 1.637 121.516 119.950 -0.117 0.000 2.831 683 F HA 0.411 4.937 4.527 -0.001 0.000 0.355 683 F C -0.304 175.452 175.800 -0.073 0.000 1.341 683 F CA -0.381 57.562 58.000 -0.094 0.000 1.201 683 F CB 0.234 39.187 39.000 -0.078 0.000 1.058 683 F HN -0.164 nan 8.300 nan 0.000 0.514 684 K N 0.614 120.923 120.400 -0.152 0.000 2.546 684 K HA 0.329 4.649 4.320 -0.000 0.000 0.264 684 K C -1.146 175.359 176.600 -0.157 0.000 0.937 684 K CA -0.477 55.728 56.287 -0.138 0.000 0.833 684 K CB 2.018 34.462 32.500 -0.094 0.000 1.378 684 K HN -0.021 nan 8.250 nan 0.000 0.432 685 T N 3.519 117.986 114.554 -0.146 0.000 2.727 685 T HA 0.179 4.528 4.350 -0.000 0.000 0.295 685 T C -0.773 173.831 174.700 -0.160 0.000 0.915 685 T CA -0.140 61.884 62.100 -0.127 0.000 1.066 685 T CB 0.253 69.061 68.868 -0.100 0.000 0.891 685 T HN 0.343 nan 8.240 nan 0.000 0.516 686 E N 2.535 122.626 120.200 -0.181 0.000 2.176 686 E HA 0.323 4.673 4.350 -0.000 0.000 0.267 686 E C -0.431 175.997 176.600 -0.287 0.000 0.893 686 E CA -0.969 55.200 56.400 -0.386 0.000 0.761 686 E CB 1.177 30.652 29.700 -0.375 0.000 1.133 686 E HN 0.572 nan 8.360 nan 0.000 0.409 687 F N 1.890 121.821 119.950 -0.033 0.000 3.100 687 F HA -0.254 4.272 4.527 -0.000 0.000 0.283 687 F C 1.259 177.033 175.800 -0.044 0.000 0.900 687 F CA 1.129 59.108 58.000 -0.034 0.000 1.010 687 F CB -2.186 36.794 39.000 -0.032 0.000 1.029 687 F HN 0.950 nan 8.300 nan 0.000 0.637 688 G N -0.729 108.083 108.800 0.020 0.000 2.162 688 G HA2 -0.232 3.727 3.960 -0.000 0.000 0.260 688 G HA3 -0.232 3.727 3.960 -0.000 0.000 0.260 688 G C 0.179 175.060 174.900 -0.032 0.000 0.976 688 G CA 0.556 45.650 45.100 -0.009 0.000 0.655 688 G HN 0.939 nan 8.290 nan 0.000 0.533 689 R N -1.546 118.944 120.500 -0.017 0.000 2.855 689 R HA 0.860 5.199 4.340 -0.000 0.000 0.266 689 R C -1.039 175.243 176.300 -0.030 0.000 1.034 689 R CA -1.154 54.928 56.100 -0.030 0.000 0.944 689 R CB 1.448 31.741 30.300 -0.013 0.000 1.219 689 R HN 0.502 nan 8.270 nan 0.000 0.474 690 V N 1.897 121.802 119.914 -0.015 0.000 2.488 690 V HA 0.410 4.530 4.120 -0.000 0.000 0.293 690 V C -0.544 175.619 176.094 0.115 0.000 1.027 690 V CA -0.647 61.669 62.300 0.026 0.000 0.862 690 V CB 1.528 33.368 31.823 0.028 0.000 1.008 690 V HN 0.657 nan 8.190 nan 0.000 0.428 691 I N 4.892 125.522 120.570 0.100 0.000 2.337 691 I HA 0.252 4.422 4.170 -0.000 0.000 0.291 691 I C -0.429 175.824 176.117 0.227 0.000 1.046 691 I CA -0.409 60.968 61.300 0.128 0.000 1.324 691 I CB 0.668 38.709 38.000 0.070 0.000 1.409 691 I HN 0.527 nan 8.210 nan 0.000 0.494 692 Y N 6.045 126.317 120.300 -0.046 0.000 2.623 692 Y HA 0.138 4.688 4.550 -0.001 0.000 0.341 692 Y C 1.587 177.502 175.900 0.025 0.000 1.292 692 Y CA -0.853 57.236 58.100 -0.019 0.000 1.840 692 Y CB -0.164 38.260 38.460 -0.060 0.000 1.865 692 Y HN 0.694 nan 8.280 nan 0.000 0.440 693 G N 1.289 110.170 108.800 0.135 0.000 2.432 693 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.219 693 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.219 693 G C 1.504 176.483 174.900 0.131 0.000 1.135 693 G CA 0.650 45.816 45.100 0.111 0.000 0.767 693 G HN 0.544 nan 8.290 nan 0.000 0.550 694 E N 0.840 121.108 120.200 0.113 0.000 2.482 694 E HA 0.025 4.375 4.350 -0.000 0.000 0.196 694 E C 0.866 177.621 176.600 0.259 0.000 1.047 694 E CA 0.967 57.468 56.400 0.168 0.000 0.869 694 E CB -0.172 29.539 29.700 0.018 0.000 0.836 694 E HN 0.311 nan 8.360 nan 0.000 0.520 695 D N 0.900 121.426 120.400 0.210 0.000 3.845 695 D HA -0.321 4.319 4.640 -0.000 0.000 0.144 695 D C 1.218 177.575 176.300 0.095 0.000 0.889 695 D CA 3.039 57.143 54.000 0.173 0.000 1.096 695 D CB -1.371 39.522 40.800 0.155 0.000 0.515 695 D HN 0.333 nan 8.370 nan 0.000 0.525 696 I N -2.035 118.461 120.570 -0.122 0.000 3.111 696 I HA 0.134 4.303 4.170 -0.000 0.000 0.272 696 I C 0.686 176.583 176.117 -0.368 0.000 1.268 696 I CA 0.498 61.620 61.300 -0.297 0.000 1.467 696 I CB -0.389 37.338 38.000 -0.454 0.000 1.087 696 I HN 0.036 nan 8.210 nan 0.000 0.467 697 F N 2.716 122.708 119.950 0.070 0.000 2.605 697 F HA 0.419 4.946 4.527 -0.001 0.000 0.352 697 F C 0.065 175.876 175.800 0.018 0.000 1.236 697 F CA -0.391 57.651 58.000 0.069 0.000 1.267 697 F CB 0.001 39.104 39.000 0.171 0.000 1.632 697 F HN -0.201 nan 8.300 nan 0.000 0.639 698 V N 1.532 121.466 119.914 0.035 0.000 2.547 698 V HA 0.780 4.900 4.120 -0.000 0.000 0.299 698 V C 0.806 176.863 176.094 -0.062 0.000 1.040 698 V CA -0.195 62.083 62.300 -0.036 0.000 0.913 698 V CB 1.045 32.831 31.823 -0.063 0.000 0.992 698 V HN 0.868 nan 8.190 nan 0.000 0.449 699 G N 4.237 113.033 108.800 -0.008 0.000 2.611 699 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.301 699 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.301 699 G C 0.656 175.707 174.900 0.253 0.000 1.233 699 G CA 1.391 46.594 45.100 0.172 0.000 0.993 699 G HN 1.454 nan 8.290 nan 0.000 0.553 700 Y N 1.065 121.535 120.300 0.283 0.000 2.403 700 Y HA 0.123 4.672 4.550 -0.000 0.000 0.291 700 Y C 2.868 178.908 175.900 0.234 0.000 1.143 700 Y CA 1.644 59.941 58.100 0.329 0.000 1.257 700 Y CB -0.494 38.122 38.460 0.261 0.000 0.984 700 Y HN 0.447 nan 8.280 nan 0.000 0.550 701 R N -0.764 119.491 120.500 -0.407 0.000 2.127 701 R HA -0.187 4.153 4.340 -0.000 0.000 0.238 701 R C 1.838 178.259 176.300 0.202 0.000 1.134 701 R CA 1.830 57.870 56.100 -0.100 0.000 0.975 701 R CB -0.669 29.549 30.300 -0.137 0.000 0.865 701 R HN 0.488 nan 8.270 nan 0.000 0.447 702 Y N 0.171 120.460 120.300 -0.018 0.000 2.153 702 Y HA -0.200 4.350 4.550 -0.001 0.000 0.289 702 Y C 1.808 177.617 175.900 -0.153 0.000 1.119 702 Y CA 1.216 59.238 58.100 -0.129 0.000 1.116 702 Y CB -0.441 37.799 38.460 -0.368 0.000 1.004 702 Y HN -0.088 nan 8.280 nan 0.000 0.501 703 Y N 0.859 121.248 120.300 0.149 0.000 2.165 703 Y HA -0.236 4.314 4.550 -0.000 0.000 0.286 703 Y C 2.412 178.297 175.900 -0.024 0.000 1.155 703 Y CA 1.939 60.058 58.100 0.033 0.000 1.164 703 Y CB -0.788 37.757 38.460 0.142 0.000 0.978 703 Y HN 0.251 nan 8.280 nan 0.000 0.513 704 E N -0.205 120.103 120.200 0.179 0.000 2.150 704 E HA -0.192 4.157 4.350 -0.000 0.000 0.193 704 E C 2.036 178.637 176.600 0.003 0.000 0.985 704 E CA 1.026 57.492 56.400 0.109 0.000 0.814 704 E CB -0.087 29.711 29.700 0.164 0.000 0.752 704 E HN 0.206 nan 8.360 nan 0.000 0.466 705 K N 0.767 121.124 120.400 -0.071 0.000 2.097 705 K HA -0.102 4.218 4.320 -0.000 0.000 0.205 705 K C 1.646 178.096 176.600 -0.250 0.000 1.050 705 K CA 0.745 56.921 56.287 -0.184 0.000 0.938 705 K CB -0.009 32.274 32.500 -0.362 0.000 0.718 705 K HN -0.016 nan 8.250 nan 0.000 0.442 706 L N 1.377 122.404 121.223 -0.325 0.000 2.492 706 L HA 0.084 4.424 4.340 -0.000 0.000 0.223 706 L C 0.039 176.824 176.870 -0.142 0.000 1.132 706 L CA 0.953 55.617 54.840 -0.294 0.000 0.850 706 L CB -0.396 41.403 42.059 -0.432 0.000 0.966 706 L HN 0.284 nan 8.230 nan 0.000 0.454 707 Q N -0.110 119.641 119.800 -0.082 0.000 2.453 707 Q HA -0.282 4.058 4.340 -0.000 0.000 0.294 707 Q C 0.357 176.361 176.000 0.006 0.000 1.295 707 Q CA 0.562 56.352 55.803 -0.021 0.000 0.853 707 Q CB -1.580 27.142 28.738 -0.027 0.000 1.193 707 Q HN 0.430 nan 8.270 nan 0.000 0.461 708 R N 1.473 121.997 120.500 0.041 0.000 2.216 708 R HA 0.279 4.619 4.340 -0.000 0.000 0.332 708 R C -0.483 175.880 176.300 0.106 0.000 1.056 708 R CA -0.405 55.754 56.100 0.099 0.000 0.901 708 R CB 0.703 31.117 30.300 0.191 0.000 1.039 708 R HN -0.007 nan 8.270 nan 0.000 0.456 709 K N 2.852 123.303 120.400 0.085 0.000 2.382 709 K HA 0.130 4.450 4.320 -0.000 0.000 0.275 709 K C -0.170 176.427 176.600 -0.006 0.000 1.009 709 K CA -0.258 56.071 56.287 0.069 0.000 0.970 709 K CB 1.038 33.631 32.500 0.155 0.000 0.934 709 K HN 0.474 nan 8.250 nan 0.000 0.479 710 V N -1.092 118.644 119.914 -0.298 0.000 3.113 710 V HA 0.607 4.727 4.120 -0.000 0.000 0.316 710 V C 0.788 176.116 176.094 -1.277 0.000 1.125 710 V CA -0.489 61.384 62.300 -0.712 0.000 1.026 710 V CB 1.464 32.931 31.823 -0.594 0.000 1.080 710 V HN 0.777 nan 8.190 nan 0.000 0.444 711 A N 0.585 122.459 122.820 -1.576 0.000 1.898 711 A HA 0.347 4.666 4.320 -0.000 0.000 0.216 711 A C 0.583 177.279 177.584 -1.481 0.000 1.181 711 A CA 1.511 52.598 52.037 -1.584 0.000 0.620 711 A CB -0.556 17.881 19.000 -0.939 0.000 0.819 711 A HN 0.902 nan 8.150 nan 0.000 0.442 712 F N -1.165 118.555 119.950 -0.384 0.000 2.604 712 F HA 0.462 4.989 4.527 -0.000 0.000 0.316 712 F C -2.771 172.929 175.800 -0.167 0.000 1.136 712 F CA -2.346 55.420 58.000 -0.390 0.000 0.989 712 F CB 2.113 40.898 39.000 -0.359 0.000 1.258 712 F HN -0.112 nan 8.300 nan 0.000 0.451 713 P HA 0.242 nan 4.420 nan 0.000 0.280 713 P C -0.541 176.930 177.300 0.286 0.000 1.272 713 P CA -0.483 62.702 63.100 0.142 0.000 0.819 713 P CB 1.165 32.918 31.700 0.089 0.000 1.122 714 F N 1.065 121.136 119.950 0.202 0.000 2.629 714 F HA 0.256 4.782 4.527 -0.000 0.000 0.377 714 F C 1.489 177.377 175.800 0.147 0.000 1.101 714 F CA 2.213 60.340 58.000 0.212 0.000 1.301 714 F CB -0.440 38.648 39.000 0.146 0.000 1.062 714 F HN 0.740 nan 8.300 nan 0.000 0.583 715 G N 3.718 112.168 108.800 -0.583 0.000 2.176 715 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.253 715 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.253 715 G C -0.241 174.480 174.900 -0.299 0.000 0.979 715 G CA 0.118 44.842 45.100 -0.626 0.000 0.641 715 G HN 0.948 nan 8.290 nan 0.000 0.530 716 Y N 1.404 121.588 120.300 -0.192 0.000 2.304 716 Y HA 0.522 5.072 4.550 -0.000 0.000 0.328 716 Y C 0.626 176.434 175.900 -0.152 0.000 1.123 716 Y CA 0.646 58.675 58.100 -0.118 0.000 1.218 716 Y CB 1.462 39.925 38.460 0.006 0.000 1.207 716 Y HN 0.689 nan 8.280 nan 0.000 0.495 717 G N 5.689 114.078 108.800 -0.686 0.000 2.655 717 G HA2 0.417 4.377 3.960 -0.000 0.000 0.296 717 G HA3 0.417 4.377 3.960 -0.000 0.000 0.296 717 G C -2.103 172.430 174.900 -0.610 0.000 1.485 717 G CA -0.960 43.814 45.100 -0.544 0.000 0.869 717 G HN 0.764 nan 8.290 nan 0.000 0.540 718 L N 0.398 121.346 121.223 -0.459 0.000 2.440 718 L HA 0.868 5.208 4.340 -0.000 0.000 0.262 718 L C 0.790 177.520 176.870 -0.233 0.000 1.072 718 L CA -0.852 53.796 54.840 -0.320 0.000 0.798 718 L CB 1.890 43.821 42.059 -0.215 0.000 1.307 718 L HN 0.626 nan 8.230 nan 0.000 0.475 719 S N -2.060 113.553 115.700 -0.145 0.000 2.806 719 S HA 0.435 4.905 4.470 -0.000 0.000 0.306 719 S C -0.308 174.219 174.600 -0.121 0.000 1.167 719 S CA -0.461 57.644 58.200 -0.159 0.000 0.847 719 S CB 0.920 64.179 63.200 0.098 0.000 1.216 719 S HN 0.386 nan 8.310 nan 0.000 0.532 720 Y N 0.780 120.966 120.300 -0.189 0.000 2.457 720 Y HA 0.376 4.925 4.550 -0.000 0.000 0.263 720 Y C 1.375 177.197 175.900 -0.130 0.000 1.164 720 Y CA -0.030 57.891 58.100 -0.298 0.000 1.274 720 Y CB -0.170 37.798 38.460 -0.820 0.000 1.097 720 Y HN 0.530 nan 8.280 nan 0.000 0.523 721 T N -0.441 114.117 114.554 0.007 0.000 2.888 721 T HA 0.558 4.908 4.350 -0.000 0.000 0.288 721 T C -0.231 174.306 174.700 -0.271 0.000 1.063 721 T CA -0.489 61.535 62.100 -0.125 0.000 1.010 721 T CB 1.318 70.040 68.868 -0.244 0.000 1.214 721 T HN 0.079 nan 8.240 nan 0.000 0.533 722 T N 0.393 114.732 114.554 -0.358 0.000 2.925 722 T HA 0.796 5.146 4.350 -0.000 0.000 0.285 722 T C -0.997 173.417 174.700 -0.476 0.000 1.021 722 T CA -0.573 61.375 62.100 -0.255 0.000 1.042 722 T CB 0.798 69.600 68.868 -0.111 0.000 1.037 722 T HN 0.387 nan 8.240 nan 0.000 0.481 723 F N 0.075 120.007 119.950 -0.031 0.000 2.620 723 F HA 0.671 5.198 4.527 -0.000 0.000 0.320 723 F C 0.200 175.985 175.800 -0.026 0.000 1.069 723 F CA -0.938 57.042 58.000 -0.032 0.000 0.953 723 F CB 2.261 41.233 39.000 -0.047 0.000 1.322 723 F HN 0.901 nan 8.300 nan 0.000 0.479 724 E N 1.233 121.547 120.200 0.189 0.000 2.383 724 E HA 0.748 5.098 4.350 -0.000 0.000 0.275 724 E C -2.066 174.585 176.600 0.085 0.000 0.918 724 E CA -1.104 55.356 56.400 0.101 0.000 0.764 724 E CB 2.729 32.463 29.700 0.056 0.000 1.252 724 E HN 0.541 nan 8.360 nan 0.000 0.449 725 L N -1.044 120.210 121.223 0.051 0.000 2.415 725 L HA 0.790 5.130 4.340 -0.000 0.000 0.256 725 L C -1.428 175.455 176.870 0.023 0.000 1.010 725 L CA -0.622 54.238 54.840 0.034 0.000 0.826 725 L CB 2.316 44.386 42.059 0.018 0.000 1.405 725 L HN 0.529 nan 8.230 nan 0.000 0.410 726 D N 1.226 121.637 120.400 0.019 0.000 2.837 726 D HA 0.475 5.115 4.640 -0.000 0.000 0.220 726 D C -0.748 175.560 176.300 0.014 0.000 1.236 726 D CA -0.193 53.816 54.000 0.013 0.000 0.838 726 D CB 2.943 43.752 40.800 0.015 0.000 1.647 726 D HN 0.659 nan 8.370 nan 0.000 0.486 727 I N 1.696 122.271 120.570 0.008 0.000 2.587 727 I HA -0.081 4.089 4.170 -0.000 0.000 0.284 727 I C 1.619 177.755 176.117 0.031 0.000 1.134 727 I CA 0.577 61.888 61.300 0.019 0.000 1.410 727 I CB 0.568 38.564 38.000 -0.007 0.000 1.392 727 I HN 0.341 nan 8.210 nan 0.000 0.545 728 S N 2.485 118.211 115.700 0.043 0.000 2.520 728 S HA 0.199 4.668 4.470 -0.000 0.000 0.219 728 S C 0.075 174.707 174.600 0.053 0.000 1.028 728 S CA -0.354 57.870 58.200 0.040 0.000 0.921 728 S CB 0.408 63.626 63.200 0.030 0.000 0.844 728 S HN 0.694 nan 8.310 nan 0.000 0.495 729 D N -0.538 119.907 120.400 0.076 0.000 2.655 729 D HA 0.660 5.300 4.640 -0.000 0.000 0.229 729 D C -2.121 174.289 176.300 0.184 0.000 1.229 729 D CA -0.500 53.557 54.000 0.095 0.000 0.807 729 D CB 1.979 42.806 40.800 0.046 0.000 1.514 729 D HN 0.087 nan 8.370 nan 0.000 0.444 730 F N 1.946 121.883 119.950 -0.021 0.000 2.604 730 F HA 0.588 5.114 4.527 -0.001 0.000 0.316 730 F C -1.705 174.070 175.800 -0.042 0.000 1.136 730 F CA -0.636 57.341 58.000 -0.037 0.000 0.989 730 F CB 1.496 40.480 39.000 -0.027 0.000 1.258 730 F HN 0.249 nan 8.300 nan 0.000 0.451 731 K N 5.030 124.929 120.400 -0.835 0.000 2.565 731 K HA 0.741 5.061 4.320 -0.000 0.000 0.251 731 K C -2.552 173.596 176.600 -0.754 0.000 0.956 731 K CA -0.523 55.408 56.287 -0.593 0.000 0.809 731 K CB 1.900 34.236 32.500 -0.273 0.000 1.267 731 K HN 0.403 nan 8.250 nan 0.000 0.438 732 V N 3.530 123.120 119.914 -0.541 0.000 2.555 732 V HA 0.596 4.716 4.120 -0.000 0.000 0.302 732 V C 0.290 176.276 176.094 -0.180 0.000 1.038 732 V CA -0.215 61.852 62.300 -0.388 0.000 0.887 732 V CB 1.511 33.167 31.823 -0.278 0.000 0.991 732 V HN 1.075 nan 8.190 nan 0.000 0.434 733 T N -0.674 113.790 114.554 -0.150 0.000 2.849 733 T HA 0.314 4.664 4.350 -0.000 0.000 0.272 733 T C 0.625 175.297 174.700 -0.047 0.000 1.046 733 T CA -0.260 61.790 62.100 -0.084 0.000 0.983 733 T CB 0.724 69.539 68.868 -0.089 0.000 1.721 733 T HN 0.422 nan 8.240 nan 0.000 0.594 734 D N 0.913 121.291 120.400 -0.036 0.000 2.183 734 D HA 0.025 4.664 4.640 -0.000 0.000 0.203 734 D C 1.084 177.354 176.300 -0.051 0.000 0.969 734 D CA 1.109 55.095 54.000 -0.023 0.000 0.842 734 D CB -0.063 40.729 40.800 -0.013 0.000 0.957 734 D HN 0.643 nan 8.370 nan 0.000 0.484 735 D N -1.001 119.351 120.400 -0.080 0.000 2.498 735 D HA 0.113 4.753 4.640 -0.000 0.000 0.223 735 D C 0.342 176.554 176.300 -0.146 0.000 1.125 735 D CA 0.044 53.977 54.000 -0.111 0.000 0.835 735 D CB 0.946 41.682 40.800 -0.107 0.000 1.086 735 D HN 0.051 nan 8.370 nan 0.000 0.510 736 K N 0.450 120.759 120.400 -0.151 0.000 2.385 736 K HA 0.674 4.994 4.320 -0.000 0.000 0.248 736 K C -0.777 175.685 176.600 -0.230 0.000 0.955 736 K CA -0.663 55.516 56.287 -0.179 0.000 0.816 736 K CB 2.941 35.348 32.500 -0.156 0.000 1.250 736 K HN -0.175 nan 8.250 nan 0.000 0.434 737 I N 1.455 121.874 120.570 -0.251 0.000 2.465 737 I HA 0.494 4.664 4.170 -0.000 0.000 0.291 737 I C -0.878 175.080 176.117 -0.265 0.000 1.014 737 I CA -0.837 60.260 61.300 -0.338 0.000 1.093 737 I CB 2.059 39.904 38.000 -0.257 0.000 1.267 737 I HN 0.613 nan 8.210 nan 0.000 0.431 738 A N 7.631 130.243 122.820 -0.347 0.000 2.343 738 A HA 0.902 5.222 4.320 -0.000 0.000 0.308 738 A C -0.935 176.539 177.584 -0.183 0.000 1.092 738 A CA -0.385 51.524 52.037 -0.213 0.000 0.751 738 A CB 0.928 19.816 19.000 -0.188 0.000 1.203 738 A HN 0.643 nan 8.150 nan 0.000 0.452 739 I N 1.203 121.751 120.570 -0.037 0.000 2.545 739 I HA 0.447 4.617 4.170 -0.000 0.000 0.292 739 I C -0.037 176.107 176.117 0.045 0.000 1.040 739 I CA -0.337 61.011 61.300 0.081 0.000 1.068 739 I CB 2.583 40.678 38.000 0.160 0.000 1.251 739 I HN 0.482 nan 8.210 nan 0.000 0.424 740 S N 4.148 119.885 115.700 0.061 0.000 2.482 740 S HA 0.741 5.210 4.470 -0.000 0.000 0.303 740 S C -0.618 174.007 174.600 0.042 0.000 1.091 740 S CA -0.655 57.567 58.200 0.035 0.000 1.057 740 S CB 2.089 65.303 63.200 0.024 0.000 1.031 740 S HN 0.307 nan 8.310 nan 0.000 0.485 741 V N 2.919 122.849 119.914 0.026 0.000 2.577 741 V HA 0.395 4.515 4.120 -0.000 0.000 0.303 741 V C -1.043 175.061 176.094 0.018 0.000 1.042 741 V CA -0.939 61.374 62.300 0.022 0.000 0.872 741 V CB 2.098 33.930 31.823 0.014 0.000 0.998 741 V HN 0.723 nan 8.190 nan 0.000 0.423 742 D N 3.033 123.446 120.400 0.021 0.000 2.225 742 D HA 0.611 5.251 4.640 -0.000 0.000 0.248 742 D C -0.475 175.842 176.300 0.028 0.000 1.096 742 D CA 0.071 54.086 54.000 0.024 0.000 0.863 742 D CB 2.099 42.913 40.800 0.025 0.000 1.156 742 D HN 0.296 nan 8.370 nan 0.000 0.450 743 V N 2.171 122.106 119.914 0.035 0.000 2.735 743 V HA 0.504 4.624 4.120 -0.000 0.000 0.310 743 V C -0.105 176.043 176.094 0.091 0.000 1.061 743 V CA -0.915 61.418 62.300 0.054 0.000 0.913 743 V CB 2.249 34.086 31.823 0.023 0.000 1.005 743 V HN 0.353 nan 8.190 nan 0.000 0.428 744 K N 2.689 123.168 120.400 0.132 0.000 2.468 744 K HA 0.428 4.747 4.320 -0.000 0.000 0.252 744 K C -0.950 175.743 176.600 0.156 0.000 0.932 744 K CA -0.723 55.637 56.287 0.121 0.000 0.794 744 K CB 1.775 34.309 32.500 0.058 0.000 1.241 744 K HN 0.708 nan 8.250 nan 0.000 0.428 745 N N 2.422 121.166 118.700 0.073 0.000 2.402 745 N HA 0.009 4.749 4.740 -0.000 0.000 0.252 745 N C 0.099 175.506 175.510 -0.170 0.000 1.118 745 N CA 0.079 53.007 53.050 -0.205 0.000 0.945 745 N CB 1.105 39.467 38.487 -0.207 0.000 1.147 745 N HN 0.672 nan 8.380 nan 0.000 0.495 746 T N -0.142 114.298 114.554 -0.191 0.000 3.144 746 T HA 0.274 4.624 4.350 -0.000 0.000 0.249 746 T C 0.952 175.577 174.700 -0.125 0.000 1.089 746 T CA -0.448 61.584 62.100 -0.114 0.000 0.989 746 T CB -0.122 68.703 68.868 -0.072 0.000 0.992 746 T HN 0.322 nan 8.240 nan 0.000 0.540 747 G N 1.420 110.111 108.800 -0.181 0.000 2.528 747 G HA2 0.459 4.419 3.960 -0.000 0.000 0.289 747 G HA3 0.459 4.419 3.960 -0.000 0.000 0.289 747 G C -0.039 174.805 174.900 -0.094 0.000 1.192 747 G CA -0.363 44.664 45.100 -0.121 0.000 0.921 747 G HN 0.366 nan 8.290 nan 0.000 0.512 748 D N -1.947 118.409 120.400 -0.073 0.000 2.535 748 D HA 0.103 4.742 4.640 -0.000 0.000 0.229 748 D C 0.874 177.111 176.300 -0.106 0.000 1.238 748 D CA -0.147 53.807 54.000 -0.077 0.000 0.824 748 D CB 0.703 41.464 40.800 -0.065 0.000 1.045 748 D HN 0.481 nan 8.370 nan 0.000 0.500 749 K N -0.826 119.497 120.400 -0.129 0.000 2.494 749 K HA 0.214 4.534 4.320 -0.000 0.000 0.201 749 K C -0.562 175.812 176.600 -0.376 0.000 1.338 749 K CA -0.125 55.990 56.287 -0.287 0.000 0.935 749 K CB 0.557 32.834 32.500 -0.371 0.000 1.514 749 K HN -0.077 nan 8.250 nan 0.000 0.490 750 F N 1.962 121.892 119.950 -0.033 0.000 2.421 750 F HA 0.489 5.016 4.527 -0.000 0.000 0.337 750 F C 0.368 176.140 175.800 -0.046 0.000 1.105 750 F CA -1.076 56.921 58.000 -0.005 0.000 1.049 750 F CB 1.534 40.565 39.000 0.052 0.000 1.139 750 F HN 0.070 nan 8.300 nan 0.000 0.479 751 A N 1.962 124.881 122.820 0.166 0.000 2.386 751 A HA 0.729 5.049 4.320 -0.000 0.000 0.248 751 A C 0.356 177.979 177.584 0.065 0.000 1.082 751 A CA 0.433 52.501 52.037 0.053 0.000 0.789 751 A CB 0.012 19.068 19.000 0.093 0.000 1.025 751 A HN 1.032 nan 8.150 nan 0.000 0.490 752 G N -0.648 108.112 108.800 -0.066 0.000 2.576 752 G HA2 0.524 4.484 3.960 -0.000 0.000 0.290 752 G HA3 0.524 4.484 3.960 -0.000 0.000 0.290 752 G C -1.018 173.966 174.900 0.140 0.000 1.442 752 G CA -0.343 44.833 45.100 0.126 0.000 0.792 752 G HN 0.867 nan 8.290 nan 0.000 0.491 753 S N -0.364 115.413 115.700 0.128 0.000 2.509 753 S HA 0.697 5.167 4.470 -0.000 0.000 0.297 753 S C -0.535 173.826 174.600 -0.400 0.000 1.118 753 S CA -0.475 57.699 58.200 -0.043 0.000 1.074 753 S CB 1.919 65.150 63.200 0.052 0.000 1.038 753 S HN 0.713 nan 8.310 nan 0.000 0.498 754 E N 1.221 121.008 120.200 -0.688 0.000 2.256 754 E HA 0.569 4.919 4.350 -0.000 0.000 0.267 754 E C -1.614 174.727 176.600 -0.432 0.000 0.892 754 E CA -0.778 55.089 56.400 -0.889 0.000 0.775 754 E CB 1.441 30.297 29.700 -1.407 0.000 1.207 754 E HN 0.274 nan 8.360 nan 0.000 0.420 755 V N 4.061 123.755 119.914 -0.366 0.000 2.328 755 V HA 0.303 4.422 4.120 -0.000 0.000 0.278 755 V C -0.398 175.576 176.094 -0.199 0.000 1.021 755 V CA -0.903 61.254 62.300 -0.239 0.000 0.838 755 V CB 1.443 33.049 31.823 -0.362 0.000 0.999 755 V HN 0.568 nan 8.190 nan 0.000 0.447 756 V N 6.151 126.010 119.914 -0.092 0.000 2.455 756 V HA 0.252 4.372 4.120 -0.000 0.000 0.273 756 V C 0.173 176.282 176.094 0.026 0.000 1.045 756 V CA -0.135 62.140 62.300 -0.042 0.000 0.976 756 V CB 0.977 32.790 31.823 -0.015 0.000 0.993 756 V HN 0.908 nan 8.190 nan 0.000 0.475 757 Q N 3.607 123.414 119.800 0.012 0.000 2.333 757 Q HA 0.631 4.971 4.340 -0.000 0.000 0.267 757 Q C -1.266 174.706 176.000 -0.046 0.000 1.012 757 Q CA -0.597 55.209 55.803 0.005 0.000 0.824 757 Q CB 2.703 31.444 28.738 0.005 0.000 1.290 757 Q HN 0.582 nan 8.270 nan 0.000 0.449 758 V N 3.516 123.340 119.914 -0.150 0.000 2.378 758 V HA 0.405 4.525 4.120 -0.000 0.000 0.288 758 V C -1.159 174.774 176.094 -0.269 0.000 1.016 758 V CA -0.722 61.497 62.300 -0.135 0.000 0.840 758 V CB 0.295 32.087 31.823 -0.051 0.000 0.994 758 V HN 0.647 nan 8.190 nan 0.000 0.431 759 Y N 3.895 124.162 120.300 -0.055 0.000 2.446 759 Y HA 0.728 5.278 4.550 -0.000 0.000 0.338 759 Y C -0.311 175.493 175.900 -0.160 0.000 1.055 759 Y CA -0.796 57.330 58.100 0.043 0.000 1.101 759 Y CB 1.909 40.423 38.460 0.090 0.000 1.221 759 Y HN 0.494 nan 8.280 nan 0.000 0.460 760 F N 0.267 120.411 119.950 0.323 0.000 2.546 760 F HA 0.674 5.201 4.527 -0.001 0.000 0.320 760 F C -0.151 175.823 175.800 0.290 0.000 1.076 760 F CA -0.634 57.547 58.000 0.301 0.000 0.928 760 F CB 2.209 41.374 39.000 0.275 0.000 1.189 760 F HN 0.271 nan 8.300 nan 0.000 0.465 761 S N 0.909 116.867 115.700 0.430 0.000 2.541 761 S HA 0.755 5.225 4.470 -0.000 0.000 0.280 761 S C -0.917 173.837 174.600 0.256 0.000 1.112 761 S CA -0.810 57.563 58.200 0.288 0.000 0.925 761 S CB 1.839 65.133 63.200 0.158 0.000 1.067 761 S HN 0.745 nan 8.310 nan 0.000 0.479 762 A N 2.415 125.319 122.820 0.140 0.000 2.320 762 A HA 0.579 4.899 4.320 -0.000 0.000 0.287 762 A C 0.606 178.064 177.584 -0.210 0.000 1.181 762 A CA -0.453 51.465 52.037 -0.198 0.000 0.831 762 A CB -0.173 18.756 19.000 -0.119 0.000 1.102 762 A HN 0.913 nan 8.150 nan 0.000 0.513 763 L N 1.652 122.679 121.223 -0.327 0.000 2.416 763 L HA 0.095 4.435 4.340 -0.000 0.000 0.216 763 L C 0.880 177.645 176.870 -0.175 0.000 1.098 763 L CA 0.536 55.262 54.840 -0.190 0.000 0.840 763 L CB -0.086 41.870 42.059 -0.173 0.000 0.981 763 L HN 0.906 nan 8.230 nan 0.000 0.462 764 N N -1.485 117.071 118.700 -0.239 0.000 2.622 764 N HA 0.015 4.755 4.740 -0.000 0.000 0.293 764 N C -0.549 174.866 175.510 -0.157 0.000 1.788 764 N CA -0.189 52.763 53.050 -0.163 0.000 0.860 764 N CB 0.103 38.512 38.487 -0.131 0.000 1.388 764 N HN -0.149 nan 8.380 nan 0.000 0.496 765 S N 0.307 115.910 115.700 -0.161 0.000 2.601 765 S HA 0.275 4.745 4.470 -0.000 0.000 0.271 765 S C 1.046 175.595 174.600 -0.085 0.000 1.305 765 S CA -0.292 57.831 58.200 -0.128 0.000 1.022 765 S CB 0.806 63.923 63.200 -0.139 0.000 0.940 765 S HN 0.175 nan 8.310 nan 0.000 0.525 766 K N 1.825 122.188 120.400 -0.062 0.000 2.525 766 K HA 0.236 4.556 4.320 -0.000 0.000 0.192 766 K C -0.247 176.314 176.600 -0.066 0.000 1.029 766 K CA 0.266 56.531 56.287 -0.036 0.000 1.029 766 K CB -0.289 32.220 32.500 0.015 0.000 0.814 766 K HN 0.396 nan 8.250 nan 0.000 0.503 767 V N 0.330 120.160 119.914 -0.139 0.000 2.735 767 V HA 0.180 4.299 4.120 -0.000 0.000 0.310 767 V C -0.144 175.872 176.094 -0.129 0.000 1.061 767 V CA -1.060 61.121 62.300 -0.198 0.000 0.913 767 V CB 2.073 33.580 31.823 -0.526 0.000 1.005 767 V HN 0.023 nan 8.190 nan 0.000 0.428 768 S N 5.144 120.816 115.700 -0.048 0.000 2.533 768 S HA 0.496 4.966 4.470 -0.000 0.000 0.282 768 S C -0.144 174.493 174.600 0.062 0.000 1.304 768 S CA -0.094 58.137 58.200 0.052 0.000 1.063 768 S CB -0.011 63.272 63.200 0.139 0.000 0.881 768 S HN 0.691 nan 8.310 nan 0.000 0.493 769 R N 3.235 123.810 120.500 0.126 0.000 2.817 769 R HA 0.504 4.844 4.340 -0.000 0.000 0.268 769 R C -2.878 173.590 176.300 0.280 0.000 1.027 769 R CA -2.181 53.996 56.100 0.129 0.000 0.928 769 R CB 1.159 31.515 30.300 0.093 0.000 1.228 769 R HN 0.389 nan 8.270 nan 0.000 0.469 770 P HA 0.025 nan 4.420 nan 0.000 0.272 770 P C 0.713 178.151 177.300 0.230 0.000 1.230 770 P CA -0.328 62.962 63.100 0.317 0.000 0.788 770 P CB 0.609 32.407 31.700 0.164 0.000 0.949 771 V N 0.356 120.391 119.914 0.201 0.000 2.332 771 V HA -0.178 3.942 4.120 -0.000 0.000 0.248 771 V C 1.119 177.319 176.094 0.177 0.000 1.055 771 V CA 2.024 64.413 62.300 0.148 0.000 1.038 771 V CB -1.156 30.735 31.823 0.113 0.000 0.651 771 V HN 0.749 nan 8.190 nan 0.000 0.450 772 K N -0.529 120.015 120.400 0.241 0.000 2.575 772 K HA 0.594 4.913 4.320 -0.000 0.000 0.279 772 K C -1.582 175.304 176.600 0.477 0.000 0.969 772 K CA -0.818 55.659 56.287 0.318 0.000 0.868 772 K CB 2.160 34.801 32.500 0.235 0.000 1.457 772 K HN 0.105 nan 8.250 nan 0.000 0.426 773 E N 1.371 121.903 120.200 0.553 0.000 2.275 773 E HA 0.228 4.578 4.350 -0.000 0.000 0.270 773 E C -1.440 175.482 176.600 0.536 0.000 0.882 773 E CA -1.141 55.596 56.400 0.561 0.000 0.758 773 E CB 2.368 32.287 29.700 0.364 0.000 1.195 773 E HN 0.444 nan 8.360 nan 0.000 0.419 774 L N 3.497 124.998 121.223 0.465 0.000 2.477 774 L HA 0.068 4.408 4.340 -0.000 0.000 0.272 774 L C 0.265 177.151 176.870 0.028 0.000 1.157 774 L CA 0.802 55.664 54.840 0.038 0.000 0.889 774 L CB 0.134 42.292 42.059 0.166 0.000 1.158 774 L HN 0.464 nan 8.230 nan 0.000 0.473 775 K N 3.928 124.246 120.400 -0.135 0.000 2.517 775 K HA 0.464 4.784 4.320 -0.000 0.000 0.210 775 K C 0.040 176.206 176.600 -0.724 0.000 1.166 775 K CA 0.313 56.265 56.287 -0.559 0.000 1.030 775 K CB 1.304 33.743 32.500 -0.101 0.000 0.974 775 K HN 0.705 nan 8.250 nan 0.000 0.585 776 G N 1.364 110.042 108.800 -0.204 0.000 2.667 776 G HA2 0.571 4.530 3.960 -0.000 0.000 0.294 776 G HA3 0.571 4.530 3.960 -0.000 0.000 0.294 776 G C -1.537 173.532 174.900 0.283 0.000 1.467 776 G CA -0.806 44.316 45.100 0.037 0.000 0.852 776 G HN 0.026 nan 8.290 nan 0.000 0.521 777 F N -1.098 118.940 119.950 0.147 0.000 2.678 777 F HA 0.878 5.405 4.527 -0.001 0.000 0.308 777 F C -0.983 174.860 175.800 0.071 0.000 1.118 777 F CA -1.215 56.850 58.000 0.109 0.000 0.959 777 F CB 1.929 41.075 39.000 0.242 0.000 1.305 777 F HN 0.399 nan 8.300 nan 0.000 0.443 778 E N 1.367 121.670 120.200 0.171 0.000 2.366 778 E HA 0.331 4.681 4.350 -0.000 0.000 0.278 778 E C -1.855 174.798 176.600 0.088 0.000 0.923 778 E CA -0.953 55.485 56.400 0.063 0.000 0.761 778 E CB 3.204 32.901 29.700 -0.005 0.000 1.231 778 E HN 0.747 nan 8.360 nan 0.000 0.443 779 K N 1.153 121.597 120.400 0.073 0.000 2.244 779 K HA 0.566 4.886 4.320 -0.000 0.000 0.260 779 K C -1.328 175.278 176.600 0.010 0.000 0.951 779 K CA -0.729 55.580 56.287 0.036 0.000 0.826 779 K CB 1.764 34.310 32.500 0.078 0.000 1.108 779 K HN 0.254 nan 8.250 nan 0.000 0.433 780 V N 4.844 124.740 119.914 -0.030 0.000 2.577 780 V HA 0.305 4.425 4.120 -0.000 0.000 0.303 780 V C -1.348 174.768 176.094 0.037 0.000 1.042 780 V CA -0.611 61.693 62.300 0.007 0.000 0.872 780 V CB 1.528 33.343 31.823 -0.012 0.000 0.998 780 V HN 0.942 nan 8.190 nan 0.000 0.423 781 H N 7.040 126.122 119.070 0.020 0.000 2.527 781 H HA 0.588 5.144 4.556 -0.000 0.000 0.321 781 H C -1.520 173.868 175.328 0.099 0.000 1.087 781 H CA -0.279 55.806 56.048 0.062 0.000 1.337 781 H CB 1.500 31.293 29.762 0.052 0.000 1.440 781 H HN 0.639 nan 8.280 nan 0.000 0.490 782 L N 5.081 126.124 121.223 -0.300 0.000 2.482 782 L HA 0.171 4.510 4.340 -0.000 0.000 0.269 782 L C -0.077 176.701 176.870 -0.154 0.000 0.967 782 L CA -0.862 53.934 54.840 -0.074 0.000 0.851 782 L CB 2.189 44.324 42.059 0.127 0.000 1.242 782 L HN 0.563 nan 8.230 nan 0.000 0.404 783 E N 2.899 123.067 120.200 -0.054 0.000 2.422 783 E HA 0.136 4.486 4.350 -0.000 0.000 0.260 783 E C -2.297 174.280 176.600 -0.038 0.000 1.108 783 E CA -1.684 54.705 56.400 -0.019 0.000 0.943 783 E CB 0.120 29.839 29.700 0.031 0.000 0.961 783 E HN 0.221 nan 8.360 nan 0.000 0.443 784 P HA -0.047 nan 4.420 nan 0.000 0.261 784 P C 0.708 177.979 177.300 -0.048 0.000 1.183 784 P CA 1.404 64.466 63.100 -0.064 0.000 0.761 784 P CB 0.229 31.892 31.700 -0.061 0.000 0.785 785 G N 1.897 110.663 108.800 -0.056 0.000 2.234 785 G HA2 -0.299 3.660 3.960 -0.000 0.000 0.260 785 G HA3 -0.299 3.660 3.960 -0.000 0.000 0.260 785 G C 0.282 175.174 174.900 -0.013 0.000 0.987 785 G CA 0.092 45.172 45.100 -0.033 0.000 0.625 785 G HN 0.607 nan 8.290 nan 0.000 0.532 786 E N 0.555 120.752 120.200 -0.006 0.000 2.373 786 E HA 0.528 4.878 4.350 -0.000 0.000 0.263 786 E C -0.051 176.567 176.600 0.031 0.000 1.073 786 E CA -0.492 55.916 56.400 0.015 0.000 0.894 786 E CB 0.447 30.161 29.700 0.023 0.000 1.008 786 E HN 0.121 nan 8.360 nan 0.000 0.420 787 K N 3.198 123.618 120.400 0.033 0.000 2.443 787 K HA 0.353 4.673 4.320 -0.000 0.000 0.252 787 K C -1.311 175.312 176.600 0.038 0.000 0.933 787 K CA -0.567 55.743 56.287 0.039 0.000 0.792 787 K CB 1.420 33.938 32.500 0.029 0.000 1.185 787 K HN 0.473 nan 8.250 nan 0.000 0.425 788 K N 1.121 121.545 120.400 0.041 0.000 2.444 788 K HA 0.440 4.759 4.320 -0.000 0.000 0.252 788 K C -0.932 175.684 176.600 0.026 0.000 0.993 788 K CA -0.894 55.413 56.287 0.033 0.000 0.847 788 K CB 2.122 34.644 32.500 0.037 0.000 1.340 788 K HN 0.412 nan 8.250 nan 0.000 0.446 789 T N 1.378 115.943 114.554 0.019 0.000 2.779 789 T HA 0.373 4.723 4.350 -0.000 0.000 0.280 789 T C -0.483 174.222 174.700 0.009 0.000 0.987 789 T CA -0.788 61.321 62.100 0.014 0.000 0.966 789 T CB 1.094 69.969 68.868 0.012 0.000 0.933 789 T HN 0.401 nan 8.240 nan 0.000 0.442 790 V N 1.620 121.537 119.914 0.006 0.000 2.732 790 V HA 0.735 4.855 4.120 -0.000 0.000 0.310 790 V C -0.522 175.569 176.094 -0.005 0.000 1.053 790 V CA -0.992 61.306 62.300 -0.003 0.000 0.957 790 V CB 1.845 33.664 31.823 -0.006 0.000 1.018 790 V HN 0.704 nan 8.190 nan 0.000 0.452 791 N N 2.653 121.344 118.700 -0.015 0.000 2.321 791 N HA 0.707 5.447 4.740 -0.000 0.000 0.299 791 N C -1.248 174.245 175.510 -0.029 0.000 1.048 791 N CA -0.229 52.809 53.050 -0.019 0.000 0.836 791 N CB 2.311 40.782 38.487 -0.027 0.000 1.269 791 N HN 0.758 nan 8.380 nan 0.000 0.486 792 I N 1.517 122.073 120.570 -0.023 0.000 2.468 792 I HA 0.206 4.375 4.170 -0.000 0.000 0.284 792 I C -0.889 175.209 176.117 -0.032 0.000 1.038 792 I CA -0.555 60.729 61.300 -0.027 0.000 1.083 792 I CB 1.609 39.610 38.000 0.001 0.000 1.223 792 I HN 0.157 nan 8.210 nan 0.000 0.443 793 D N 7.797 128.163 120.400 -0.057 0.000 2.278 793 D HA 0.736 5.376 4.640 -0.000 0.000 0.245 793 D C -0.864 175.386 176.300 -0.084 0.000 1.052 793 D CA -0.355 53.599 54.000 -0.077 0.000 0.834 793 D CB 2.619 43.369 40.800 -0.083 0.000 1.194 793 D HN 0.088 nan 8.370 nan 0.000 0.481 794 L N 0.172 121.332 121.223 -0.105 0.000 2.466 794 L HA 0.335 4.675 4.340 -0.000 0.000 0.258 794 L C 0.087 176.852 176.870 -0.176 0.000 0.973 794 L CA -0.986 53.775 54.840 -0.132 0.000 0.826 794 L CB 1.196 43.171 42.059 -0.141 0.000 1.372 794 L HN 0.128 nan 8.230 nan 0.000 0.409 795 E N 1.278 121.363 120.200 -0.192 0.000 2.392 795 E HA 0.184 4.534 4.350 -0.000 0.000 0.264 795 E C 0.626 177.062 176.600 -0.274 0.000 1.024 795 E CA -0.208 56.055 56.400 -0.228 0.000 0.903 795 E CB 1.056 30.605 29.700 -0.252 0.000 0.963 795 E HN 0.515 nan 8.360 nan 0.000 0.432 796 L N 3.254 124.321 121.223 -0.260 0.000 2.042 796 L HA -0.267 4.073 4.340 -0.000 0.000 0.210 796 L C 2.518 179.215 176.870 -0.288 0.000 1.076 796 L CA 1.673 56.348 54.840 -0.274 0.000 0.749 796 L CB -0.479 41.463 42.059 -0.196 0.000 0.893 796 L HN 0.595 nan 8.230 nan 0.000 0.432 797 K N -0.637 119.577 120.400 -0.310 0.000 2.209 797 K HA -0.198 4.122 4.320 -0.000 0.000 0.204 797 K C 1.283 177.696 176.600 -0.313 0.000 1.048 797 K CA 1.764 57.843 56.287 -0.347 0.000 0.940 797 K CB -0.254 31.800 32.500 -0.743 0.000 0.729 797 K HN 0.251 nan 8.250 nan 0.000 0.451 798 D N 1.105 121.296 120.400 -0.348 0.000 2.183 798 D HA -0.059 4.581 4.640 -0.000 0.000 0.203 798 D C 1.870 178.009 176.300 -0.268 0.000 0.969 798 D CA 1.414 55.251 54.000 -0.271 0.000 0.842 798 D CB 0.079 40.741 40.800 -0.230 0.000 0.957 798 D HN 0.471 nan 8.370 nan 0.000 0.484 799 A N 0.634 123.218 122.820 -0.394 0.000 1.943 799 A HA 0.101 4.421 4.320 -0.000 0.000 0.213 799 A C 1.934 179.231 177.584 -0.478 0.000 1.181 799 A CA 0.533 52.168 52.037 -0.670 0.000 0.653 799 A CB -0.096 18.190 19.000 -1.190 0.000 0.833 799 A HN 0.333 nan 8.150 nan 0.000 0.451 800 I N -4.296 116.100 120.570 -0.291 0.000 4.160 800 I HA 0.334 4.503 4.170 -0.000 0.000 0.325 800 I C -0.284 175.877 176.117 0.073 0.000 1.455 800 I CA -0.376 60.842 61.300 -0.136 0.000 1.142 800 I CB 0.678 38.423 38.000 -0.425 0.000 1.262 800 I HN -0.116 nan 8.210 nan 0.000 0.483 801 S N 1.877 117.664 115.700 0.145 0.000 2.576 801 S HA 0.446 4.916 4.470 -0.000 0.000 0.276 801 S C -0.491 174.372 174.600 0.439 0.000 1.339 801 S CA -0.177 58.204 58.200 0.302 0.000 1.039 801 S CB 0.409 63.894 63.200 0.474 0.000 0.902 801 S HN 0.488 nan 8.310 nan 0.000 0.516 802 Y N -0.233 120.287 120.300 0.366 0.000 2.621 802 Y HA 0.762 5.311 4.550 -0.001 0.000 0.334 802 Y C -0.825 175.275 175.900 0.335 0.000 1.074 802 Y CA -1.808 56.512 58.100 0.367 0.000 1.149 802 Y CB 0.575 39.155 38.460 0.200 0.000 1.302 802 Y HN 0.468 nan 8.280 nan 0.000 0.501 803 F N 3.238 123.138 119.950 -0.083 0.000 2.404 803 F HA 0.331 4.858 4.527 -0.001 0.000 0.358 803 F C -0.049 175.607 175.800 -0.241 0.000 1.120 803 F CA -0.614 57.019 58.000 -0.612 0.000 1.144 803 F CB 0.525 38.883 39.000 -1.070 0.000 1.133 803 F HN 0.666 nan 8.300 nan 0.000 0.495 804 N N 5.695 123.804 118.700 -0.986 0.000 2.439 804 N HA -0.010 4.730 4.740 -0.000 0.000 0.243 804 N C 0.877 176.040 175.510 -0.578 0.000 1.088 804 N CA 0.280 53.079 53.050 -0.418 0.000 0.940 804 N CB 0.669 39.005 38.487 -0.252 0.000 1.180 804 N HN 0.943 nan 8.380 nan 0.000 0.505 805 E N 2.649 122.759 120.200 -0.150 0.000 2.106 805 E HA -0.196 4.154 4.350 -0.000 0.000 0.192 805 E C 1.087 177.661 176.600 -0.044 0.000 0.984 805 E CA 0.944 57.354 56.400 0.016 0.000 0.806 805 E CB 0.215 29.989 29.700 0.122 0.000 0.750 805 E HN 0.737 nan 8.360 nan 0.000 0.458 806 E N 0.108 120.277 120.200 -0.052 0.000 2.106 806 E HA -0.153 4.197 4.350 -0.000 0.000 0.192 806 E C 1.972 178.511 176.600 -0.102 0.000 0.984 806 E CA 0.838 57.207 56.400 -0.052 0.000 0.806 806 E CB 0.073 29.756 29.700 -0.028 0.000 0.750 806 E HN 0.302 nan 8.360 nan 0.000 0.458 807 L N -0.825 120.294 121.223 -0.172 0.000 2.446 807 L HA 0.200 4.540 4.340 -0.000 0.000 0.219 807 L C 1.402 178.133 176.870 -0.232 0.000 1.116 807 L CA 0.372 55.082 54.840 -0.217 0.000 0.844 807 L CB 0.093 41.979 42.059 -0.289 0.000 0.970 807 L HN 0.382 nan 8.230 nan 0.000 0.457 808 G N 1.171 109.800 108.800 -0.286 0.000 2.198 808 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.257 808 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.257 808 G C 0.009 174.691 174.900 -0.364 0.000 1.042 808 G CA 0.251 45.234 45.100 -0.196 0.000 0.791 808 G HN 0.408 nan 8.290 nan 0.000 0.502 809 K N -1.666 118.247 120.400 -0.811 0.000 2.532 809 K HA 0.447 4.766 4.320 -0.000 0.000 0.265 809 K C -0.548 175.465 176.600 -0.979 0.000 0.948 809 K CA -1.122 54.800 56.287 -0.608 0.000 0.842 809 K CB 1.515 33.878 32.500 -0.228 0.000 1.392 809 K HN 0.101 nan 8.250 nan 0.000 0.436 810 W N 1.769 122.616 121.300 -0.756 0.000 2.158 810 W HA 0.151 4.811 4.660 -0.000 0.000 0.339 810 W C 0.610 176.761 176.519 -0.612 0.000 1.294 810 W CA 0.381 57.200 57.345 -0.878 0.000 1.231 810 W CB 0.368 28.787 29.460 -1.735 0.000 1.143 810 W HN 0.409 nan 8.180 nan 0.000 0.571 811 H N 1.350 120.156 119.070 -0.441 0.000 2.744 811 H HA 0.403 4.959 4.556 -0.000 0.000 0.339 811 H C -1.305 173.915 175.328 -0.181 0.000 1.004 811 H CA -0.859 54.913 56.048 -0.461 0.000 1.257 811 H CB 1.380 30.728 29.762 -0.689 0.000 1.552 811 H HN 0.166 nan 8.280 nan 0.000 0.522 812 V N 5.779 125.668 119.914 -0.043 0.000 2.353 812 V HA 0.056 4.176 4.120 -0.000 0.000 0.264 812 V C 0.341 176.220 176.094 -0.359 0.000 1.049 812 V CA -0.091 62.146 62.300 -0.105 0.000 0.896 812 V CB 0.877 32.702 31.823 0.002 0.000 1.025 812 V HN 0.727 nan 8.190 nan 0.000 0.475 813 E N 3.952 123.940 120.200 -0.354 0.000 2.249 813 E HA 0.610 4.960 4.350 -0.000 0.000 0.280 813 E C 0.173 176.810 176.600 0.063 0.000 1.016 813 E CA -0.698 55.493 56.400 -0.348 0.000 0.830 813 E CB 1.476 31.084 29.700 -0.154 0.000 1.081 813 E HN 0.788 nan 8.360 nan 0.000 0.395 814 A N 3.108 125.973 122.820 0.074 0.000 2.540 814 A HA 0.514 4.834 4.320 -0.000 0.000 0.239 814 A C 0.593 178.258 177.584 0.135 0.000 1.061 814 A CA 0.898 53.016 52.037 0.136 0.000 0.758 814 A CB 0.119 19.181 19.000 0.104 0.000 0.991 814 A HN 0.825 nan 8.150 nan 0.000 0.502 815 G N 1.129 110.025 108.800 0.161 0.000 2.350 815 G HA2 0.403 4.362 3.960 -0.000 0.000 0.276 815 G HA3 0.403 4.362 3.960 -0.000 0.000 0.276 815 G C -1.508 173.352 174.900 -0.068 0.000 1.313 815 G CA -0.751 44.340 45.100 -0.014 0.000 0.903 815 G HN 0.679 nan 8.290 nan 0.000 0.490 816 E N -0.365 119.659 120.200 -0.294 0.000 2.191 816 E HA 0.710 5.059 4.350 -0.000 0.000 0.274 816 E C -1.405 174.841 176.600 -0.590 0.000 0.948 816 E CA -0.298 55.940 56.400 -0.270 0.000 0.802 816 E CB 2.049 31.645 29.700 -0.173 0.000 1.137 816 E HN 0.434 nan 8.360 nan 0.000 0.397 817 Y N 0.189 120.213 120.300 -0.459 0.000 2.615 817 Y HA 0.485 5.035 4.550 -0.000 0.000 0.341 817 Y C -0.725 174.895 175.900 -0.467 0.000 1.089 817 Y CA -1.052 56.740 58.100 -0.514 0.000 1.049 817 Y CB 1.796 39.727 38.460 -0.882 0.000 1.296 817 Y HN 0.332 nan 8.280 nan 0.000 0.470 818 L N 1.838 123.081 121.223 0.033 0.000 2.385 818 L HA 0.767 5.106 4.340 -0.000 0.000 0.273 818 L C -1.516 175.478 176.870 0.208 0.000 0.990 818 L CA -0.777 54.123 54.840 0.101 0.000 0.821 818 L CB 1.885 43.969 42.059 0.041 0.000 1.279 818 L HN 0.485 nan 8.230 nan 0.000 0.412 819 V N 4.422 124.422 119.914 0.144 0.000 2.427 819 V HA 0.716 4.836 4.120 -0.000 0.000 0.286 819 V C -0.479 175.522 176.094 -0.156 0.000 1.034 819 V CA 0.092 62.261 62.300 -0.219 0.000 0.893 819 V CB 1.710 33.301 31.823 -0.387 0.000 0.982 819 V HN 0.903 nan 8.190 nan 0.000 0.452 820 S N 5.301 120.927 115.700 -0.123 0.000 2.519 820 S HA 0.672 5.142 4.470 -0.000 0.000 0.309 820 S C -0.724 173.904 174.600 0.047 0.000 1.100 820 S CA -0.493 57.700 58.200 -0.010 0.000 1.059 820 S CB 1.677 64.902 63.200 0.042 0.000 1.008 820 S HN 0.675 nan 8.310 nan 0.000 0.478 821 V N 2.785 122.714 119.914 0.024 0.000 2.459 821 V HA 0.944 5.064 4.120 -0.000 0.000 0.295 821 V C 0.638 176.770 176.094 0.064 0.000 1.029 821 V CA -0.149 62.177 62.300 0.045 0.000 0.874 821 V CB 1.419 33.242 31.823 0.000 0.000 0.985 821 V HN 1.031 nan 8.190 nan 0.000 0.438 822 G N 2.218 111.076 108.800 0.097 0.000 2.619 822 G HA2 0.514 4.474 3.960 -0.000 0.000 0.305 822 G HA3 0.514 4.474 3.960 -0.000 0.000 0.305 822 G C 0.058 174.974 174.900 0.027 0.000 1.330 822 G CA 0.351 45.487 45.100 0.061 0.000 0.789 822 G HN 0.677 nan 8.290 nan 0.000 0.487 823 T N -2.661 111.883 114.554 -0.016 0.000 3.132 823 T HA 0.542 4.892 4.350 -0.000 0.000 0.274 823 T C 0.622 175.243 174.700 -0.132 0.000 1.011 823 T CA 0.844 62.880 62.100 -0.107 0.000 0.899 823 T CB -0.359 68.429 68.868 -0.133 0.000 1.089 823 T HN 1.767 nan 8.240 nan 0.000 0.543 824 S N -0.018 115.665 115.700 -0.027 0.000 2.636 824 S HA 0.446 4.915 4.470 -0.000 0.000 0.268 824 S C 0.943 175.580 174.600 0.061 0.000 1.159 824 S CA 0.015 58.213 58.200 -0.003 0.000 0.815 824 S CB 0.946 64.192 63.200 0.075 0.000 1.130 824 S HN 0.291 nan 8.310 nan 0.000 0.471 825 S N 0.030 115.758 115.700 0.047 0.000 2.442 825 S HA -0.061 4.408 4.470 -0.000 0.000 0.236 825 S C 0.691 175.164 174.600 -0.212 0.000 1.007 825 S CA 1.484 59.539 58.200 -0.242 0.000 0.965 825 S CB -0.634 62.478 63.200 -0.147 0.000 0.773 825 S HN 0.674 nan 8.310 nan 0.000 0.504 826 D N 1.151 121.525 120.400 -0.044 0.000 2.324 826 D HA 0.104 4.744 4.640 -0.000 0.000 0.212 826 D C 0.127 176.423 176.300 -0.008 0.000 0.984 826 D CA 0.579 54.566 54.000 -0.023 0.000 0.885 826 D CB -0.317 40.497 40.800 0.024 0.000 0.996 826 D HN 0.339 nan 8.370 nan 0.000 0.505 827 D N 1.333 121.746 120.400 0.021 0.000 2.619 827 D HA 0.040 4.680 4.640 -0.000 0.000 0.224 827 D C -0.448 175.859 176.300 0.013 0.000 1.133 827 D CA -0.271 53.746 54.000 0.028 0.000 1.017 827 D CB -0.321 40.506 40.800 0.044 0.000 1.077 827 D HN -0.106 nan 8.370 nan 0.000 0.503 828 I N 3.371 123.940 120.570 -0.001 0.000 2.371 828 I HA 0.074 4.244 4.170 -0.000 0.000 0.290 828 I C 1.337 177.459 176.117 0.007 0.000 1.028 828 I CA -0.131 61.170 61.300 0.003 0.000 1.345 828 I CB 1.419 39.409 38.000 -0.017 0.000 1.407 828 I HN 0.333 nan 8.210 nan 0.000 0.501 829 L N 4.160 125.390 121.223 0.012 0.000 2.672 829 L HA 0.211 4.550 4.340 -0.000 0.000 0.236 829 L C 0.577 177.449 176.870 0.003 0.000 1.092 829 L CA 0.336 55.182 54.840 0.010 0.000 0.887 829 L CB 0.375 42.443 42.059 0.014 0.000 1.168 829 L HN 0.645 nan 8.230 nan 0.000 0.502 830 S N -0.072 115.626 115.700 -0.003 0.000 2.548 830 S HA 0.581 5.051 4.470 -0.000 0.000 0.278 830 S C -1.121 173.459 174.600 -0.034 0.000 1.150 830 S CA -0.609 57.581 58.200 -0.016 0.000 0.907 830 S CB 1.586 64.778 63.200 -0.013 0.000 1.108 830 S HN -0.024 nan 8.310 nan 0.000 0.459 831 V N 1.374 121.257 119.914 -0.050 0.000 3.040 831 V HA 1.028 5.148 4.120 -0.000 0.000 0.312 831 V C -1.190 174.830 176.094 -0.125 0.000 1.115 831 V CA -0.886 61.370 62.300 -0.073 0.000 0.998 831 V CB 1.974 33.770 31.823 -0.044 0.000 1.042 831 V HN 0.958 nan 8.190 nan 0.000 0.433 832 K N 1.476 121.769 120.400 -0.178 0.000 2.553 832 K HA 0.449 4.769 4.320 -0.000 0.000 0.250 832 K C -0.934 175.598 176.600 -0.114 0.000 0.953 832 K CA -0.252 55.875 56.287 -0.267 0.000 0.800 832 K CB 1.980 34.071 32.500 -0.682 0.000 1.243 832 K HN 0.964 nan 8.250 nan 0.000 0.435 833 E N 4.362 124.549 120.200 -0.021 0.000 2.301 833 E HA 0.383 4.733 4.350 -0.000 0.000 0.275 833 E C -0.999 175.751 176.600 0.250 0.000 1.030 833 E CA -0.221 56.223 56.400 0.074 0.000 0.852 833 E CB 0.498 30.211 29.700 0.022 0.000 1.060 833 E HN 0.511 nan 8.360 nan 0.000 0.401 834 F N 0.741 120.778 119.950 0.145 0.000 2.668 834 F HA 0.526 5.052 4.527 -0.000 0.000 0.309 834 F C -0.946 175.004 175.800 0.251 0.000 1.117 834 F CA -1.269 56.874 58.000 0.237 0.000 0.951 834 F CB 1.137 40.387 39.000 0.417 0.000 1.323 834 F HN 0.182 nan 8.300 nan 0.000 0.451 835 K N 1.710 122.319 120.400 0.348 0.000 2.156 835 K HA 0.804 5.124 4.320 -0.000 0.000 0.254 835 K C -1.984 174.802 176.600 0.311 0.000 0.950 835 K CA -0.800 55.621 56.287 0.222 0.000 0.849 835 K CB 2.096 34.695 32.500 0.165 0.000 1.100 835 K HN 0.710 nan 8.250 nan 0.000 0.434 836 V N 3.927 123.998 119.914 0.261 0.000 2.483 836 V HA 0.197 4.316 4.120 -0.000 0.000 0.297 836 V C -0.047 176.143 176.094 0.161 0.000 1.027 836 V CA -0.477 61.958 62.300 0.225 0.000 0.855 836 V CB 1.451 33.406 31.823 0.219 0.000 0.995 836 V HN 0.995 nan 8.190 nan 0.000 0.424 837 E N 2.305 122.576 120.200 0.119 0.000 2.413 837 E HA 0.140 4.489 4.350 -0.000 0.000 0.203 837 E C 0.723 177.372 176.600 0.082 0.000 0.957 837 E CA -0.046 56.411 56.400 0.094 0.000 0.950 837 E CB 0.773 30.521 29.700 0.080 0.000 0.957 837 E HN 0.480 nan 8.360 nan 0.000 0.497 838 K N 2.373 122.816 120.400 0.071 0.000 2.264 838 K HA 0.115 4.435 4.320 -0.000 0.000 0.277 838 K C -0.521 176.113 176.600 0.057 0.000 1.067 838 K CA -0.099 56.224 56.287 0.060 0.000 0.900 838 K CB 0.717 33.243 32.500 0.042 0.000 1.124 838 K HN -0.055 nan 8.250 nan 0.000 0.469 839 E N 2.764 123.009 120.200 0.075 0.000 2.392 839 E HA 0.132 4.482 4.350 -0.000 0.000 0.259 839 E C -0.747 175.893 176.600 0.067 0.000 1.108 839 E CA -0.332 56.109 56.400 0.067 0.000 0.916 839 E CB 0.940 30.719 29.700 0.132 0.000 0.989 839 E HN 0.312 nan 8.360 nan 0.000 0.432 840 L N 2.305 123.552 121.223 0.040 0.000 2.543 840 L HA 0.289 4.628 4.340 -0.000 0.000 0.265 840 L C -1.971 174.958 176.870 0.097 0.000 0.945 840 L CA -0.394 54.516 54.840 0.117 0.000 0.869 840 L CB 1.193 43.328 42.059 0.128 0.000 1.294 840 L HN 0.377 nan 8.230 nan 0.000 0.405 841 Y N 4.835 125.296 120.300 0.267 0.000 2.330 841 Y HA 0.727 5.277 4.550 -0.000 0.000 0.336 841 Y C -0.473 175.605 175.900 0.297 0.000 1.036 841 Y CA -0.047 58.163 58.100 0.183 0.000 1.125 841 Y CB 1.342 39.811 38.460 0.014 0.000 1.194 841 Y HN 0.607 nan 8.280 nan 0.000 0.469 842 W N 1.734 123.190 121.300 0.261 0.000 3.075 842 W HA 0.733 5.393 4.660 -0.000 0.000 0.334 842 W C -2.043 174.684 176.519 0.347 0.000 1.243 842 W CA -1.292 56.190 57.345 0.228 0.000 1.170 842 W CB 1.375 30.920 29.460 0.141 0.000 1.452 842 W HN 0.400 nan 8.180 nan 0.000 0.572 843 K N 0.561 121.256 120.400 0.493 0.000 2.433 843 K HA 0.689 5.008 4.320 -0.000 0.000 0.252 843 K C 0.184 177.147 176.600 0.605 0.000 1.015 843 K CA -0.173 56.398 56.287 0.474 0.000 0.860 843 K CB 2.340 35.029 32.500 0.316 0.000 1.359 843 K HN 0.933 nan 8.250 nan 0.000 0.452 844 G N 0.166 109.328 108.800 0.602 0.000 2.466 844 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.218 844 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.218 844 G C -1.245 173.895 174.900 0.400 0.000 1.237 844 G CA -0.708 44.710 45.100 0.529 0.000 0.954 844 G HN 0.244 nan 8.290 nan 0.000 0.580 845 L N 0.000 121.319 121.223 0.161 0.000 2.949 845 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 845 L CA 0.000 54.783 54.840 -0.095 0.000 0.813 845 L CB 0.000 41.962 42.059 -0.161 0.000 0.961 845 L HN 0.000 nan 8.230 nan 0.000 0.502