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_C 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 GGLAESSLID DATA SEQUENCE AAKPADAENS GLIAKFYSNP VEERSDDEEP FHVTKVNRSN VHLFDFKHEK DATA SEQUENCE VDPKNPYFFV TLTGQYVPQE DGDYIFSLQV YGSGLFYLND ELIIDQKHNQ DATA SEQUENCE ERGSFCFGAG TKERTKKLTL KKGQVYNVRV EYGSGPXXXX XXXXGAGGFQ 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 0.000 174.635 174.600 0.058 0.000 1.055 2 S CA 0.000 58.225 58.200 0.042 0.000 1.107 2 S CB 0.000 63.233 63.200 0.055 0.000 0.593 3 K N 3.140 123.588 120.400 0.080 0.000 2.410 3 K HA 0.261 4.579 4.320 -0.003 0.000 0.200 3 K C -0.737 175.939 176.600 0.128 0.000 1.023 3 K CA -0.061 56.273 56.287 0.078 0.000 1.149 3 K CB -0.213 32.323 32.500 0.061 0.000 0.859 3 K HN 0.592 nan 8.250 nan 0.000 0.514 4 F N 1.294 121.240 119.950 -0.006 0.000 2.382 4 F HA 0.200 4.725 4.527 -0.003 0.000 0.361 4 F C -0.815 174.985 175.800 0.000 0.000 1.109 4 F CA -1.200 56.799 58.000 -0.001 0.000 1.031 4 F CB 0.917 39.918 39.000 0.002 0.000 1.234 4 F HN -0.138 nan 8.300 nan 0.000 0.445 5 D N 4.394 124.704 120.400 -0.151 0.000 2.303 5 D HA 0.304 4.942 4.640 -0.003 0.000 0.236 5 D C 0.674 176.881 176.300 -0.155 0.000 1.068 5 D CA -0.392 53.560 54.000 -0.080 0.000 0.830 5 D CB 1.815 42.573 40.800 -0.070 0.000 1.109 5 D HN 0.309 nan 8.370 nan 0.000 0.496 6 V N 3.897 123.803 119.914 -0.014 0.000 2.261 6 V HA -0.170 3.948 4.120 -0.003 0.000 0.246 6 V C 2.107 178.175 176.094 -0.042 0.000 1.047 6 V CA 1.437 63.738 62.300 0.002 0.000 1.015 6 V CB -0.407 31.465 31.823 0.083 0.000 0.642 6 V HN 0.642 nan 8.190 nan 0.000 0.446 7 E N -0.185 119.996 120.200 -0.030 0.000 2.072 7 E HA -0.242 4.106 4.350 -0.003 0.000 0.191 7 E C 2.182 178.750 176.600 -0.052 0.000 0.985 7 E CA 1.339 57.720 56.400 -0.032 0.000 0.801 7 E CB -0.313 29.375 29.700 -0.019 0.000 0.750 7 E HN 0.720 nan 8.360 nan 0.000 0.452 8 Q N 0.638 120.396 119.800 -0.071 0.000 2.030 8 Q HA -0.163 4.175 4.340 -0.003 0.000 0.204 8 Q C 2.416 178.355 176.000 -0.102 0.000 0.986 8 Q CA 1.275 57.029 55.803 -0.082 0.000 0.843 8 Q CB -0.153 28.529 28.738 -0.093 0.000 0.904 8 Q HN 0.238 nan 8.270 nan 0.000 0.420 9 L N 0.455 121.583 121.223 -0.158 0.000 2.079 9 L HA -0.209 4.129 4.340 -0.003 0.000 0.210 9 L C 2.509 179.322 176.870 -0.095 0.000 1.081 9 L CA 0.514 55.254 54.840 -0.168 0.000 0.752 9 L CB -0.390 41.493 42.059 -0.294 0.000 0.896 9 L HN 0.322 nan 8.230 nan 0.000 0.433 10 L N -0.382 120.800 121.223 -0.069 0.000 2.201 10 L HA -0.145 4.193 4.340 -0.003 0.000 0.212 10 L C 2.619 179.469 176.870 -0.034 0.000 1.105 10 L CA 1.826 56.644 54.840 -0.038 0.000 0.775 10 L CB -0.354 41.692 42.059 -0.023 0.000 0.913 10 L HN 0.330 nan 8.230 nan 0.000 0.440 11 S N -2.379 113.297 115.700 -0.041 0.000 2.501 11 S HA -0.002 4.466 4.470 -0.003 0.000 0.220 11 S C 1.577 176.157 174.600 -0.034 0.000 0.997 11 S CA 0.560 58.740 58.200 -0.032 0.000 0.919 11 S CB -0.247 62.934 63.200 -0.032 0.000 0.778 11 S HN 0.618 nan 8.310 nan 0.000 0.523 12 E N 0.463 120.637 120.200 -0.044 0.000 2.307 12 E HA 0.301 4.649 4.350 -0.003 0.000 0.195 12 E C -0.161 176.418 176.600 -0.034 0.000 0.975 12 E CA -0.211 56.164 56.400 -0.042 0.000 0.878 12 E CB 0.100 29.767 29.700 -0.054 0.000 0.845 12 E HN 0.465 nan 8.360 nan 0.000 0.488 13 L N 3.280 124.483 121.223 -0.034 0.000 2.453 13 L HA 0.021 4.359 4.340 -0.003 0.000 0.272 13 L C 0.502 177.361 176.870 -0.018 0.000 1.182 13 L CA -0.538 54.287 54.840 -0.024 0.000 0.858 13 L CB 0.021 42.069 42.059 -0.020 0.000 1.120 13 L HN 0.177 nan 8.230 nan 0.000 0.474 14 N N 1.545 120.235 118.700 -0.016 0.000 2.366 14 N HA 0.033 4.771 4.740 -0.003 0.000 0.277 14 N C 0.370 175.873 175.510 -0.010 0.000 1.275 14 N CA -0.499 52.543 53.050 -0.013 0.000 0.964 14 N CB 0.356 38.836 38.487 -0.012 0.000 1.167 14 N HN 0.577 nan 8.380 nan 0.000 0.568 15 Q N -1.210 118.585 119.800 -0.008 0.000 2.123 15 Q HA -0.130 4.208 4.340 -0.003 0.000 0.199 15 Q C 0.307 176.303 176.000 -0.006 0.000 0.966 15 Q CA 1.382 57.181 55.803 -0.006 0.000 0.845 15 Q CB -0.059 28.677 28.738 -0.003 0.000 0.907 15 Q HN 0.603 nan 8.270 nan 0.000 0.439 16 D N 0.509 120.904 120.400 -0.008 0.000 2.117 16 D HA -0.155 4.483 4.640 -0.003 0.000 0.198 16 D C 1.578 177.869 176.300 -0.014 0.000 0.982 16 D CA 1.181 55.174 54.000 -0.011 0.000 0.828 16 D CB -0.075 40.717 40.800 -0.013 0.000 0.967 16 D HN 0.381 nan 8.370 nan 0.000 0.464 17 E N 0.834 121.026 120.200 -0.013 0.000 2.051 17 E HA -0.151 4.197 4.350 -0.003 0.000 0.192 17 E C 2.035 178.629 176.600 -0.010 0.000 0.991 17 E CA 0.852 57.244 56.400 -0.012 0.000 0.799 17 E CB 0.003 29.696 29.700 -0.011 0.000 0.748 17 E HN 0.242 nan 8.360 nan 0.000 0.449 18 K N 0.652 121.047 120.400 -0.007 0.000 2.020 18 K HA -0.191 4.127 4.320 -0.003 0.000 0.212 18 K C 2.214 178.811 176.600 -0.006 0.000 1.050 18 K CA 1.455 57.739 56.287 -0.004 0.000 0.929 18 K CB -0.313 32.185 32.500 -0.003 0.000 0.714 18 K HN 0.113 nan 8.250 nan 0.000 0.443 19 I N 1.288 121.853 120.570 -0.008 0.000 2.208 19 I HA -0.309 3.859 4.170 -0.003 0.000 0.245 19 I C 2.610 178.712 176.117 -0.024 0.000 1.097 19 I CA 1.501 62.795 61.300 -0.011 0.000 1.363 19 I CB -0.382 37.614 38.000 -0.007 0.000 1.051 19 I HN 0.252 nan 8.210 nan 0.000 0.413 20 S N 0.844 116.527 115.700 -0.028 0.000 2.442 20 S HA -0.100 4.368 4.470 -0.003 0.000 0.236 20 S C 1.897 176.468 174.600 -0.048 0.000 1.007 20 S CA 0.822 58.996 58.200 -0.043 0.000 0.965 20 S CB -0.662 62.515 63.200 -0.038 0.000 0.773 20 S HN 0.455 nan 8.310 nan 0.000 0.504 21 L N 0.471 121.677 121.223 -0.028 0.000 2.465 21 L HA 0.211 4.549 4.340 -0.003 0.000 0.224 21 L C 1.846 178.693 176.870 -0.038 0.000 1.145 21 L CA 0.511 55.338 54.840 -0.022 0.000 0.834 21 L CB -0.305 41.759 42.059 0.009 0.000 0.944 21 L HN 0.355 nan 8.230 nan 0.000 0.451 22 L N -0.959 120.238 121.223 -0.043 0.000 2.591 22 L HA 0.079 4.417 4.340 -0.003 0.000 0.228 22 L C 0.702 177.519 176.870 -0.088 0.000 1.133 22 L CA -0.002 54.813 54.840 -0.041 0.000 0.880 22 L CB -0.344 41.705 42.059 -0.017 0.000 1.033 22 L HN 0.289 nan 8.230 nan 0.000 0.450 23 S N -1.360 114.252 115.700 -0.147 0.000 2.595 23 S HA 0.758 5.226 4.470 -0.003 0.000 0.281 23 S C -0.317 174.051 174.600 -0.387 0.000 1.117 23 S CA -0.778 57.263 58.200 -0.264 0.000 0.873 23 S CB 2.334 65.405 63.200 -0.214 0.000 1.108 23 S HN 0.023 nan 8.310 nan 0.000 0.477 24 A N 0.978 123.377 122.820 -0.702 0.000 2.346 24 A HA 0.590 4.908 4.320 -0.003 0.000 0.252 24 A C 0.956 178.265 177.584 -0.458 0.000 1.089 24 A CA -0.486 51.065 52.037 -0.810 0.000 0.797 24 A CB -0.057 18.003 19.000 -1.568 0.000 1.047 24 A HN 1.097 nan 8.150 nan 0.000 0.494 25 V N 0.358 120.096 119.914 -0.295 0.000 2.825 25 V HA 0.097 4.215 4.120 -0.003 0.000 0.246 25 V C 0.712 176.678 176.094 -0.215 0.000 1.068 25 V CA 1.929 64.111 62.300 -0.198 0.000 1.088 25 V CB -0.894 30.871 31.823 -0.097 0.000 0.733 25 V HN 1.083 nan 8.190 nan 0.000 0.468 26 D N -2.652 117.637 120.400 -0.186 0.000 3.225 26 D HA 0.172 4.811 4.640 -0.003 0.000 0.294 26 D C 0.634 176.724 176.300 -0.349 0.000 1.306 26 D CA -0.656 53.195 54.000 -0.247 0.000 1.019 26 D CB -0.103 40.686 40.800 -0.019 0.000 1.344 26 D HN -0.115 nan 8.370 nan 0.000 0.615 27 F N -1.279 118.538 119.950 -0.222 0.000 2.333 27 F HA 0.118 4.642 4.527 -0.004 0.000 0.300 27 F C 0.950 176.510 175.800 -0.401 0.000 1.083 27 F CA 0.930 58.606 58.000 -0.540 0.000 1.395 27 F CB -0.127 38.268 39.000 -1.008 0.000 1.056 27 F HN 0.306 nan 8.300 nan 0.000 0.529 28 W N -3.139 118.465 121.300 0.505 0.000 2.079 28 W HA 0.234 4.892 4.660 -0.003 0.000 0.285 28 W C -0.437 176.077 176.519 -0.009 0.000 0.891 28 W CA -0.334 57.188 57.345 0.295 0.000 1.308 28 W CB -0.016 29.450 29.460 0.011 0.000 1.047 28 W HN -0.253 nan 8.180 nan 0.000 0.522 29 H N -0.755 118.575 119.070 0.433 0.000 2.717 29 H HA 0.481 5.035 4.556 -0.003 0.000 0.366 29 H C 0.595 175.969 175.328 0.077 0.000 1.132 29 H CA -0.650 55.560 56.048 0.270 0.000 1.180 29 H CB 1.539 31.406 29.762 0.175 0.000 1.678 29 H HN -0.205 nan 8.280 nan 0.000 0.537 30 T N -1.292 113.386 114.554 0.207 0.000 2.833 30 T HA 0.311 4.659 4.350 -0.003 0.000 0.292 30 T C 0.258 174.983 174.700 0.041 0.000 1.031 30 T CA -1.015 61.107 62.100 0.038 0.000 0.937 30 T CB 0.820 69.746 68.868 0.096 0.000 1.256 30 T HN 0.364 nan 8.240 nan 0.000 0.551 31 K N 0.893 121.294 120.400 0.002 0.000 2.262 31 K HA 0.294 4.612 4.320 -0.003 0.000 0.282 31 K C -0.241 176.374 176.600 0.025 0.000 1.066 31 K CA -0.521 55.762 56.287 -0.007 0.000 0.901 31 K CB 0.581 33.061 32.500 -0.034 0.000 1.089 31 K HN 0.693 nan 8.250 nan 0.000 0.476 32 K N 5.612 126.025 120.400 0.022 0.000 2.322 32 K HA 0.168 4.486 4.320 -0.003 0.000 0.283 32 K C -0.551 176.063 176.600 0.024 0.000 1.042 32 K CA -0.381 55.926 56.287 0.033 0.000 0.958 32 K CB 0.494 33.007 32.500 0.022 0.000 0.984 32 K HN 0.539 nan 8.250 nan 0.000 0.473 33 I N 5.412 126.005 120.570 0.038 0.000 2.557 33 I HA 0.069 4.237 4.170 -0.003 0.000 0.277 33 I C 1.074 177.206 176.117 0.024 0.000 1.106 33 I CA -0.241 61.074 61.300 0.024 0.000 1.180 33 I CB 0.462 38.476 38.000 0.024 0.000 1.392 33 I HN 0.905 nan 8.210 nan 0.000 0.506 34 E N 3.821 124.031 120.200 0.015 0.000 2.113 34 E HA -0.290 4.058 4.350 -0.003 0.000 0.210 34 E C 1.941 178.546 176.600 0.009 0.000 1.040 34 E CA 1.930 58.338 56.400 0.013 0.000 0.847 34 E CB 0.046 29.749 29.700 0.004 0.000 0.755 34 E HN 0.579 nan 8.360 nan 0.000 0.459 35 R N 0.973 121.474 120.500 0.001 0.000 2.241 35 R HA -0.106 4.232 4.340 -0.003 0.000 0.224 35 R C 1.690 177.985 176.300 -0.009 0.000 1.101 35 R CA 1.056 57.153 56.100 -0.005 0.000 0.995 35 R CB -0.104 30.190 30.300 -0.009 0.000 0.870 35 R HN 0.205 nan 8.270 nan 0.000 0.463 36 L N -0.114 121.105 121.223 -0.007 0.000 2.906 36 L HA 0.358 4.696 4.340 -0.003 0.000 0.255 36 L C 0.684 177.548 176.870 -0.009 0.000 1.166 36 L CA 0.195 55.020 54.840 -0.025 0.000 0.977 36 L CB 0.895 42.927 42.059 -0.045 0.000 1.313 36 L HN 0.494 nan 8.230 nan 0.000 0.549 37 G N 1.711 110.527 108.800 0.026 0.000 2.198 37 G HA2 -0.291 3.667 3.960 -0.003 0.000 0.260 37 G HA3 -0.291 3.667 3.960 -0.003 0.000 0.260 37 G C 0.080 175.067 174.900 0.144 0.000 1.025 37 G CA -0.017 45.123 45.100 0.065 0.000 0.769 37 G HN 0.330 nan 8.290 nan 0.000 0.507 38 I N 2.542 123.197 120.570 0.142 0.000 2.301 38 I HA 0.288 4.456 4.170 -0.003 0.000 0.292 38 I C -1.440 174.764 176.117 0.146 0.000 1.046 38 I CA -2.247 59.190 61.300 0.229 0.000 1.282 38 I CB 1.325 39.442 38.000 0.195 0.000 1.409 38 I HN -0.028 nan 8.210 nan 0.000 0.484 39 P HA 0.227 nan 4.420 nan 0.000 0.279 39 P C -0.726 176.627 177.300 0.089 0.000 1.252 39 P CA -0.558 62.595 63.100 0.087 0.000 0.811 39 P CB 1.033 32.774 31.700 0.067 0.000 1.035 40 A N 1.820 124.691 122.820 0.086 0.000 2.488 40 A HA 0.341 4.660 4.320 -0.003 0.000 0.249 40 A C 0.065 177.746 177.584 0.161 0.000 1.083 40 A CA -0.128 51.981 52.037 0.121 0.000 0.768 40 A CB -0.410 18.657 19.000 0.111 0.000 1.017 40 A HN 0.361 nan 8.150 nan 0.000 0.496 41 V N 3.824 123.850 119.914 0.187 0.000 2.435 41 V HA 0.411 4.529 4.120 -0.003 0.000 0.290 41 V C 0.590 176.825 176.094 0.234 0.000 1.030 41 V CA -0.609 61.801 62.300 0.182 0.000 0.881 41 V CB 1.400 33.311 31.823 0.147 0.000 0.983 41 V HN 0.976 nan 8.190 nan 0.000 0.445 42 R N 3.543 124.159 120.500 0.193 0.000 2.312 42 R HA 0.703 5.041 4.340 -0.003 0.000 0.311 42 R C -0.804 175.539 176.300 0.070 0.000 1.004 42 R CA -0.375 55.772 56.100 0.077 0.000 0.902 42 R CB 1.604 31.963 30.300 0.098 0.000 1.073 42 R HN 0.680 nan 8.270 nan 0.000 0.457 43 V N 0.396 120.366 119.914 0.093 0.000 2.715 43 V HA 0.764 4.882 4.120 -0.003 0.000 0.310 43 V C -0.746 175.366 176.094 0.030 0.000 1.054 43 V CA -0.654 61.710 62.300 0.106 0.000 0.928 43 V CB 1.832 33.755 31.823 0.167 0.000 1.007 43 V HN 0.739 nan 8.190 nan 0.000 0.437 44 S N 1.523 117.165 115.700 -0.097 0.000 2.540 44 S HA 0.455 4.923 4.470 -0.003 0.000 0.275 44 S C -0.911 173.516 174.600 -0.289 0.000 1.123 44 S CA -0.648 57.363 58.200 -0.315 0.000 0.907 44 S CB 1.733 64.733 63.200 -0.334 0.000 1.081 44 S HN 0.972 nan 8.310 nan 0.000 0.476 45 D N 1.893 122.046 120.400 -0.411 0.000 2.390 45 D HA 0.507 5.145 4.640 -0.003 0.000 0.236 45 D C 0.647 176.788 176.300 -0.265 0.000 1.189 45 D CA 0.857 54.677 54.000 -0.300 0.000 0.887 45 D CB 1.157 41.777 40.800 -0.300 0.000 1.198 45 D HN 0.730 nan 8.370 nan 0.000 0.444 46 G N -0.048 108.631 108.800 -0.201 0.000 2.871 46 G HA2 0.308 4.266 3.960 -0.003 0.000 0.282 46 G HA3 0.308 4.266 3.960 -0.003 0.000 0.282 46 G C -2.336 172.457 174.900 -0.177 0.000 1.212 46 G CA -0.585 44.412 45.100 -0.173 0.000 0.812 46 G HN 0.240 nan 8.290 nan 0.000 0.547 47 P HA 0.076 nan 4.420 nan 0.000 0.240 47 P C 0.154 177.323 177.300 -0.218 0.000 1.190 47 P CA 0.779 63.750 63.100 -0.214 0.000 0.781 47 P CB -0.015 31.527 31.700 -0.263 0.000 0.931 48 N N -0.491 118.119 118.700 -0.151 0.000 2.599 48 N HA 0.464 5.202 4.740 -0.003 0.000 0.309 48 N C 0.040 175.555 175.510 0.008 0.000 1.743 48 N CA -0.392 52.604 53.050 -0.090 0.000 0.918 48 N CB 0.450 38.977 38.487 0.068 0.000 1.339 48 N HN 0.054 nan 8.380 nan 0.000 0.493 49 G N 0.234 108.939 108.800 -0.158 0.000 2.539 49 G HA2 0.046 4.004 3.960 -0.003 0.000 0.686 49 G HA3 0.046 4.004 3.960 -0.003 0.000 0.686 49 G C -1.532 173.315 174.900 -0.088 0.000 1.258 49 G CA -1.038 44.071 45.100 0.015 0.000 0.846 49 G HN 0.159 nan 8.290 nan 0.000 0.647 50 I N 1.485 122.005 120.570 -0.083 0.000 2.307 50 I HA 0.387 4.555 4.170 -0.003 0.000 0.289 50 I C 1.569 177.573 176.117 -0.188 0.000 1.021 50 I CA -0.514 60.700 61.300 -0.145 0.000 1.224 50 I CB 1.027 38.963 38.000 -0.106 0.000 1.376 50 I HN 0.855 nan 8.210 nan 0.000 0.470 51 R N 4.325 124.663 120.500 -0.271 0.000 2.090 51 R HA 0.110 4.448 4.340 -0.003 0.000 0.228 51 R C 1.068 177.167 176.300 -0.336 0.000 1.110 51 R CA 1.143 57.047 56.100 -0.327 0.000 0.973 51 R CB 0.182 30.208 30.300 -0.457 0.000 0.869 51 R HN 0.966 nan 8.270 nan 0.000 0.440 52 G N -1.237 107.325 108.800 -0.398 0.000 2.615 52 G HA2 -0.325 3.633 3.960 -0.003 0.000 0.218 52 G HA3 -0.325 3.633 3.960 -0.003 0.000 0.218 52 G C 0.467 175.020 174.900 -0.579 0.000 1.339 52 G CA 0.154 45.031 45.100 -0.371 0.000 0.884 52 G HN 0.311 nan 8.290 nan 0.000 0.559 53 T N -1.440 112.899 114.554 -0.358 0.000 3.148 53 T HA 0.374 4.722 4.350 -0.003 0.000 0.253 53 T C 0.692 175.422 174.700 0.049 0.000 1.134 53 T CA 1.701 63.632 62.100 -0.281 0.000 1.051 53 T CB -0.359 68.583 68.868 0.122 0.000 0.959 53 T HN 0.937 nan 8.240 nan 0.000 0.525 54 K N -0.592 119.793 120.400 -0.025 0.000 2.498 54 K HA 0.498 4.816 4.320 -0.003 0.000 0.254 54 K C -0.816 175.837 176.600 0.088 0.000 0.933 54 K CA -0.949 55.437 56.287 0.166 0.000 0.806 54 K CB 1.475 34.103 32.500 0.213 0.000 1.301 54 K HN -0.072 nan 8.250 nan 0.000 0.432 55 F N 0.939 121.077 119.950 0.313 0.000 2.092 55 F HA 0.091 4.616 4.527 -0.003 0.000 0.286 55 F C 1.130 177.105 175.800 0.291 0.000 1.116 55 F CA 0.513 58.697 58.000 0.308 0.000 1.185 55 F CB 0.049 39.349 39.000 0.501 0.000 1.034 55 F HN 0.540 nan 8.300 nan 0.000 0.479 56 F N 2.202 122.441 119.950 0.481 0.000 2.572 56 F HA 0.095 4.620 4.527 -0.002 0.000 0.370 56 F C 0.930 176.899 175.800 0.282 0.000 1.103 56 F CA -0.560 57.641 58.000 0.336 0.000 1.286 56 F CB -0.006 39.196 39.000 0.336 0.000 1.105 56 F HN 0.307 nan 8.300 nan 0.000 0.583 57 D N 2.817 122.779 120.400 -0.731 0.000 2.983 57 D HA -0.171 4.467 4.640 -0.003 0.000 0.225 57 D C 0.344 176.546 176.300 -0.164 0.000 1.174 57 D CA 1.125 54.788 54.000 -0.563 0.000 0.831 57 D CB -1.306 39.125 40.800 -0.615 0.000 1.104 57 D HN 0.955 nan 8.370 nan 0.000 0.421 58 G N -0.594 108.170 108.800 -0.061 0.000 2.544 58 G HA2 0.364 4.322 3.960 -0.003 0.000 0.242 58 G HA3 0.364 4.322 3.960 -0.003 0.000 0.242 58 G C 0.336 175.214 174.900 -0.036 0.000 1.247 58 G CA -0.168 44.915 45.100 -0.028 0.000 0.840 58 G HN 0.294 nan 8.290 nan 0.000 0.578 59 V N 4.101 123.997 119.914 -0.030 0.000 2.521 59 V HA 0.090 4.208 4.120 -0.003 0.000 0.286 59 V C -1.515 174.573 176.094 -0.009 0.000 1.034 59 V CA -0.849 61.448 62.300 -0.006 0.000 1.045 59 V CB 1.116 32.942 31.823 0.006 0.000 0.974 59 V HN 0.571 nan 8.190 nan 0.000 0.480 60 P HA 0.181 nan 4.420 nan 0.000 0.267 60 P C -0.273 177.016 177.300 -0.020 0.000 1.200 60 P CA 0.426 63.545 63.100 0.032 0.000 0.772 60 P CB 0.653 32.455 31.700 0.169 0.000 0.855 61 S N 0.263 115.702 115.700 -0.436 0.000 2.705 61 S HA 0.707 5.175 4.470 -0.003 0.000 0.280 61 S C -0.834 172.882 174.600 -1.474 0.000 1.174 61 S CA -0.606 57.158 58.200 -0.726 0.000 0.823 61 S CB 0.994 64.015 63.200 -0.299 0.000 1.162 61 S HN 0.441 nan 8.310 nan 0.000 0.487 62 G N 1.057 109.271 108.800 -0.977 0.000 2.393 62 G HA2 0.428 4.386 3.960 -0.003 0.000 0.311 62 G HA3 0.428 4.386 3.960 -0.003 0.000 0.311 62 G C -0.116 174.636 174.900 -0.247 0.000 1.067 62 G CA -0.242 44.491 45.100 -0.611 0.000 1.000 62 G HN 0.708 nan 8.290 nan 0.000 0.422 63 C N 4.669 123.812 119.300 -0.262 0.000 2.482 63 C HA 0.602 5.060 4.460 -0.003 0.000 0.378 63 C C 0.485 175.457 174.990 -0.031 0.000 1.284 63 C CA -1.072 57.913 59.018 -0.054 0.000 1.826 63 C CB -1.600 26.087 27.740 -0.088 0.000 2.473 63 C HN 0.532 nan 8.230 nan 0.000 0.562 64 F N 5.829 125.751 119.950 -0.046 0.000 2.378 64 F HA 0.381 4.906 4.527 -0.003 0.000 0.319 64 F C -1.458 174.364 175.800 0.038 0.000 1.155 64 F CA -1.958 56.042 58.000 0.001 0.000 1.157 64 F CB 0.233 39.236 39.000 0.005 0.000 1.252 64 F HN 0.412 nan 8.300 nan 0.000 0.550 65 P HA -0.016 nan 4.420 nan 0.000 0.269 65 P C -0.861 176.563 177.300 0.206 0.000 1.215 65 P CA -0.366 62.860 63.100 0.210 0.000 0.780 65 P CB 0.322 32.126 31.700 0.173 0.000 0.898 66 N N 1.016 119.852 118.700 0.228 0.000 2.381 66 N HA -0.054 4.684 4.740 -0.003 0.000 0.241 66 N C 1.457 177.000 175.510 0.054 0.000 1.279 66 N CA 0.431 53.617 53.050 0.226 0.000 0.896 66 N CB 0.028 38.780 38.487 0.440 0.000 1.118 66 N HN 0.471 nan 8.380 nan 0.000 0.438 67 G N 0.422 109.190 108.800 -0.052 0.000 2.469 67 G HA2 -0.375 3.583 3.960 -0.003 0.000 0.219 67 G HA3 -0.375 3.583 3.960 -0.003 0.000 0.219 67 G C 1.497 176.305 174.900 -0.154 0.000 1.150 67 G CA 1.927 46.902 45.100 -0.209 0.000 0.763 67 G HN 0.841 nan 8.290 nan 0.000 0.561 68 T N -1.151 113.261 114.554 -0.237 0.000 2.867 68 T HA 0.087 4.435 4.350 -0.003 0.000 0.268 68 T C 2.394 176.514 174.700 -0.967 0.000 1.057 68 T CA 1.527 63.368 62.100 -0.433 0.000 1.136 68 T CB -0.458 68.188 68.868 -0.370 0.000 0.874 68 T HN 0.268 nan 8.240 nan 0.000 0.466 69 G N 1.767 109.963 108.800 -1.007 0.000 2.404 69 G HA2 -0.004 3.954 3.960 -0.003 0.000 0.215 69 G HA3 -0.004 3.954 3.960 -0.003 0.000 0.215 69 G C 1.511 176.178 174.900 -0.389 0.000 1.174 69 G CA 0.563 44.993 45.100 -1.116 0.000 0.780 69 G HN 0.498 nan 8.290 nan 0.000 0.537 70 L N 0.772 121.906 121.223 -0.149 0.000 2.051 70 L HA -0.198 4.140 4.340 -0.003 0.000 0.214 70 L C 3.357 180.190 176.870 -0.061 0.000 1.076 70 L CA 1.359 56.198 54.840 -0.003 0.000 0.758 70 L CB -0.397 41.756 42.059 0.156 0.000 0.890 70 L HN 0.336 nan 8.230 nan 0.000 0.433 71 A N -1.317 121.453 122.820 -0.083 0.000 2.014 71 A HA -0.115 4.203 4.320 -0.003 0.000 0.218 71 A C 2.399 179.812 177.584 -0.285 0.000 1.163 71 A CA 1.451 53.352 52.037 -0.227 0.000 0.652 71 A CB -0.380 18.528 19.000 -0.152 0.000 0.808 71 A HN 0.346 nan 8.150 nan 0.000 0.449 72 S N 0.029 115.621 115.700 -0.180 0.000 2.500 72 S HA -0.119 4.349 4.470 -0.003 0.000 0.239 72 S C 2.044 176.744 174.600 0.167 0.000 0.989 72 S CA 1.576 59.798 58.200 0.036 0.000 0.951 72 S CB -0.570 62.675 63.200 0.076 0.000 0.759 72 S HN 0.907 nan 8.310 nan 0.000 0.523 73 T N -1.015 113.578 114.554 0.065 0.000 2.962 73 T HA -0.011 4.337 4.350 -0.003 0.000 0.270 73 T C 0.841 175.662 174.700 0.202 0.000 1.088 73 T CA 0.318 62.480 62.100 0.103 0.000 1.127 73 T CB -0.955 67.947 68.868 0.057 0.000 0.883 73 T HN 0.352 nan 8.240 nan 0.000 0.493 74 F N 1.528 121.394 119.950 -0.140 0.000 3.056 74 F HA -0.160 4.365 4.527 -0.003 0.000 0.266 74 F C 0.190 176.069 175.800 0.131 0.000 0.957 74 F CA 0.647 58.551 58.000 -0.159 0.000 0.894 74 F CB -1.404 37.441 39.000 -0.258 0.000 0.832 74 F HN 0.313 nan 8.300 nan 0.000 0.745 75 D N 0.131 120.654 120.400 0.205 0.000 2.408 75 D HA 0.262 4.900 4.640 -0.003 0.000 0.261 75 D C 1.141 177.486 176.300 0.075 0.000 1.190 75 D CA -0.477 53.614 54.000 0.153 0.000 0.910 75 D CB 0.571 41.427 40.800 0.093 0.000 1.097 75 D HN 0.189 nan 8.370 nan 0.000 0.522 76 R N 1.483 122.022 120.500 0.064 0.000 2.091 76 R HA -0.116 4.222 4.340 -0.003 0.000 0.238 76 R C 0.919 177.192 176.300 -0.044 0.000 1.136 76 R CA 1.274 57.350 56.100 -0.039 0.000 0.959 76 R CB 0.154 30.380 30.300 -0.122 0.000 0.856 76 R HN 0.468 nan 8.270 nan 0.000 0.437 77 D N 0.789 121.175 120.400 -0.023 0.000 2.117 77 D HA -0.142 4.496 4.640 -0.003 0.000 0.198 77 D C 1.948 178.247 176.300 -0.001 0.000 0.982 77 D CA 0.874 54.864 54.000 -0.017 0.000 0.828 77 D CB -0.100 40.692 40.800 -0.012 0.000 0.967 77 D HN 0.077 nan 8.370 nan 0.000 0.464 78 L N 1.062 122.293 121.223 0.013 0.000 2.093 78 L HA -0.077 4.261 4.340 -0.003 0.000 0.208 78 L C 2.235 179.121 176.870 0.027 0.000 1.085 78 L CA 1.142 55.999 54.840 0.028 0.000 0.755 78 L CB -0.404 41.679 42.059 0.040 0.000 0.904 78 L HN -0.038 nan 8.230 nan 0.000 0.435 79 L N -0.926 120.295 121.223 -0.004 0.000 2.141 79 L HA -0.172 4.166 4.340 -0.003 0.000 0.209 79 L C 2.486 179.339 176.870 -0.028 0.000 1.094 79 L CA 1.285 56.108 54.840 -0.028 0.000 0.763 79 L CB -0.496 41.497 42.059 -0.110 0.000 0.908 79 L HN 0.381 nan 8.230 nan 0.000 0.437 80 E N -0.181 120.000 120.200 -0.031 0.000 2.072 80 E HA -0.181 4.167 4.350 -0.003 0.000 0.191 80 E C 2.017 178.622 176.600 0.007 0.000 0.985 80 E CA 1.637 58.023 56.400 -0.024 0.000 0.801 80 E CB 0.140 29.821 29.700 -0.032 0.000 0.750 80 E HN 0.359 nan 8.360 nan 0.000 0.452 81 T N 0.842 115.410 114.554 0.023 0.000 2.665 81 T HA -0.248 4.100 4.350 -0.003 0.000 0.268 81 T C 1.864 176.622 174.700 0.096 0.000 1.035 81 T CA 1.501 63.631 62.100 0.051 0.000 1.151 81 T CB -0.441 68.456 68.868 0.048 0.000 0.862 81 T HN 0.337 nan 8.240 nan 0.000 0.438 82 A N 1.541 124.433 122.820 0.120 0.000 1.873 82 A HA -0.002 4.316 4.320 -0.003 0.000 0.218 82 A C 2.679 180.311 177.584 0.081 0.000 1.193 82 A CA 2.192 54.363 52.037 0.223 0.000 0.629 82 A CB -1.587 17.529 19.000 0.194 0.000 0.826 82 A HN 0.532 nan 8.150 nan 0.000 0.447 83 G N -0.332 108.464 108.800 -0.007 0.000 2.513 83 G HA2 -0.322 3.636 3.960 -0.003 0.000 0.219 83 G HA3 -0.322 3.636 3.960 -0.003 0.000 0.219 83 G C 1.681 176.575 174.900 -0.011 0.000 1.160 83 G CA 1.323 46.393 45.100 -0.050 0.000 0.767 83 G HN 0.614 nan 8.290 nan 0.000 0.571 84 K N -0.583 119.836 120.400 0.032 0.000 2.057 84 K HA 0.057 4.375 4.320 -0.003 0.000 0.206 84 K C 1.436 178.082 176.600 0.077 0.000 1.050 84 K CA 0.042 56.357 56.287 0.046 0.000 0.935 84 K CB -0.310 32.218 32.500 0.047 0.000 0.715 84 K HN 0.301 nan 8.250 nan 0.000 0.439 88 K N 0.485 120.922 120.400 0.062 0.000 2.074 88 K HA -0.159 4.160 4.320 -0.003 0.000 0.209 88 K C 1.619 178.265 176.600 0.077 0.000 1.048 88 K CA 1.652 57.979 56.287 0.067 0.000 0.926 88 K CB -0.093 32.454 32.500 0.078 0.000 0.713 88 K HN 0.506 nan 8.250 nan 0.000 0.444 89 E N 0.126 120.388 120.200 0.103 0.000 2.160 89 E HA -0.157 4.191 4.350 -0.003 0.000 0.195 89 E C 2.018 178.648 176.600 0.050 0.000 0.991 89 E CA 0.892 57.356 56.400 0.106 0.000 0.810 89 E CB -0.057 29.734 29.700 0.153 0.000 0.742 89 E HN 0.144 nan 8.360 nan 0.000 0.466 90 S N 0.127 115.843 115.700 0.027 0.000 2.406 90 S HA 0.004 4.472 4.470 -0.003 0.000 0.224 90 S C 2.060 176.667 174.600 0.012 0.000 1.030 90 S CA 0.110 58.309 58.200 -0.002 0.000 0.958 90 S CB -0.009 63.184 63.200 -0.011 0.000 0.811 90 S HN 0.130 nan 8.310 nan 0.000 0.489 91 I N 1.837 122.424 120.570 0.027 0.000 2.208 91 I HA -0.221 3.947 4.170 -0.003 0.000 0.245 91 I C 2.678 178.814 176.117 0.031 0.000 1.097 91 I CA 1.274 62.591 61.300 0.029 0.000 1.363 91 I CB -0.415 37.604 38.000 0.031 0.000 1.051 91 I HN 0.347 nan 8.210 nan 0.000 0.413 92 A N 0.241 123.085 122.820 0.039 0.000 1.972 92 A HA -0.170 4.148 4.320 -0.003 0.000 0.219 92 A C 2.071 179.676 177.584 0.035 0.000 1.169 92 A CA 1.395 53.458 52.037 0.043 0.000 0.635 92 A CB -0.258 18.782 19.000 0.068 0.000 0.810 92 A HN 0.250 nan 8.150 nan 0.000 0.446 93 K N -0.578 119.834 120.400 0.019 0.000 2.444 93 K HA 0.058 4.376 4.320 -0.003 0.000 0.193 93 K C -0.079 176.526 176.600 0.008 0.000 1.024 93 K CA 0.392 56.678 56.287 -0.002 0.000 1.077 93 K CB -0.472 32.001 32.500 -0.045 0.000 0.833 93 K HN 0.641 nan 8.250 nan 0.000 0.517 94 N N 0.420 119.133 118.700 0.022 0.000 2.708 94 N HA -0.213 4.525 4.740 -0.003 0.000 0.249 94 N C -0.664 174.870 175.510 0.041 0.000 1.097 94 N CA 0.478 53.550 53.050 0.037 0.000 0.710 94 N CB -0.624 37.894 38.487 0.052 0.000 1.032 94 N HN 0.317 nan 8.380 nan 0.000 0.551 95 A N -0.176 122.652 122.820 0.014 0.000 2.276 95 A HA 0.700 5.018 4.320 -0.003 0.000 0.300 95 A C 1.179 178.780 177.584 0.027 0.000 1.235 95 A CA 0.190 52.231 52.037 0.007 0.000 0.867 95 A CB 0.845 19.815 19.000 -0.049 0.000 1.137 95 A HN 0.397 nan 8.150 nan 0.000 0.527 96 A N 2.705 125.557 122.820 0.053 0.000 2.123 96 A HA 0.415 4.733 4.320 -0.003 0.000 0.214 96 A C 0.556 178.188 177.584 0.080 0.000 1.152 96 A CA 0.882 52.962 52.037 0.071 0.000 0.728 96 A CB 0.040 19.090 19.000 0.085 0.000 0.814 96 A HN 0.870 nan 8.150 nan 0.000 0.464 97 V N 0.787 120.732 119.914 0.053 0.000 2.623 97 V HA 0.375 4.494 4.120 -0.003 0.000 0.304 97 V C -0.778 175.312 176.094 -0.007 0.000 1.054 97 V CA -0.478 61.843 62.300 0.035 0.000 0.882 97 V CB 1.764 33.620 31.823 0.055 0.000 1.002 97 V HN 0.308 nan 8.190 nan 0.000 0.424 98 I N 4.949 125.500 120.570 -0.032 0.000 2.359 98 I HA 0.368 4.536 4.170 -0.003 0.000 0.294 98 I C -0.064 176.003 176.117 -0.083 0.000 0.987 98 I CA -0.547 60.709 61.300 -0.074 0.000 1.225 98 I CB 1.642 39.588 38.000 -0.090 0.000 1.366 98 I HN 0.435 nan 8.210 nan 0.000 0.466 99 L N 6.933 128.090 121.223 -0.111 0.000 2.391 99 L HA 0.484 4.822 4.340 -0.003 0.000 0.249 99 L C 0.533 177.314 176.870 -0.148 0.000 1.308 99 L CA -0.142 54.626 54.840 -0.119 0.000 1.209 99 L CB -0.806 41.160 42.059 -0.155 0.000 1.401 99 L HN 0.818 nan 8.230 nan 0.000 0.416 100 G N 1.916 110.634 108.800 -0.137 0.000 2.368 100 G HA2 0.392 4.350 3.960 -0.003 0.000 0.293 100 G HA3 0.392 4.350 3.960 -0.003 0.000 0.293 100 G C -3.356 171.468 174.900 -0.127 0.000 1.467 100 G CA -0.599 44.401 45.100 -0.166 0.000 0.804 100 G HN -0.014 nan 8.290 nan 0.000 0.535 101 P HA 0.490 nan 4.420 nan 0.000 0.284 101 P C -0.553 176.590 177.300 -0.261 0.000 1.287 101 P CA -0.189 62.810 63.100 -0.169 0.000 0.824 101 P CB 1.563 33.265 31.700 0.003 0.000 1.180 102 T N -0.008 114.299 114.554 -0.411 0.000 2.794 102 T HA 0.409 4.757 4.350 -0.003 0.000 0.280 102 T C 0.289 174.722 174.700 -0.446 0.000 0.987 102 T CA -0.025 61.818 62.100 -0.428 0.000 0.993 102 T CB 0.359 68.969 68.868 -0.429 0.000 0.939 102 T HN 0.389 nan 8.240 nan 0.000 0.449 103 T N 3.189 117.577 114.554 -0.278 0.000 3.823 103 T HA 0.268 4.617 4.350 -0.003 0.000 0.261 103 T C 0.063 174.756 174.700 -0.011 0.000 0.983 103 T CA -0.562 61.429 62.100 -0.183 0.000 1.151 103 T CB -0.652 68.110 68.868 -0.175 0.000 1.062 103 T HN 0.538 nan 8.240 nan 0.000 0.542 107 R N -0.861 119.710 120.500 0.119 0.000 2.148 107 R HA 0.168 4.506 4.340 -0.003 0.000 0.227 107 R C 0.608 176.883 176.300 -0.042 0.000 1.103 107 R CA 1.304 57.433 56.100 0.050 0.000 0.983 107 R CB 0.257 30.582 30.300 0.041 0.000 0.874 107 R HN 0.269 nan 8.270 nan 0.000 0.451 108 G N 0.499 109.237 108.800 -0.103 0.000 2.600 108 G HA2 0.406 4.365 3.960 -0.003 0.000 0.303 108 G HA3 0.406 4.365 3.960 -0.003 0.000 0.303 108 G C -2.329 172.320 174.900 -0.419 0.000 1.253 108 G CA -1.577 43.283 45.100 -0.399 0.000 0.974 108 G HN -0.114 nan 8.290 nan 0.000 0.483 109 P HA 0.080 nan 4.420 nan 0.000 0.240 109 P C 1.225 178.364 177.300 -0.269 0.000 1.190 109 P CA 0.249 63.194 63.100 -0.260 0.000 0.781 109 P CB 0.415 31.969 31.700 -0.243 0.000 0.931 110 L N -0.675 120.261 121.223 -0.479 0.000 2.612 110 L HA 0.233 4.571 4.340 -0.003 0.000 0.230 110 L C 1.332 178.278 176.870 0.127 0.000 1.140 110 L CA -0.321 54.403 54.840 -0.193 0.000 0.896 110 L CB -0.811 41.154 42.059 -0.158 0.000 1.065 110 L HN -0.077 nan 8.230 nan 0.000 0.447 111 G N -0.068 108.854 108.800 0.202 0.000 2.305 111 G HA2 0.204 4.162 3.960 -0.003 0.000 0.243 111 G HA3 0.204 4.162 3.960 -0.003 0.000 0.243 111 G C 1.166 176.206 174.900 0.234 0.000 1.288 111 G CA 0.189 45.538 45.100 0.414 0.000 0.901 111 G HN 0.314 nan 8.290 nan 0.000 0.516 112 G N 1.827 110.741 108.800 0.191 0.000 2.507 112 G HA2 -0.234 3.725 3.960 -0.003 0.000 0.221 112 G HA3 -0.234 3.725 3.960 -0.003 0.000 0.221 112 G C 1.496 176.491 174.900 0.158 0.000 1.119 112 G CA 0.476 45.644 45.100 0.114 0.000 0.751 112 G HN 0.627 nan 8.290 nan 0.000 0.574 113 R N -0.076 120.449 120.500 0.042 0.000 2.543 113 R HA 0.197 4.536 4.340 -0.003 0.000 0.323 113 R C 2.401 178.519 176.300 -0.303 0.000 1.002 113 R CA 0.278 56.243 56.100 -0.225 0.000 1.106 113 R CB 0.467 30.647 30.300 -0.200 0.000 1.280 113 R HN 0.253 nan 8.270 nan 0.000 0.549 114 G N 1.858 110.640 108.800 -0.030 0.000 2.505 114 G HA2 -0.347 3.611 3.960 -0.003 0.000 0.220 114 G HA3 -0.347 3.611 3.960 -0.003 0.000 0.220 114 G C 1.269 176.139 174.900 -0.050 0.000 1.145 114 G CA 1.174 46.275 45.100 0.001 0.000 0.761 114 G HN 0.469 nan 8.290 nan 0.000 0.571 115 F N 0.701 120.689 119.950 0.064 0.000 2.333 115 F HA 0.141 4.666 4.527 -0.003 0.000 0.300 115 F C 2.047 177.844 175.800 -0.005 0.000 1.083 115 F CA 1.430 59.477 58.000 0.078 0.000 1.395 115 F CB -0.264 38.856 39.000 0.201 0.000 1.056 115 F HN 0.319 nan 8.300 nan 0.000 0.529 116 E N 0.515 120.059 120.200 -1.093 0.000 2.190 116 E HA 0.037 4.386 4.350 -0.003 0.000 0.191 116 E C 0.847 177.102 176.600 -0.575 0.000 0.978 116 E CA 0.317 56.171 56.400 -0.910 0.000 0.839 116 E CB 0.185 29.248 29.700 -1.062 0.000 0.787 116 E HN 0.428 nan 8.360 nan 0.000 0.473 117 S N -0.557 114.856 115.700 -0.479 0.000 2.652 117 S HA 0.186 4.654 4.470 -0.003 0.000 0.267 117 S C 0.550 174.869 174.600 -0.468 0.000 1.201 117 S CA -0.728 57.183 58.200 -0.482 0.000 0.996 117 S CB 0.313 63.370 63.200 -0.239 0.000 1.054 117 S HN 0.130 nan 8.310 nan 0.000 0.561 118 F N 0.843 120.709 119.950 -0.139 0.000 2.164 118 F HA 0.338 4.863 4.527 -0.003 0.000 0.287 118 F C 1.480 177.210 175.800 -0.116 0.000 1.086 118 F CA 0.397 58.304 58.000 -0.156 0.000 1.249 118 F CB -0.217 38.679 39.000 -0.174 0.000 1.059 118 F HN 0.424 nan 8.300 nan 0.000 0.490 119 S N -1.196 114.592 115.700 0.146 0.000 2.547 119 S HA 0.199 4.667 4.470 -0.003 0.000 0.270 119 S C 0.345 175.025 174.600 0.134 0.000 1.150 119 S CA -0.542 57.748 58.200 0.151 0.000 0.850 119 S CB 1.090 64.387 63.200 0.162 0.000 1.118 119 S HN 0.408 nan 8.310 nan 0.000 0.461 120 E N 1.231 121.534 120.200 0.171 0.000 2.338 120 E HA -0.090 4.258 4.350 -0.003 0.000 0.197 120 E C 0.046 176.651 176.600 0.008 0.000 1.007 120 E CA 0.777 57.233 56.400 0.094 0.000 0.849 120 E CB -0.108 29.676 29.700 0.139 0.000 0.774 120 E HN 0.513 nan 8.360 nan 0.000 0.506 121 D N 1.192 121.621 120.400 0.048 0.000 2.232 121 D HA 0.096 4.734 4.640 -0.003 0.000 0.242 121 D C -1.658 174.674 176.300 0.053 0.000 1.093 121 D CA -2.615 51.384 54.000 -0.002 0.000 0.845 121 D CB 1.661 42.448 40.800 -0.022 0.000 1.124 121 D HN -0.227 nan 8.370 nan 0.000 0.467 122 P HA -0.140 nan 4.420 nan 0.000 0.217 122 P C 0.949 178.307 177.300 0.097 0.000 1.151 122 P CA 0.797 63.932 63.100 0.059 0.000 0.828 122 P CB 0.013 31.754 31.700 0.067 0.000 0.788 123 Y N 0.942 121.280 120.300 0.064 0.000 2.133 123 Y HA -0.139 4.409 4.550 -0.003 0.000 0.287 123 Y C 2.323 178.281 175.900 0.097 0.000 1.134 123 Y CA 1.159 59.315 58.100 0.092 0.000 1.133 123 Y CB -1.122 37.422 38.460 0.141 0.000 0.987 123 Y HN -0.252 nan 8.280 nan 0.000 0.502 124 L N 0.761 122.018 121.223 0.058 0.000 2.042 124 L HA -0.133 4.205 4.340 -0.003 0.000 0.210 124 L C 2.400 179.121 176.870 -0.248 0.000 1.076 124 L CA 2.271 56.993 54.840 -0.196 0.000 0.749 124 L CB -1.384 40.508 42.059 -0.278 0.000 0.893 124 L HN 0.272 nan 8.230 nan 0.000 0.432 125 A N -0.374 122.382 122.820 -0.106 0.000 1.883 125 A HA 0.068 4.386 4.320 -0.003 0.000 0.217 125 A C 1.672 179.162 177.584 -0.156 0.000 1.186 125 A CA 1.197 53.202 52.037 -0.053 0.000 0.624 125 A CB -1.693 17.336 19.000 0.049 0.000 0.822 125 A HN 0.534 nan 8.150 nan 0.000 0.444 129 T N 0.422 114.608 114.554 -0.612 0.000 2.652 129 T HA -0.159 4.189 4.350 -0.003 0.000 0.267 129 T C 2.135 176.732 174.700 -0.173 0.000 1.039 129 T CA 2.384 64.375 62.100 -0.182 0.000 1.153 129 T CB -0.379 68.428 68.868 -0.103 0.000 0.863 129 T HN 0.587 nan 8.240 nan 0.000 0.428 130 S N 0.757 116.341 115.700 -0.192 0.000 2.365 130 S HA -0.166 4.302 4.470 -0.003 0.000 0.225 130 S C 2.331 176.855 174.600 -0.126 0.000 1.039 130 S CA 1.937 60.058 58.200 -0.131 0.000 1.033 130 S CB -0.552 62.581 63.200 -0.111 0.000 0.887 130 S HN 0.485 nan 8.310 nan 0.000 0.447 131 S N 0.617 116.212 115.700 -0.175 0.000 2.355 131 S HA -0.049 4.419 4.470 -0.003 0.000 0.222 131 S C 1.940 176.474 174.600 -0.110 0.000 1.031 131 S CA 1.285 59.400 58.200 -0.141 0.000 0.993 131 S CB -0.621 62.482 63.200 -0.162 0.000 0.859 131 S HN 0.417 nan 8.310 nan 0.000 0.453 132 V N 1.894 121.730 119.914 -0.130 0.000 2.255 132 V HA -0.186 3.932 4.120 -0.003 0.000 0.247 132 V C 2.378 178.438 176.094 -0.057 0.000 1.051 132 V CA 1.667 63.922 62.300 -0.074 0.000 1.018 132 V CB -0.866 30.947 31.823 -0.018 0.000 0.641 132 V HN 0.346 nan 8.190 nan 0.000 0.445 133 V N -0.400 119.481 119.914 -0.056 0.000 2.332 133 V HA -0.326 3.792 4.120 -0.003 0.000 0.248 133 V C 2.426 178.504 176.094 -0.026 0.000 1.055 133 V CA 2.217 64.491 62.300 -0.043 0.000 1.038 133 V CB -0.794 31.003 31.823 -0.045 0.000 0.651 133 V HN 0.540 nan 8.190 nan 0.000 0.450 134 K N 0.239 120.621 120.400 -0.029 0.000 2.032 134 K HA -0.061 4.257 4.320 -0.003 0.000 0.209 134 K C 1.397 177.996 176.600 -0.002 0.000 1.048 134 K CA 1.120 57.400 56.287 -0.012 0.000 0.927 134 K CB -0.584 31.901 32.500 -0.024 0.000 0.712 134 K HN 0.589 nan 8.250 nan 0.000 0.441 138 G N 1.505 110.355 108.800 0.083 0.000 2.448 138 G HA2 -0.209 3.749 3.960 -0.003 0.000 0.219 138 G HA3 -0.209 3.749 3.960 -0.003 0.000 0.219 138 G C 1.153 176.083 174.900 0.049 0.000 1.127 138 G CA 0.746 45.882 45.100 0.059 0.000 0.766 138 G HN 0.086 nan 8.290 nan 0.000 0.552 139 E N 0.278 120.510 120.200 0.054 0.000 2.476 139 E HA 0.173 4.521 4.350 -0.003 0.000 0.191 139 E C 1.761 178.386 176.600 0.042 0.000 1.064 139 E CA 0.488 56.912 56.400 0.040 0.000 0.866 139 E CB -0.100 29.623 29.700 0.040 0.000 0.952 139 E HN 0.439 nan 8.360 nan 0.000 0.492 140 G N 1.219 110.061 108.800 0.070 0.000 2.157 140 G HA2 -0.223 3.735 3.960 -0.003 0.000 0.248 140 G HA3 -0.223 3.735 3.960 -0.003 0.000 0.248 140 G C 0.212 175.220 174.900 0.180 0.000 0.979 140 G CA -0.139 44.979 45.100 0.030 0.000 0.650 140 G HN 0.206 nan 8.290 nan 0.000 0.529 141 I N 1.418 122.120 120.570 0.221 0.000 2.336 141 I HA 0.635 4.803 4.170 -0.003 0.000 0.292 141 I C 0.919 177.159 176.117 0.204 0.000 0.991 141 I CA -0.837 60.584 61.300 0.202 0.000 1.227 141 I CB 1.183 39.236 38.000 0.089 0.000 1.366 141 I HN 0.311 nan 8.210 nan 0.000 0.466 142 A N 5.496 128.415 122.820 0.166 0.000 2.401 142 A HA 0.660 4.978 4.320 -0.003 0.000 0.259 142 A C 0.349 177.896 177.584 -0.062 0.000 1.103 142 A CA -0.295 51.696 52.037 -0.078 0.000 0.789 142 A CB 0.356 19.292 19.000 -0.107 0.000 1.035 142 A HN 0.859 nan 8.150 nan 0.000 0.491 143 A N 1.929 124.689 122.820 -0.100 0.000 2.279 143 A HA 0.724 5.042 4.320 -0.003 0.000 0.303 143 A C 0.224 177.783 177.584 -0.041 0.000 1.108 143 A CA -0.340 51.658 52.037 -0.064 0.000 0.830 143 A CB 0.561 19.526 19.000 -0.058 0.000 1.106 143 A HN 0.842 nan 8.150 nan 0.000 0.493 144 T N 1.644 116.175 114.554 -0.038 0.000 2.991 144 T HA 0.386 4.734 4.350 -0.003 0.000 0.347 144 T C -0.416 174.260 174.700 -0.040 0.000 1.122 144 T CA -0.303 61.790 62.100 -0.012 0.000 1.062 144 T CB 0.431 69.293 68.868 -0.011 0.000 1.043 144 T HN 0.445 nan 8.240 nan 0.000 0.491 145 V N 5.143 125.040 119.914 -0.028 0.000 2.585 145 V HA 0.304 4.422 4.120 -0.003 0.000 0.296 145 V C 0.530 176.657 176.094 0.055 0.000 1.035 145 V CA -0.007 62.263 62.300 -0.050 0.000 1.084 145 V CB -0.055 31.709 31.823 -0.098 0.000 0.953 145 V HN 0.818 nan 8.190 nan 0.000 0.483 146 K N 3.479 123.848 120.400 -0.051 0.000 2.482 146 K HA 0.683 5.001 4.320 -0.003 0.000 0.257 146 K C -1.528 175.005 176.600 -0.110 0.000 0.969 146 K CA -1.090 55.141 56.287 -0.094 0.000 0.842 146 K CB 2.052 34.283 32.500 -0.448 0.000 1.359 146 K HN 0.651 nan 8.250 nan 0.000 0.441 147 H N 0.402 119.648 119.070 0.293 0.000 2.505 147 H HA 0.335 4.889 4.556 -0.003 0.000 0.338 147 H C -1.635 173.840 175.328 0.245 0.000 1.057 147 H CA -0.584 55.591 56.048 0.211 0.000 1.202 147 H CB 1.215 31.009 29.762 0.053 0.000 1.466 147 H HN 0.449 nan 8.280 nan 0.000 0.499 148 F N 4.421 124.357 119.950 -0.022 0.000 2.413 148 F HA 0.453 4.977 4.527 -0.003 0.000 0.359 148 F C -0.614 175.054 175.800 -0.222 0.000 1.122 148 F CA -0.305 57.428 58.000 -0.446 0.000 1.160 148 F CB 0.152 38.794 39.000 -0.598 0.000 1.146 148 F HN 0.345 nan 8.300 nan 0.000 0.514 149 V N 5.020 124.655 119.914 -0.465 0.000 3.188 149 V HA 0.397 4.515 4.120 -0.003 0.000 0.305 149 V C -0.410 175.552 176.094 -0.221 0.000 1.232 149 V CA -0.823 61.203 62.300 -0.457 0.000 1.043 149 V CB 1.934 33.164 31.823 -0.988 0.000 1.068 149 V HN 0.870 nan 8.190 nan 0.000 0.439 150 C N 2.681 121.945 119.300 -0.061 0.000 4.497 150 C HA -0.103 4.355 4.460 -0.003 0.000 0.292 150 C C 0.795 175.788 174.990 0.005 0.000 1.366 150 C CA 0.867 59.843 59.018 -0.070 0.000 1.987 150 C CB -2.788 24.750 27.740 -0.337 0.000 1.241 150 C HN 1.027 nan 8.230 nan 0.000 0.788 151 N N 1.259 119.996 118.700 0.062 0.000 3.178 151 N HA 0.156 4.894 4.740 -0.003 0.000 0.300 151 N C 0.602 176.162 175.510 0.083 0.000 1.242 151 N CA 0.121 53.202 53.050 0.053 0.000 1.192 151 N CB 0.048 38.546 38.487 0.018 0.000 1.463 151 N HN 0.507 nan 8.380 nan 0.000 0.539 152 D N 0.677 121.123 120.400 0.076 0.000 2.363 152 D HA 0.110 4.748 4.640 -0.003 0.000 0.214 152 D C 0.014 176.313 176.300 -0.002 0.000 1.093 152 D CA 0.077 54.132 54.000 0.092 0.000 0.837 152 D CB 0.426 41.310 40.800 0.140 0.000 0.948 152 D HN 0.393 nan 8.370 nan 0.000 0.507 153 L N -3.156 118.002 121.223 -0.108 0.000 2.600 153 L HA 0.498 4.836 4.340 -0.003 0.000 0.257 153 L C 0.386 177.202 176.870 -0.090 0.000 1.048 153 L CA -0.747 53.974 54.840 -0.199 0.000 0.869 153 L CB 1.355 42.969 42.059 -0.742 0.000 1.482 153 L HN -0.475 nan 8.230 nan 0.000 0.408 154 E N -0.449 119.724 120.200 -0.044 0.000 2.216 154 E HA 0.016 4.364 4.350 -0.003 0.000 0.192 154 E C -0.366 176.247 176.600 0.022 0.000 0.973 154 E CA 0.588 56.993 56.400 0.008 0.000 0.851 154 E CB 0.047 29.765 29.700 0.030 0.000 0.804 154 E HN 0.882 nan 8.360 nan 0.000 0.477 155 D N 1.863 122.259 120.400 -0.008 0.000 2.479 155 D HA -0.110 4.528 4.640 -0.003 0.000 0.257 155 D C -0.199 176.103 176.300 0.003 0.000 1.230 155 D CA 0.657 54.659 54.000 0.004 0.000 0.912 155 D CB 0.088 40.863 40.800 -0.042 0.000 1.130 155 D HN -0.032 nan 8.370 nan 0.000 0.515 156 Q N 1.241 121.069 119.800 0.047 0.000 2.475 156 Q HA -0.341 3.998 4.340 -0.003 0.000 0.280 156 Q C 1.291 177.347 176.000 0.092 0.000 1.234 156 Q CA 0.949 56.791 55.803 0.066 0.000 0.873 156 Q CB -0.872 27.879 28.738 0.021 0.000 1.256 156 Q HN 0.747 nan 8.270 nan 0.000 0.475 157 R N -0.743 119.816 120.500 0.098 0.000 2.139 157 R HA -0.186 4.152 4.340 -0.003 0.000 0.243 157 R C 1.249 177.621 176.300 0.119 0.000 1.145 157 R CA 2.036 58.180 56.100 0.074 0.000 0.976 157 R CB -0.578 29.748 30.300 0.043 0.000 0.866 157 R HN 0.343 nan 8.270 nan 0.000 0.449 158 F N 1.949 121.910 119.950 0.019 0.000 2.365 158 F HA -0.102 4.424 4.527 -0.002 0.000 0.300 158 F C 2.270 178.166 175.800 0.161 0.000 1.090 158 F CA 1.549 59.626 58.000 0.128 0.000 1.408 158 F CB 0.187 39.247 39.000 0.100 0.000 1.060 158 F HN 0.255 nan 8.300 nan 0.000 0.534 159 S N -2.847 112.993 115.700 0.234 0.000 2.578 159 S HA 0.128 4.596 4.470 -0.003 0.000 0.228 159 S C 0.687 175.259 174.600 -0.047 0.000 1.022 159 S CA -0.406 57.839 58.200 0.075 0.000 0.967 159 S CB -0.207 63.029 63.200 0.060 0.000 0.914 159 S HN 0.031 nan 8.310 nan 0.000 0.515 160 S N 3.146 118.835 115.700 -0.019 0.000 2.516 160 S HA 0.261 4.729 4.470 -0.003 0.000 0.282 160 S C -0.207 174.324 174.600 -0.116 0.000 1.286 160 S CA -0.389 57.776 58.200 -0.059 0.000 1.066 160 S CB -0.252 62.922 63.200 -0.044 0.000 0.884 160 S HN 0.490 nan 8.310 nan 0.000 0.491 161 N N 3.761 122.385 118.700 -0.126 0.000 2.462 161 N HA 0.200 4.938 4.740 -0.003 0.000 0.242 161 N C -1.010 174.404 175.510 -0.158 0.000 1.010 161 N CA -0.156 52.793 53.050 -0.169 0.000 0.939 161 N CB 0.668 39.064 38.487 -0.152 0.000 1.127 161 N HN 0.400 nan 8.380 nan 0.000 0.509 162 S N 4.225 119.790 115.700 -0.224 0.000 2.430 162 S HA 0.297 4.765 4.470 -0.003 0.000 0.282 162 S C 0.515 174.827 174.600 -0.480 0.000 1.186 162 S CA -0.395 57.585 58.200 -0.366 0.000 1.060 162 S CB -0.104 62.765 63.200 -0.553 0.000 0.966 162 S HN 0.452 nan 8.310 nan 0.000 0.501 163 I N 4.186 124.533 120.570 -0.370 0.000 2.307 163 I HA 0.458 4.626 4.170 -0.003 0.000 0.289 163 I C -0.331 175.588 176.117 -0.329 0.000 1.021 163 I CA -0.462 60.672 61.300 -0.276 0.000 1.224 163 I CB 1.210 39.138 38.000 -0.121 0.000 1.376 163 I HN 0.281 nan 8.210 nan 0.000 0.470 164 V N 6.188 125.892 119.914 -0.350 0.000 2.817 164 V HA 0.392 4.510 4.120 -0.003 0.000 0.303 164 V C 0.033 176.021 176.094 -0.176 0.000 1.151 164 V CA -0.385 61.722 62.300 -0.320 0.000 0.929 164 V CB 2.526 33.941 31.823 -0.680 0.000 1.030 164 V HN 0.842 nan 8.190 nan 0.000 0.427 165 S N 3.553 119.212 115.700 -0.068 0.000 2.584 165 S HA 0.186 4.654 4.470 -0.003 0.000 0.270 165 S C 0.961 175.511 174.600 -0.082 0.000 1.346 165 S CA 0.791 58.962 58.200 -0.048 0.000 1.018 165 S CB 1.220 64.427 63.200 0.012 0.000 0.899 165 S HN 1.018 nan 8.310 nan 0.000 0.542 166 E N 1.065 121.213 120.200 -0.086 0.000 2.153 166 E HA -0.156 4.192 4.350 -0.003 0.000 0.194 166 E C 2.169 178.620 176.600 -0.247 0.000 0.988 166 E CA 1.488 57.781 56.400 -0.179 0.000 0.811 166 E CB -0.204 29.429 29.700 -0.112 0.000 0.746 166 E HN 0.760 nan 8.360 nan 0.000 0.466 167 R N -0.361 120.111 120.500 -0.048 0.000 2.073 167 R HA -0.114 4.224 4.340 -0.003 0.000 0.234 167 R C 2.163 178.434 176.300 -0.047 0.000 1.134 167 R CA 1.567 57.673 56.100 0.011 0.000 0.952 167 R CB -0.407 29.972 30.300 0.133 0.000 0.850 167 R HN 0.239 nan 8.270 nan 0.000 0.433 168 A N 0.928 123.756 122.820 0.013 0.000 1.930 168 A HA -0.123 4.196 4.320 -0.003 0.000 0.217 168 A C 2.010 179.691 177.584 0.161 0.000 1.175 168 A CA 0.999 53.097 52.037 0.101 0.000 0.627 168 A CB -0.569 18.556 19.000 0.208 0.000 0.815 168 A HN 0.380 nan 8.150 nan 0.000 0.443 169 L N -0.249 121.007 121.223 0.055 0.000 2.012 169 L HA -0.166 4.172 4.340 -0.003 0.000 0.210 169 L C 2.414 179.291 176.870 0.012 0.000 1.073 169 L CA 1.918 56.787 54.840 0.048 0.000 0.748 169 L CB -0.535 41.428 42.059 -0.159 0.000 0.891 169 L HN 0.247 nan 8.230 nan 0.000 0.431 170 R N -0.156 120.218 120.500 -0.209 0.000 2.062 170 R HA -0.054 4.284 4.340 -0.003 0.000 0.229 170 R C 2.168 178.531 176.300 0.104 0.000 1.128 170 R CA 1.589 57.529 56.100 -0.266 0.000 0.960 170 R CB -0.529 29.084 30.300 -1.146 0.000 0.855 170 R HN 0.573 nan 8.270 nan 0.000 0.432 171 E N -0.134 120.114 120.200 0.079 0.000 2.158 171 E HA -0.031 4.317 4.350 -0.003 0.000 0.191 171 E C 1.674 178.337 176.600 0.105 0.000 0.982 171 E CA 0.616 57.156 56.400 0.233 0.000 0.823 171 E CB 0.223 30.029 29.700 0.177 0.000 0.766 171 E HN 0.157 nan 8.360 nan 0.000 0.468 172 I N -0.941 119.609 120.570 -0.033 0.000 3.136 172 I HA -0.042 4.126 4.170 -0.003 0.000 0.262 172 I C 1.638 177.560 176.117 -0.324 0.000 1.132 172 I CA 0.998 62.113 61.300 -0.309 0.000 1.450 172 I CB -0.877 36.707 38.000 -0.694 0.000 1.315 172 I HN 0.060 nan 8.210 nan 0.000 0.460 173 Y N 0.672 121.062 120.300 0.150 0.000 2.396 173 Y HA 0.194 4.742 4.550 -0.003 0.000 0.292 173 Y C 2.434 178.504 175.900 0.283 0.000 1.128 173 Y CA 0.443 58.653 58.100 0.184 0.000 1.194 173 Y CB -0.401 38.129 38.460 0.116 0.000 1.124 173 Y HN -0.101 nan 8.280 nan 0.000 0.543 174 L N 0.078 121.520 121.223 0.364 0.000 2.291 174 L HA -0.130 4.208 4.340 -0.003 0.000 0.214 174 L C 2.298 179.521 176.870 0.589 0.000 1.120 174 L CA 1.152 56.292 54.840 0.499 0.000 0.799 174 L CB -0.212 42.096 42.059 0.414 0.000 0.925 174 L HN 0.181 nan 8.230 nan 0.000 0.446 175 E N 0.965 121.394 120.200 0.383 0.000 2.077 175 E HA -0.164 4.184 4.350 -0.003 0.000 0.193 175 E C -0.645 176.058 176.600 0.172 0.000 0.989 175 E CA 1.363 57.928 56.400 0.275 0.000 0.800 175 E CB -0.914 28.925 29.700 0.233 0.000 0.746 175 E HN 0.273 nan 8.360 nan 0.000 0.452 176 P HA -0.100 nan 4.420 nan 0.000 0.221 176 P C 0.928 178.170 177.300 -0.098 0.000 1.150 176 P CA 1.016 64.106 63.100 -0.016 0.000 0.800 176 P CB -0.132 31.526 31.700 -0.070 0.000 0.787 177 F N 0.651 120.682 119.950 0.136 0.000 2.128 177 F HA 0.003 4.528 4.527 -0.003 0.000 0.295 177 F C 3.001 178.737 175.800 -0.107 0.000 1.100 177 F CA 1.133 59.211 58.000 0.130 0.000 1.260 177 F CB -0.861 38.412 39.000 0.455 0.000 1.009 177 F HN -0.220 nan 8.300 nan 0.000 0.476 178 R N 0.727 121.159 120.500 -0.114 0.000 2.096 178 R HA -0.195 4.143 4.340 -0.003 0.000 0.240 178 R C 2.152 178.159 176.300 -0.489 0.000 1.139 178 R CA 1.688 57.264 56.100 -0.872 0.000 0.952 178 R CB -0.637 29.267 30.300 -0.661 0.000 0.854 178 R HN 0.313 nan 8.270 nan 0.000 0.436 179 L N -0.028 121.057 121.223 -0.231 0.000 2.056 179 L HA -0.123 4.215 4.340 -0.003 0.000 0.207 179 L C 2.731 179.531 176.870 -0.117 0.000 1.078 179 L CA 1.258 56.019 54.840 -0.130 0.000 0.749 179 L CB -0.505 41.543 42.059 -0.018 0.000 0.901 179 L HN 0.322 nan 8.230 nan 0.000 0.433 180 A N -0.423 122.314 122.820 -0.138 0.000 1.877 180 A HA -0.161 4.157 4.320 -0.003 0.000 0.216 180 A C 2.356 179.866 177.584 -0.123 0.000 1.186 180 A CA 1.833 53.795 52.037 -0.124 0.000 0.620 180 A CB -0.858 18.045 19.000 -0.161 0.000 0.822 180 A HN 0.178 nan 8.150 nan 0.000 0.443 181 V N 0.296 120.100 119.914 -0.183 0.000 2.295 181 V HA -0.277 3.841 4.120 -0.003 0.000 0.246 181 V C 2.602 178.622 176.094 -0.124 0.000 1.049 181 V CA 2.490 64.706 62.300 -0.140 0.000 1.024 181 V CB -0.602 31.113 31.823 -0.180 0.000 0.648 181 V HN 0.756 nan 8.190 nan 0.000 0.447 182 K N -1.157 119.071 120.400 -0.286 0.000 2.097 182 K HA -0.195 4.123 4.320 -0.003 0.000 0.206 182 K C 2.078 178.446 176.600 -0.386 0.000 1.049 182 K CA 1.664 57.724 56.287 -0.378 0.000 0.933 182 K CB -0.116 32.026 32.500 -0.596 0.000 0.717 182 K HN 0.568 nan 8.250 nan 0.000 0.442 183 H N -1.733 117.281 119.070 -0.092 0.000 2.553 183 H HA 0.237 4.791 4.556 -0.003 0.000 0.276 183 H C 1.068 176.361 175.328 -0.059 0.000 0.979 183 H CA 1.066 57.065 56.048 -0.082 0.000 1.268 183 H CB 1.027 30.723 29.762 -0.110 0.000 1.450 183 H HN 0.352 nan 8.280 nan 0.000 0.527 184 A N 0.330 123.173 122.820 0.040 0.000 2.427 184 A HA 0.068 4.386 4.320 -0.003 0.000 0.225 184 A C 0.564 178.173 177.584 0.042 0.000 1.257 184 A CA 0.172 52.225 52.037 0.027 0.000 0.985 184 A CB 0.209 19.208 19.000 -0.002 0.000 1.136 184 A HN 0.280 nan 8.150 nan 0.000 0.538 185 N N 0.552 119.294 118.700 0.070 0.000 2.650 185 N HA -0.102 4.636 4.740 -0.003 0.000 0.272 185 N C -2.566 173.055 175.510 0.186 0.000 1.058 185 N CA 0.815 53.969 53.050 0.172 0.000 0.765 185 N CB -0.706 37.857 38.487 0.126 0.000 0.902 185 N HN 0.355 nan 8.380 nan 0.000 0.551 186 P HA -0.005 nan 4.420 nan 0.000 0.269 186 P C 1.042 178.481 177.300 0.232 0.000 1.209 186 P CA -0.330 62.851 63.100 0.135 0.000 0.776 186 P CB 0.849 32.596 31.700 0.079 0.000 0.876 187 V N 1.352 121.239 119.914 -0.045 0.000 2.453 187 V HA -0.122 3.996 4.120 -0.003 0.000 0.247 187 V C 1.182 177.307 176.094 0.052 0.000 1.048 187 V CA 1.619 63.807 62.300 -0.188 0.000 1.049 187 V CB -0.282 31.181 31.823 -0.599 0.000 0.672 187 V HN 0.632 nan 8.190 nan 0.000 0.457 188 C N -1.065 118.327 119.300 0.152 0.000 2.779 188 C HA 0.721 5.179 4.460 -0.003 0.000 0.314 188 C C -0.034 175.112 174.990 0.260 0.000 1.231 188 C CA -0.956 58.211 59.018 0.247 0.000 1.652 188 C CB 1.732 29.540 27.740 0.113 0.000 2.198 188 C HN 0.289 nan 8.230 nan 0.000 0.483 192 A N 0.886 123.743 122.820 0.061 0.000 2.313 192 A HA 0.657 4.975 4.320 -0.003 0.000 0.261 192 A C 0.623 178.179 177.584 -0.046 0.000 1.090 192 A CA -0.572 51.449 52.037 -0.028 0.000 0.807 192 A CB -0.165 18.840 19.000 0.007 0.000 1.055 192 A HN 0.905 nan 8.150 nan 0.000 0.492 193 Y N 0.813 121.075 120.300 -0.063 0.000 2.293 193 Y HA -0.119 4.429 4.550 -0.003 0.000 0.291 193 Y C 1.770 177.732 175.900 0.104 0.000 1.137 193 Y CA 1.246 59.310 58.100 -0.061 0.000 1.202 193 Y CB -0.370 37.879 38.460 -0.353 0.000 0.990 193 Y HN 0.771 nan 8.280 nan 0.000 0.537 194 N N 1.033 119.842 118.700 0.181 0.000 2.366 194 N HA 0.106 4.844 4.740 -0.003 0.000 0.277 194 N C -0.581 174.925 175.510 -0.008 0.000 1.275 194 N CA -0.369 52.725 53.050 0.073 0.000 0.964 194 N CB 1.012 39.492 38.487 -0.011 0.000 1.167 194 N HN 0.073 nan 8.380 nan 0.000 0.568 195 K N -0.536 119.744 120.400 -0.200 0.000 2.139 195 K HA 0.545 4.863 4.320 -0.003 0.000 0.243 195 K C -0.879 175.572 176.600 -0.248 0.000 0.983 195 K CA -0.923 55.193 56.287 -0.284 0.000 0.890 195 K CB 1.761 34.003 32.500 -0.429 0.000 1.090 195 K HN 0.226 nan 8.250 nan 0.000 0.445 196 V N 2.823 122.584 119.914 -0.254 0.000 2.444 196 V HA 0.125 4.243 4.120 -0.003 0.000 0.294 196 V C -0.398 175.544 176.094 -0.254 0.000 1.022 196 V CA -0.903 61.221 62.300 -0.293 0.000 0.850 196 V CB 1.095 32.728 31.823 -0.317 0.000 0.992 196 V HN 0.826 nan 8.190 nan 0.000 0.426 197 N N 4.277 122.825 118.700 -0.253 0.000 2.727 197 N HA -0.220 4.518 4.740 -0.003 0.000 0.249 197 N C 1.101 176.510 175.510 -0.169 0.000 1.048 197 N CA 1.526 54.457 53.050 -0.199 0.000 0.714 197 N CB -1.008 37.367 38.487 -0.186 0.000 0.959 197 N HN 1.512 nan 8.380 nan 0.000 0.544 198 G N -1.188 107.500 108.800 -0.185 0.000 2.194 198 G HA2 -0.300 3.659 3.960 -0.003 0.000 0.236 198 G HA3 -0.300 3.659 3.960 -0.003 0.000 0.236 198 G C -0.238 174.548 174.900 -0.190 0.000 0.987 198 G CA 0.491 45.488 45.100 -0.171 0.000 0.635 198 G HN 0.640 nan 8.290 nan 0.000 0.520 199 E N 0.335 120.417 120.200 -0.196 0.000 2.199 199 E HA 0.606 4.954 4.350 -0.003 0.000 0.265 199 E C -0.026 176.472 176.600 -0.169 0.000 0.882 199 E CA -0.863 55.441 56.400 -0.159 0.000 0.759 199 E CB 0.497 30.136 29.700 -0.103 0.000 1.148 199 E HN 0.407 nan 8.360 nan 0.000 0.412 200 H N 3.058 122.053 119.070 -0.126 0.000 3.094 200 H HA -0.061 4.493 4.556 -0.003 0.000 0.320 200 H C 0.814 176.114 175.328 -0.047 0.000 1.000 200 H CA 0.371 56.352 56.048 -0.112 0.000 1.413 200 H CB 0.567 30.248 29.762 -0.135 0.000 1.405 200 H HN 0.696 nan 8.280 nan 0.000 0.586 201 C N 1.645 120.993 119.300 0.079 0.000 2.413 201 C HA -0.201 4.257 4.460 -0.003 0.000 0.277 201 C C 2.660 177.699 174.990 0.081 0.000 1.265 201 C CA 1.480 60.506 59.018 0.014 0.000 1.752 201 C CB -0.978 26.738 27.740 -0.039 0.000 1.998 201 C HN 0.950 nan 8.230 nan 0.000 0.489 202 S N 1.096 116.887 115.700 0.152 0.000 2.595 202 S HA -0.141 4.327 4.470 -0.003 0.000 0.235 202 S C 1.157 175.803 174.600 0.077 0.000 0.974 202 S CA 1.090 59.356 58.200 0.110 0.000 0.942 202 S CB -0.655 62.597 63.200 0.087 0.000 0.766 202 S HN 0.938 nan 8.310 nan 0.000 0.536 203 Q N -0.090 119.761 119.800 0.085 0.000 2.023 203 Q HA 0.348 4.686 4.340 -0.003 0.000 0.221 203 Q C -0.312 175.704 176.000 0.026 0.000 0.806 203 Q CA -0.296 55.534 55.803 0.045 0.000 1.052 203 Q CB 0.108 28.868 28.738 0.037 0.000 1.229 203 Q HN 0.250 nan 8.270 nan 0.000 0.440 204 S N 1.271 116.982 115.700 0.018 0.000 2.400 204 S HA 0.174 4.642 4.470 -0.003 0.000 0.295 204 S C 0.782 175.373 174.600 -0.015 0.000 1.113 204 S CA -0.439 57.751 58.200 -0.017 0.000 1.064 204 S CB 1.191 64.358 63.200 -0.054 0.000 0.990 204 S HN 0.477 nan 8.310 nan 0.000 0.502 205 K N 4.796 125.185 120.400 -0.019 0.000 2.097 205 K HA -0.144 4.174 4.320 -0.003 0.000 0.206 205 K C 2.026 178.608 176.600 -0.031 0.000 1.049 205 K CA 1.492 57.770 56.287 -0.015 0.000 0.933 205 K CB -0.186 32.305 32.500 -0.015 0.000 0.717 205 K HN 0.713 nan 8.250 nan 0.000 0.442 206 K N 0.897 121.266 120.400 -0.052 0.000 2.020 206 K HA -0.189 4.129 4.320 -0.003 0.000 0.212 206 K C 2.093 178.637 176.600 -0.094 0.000 1.050 206 K CA 1.807 58.047 56.287 -0.078 0.000 0.929 206 K CB -0.194 32.246 32.500 -0.099 0.000 0.714 206 K HN 0.176 nan 8.250 nan 0.000 0.443 207 L N 0.581 121.751 121.223 -0.088 0.000 2.044 207 L HA -0.125 4.213 4.340 -0.003 0.000 0.205 207 L C 2.380 179.294 176.870 0.074 0.000 1.075 207 L CA 0.997 55.806 54.840 -0.051 0.000 0.747 207 L CB -0.287 41.695 42.059 -0.128 0.000 0.903 207 L HN 0.229 nan 8.230 nan 0.000 0.435 208 L N -1.304 119.953 121.223 0.058 0.000 2.446 208 L HA 0.044 4.382 4.340 -0.003 0.000 0.219 208 L C 1.956 178.850 176.870 0.040 0.000 1.116 208 L CA 0.525 55.409 54.840 0.074 0.000 0.844 208 L CB 0.090 42.197 42.059 0.079 0.000 0.970 208 L HN 0.244 nan 8.230 nan 0.000 0.457 209 I N -1.147 119.429 120.570 0.010 0.000 3.518 209 I HA 0.003 4.171 4.170 -0.003 0.000 0.260 209 I C 1.594 177.701 176.117 -0.017 0.000 1.148 209 I CA 0.219 61.523 61.300 0.008 0.000 1.440 209 I CB 0.008 38.014 38.000 0.010 0.000 1.485 209 I HN 0.015 nan 8.210 nan 0.000 0.456 210 D N 1.755 122.132 120.400 -0.038 0.000 2.117 210 D HA -0.097 4.541 4.640 -0.003 0.000 0.197 210 D C 2.152 178.397 176.300 -0.091 0.000 0.987 210 D CA 1.545 55.518 54.000 -0.045 0.000 0.829 210 D CB 0.048 40.819 40.800 -0.048 0.000 0.961 210 D HN 0.309 nan 8.370 nan 0.000 0.460 211 I N 0.073 120.532 120.570 -0.184 0.000 2.260 211 I HA -0.124 4.044 4.170 -0.003 0.000 0.237 211 I C 2.430 178.229 176.117 -0.530 0.000 1.075 211 I CA 0.393 61.435 61.300 -0.429 0.000 1.376 211 I CB -0.202 37.478 38.000 -0.533 0.000 1.107 211 I HN -0.091 nan 8.210 nan 0.000 0.420 212 L N 0.349 121.354 121.223 -0.363 0.000 2.079 212 L HA -0.193 4.145 4.340 -0.003 0.000 0.210 212 L C 2.745 179.693 176.870 0.129 0.000 1.081 212 L CA 1.257 56.005 54.840 -0.154 0.000 0.752 212 L CB -0.476 41.540 42.059 -0.071 0.000 0.896 212 L HN 0.291 nan 8.230 nan 0.000 0.433 213 R N -0.592 119.954 120.500 0.077 0.000 2.064 213 R HA 0.040 4.378 4.340 -0.003 0.000 0.210 213 R C 1.843 178.206 176.300 0.105 0.000 1.221 213 R CA 0.759 56.929 56.100 0.115 0.000 1.055 213 R CB -0.942 29.401 30.300 0.073 0.000 0.946 213 R HN 0.214 nan 8.270 nan 0.000 0.459 214 D N 1.070 121.509 120.400 0.065 0.000 2.144 214 D HA -0.126 4.512 4.640 -0.003 0.000 0.200 214 D C 1.699 178.068 176.300 0.115 0.000 0.978 214 D CA 1.095 55.139 54.000 0.073 0.000 0.833 214 D CB 0.106 40.934 40.800 0.046 0.000 0.961 214 D HN 0.369 nan 8.370 nan 0.000 0.470 215 E N -0.888 119.381 120.200 0.115 0.000 2.057 215 E HA -0.078 4.270 4.350 -0.003 0.000 0.190 215 E C 1.408 178.259 176.600 0.418 0.000 0.969 215 E CA 0.399 56.932 56.400 0.221 0.000 0.812 215 E CB 0.130 29.935 29.700 0.176 0.000 0.777 215 E HN 0.176 nan 8.360 nan 0.000 0.455 216 W N 0.978 122.369 121.300 0.152 0.000 2.942 216 W HA 0.195 4.853 4.660 -0.003 0.000 0.263 216 W C 0.323 176.937 176.519 0.158 0.000 1.296 216 W CA -0.001 57.438 57.345 0.158 0.000 1.504 216 W CB 0.467 30.017 29.460 0.150 0.000 1.096 216 W HN 0.014 nan 8.180 nan 0.000 0.639 217 K N -1.584 119.024 120.400 0.347 0.000 3.160 217 K HA -0.266 4.053 4.320 -0.003 0.000 0.280 217 K C -0.161 176.598 176.600 0.264 0.000 1.154 217 K CA 1.040 57.468 56.287 0.236 0.000 0.822 217 K CB -2.401 30.199 32.500 0.167 0.000 1.239 217 K HN 0.315 nan 8.250 nan 0.000 0.489 218 W N 1.810 123.197 121.300 0.145 0.000 2.170 218 W HA 0.184 4.842 4.660 -0.003 0.000 0.336 218 W C 0.739 177.288 176.519 0.050 0.000 1.283 218 W CA 0.392 57.796 57.345 0.098 0.000 1.224 218 W CB 0.568 30.108 29.460 0.133 0.000 1.132 218 W HN 0.103 nan 8.180 nan 0.000 0.571 219 D N 2.994 122.919 120.400 -0.791 0.000 2.673 219 D HA 0.225 4.863 4.640 -0.003 0.000 0.278 219 D C 0.437 176.162 176.300 -0.958 0.000 1.393 219 D CA -0.062 53.557 54.000 -0.635 0.000 0.805 219 D CB -0.267 40.353 40.800 -0.299 0.000 1.110 219 D HN 0.388 nan 8.370 nan 0.000 0.476 225 D N 0.378 120.810 120.400 0.053 0.000 2.369 225 D HA 0.133 4.771 4.640 -0.003 0.000 0.241 225 D C -0.416 176.094 176.300 0.350 0.000 1.271 225 D CA -0.264 53.794 54.000 0.097 0.000 0.942 225 D CB 0.492 40.864 40.800 -0.714 0.000 1.129 225 D HN 0.606 nan 8.370 nan 0.000 0.476 226 W N 2.257 123.631 121.300 0.124 0.000 2.529 226 W HA 0.100 4.758 4.660 -0.003 0.000 0.319 226 W C 0.287 177.075 176.519 0.448 0.000 1.362 226 W CA -0.512 56.958 57.345 0.208 0.000 1.348 226 W CB -0.213 29.451 29.460 0.340 0.000 1.403 226 W HN 0.480 nan 8.180 nan 0.000 0.519 227 F N 0.785 120.995 119.950 0.434 0.000 2.699 227 F HA -0.229 4.296 4.527 -0.003 0.000 0.343 227 F C 1.533 177.555 175.800 0.370 0.000 0.633 227 F CA 0.627 58.878 58.000 0.417 0.000 1.365 227 F CB -1.718 37.610 39.000 0.546 0.000 1.795 227 F HN 0.501 nan 8.300 nan 0.000 0.304 228 G N 1.207 110.242 108.800 0.392 0.000 3.455 228 G HA2 0.425 4.383 3.960 -0.003 0.000 0.250 228 G HA3 0.425 4.383 3.960 -0.003 0.000 0.250 228 G C -0.044 174.558 174.900 -0.496 0.000 1.071 228 G CA 0.585 45.719 45.100 0.057 0.000 1.812 228 G HN 0.206 nan 8.290 nan 0.000 0.643 229 T N -0.399 113.695 114.554 -0.768 0.000 2.876 229 T HA 0.428 4.776 4.350 -0.003 0.000 0.289 229 T C -0.394 173.426 174.700 -1.466 0.000 1.014 229 T CA -0.340 61.246 62.100 -0.857 0.000 0.986 229 T CB 1.680 70.303 68.868 -0.408 0.000 1.021 229 T HN 0.243 nan 8.240 nan 0.000 0.458 230 Y N 0.539 120.283 120.300 -0.927 0.000 2.540 230 Y HA 0.301 4.849 4.550 -0.003 0.000 0.257 230 Y C 1.333 176.369 175.900 -1.439 0.000 1.090 230 Y CA -0.569 56.876 58.100 -1.093 0.000 1.242 230 Y CB 0.793 38.868 38.460 -0.641 0.000 1.325 230 Y HN 0.740 nan 8.280 nan 0.000 0.544 231 T N -4.831 109.056 114.554 -1.112 0.000 2.816 231 T HA 0.372 4.720 4.350 -0.003 0.000 0.299 231 T C 0.455 175.048 174.700 -0.179 0.000 1.230 231 T CA -0.360 61.412 62.100 -0.548 0.000 1.007 231 T CB 2.069 70.838 68.868 -0.165 0.000 1.289 231 T HN -0.187 nan 8.240 nan 0.000 0.508 232 T N 0.562 115.242 114.554 0.210 0.000 2.818 232 T HA 0.250 4.598 4.350 -0.003 0.000 0.246 232 T C 2.285 177.049 174.700 0.107 0.000 1.036 232 T CA 1.076 63.324 62.100 0.247 0.000 1.160 232 T CB -0.679 68.357 68.868 0.281 0.000 0.869 232 T HN 0.795 nan 8.240 nan 0.000 0.419 233 A N 1.240 124.111 122.820 0.086 0.000 1.878 233 A HA 0.457 4.775 4.320 -0.003 0.000 0.213 233 A C 2.570 180.170 177.584 0.026 0.000 1.192 233 A CA 1.420 53.488 52.037 0.052 0.000 0.619 233 A CB -1.135 17.895 19.000 0.049 0.000 0.837 233 A HN 0.452 nan 8.150 nan 0.000 0.446 234 A N 0.210 123.039 122.820 0.015 0.000 1.908 234 A HA 0.087 4.405 4.320 -0.003 0.000 0.218 234 A C 2.485 180.068 177.584 -0.001 0.000 1.181 234 A CA 2.296 54.335 52.037 0.004 0.000 0.627 234 A CB -1.056 17.944 19.000 0.000 0.000 0.818 234 A HN 1.075 nan 8.150 nan 0.000 0.445 235 A N -0.276 122.533 122.820 -0.019 0.000 1.933 235 A HA -0.083 4.235 4.320 -0.003 0.000 0.218 235 A C 2.128 179.713 177.584 0.002 0.000 1.175 235 A CA 1.547 53.573 52.037 -0.019 0.000 0.628 235 A CB -0.574 18.387 19.000 -0.065 0.000 0.814 235 A HN 0.516 nan 8.150 nan 0.000 0.444 236 I N -0.769 119.806 120.570 0.009 0.000 2.252 236 I HA -0.233 3.935 4.170 -0.003 0.000 0.245 236 I C 2.560 178.686 176.117 0.015 0.000 1.102 236 I CA 1.723 63.033 61.300 0.017 0.000 1.385 236 I CB -0.209 37.805 38.000 0.024 0.000 1.064 236 I HN 0.345 nan 8.210 nan 0.000 0.414 237 K N 0.823 121.231 120.400 0.013 0.000 2.097 237 K HA -0.150 4.168 4.320 -0.003 0.000 0.205 237 K C 1.295 177.902 176.600 0.011 0.000 1.050 237 K CA 1.405 57.698 56.287 0.011 0.000 0.938 237 K CB 0.067 32.572 32.500 0.009 0.000 0.718 237 K HN 0.259 nan 8.250 nan 0.000 0.442 238 N N -0.796 117.911 118.700 0.012 0.000 2.280 238 N HA 0.072 4.810 4.740 -0.003 0.000 0.192 238 N C 0.377 175.900 175.510 0.021 0.000 1.109 238 N CA 0.900 53.958 53.050 0.012 0.000 0.855 238 N CB 1.391 39.883 38.487 0.008 0.000 0.974 238 N HN 0.431 nan 8.380 nan 0.000 0.482 239 G N 0.317 109.132 108.800 0.026 0.000 2.159 239 G HA2 -0.197 3.761 3.960 -0.003 0.000 0.170 239 G HA3 -0.197 3.761 3.960 -0.003 0.000 0.170 239 G C -0.445 174.485 174.900 0.050 0.000 1.007 239 G CA -0.468 44.655 45.100 0.038 0.000 0.672 239 G HN 0.251 nan 8.290 nan 0.000 0.507 240 L N 1.537 122.785 121.223 0.042 0.000 2.283 240 L HA 0.569 4.907 4.340 -0.003 0.000 0.287 240 L C 1.009 177.906 176.870 0.044 0.000 1.073 240 L CA -0.138 54.731 54.840 0.048 0.000 0.822 240 L CB 0.545 42.621 42.059 0.029 0.000 1.186 240 L HN 0.103 nan 8.230 nan 0.000 0.436 241 D N 4.514 124.951 120.400 0.061 0.000 2.123 241 D HA 0.037 4.675 4.640 -0.003 0.000 0.200 241 D C 0.385 176.712 176.300 0.047 0.000 0.976 241 D CA 1.435 55.466 54.000 0.052 0.000 0.831 241 D CB 0.556 41.391 40.800 0.058 0.000 0.974 241 D HN 0.477 nan 8.370 nan 0.000 0.469 242 I N 0.281 120.891 120.570 0.067 0.000 2.692 242 I HA 0.104 4.272 4.170 -0.003 0.000 0.293 242 I C -1.209 174.931 176.117 0.039 0.000 1.200 242 I CA -0.712 60.614 61.300 0.043 0.000 1.036 242 I CB 2.741 40.792 38.000 0.085 0.000 1.258 242 I HN -0.283 nan 8.210 nan 0.000 0.421 243 E N 6.629 126.787 120.200 -0.071 0.000 2.249 243 E HA 0.397 4.746 4.350 -0.003 0.000 0.280 243 E C -1.961 174.451 176.600 -0.314 0.000 1.016 243 E CA -0.333 56.002 56.400 -0.108 0.000 0.830 243 E CB 1.201 30.856 29.700 -0.075 0.000 1.081 243 E HN 0.469 nan 8.360 nan 0.000 0.395 244 F N 4.574 124.229 119.950 -0.491 0.000 2.588 244 F HA 0.465 4.990 4.527 -0.003 0.000 0.314 244 F C -2.051 173.113 175.800 -1.059 0.000 1.069 244 F CA -1.683 55.749 58.000 -0.946 0.000 0.931 244 F CB 2.390 40.359 39.000 -1.719 0.000 1.260 244 F HN 0.417 nan 8.300 nan 0.000 0.465 245 P HA 0.369 nan 4.420 nan 0.000 0.310 245 P C -0.767 176.065 177.300 -0.780 0.000 1.309 245 P CA -0.325 62.162 63.100 -1.022 0.000 0.769 245 P CB 1.162 32.218 31.700 -1.073 0.000 1.327 246 G N -0.627 107.751 108.800 -0.703 0.000 2.488 246 G HA2 0.559 4.517 3.960 -0.003 0.000 0.318 246 G HA3 0.559 4.517 3.960 -0.003 0.000 0.318 246 G C -2.533 172.062 174.900 -0.508 0.000 1.188 246 G CA -1.637 43.160 45.100 -0.505 0.000 0.944 246 G HN 0.362 nan 8.290 nan 0.000 0.495 247 P HA 0.160 nan 4.420 nan 0.000 0.275 247 P C 0.379 177.557 177.300 -0.204 0.000 1.228 247 P CA -0.110 62.850 63.100 -0.232 0.000 0.786 247 P CB 0.869 32.472 31.700 -0.162 0.000 0.927 248 T N 1.796 116.238 114.554 -0.187 0.000 2.923 248 T HA -0.042 4.306 4.350 -0.003 0.000 0.304 248 T C 1.464 176.088 174.700 -0.126 0.000 1.044 248 T CA 0.449 62.463 62.100 -0.143 0.000 1.141 248 T CB -0.048 68.751 68.868 -0.115 0.000 1.023 248 T HN 0.346 nan 8.240 nan 0.000 0.533 249 R N 2.517 122.950 120.500 -0.111 0.000 2.087 249 R HA 0.131 4.469 4.340 -0.003 0.000 0.216 249 R C 1.553 177.604 176.300 -0.415 0.000 1.114 249 R CA 0.954 56.873 56.100 -0.303 0.000 1.002 249 R CB 0.129 30.171 30.300 -0.430 0.000 0.903 249 R HN 0.707 nan 8.270 nan 0.000 0.445 250 W N 0.037 121.314 121.300 -0.038 0.000 3.107 250 W HA 0.231 4.890 4.660 -0.002 0.000 0.293 250 W C 0.626 177.127 176.519 -0.029 0.000 1.239 250 W CA -0.235 57.094 57.345 -0.026 0.000 1.653 250 W CB 0.653 30.097 29.460 -0.027 0.000 1.068 250 W HN -0.229 nan 8.180 nan 0.000 0.615 251 R N 0.489 121.054 120.500 0.109 0.000 2.776 251 R HA 0.131 4.469 4.340 -0.003 0.000 0.391 251 R C 0.407 176.709 176.300 0.002 0.000 1.116 251 R CA -0.049 56.088 56.100 0.062 0.000 1.056 251 R CB 0.053 30.380 30.300 0.045 0.000 1.369 251 R HN -0.117 nan 8.270 nan 0.000 0.590 252 T N -2.347 112.196 114.554 -0.019 0.000 2.856 252 T HA 0.039 4.387 4.350 -0.003 0.000 0.306 252 T C 1.319 176.008 174.700 -0.017 0.000 1.062 252 T CA -0.546 61.531 62.100 -0.039 0.000 1.083 252 T CB 1.852 70.684 68.868 -0.059 0.000 0.984 252 T HN 0.286 nan 8.240 nan 0.000 0.542 253 R N 0.973 121.459 120.500 -0.023 0.000 2.117 253 R HA -0.170 4.168 4.340 -0.003 0.000 0.243 253 R C 2.430 178.732 176.300 0.004 0.000 1.143 253 R CA 1.687 57.781 56.100 -0.010 0.000 0.968 253 R CB -0.996 29.294 30.300 -0.017 0.000 0.863 253 R HN 0.855 nan 8.270 nan 0.000 0.444 254 A N 0.768 123.584 122.820 -0.008 0.000 1.898 254 A HA -0.077 4.241 4.320 -0.003 0.000 0.216 254 A C 2.177 179.783 177.584 0.038 0.000 1.181 254 A CA 1.014 53.049 52.037 -0.003 0.000 0.620 254 A CB -0.373 18.601 19.000 -0.043 0.000 0.819 254 A HN 0.325 nan 8.150 nan 0.000 0.442 255 L N -0.626 120.615 121.223 0.030 0.000 2.005 255 L HA -0.137 4.201 4.340 -0.003 0.000 0.207 255 L C 2.547 179.477 176.870 0.100 0.000 1.072 255 L CA 1.151 56.034 54.840 0.072 0.000 0.744 255 L CB -0.641 41.452 42.059 0.056 0.000 0.895 255 L HN 0.237 nan 8.230 nan 0.000 0.433 256 V N -0.253 119.702 119.914 0.069 0.000 2.307 256 V HA -0.248 3.870 4.120 -0.003 0.000 0.245 256 V C 2.723 178.851 176.094 0.057 0.000 1.045 256 V CA 2.028 64.364 62.300 0.061 0.000 1.024 256 V CB -0.565 31.282 31.823 0.041 0.000 0.651 256 V HN 0.626 nan 8.190 nan 0.000 0.449 257 S N -0.465 115.269 115.700 0.056 0.000 2.406 257 S HA -0.254 4.214 4.470 -0.003 0.000 0.228 257 S C 1.982 176.631 174.600 0.082 0.000 1.020 257 S CA 1.570 59.801 58.200 0.051 0.000 0.965 257 S CB -0.626 62.596 63.200 0.038 0.000 0.798 257 S HN 0.735 nan 8.310 nan 0.000 0.488 258 H N 1.831 120.903 119.070 0.005 0.000 2.353 258 H HA 0.075 4.630 4.556 -0.003 0.000 0.300 258 H C 2.155 177.490 175.328 0.013 0.000 1.090 258 H CA 1.943 57.995 56.048 0.007 0.000 1.327 258 H CB -0.614 29.151 29.762 0.006 0.000 1.383 258 H HN 0.439 nan 8.280 nan 0.000 0.508 259 S N 0.195 115.910 115.700 0.026 0.000 2.359 259 S HA -0.164 4.304 4.470 -0.003 0.000 0.224 259 S C 2.346 176.914 174.600 -0.053 0.000 1.035 259 S CA 1.421 59.601 58.200 -0.034 0.000 1.018 259 S CB -0.420 62.797 63.200 0.029 0.000 0.876 259 S HN 0.353 nan 8.310 nan 0.000 0.448 260 L N 1.653 122.864 121.223 -0.020 0.000 1.989 260 L HA -0.164 4.174 4.340 -0.003 0.000 0.211 260 L C 2.107 178.952 176.870 -0.041 0.000 1.071 260 L CA 1.149 55.976 54.840 -0.021 0.000 0.749 260 L CB -0.658 41.399 42.059 -0.004 0.000 0.890 260 L HN 0.284 nan 8.230 nan 0.000 0.431 261 N N -0.808 117.861 118.700 -0.052 0.000 2.457 261 N HA -0.067 4.671 4.740 -0.003 0.000 0.180 261 N C 1.557 177.011 175.510 -0.094 0.000 1.050 261 N CA 0.798 53.816 53.050 -0.053 0.000 0.906 261 N CB 0.070 38.541 38.487 -0.026 0.000 0.968 261 N HN 0.173 nan 8.380 nan 0.000 0.445 262 S N 0.338 115.937 115.700 -0.169 0.000 2.605 262 S HA 0.187 4.655 4.470 -0.003 0.000 0.217 262 S C 0.278 174.814 174.600 -0.106 0.000 0.958 262 S CA -0.363 57.727 58.200 -0.183 0.000 0.919 262 S CB 0.319 63.308 63.200 -0.350 0.000 0.780 262 S HN 0.240 nan 8.310 nan 0.000 0.507 263 R N 1.270 121.725 120.500 -0.073 0.000 3.405 263 R HA -0.183 4.155 4.340 -0.003 0.000 0.258 263 R C -0.549 175.727 176.300 -0.041 0.000 1.030 263 R CA 0.452 56.525 56.100 -0.045 0.000 0.691 263 R CB -1.506 28.775 30.300 -0.033 0.000 1.093 263 R HN 0.307 nan 8.270 nan 0.000 0.448 264 E N 1.069 121.239 120.200 -0.050 0.000 1.993 264 E HA 0.110 4.459 4.350 -0.003 0.000 0.271 264 E C 0.444 177.039 176.600 -0.008 0.000 1.008 264 E CA -0.019 56.364 56.400 -0.028 0.000 0.814 264 E CB 0.392 30.073 29.700 -0.033 0.000 1.098 264 E HN 0.261 nan 8.360 nan 0.000 0.407 265 Q N 1.186 120.984 119.800 -0.003 0.000 2.858 265 Q HA -0.290 4.048 4.340 -0.003 0.000 0.191 265 Q C 0.325 176.327 176.000 0.003 0.000 2.796 265 Q CA 2.061 57.866 55.803 0.004 0.000 0.359 265 Q CB -1.753 26.992 28.738 0.013 0.000 0.330 265 Q HN 0.725 nan 8.270 nan 0.000 0.511 266 I N -0.515 120.058 120.570 0.004 0.000 2.707 266 I HA 0.712 4.880 4.170 -0.003 0.000 0.309 266 I C 0.335 176.452 176.117 0.000 0.000 1.001 266 I CA -0.347 60.957 61.300 0.005 0.000 1.129 266 I CB 1.891 39.899 38.000 0.013 0.000 1.308 266 I HN 0.113 nan 8.210 nan 0.000 0.466 267 T N -1.466 113.089 114.554 0.001 0.000 2.926 267 T HA 0.338 4.686 4.350 -0.003 0.000 0.289 267 T C 1.020 175.720 174.700 0.001 0.000 1.054 267 T CA 0.008 62.107 62.100 -0.002 0.000 1.015 267 T CB 1.470 70.336 68.868 -0.002 0.000 1.167 267 T HN 0.827 nan 8.240 nan 0.000 0.526 268 T N -1.918 112.635 114.554 -0.001 0.000 2.881 268 T HA -0.113 4.235 4.350 -0.003 0.000 0.270 268 T C 1.528 176.228 174.700 0.001 0.000 1.068 268 T CA 1.407 63.507 62.100 -0.000 0.000 1.131 268 T CB -0.583 68.283 68.868 -0.002 0.000 0.871 268 T HN 0.797 nan 8.240 nan 0.000 0.479 269 E N 1.289 121.489 120.200 0.000 0.000 2.085 269 E HA -0.219 4.129 4.350 -0.003 0.000 0.194 269 E C 1.629 178.230 176.600 0.003 0.000 0.994 269 E CA 1.513 57.913 56.400 0.001 0.000 0.801 269 E CB -0.173 29.527 29.700 0.000 0.000 0.743 269 E HN 0.503 nan 8.360 nan 0.000 0.453 270 D N 0.096 120.498 120.400 0.004 0.000 2.097 270 D HA -0.147 4.491 4.640 -0.003 0.000 0.195 270 D C 2.109 178.414 176.300 0.008 0.000 0.989 270 D CA 1.069 55.073 54.000 0.007 0.000 0.827 270 D CB -0.220 40.585 40.800 0.008 0.000 0.966 270 D HN 0.134 nan 8.370 nan 0.000 0.456 271 V N 1.721 121.639 119.914 0.007 0.000 2.295 271 V HA -0.220 3.898 4.120 -0.003 0.000 0.246 271 V C 1.995 178.092 176.094 0.006 0.000 1.049 271 V CA 1.719 64.024 62.300 0.008 0.000 1.024 271 V CB -0.417 31.410 31.823 0.007 0.000 0.648 271 V HN 0.039 nan 8.190 nan 0.000 0.447 272 D N 0.104 120.506 120.400 0.004 0.000 2.104 272 D HA -0.179 4.459 4.640 -0.003 0.000 0.194 272 D C 1.934 178.237 176.300 0.004 0.000 0.994 272 D CA 1.533 55.534 54.000 0.002 0.000 0.830 272 D CB -0.422 40.378 40.800 -0.000 0.000 0.959 272 D HN 0.413 nan 8.370 nan 0.000 0.452 273 D N 0.149 120.552 120.400 0.004 0.000 2.133 273 D HA -0.136 4.502 4.640 -0.003 0.000 0.195 273 D C 2.172 178.475 176.300 0.005 0.000 0.997 273 D CA 0.785 54.787 54.000 0.004 0.000 0.840 273 D CB -0.018 40.785 40.800 0.005 0.000 0.947 273 D HN 0.141 nan 8.370 nan 0.000 0.452 274 R N 0.409 120.915 120.500 0.010 0.000 2.075 274 R HA -0.006 4.332 4.340 -0.003 0.000 0.232 274 R C 2.477 178.786 176.300 0.015 0.000 1.126 274 R CA 0.332 56.440 56.100 0.014 0.000 0.963 274 R CB -1.087 29.223 30.300 0.016 0.000 0.858 274 R HN 0.189 nan 8.270 nan 0.000 0.435 275 V N 1.470 121.392 119.914 0.013 0.000 2.343 275 V HA -0.200 3.918 4.120 -0.003 0.000 0.247 275 V C 2.676 178.785 176.094 0.025 0.000 1.051 275 V CA 1.678 63.989 62.300 0.019 0.000 1.036 275 V CB -0.580 31.251 31.823 0.013 0.000 0.654 275 V HN 0.291 nan 8.190 nan 0.000 0.451 276 R N -0.256 120.253 120.500 0.016 0.000 2.103 276 R HA -0.224 4.114 4.340 -0.003 0.000 0.242 276 R C 2.383 178.691 176.300 0.013 0.000 1.142 276 R CA 1.752 57.860 56.100 0.015 0.000 0.960 276 R CB -0.103 30.199 30.300 0.003 0.000 0.858 276 R HN 0.493 nan 8.270 nan 0.000 0.439 277 Q N -0.281 119.518 119.800 -0.002 0.000 2.123 277 Q HA -0.061 4.277 4.340 -0.003 0.000 0.199 277 Q C 2.247 178.249 176.000 0.003 0.000 0.966 277 Q CA 1.090 56.878 55.803 -0.026 0.000 0.845 277 Q CB -0.185 28.526 28.738 -0.045 0.000 0.907 277 Q HN 0.245 nan 8.270 nan 0.000 0.439 278 V N 1.440 121.374 119.914 0.032 0.000 2.407 278 V HA -0.231 3.887 4.120 -0.003 0.000 0.248 278 V C 2.375 178.520 176.094 0.085 0.000 1.055 278 V CA 1.345 63.680 62.300 0.058 0.000 1.049 278 V CB -0.601 31.258 31.823 0.060 0.000 0.662 278 V HN 0.250 nan 8.190 nan 0.000 0.455 279 L N -0.922 120.364 121.223 0.105 0.000 2.141 279 L HA -0.084 4.254 4.340 -0.003 0.000 0.209 279 L C 1.546 178.544 176.870 0.214 0.000 1.094 279 L CA 1.045 56.008 54.840 0.206 0.000 0.763 279 L CB -0.411 41.761 42.059 0.187 0.000 0.908 279 L HN 0.274 nan 8.230 nan 0.000 0.437 283 K N 1.732 121.816 120.400 -0.527 0.000 2.044 283 K HA -0.225 4.093 4.320 -0.003 0.000 0.210 283 K C 2.110 178.584 176.600 -0.209 0.000 1.049 283 K CA 2.448 58.447 56.287 -0.480 0.000 0.927 283 K CB -0.173 32.373 32.500 0.078 0.000 0.713 283 K HN 0.238 nan 8.250 nan 0.000 0.443 284 F N 1.181 121.031 119.950 -0.166 0.000 2.091 284 F HA -0.262 4.263 4.527 -0.003 0.000 0.299 284 F C 1.901 177.632 175.800 -0.116 0.000 1.103 284 F CA 1.578 59.515 58.000 -0.104 0.000 1.228 284 F CB -0.273 38.690 39.000 -0.062 0.000 0.984 284 F HN -0.166 nan 8.300 nan 0.000 0.477 285 V N -0.520 119.421 119.914 0.045 0.000 2.295 285 V HA -0.303 3.815 4.120 -0.003 0.000 0.246 285 V C 2.323 178.314 176.094 -0.172 0.000 1.049 285 V CA 1.714 63.995 62.300 -0.032 0.000 1.024 285 V CB -0.758 31.076 31.823 0.018 0.000 0.648 285 V HN 0.295 nan 8.190 nan 0.000 0.447 286 V N 0.096 119.851 119.914 -0.266 0.000 2.323 286 V HA -0.204 3.915 4.120 -0.003 0.000 0.244 286 V C 2.155 178.146 176.094 -0.173 0.000 1.041 286 V CA 2.024 64.181 62.300 -0.239 0.000 1.025 286 V CB -0.686 30.899 31.823 -0.396 0.000 0.656 286 V HN 0.533 nan 8.190 nan 0.000 0.451 287 D N 0.257 120.535 120.400 -0.202 0.000 2.311 287 D HA -0.113 4.525 4.640 -0.003 0.000 0.212 287 D C 1.661 177.834 176.300 -0.212 0.000 0.972 287 D CA 0.887 54.785 54.000 -0.169 0.000 0.887 287 D CB -0.247 40.450 40.800 -0.171 0.000 0.915 287 D HN 0.412 nan 8.370 nan 0.000 0.497 288 N N -0.326 118.211 118.700 -0.271 0.000 2.205 288 N HA 0.119 4.857 4.740 -0.003 0.000 0.201 288 N C 1.689 177.115 175.510 -0.140 0.000 1.128 288 N CA -0.126 52.772 53.050 -0.254 0.000 0.867 288 N CB 0.794 39.036 38.487 -0.407 0.000 0.996 288 N HN 0.204 nan 8.380 nan 0.000 0.503 289 L N 1.135 122.292 121.223 -0.109 0.000 2.079 289 L HA -0.156 4.182 4.340 -0.003 0.000 0.210 289 L C 2.233 179.078 176.870 -0.043 0.000 1.081 289 L CA 1.289 56.093 54.840 -0.060 0.000 0.752 289 L CB -0.174 41.858 42.059 -0.044 0.000 0.896 289 L HN 0.173 nan 8.230 nan 0.000 0.433 290 E N 0.092 120.264 120.200 -0.047 0.000 2.051 290 E HA -0.281 4.068 4.350 -0.003 0.000 0.192 290 E C 2.156 178.736 176.600 -0.032 0.000 0.991 290 E CA 1.334 57.714 56.400 -0.033 0.000 0.799 290 E CB -0.010 29.670 29.700 -0.034 0.000 0.748 290 E HN 0.366 nan 8.360 nan 0.000 0.449 291 K N 0.175 120.547 120.400 -0.047 0.000 2.009 291 K HA -0.146 4.172 4.320 -0.003 0.000 0.210 291 K C 2.319 178.905 176.600 -0.025 0.000 1.049 291 K CA 2.104 58.368 56.287 -0.039 0.000 0.929 291 K CB -0.093 32.373 32.500 -0.057 0.000 0.714 291 K HN 0.180 nan 8.250 nan 0.000 0.440 292 T N -3.449 111.088 114.554 -0.028 0.000 3.014 292 T HA 0.104 4.452 4.350 -0.003 0.000 0.263 292 T C 1.355 176.054 174.700 -0.001 0.000 1.078 292 T CA 0.637 62.732 62.100 -0.008 0.000 1.135 292 T CB -0.138 68.727 68.868 -0.004 0.000 0.895 292 T HN 0.382 nan 8.240 nan 0.000 0.480 293 G N 1.658 110.454 108.800 -0.007 0.000 2.283 293 G HA2 -0.241 3.717 3.960 -0.003 0.000 0.280 293 G HA3 -0.241 3.717 3.960 -0.003 0.000 0.280 293 G C 0.033 174.938 174.900 0.008 0.000 1.029 293 G CA 0.269 45.369 45.100 0.000 0.000 0.840 293 G HN 0.705 nan 8.290 nan 0.000 0.505 294 I N -0.116 120.459 120.570 0.009 0.000 2.648 294 I HA 0.203 4.371 4.170 -0.003 0.000 0.284 294 I C 0.858 176.990 176.117 0.025 0.000 1.153 294 I CA 0.096 61.409 61.300 0.022 0.000 1.426 294 I CB 1.095 39.112 38.000 0.027 0.000 1.381 294 I HN -0.051 nan 8.210 nan 0.000 0.571 295 V N 6.895 126.829 119.914 0.034 0.000 2.347 295 V HA 0.130 4.248 4.120 -0.003 0.000 0.280 295 V C 0.317 176.441 176.094 0.050 0.000 1.021 295 V CA -0.778 61.543 62.300 0.035 0.000 0.847 295 V CB 1.296 33.137 31.823 0.030 0.000 0.990 295 V HN 0.712 nan 8.190 nan 0.000 0.444 296 E N 4.618 124.847 120.200 0.048 0.000 2.694 296 E HA -0.118 4.230 4.350 -0.003 0.000 0.250 296 E C 0.801 177.434 176.600 0.056 0.000 0.963 296 E CA 0.598 57.034 56.400 0.061 0.000 0.949 296 E CB -0.154 29.574 29.700 0.047 0.000 0.911 296 E HN 0.741 nan 8.360 nan 0.000 0.500 297 N N 1.939 120.689 118.700 0.083 0.000 2.708 297 N HA -0.186 4.553 4.740 -0.003 0.000 0.251 297 N C -0.101 175.440 175.510 0.052 0.000 1.123 297 N CA 0.839 53.917 53.050 0.047 0.000 0.739 297 N CB -0.752 37.720 38.487 -0.025 0.000 1.113 297 N HN 0.604 nan 8.380 nan 0.000 0.561 298 G N -0.189 108.651 108.800 0.067 0.000 2.651 298 G HA2 0.377 4.335 3.960 -0.003 0.000 0.260 298 G HA3 0.377 4.335 3.960 -0.003 0.000 0.260 298 G C -1.969 172.962 174.900 0.052 0.000 1.216 298 G CA -0.664 44.466 45.100 0.049 0.000 0.913 298 G HN 0.166 nan 8.290 nan 0.000 0.535 299 P HA 0.164 nan 4.420 nan 0.000 0.273 299 P C -0.682 176.641 177.300 0.038 0.000 1.250 299 P CA 0.002 63.124 63.100 0.037 0.000 0.793 299 P CB 1.034 32.751 31.700 0.028 0.000 1.011 300 E N -0.161 120.059 120.200 0.033 0.000 2.176 300 E HA 0.413 4.761 4.350 -0.003 0.000 0.267 300 E C -0.355 176.263 176.600 0.031 0.000 0.893 300 E CA -0.609 55.807 56.400 0.027 0.000 0.761 300 E CB 1.522 31.231 29.700 0.015 0.000 1.133 300 E HN 0.438 nan 8.360 nan 0.000 0.409 301 S N 0.391 116.113 115.700 0.037 0.000 2.634 301 S HA 0.371 4.839 4.470 -0.003 0.000 0.296 301 S C 0.454 175.098 174.600 0.074 0.000 1.104 301 S CA -0.693 57.534 58.200 0.045 0.000 0.920 301 S CB 1.604 64.824 63.200 0.034 0.000 1.111 301 S HN 0.462 nan 8.310 nan 0.000 0.493 302 T N -1.334 113.267 114.554 0.077 0.000 3.273 302 T HA 0.178 4.526 4.350 -0.003 0.000 0.254 302 T C 1.420 176.124 174.700 0.007 0.000 1.002 302 T CA 0.241 62.410 62.100 0.115 0.000 0.913 302 T CB -0.793 68.130 68.868 0.092 0.000 1.056 302 T HN 0.809 nan 8.240 nan 0.000 0.576 303 S N 1.159 116.872 115.700 0.023 0.000 2.474 303 S HA -0.076 4.392 4.470 -0.003 0.000 0.235 303 S C 1.607 176.195 174.600 -0.020 0.000 0.997 303 S CA 0.760 58.955 58.200 -0.008 0.000 0.949 303 S CB -0.658 62.547 63.200 0.009 0.000 0.766 303 S HN 0.527 nan 8.310 nan 0.000 0.517 304 N N 1.948 120.658 118.700 0.016 0.000 2.322 304 N HA 0.112 4.850 4.740 -0.003 0.000 0.194 304 N C 0.031 175.502 175.510 -0.066 0.000 1.126 304 N CA -0.117 52.952 53.050 0.030 0.000 0.845 304 N CB -0.446 38.111 38.487 0.117 0.000 0.976 304 N HN 0.316 nan 8.380 nan 0.000 0.475 305 N N 0.805 119.302 118.700 -0.339 0.000 2.971 305 N HA -0.017 4.721 4.740 -0.003 0.000 0.294 305 N C -0.749 174.597 175.510 -0.272 0.000 1.210 305 N CA 0.079 52.718 53.050 -0.684 0.000 1.157 305 N CB -0.449 37.370 38.487 -1.113 0.000 1.450 305 N HN 0.267 nan 8.380 nan 0.000 0.527 306 T N -1.914 112.564 114.554 -0.126 0.000 2.919 306 T HA 0.296 4.644 4.350 -0.003 0.000 0.282 306 T C 1.122 175.813 174.700 -0.014 0.000 1.020 306 T CA -0.792 61.274 62.100 -0.056 0.000 0.994 306 T CB 1.700 70.551 68.868 -0.029 0.000 1.180 306 T HN 0.207 nan 8.240 nan 0.000 0.566 307 K N 0.046 120.440 120.400 -0.010 0.000 2.097 307 K HA -0.121 4.197 4.320 -0.003 0.000 0.205 307 K C 2.038 178.646 176.600 0.013 0.000 1.050 307 K CA 1.438 57.726 56.287 0.003 0.000 0.938 307 K CB -0.189 32.306 32.500 -0.008 0.000 0.718 307 K HN 0.808 nan 8.250 nan 0.000 0.442 308 E N -0.109 120.096 120.200 0.009 0.000 2.077 308 E HA -0.158 4.190 4.350 -0.003 0.000 0.193 308 E C 1.453 178.065 176.600 0.020 0.000 0.989 308 E CA 1.705 58.113 56.400 0.013 0.000 0.800 308 E CB 0.048 29.755 29.700 0.012 0.000 0.746 308 E HN 0.283 nan 8.360 nan 0.000 0.452 309 T N -0.117 114.453 114.554 0.025 0.000 2.821 309 T HA -0.106 4.242 4.350 -0.003 0.000 0.267 309 T C 1.989 176.704 174.700 0.024 0.000 1.046 309 T CA 1.057 63.175 62.100 0.029 0.000 1.139 309 T CB -0.260 68.644 68.868 0.061 0.000 0.871 309 T HN 0.071 nan 8.240 nan 0.000 0.454 310 S N 0.894 116.632 115.700 0.062 0.000 2.365 310 S HA -0.186 4.282 4.470 -0.003 0.000 0.225 310 S C 1.791 176.425 174.600 0.056 0.000 1.039 310 S CA 1.484 59.745 58.200 0.102 0.000 1.033 310 S CB -0.481 62.788 63.200 0.115 0.000 0.887 310 S HN 0.428 nan 8.310 nan 0.000 0.447 311 D N 0.343 120.763 120.400 0.033 0.000 2.183 311 D HA 0.007 4.645 4.640 -0.003 0.000 0.203 311 D C 1.797 178.106 176.300 0.015 0.000 0.969 311 D CA 0.439 54.453 54.000 0.025 0.000 0.842 311 D CB -0.314 40.497 40.800 0.018 0.000 0.957 311 D HN 0.271 nan 8.370 nan 0.000 0.484 312 L N 0.467 121.692 121.223 0.003 0.000 2.072 312 L HA 0.007 4.345 4.340 -0.003 0.000 0.205 312 L C 2.140 178.985 176.870 -0.042 0.000 1.079 312 L CA 1.088 55.924 54.840 -0.006 0.000 0.752 312 L CB -0.347 41.713 42.059 0.002 0.000 0.906 312 L HN -0.015 nan 8.230 nan 0.000 0.436 313 L N -0.916 120.246 121.223 -0.101 0.000 2.131 313 L HA -0.193 4.145 4.340 -0.003 0.000 0.210 313 L C 2.710 179.551 176.870 -0.049 0.000 1.092 313 L CA 1.203 55.942 54.840 -0.168 0.000 0.759 313 L CB -0.511 41.398 42.059 -0.251 0.000 0.903 313 L HN 0.299 nan 8.230 nan 0.000 0.435 314 R N 0.753 121.254 120.500 0.001 0.000 2.075 314 R HA -0.190 4.148 4.340 -0.003 0.000 0.232 314 R C 2.375 178.698 176.300 0.039 0.000 1.126 314 R CA 1.497 57.619 56.100 0.036 0.000 0.963 314 R CB -0.043 30.287 30.300 0.049 0.000 0.858 314 R HN 0.189 nan 8.270 nan 0.000 0.435 315 K N 0.697 121.115 120.400 0.031 0.000 1.991 315 K HA -0.163 4.155 4.320 -0.003 0.000 0.212 315 K C 2.094 178.722 176.600 0.047 0.000 1.049 315 K CA 2.032 58.341 56.287 0.037 0.000 0.932 315 K CB -0.257 32.262 32.500 0.030 0.000 0.717 315 K HN 0.184 nan 8.250 nan 0.000 0.441 316 I N 1.291 121.889 120.570 0.046 0.000 2.145 316 I HA -0.347 3.821 4.170 -0.003 0.000 0.244 316 I C 2.583 178.748 176.117 0.080 0.000 1.075 316 I CA 1.576 62.918 61.300 0.070 0.000 1.332 316 I CB -0.513 37.541 38.000 0.090 0.000 1.033 316 I HN 0.344 nan 8.210 nan 0.000 0.410 317 A N 0.574 123.436 122.820 0.071 0.000 1.902 317 A HA -0.149 4.169 4.320 -0.003 0.000 0.217 317 A C 2.543 180.189 177.584 0.103 0.000 1.181 317 A CA 1.922 54.018 52.037 0.098 0.000 0.623 317 A CB -0.853 18.201 19.000 0.090 0.000 0.818 317 A HN 0.464 nan 8.150 nan 0.000 0.443 318 A N -0.033 122.834 122.820 0.078 0.000 1.902 318 A HA -0.153 4.165 4.320 -0.003 0.000 0.217 318 A C 1.661 179.281 177.584 0.061 0.000 1.181 318 A CA 1.847 53.924 52.037 0.067 0.000 0.623 318 A CB -0.564 18.469 19.000 0.055 0.000 0.818 318 A HN 0.425 nan 8.150 nan 0.000 0.443 319 D N -0.268 120.170 120.400 0.063 0.000 2.310 319 D HA -0.009 4.629 4.640 -0.003 0.000 0.212 319 D C 1.915 178.265 176.300 0.083 0.000 0.965 319 D CA 1.078 55.114 54.000 0.059 0.000 0.879 319 D CB -0.083 40.751 40.800 0.056 0.000 0.921 319 D HN 0.367 nan 8.370 nan 0.000 0.510 320 S N -0.085 115.687 115.700 0.119 0.000 2.461 320 S HA 0.080 4.548 4.470 -0.003 0.000 0.228 320 S C 1.096 175.902 174.600 0.343 0.000 1.005 320 S CA -0.102 58.204 58.200 0.176 0.000 0.942 320 S CB 0.380 63.677 63.200 0.162 0.000 0.776 320 S HN 0.234 nan 8.310 nan 0.000 0.514 321 I N 2.355 123.060 120.570 0.226 0.000 2.648 321 I HA 0.061 4.230 4.170 -0.003 0.000 0.284 321 I C -0.552 175.606 176.117 0.069 0.000 1.153 321 I CA -0.030 61.358 61.300 0.146 0.000 1.426 321 I CB 0.656 38.682 38.000 0.044 0.000 1.381 321 I HN -0.085 nan 8.210 nan 0.000 0.571 322 V N 7.230 127.129 119.914 -0.024 0.000 2.487 322 V HA 0.268 4.386 4.120 -0.003 0.000 0.298 322 V C -0.312 175.641 176.094 -0.236 0.000 1.028 322 V CA -0.743 61.495 62.300 -0.103 0.000 0.860 322 V CB 1.739 33.529 31.823 -0.055 0.000 0.991 322 V HN 0.391 nan 8.190 nan 0.000 0.427 323 L N 5.830 126.906 121.223 -0.246 0.000 2.265 323 L HA 0.468 4.806 4.340 -0.003 0.000 0.288 323 L C 0.412 177.103 176.870 -0.299 0.000 1.058 323 L CA 0.517 55.202 54.840 -0.260 0.000 0.809 323 L CB 0.727 42.637 42.059 -0.248 0.000 1.179 323 L HN 0.620 nan 8.230 nan 0.000 0.429 324 L N 3.523 124.526 121.223 -0.367 0.000 2.357 324 L HA 0.307 4.645 4.340 -0.003 0.000 0.211 324 L C 0.552 177.321 176.870 -0.168 0.000 1.075 324 L CA 0.241 54.779 54.840 -0.505 0.000 0.830 324 L CB -0.102 41.262 42.059 -1.158 0.000 0.996 324 L HN 0.553 nan 8.230 nan 0.000 0.467 325 K N 0.346 120.676 120.400 -0.117 0.000 2.527 325 K HA 0.366 4.684 4.320 -0.003 0.000 0.260 325 K C -1.215 175.376 176.600 -0.015 0.000 0.937 325 K CA -0.594 55.702 56.287 0.016 0.000 0.826 325 K CB 2.285 34.824 32.500 0.064 0.000 1.359 325 K HN -0.257 nan 8.250 nan 0.000 0.434 326 N N 2.280 120.991 118.700 0.018 0.000 2.824 326 N HA 0.087 4.825 4.740 -0.003 0.000 0.224 326 N C -1.768 173.750 175.510 0.013 0.000 1.418 326 N CA -0.332 52.723 53.050 0.009 0.000 0.743 326 N CB 0.638 39.144 38.487 0.032 0.000 1.395 326 N HN 0.397 nan 8.380 nan 0.000 0.548 327 K N 1.324 121.731 120.400 0.011 0.000 2.174 327 K HA 0.321 4.639 4.320 -0.003 0.000 0.275 327 K C 0.026 176.623 176.600 -0.005 0.000 1.015 327 K CA -0.610 55.684 56.287 0.012 0.000 0.933 327 K CB 0.573 33.085 32.500 0.019 0.000 1.025 327 K HN 0.368 nan 8.250 nan 0.000 0.463 328 N N 2.149 120.846 118.700 -0.004 0.000 2.740 328 N HA -0.200 4.538 4.740 -0.003 0.000 0.248 328 N C -1.086 174.409 175.510 -0.025 0.000 1.062 328 N CA 0.882 53.925 53.050 -0.012 0.000 0.704 328 N CB -1.829 36.651 38.487 -0.011 0.000 0.968 328 N HN 0.838 nan 8.380 nan 0.000 0.547 329 N N -0.988 117.694 118.700 -0.030 0.000 2.701 329 N HA -0.241 4.497 4.740 -0.003 0.000 0.252 329 N C 1.176 176.637 175.510 -0.081 0.000 1.002 329 N CA 1.032 54.047 53.050 -0.059 0.000 0.758 329 N CB -1.219 37.239 38.487 -0.049 0.000 0.937 329 N HN 0.619 nan 8.380 nan 0.000 0.538 330 I N -0.830 119.696 120.570 -0.072 0.000 2.208 330 I HA -0.213 3.955 4.170 -0.003 0.000 0.245 330 I C 1.106 177.142 176.117 -0.136 0.000 1.097 330 I CA 1.262 62.511 61.300 -0.085 0.000 1.363 330 I CB -0.025 37.933 38.000 -0.069 0.000 1.051 330 I HN 0.248 nan 8.210 nan 0.000 0.413 331 L N 1.132 122.256 121.223 -0.165 0.000 2.334 331 L HA 0.409 4.747 4.340 -0.003 0.000 0.272 331 L C -2.278 174.258 176.870 -0.556 0.000 1.020 331 L CA -2.021 52.653 54.840 -0.276 0.000 0.812 331 L CB 1.450 43.439 42.059 -0.118 0.000 1.264 331 L HN -0.198 nan 8.230 nan 0.000 0.439 332 P HA 0.112 nan 4.420 nan 0.000 0.274 332 P C -0.772 176.340 177.300 -0.313 0.000 1.237 332 P CA -0.625 62.148 63.100 -0.546 0.000 0.793 332 P CB 0.894 32.286 31.700 -0.514 0.000 0.977 333 L N 2.126 123.126 121.223 -0.373 0.000 2.473 333 L HA 0.170 4.508 4.340 -0.003 0.000 0.268 333 L C 1.157 177.979 176.870 -0.081 0.000 1.215 333 L CA 0.588 55.219 54.840 -0.348 0.000 0.823 333 L CB -0.641 40.959 42.059 -0.765 0.000 1.099 333 L HN 0.313 nan 8.230 nan 0.000 0.483 334 K N 2.096 122.537 120.400 0.069 0.000 2.156 334 K HA 0.257 4.575 4.320 -0.003 0.000 0.254 334 K C 0.873 177.649 176.600 0.293 0.000 0.950 334 K CA -0.695 55.694 56.287 0.170 0.000 0.849 334 K CB 1.505 34.052 32.500 0.078 0.000 1.100 334 K HN 0.394 nan 8.250 nan 0.000 0.434 335 K N 1.330 121.862 120.400 0.219 0.000 2.147 335 K HA -0.174 4.144 4.320 -0.003 0.000 0.205 335 K C 0.706 177.351 176.600 0.076 0.000 1.049 335 K CA 1.583 57.925 56.287 0.092 0.000 0.936 335 K CB 0.248 32.720 32.500 -0.047 0.000 0.722 335 K HN 0.484 nan 8.250 nan 0.000 0.446 336 E N 0.827 121.070 120.200 0.071 0.000 2.465 336 E HA 0.063 4.411 4.350 -0.003 0.000 0.191 336 E C -0.320 176.318 176.600 0.064 0.000 1.053 336 E CA -0.073 56.358 56.400 0.051 0.000 0.869 336 E CB -0.106 29.613 29.700 0.031 0.000 0.977 336 E HN 0.061 nan 8.360 nan 0.000 0.483 337 D N 1.708 122.162 120.400 0.090 0.000 2.455 337 D HA -0.015 4.623 4.640 -0.003 0.000 0.241 337 D C -0.188 176.165 176.300 0.090 0.000 1.138 337 D CA 0.070 54.116 54.000 0.078 0.000 0.877 337 D CB 0.364 41.211 40.800 0.078 0.000 1.187 337 D HN -0.002 nan 8.370 nan 0.000 0.451 338 N N 1.967 120.715 118.700 0.080 0.000 2.420 338 N HA 0.250 4.988 4.740 -0.003 0.000 0.262 338 N C -0.842 174.764 175.510 0.160 0.000 1.144 338 N CA -0.265 52.852 53.050 0.111 0.000 0.952 338 N CB 0.082 38.615 38.487 0.077 0.000 1.081 338 N HN 0.393 nan 8.380 nan 0.000 0.480 339 I N 0.865 121.545 120.570 0.183 0.000 2.647 339 I HA 0.585 4.753 4.170 -0.003 0.000 0.295 339 I C -0.984 175.149 176.117 0.027 0.000 1.078 339 I CA -1.147 60.225 61.300 0.120 0.000 1.048 339 I CB 1.821 39.877 38.000 0.093 0.000 1.239 339 I HN 0.395 nan 8.210 nan 0.000 0.421 340 I N 5.649 126.082 120.570 -0.228 0.000 2.562 340 I HA 0.626 4.794 4.170 -0.003 0.000 0.301 340 I C -0.999 175.058 176.117 -0.100 0.000 1.003 340 I CA -0.928 60.161 61.300 -0.351 0.000 1.127 340 I CB 1.920 39.411 38.000 -0.847 0.000 1.304 340 I HN 0.495 nan 8.210 nan 0.000 0.446 341 V N 7.784 127.723 119.914 0.042 0.000 2.483 341 V HA 0.544 4.662 4.120 -0.003 0.000 0.295 341 V C -0.043 176.095 176.094 0.073 0.000 1.035 341 V CA -0.429 61.954 62.300 0.138 0.000 0.896 341 V CB 1.570 33.606 31.823 0.355 0.000 0.986 341 V HN 0.507 nan 8.190 nan 0.000 0.447 342 I N 2.498 123.081 120.570 0.022 0.000 2.802 342 I HA 0.870 5.038 4.170 -0.003 0.000 0.298 342 I C 0.130 176.242 176.117 -0.009 0.000 1.176 342 I CA -0.526 60.721 61.300 -0.087 0.000 1.025 342 I CB 2.463 40.385 38.000 -0.130 0.000 1.243 342 I HN 0.886 nan 8.210 nan 0.000 0.424 343 G N 4.703 113.488 108.800 -0.026 0.000 2.453 343 G HA2 0.013 3.971 3.960 -0.003 0.000 0.665 343 G HA3 0.013 3.971 3.960 -0.003 0.000 0.665 343 G C -2.782 172.192 174.900 0.123 0.000 1.411 343 G CA -0.745 44.379 45.100 0.040 0.000 0.889 343 G HN 0.380 nan 8.290 nan 0.000 0.651 344 P HA -0.101 nan 4.420 nan 0.000 0.218 344 P C 1.009 178.442 177.300 0.221 0.000 1.148 344 P CA 1.222 64.447 63.100 0.208 0.000 0.822 344 P CB 0.183 32.005 31.700 0.202 0.000 0.784 345 N N -1.049 117.769 118.700 0.196 0.000 2.280 345 N HA 0.167 4.905 4.740 -0.003 0.000 0.192 345 N C 1.544 177.168 175.510 0.190 0.000 1.109 345 N CA 0.327 53.494 53.050 0.195 0.000 0.855 345 N CB -0.451 38.154 38.487 0.197 0.000 0.974 345 N HN 0.035 nan 8.380 nan 0.000 0.482 346 A N 0.932 123.879 122.820 0.212 0.000 1.858 346 A HA -0.074 4.244 4.320 -0.003 0.000 0.216 346 A C 1.788 179.495 177.584 0.206 0.000 1.190 346 A CA 1.325 53.508 52.037 0.243 0.000 0.617 346 A CB -0.065 19.143 19.000 0.347 0.000 0.827 346 A HN 0.146 nan 8.150 nan 0.000 0.443 347 K N -0.542 119.945 120.400 0.145 0.000 2.374 347 K HA 0.393 4.711 4.320 -0.003 0.000 0.196 347 K C 0.459 177.114 176.600 0.091 0.000 1.023 347 K CA 0.207 56.525 56.287 0.052 0.000 1.103 347 K CB 0.280 32.699 32.500 -0.135 0.000 0.848 347 K HN 0.451 nan 8.250 nan 0.000 0.528 348 A N 1.838 124.734 122.820 0.127 0.000 2.366 348 A HA 0.144 4.463 4.320 -0.003 0.000 0.249 348 A C -0.205 177.444 177.584 0.109 0.000 1.084 348 A CA 0.030 52.137 52.037 0.116 0.000 0.794 348 A CB 0.272 19.357 19.000 0.141 0.000 1.034 348 A HN 0.149 nan 8.150 nan 0.000 0.491 349 K N 1.781 122.230 120.400 0.083 0.000 2.533 349 K HA 0.199 4.517 4.320 -0.003 0.000 0.207 349 K C -0.324 176.303 176.600 0.044 0.000 1.052 349 K CA 0.007 56.339 56.287 0.075 0.000 1.030 349 K CB 0.630 33.168 32.500 0.064 0.000 1.522 349 K HN 0.737 nan 8.250 nan 0.000 0.543 350 T N -1.558 113.035 114.554 0.065 0.000 3.766 350 T HA 0.034 4.382 4.350 -0.003 0.000 0.327 350 T C 1.229 175.928 174.700 -0.003 0.000 1.595 350 T CA -0.554 61.541 62.100 -0.009 0.000 1.204 350 T CB 0.221 69.118 68.868 0.048 0.000 1.245 350 T HN 0.264 nan 8.240 nan 0.000 0.875 351 S N 1.527 117.208 115.700 -0.032 0.000 2.461 351 S HA 0.160 4.628 4.470 -0.003 0.000 0.228 351 S C 0.962 175.567 174.600 0.009 0.000 1.005 351 S CA 0.135 58.345 58.200 0.018 0.000 0.942 351 S CB -0.358 62.836 63.200 -0.011 0.000 0.776 351 S HN 1.042 nan 8.310 nan 0.000 0.514 352 S N -0.943 114.653 115.700 -0.174 0.000 2.625 352 S HA 0.734 5.202 4.470 -0.003 0.000 0.271 352 S C 0.003 174.235 174.600 -0.613 0.000 1.161 352 S CA -0.542 57.544 58.200 -0.191 0.000 0.820 352 S CB 0.790 63.944 63.200 -0.078 0.000 1.137 352 S HN 0.526 nan 8.310 nan 0.000 0.470 353 G N -0.358 107.948 108.800 -0.824 0.000 2.616 353 G HA2 0.554 4.512 3.960 -0.003 0.000 0.268 353 G HA3 0.554 4.512 3.960 -0.003 0.000 0.268 353 G C 0.440 174.890 174.900 -0.749 0.000 1.213 353 G CA -0.372 43.820 45.100 -1.513 0.000 0.926 353 G HN 1.117 nan 8.290 nan 0.000 0.523 354 G N -1.961 106.502 108.800 -0.562 0.000 2.507 354 G HA2 0.634 4.592 3.960 -0.003 0.000 0.271 354 G HA3 0.634 4.592 3.960 -0.003 0.000 0.271 354 G C 0.570 175.352 174.900 -0.198 0.000 1.189 354 G CA 0.718 45.628 45.100 -0.316 0.000 0.859 354 G HN 1.916 nan 8.290 nan 0.000 0.542 355 G N -0.067 108.622 108.800 -0.185 0.000 2.416 355 G HA2 0.076 4.034 3.960 -0.003 0.000 0.203 355 G HA3 0.076 4.034 3.960 -0.003 0.000 0.203 355 G C 1.361 176.388 174.900 0.211 0.000 1.227 355 G CA 0.679 45.683 45.100 -0.160 0.000 1.041 355 G HN 1.843 nan 8.290 nan 0.000 0.546 356 S N 0.066 115.921 115.700 0.259 0.000 2.474 356 S HA 0.317 4.785 4.470 -0.003 0.000 0.235 356 S C 2.349 177.021 174.600 0.121 0.000 0.997 356 S CA 1.658 60.036 58.200 0.298 0.000 0.949 356 S CB -0.084 63.241 63.200 0.209 0.000 0.766 356 S HN 2.115 nan 8.310 nan 0.000 0.517 357 A N 1.677 124.569 122.820 0.120 0.000 2.167 357 A HA 0.290 4.608 4.320 -0.003 0.000 0.214 357 A C 1.554 179.177 177.584 0.066 0.000 1.151 357 A CA 0.545 52.631 52.037 0.083 0.000 0.735 357 A CB -0.613 18.497 19.000 0.182 0.000 0.802 357 A HN 0.720 nan 8.150 nan 0.000 0.467 361 S N 2.389 118.012 115.700 -0.128 0.000 2.585 361 S HA 0.282 4.750 4.470 -0.003 0.000 0.277 361 S C 0.877 175.388 174.600 -0.148 0.000 1.241 361 S CA -0.395 57.661 58.200 -0.241 0.000 1.041 361 S CB 0.482 63.551 63.200 -0.219 0.000 0.987 361 S HN 0.454 nan 8.310 nan 0.000 0.512 362 Y N 1.239 121.445 120.300 -0.158 0.000 2.102 362 Y HA -0.114 4.435 4.550 -0.003 0.000 0.280 362 Y C 0.823 176.748 175.900 0.041 0.000 1.178 362 Y CA 0.955 59.012 58.100 -0.072 0.000 1.146 362 Y CB -0.787 37.610 38.460 -0.104 0.000 0.968 362 Y HN 0.783 nan 8.280 nan 0.000 0.504 363 Y N -5.787 114.606 120.300 0.156 0.000 2.702 363 Y HA 0.603 5.151 4.550 -0.003 0.000 0.336 363 Y C -1.802 174.133 175.900 0.059 0.000 1.203 363 Y CA -2.537 55.617 58.100 0.091 0.000 1.072 363 Y CB 0.797 39.311 38.460 0.089 0.000 1.327 363 Y HN -0.390 nan 8.280 nan 0.000 0.456 364 V N 2.258 122.293 119.914 0.202 0.000 2.483 364 V HA 0.441 4.559 4.120 -0.003 0.000 0.297 364 V C -0.673 175.565 176.094 0.240 0.000 1.027 364 V CA -0.967 61.423 62.300 0.150 0.000 0.855 364 V CB 1.621 33.479 31.823 0.058 0.000 0.995 364 V HN 0.725 nan 8.190 nan 0.000 0.424 365 V N 4.853 124.931 119.914 0.274 0.000 2.415 365 V HA 0.193 4.311 4.120 -0.003 0.000 0.267 365 V C 1.009 177.189 176.094 0.144 0.000 1.042 365 V CA 0.082 62.496 62.300 0.190 0.000 1.000 365 V CB 1.218 33.144 31.823 0.171 0.000 1.015 365 V HN 1.056 nan 8.190 nan 0.000 0.478 366 S N 6.760 122.540 115.700 0.133 0.000 2.573 366 S HA 0.196 4.664 4.470 -0.003 0.000 0.277 366 S C -1.406 173.278 174.600 0.140 0.000 1.346 366 S CA -0.677 57.606 58.200 0.138 0.000 1.034 366 S CB 1.065 64.351 63.200 0.144 0.000 0.879 366 S HN 0.502 nan 8.310 nan 0.000 0.528 367 P HA -0.134 nan 4.420 nan 0.000 0.214 367 P C 1.268 178.653 177.300 0.142 0.000 1.163 367 P CA 1.370 64.555 63.100 0.142 0.000 0.889 367 P CB -0.266 31.526 31.700 0.154 0.000 0.790 368 Y N 1.353 121.691 120.300 0.062 0.000 2.102 368 Y HA -0.289 4.259 4.550 -0.003 0.000 0.280 368 Y C 2.140 178.052 175.900 0.020 0.000 1.178 368 Y CA 1.933 60.054 58.100 0.035 0.000 1.146 368 Y CB -0.860 37.582 38.460 -0.029 0.000 0.968 368 Y HN 0.011 nan 8.280 nan 0.000 0.504 369 E N -0.656 119.560 120.200 0.027 0.000 2.160 369 E HA -0.180 4.168 4.350 -0.003 0.000 0.195 369 E C 2.380 178.923 176.600 -0.096 0.000 0.991 369 E CA 0.890 57.253 56.400 -0.062 0.000 0.810 369 E CB -0.514 29.214 29.700 0.046 0.000 0.742 369 E HN 0.685 nan 8.360 nan 0.000 0.466 370 G N 0.939 109.721 108.800 -0.030 0.000 2.408 370 G HA2 -0.203 3.755 3.960 -0.003 0.000 0.217 370 G HA3 -0.203 3.755 3.960 -0.003 0.000 0.217 370 G C 1.565 176.434 174.900 -0.052 0.000 1.150 370 G CA 0.375 45.468 45.100 -0.012 0.000 0.776 370 G HN 0.117 nan 8.290 nan 0.000 0.542 371 I N 0.377 120.902 120.570 -0.075 0.000 2.252 371 I HA -0.126 4.042 4.170 -0.003 0.000 0.245 371 I C 2.736 178.736 176.117 -0.196 0.000 1.102 371 I CA 0.367 61.620 61.300 -0.077 0.000 1.385 371 I CB -0.240 37.753 38.000 -0.011 0.000 1.064 371 I HN -0.004 nan 8.210 nan 0.000 0.414 372 V N 1.475 121.195 119.914 -0.324 0.000 2.392 372 V HA -0.289 3.829 4.120 -0.003 0.000 0.249 372 V C 2.120 178.106 176.094 -0.180 0.000 1.059 372 V CA 1.954 64.077 62.300 -0.294 0.000 1.051 372 V CB -0.858 30.732 31.823 -0.388 0.000 0.658 372 V HN 0.469 nan 8.190 nan 0.000 0.455 373 N N 0.229 118.840 118.700 -0.148 0.000 2.244 373 N HA -0.151 4.587 4.740 -0.003 0.000 0.183 373 N C 1.817 177.255 175.510 -0.120 0.000 1.016 373 N CA 1.277 54.262 53.050 -0.108 0.000 0.866 373 N CB -0.297 38.144 38.487 -0.077 0.000 0.980 373 N HN 0.451 nan 8.380 nan 0.000 0.430 374 K N 0.775 121.081 120.400 -0.157 0.000 2.186 374 K HA 0.182 4.500 4.320 -0.003 0.000 0.202 374 K C 1.494 177.933 176.600 -0.269 0.000 1.052 374 K CA 0.668 56.826 56.287 -0.214 0.000 0.965 374 K CB 0.050 32.374 32.500 -0.293 0.000 0.746 374 K HN 0.096 nan 8.250 nan 0.000 0.457 375 L N -0.833 120.240 121.223 -0.251 0.000 2.585 375 L HA 0.255 4.593 4.340 -0.003 0.000 0.226 375 L C 1.239 178.034 176.870 -0.126 0.000 1.113 375 L CA 0.442 55.155 54.840 -0.210 0.000 0.876 375 L CB -0.161 41.786 42.059 -0.185 0.000 1.072 375 L HN 0.527 nan 8.230 nan 0.000 0.468 376 G N 1.579 110.312 108.800 -0.112 0.000 2.216 376 G HA2 -0.349 3.609 3.960 -0.003 0.000 0.269 376 G HA3 -0.349 3.609 3.960 -0.003 0.000 0.269 376 G C 0.384 175.250 174.900 -0.057 0.000 0.981 376 G CA 1.354 46.408 45.100 -0.077 0.000 0.658 376 G HN 0.535 nan 8.290 nan 0.000 0.539 377 K N -0.170 120.195 120.400 -0.058 0.000 2.313 377 K HA 0.732 5.050 4.320 -0.003 0.000 0.235 377 K C -0.460 176.122 176.600 -0.030 0.000 1.035 377 K CA -1.133 55.136 56.287 -0.030 0.000 0.868 377 K CB 1.476 33.969 32.500 -0.010 0.000 1.232 377 K HN 0.094 nan 8.250 nan 0.000 0.459 378 E N 0.663 120.869 120.200 0.010 0.000 2.373 378 E HA 0.172 4.520 4.350 -0.003 0.000 0.267 378 E C -0.733 175.913 176.600 0.076 0.000 1.032 378 E CA -0.476 55.954 56.400 0.050 0.000 0.889 378 E CB 1.098 30.854 29.700 0.092 0.000 0.984 378 E HN 0.254 nan 8.360 nan 0.000 0.425 379 V N 2.990 122.975 119.914 0.118 0.000 2.547 379 V HA 0.132 4.250 4.120 -0.003 0.000 0.299 379 V C -0.237 176.044 176.094 0.311 0.000 1.040 379 V CA -0.978 61.419 62.300 0.162 0.000 0.913 379 V CB 1.784 33.629 31.823 0.036 0.000 0.992 379 V HN 0.634 nan 8.190 nan 0.000 0.449 380 D N 2.653 123.191 120.400 0.230 0.000 2.455 380 D HA 0.259 4.897 4.640 -0.003 0.000 0.241 380 D C -0.690 175.757 176.300 0.245 0.000 1.138 380 D CA 0.780 54.906 54.000 0.210 0.000 0.877 380 D CB 0.443 41.352 40.800 0.181 0.000 1.187 380 D HN 0.569 nan 8.370 nan 0.000 0.451 381 Y N 0.251 120.578 120.300 0.045 0.000 2.544 381 Y HA 0.469 5.016 4.550 -0.003 0.000 0.342 381 Y C -1.198 174.668 175.900 -0.057 0.000 1.062 381 Y CA -0.563 57.523 58.100 -0.024 0.000 1.023 381 Y CB 2.167 40.539 38.460 -0.147 0.000 1.308 381 Y HN 0.280 nan 8.280 nan 0.000 0.457 382 T N 4.163 118.150 114.554 -0.946 0.000 2.923 382 T HA 0.238 4.586 4.350 -0.003 0.000 0.311 382 T C -0.232 173.791 174.700 -1.129 0.000 1.183 382 T CA -0.130 61.408 62.100 -0.937 0.000 1.020 382 T CB 1.623 70.266 68.868 -0.375 0.000 1.165 382 T HN 0.761 nan 8.240 nan 0.000 0.482 383 V N 4.005 123.469 119.914 -0.749 0.000 2.427 383 V HA 0.193 4.311 4.120 -0.003 0.000 0.248 383 V C 2.117 178.071 176.094 -0.234 0.000 1.051 383 V CA 3.240 65.331 62.300 -0.348 0.000 1.048 383 V CB -0.989 30.796 31.823 -0.063 0.000 0.666 383 V HN 1.415 nan 8.190 nan 0.000 0.456 384 G N -0.303 108.345 108.800 -0.253 0.000 2.990 384 G HA2 -0.138 3.820 3.960 -0.003 0.000 0.225 384 G HA3 -0.138 3.820 3.960 -0.003 0.000 0.225 384 G C 0.395 175.193 174.900 -0.169 0.000 1.304 384 G CA 0.278 45.266 45.100 -0.186 0.000 0.816 384 G HN 1.985 nan 8.290 nan 0.000 0.528 385 A N -1.621 121.112 122.820 -0.145 0.000 2.599 385 A HA 0.657 4.975 4.320 -0.003 0.000 0.294 385 A C -1.204 176.380 177.584 -0.000 0.000 1.055 385 A CA -0.466 51.496 52.037 -0.125 0.000 0.683 385 A CB 0.664 19.637 19.000 -0.044 0.000 1.278 385 A HN 1.061 nan 8.150 nan 0.000 0.412 386 Y N 1.082 121.402 120.300 0.034 0.000 2.310 386 Y HA 0.518 5.066 4.550 -0.003 0.000 0.326 386 Y C 1.458 177.347 175.900 -0.020 0.000 1.151 386 Y CA -0.288 57.843 58.100 0.052 0.000 1.195 386 Y CB 1.822 40.321 38.460 0.065 0.000 1.210 386 Y HN 0.866 nan 8.280 nan 0.000 0.483 387 S N -0.675 115.143 115.700 0.198 0.000 3.053 387 S HA 0.137 4.605 4.470 -0.003 0.000 0.255 387 S C -0.589 174.194 174.600 0.303 0.000 0.976 387 S CA -0.691 57.616 58.200 0.178 0.000 1.159 387 S CB -1.230 62.091 63.200 0.202 0.000 1.110 387 S HN 0.746 nan 8.310 nan 0.000 0.633 388 H N 0.619 119.866 119.070 0.294 0.000 2.790 388 H HA 0.512 5.066 4.556 -0.003 0.000 0.358 388 H C 1.105 176.505 175.328 0.120 0.000 1.103 388 H CA -0.231 55.915 56.048 0.163 0.000 1.426 388 H CB 0.812 30.570 29.762 -0.007 0.000 1.424 388 H HN 0.111 nan 8.280 nan 0.000 0.599 389 K N 1.323 121.613 120.400 -0.185 0.000 2.098 389 K HA -0.012 4.307 4.320 -0.003 0.000 0.203 389 K C 0.010 176.524 176.600 -0.143 0.000 1.051 389 K CA 0.961 56.894 56.287 -0.589 0.000 0.957 389 K CB 0.255 31.907 32.500 -1.413 0.000 0.738 389 K HN 0.773 nan 8.250 nan 0.000 0.447 390 S N -0.544 115.131 115.700 -0.042 0.000 2.599 390 S HA 0.450 4.918 4.470 -0.003 0.000 0.287 390 S C -0.411 174.175 174.600 -0.024 0.000 1.105 390 S CA -1.036 57.175 58.200 0.017 0.000 0.899 390 S CB 1.495 64.697 63.200 0.003 0.000 1.100 390 S HN 0.120 nan 8.310 nan 0.000 0.482 391 I N 2.880 123.392 120.570 -0.098 0.000 2.322 391 I HA 0.456 4.624 4.170 -0.003 0.000 0.292 391 I C 1.085 177.106 176.117 -0.160 0.000 1.060 391 I CA 0.076 61.221 61.300 -0.260 0.000 1.309 391 I CB 0.520 38.373 38.000 -0.245 0.000 1.415 391 I HN 0.961 nan 8.210 nan 0.000 0.492 392 G N 3.068 111.770 108.800 -0.163 0.000 3.134 392 G HA2 0.543 4.501 3.960 -0.003 0.000 0.158 392 G HA3 0.543 4.501 3.960 -0.003 0.000 0.158 392 G C 0.833 175.671 174.900 -0.103 0.000 1.334 392 G CA -0.100 44.948 45.100 -0.087 0.000 1.001 392 G HN 0.828 nan 8.290 nan 0.000 0.600 393 G N -1.222 107.542 108.800 -0.061 0.000 2.205 393 G HA2 -0.218 3.740 3.960 -0.003 0.000 0.261 393 G HA3 -0.218 3.740 3.960 -0.003 0.000 0.261 393 G C 1.257 176.135 174.900 -0.037 0.000 0.980 393 G CA 1.084 46.154 45.100 -0.050 0.000 0.632 393 G HN 1.069 nan 8.290 nan 0.000 0.533 394 L N 1.161 122.357 121.223 -0.046 0.000 1.988 394 L HA 0.517 4.855 4.340 -0.003 0.000 0.207 394 L C 3.046 179.933 176.870 0.027 0.000 1.071 394 L CA 3.129 57.937 54.840 -0.053 0.000 0.744 394 L CB -0.932 41.133 42.059 0.009 0.000 0.893 394 L HN 0.676 nan 8.230 nan 0.000 0.433 395 A N -0.860 121.986 122.820 0.044 0.000 1.978 395 A HA -0.215 4.103 4.320 -0.003 0.000 0.220 395 A C 2.022 179.654 177.584 0.079 0.000 1.170 395 A CA 1.810 53.889 52.037 0.069 0.000 0.636 395 A CB -0.650 18.388 19.000 0.063 0.000 0.810 395 A HN 0.583 nan 8.150 nan 0.000 0.448 396 E N 0.040 120.279 120.200 0.066 0.000 2.418 396 E HA -0.032 4.316 4.350 -0.003 0.000 0.197 396 E C 1.253 177.911 176.600 0.098 0.000 1.026 396 E CA 1.000 57.443 56.400 0.071 0.000 0.862 396 E CB 0.006 29.738 29.700 0.053 0.000 0.799 396 E HN 0.673 nan 8.360 nan 0.000 0.518 397 S N -1.466 114.316 115.700 0.136 0.000 2.835 397 S HA 0.431 4.899 4.470 -0.003 0.000 0.248 397 S C -0.042 174.733 174.600 0.292 0.000 1.070 397 S CA -0.696 57.625 58.200 0.202 0.000 1.090 397 S CB 0.455 63.811 63.200 0.260 0.000 0.978 397 S HN -0.103 nan 8.310 nan 0.000 0.510 398 S N 0.955 116.786 115.700 0.219 0.000 2.568 398 S HA 0.786 5.254 4.470 -0.003 0.000 0.293 398 S C -0.829 173.862 174.600 0.151 0.000 1.089 398 S CA -0.734 57.609 58.200 0.238 0.000 0.945 398 S CB 1.342 64.677 63.200 0.225 0.000 1.077 398 S HN 0.512 nan 8.310 nan 0.000 0.485 399 L N 2.117 123.423 121.223 0.138 0.000 2.323 399 L HA 0.562 4.900 4.340 -0.003 0.000 0.265 399 L C 0.344 177.269 176.870 0.092 0.000 1.012 399 L CA -0.787 54.111 54.840 0.096 0.000 0.820 399 L CB 1.081 43.183 42.059 0.072 0.000 1.334 399 L HN 0.586 nan 8.230 nan 0.000 0.427 400 I N -0.076 120.537 120.570 0.073 0.000 2.235 400 I HA -0.069 4.099 4.170 -0.003 0.000 0.241 400 I C 0.613 176.764 176.117 0.057 0.000 1.085 400 I CA 1.401 62.740 61.300 0.066 0.000 1.378 400 I CB 0.075 38.109 38.000 0.057 0.000 1.076 400 I HN 0.530 nan 8.210 nan 0.000 0.415 401 D N 0.014 120.443 120.400 0.047 0.000 2.440 401 D HA 0.416 5.054 4.640 -0.003 0.000 0.252 401 D C 0.736 177.057 176.300 0.034 0.000 1.180 401 D CA -0.238 53.784 54.000 0.037 0.000 0.894 401 D CB 1.470 42.287 40.800 0.029 0.000 1.111 401 D HN 0.137 nan 8.370 nan 0.000 0.544 402 A N 3.196 126.037 122.820 0.035 0.000 2.125 402 A HA 0.042 4.360 4.320 -0.003 0.000 0.219 402 A C 2.024 179.616 177.584 0.014 0.000 1.156 402 A CA 1.539 53.592 52.037 0.027 0.000 0.671 402 A CB -0.235 18.780 19.000 0.025 0.000 0.794 402 A HN 0.588 nan 8.150 nan 0.000 0.459 403 A N -0.237 122.590 122.820 0.012 0.000 1.972 403 A HA -0.032 4.286 4.320 -0.003 0.000 0.219 403 A C 1.371 178.961 177.584 0.010 0.000 1.169 403 A CA 0.828 52.869 52.037 0.007 0.000 0.635 403 A CB -0.153 18.850 19.000 0.006 0.000 0.810 403 A HN 0.401 nan 8.150 nan 0.000 0.446 404 K N 0.270 120.680 120.400 0.016 0.000 2.138 404 K HA 0.307 4.625 4.320 -0.003 0.000 0.251 404 K C -2.338 174.273 176.600 0.018 0.000 1.015 404 K CA -1.664 54.633 56.287 0.017 0.000 0.917 404 K CB 0.060 32.572 32.500 0.021 0.000 1.021 404 K HN 0.206 nan 8.250 nan 0.000 0.485 405 P HA 0.112 nan 4.420 nan 0.000 0.307 405 P C -0.840 176.475 177.300 0.024 0.000 1.306 405 P CA -0.423 62.688 63.100 0.018 0.000 0.742 405 P CB 0.344 32.054 31.700 0.016 0.000 1.349 406 A N 0.484 123.319 122.820 0.025 0.000 3.126 406 A HA 0.250 4.568 4.320 -0.003 0.000 0.268 406 A C 0.388 177.990 177.584 0.031 0.000 1.605 406 A CA -0.479 51.577 52.037 0.031 0.000 1.305 406 A CB -1.438 17.581 19.000 0.031 0.000 1.160 406 A HN 0.508 nan 8.150 nan 0.000 0.609 407 D N 0.092 120.511 120.400 0.030 0.000 2.539 407 D HA 0.448 5.086 4.640 -0.003 0.000 0.276 407 D C 1.149 177.469 176.300 0.033 0.000 1.206 407 D CA -0.011 54.006 54.000 0.029 0.000 1.081 407 D CB 0.816 41.631 40.800 0.024 0.000 1.142 407 D HN 0.076 nan 8.370 nan 0.000 0.595 408 A N -0.815 122.024 122.820 0.030 0.000 2.014 408 A HA -0.138 4.180 4.320 -0.003 0.000 0.218 408 A C 1.876 179.481 177.584 0.035 0.000 1.163 408 A CA 1.467 53.523 52.037 0.033 0.000 0.652 408 A CB -0.589 18.429 19.000 0.029 0.000 0.808 408 A HN 0.529 nan 8.150 nan 0.000 0.449 409 E N -0.681 119.538 120.200 0.033 0.000 2.400 409 E HA 0.034 4.382 4.350 -0.003 0.000 0.195 409 E C 1.333 177.956 176.600 0.038 0.000 1.012 409 E CA 0.721 57.141 56.400 0.033 0.000 0.875 409 E CB -0.041 29.676 29.700 0.028 0.000 0.859 409 E HN 0.541 nan 8.360 nan 0.000 0.498 410 N N -1.191 117.533 118.700 0.040 0.000 2.184 410 N HA 0.134 4.872 4.740 -0.003 0.000 0.206 410 N C -0.852 174.690 175.510 0.054 0.000 1.151 410 N CA 0.027 53.104 53.050 0.045 0.000 0.878 410 N CB 0.695 39.205 38.487 0.039 0.000 1.014 410 N HN -0.183 nan 8.380 nan 0.000 0.512 411 S N 0.335 116.068 115.700 0.055 0.000 2.411 411 S HA 0.657 5.125 4.470 -0.003 0.000 0.304 411 S C 0.326 174.968 174.600 0.070 0.000 1.098 411 S CA 0.072 58.311 58.200 0.064 0.000 1.068 411 S CB 0.547 63.783 63.200 0.060 0.000 1.032 411 S HN 0.532 nan 8.310 nan 0.000 0.511 412 G N 2.379 111.228 108.800 0.082 0.000 2.356 412 G HA2 0.268 4.226 3.960 -0.003 0.000 0.266 412 G HA3 0.268 4.226 3.960 -0.003 0.000 0.266 412 G C -2.005 172.951 174.900 0.094 0.000 1.312 412 G CA -0.912 44.239 45.100 0.086 0.000 0.922 412 G HN 0.552 nan 8.290 nan 0.000 0.480 413 L N -0.336 120.945 121.223 0.096 0.000 2.303 413 L HA 0.709 5.047 4.340 -0.003 0.000 0.256 413 L C -0.631 176.299 176.870 0.100 0.000 1.034 413 L CA -1.234 53.663 54.840 0.095 0.000 0.832 413 L CB 2.168 44.283 42.059 0.092 0.000 1.403 413 L HN 0.396 nan 8.230 nan 0.000 0.419 414 I N 1.341 121.965 120.570 0.090 0.000 2.378 414 I HA 0.485 4.653 4.170 -0.003 0.000 0.291 414 I C -0.059 176.114 176.117 0.093 0.000 0.992 414 I CA -0.408 60.949 61.300 0.094 0.000 1.154 414 I CB 1.652 39.695 38.000 0.072 0.000 1.315 414 I HN 0.584 nan 8.210 nan 0.000 0.448 415 A N 7.498 130.398 122.820 0.133 0.000 2.256 415 A HA 0.579 4.897 4.320 -0.003 0.000 0.317 415 A C -0.221 177.400 177.584 0.061 0.000 1.318 415 A CA -0.689 51.393 52.037 0.075 0.000 0.894 415 A CB 0.444 19.537 19.000 0.156 0.000 1.165 415 A HN 0.668 nan 8.150 nan 0.000 0.525 416 K N 2.452 122.820 120.400 -0.054 0.000 2.307 416 K HA 0.451 4.769 4.320 -0.003 0.000 0.263 416 K C -1.565 174.863 176.600 -0.287 0.000 0.973 416 K CA -0.029 56.202 56.287 -0.093 0.000 0.846 416 K CB 1.529 34.037 32.500 0.012 0.000 1.100 416 K HN 0.607 nan 8.250 nan 0.000 0.438 417 F N 3.027 122.661 119.950 -0.526 0.000 2.411 417 F HA 0.295 4.820 4.527 -0.004 0.000 0.355 417 F C -0.091 175.042 175.800 -1.111 0.000 1.117 417 F CA -0.552 57.001 58.000 -0.745 0.000 1.139 417 F CB 0.534 38.872 39.000 -1.103 0.000 1.120 417 F HN 0.399 nan 8.300 nan 0.000 0.493 418 Y N 0.465 120.668 120.300 -0.162 0.000 2.509 418 Y HA 0.249 4.797 4.550 -0.003 0.000 0.341 418 Y C 1.091 177.331 175.900 0.566 0.000 1.038 418 Y CA -0.817 57.356 58.100 0.121 0.000 1.089 418 Y CB 1.831 40.364 38.460 0.121 0.000 1.241 418 Y HN 0.461 nan 8.280 nan 0.000 0.468 419 S N 0.489 116.666 115.700 0.793 0.000 2.489 419 S HA -0.001 4.467 4.470 -0.003 0.000 0.228 419 S C -0.143 174.844 174.600 0.644 0.000 0.995 419 S CA 0.463 59.095 58.200 0.720 0.000 0.934 419 S CB -0.383 63.113 63.200 0.493 0.000 0.771 419 S HN 0.654 nan 8.310 nan 0.000 0.522 420 N N 0.764 119.728 118.700 0.440 0.000 2.229 420 N HA 0.374 5.112 4.740 -0.003 0.000 0.298 420 N C -3.108 172.115 175.510 -0.478 0.000 1.114 420 N CA -1.684 51.384 53.050 0.031 0.000 0.776 420 N CB 2.300 40.807 38.487 0.033 0.000 1.501 420 N HN -0.057 nan 8.380 nan 0.000 0.474 421 P HA -0.032 nan 4.420 nan 0.000 0.272 421 P C 0.786 177.767 177.300 -0.532 0.000 1.230 421 P CA -0.198 62.214 63.100 -1.148 0.000 0.788 421 P CB 1.069 32.055 31.700 -1.191 0.000 0.949 422 V N 1.459 121.128 119.914 -0.409 0.000 2.688 422 V HA -0.234 3.885 4.120 -0.003 0.000 0.256 422 V C 1.936 177.888 176.094 -0.237 0.000 1.084 422 V CA 2.106 64.213 62.300 -0.322 0.000 1.103 422 V CB -1.087 30.575 31.823 -0.269 0.000 0.688 422 V HN 0.488 nan 8.190 nan 0.000 0.480 423 E N 0.068 120.135 120.200 -0.223 0.000 2.158 423 E HA -0.015 4.333 4.350 -0.003 0.000 0.191 423 E C 1.267 177.788 176.600 -0.131 0.000 0.982 423 E CA 0.716 57.027 56.400 -0.149 0.000 0.823 423 E CB 0.160 29.790 29.700 -0.116 0.000 0.766 423 E HN 0.638 nan 8.360 nan 0.000 0.468 424 E N 0.514 120.618 120.200 -0.160 0.000 3.386 424 E HA 0.173 4.522 4.350 -0.003 0.000 0.236 424 E C -1.134 175.398 176.600 -0.113 0.000 1.227 424 E CA -0.366 55.967 56.400 -0.112 0.000 0.970 424 E CB 0.352 30.003 29.700 -0.080 0.000 1.343 424 E HN 0.032 nan 8.360 nan 0.000 0.397 425 R N 0.058 120.492 120.500 -0.111 0.000 2.626 425 R HA 0.440 4.778 4.340 -0.003 0.000 0.274 425 R C -0.768 175.499 176.300 -0.055 0.000 1.031 425 R CA -0.784 55.270 56.100 -0.076 0.000 0.898 425 R CB 1.339 31.577 30.300 -0.102 0.000 1.222 425 R HN 0.203 nan 8.270 nan 0.000 0.455 426 S N 0.907 116.598 115.700 -0.016 0.000 2.579 426 S HA 0.034 4.502 4.470 -0.003 0.000 0.275 426 S C 0.118 174.717 174.600 -0.001 0.000 1.345 426 S CA 0.038 58.234 58.200 -0.005 0.000 1.031 426 S CB 1.020 64.228 63.200 0.013 0.000 0.892 426 S HN 0.678 nan 8.310 nan 0.000 0.529 427 D N 1.473 121.870 120.400 -0.004 0.000 2.263 427 D HA -0.029 4.609 4.640 -0.003 0.000 0.208 427 D C 0.900 177.221 176.300 0.034 0.000 0.971 427 D CA 1.214 55.216 54.000 0.003 0.000 0.867 427 D CB -0.172 40.627 40.800 -0.003 0.000 0.929 427 D HN 0.639 nan 8.370 nan 0.000 0.492 428 D N 0.375 120.800 120.400 0.041 0.000 2.224 428 D HA -0.082 4.556 4.640 -0.003 0.000 0.205 428 D C 0.622 176.974 176.300 0.088 0.000 0.965 428 D CA 0.440 54.474 54.000 0.056 0.000 0.852 428 D CB -0.242 40.587 40.800 0.048 0.000 0.947 428 D HN 0.320 nan 8.370 nan 0.000 0.494 429 E N 1.760 122.023 120.200 0.105 0.000 2.406 429 E HA -0.047 4.301 4.350 -0.003 0.000 0.258 429 E C -0.303 176.439 176.600 0.237 0.000 1.043 429 E CA -0.033 56.468 56.400 0.168 0.000 0.929 429 E CB 0.342 30.150 29.700 0.180 0.000 0.969 429 E HN -0.049 nan 8.360 nan 0.000 0.462 430 E N 5.495 125.809 120.200 0.190 0.000 2.313 430 E HA 0.221 4.569 4.350 -0.003 0.000 0.272 430 E C -2.098 174.516 176.600 0.024 0.000 1.038 430 E CA -2.288 54.194 56.400 0.136 0.000 0.863 430 E CB 0.756 30.513 29.700 0.094 0.000 1.060 430 E HN 0.520 nan 8.360 nan 0.000 0.402 431 P HA -0.011 nan 4.420 nan 0.000 0.267 431 P C 0.446 177.596 177.300 -0.250 0.000 1.205 431 P CA 0.039 62.713 63.100 -0.709 0.000 0.765 431 P CB 0.091 31.343 31.700 -0.747 0.000 0.828 432 F N 0.584 120.460 119.950 -0.124 0.000 2.748 432 F HA 0.222 4.746 4.527 -0.004 0.000 0.299 432 F C 0.543 176.346 175.800 0.004 0.000 1.154 432 F CA 0.132 58.105 58.000 -0.046 0.000 1.446 432 F CB -0.683 38.253 39.000 -0.106 0.000 1.112 432 F HN 0.308 nan 8.300 nan 0.000 0.584 433 H N -0.591 118.305 119.070 -0.291 0.000 3.085 433 H HA 0.655 5.209 4.556 -0.003 0.000 0.356 433 H C -1.804 173.526 175.328 0.003 0.000 1.178 433 H CA -1.276 54.718 56.048 -0.089 0.000 1.214 433 H CB 2.075 31.724 29.762 -0.188 0.000 1.881 433 H HN -0.126 nan 8.280 nan 0.000 0.538 434 V N 3.653 123.372 119.914 -0.326 0.000 2.760 434 V HA 0.663 4.781 4.120 -0.003 0.000 0.309 434 V C -0.667 175.344 176.094 -0.139 0.000 1.077 434 V CA -0.612 61.623 62.300 -0.110 0.000 0.910 434 V CB 1.990 33.769 31.823 -0.073 0.000 1.008 434 V HN 0.932 nan 8.190 nan 0.000 0.424 435 T N 3.449 118.075 114.554 0.120 0.000 2.993 435 T HA 0.355 4.703 4.350 -0.003 0.000 0.312 435 T C -0.892 173.928 174.700 0.201 0.000 1.115 435 T CA -0.746 61.466 62.100 0.185 0.000 1.027 435 T CB 2.049 71.185 68.868 0.447 0.000 1.116 435 T HN 0.467 nan 8.240 nan 0.000 0.464 436 K N 2.976 123.446 120.400 0.116 0.000 2.316 436 K HA 0.401 4.719 4.320 -0.003 0.000 0.289 436 K C -0.721 175.940 176.600 0.101 0.000 1.070 436 K CA -0.293 56.054 56.287 0.100 0.000 0.928 436 K CB 0.516 33.053 32.500 0.061 0.000 1.039 436 K HN 0.451 nan 8.250 nan 0.000 0.480 437 V N 5.848 125.849 119.914 0.146 0.000 2.364 437 V HA 0.157 4.275 4.120 -0.003 0.000 0.272 437 V C 1.005 177.159 176.094 0.099 0.000 1.036 437 V CA -0.547 61.847 62.300 0.157 0.000 0.880 437 V CB 1.097 33.062 31.823 0.237 0.000 0.991 437 V HN 0.671 nan 8.190 nan 0.000 0.460 438 N N 3.889 122.630 118.700 0.068 0.000 2.368 438 N HA 0.120 4.858 4.740 -0.003 0.000 0.178 438 N C 0.519 176.065 175.510 0.061 0.000 1.076 438 N CA 0.170 53.257 53.050 0.061 0.000 0.889 438 N CB 0.669 39.184 38.487 0.046 0.000 1.040 438 N HN 0.550 nan 8.380 nan 0.000 0.463 439 R N 0.238 120.777 120.500 0.064 0.000 2.460 439 R HA 0.382 4.721 4.340 -0.003 0.000 0.303 439 R C 0.722 177.054 176.300 0.052 0.000 0.968 439 R CA -0.310 55.825 56.100 0.059 0.000 0.889 439 R CB 1.500 31.839 30.300 0.064 0.000 1.123 439 R HN -0.099 nan 8.270 nan 0.000 0.455 440 S N 1.219 116.937 115.700 0.031 0.000 2.399 440 S HA -0.119 4.349 4.470 -0.003 0.000 0.231 440 S C 0.940 175.517 174.600 -0.039 0.000 1.022 440 S CA 0.961 59.163 58.200 0.002 0.000 0.983 440 S CB -0.164 63.039 63.200 0.005 0.000 0.803 440 S HN 0.517 nan 8.310 nan 0.000 0.480 441 N N 2.465 121.177 118.700 0.021 0.000 2.415 441 N HA 0.108 4.846 4.740 -0.003 0.000 0.250 441 N C -1.230 174.306 175.510 0.044 0.000 1.127 441 N CA 0.110 53.198 53.050 0.063 0.000 0.945 441 N CB 0.529 39.097 38.487 0.137 0.000 1.196 441 N HN -0.068 nan 8.380 nan 0.000 0.499 442 V N 4.509 124.310 119.914 -0.189 0.000 2.372 442 V HA 0.046 4.164 4.120 -0.003 0.000 0.261 442 V C -0.010 176.046 176.094 -0.063 0.000 1.055 442 V CA -0.524 61.637 62.300 -0.231 0.000 0.930 442 V CB -0.099 31.175 31.823 -0.916 0.000 1.031 442 V HN 0.566 nan 8.190 nan 0.000 0.479 443 H N 5.175 124.284 119.070 0.064 0.000 2.673 443 H HA 0.480 5.034 4.556 -0.003 0.000 0.293 443 H C 0.270 175.698 175.328 0.166 0.000 1.065 443 H CA -0.487 55.586 56.048 0.041 0.000 1.236 443 H CB 1.023 30.755 29.762 -0.051 0.000 1.389 443 H HN 0.573 nan 8.280 nan 0.000 0.481 444 L N 5.197 126.358 121.223 -0.103 0.000 2.628 444 L HA 0.050 4.388 4.340 -0.003 0.000 0.229 444 L C 1.658 178.580 176.870 0.086 0.000 1.137 444 L CA -0.133 54.769 54.840 0.103 0.000 0.909 444 L CB -0.397 41.731 42.059 0.116 0.000 1.137 444 L HN 0.523 nan 8.230 nan 0.000 0.470 445 F N 3.044 122.787 119.950 -0.346 0.000 2.050 445 F HA -0.378 4.147 4.527 -0.003 0.000 0.294 445 F C 1.910 177.574 175.800 -0.227 0.000 1.113 445 F CA 2.499 60.315 58.000 -0.305 0.000 1.225 445 F CB -0.118 38.627 39.000 -0.425 0.000 0.953 445 F HN 0.447 nan 8.300 nan 0.000 0.501 446 D N -1.028 119.170 120.400 -0.336 0.000 2.424 446 D HA -0.002 4.636 4.640 -0.003 0.000 0.220 446 D C 0.429 176.747 176.300 0.030 0.000 1.150 446 D CA -0.544 53.057 54.000 -0.665 0.000 0.831 446 D CB -1.637 38.983 40.800 -0.301 0.000 0.981 446 D HN 0.244 nan 8.370 nan 0.000 0.500 447 F N 2.312 122.307 119.950 0.075 0.000 2.629 447 F HA 0.120 4.645 4.527 -0.004 0.000 0.377 447 F C 0.395 176.269 175.800 0.123 0.000 1.101 447 F CA 0.360 58.449 58.000 0.150 0.000 1.301 447 F CB 0.534 39.639 39.000 0.174 0.000 1.062 447 F HN -0.166 nan 8.300 nan 0.000 0.583 448 K N 5.271 125.246 120.400 -0.708 0.000 2.565 448 K HA 0.368 4.686 4.320 -0.003 0.000 0.249 448 K C -2.105 174.100 176.600 -0.658 0.000 0.958 448 K CA -0.783 55.244 56.287 -0.433 0.000 0.806 448 K CB 1.027 33.465 32.500 -0.103 0.000 1.194 448 K HN 0.929 nan 8.250 nan 0.000 0.434 449 H N 1.375 120.114 119.070 -0.551 0.000 3.085 449 H HA 0.061 4.615 4.556 -0.003 0.000 0.356 449 H C 0.261 175.416 175.328 -0.289 0.000 1.178 449 H CA -0.418 55.357 56.048 -0.455 0.000 1.214 449 H CB 1.665 31.139 29.762 -0.480 0.000 1.881 449 H HN 0.736 nan 8.280 nan 0.000 0.538 450 E N 2.350 122.319 120.200 -0.385 0.000 2.209 450 E HA -0.150 4.198 4.350 -0.003 0.000 0.196 450 E C 0.656 177.205 176.600 -0.085 0.000 0.993 450 E CA 1.290 57.577 56.400 -0.189 0.000 0.819 450 E CB 0.101 29.677 29.700 -0.207 0.000 0.745 450 E HN 0.328 nan 8.360 nan 0.000 0.477 451 K N 0.699 121.082 120.400 -0.029 0.000 2.522 451 K HA 0.137 4.455 4.320 -0.003 0.000 0.194 451 K C -0.565 175.861 176.600 -0.290 0.000 1.026 451 K CA 0.086 56.177 56.287 -0.327 0.000 1.119 451 K CB 0.632 32.576 32.500 -0.926 0.000 0.856 451 K HN 0.069 nan 8.250 nan 0.000 0.513 452 V N 2.020 121.875 119.914 -0.098 0.000 2.349 452 V HA 0.054 4.172 4.120 -0.003 0.000 0.284 452 V C -0.460 175.695 176.094 0.102 0.000 1.014 452 V CA -1.262 61.093 62.300 0.091 0.000 0.826 452 V CB 1.579 33.527 31.823 0.208 0.000 1.009 452 V HN 0.060 nan 8.190 nan 0.000 0.431 453 D N 7.699 128.172 120.400 0.122 0.000 2.346 453 D HA 0.197 4.835 4.640 -0.003 0.000 0.260 453 D C -1.414 174.948 176.300 0.104 0.000 1.252 453 D CA -1.893 52.156 54.000 0.081 0.000 0.895 453 D CB 1.978 42.816 40.800 0.064 0.000 1.097 453 D HN 0.203 nan 8.370 nan 0.000 0.489 454 P HA -0.142 nan 4.420 nan 0.000 0.219 454 P C 0.650 177.986 177.300 0.061 0.000 1.146 454 P CA 1.335 64.482 63.100 0.078 0.000 0.808 454 P CB 0.184 31.877 31.700 -0.012 0.000 0.779 455 K N -1.910 118.504 120.400 0.025 0.000 2.400 455 K HA 0.058 4.376 4.320 -0.003 0.000 0.194 455 K C 0.577 177.188 176.600 0.019 0.000 1.033 455 K CA 0.466 56.757 56.287 0.006 0.000 1.021 455 K CB -0.141 32.342 32.500 -0.029 0.000 0.808 455 K HN 0.059 nan 8.250 nan 0.000 0.505 456 N N 0.769 119.500 118.700 0.051 0.000 2.679 456 N HA 0.108 4.846 4.740 -0.003 0.000 0.240 456 N C -3.014 172.576 175.510 0.133 0.000 1.537 456 N CA -1.504 51.584 53.050 0.064 0.000 0.793 456 N CB 0.790 39.293 38.487 0.026 0.000 1.391 456 N HN -0.203 nan 8.380 nan 0.000 0.524 457 P HA 0.092 nan 4.420 nan 0.000 0.256 457 P C -1.214 176.179 177.300 0.155 0.000 1.688 457 P CA 0.168 63.413 63.100 0.242 0.000 1.162 457 P CB -0.856 31.002 31.700 0.264 0.000 1.870 458 Y N 5.808 126.155 120.300 0.078 0.000 2.328 458 Y HA 0.573 5.122 4.550 -0.002 0.000 0.337 458 Y C -0.117 175.851 175.900 0.113 0.000 1.008 458 Y CA -0.249 57.806 58.100 -0.076 0.000 1.129 458 Y CB 0.578 39.036 38.460 -0.004 0.000 1.185 458 Y HN 0.317 nan 8.280 nan 0.000 0.476 459 F N 2.810 122.486 119.950 -0.457 0.000 3.132 459 F HA 0.616 5.141 4.527 -0.004 0.000 0.331 459 F C -2.570 172.741 175.800 -0.816 0.000 1.108 459 F CA -2.176 55.690 58.000 -0.224 0.000 0.858 459 F CB 0.618 39.819 39.000 0.334 0.000 1.420 459 F HN 0.193 nan 8.300 nan 0.000 0.454 460 F N 0.408 120.599 119.950 0.401 0.000 2.611 460 F HA 0.868 5.393 4.527 -0.004 0.000 0.324 460 F C -0.643 175.270 175.800 0.188 0.000 1.061 460 F CA -1.430 56.647 58.000 0.128 0.000 0.954 460 F CB 2.321 41.318 39.000 -0.004 0.000 1.301 460 F HN 0.423 nan 8.300 nan 0.000 0.482 461 V N 0.471 120.500 119.914 0.191 0.000 2.733 461 V HA 0.464 4.582 4.120 -0.003 0.000 0.306 461 V C -0.916 175.153 176.094 -0.043 0.000 1.084 461 V CA -0.741 61.491 62.300 -0.112 0.000 0.905 461 V CB 2.141 33.738 31.823 -0.377 0.000 1.010 461 V HN 0.788 nan 8.190 nan 0.000 0.424 462 T N 5.685 120.235 114.554 -0.006 0.000 2.772 462 T HA 0.565 4.913 4.350 -0.003 0.000 0.288 462 T C -0.705 173.980 174.700 -0.025 0.000 0.994 462 T CA -0.187 61.907 62.100 -0.010 0.000 0.951 462 T CB 1.032 69.922 68.868 0.037 0.000 0.933 462 T HN 0.410 nan 8.240 nan 0.000 0.447 463 L N 5.323 126.514 121.223 -0.053 0.000 2.287 463 L HA 0.682 5.020 4.340 -0.003 0.000 0.287 463 L C 0.093 176.951 176.870 -0.020 0.000 1.022 463 L CA 0.028 54.865 54.840 -0.006 0.000 0.814 463 L CB 0.914 43.010 42.059 0.061 0.000 1.217 463 L HN 0.741 nan 8.230 nan 0.000 0.420 464 T N 1.625 116.190 114.554 0.017 0.000 2.893 464 T HA 1.005 5.353 4.350 -0.003 0.000 0.291 464 T C -0.178 174.553 174.700 0.051 0.000 1.028 464 T CA -0.307 61.807 62.100 0.023 0.000 0.995 464 T CB 1.883 70.767 68.868 0.027 0.000 1.051 464 T HN 0.972 nan 8.240 nan 0.000 0.470 465 G N 0.461 109.300 108.800 0.065 0.000 2.342 465 G HA2 0.525 4.483 3.960 -0.003 0.000 0.297 465 G HA3 0.525 4.483 3.960 -0.003 0.000 0.297 465 G C -2.263 172.713 174.900 0.127 0.000 1.313 465 G CA -0.895 44.261 45.100 0.094 0.000 0.830 465 G HN 0.810 nan 8.290 nan 0.000 0.506 466 Q N -0.746 119.144 119.800 0.149 0.000 2.353 466 Q HA 0.583 4.921 4.340 -0.003 0.000 0.268 466 Q C -1.905 174.252 176.000 0.262 0.000 1.045 466 Q CA -0.810 55.101 55.803 0.180 0.000 0.811 466 Q CB 2.864 31.669 28.738 0.111 0.000 1.305 466 Q HN 0.578 nan 8.270 nan 0.000 0.447 467 Y N 1.946 122.350 120.300 0.173 0.000 2.376 467 Y HA 0.581 5.129 4.550 -0.003 0.000 0.340 467 Y C -1.523 174.494 175.900 0.195 0.000 0.965 467 Y CA -0.830 57.376 58.100 0.175 0.000 1.078 467 Y CB 1.249 39.838 38.460 0.216 0.000 1.193 467 Y HN 0.375 nan 8.280 nan 0.000 0.452 468 V N 8.917 128.515 119.914 -0.526 0.000 2.349 468 V HA 0.382 4.500 4.120 -0.003 0.000 0.284 468 V C -2.190 173.504 176.094 -0.667 0.000 1.014 468 V CA -1.945 60.121 62.300 -0.388 0.000 0.826 468 V CB 1.119 32.849 31.823 -0.155 0.000 1.009 468 V HN 0.727 nan 8.190 nan 0.000 0.431 469 P HA 0.089 nan 4.420 nan 0.000 0.271 469 P C 0.184 177.385 177.300 -0.166 0.000 1.233 469 P CA -0.010 62.793 63.100 -0.494 0.000 0.795 469 P CB 0.500 31.945 31.700 -0.424 0.000 0.936 470 Q N -0.113 119.698 119.800 0.017 0.000 2.194 470 Q HA 0.252 4.590 4.340 -0.003 0.000 0.214 470 Q C 0.079 176.165 176.000 0.144 0.000 0.838 470 Q CA 0.381 56.234 55.803 0.083 0.000 0.972 470 Q CB 1.306 30.111 28.738 0.111 0.000 1.131 470 Q HN 0.584 nan 8.270 nan 0.000 0.498 471 E N 0.584 120.913 120.200 0.215 0.000 2.396 471 E HA 0.202 4.550 4.350 -0.003 0.000 0.280 471 E C -1.607 175.145 176.600 0.254 0.000 1.065 471 E CA -0.454 56.074 56.400 0.214 0.000 0.831 471 E CB 1.437 31.258 29.700 0.202 0.000 1.272 471 E HN -0.090 nan 8.360 nan 0.000 0.443 472 D N 0.239 120.745 120.400 0.178 0.000 2.329 472 D HA 0.622 5.260 4.640 -0.003 0.000 0.246 472 D C 0.510 176.927 176.300 0.195 0.000 1.111 472 D CA 1.130 55.235 54.000 0.175 0.000 0.941 472 D CB 1.228 42.096 40.800 0.114 0.000 1.169 472 D HN 0.781 nan 8.370 nan 0.000 0.441 473 G N 0.321 109.234 108.800 0.188 0.000 2.466 473 G HA2 -0.083 3.875 3.960 -0.003 0.000 0.316 473 G HA3 -0.083 3.875 3.960 -0.003 0.000 0.316 473 G C -1.380 173.640 174.900 0.201 0.000 1.270 473 G CA -0.939 44.248 45.100 0.145 0.000 0.982 473 G HN 0.469 nan 8.290 nan 0.000 0.506 474 D N 0.269 120.712 120.400 0.071 0.000 2.351 474 D HA 0.560 5.198 4.640 -0.003 0.000 0.251 474 D C -0.527 175.714 176.300 -0.098 0.000 1.137 474 D CA 0.841 54.874 54.000 0.054 0.000 0.879 474 D CB 0.694 41.496 40.800 0.003 0.000 1.181 474 D HN 0.337 nan 8.370 nan 0.000 0.448 475 Y N 0.844 121.123 120.300 -0.035 0.000 2.391 475 Y HA 0.416 4.964 4.550 -0.003 0.000 0.341 475 Y C 0.169 175.945 175.900 -0.207 0.000 0.965 475 Y CA -0.803 57.201 58.100 -0.160 0.000 1.067 475 Y CB 1.375 39.688 38.460 -0.246 0.000 1.199 475 Y HN 0.167 nan 8.280 nan 0.000 0.450 476 I N 4.834 125.301 120.570 -0.172 0.000 2.307 476 I HA 0.265 4.434 4.170 -0.003 0.000 0.289 476 I C -0.766 175.171 176.117 -0.300 0.000 1.021 476 I CA -0.296 60.920 61.300 -0.139 0.000 1.224 476 I CB 0.365 38.311 38.000 -0.089 0.000 1.376 476 I HN 0.400 nan 8.210 nan 0.000 0.470 477 F N 4.085 123.936 119.950 -0.164 0.000 2.370 477 F HA 0.490 5.015 4.527 -0.003 0.000 0.324 477 F C 0.854 176.517 175.800 -0.229 0.000 1.116 477 F CA -0.104 57.736 58.000 -0.267 0.000 1.123 477 F CB 1.573 40.242 39.000 -0.552 0.000 1.238 477 F HN 0.449 nan 8.300 nan 0.000 0.536 478 S N 1.907 117.626 115.700 0.033 0.000 2.588 478 S HA 0.843 5.311 4.470 -0.003 0.000 0.275 478 S C -1.729 172.952 174.600 0.135 0.000 1.130 478 S CA -0.779 57.437 58.200 0.026 0.000 0.855 478 S CB 2.079 65.271 63.200 -0.013 0.000 1.116 478 S HN 0.629 nan 8.310 nan 0.000 0.472 479 L N 0.903 122.172 121.223 0.076 0.000 2.493 479 L HA 0.592 4.930 4.340 -0.003 0.000 0.265 479 L C -1.516 175.322 176.870 -0.053 0.000 0.954 479 L CA -0.049 54.841 54.840 0.083 0.000 0.844 479 L CB 2.080 44.235 42.059 0.160 0.000 1.302 479 L HN 0.966 nan 8.230 nan 0.000 0.405 480 Q N 3.488 123.172 119.800 -0.195 0.000 2.347 480 Q HA 0.834 5.172 4.340 -0.003 0.000 0.271 480 Q C -1.373 174.318 176.000 -0.516 0.000 1.064 480 Q CA -0.868 54.695 55.803 -0.400 0.000 0.800 480 Q CB 3.271 31.566 28.738 -0.737 0.000 1.304 480 Q HN 0.600 nan 8.270 nan 0.000 0.438 481 V N -0.677 119.109 119.914 -0.212 0.000 3.078 481 V HA 0.597 4.716 4.120 -0.003 0.000 0.311 481 V C -1.924 174.426 176.094 0.426 0.000 1.138 481 V CA -0.690 61.679 62.300 0.115 0.000 1.007 481 V CB 2.173 34.114 31.823 0.196 0.000 1.045 481 V HN 0.912 nan 8.190 nan 0.000 0.432 482 Y N 3.730 124.287 120.300 0.429 0.000 2.447 482 Y HA 0.692 5.240 4.550 -0.004 0.000 0.325 482 Y C 0.428 176.451 175.900 0.204 0.000 0.976 482 Y CA 0.141 58.415 58.100 0.291 0.000 1.280 482 Y CB 0.864 39.486 38.460 0.270 0.000 1.104 482 Y HN 1.504 nan 8.280 nan 0.000 0.486 483 G N 2.777 111.738 108.800 0.268 0.000 2.130 483 G HA2 0.000 3.958 3.960 -0.003 0.000 0.151 483 G HA3 0.000 3.958 3.960 -0.003 0.000 0.151 483 G C -1.247 173.569 174.900 -0.139 0.000 1.173 483 G CA -0.158 44.871 45.100 -0.117 0.000 1.278 483 G HN 0.731 nan 8.290 nan 0.000 0.479 484 S N -0.844 114.653 115.700 -0.339 0.000 2.550 484 S HA 0.846 5.314 4.470 -0.003 0.000 0.270 484 S C -0.339 174.118 174.600 -0.239 0.000 1.145 484 S CA 0.885 58.943 58.200 -0.238 0.000 0.852 484 S CB 1.426 64.479 63.200 -0.245 0.000 1.119 484 S HN 2.441 nan 8.310 nan 0.000 0.465 485 G N 1.458 110.160 108.800 -0.163 0.000 2.579 485 G HA2 0.584 4.542 3.960 -0.003 0.000 0.292 485 G HA3 0.584 4.542 3.960 -0.003 0.000 0.292 485 G C -2.434 172.359 174.900 -0.178 0.000 1.484 485 G CA -0.593 44.408 45.100 -0.166 0.000 0.813 485 G HN 0.769 nan 8.290 nan 0.000 0.515 486 L N 0.248 121.350 121.223 -0.202 0.000 2.445 486 L HA 0.609 4.947 4.340 -0.003 0.000 0.262 486 L C -1.368 175.343 176.870 -0.265 0.000 0.974 486 L CA -0.715 53.964 54.840 -0.269 0.000 0.822 486 L CB 3.033 44.876 42.059 -0.361 0.000 1.339 486 L HN 0.591 nan 8.230 nan 0.000 0.409 487 F N 2.477 122.163 119.950 -0.441 0.000 2.382 487 F HA 0.512 5.037 4.527 -0.003 0.000 0.361 487 F C -1.041 174.528 175.800 -0.385 0.000 1.109 487 F CA -0.622 57.192 58.000 -0.310 0.000 1.031 487 F CB 0.745 39.626 39.000 -0.198 0.000 1.234 487 F HN 0.288 nan 8.300 nan 0.000 0.445 488 Y N 5.889 126.337 120.300 0.247 0.000 2.320 488 Y HA 0.497 5.045 4.550 -0.004 0.000 0.334 488 Y C -0.665 175.359 175.900 0.208 0.000 1.055 488 Y CA -0.835 57.355 58.100 0.150 0.000 1.143 488 Y CB 1.483 39.961 38.460 0.031 0.000 1.193 488 Y HN 0.457 nan 8.280 nan 0.000 0.477 489 L N 4.622 125.980 121.223 0.225 0.000 2.325 489 L HA 0.456 4.794 4.340 -0.003 0.000 0.281 489 L C -0.280 176.671 176.870 0.134 0.000 1.004 489 L CA -0.432 54.480 54.840 0.121 0.000 0.823 489 L CB 0.792 42.764 42.059 -0.144 0.000 1.236 489 L HN 0.708 nan 8.230 nan 0.000 0.415 490 N N 3.619 122.404 118.700 0.142 0.000 2.721 490 N HA -0.250 4.488 4.740 -0.003 0.000 0.249 490 N C -0.181 175.370 175.510 0.067 0.000 1.072 490 N CA 1.274 54.380 53.050 0.094 0.000 0.710 490 N CB -0.942 37.600 38.487 0.093 0.000 0.993 490 N HN 0.890 nan 8.380 nan 0.000 0.547 491 D N -2.268 118.176 120.400 0.074 0.000 3.046 491 D HA -0.188 4.450 4.640 -0.003 0.000 0.210 491 D C -0.468 175.895 176.300 0.106 0.000 1.124 491 D CA 1.195 55.195 54.000 -0.000 0.000 0.986 491 D CB -0.739 40.015 40.800 -0.077 0.000 1.118 491 D HN 0.618 nan 8.370 nan 0.000 0.416 492 E N 0.501 120.804 120.200 0.172 0.000 2.197 492 E HA 0.363 4.711 4.350 -0.003 0.000 0.281 492 E C 0.239 176.976 176.600 0.229 0.000 0.995 492 E CA -0.886 55.619 56.400 0.177 0.000 0.808 492 E CB 2.043 31.794 29.700 0.084 0.000 1.093 492 E HN 0.072 nan 8.360 nan 0.000 0.394 493 L N 4.642 125.980 121.223 0.190 0.000 2.433 493 L HA 0.057 4.395 4.340 -0.003 0.000 0.275 493 L C 0.673 177.481 176.870 -0.104 0.000 1.128 493 L CA 0.588 55.374 54.840 -0.090 0.000 0.875 493 L CB 0.017 41.987 42.059 -0.148 0.000 1.171 493 L HN 0.634 nan 8.230 nan 0.000 0.463 494 I N 2.626 123.094 120.570 -0.169 0.000 3.790 494 I HA 0.374 4.542 4.170 -0.003 0.000 0.305 494 I C 0.075 176.069 176.117 -0.205 0.000 1.253 494 I CA 0.144 61.321 61.300 -0.206 0.000 1.355 494 I CB 0.226 38.016 38.000 -0.350 0.000 1.137 494 I HN 0.350 nan 8.210 nan 0.000 0.435 495 I N 2.102 122.553 120.570 -0.198 0.000 2.548 495 I HA 0.334 4.502 4.170 -0.003 0.000 0.287 495 I C -1.601 174.446 176.117 -0.117 0.000 1.103 495 I CA -0.502 60.717 61.300 -0.136 0.000 1.049 495 I CB 2.099 40.026 38.000 -0.123 0.000 1.232 495 I HN -0.040 nan 8.210 nan 0.000 0.429 496 D N 6.466 126.801 120.400 -0.107 0.000 2.454 496 D HA 0.201 4.839 4.640 -0.003 0.000 0.225 496 D C -0.188 176.047 176.300 -0.109 0.000 1.081 496 D CA -0.137 53.784 54.000 -0.133 0.000 0.864 496 D CB 1.215 41.958 40.800 -0.095 0.000 1.040 496 D HN 0.403 nan 8.370 nan 0.000 0.517 497 Q N 3.144 122.870 119.800 -0.123 0.000 2.268 497 Q HA 0.101 4.439 4.340 -0.003 0.000 0.289 497 Q C 0.628 176.548 176.000 -0.133 0.000 0.893 497 Q CA -0.089 55.659 55.803 -0.092 0.000 1.057 497 Q CB 1.209 29.914 28.738 -0.054 0.000 1.173 497 Q HN 0.520 nan 8.270 nan 0.000 0.449 498 K N -0.438 119.821 120.400 -0.235 0.000 2.273 498 K HA 0.059 4.377 4.320 -0.003 0.000 0.206 498 K C 0.069 176.529 176.600 -0.234 0.000 1.072 498 K CA 0.195 56.290 56.287 -0.320 0.000 0.953 498 K CB 0.593 32.746 32.500 -0.578 0.000 1.043 498 K HN 0.188 nan 8.250 nan 0.000 0.477 499 H N 1.621 120.675 119.070 -0.027 0.000 2.604 499 H HA 0.174 4.728 4.556 -0.004 0.000 0.306 499 H C -0.639 174.680 175.328 -0.014 0.000 1.075 499 H CA -0.134 55.903 56.048 -0.018 0.000 1.357 499 H CB 0.452 30.203 29.762 -0.018 0.000 1.426 499 H HN 0.343 nan 8.280 nan 0.000 0.470 500 N N 2.288 121.052 118.700 0.106 0.000 2.708 500 N HA -0.196 4.542 4.740 -0.003 0.000 0.255 500 N C -0.611 174.920 175.510 0.034 0.000 1.046 500 N CA 0.015 53.099 53.050 0.057 0.000 0.715 500 N CB -0.692 37.825 38.487 0.051 0.000 0.895 500 N HN 0.637 nan 8.380 nan 0.000 0.545 501 Q N 0.811 120.626 119.800 0.025 0.000 2.364 501 Q HA 0.109 4.448 4.340 -0.003 0.000 0.267 501 Q C -0.086 175.924 176.000 0.016 0.000 0.999 501 Q CA 0.502 56.314 55.803 0.016 0.000 0.886 501 Q CB 0.694 29.442 28.738 0.017 0.000 1.243 501 Q HN 0.320 nan 8.270 nan 0.000 0.415 502 E N 2.431 122.638 120.200 0.013 0.000 2.133 502 E HA 0.216 4.564 4.350 -0.003 0.000 0.274 502 E C -0.755 175.851 176.600 0.009 0.000 0.930 502 E CA -0.549 55.857 56.400 0.010 0.000 0.770 502 E CB 1.271 30.976 29.700 0.008 0.000 1.104 502 E HN 0.273 nan 8.360 nan 0.000 0.403 503 R N 1.701 122.202 120.500 0.002 0.000 2.590 503 R HA 0.347 4.685 4.340 -0.003 0.000 0.274 503 R C 0.339 176.634 176.300 -0.008 0.000 1.061 503 R CA 0.141 56.238 56.100 -0.005 0.000 1.081 503 R CB 0.782 31.071 30.300 -0.019 0.000 0.984 503 R HN 0.683 nan 8.270 nan 0.000 0.448 504 G N -0.226 108.571 108.800 -0.005 0.000 2.772 504 G HA2 0.105 4.063 3.960 -0.003 0.000 0.284 504 G HA3 0.105 4.063 3.960 -0.003 0.000 0.284 504 G C 0.030 174.910 174.900 -0.034 0.000 1.217 504 G CA -0.517 44.572 45.100 -0.017 0.000 0.831 504 G HN 0.413 nan 8.290 nan 0.000 0.523 505 S N -0.682 114.990 115.700 -0.047 0.000 2.446 505 S HA 0.176 4.644 4.470 -0.003 0.000 0.225 505 S C 0.757 175.426 174.600 0.115 0.000 1.016 505 S CA -0.054 58.078 58.200 -0.113 0.000 0.943 505 S CB -0.199 62.875 63.200 -0.211 0.000 0.786 505 S HN 0.354 nan 8.310 nan 0.000 0.508 506 F N 2.222 122.198 119.950 0.042 0.000 2.623 506 F HA 0.021 4.546 4.527 -0.004 0.000 0.383 506 F C 0.958 176.856 175.800 0.164 0.000 1.077 506 F CA -0.463 57.605 58.000 0.112 0.000 1.268 506 F CB -0.180 38.878 39.000 0.098 0.000 1.053 506 F HN 0.225 nan 8.300 nan 0.000 0.571 507 C N 7.670 126.581 119.300 -0.649 0.000 4.058 507 C HA -0.241 4.217 4.460 -0.003 0.000 0.307 507 C C 0.601 175.673 174.990 0.137 0.000 1.247 507 C CA 0.113 58.937 59.018 -0.324 0.000 2.165 507 C CB -2.919 24.671 27.740 -0.250 0.000 1.350 507 C HN 1.016 nan 8.230 nan 0.000 0.648 508 F N -1.138 118.787 119.950 -0.041 0.000 3.074 508 F HA -0.256 4.269 4.527 -0.003 0.000 0.287 508 F C 1.495 177.399 175.800 0.172 0.000 0.932 508 F CA 0.841 58.895 58.000 0.090 0.000 0.995 508 F CB -1.528 37.487 39.000 0.024 0.000 0.966 508 F HN 1.488 nan 8.300 nan 0.000 0.721 509 G N -0.992 108.013 108.800 0.342 0.000 2.184 509 G HA2 -0.242 3.716 3.960 -0.003 0.000 0.264 509 G HA3 -0.242 3.716 3.960 -0.003 0.000 0.264 509 G C 0.915 175.818 174.900 0.006 0.000 0.975 509 G CA 0.529 45.702 45.100 0.121 0.000 0.642 509 G HN 1.287 nan 8.290 nan 0.000 0.536 510 A N 0.030 122.810 122.820 -0.067 0.000 1.903 510 A HA 0.597 4.915 4.320 -0.003 0.000 0.213 510 A C 2.119 179.497 177.584 -0.344 0.000 1.185 510 A CA 1.980 53.831 52.037 -0.310 0.000 0.628 510 A CB -0.565 18.060 19.000 -0.626 0.000 0.830 510 A HN 1.670 nan 8.150 nan 0.000 0.446 511 G N -0.704 108.004 108.800 -0.153 0.000 2.624 511 G HA2 0.397 4.355 3.960 -0.003 0.000 0.217 511 G HA3 0.397 4.355 3.960 -0.003 0.000 0.217 511 G C 0.429 175.393 174.900 0.106 0.000 1.506 511 G CA 0.561 45.708 45.100 0.078 0.000 1.072 511 G HN 0.657 nan 8.290 nan 0.000 0.568 512 T N -1.645 113.010 114.554 0.168 0.000 2.934 512 T HA 0.504 4.852 4.350 -0.003 0.000 0.283 512 T C 0.067 174.812 174.700 0.075 0.000 1.005 512 T CA -0.682 61.468 62.100 0.085 0.000 1.041 512 T CB 1.500 70.400 68.868 0.054 0.000 1.042 512 T HN 0.396 nan 8.240 nan 0.000 0.505 513 K N 1.109 121.531 120.400 0.036 0.000 2.336 513 K HA 0.096 4.414 4.320 -0.003 0.000 0.262 513 K C 0.558 177.167 176.600 0.016 0.000 0.992 513 K CA -0.284 56.017 56.287 0.024 0.000 0.927 513 K CB 0.447 32.955 32.500 0.012 0.000 0.956 513 K HN 0.701 nan 8.250 nan 0.000 0.495 514 E N 1.782 121.989 120.200 0.012 0.000 2.392 514 E HA -0.022 4.326 4.350 -0.003 0.000 0.264 514 E C -0.602 175.995 176.600 -0.004 0.000 1.024 514 E CA 0.170 56.567 56.400 -0.005 0.000 0.903 514 E CB 0.646 30.348 29.700 0.003 0.000 0.963 514 E HN 0.276 nan 8.360 nan 0.000 0.432 515 R N 1.335 121.827 120.500 -0.013 0.000 2.740 515 R HA 0.428 4.766 4.340 -0.003 0.000 0.282 515 R C -0.835 175.453 176.300 -0.020 0.000 0.969 515 R CA -0.592 55.500 56.100 -0.014 0.000 0.918 515 R CB 2.126 32.414 30.300 -0.020 0.000 1.175 515 R HN 0.653 nan 8.270 nan 0.000 0.464 516 T N -1.019 113.521 114.554 -0.023 0.000 2.896 516 T HA 0.575 4.924 4.350 -0.003 0.000 0.297 516 T C -1.107 173.571 174.700 -0.036 0.000 1.108 516 T CA -1.037 61.045 62.100 -0.029 0.000 1.004 516 T CB 2.247 71.109 68.868 -0.011 0.000 1.159 516 T HN 0.336 nan 8.240 nan 0.000 0.499 517 K N 0.931 121.310 120.400 -0.034 0.000 2.507 517 K HA 0.517 4.835 4.320 -0.003 0.000 0.252 517 K C -1.003 175.630 176.600 0.056 0.000 0.943 517 K CA -0.659 55.616 56.287 -0.019 0.000 0.808 517 K CB 1.786 34.230 32.500 -0.094 0.000 1.142 517 K HN 0.748 nan 8.250 nan 0.000 0.426 518 K N 4.592 125.019 120.400 0.046 0.000 2.234 518 K HA 0.473 4.791 4.320 -0.003 0.000 0.282 518 K C -1.114 175.542 176.600 0.093 0.000 1.039 518 K CA -0.343 55.985 56.287 0.068 0.000 0.928 518 K CB 0.479 33.003 32.500 0.040 0.000 1.039 518 K HN 0.560 nan 8.250 nan 0.000 0.470 519 L N 3.365 124.678 121.223 0.149 0.000 2.464 519 L HA 0.292 4.630 4.340 -0.003 0.000 0.266 519 L C -0.606 176.364 176.870 0.167 0.000 0.965 519 L CA -1.043 53.883 54.840 0.145 0.000 0.833 519 L CB 2.311 44.460 42.059 0.150 0.000 1.296 519 L HN 0.649 nan 8.230 nan 0.000 0.405 520 T N 3.938 118.571 114.554 0.132 0.000 2.799 520 T HA 0.416 4.764 4.350 -0.003 0.000 0.296 520 T C -0.080 174.714 174.700 0.157 0.000 0.947 520 T CA -0.084 62.106 62.100 0.149 0.000 1.141 520 T CB 0.374 69.310 68.868 0.113 0.000 0.891 520 T HN 0.084 nan 8.240 nan 0.000 0.533 521 L N 3.349 124.682 121.223 0.183 0.000 2.304 521 L HA 0.591 4.929 4.340 -0.003 0.000 0.268 521 L C 0.156 177.136 176.870 0.183 0.000 1.010 521 L CA -0.833 54.086 54.840 0.133 0.000 0.813 521 L CB 1.278 43.247 42.059 -0.151 0.000 1.315 521 L HN 0.363 nan 8.230 nan 0.000 0.445 522 K N 1.668 122.212 120.400 0.240 0.000 2.339 522 K HA 0.278 4.596 4.320 -0.003 0.000 0.264 522 K C -0.562 176.106 176.600 0.113 0.000 0.986 522 K CA -0.863 55.520 56.287 0.160 0.000 0.866 522 K CB 1.390 33.967 32.500 0.128 0.000 1.103 522 K HN 0.326 nan 8.250 nan 0.000 0.441 523 K N 0.753 121.201 120.400 0.081 0.000 2.510 523 K HA -0.181 4.137 4.320 -0.003 0.000 0.272 523 K C 1.009 177.623 176.600 0.022 0.000 1.025 523 K CA 1.787 58.103 56.287 0.047 0.000 1.134 523 K CB -0.061 32.471 32.500 0.054 0.000 0.827 523 K HN 0.956 nan 8.250 nan 0.000 0.485 524 G N 2.576 111.372 108.800 -0.007 0.000 2.284 524 G HA2 -0.357 3.601 3.960 -0.003 0.000 0.261 524 G HA3 -0.357 3.601 3.960 -0.003 0.000 0.261 524 G C 0.321 175.201 174.900 -0.033 0.000 0.997 524 G CA 0.726 45.813 45.100 -0.021 0.000 0.621 524 G HN 0.655 nan 8.290 nan 0.000 0.534 525 Q N 0.137 119.926 119.800 -0.018 0.000 2.421 525 Q HA 0.504 4.842 4.340 -0.003 0.000 0.255 525 Q C -0.027 175.897 176.000 -0.126 0.000 1.013 525 Q CA -0.150 55.596 55.803 -0.095 0.000 0.895 525 Q CB 1.173 29.826 28.738 -0.142 0.000 1.271 525 Q HN 0.375 nan 8.270 nan 0.000 0.460 526 V N 5.333 125.112 119.914 -0.224 0.000 2.333 526 V HA 0.281 4.399 4.120 -0.003 0.000 0.274 526 V C -1.471 174.476 176.094 -0.245 0.000 1.028 526 V CA -0.227 61.991 62.300 -0.136 0.000 0.851 526 V CB 0.204 31.983 31.823 -0.074 0.000 1.000 526 V HN 0.668 nan 8.190 nan 0.000 0.456 527 Y N 5.085 125.423 120.300 0.064 0.000 2.335 527 Y HA 0.489 5.037 4.550 -0.003 0.000 0.338 527 Y C 0.673 176.649 175.900 0.126 0.000 0.977 527 Y CA -0.889 57.275 58.100 0.106 0.000 1.114 527 Y CB 1.270 39.832 38.460 0.171 0.000 1.182 527 Y HN 0.517 nan 8.280 nan 0.000 0.463 528 N N 3.148 121.977 118.700 0.215 0.000 2.411 528 N HA 0.211 4.949 4.740 -0.003 0.000 0.259 528 N C -0.777 174.843 175.510 0.183 0.000 1.103 528 N CA -0.193 52.953 53.050 0.160 0.000 0.954 528 N CB 1.498 40.036 38.487 0.086 0.000 1.085 528 N HN 0.477 nan 8.380 nan 0.000 0.485 529 V N 1.103 121.122 119.914 0.175 0.000 2.439 529 V HA 0.611 4.729 4.120 -0.003 0.000 0.282 529 V C 0.192 176.296 176.094 0.017 0.000 1.039 529 V CA -0.786 61.596 62.300 0.137 0.000 0.913 529 V CB 1.189 33.101 31.823 0.149 0.000 0.983 529 V HN 0.607 nan 8.190 nan 0.000 0.460 530 R N 3.661 124.138 120.500 -0.038 0.000 2.510 530 R HA 0.702 5.040 4.340 -0.003 0.000 0.294 530 R C -1.971 174.233 176.300 -0.159 0.000 1.056 530 R CA -0.478 55.591 56.100 -0.051 0.000 0.918 530 R CB 2.263 32.587 30.300 0.039 0.000 1.187 530 R HN 0.754 nan 8.270 nan 0.000 0.437 531 V N 4.286 124.042 119.914 -0.262 0.000 2.398 531 V HA 0.359 4.477 4.120 -0.003 0.000 0.286 531 V C -0.296 175.670 176.094 -0.214 0.000 1.026 531 V CA -0.738 61.358 62.300 -0.339 0.000 0.868 531 V CB 1.653 33.184 31.823 -0.487 0.000 0.982 531 V HN 0.676 nan 8.190 nan 0.000 0.443 532 E N 3.957 124.072 120.200 -0.141 0.000 2.175 532 E HA 0.410 4.758 4.350 -0.003 0.000 0.278 532 E C -1.352 175.150 176.600 -0.164 0.000 0.969 532 E CA -0.441 55.898 56.400 -0.101 0.000 0.796 532 E CB 2.495 32.197 29.700 0.003 0.000 1.104 532 E HN 0.655 nan 8.360 nan 0.000 0.395 533 Y N 0.351 120.457 120.300 -0.323 0.000 2.442 533 Y HA 0.555 5.104 4.550 -0.002 0.000 0.344 533 Y C -0.449 175.318 175.900 -0.223 0.000 0.976 533 Y CA -0.745 57.093 58.100 -0.436 0.000 1.040 533 Y CB 1.976 39.883 38.460 -0.921 0.000 1.228 533 Y HN 0.510 nan 8.280 nan 0.000 0.451 534 G N 3.442 111.600 108.800 -1.070 0.000 2.416 534 G HA2 0.462 4.420 3.960 -0.003 0.000 0.324 534 G HA3 0.462 4.420 3.960 -0.003 0.000 0.324 534 G C -0.606 173.179 174.900 -1.857 0.000 1.194 534 G CA -0.365 43.991 45.100 -1.241 0.000 0.922 534 G HN 0.904 nan 8.290 nan 0.000 0.467 535 S N 1.274 115.995 115.700 -1.631 0.000 2.632 535 S HA 0.371 4.839 4.470 -0.003 0.000 0.254 535 S C 1.981 176.111 174.600 -0.784 0.000 1.291 535 S CA 0.406 57.906 58.200 -1.167 0.000 0.974 535 S CB 0.523 62.891 63.200 -1.386 0.000 1.016 535 S HN 1.025 nan 8.310 nan 0.000 0.579 536 G N 0.673 109.119 108.800 -0.589 0.000 2.440 536 G HA2 0.105 4.063 3.960 -0.003 0.000 0.218 536 G HA3 0.105 4.063 3.960 -0.003 0.000 0.218 536 G C -1.716 173.017 174.900 -0.279 0.000 1.154 536 G CA 0.474 45.282 45.100 -0.485 0.000 0.767 536 G HN 0.602 nan 8.290 nan 0.000 0.552 547 A N -1.342 121.422 122.820 -0.094 0.000 1.933 547 A HA 0.449 4.767 4.320 -0.003 0.000 0.218 547 A C 2.361 179.754 177.584 -0.318 0.000 1.175 547 A CA 2.841 54.789 52.037 -0.148 0.000 0.628 547 A CB -1.118 17.953 19.000 0.119 0.000 0.814 547 A HN 2.851 nan 8.150 nan 0.000 0.444 548 G N -1.938 106.645 108.800 -0.362 0.000 2.523 548 G HA2 0.314 4.272 3.960 -0.003 0.000 0.271 548 G HA3 0.314 4.272 3.960 -0.003 0.000 0.271 548 G C 0.936 175.768 174.900 -0.113 0.000 1.146 548 G CA 0.516 45.362 45.100 -0.424 0.000 0.961 548 G HN 2.393 nan 8.290 nan 0.000 0.549 549 G N -2.221 106.657 108.800 0.130 0.000 2.333 549 G HA2 0.733 4.691 3.960 -0.003 0.000 0.288 549 G HA3 0.733 4.691 3.960 -0.003 0.000 0.288 549 G C -0.846 174.263 174.900 0.349 0.000 1.286 549 G CA 0.301 45.478 45.100 0.128 0.000 0.865 549 G HN 2.391 nan 8.290 nan 0.000 0.506 550 F N -1.914 118.022 119.950 -0.024 0.000 2.741 550 F HA 0.869 5.394 4.527 -0.003 0.000 0.311 550 F C -1.182 174.499 175.800 -0.199 0.000 1.149 550 F CA -0.995 56.860 58.000 -0.241 0.000 0.930 550 F CB 2.074 40.812 39.000 -0.437 0.000 1.312 550 F HN 0.723 nan 8.300 nan 0.000 0.450 551 Q N 2.229 121.855 119.800 -0.291 0.000 2.263 551 Q HA 0.744 5.082 4.340 -0.003 0.000 0.266 551 Q C -1.973 174.027 176.000 -0.000 0.000 1.002 551 Q CA -0.856 54.845 55.803 -0.169 0.000 0.790 551 Q CB 2.208 30.883 28.738 -0.105 0.000 1.272 551 Q HN 1.231 nan 8.270 nan 0.000 0.435 552 A N 2.389 125.271 122.820 0.104 0.000 2.312 552 A HA 0.946 5.264 4.320 -0.003 0.000 0.326 552 A C -0.208 177.470 177.584 0.155 0.000 1.172 552 A CA 0.177 52.329 52.037 0.192 0.000 0.821 552 A CB 1.427 20.484 19.000 0.095 0.000 1.166 552 A HN 0.793 nan 8.150 nan 0.000 0.493 553 G N -0.965 107.950 108.800 0.192 0.000 2.708 553 G HA2 0.636 4.594 3.960 -0.003 0.000 0.289 553 G HA3 0.636 4.594 3.960 -0.003 0.000 0.289 553 G C -1.736 173.141 174.900 -0.038 0.000 1.416 553 G CA -0.411 44.714 45.100 0.042 0.000 0.829 553 G HN 1.539 nan 8.290 nan 0.000 0.480 554 V N 0.088 119.872 119.914 -0.217 0.000 2.891 554 V HA 0.764 4.882 4.120 -0.003 0.000 0.304 554 V C -1.519 174.380 176.094 -0.326 0.000 1.171 554 V CA -0.711 61.322 62.300 -0.444 0.000 0.943 554 V CB 1.782 33.082 31.823 -0.872 0.000 1.037 554 V HN 0.868 nan 8.190 nan 0.000 0.427 555 I N 4.741 125.118 120.570 -0.323 0.000 2.582 555 I HA 0.575 4.743 4.170 -0.003 0.000 0.292 555 I C -0.553 175.408 176.117 -0.260 0.000 1.066 555 I CA -0.869 60.267 61.300 -0.273 0.000 1.053 555 I CB 1.942 39.690 38.000 -0.420 0.000 1.241 555 I HN 0.708 nan 8.210 nan 0.000 0.421 556 K N 6.693 126.927 120.400 -0.277 0.000 2.402 556 K HA 0.455 4.773 4.320 -0.003 0.000 0.285 556 K C -0.561 175.879 176.600 -0.266 0.000 1.054 556 K CA 0.084 56.002 56.287 -0.615 0.000 1.001 556 K CB 0.599 32.794 32.500 -0.508 0.000 0.946 556 K HN 0.553 nan 8.250 nan 0.000 0.473 557 A N 5.652 128.299 122.820 -0.289 0.000 2.440 557 A HA 0.484 4.802 4.320 -0.003 0.000 0.251 557 A C 0.136 177.702 177.584 -0.029 0.000 1.089 557 A CA -0.377 51.623 52.037 -0.063 0.000 0.779 557 A CB -0.411 18.552 19.000 -0.061 0.000 1.022 557 A HN 0.911 nan 8.150 nan 0.000 0.492 558 I N -1.087 119.513 120.570 0.049 0.000 3.002 558 I HA 0.544 4.712 4.170 -0.003 0.000 0.310 558 I C -0.799 175.298 176.117 -0.034 0.000 1.087 558 I CA -1.038 60.245 61.300 -0.028 0.000 1.017 558 I CB 2.072 39.997 38.000 -0.125 0.000 1.226 558 I HN 0.434 nan 8.210 nan 0.000 0.443 559 D N 2.928 123.294 120.400 -0.056 0.000 2.336 559 D HA 0.082 4.720 4.640 -0.003 0.000 0.249 559 D C 0.382 176.637 176.300 -0.074 0.000 1.213 559 D CA 0.260 54.231 54.000 -0.048 0.000 0.870 559 D CB 1.077 41.851 40.800 -0.043 0.000 1.076 559 D HN 0.568 nan 8.370 nan 0.000 0.483 560 D N 2.611 122.978 120.400 -0.055 0.000 2.095 560 D HA -0.205 4.433 4.640 -0.003 0.000 0.192 560 D C 1.234 177.493 176.300 -0.068 0.000 0.990 560 D CA 1.493 55.454 54.000 -0.066 0.000 0.836 560 D CB 0.052 40.836 40.800 -0.026 0.000 0.979 560 D HN 0.639 nan 8.370 nan 0.000 0.447 561 D N -0.283 120.090 120.400 -0.044 0.000 2.317 561 D HA -0.092 4.546 4.640 -0.003 0.000 0.211 561 D C 1.665 177.937 176.300 -0.047 0.000 0.966 561 D CA 0.575 54.550 54.000 -0.041 0.000 0.876 561 D CB -0.354 40.431 40.800 -0.025 0.000 0.927 561 D HN 0.246 nan 8.370 nan 0.000 0.519 562 E N 0.899 121.069 120.200 -0.050 0.000 2.106 562 E HA -0.241 4.107 4.350 -0.003 0.000 0.192 562 E C 1.852 178.410 176.600 -0.070 0.000 0.984 562 E CA 1.130 57.500 56.400 -0.051 0.000 0.806 562 E CB -0.178 29.495 29.700 -0.045 0.000 0.750 562 E HN 0.169 nan 8.360 nan 0.000 0.458 563 E N 0.241 120.384 120.200 -0.096 0.000 2.208 563 E HA -0.035 4.313 4.350 -0.003 0.000 0.193 563 E C 1.809 178.337 176.600 -0.120 0.000 0.988 563 E CA 0.969 57.294 56.400 -0.126 0.000 0.828 563 E CB -0.230 29.359 29.700 -0.185 0.000 0.763 563 E HN 0.491 nan 8.360 nan 0.000 0.478 564 I N -0.189 120.321 120.570 -0.099 0.000 2.353 564 I HA -0.189 3.979 4.170 -0.003 0.000 0.248 564 I C 2.498 178.572 176.117 -0.072 0.000 1.119 564 I CA 0.810 62.059 61.300 -0.086 0.000 1.417 564 I CB -0.203 37.757 38.000 -0.067 0.000 1.078 564 I HN 0.072 nan 8.210 nan 0.000 0.421 565 R N 0.588 121.052 120.500 -0.060 0.000 2.066 565 R HA -0.180 4.158 4.340 -0.003 0.000 0.232 565 R C 2.174 178.444 176.300 -0.049 0.000 1.131 565 R CA 1.739 57.811 56.100 -0.047 0.000 0.955 565 R CB -0.413 29.865 30.300 -0.037 0.000 0.851 565 R HN 0.289 nan 8.270 nan 0.000 0.432 566 N N 0.756 119.422 118.700 -0.057 0.000 2.061 566 N HA -0.211 4.527 4.740 -0.003 0.000 0.193 566 N C 1.575 177.046 175.510 -0.066 0.000 1.030 566 N CA 2.094 55.110 53.050 -0.058 0.000 0.856 566 N CB -0.229 38.215 38.487 -0.071 0.000 1.023 566 N HN 0.243 nan 8.380 nan 0.000 0.424 567 A N 0.162 122.927 122.820 -0.092 0.000 1.883 567 A HA 0.005 4.324 4.320 -0.003 0.000 0.217 567 A C 2.383 179.921 177.584 -0.077 0.000 1.186 567 A CA 2.197 54.171 52.037 -0.105 0.000 0.624 567 A CB -1.365 17.558 19.000 -0.129 0.000 0.822 567 A HN 0.491 nan 8.150 nan 0.000 0.444 568 A N 0.741 123.522 122.820 -0.065 0.000 1.845 568 A HA -0.213 4.105 4.320 -0.003 0.000 0.215 568 A C 2.049 179.616 177.584 -0.028 0.000 1.195 568 A CA 1.940 53.946 52.037 -0.051 0.000 0.616 568 A CB -0.812 18.160 19.000 -0.047 0.000 0.832 568 A HN 0.788 nan 8.150 nan 0.000 0.443 569 E N -0.107 120.080 120.200 -0.021 0.000 2.153 569 E HA -0.145 4.203 4.350 -0.003 0.000 0.194 569 E C 1.919 178.533 176.600 0.023 0.000 0.988 569 E CA 1.190 57.588 56.400 -0.003 0.000 0.811 569 E CB -0.476 29.219 29.700 -0.008 0.000 0.746 569 E HN 0.557 nan 8.360 nan 0.000 0.466 570 L N 0.706 121.944 121.223 0.025 0.000 2.131 570 L HA -0.128 4.210 4.340 -0.003 0.000 0.210 570 L C 2.705 179.665 176.870 0.151 0.000 1.092 570 L CA 1.008 55.902 54.840 0.090 0.000 0.759 570 L CB -0.365 41.718 42.059 0.040 0.000 0.903 570 L HN 0.314 nan 8.230 nan 0.000 0.435 571 A N -0.250 122.594 122.820 0.040 0.000 1.897 571 A HA -0.119 4.199 4.320 -0.003 0.000 0.215 571 A C 2.521 180.147 177.584 0.069 0.000 1.181 571 A CA 1.407 53.461 52.037 0.027 0.000 0.620 571 A CB -0.631 18.345 19.000 -0.040 0.000 0.821 571 A HN 0.387 nan 8.150 nan 0.000 0.443 572 A N -0.045 122.799 122.820 0.041 0.000 1.940 572 A HA -0.193 4.125 4.320 -0.003 0.000 0.219 572 A C 1.994 179.602 177.584 0.040 0.000 1.176 572 A CA 1.834 53.888 52.037 0.028 0.000 0.631 572 A CB -0.440 18.565 19.000 0.008 0.000 0.814 572 A HN 0.502 nan 8.150 nan 0.000 0.446 573 K N -0.834 119.604 120.400 0.064 0.000 2.555 573 K HA 0.020 4.338 4.320 -0.003 0.000 0.193 573 K C -0.459 176.055 176.600 -0.143 0.000 1.032 573 K CA 0.255 56.530 56.287 -0.020 0.000 1.004 573 K CB -0.122 32.352 32.500 -0.045 0.000 0.804 573 K HN 0.675 nan 8.250 nan 0.000 0.496 574 H N -1.535 117.531 119.070 -0.007 0.000 2.771 574 H HA 0.075 4.629 4.556 -0.003 0.000 0.367 574 H C 0.296 175.621 175.328 -0.005 0.000 1.172 574 H CA -0.801 55.246 56.048 -0.000 0.000 1.186 574 H CB 1.614 31.380 29.762 0.006 0.000 1.790 574 H HN -0.199 nan 8.280 nan 0.000 0.556 575 D N 0.621 121.093 120.400 0.120 0.000 2.092 575 D HA -0.074 4.565 4.640 -0.003 0.000 0.193 575 D C -0.284 176.048 176.300 0.053 0.000 0.994 575 D CA 1.617 55.655 54.000 0.063 0.000 0.828 575 D CB 0.355 41.190 40.800 0.058 0.000 0.963 575 D HN 0.318 nan 8.370 nan 0.000 0.450 576 K N -1.216 119.225 120.400 0.069 0.000 2.501 576 K HA 0.680 4.998 4.320 -0.003 0.000 0.252 576 K C -1.517 175.084 176.600 0.002 0.000 0.934 576 K CA -0.641 55.657 56.287 0.019 0.000 0.797 576 K CB 2.630 35.130 32.500 -0.002 0.000 1.270 576 K HN -0.031 nan 8.250 nan 0.000 0.431 577 A N 2.221 125.020 122.820 -0.034 0.000 2.317 577 A HA 0.597 4.915 4.320 -0.003 0.000 0.327 577 A C -0.797 176.749 177.584 -0.064 0.000 1.178 577 A CA -0.642 51.356 52.037 -0.065 0.000 0.817 577 A CB 0.893 19.844 19.000 -0.082 0.000 1.189 577 A HN 0.392 nan 8.150 nan 0.000 0.489 578 V N 3.561 123.447 119.914 -0.047 0.000 2.328 578 V HA 0.335 4.453 4.120 -0.003 0.000 0.278 578 V C -0.609 175.469 176.094 -0.027 0.000 1.021 578 V CA -0.468 61.812 62.300 -0.034 0.000 0.838 578 V CB 0.854 32.679 31.823 0.004 0.000 0.999 578 V HN 0.728 nan 8.190 nan 0.000 0.447 579 L N 7.247 128.435 121.223 -0.058 0.000 2.280 579 L HA 0.598 4.936 4.340 -0.003 0.000 0.287 579 L C -0.434 176.420 176.870 -0.027 0.000 1.023 579 L CA -0.212 54.589 54.840 -0.065 0.000 0.819 579 L CB 1.229 43.204 42.059 -0.140 0.000 1.212 579 L HN 0.428 nan 8.230 nan 0.000 0.420 580 I N 7.245 127.832 120.570 0.028 0.000 2.359 580 I HA 0.398 4.566 4.170 -0.003 0.000 0.284 580 I C 0.129 176.306 176.117 0.099 0.000 1.018 580 I CA -0.302 61.042 61.300 0.074 0.000 1.173 580 I CB 0.745 38.816 38.000 0.120 0.000 1.326 580 I HN 0.588 nan 8.210 nan 0.000 0.462 581 I N 2.160 122.797 120.570 0.112 0.000 3.294 581 I HA 1.083 5.251 4.170 -0.003 0.000 0.311 581 I C 0.321 176.556 176.117 0.197 0.000 1.111 581 I CA -0.687 60.704 61.300 0.152 0.000 0.976 581 I CB 2.506 40.603 38.000 0.162 0.000 1.260 581 I HN 0.599 nan 8.210 nan 0.000 0.474 582 G N 0.848 109.776 108.800 0.214 0.000 2.288 582 G HA2 0.147 4.105 3.960 -0.003 0.000 0.227 582 G HA3 0.147 4.105 3.960 -0.003 0.000 0.227 582 G C -1.308 173.715 174.900 0.205 0.000 1.339 582 G CA -0.619 44.617 45.100 0.226 0.000 1.057 582 G HN 0.707 nan 8.290 nan 0.000 0.470 583 L N 0.550 121.936 121.223 0.273 0.000 2.693 583 L HA 0.765 5.103 4.340 -0.003 0.000 0.253 583 L C 0.516 177.678 176.870 0.487 0.000 1.155 583 L CA -0.608 54.441 54.840 0.349 0.000 1.026 583 L CB 1.595 43.849 42.059 0.325 0.000 1.817 583 L HN 1.042 nan 8.230 nan 0.000 0.556 584 N N -2.504 116.486 118.700 0.484 0.000 3.277 584 N HA 0.180 4.918 4.740 -0.003 0.000 0.278 584 N C 0.043 175.484 175.510 -0.115 0.000 1.544 584 N CA -0.207 52.897 53.050 0.089 0.000 0.869 584 N CB 0.643 39.194 38.487 0.108 0.000 1.584 584 N HN 0.445 nan 8.380 nan 0.000 0.564 585 G N -1.324 107.261 108.800 -0.358 0.000 2.807 585 G HA2 -0.057 3.901 3.960 -0.003 0.000 0.207 585 G HA3 -0.057 3.901 3.960 -0.003 0.000 0.207 585 G C 0.334 175.078 174.900 -0.260 0.000 1.151 585 G CA 0.358 45.215 45.100 -0.405 0.000 0.800 585 G HN 0.650 nan 8.290 nan 0.000 0.523 586 E N -1.057 119.026 120.200 -0.194 0.000 2.290 586 E HA 0.021 4.369 4.350 -0.003 0.000 0.197 586 E C 1.786 178.309 176.600 -0.128 0.000 0.948 586 E CA -0.244 56.035 56.400 -0.201 0.000 0.895 586 E CB 0.061 29.590 29.700 -0.285 0.000 0.865 586 E HN 0.662 nan 8.360 nan 0.000 0.486 587 W N 1.995 123.340 121.300 0.075 0.000 2.436 587 W HA -0.000 4.658 4.660 -0.003 0.000 0.284 587 W C 0.778 177.353 176.519 0.093 0.000 1.225 587 W CA 0.230 57.652 57.345 0.128 0.000 1.271 587 W CB 0.407 29.937 29.460 0.118 0.000 1.114 587 W HN -0.156 nan 8.180 nan 0.000 0.559 588 E N 0.339 120.652 120.200 0.189 0.000 2.186 588 E HA 0.317 4.665 4.350 -0.003 0.000 0.255 588 E C -0.739 175.801 176.600 -0.100 0.000 0.881 588 E CA -0.166 56.305 56.400 0.120 0.000 0.752 588 E CB 1.891 31.713 29.700 0.203 0.000 1.176 588 E HN -0.340 nan 8.360 nan 0.000 0.421 589 T N 1.681 116.146 114.554 -0.148 0.000 2.942 589 T HA 0.091 4.439 4.350 -0.003 0.000 0.327 589 T C -1.123 173.379 174.700 -0.330 0.000 1.360 589 T CA -0.746 61.174 62.100 -0.302 0.000 1.055 589 T CB 1.436 69.957 68.868 -0.579 0.000 1.261 589 T HN 0.531 nan 8.240 nan 0.000 0.485 590 E N 1.624 121.667 120.200 -0.263 0.000 2.653 590 E HA 0.256 4.604 4.350 -0.003 0.000 0.264 590 E C 1.237 177.458 176.600 -0.632 0.000 0.949 590 E CA 1.882 58.056 56.400 -0.376 0.000 0.953 590 E CB -0.320 29.136 29.700 -0.407 0.000 0.925 590 E HN 1.070 nan 8.360 nan 0.000 0.475 591 G N 2.995 111.621 108.800 -0.290 0.000 2.436 591 G HA2 -0.245 3.713 3.960 -0.003 0.000 0.204 591 G HA3 -0.245 3.713 3.960 -0.003 0.000 0.204 591 G C -0.725 174.226 174.900 0.086 0.000 1.026 591 G CA 0.066 45.113 45.100 -0.088 0.000 0.658 591 G HN 0.809 nan 8.290 nan 0.000 0.499 592 Y N -0.023 120.284 120.300 0.012 0.000 2.656 592 Y HA 0.772 5.320 4.550 -0.003 0.000 0.334 592 Y C -1.048 174.899 175.900 0.078 0.000 1.179 592 Y CA -1.591 56.537 58.100 0.046 0.000 1.050 592 Y CB 0.504 38.993 38.460 0.048 0.000 1.308 592 Y HN -0.000 nan 8.280 nan 0.000 0.456 593 D N 1.084 121.665 120.400 0.302 0.000 2.340 593 D HA 0.356 4.994 4.640 -0.003 0.000 0.251 593 D C -0.397 176.106 176.300 0.337 0.000 1.080 593 D CA -0.669 53.499 54.000 0.279 0.000 0.971 593 D CB 1.171 42.145 40.800 0.291 0.000 1.137 593 D HN 0.516 nan 8.370 nan 0.000 0.475 594 R N 0.552 121.219 120.500 0.278 0.000 2.641 594 R HA 0.087 4.425 4.340 -0.003 0.000 0.269 594 R C 1.023 177.437 176.300 0.190 0.000 1.074 594 R CA -0.066 56.182 56.100 0.248 0.000 1.133 594 R CB 0.883 31.284 30.300 0.168 0.000 1.029 594 R HN 0.490 nan 8.270 nan 0.000 0.488 595 E N 0.665 120.960 120.200 0.158 0.000 2.250 595 E HA -0.077 4.271 4.350 -0.003 0.000 0.192 595 E C -0.151 176.493 176.600 0.072 0.000 0.986 595 E CA 0.652 57.117 56.400 0.108 0.000 0.849 595 E CB 0.220 29.978 29.700 0.096 0.000 0.797 595 E HN 0.583 nan 8.360 nan 0.000 0.482 599 L N 1.482 122.634 121.223 -0.117 0.000 2.439 599 L HA 0.347 4.685 4.340 -0.003 0.000 0.269 599 L C -1.939 174.826 176.870 -0.175 0.000 1.179 599 L CA -1.086 53.694 54.840 -0.100 0.000 0.828 599 L CB 0.071 42.180 42.059 0.083 0.000 1.106 599 L HN 0.112 nan 8.230 nan 0.000 0.467 600 P HA 0.297 nan 4.420 nan 0.000 0.282 600 P C -0.556 176.676 177.300 -0.114 0.000 1.249 600 P CA -0.577 62.303 63.100 -0.366 0.000 0.806 600 P CB 1.153 32.498 31.700 -0.592 0.000 0.984 601 K N 0.621 120.979 120.400 -0.070 0.000 1.779 601 K HA -0.277 4.041 4.320 -0.003 0.000 0.128 601 K C 0.734 177.343 176.600 0.014 0.000 1.288 601 K CA 1.287 57.577 56.287 0.005 0.000 0.398 601 K CB -1.173 31.351 32.500 0.040 0.000 0.609 601 K HN 0.460 nan 8.250 nan 0.000 0.874 602 R N 1.353 121.868 120.500 0.026 0.000 2.480 602 R HA 0.124 4.462 4.340 -0.003 0.000 0.277 602 R C 1.389 177.709 176.300 0.033 0.000 1.008 602 R CA 0.299 56.413 56.100 0.024 0.000 1.090 602 R CB 0.161 30.465 30.300 0.006 0.000 1.234 602 R HN 0.413 nan 8.270 nan 0.000 0.549 603 T N 1.491 116.077 114.554 0.052 0.000 2.652 603 T HA -0.134 4.214 4.350 -0.003 0.000 0.267 603 T C 1.541 176.308 174.700 0.112 0.000 1.039 603 T CA 1.418 63.566 62.100 0.080 0.000 1.153 603 T CB -0.083 68.851 68.868 0.111 0.000 0.863 603 T HN 0.297 nan 8.240 nan 0.000 0.428 604 N N 0.648 119.454 118.700 0.178 0.000 2.270 604 N HA -0.043 4.695 4.740 -0.003 0.000 0.181 604 N C 1.881 177.485 175.510 0.156 0.000 1.016 604 N CA 0.685 53.917 53.050 0.304 0.000 0.870 604 N CB -0.231 38.456 38.487 0.334 0.000 0.979 604 N HN 0.573 nan 8.380 nan 0.000 0.431 605 E N 0.616 120.864 120.200 0.081 0.000 2.028 605 E HA -0.144 4.204 4.350 -0.003 0.000 0.191 605 E C 1.940 178.527 176.600 -0.022 0.000 0.988 605 E CA 0.537 56.956 56.400 0.031 0.000 0.799 605 E CB -0.045 29.666 29.700 0.019 0.000 0.755 605 E HN 0.084 nan 8.360 nan 0.000 0.447 606 L N 0.758 121.959 121.223 -0.036 0.000 2.021 606 L HA -0.219 4.119 4.340 -0.003 0.000 0.215 606 L C 2.275 179.059 176.870 -0.142 0.000 1.074 606 L CA 1.671 56.464 54.840 -0.079 0.000 0.760 606 L CB -0.660 41.357 42.059 -0.070 0.000 0.889 606 L HN 0.047 nan 8.230 nan 0.000 0.433 607 V N -0.070 119.718 119.914 -0.208 0.000 2.295 607 V HA -0.284 3.834 4.120 -0.003 0.000 0.246 607 V C 2.738 178.585 176.094 -0.411 0.000 1.049 607 V CA 2.184 64.209 62.300 -0.458 0.000 1.024 607 V CB -0.707 30.550 31.823 -0.943 0.000 0.648 607 V HN 0.471 nan 8.190 nan 0.000 0.447 608 R N 0.060 120.414 120.500 -0.245 0.000 2.091 608 R HA -0.178 4.160 4.340 -0.003 0.000 0.238 608 R C 2.412 178.659 176.300 -0.089 0.000 1.136 608 R CA 1.604 57.642 56.100 -0.104 0.000 0.959 608 R CB -0.620 29.691 30.300 0.018 0.000 0.856 608 R HN 0.556 nan 8.270 nan 0.000 0.437 609 A N 0.547 123.316 122.820 -0.085 0.000 1.898 609 A HA -0.090 4.228 4.320 -0.003 0.000 0.216 609 A C 2.373 179.903 177.584 -0.089 0.000 1.181 609 A CA 1.220 53.214 52.037 -0.071 0.000 0.620 609 A CB -0.446 18.517 19.000 -0.063 0.000 0.819 609 A HN 0.109 nan 8.150 nan 0.000 0.442 610 V N 0.252 120.091 119.914 -0.126 0.000 2.261 610 V HA -0.256 3.862 4.120 -0.003 0.000 0.246 610 V C 2.558 178.579 176.094 -0.123 0.000 1.047 610 V CA 1.996 64.219 62.300 -0.128 0.000 1.015 610 V CB -0.800 30.929 31.823 -0.158 0.000 0.642 610 V HN 0.575 nan 8.190 nan 0.000 0.446 611 L N -0.359 120.769 121.223 -0.158 0.000 2.127 611 L HA -0.204 4.134 4.340 -0.003 0.000 0.211 611 L C 2.600 179.427 176.870 -0.073 0.000 1.089 611 L CA 1.585 56.349 54.840 -0.127 0.000 0.757 611 L CB -0.616 41.355 42.059 -0.147 0.000 0.899 611 L HN 0.315 nan 8.230 nan 0.000 0.434 612 K N 0.374 120.736 120.400 -0.062 0.000 2.057 612 K HA -0.131 4.187 4.320 -0.003 0.000 0.206 612 K C 2.090 178.670 176.600 -0.033 0.000 1.050 612 K CA 1.332 57.597 56.287 -0.037 0.000 0.935 612 K CB -0.010 32.472 32.500 -0.030 0.000 0.715 612 K HN 0.281 nan 8.250 nan 0.000 0.439 613 A N 0.848 123.644 122.820 -0.040 0.000 2.066 613 A HA -0.062 4.256 4.320 -0.003 0.000 0.218 613 A C 0.652 178.222 177.584 -0.025 0.000 1.157 613 A CA 0.838 52.858 52.037 -0.029 0.000 0.670 613 A CB -0.002 18.979 19.000 -0.031 0.000 0.804 613 A HN 0.354 nan 8.150 nan 0.000 0.453 614 N N -1.606 117.073 118.700 -0.035 0.000 2.793 614 N HA 0.222 4.960 4.740 -0.003 0.000 0.251 614 N C -2.913 172.572 175.510 -0.042 0.000 1.308 614 N CA -1.264 51.769 53.050 -0.029 0.000 0.781 614 N CB 1.222 39.697 38.487 -0.021 0.000 1.439 614 N HN -0.223 nan 8.380 nan 0.000 0.562 615 P HA 0.018 nan 4.420 nan 0.000 0.221 615 P C 0.152 177.428 177.300 -0.039 0.000 1.145 615 P CA 0.997 64.076 63.100 -0.035 0.000 0.795 615 P CB 0.300 31.988 31.700 -0.021 0.000 0.775 616 N N -1.417 117.260 118.700 -0.038 0.000 2.327 616 N HA 0.046 4.784 4.740 -0.003 0.000 0.231 616 N C -0.109 175.367 175.510 -0.057 0.000 1.130 616 N CA 0.284 53.309 53.050 -0.042 0.000 0.845 616 N CB -0.481 37.986 38.487 -0.034 0.000 1.073 616 N HN 0.063 nan 8.380 nan 0.000 0.496 617 T N 0.733 115.244 114.554 -0.071 0.000 2.933 617 T HA -0.024 4.324 4.350 -0.003 0.000 0.306 617 T C 0.412 175.052 174.700 -0.099 0.000 1.045 617 T CA 0.230 62.275 62.100 -0.090 0.000 1.143 617 T CB 1.458 70.254 68.868 -0.121 0.000 1.003 617 T HN -0.093 nan 8.240 nan 0.000 0.540 618 V N 5.815 125.670 119.914 -0.098 0.000 2.407 618 V HA 0.468 4.586 4.120 -0.003 0.000 0.278 618 V C -0.207 175.817 176.094 -0.117 0.000 1.037 618 V CA -0.753 61.485 62.300 -0.104 0.000 0.900 618 V CB 0.372 32.135 31.823 -0.101 0.000 0.983 618 V HN 0.731 nan 8.190 nan 0.000 0.459 619 I N 7.234 127.720 120.570 -0.140 0.000 2.331 619 I HA 0.385 4.553 4.170 -0.003 0.000 0.292 619 I C -0.393 175.652 176.117 -0.120 0.000 0.998 619 I CA -0.516 60.692 61.300 -0.153 0.000 1.267 619 I CB 1.653 39.519 38.000 -0.224 0.000 1.386 619 I HN 0.297 nan 8.210 nan 0.000 0.476 620 V N 5.628 125.499 119.914 -0.070 0.000 2.398 620 V HA 0.309 4.427 4.120 -0.003 0.000 0.286 620 V C -0.226 175.868 176.094 0.001 0.000 1.026 620 V CA -0.678 61.592 62.300 -0.050 0.000 0.868 620 V CB 1.627 33.441 31.823 -0.014 0.000 0.982 620 V HN 0.712 nan 8.190 nan 0.000 0.443 621 N N 3.707 122.399 118.700 -0.012 0.000 2.392 621 N HA 0.410 5.148 4.740 -0.003 0.000 0.283 621 N C -0.774 174.765 175.510 0.048 0.000 1.003 621 N CA -0.458 52.647 53.050 0.092 0.000 0.892 621 N CB 1.505 40.125 38.487 0.222 0.000 1.193 621 N HN 0.703 nan 8.380 nan 0.000 0.487 622 Q N 1.744 121.613 119.800 0.115 0.000 2.347 622 Q HA 0.508 4.846 4.340 -0.003 0.000 0.262 622 Q C -1.017 175.005 176.000 0.037 0.000 0.980 622 Q CA -0.659 55.193 55.803 0.082 0.000 0.867 622 Q CB 1.314 30.202 28.738 0.250 0.000 1.242 622 Q HN 0.740 nan 8.270 nan 0.000 0.453 623 S N -0.387 115.185 115.700 -0.213 0.000 2.615 623 S HA 0.634 5.102 4.470 -0.003 0.000 0.269 623 S C 0.305 174.707 174.600 -0.330 0.000 1.161 623 S CA -0.494 57.559 58.200 -0.246 0.000 0.817 623 S CB 1.163 64.389 63.200 0.043 0.000 1.131 623 S HN 0.553 nan 8.310 nan 0.000 0.467 624 G N 0.158 108.899 108.800 -0.097 0.000 2.887 624 G HA2 0.456 4.414 3.960 -0.003 0.000 0.211 624 G HA3 0.456 4.414 3.960 -0.003 0.000 0.211 624 G C 0.358 175.483 174.900 0.375 0.000 1.152 624 G CA 0.633 45.881 45.100 0.246 0.000 0.769 624 G HN 1.324 nan 8.290 nan 0.000 0.541 625 T N -2.853 111.823 114.554 0.203 0.000 2.792 625 T HA 0.560 4.908 4.350 -0.003 0.000 0.303 625 T C -3.479 171.015 174.700 -0.343 0.000 1.310 625 T CA -1.727 60.396 62.100 0.039 0.000 1.007 625 T CB 2.138 71.016 68.868 0.017 0.000 1.335 625 T HN -0.217 nan 8.240 nan 0.000 0.504 626 P HA 0.350 nan 4.420 nan 0.000 0.268 626 P C -0.424 176.322 177.300 -0.924 0.000 1.205 626 P CA -0.408 61.725 63.100 -1.611 0.000 0.771 626 P CB 0.407 31.229 31.700 -1.463 0.000 0.858 627 V N -0.243 119.158 119.914 -0.855 0.000 2.919 627 V HA 0.518 4.636 4.120 -0.003 0.000 0.316 627 V C -0.109 175.618 176.094 -0.612 0.000 1.077 627 V CA -1.115 60.880 62.300 -0.508 0.000 0.977 627 V CB 1.907 33.563 31.823 -0.278 0.000 1.039 627 V HN 0.412 nan 8.190 nan 0.000 0.441 628 E N 1.377 121.312 120.200 -0.442 0.000 2.289 628 E HA 0.396 4.744 4.350 -0.003 0.000 0.278 628 E C -1.631 174.672 176.600 -0.496 0.000 1.032 628 E CA -0.574 55.601 56.400 -0.375 0.000 0.854 628 E CB 0.862 30.436 29.700 -0.211 0.000 1.046 628 E HN 0.631 nan 8.360 nan 0.000 0.409 629 F N 6.621 126.414 119.950 -0.261 0.000 2.310 629 F HA 0.276 4.801 4.527 -0.003 0.000 0.365 629 F C -1.604 173.638 175.800 -0.930 0.000 1.080 629 F CA -2.491 54.963 58.000 -0.910 0.000 1.187 629 F CB 1.189 39.613 39.000 -0.960 0.000 1.465 629 F HN 0.436 nan 8.300 nan 0.000 0.496 630 P HA -0.128 nan 4.420 nan 0.000 0.221 630 P C 1.205 178.393 177.300 -0.186 0.000 1.150 630 P CA 1.189 64.111 63.100 -0.297 0.000 0.800 630 P CB -0.016 31.600 31.700 -0.140 0.000 0.787 631 W N -0.932 120.438 121.300 0.117 0.000 3.405 631 W HA 0.262 4.920 4.660 -0.003 0.000 0.300 631 W C 0.945 177.508 176.519 0.074 0.000 1.286 631 W CA -0.710 56.679 57.345 0.073 0.000 1.762 631 W CB -1.195 28.296 29.460 0.053 0.000 1.087 631 W HN -0.153 nan 8.180 nan 0.000 0.703 632 L N 2.255 123.525 121.223 0.078 0.000 2.064 632 L HA -0.282 4.056 4.340 -0.003 0.000 0.216 632 L C 2.505 179.496 176.870 0.200 0.000 1.077 632 L CA 2.353 57.288 54.840 0.160 0.000 0.766 632 L CB -0.886 41.228 42.059 0.092 0.000 0.890 632 L HN -0.044 nan 8.230 nan 0.000 0.435 633 E N -0.562 119.721 120.200 0.139 0.000 2.118 633 E HA -0.213 4.135 4.350 -0.003 0.000 0.195 633 E C 1.491 178.155 176.600 0.107 0.000 0.992 633 E CA 1.606 58.062 56.400 0.094 0.000 0.804 633 E CB -0.078 29.653 29.700 0.052 0.000 0.741 633 E HN 0.587 nan 8.360 nan 0.000 0.458 634 D N -0.564 119.924 120.400 0.147 0.000 2.340 634 D HA 0.077 4.716 4.640 -0.003 0.000 0.220 634 D C -0.357 176.002 176.300 0.099 0.000 1.039 634 D CA 0.351 54.417 54.000 0.110 0.000 0.866 634 D CB 0.262 41.121 40.800 0.098 0.000 0.913 634 D HN 0.117 nan 8.370 nan 0.000 0.523 635 A N 0.735 123.653 122.820 0.163 0.000 2.279 635 A HA 0.291 4.609 4.320 -0.003 0.000 0.306 635 A C 0.750 178.369 177.584 0.057 0.000 1.300 635 A CA -0.519 51.581 52.037 0.104 0.000 0.925 635 A CB 0.045 19.191 19.000 0.243 0.000 1.152 635 A HN 0.009 nan 8.150 nan 0.000 0.544 636 N N 1.521 120.225 118.700 0.008 0.000 2.395 636 N HA 0.239 4.977 4.740 -0.003 0.000 0.175 636 N C 0.414 175.920 175.510 -0.008 0.000 1.029 636 N CA 0.857 53.911 53.050 0.007 0.000 0.897 636 N CB 0.288 38.772 38.487 -0.005 0.000 0.991 636 N HN 0.696 nan 8.380 nan 0.000 0.441 637 A N 0.812 123.610 122.820 -0.037 0.000 2.356 637 A HA 0.688 5.006 4.320 -0.003 0.000 0.310 637 A C -1.645 175.884 177.584 -0.092 0.000 1.075 637 A CA -0.402 51.601 52.037 -0.056 0.000 0.746 637 A CB 1.244 20.205 19.000 -0.065 0.000 1.221 637 A HN 0.101 nan 8.150 nan 0.000 0.443 638 L N 2.948 124.096 121.223 -0.124 0.000 2.516 638 L HA 0.686 5.024 4.340 -0.003 0.000 0.267 638 L C -1.634 175.080 176.870 -0.260 0.000 0.957 638 L CA -0.231 54.485 54.840 -0.208 0.000 0.860 638 L CB 2.061 43.970 42.059 -0.251 0.000 1.265 638 L HN 0.455 nan 8.230 nan 0.000 0.403 639 V N 4.014 123.780 119.914 -0.247 0.000 2.487 639 V HA 0.526 4.644 4.120 -0.003 0.000 0.298 639 V C -0.518 175.403 176.094 -0.289 0.000 1.028 639 V CA -0.575 61.581 62.300 -0.241 0.000 0.860 639 V CB 1.703 33.436 31.823 -0.150 0.000 0.991 639 V HN 0.783 nan 8.190 nan 0.000 0.427 640 Q N 3.532 123.100 119.800 -0.387 0.000 2.390 640 Q HA 0.601 4.940 4.340 -0.003 0.000 0.249 640 Q C 0.377 176.068 176.000 -0.514 0.000 0.996 640 Q CA 0.230 55.713 55.803 -0.532 0.000 0.899 640 Q CB 1.385 29.630 28.738 -0.823 0.000 1.216 640 Q HN 0.863 nan 8.270 nan 0.000 0.465 641 A N 3.961 126.584 122.820 -0.327 0.000 2.267 641 A HA 0.314 4.632 4.320 -0.003 0.000 0.213 641 A C -0.277 177.349 177.584 0.071 0.000 1.192 641 A CA 0.045 52.019 52.037 -0.105 0.000 0.851 641 A CB -0.507 18.496 19.000 0.005 0.000 0.881 641 A HN 0.928 nan 8.150 nan 0.000 0.494 642 W N -2.704 118.595 121.300 -0.001 0.000 2.801 642 W HA -0.303 4.355 4.660 -0.003 0.000 0.261 642 W C -0.461 175.992 176.519 -0.110 0.000 0.592 642 W CA 0.713 57.998 57.345 -0.100 0.000 0.632 642 W CB -1.262 28.198 29.460 -0.000 0.000 1.549 642 W HN 0.229 nan 8.180 nan 0.000 0.391 643 Y N 1.647 122.178 120.300 0.384 0.000 2.478 643 Y HA 0.517 5.066 4.550 -0.003 0.000 0.329 643 Y C 1.035 177.049 175.900 0.190 0.000 0.967 643 Y CA -0.960 57.267 58.100 0.212 0.000 1.255 643 Y CB 0.790 39.328 38.460 0.130 0.000 1.103 643 Y HN 0.497 nan 8.280 nan 0.000 0.497 644 G N 1.197 110.178 108.800 0.303 0.000 2.920 644 G HA2 0.383 4.341 3.960 -0.003 0.000 0.208 644 G HA3 0.383 4.341 3.960 -0.003 0.000 0.208 644 G C 0.904 175.891 174.900 0.144 0.000 1.159 644 G CA 0.413 45.641 45.100 0.215 0.000 0.784 644 G HN 1.073 nan 8.290 nan 0.000 0.535 645 G N 0.460 109.335 108.800 0.125 0.000 2.584 645 G HA2 -0.305 3.653 3.960 -0.003 0.000 0.229 645 G HA3 -0.305 3.653 3.960 -0.003 0.000 0.229 645 G C 0.763 175.653 174.900 -0.016 0.000 1.320 645 G CA 0.130 45.253 45.100 0.038 0.000 0.891 645 G HN 0.188 nan 8.290 nan 0.000 0.573 646 N N 0.757 119.387 118.700 -0.116 0.000 2.104 646 N HA -0.045 4.693 4.740 -0.003 0.000 0.190 646 N C 1.643 177.162 175.510 0.015 0.000 1.024 646 N CA 1.746 54.679 53.050 -0.195 0.000 0.853 646 N CB -0.050 38.158 38.487 -0.466 0.000 1.008 646 N HN 0.555 nan 8.380 nan 0.000 0.424 647 E N 0.457 120.693 120.200 0.060 0.000 2.437 647 E HA 0.068 4.416 4.350 -0.003 0.000 0.195 647 E C 1.517 178.185 176.600 0.113 0.000 1.029 647 E CA -0.189 56.295 56.400 0.141 0.000 0.948 647 E CB 0.076 29.839 29.700 0.105 0.000 1.082 647 E HN 0.364 nan 8.360 nan 0.000 0.456 648 L N -1.959 119.330 121.223 0.109 0.000 2.042 648 L HA 0.016 4.354 4.340 -0.003 0.000 0.210 648 L C 2.023 178.964 176.870 0.117 0.000 1.076 648 L CA 2.389 57.301 54.840 0.119 0.000 0.749 648 L CB -1.287 40.855 42.059 0.139 0.000 0.893 648 L HN 0.034 nan 8.230 nan 0.000 0.432 649 G N -0.301 108.570 108.800 0.119 0.000 2.402 649 G HA2 -0.237 3.721 3.960 -0.003 0.000 0.216 649 G HA3 -0.237 3.721 3.960 -0.003 0.000 0.216 649 G C 1.422 176.376 174.900 0.090 0.000 1.162 649 G CA 0.790 45.955 45.100 0.107 0.000 0.777 649 G HN 0.470 nan 8.290 nan 0.000 0.539 650 N N 1.295 120.046 118.700 0.085 0.000 2.166 650 N HA -0.063 4.675 4.740 -0.003 0.000 0.186 650 N C 2.498 178.055 175.510 0.078 0.000 1.019 650 N CA 1.221 54.312 53.050 0.069 0.000 0.856 650 N CB -0.471 38.052 38.487 0.060 0.000 0.993 650 N HN 0.305 nan 8.380 nan 0.000 0.426 651 A N 1.354 124.225 122.820 0.085 0.000 1.877 651 A HA -0.072 4.246 4.320 -0.003 0.000 0.216 651 A C 2.343 179.977 177.584 0.083 0.000 1.186 651 A CA 0.927 53.013 52.037 0.082 0.000 0.620 651 A CB -0.704 18.348 19.000 0.087 0.000 0.822 651 A HN 0.204 nan 8.150 nan 0.000 0.443 652 I N -0.191 120.432 120.570 0.088 0.000 2.208 652 I HA -0.318 3.850 4.170 -0.003 0.000 0.245 652 I C 2.995 179.172 176.117 0.100 0.000 1.097 652 I CA 1.079 62.427 61.300 0.079 0.000 1.363 652 I CB -0.376 37.673 38.000 0.082 0.000 1.051 652 I HN 0.376 nan 8.210 nan 0.000 0.413 653 A N 0.722 123.616 122.820 0.124 0.000 1.865 653 A HA -0.275 4.043 4.320 -0.003 0.000 0.217 653 A C 1.964 179.686 177.584 0.229 0.000 1.191 653 A CA 2.271 54.426 52.037 0.197 0.000 0.623 653 A CB -0.741 18.333 19.000 0.123 0.000 0.826 653 A HN 0.368 nan 8.150 nan 0.000 0.444 654 D N -0.401 120.086 120.400 0.145 0.000 2.133 654 D HA -0.132 4.507 4.640 -0.003 0.000 0.195 654 D C 1.975 178.359 176.300 0.140 0.000 0.997 654 D CA 1.613 55.694 54.000 0.136 0.000 0.840 654 D CB -0.507 40.348 40.800 0.092 0.000 0.947 654 D HN 0.232 nan 8.370 nan 0.000 0.452 655 V N 0.717 120.689 119.914 0.097 0.000 2.488 655 V HA -0.112 4.007 4.120 -0.003 0.000 0.246 655 V C 2.539 178.691 176.094 0.097 0.000 1.046 655 V CA 0.694 63.027 62.300 0.056 0.000 1.053 655 V CB -0.219 31.596 31.823 -0.015 0.000 0.679 655 V HN 0.196 nan 8.190 nan 0.000 0.458 656 L N -1.323 119.933 121.223 0.056 0.000 2.131 656 L HA -0.172 4.166 4.340 -0.003 0.000 0.210 656 L C 2.038 178.729 176.870 -0.298 0.000 1.092 656 L CA 1.791 56.566 54.840 -0.109 0.000 0.759 656 L CB -0.411 41.544 42.059 -0.174 0.000 0.903 656 L HN 0.382 nan 8.230 nan 0.000 0.435 657 Y N -0.750 119.589 120.300 0.065 0.000 2.457 657 Y HA 0.229 4.777 4.550 -0.003 0.000 0.263 657 Y C 1.739 177.691 175.900 0.087 0.000 1.164 657 Y CA 0.402 58.532 58.100 0.050 0.000 1.274 657 Y CB 0.442 38.925 38.460 0.038 0.000 1.097 657 Y HN 0.236 nan 8.280 nan 0.000 0.523 658 G N 0.048 108.991 108.800 0.239 0.000 2.162 658 G HA2 -0.328 3.630 3.960 -0.003 0.000 0.260 658 G HA3 -0.328 3.630 3.960 -0.003 0.000 0.260 658 G C 0.852 175.901 174.900 0.249 0.000 0.976 658 G CA 0.674 45.941 45.100 0.277 0.000 0.655 658 G HN 0.373 nan 8.290 nan 0.000 0.533 659 D N -0.497 120.030 120.400 0.211 0.000 2.219 659 D HA 0.047 4.685 4.640 -0.003 0.000 0.205 659 D C 1.262 177.641 176.300 0.132 0.000 0.970 659 D CA 1.327 55.424 54.000 0.161 0.000 0.851 659 D CB 0.265 41.142 40.800 0.127 0.000 0.943 659 D HN 0.381 nan 8.370 nan 0.000 0.488 660 V N 1.325 121.306 119.914 0.111 0.000 2.495 660 V HA 0.203 4.321 4.120 -0.003 0.000 0.298 660 V C 0.162 176.264 176.094 0.012 0.000 1.031 660 V CA -0.828 61.514 62.300 0.070 0.000 0.871 660 V CB 2.585 34.435 31.823 0.045 0.000 0.988 660 V HN -0.266 nan 8.190 nan 0.000 0.432 661 V N 7.384 127.288 119.914 -0.017 0.000 2.432 661 V HA 0.253 4.371 4.120 -0.003 0.000 0.271 661 V C -2.065 173.851 176.094 -0.298 0.000 1.046 661 V CA -1.679 60.499 62.300 -0.203 0.000 0.945 661 V CB 1.247 33.025 31.823 -0.075 0.000 0.992 661 V HN 0.757 nan 8.190 nan 0.000 0.471 662 P HA 0.093 nan 4.420 nan 0.000 0.265 662 P C -0.115 177.040 177.300 -0.242 0.000 1.193 662 P CA 0.213 63.091 63.100 -0.370 0.000 0.765 662 P CB 0.272 31.681 31.700 -0.486 0.000 0.823 663 N N 0.212 118.826 118.700 -0.142 0.000 2.082 663 N HA 0.162 4.900 4.740 -0.003 0.000 0.228 663 N C 0.565 176.018 175.510 -0.095 0.000 1.341 663 N CA -0.545 52.440 53.050 -0.108 0.000 0.873 663 N CB 0.141 38.599 38.487 -0.047 0.000 1.137 663 N HN 0.371 nan 8.380 nan 0.000 0.505 664 G N 0.448 109.210 108.800 -0.063 0.000 2.507 664 G HA2 0.485 4.443 3.960 -0.003 0.000 0.271 664 G HA3 0.485 4.443 3.960 -0.003 0.000 0.271 664 G C -0.555 174.300 174.900 -0.075 0.000 1.189 664 G CA -0.378 44.721 45.100 -0.002 0.000 0.859 664 G HN 0.022 nan 8.290 nan 0.000 0.542 665 K N 0.773 121.147 120.400 -0.044 0.000 2.426 665 K HA 0.300 4.618 4.320 -0.003 0.000 0.251 665 K C -0.383 176.272 176.600 0.092 0.000 0.941 665 K CA -0.838 55.353 56.287 -0.160 0.000 0.808 665 K CB 2.705 34.825 32.500 -0.633 0.000 1.265 665 K HN 0.336 nan 8.250 nan 0.000 0.432 666 L N 2.510 123.793 121.223 0.099 0.000 2.615 666 L HA -0.081 4.257 4.340 -0.003 0.000 0.271 666 L C 1.521 178.484 176.870 0.156 0.000 1.183 666 L CA 0.248 55.248 54.840 0.267 0.000 0.933 666 L CB 0.237 42.472 42.059 0.294 0.000 1.199 666 L HN 0.801 nan 8.230 nan 0.000 0.487 667 S N 3.948 119.784 115.700 0.225 0.000 2.561 667 S HA 0.139 4.607 4.470 -0.003 0.000 0.225 667 S C 0.398 175.266 174.600 0.446 0.000 0.977 667 S CA 0.069 58.359 58.200 0.151 0.000 0.926 667 S CB -0.090 63.104 63.200 -0.010 0.000 0.769 667 S HN 0.481 nan 8.310 nan 0.000 0.533 668 L N 1.108 122.629 121.223 0.497 0.000 2.388 668 L HA 0.476 4.814 4.340 -0.003 0.000 0.264 668 L C -0.383 176.822 176.870 0.558 0.000 0.998 668 L CA -0.806 54.350 54.840 0.527 0.000 0.817 668 L CB 2.176 44.483 42.059 0.415 0.000 1.338 668 L HN -0.055 nan 8.230 nan 0.000 0.414 669 S N 0.866 116.874 115.700 0.514 0.000 2.562 669 S HA 0.136 4.604 4.470 -0.003 0.000 0.281 669 S C -0.849 173.915 174.600 0.274 0.000 1.333 669 S CA -0.249 58.189 58.200 0.396 0.000 1.052 669 S CB 0.561 64.009 63.200 0.414 0.000 0.884 669 S HN 0.494 nan 8.310 nan 0.000 0.506 670 W N 6.184 127.473 121.300 -0.018 0.000 2.453 670 W HA 0.286 4.944 4.660 -0.003 0.000 0.298 670 W C -2.920 173.425 176.519 -0.290 0.000 0.983 670 W CA -2.460 54.844 57.345 -0.068 0.000 1.600 670 W CB 1.008 30.517 29.460 0.082 0.000 1.430 670 W HN 0.492 nan 8.180 nan 0.000 0.422 671 P HA 0.050 nan 4.420 nan 0.000 0.274 671 P C 0.795 177.972 177.300 -0.205 0.000 1.256 671 P CA 0.061 62.974 63.100 -0.313 0.000 0.795 671 P CB 1.108 32.714 31.700 -0.156 0.000 1.038 672 F N -0.364 119.517 119.950 -0.115 0.000 2.146 672 F HA -0.019 4.506 4.527 -0.003 0.000 0.298 672 F C 1.506 177.232 175.800 -0.123 0.000 1.096 672 F CA 1.788 59.725 58.000 -0.105 0.000 1.275 672 F CB -0.187 38.744 39.000 -0.116 0.000 1.008 672 F HN 0.087 nan 8.300 nan 0.000 0.480 673 K N -0.203 120.245 120.400 0.081 0.000 2.464 673 K HA 0.236 4.554 4.320 -0.003 0.000 0.253 673 K C 0.433 176.991 176.600 -0.070 0.000 0.933 673 K CA -0.666 55.606 56.287 -0.024 0.000 0.801 673 K CB 2.113 34.587 32.500 -0.043 0.000 1.271 673 K HN -0.127 nan 8.250 nan 0.000 0.430 674 L N 2.655 123.822 121.223 -0.094 0.000 2.021 674 L HA -0.281 4.057 4.340 -0.003 0.000 0.215 674 L C 1.557 178.316 176.870 -0.185 0.000 1.074 674 L CA 2.256 57.054 54.840 -0.071 0.000 0.760 674 L CB -0.291 41.777 42.059 0.015 0.000 0.889 674 L HN 0.628 nan 8.230 nan 0.000 0.433 675 Q N -0.586 118.940 119.800 -0.457 0.000 2.437 675 Q HA -0.120 4.218 4.340 -0.003 0.000 0.210 675 Q C 1.544 177.278 176.000 -0.442 0.000 0.972 675 Q CA 1.178 56.374 55.803 -1.012 0.000 0.903 675 Q CB -0.325 27.897 28.738 -0.860 0.000 0.967 675 Q HN 0.549 nan 8.270 nan 0.000 0.486 676 D N 0.342 120.663 120.400 -0.132 0.000 2.317 676 D HA -0.058 4.580 4.640 -0.003 0.000 0.211 676 D C 0.182 176.637 176.300 0.258 0.000 0.966 676 D CA 0.406 54.468 54.000 0.103 0.000 0.876 676 D CB -0.335 40.586 40.800 0.201 0.000 0.927 676 D HN 0.445 nan 8.370 nan 0.000 0.519 677 N N 1.091 119.877 118.700 0.142 0.000 2.503 677 N HA 0.052 4.791 4.740 -0.003 0.000 0.267 677 N C -1.832 173.573 175.510 -0.175 0.000 1.214 677 N CA -1.058 52.047 53.050 0.092 0.000 0.959 677 N CB 1.368 39.890 38.487 0.058 0.000 1.142 677 N HN -0.260 nan 8.380 nan 0.000 0.455 678 P HA -0.078 nan 4.420 nan 0.000 0.221 678 P C 0.251 177.316 177.300 -0.391 0.000 1.150 678 P CA 1.147 63.587 63.100 -1.100 0.000 0.800 678 P CB -0.015 30.836 31.700 -1.415 0.000 0.787 679 A N -1.819 120.875 122.820 -0.210 0.000 2.415 679 A HA 0.167 4.485 4.320 -0.003 0.000 0.248 679 A C 1.445 179.055 177.584 0.044 0.000 1.299 679 A CA -0.545 51.458 52.037 -0.057 0.000 0.899 679 A CB -1.462 17.533 19.000 -0.010 0.000 0.997 679 A HN 0.002 nan 8.150 nan 0.000 0.506 680 F N 0.635 120.530 119.950 -0.092 0.000 2.095 680 F HA -0.173 4.352 4.527 -0.003 0.000 0.298 680 F C 1.549 177.354 175.800 0.008 0.000 1.104 680 F CA 1.979 59.954 58.000 -0.043 0.000 1.232 680 F CB -0.110 38.874 39.000 -0.027 0.000 0.987 680 F HN 0.236 nan 8.300 nan 0.000 0.475 681 L N -0.367 120.818 121.223 -0.062 0.000 2.418 681 L HA -0.028 4.310 4.340 -0.003 0.000 0.218 681 L C 0.338 177.146 176.870 -0.103 0.000 1.125 681 L CA 0.530 55.270 54.840 -0.166 0.000 0.835 681 L CB -0.410 41.645 42.059 -0.006 0.000 0.953 681 L HN 0.085 nan 8.230 nan 0.000 0.454 682 N N -0.536 118.147 118.700 -0.028 0.000 2.696 682 N HA 0.157 4.895 4.740 -0.003 0.000 0.308 682 N C -0.826 174.712 175.510 0.045 0.000 1.915 682 N CA -0.025 53.025 53.050 -0.001 0.000 0.906 682 N CB 0.953 39.449 38.487 0.016 0.000 1.284 682 N HN 0.040 nan 8.380 nan 0.000 0.488 683 F N 1.008 120.883 119.950 -0.125 0.000 2.749 683 F HA 0.354 4.879 4.527 -0.003 0.000 0.380 683 F C -0.182 175.568 175.800 -0.083 0.000 1.365 683 F CA -0.432 57.505 58.000 -0.105 0.000 1.186 683 F CB 0.471 39.414 39.000 -0.095 0.000 1.080 683 F HN -0.181 nan 8.300 nan 0.000 0.513 684 K N 0.014 120.321 120.400 -0.156 0.000 2.527 684 K HA 0.416 4.734 4.320 -0.003 0.000 0.260 684 K C -0.800 175.708 176.600 -0.154 0.000 0.937 684 K CA -0.569 55.632 56.287 -0.143 0.000 0.826 684 K CB 1.893 34.331 32.500 -0.103 0.000 1.359 684 K HN -0.058 nan 8.250 nan 0.000 0.434 685 T N 2.778 117.249 114.554 -0.139 0.000 2.738 685 T HA 0.117 4.465 4.350 -0.003 0.000 0.293 685 T C -0.760 173.852 174.700 -0.146 0.000 0.913 685 T CA 0.133 62.164 62.100 -0.115 0.000 1.103 685 T CB 0.396 69.214 68.868 -0.083 0.000 0.880 685 T HN 0.470 nan 8.240 nan 0.000 0.526 686 E N 2.618 122.722 120.200 -0.160 0.000 2.176 686 E HA 0.442 4.790 4.350 -0.003 0.000 0.267 686 E C -0.448 175.996 176.600 -0.260 0.000 0.893 686 E CA -0.825 55.372 56.400 -0.338 0.000 0.761 686 E CB 0.267 29.770 29.700 -0.328 0.000 1.133 686 E HN 0.487 nan 8.360 nan 0.000 0.409 687 F N 3.316 123.248 119.950 -0.029 0.000 3.100 687 F HA -0.231 4.293 4.527 -0.003 0.000 0.283 687 F C 1.285 177.062 175.800 -0.038 0.000 0.900 687 F CA 1.218 59.201 58.000 -0.029 0.000 1.010 687 F CB -1.870 37.112 39.000 -0.029 0.000 1.029 687 F HN 0.811 nan 8.300 nan 0.000 0.637 688 G N -0.706 108.118 108.800 0.039 0.000 2.162 688 G HA2 -0.249 3.709 3.960 -0.003 0.000 0.260 688 G HA3 -0.249 3.709 3.960 -0.003 0.000 0.260 688 G C 0.179 175.070 174.900 -0.015 0.000 0.976 688 G CA 0.556 45.660 45.100 0.006 0.000 0.655 688 G HN 0.935 nan 8.290 nan 0.000 0.533 689 R N -1.445 119.057 120.500 0.002 0.000 2.867 689 R HA 0.845 5.183 4.340 -0.003 0.000 0.268 689 R C -1.006 175.284 176.300 -0.016 0.000 1.014 689 R CA -1.256 54.836 56.100 -0.013 0.000 0.946 689 R CB 1.486 31.789 30.300 0.004 0.000 1.208 689 R HN 0.472 nan 8.270 nan 0.000 0.477 690 V N 2.351 122.261 119.914 -0.007 0.000 2.447 690 V HA 0.431 4.550 4.120 -0.003 0.000 0.292 690 V C -0.441 175.725 176.094 0.119 0.000 1.021 690 V CA -0.649 61.672 62.300 0.035 0.000 0.850 690 V CB 1.440 33.290 31.823 0.045 0.000 1.005 690 V HN 0.664 nan 8.190 nan 0.000 0.426 691 I N 4.696 125.329 120.570 0.106 0.000 2.342 691 I HA 0.289 4.457 4.170 -0.003 0.000 0.291 691 I C -0.526 175.729 176.117 0.230 0.000 1.010 691 I CA -0.438 60.937 61.300 0.125 0.000 1.308 691 I CB 0.943 38.988 38.000 0.074 0.000 1.400 691 I HN 0.523 nan 8.210 nan 0.000 0.488 692 Y N 5.679 125.955 120.300 -0.041 0.000 2.767 692 Y HA 0.209 4.757 4.550 -0.003 0.000 0.354 692 Y C 1.505 177.420 175.900 0.025 0.000 1.292 692 Y CA -0.964 57.125 58.100 -0.017 0.000 1.749 692 Y CB 0.199 38.622 38.460 -0.062 0.000 1.841 692 Y HN 0.696 nan 8.280 nan 0.000 0.454 693 G N 0.768 109.650 108.800 0.136 0.000 2.443 693 G HA2 -0.211 3.748 3.960 -0.003 0.000 0.219 693 G HA3 -0.211 3.748 3.960 -0.003 0.000 0.219 693 G C 1.562 176.537 174.900 0.125 0.000 1.131 693 G CA 0.582 45.749 45.100 0.112 0.000 0.775 693 G HN 0.532 nan 8.290 nan 0.000 0.547 694 E N 0.972 121.232 120.200 0.100 0.000 2.338 694 E HA -0.050 4.298 4.350 -0.003 0.000 0.197 694 E C 0.942 177.688 176.600 0.243 0.000 1.007 694 E CA 1.198 57.678 56.400 0.133 0.000 0.849 694 E CB -0.223 29.454 29.700 -0.037 0.000 0.774 694 E HN 0.309 nan 8.360 nan 0.000 0.506 695 D N 0.699 121.223 120.400 0.207 0.000 3.685 695 D HA -0.317 4.321 4.640 -0.003 0.000 0.152 695 D C 1.268 177.637 176.300 0.114 0.000 0.966 695 D CA 3.001 57.113 54.000 0.187 0.000 1.085 695 D CB -1.423 39.485 40.800 0.181 0.000 0.521 695 D HN 0.325 nan 8.370 nan 0.000 0.543 696 I N -2.015 118.504 120.570 -0.084 0.000 3.001 696 I HA 0.110 4.278 4.170 -0.003 0.000 0.268 696 I C 0.745 176.657 176.117 -0.342 0.000 1.267 696 I CA 0.557 61.693 61.300 -0.274 0.000 1.472 696 I CB -0.422 37.306 38.000 -0.452 0.000 1.089 696 I HN 0.040 nan 8.210 nan 0.000 0.468 697 F N 2.819 122.805 119.950 0.060 0.000 2.605 697 F HA 0.408 4.933 4.527 -0.003 0.000 0.352 697 F C 0.076 175.871 175.800 -0.008 0.000 1.236 697 F CA -0.292 57.746 58.000 0.063 0.000 1.267 697 F CB -0.003 39.105 39.000 0.181 0.000 1.632 697 F HN -0.201 nan 8.300 nan 0.000 0.639 698 V N 1.614 121.539 119.914 0.017 0.000 2.581 698 V HA 0.805 4.923 4.120 -0.003 0.000 0.303 698 V C 0.733 176.777 176.094 -0.082 0.000 1.041 698 V CA -0.168 62.096 62.300 -0.060 0.000 0.907 698 V CB 1.140 32.911 31.823 -0.086 0.000 0.994 698 V HN 0.880 nan 8.190 nan 0.000 0.442 699 G N 4.122 112.911 108.800 -0.018 0.000 2.574 699 G HA2 -0.377 3.581 3.960 -0.003 0.000 0.286 699 G HA3 -0.377 3.581 3.960 -0.003 0.000 0.286 699 G C 0.560 175.602 174.900 0.237 0.000 1.212 699 G CA 1.287 46.479 45.100 0.153 0.000 0.979 699 G HN 1.491 nan 8.290 nan 0.000 0.557 700 Y N 0.875 121.343 120.300 0.280 0.000 2.352 700 Y HA 0.137 4.685 4.550 -0.003 0.000 0.292 700 Y C 2.863 178.897 175.900 0.224 0.000 1.136 700 Y CA 1.632 59.919 58.100 0.312 0.000 1.227 700 Y CB -0.549 38.051 38.460 0.234 0.000 0.991 700 Y HN 0.468 nan 8.280 nan 0.000 0.545 701 R N -0.720 119.537 120.500 -0.405 0.000 2.127 701 R HA -0.211 4.127 4.340 -0.003 0.000 0.238 701 R C 1.880 178.320 176.300 0.234 0.000 1.134 701 R CA 1.996 58.056 56.100 -0.065 0.000 0.975 701 R CB -0.677 29.537 30.300 -0.142 0.000 0.865 701 R HN 0.533 nan 8.270 nan 0.000 0.447 702 Y N -0.079 120.227 120.300 0.010 0.000 2.177 702 Y HA -0.151 4.397 4.550 -0.003 0.000 0.291 702 Y C 1.772 177.593 175.900 -0.132 0.000 1.117 702 Y CA 1.063 59.110 58.100 -0.089 0.000 1.114 702 Y CB -0.414 37.865 38.460 -0.302 0.000 1.017 702 Y HN -0.096 nan 8.280 nan 0.000 0.505 703 Y N 1.084 121.445 120.300 0.101 0.000 2.207 703 Y HA -0.219 4.329 4.550 -0.003 0.000 0.287 703 Y C 2.421 178.293 175.900 -0.047 0.000 1.156 703 Y CA 1.971 60.065 58.100 -0.010 0.000 1.182 703 Y CB -0.658 37.874 38.460 0.121 0.000 0.979 703 Y HN 0.261 nan 8.280 nan 0.000 0.521 704 E N -0.253 120.053 120.200 0.177 0.000 2.107 704 E HA -0.190 4.158 4.350 -0.003 0.000 0.191 704 E C 2.022 178.630 176.600 0.014 0.000 0.982 704 E CA 0.974 57.441 56.400 0.112 0.000 0.809 704 E CB -0.074 29.730 29.700 0.173 0.000 0.756 704 E HN 0.198 nan 8.360 nan 0.000 0.459 705 K N 0.630 121.002 120.400 -0.047 0.000 2.148 705 K HA -0.092 4.226 4.320 -0.003 0.000 0.204 705 K C 1.525 177.989 176.600 -0.227 0.000 1.050 705 K CA 0.672 56.873 56.287 -0.143 0.000 0.942 705 K CB 0.099 32.441 32.500 -0.264 0.000 0.724 705 K HN -0.021 nan 8.250 nan 0.000 0.446 706 L N 1.249 122.288 121.223 -0.306 0.000 2.558 706 L HA 0.150 4.488 4.340 -0.003 0.000 0.225 706 L C -0.017 176.770 176.870 -0.139 0.000 1.128 706 L CA 0.786 55.456 54.840 -0.283 0.000 0.868 706 L CB -0.360 41.434 42.059 -0.442 0.000 1.006 706 L HN 0.241 nan 8.230 nan 0.000 0.454 707 Q N 0.107 119.859 119.800 -0.079 0.000 2.451 707 Q HA -0.273 4.065 4.340 -0.003 0.000 0.305 707 Q C 0.270 176.268 176.000 -0.004 0.000 1.345 707 Q CA 0.551 56.338 55.803 -0.026 0.000 0.854 707 Q CB -1.398 27.322 28.738 -0.031 0.000 1.162 707 Q HN 0.412 nan 8.270 nan 0.000 0.440 708 R N 1.250 121.767 120.500 0.028 0.000 2.207 708 R HA 0.331 4.669 4.340 -0.003 0.000 0.334 708 R C -0.660 175.702 176.300 0.103 0.000 1.013 708 R CA -0.462 55.687 56.100 0.082 0.000 0.858 708 R CB 0.768 31.153 30.300 0.142 0.000 1.094 708 R HN -0.053 nan 8.270 nan 0.000 0.457 709 K N 2.923 123.374 120.400 0.085 0.000 2.382 709 K HA 0.177 4.495 4.320 -0.003 0.000 0.275 709 K C -0.231 176.386 176.600 0.028 0.000 1.009 709 K CA -0.241 56.092 56.287 0.076 0.000 0.970 709 K CB 0.987 33.577 32.500 0.151 0.000 0.934 709 K HN 0.518 nan 8.250 nan 0.000 0.479 710 V N -0.947 118.812 119.914 -0.259 0.000 3.019 710 V HA 0.592 4.710 4.120 -0.003 0.000 0.317 710 V C 0.951 176.296 176.094 -1.249 0.000 1.094 710 V CA -0.542 61.359 62.300 -0.665 0.000 1.000 710 V CB 1.465 32.934 31.823 -0.590 0.000 1.060 710 V HN 0.792 nan 8.190 nan 0.000 0.443 711 A N 1.123 122.922 122.820 -1.701 0.000 1.883 711 A HA 0.217 4.535 4.320 -0.003 0.000 0.217 711 A C 0.633 177.276 177.584 -1.569 0.000 1.186 711 A CA 1.733 52.773 52.037 -1.661 0.000 0.624 711 A CB -0.629 17.815 19.000 -0.926 0.000 0.822 711 A HN 0.917 nan 8.150 nan 0.000 0.444 712 F N -1.437 118.274 119.950 -0.399 0.000 2.596 712 F HA 0.510 5.035 4.527 -0.003 0.000 0.311 712 F C -2.788 172.910 175.800 -0.170 0.000 1.116 712 F CA -2.422 55.352 58.000 -0.378 0.000 0.957 712 F CB 2.166 40.969 39.000 -0.328 0.000 1.250 712 F HN -0.095 nan 8.300 nan 0.000 0.444 713 P HA 0.282 nan 4.420 nan 0.000 0.285 713 P C -0.726 176.743 177.300 0.282 0.000 1.280 713 P CA -0.518 62.656 63.100 0.124 0.000 0.862 713 P CB 1.466 33.198 31.700 0.053 0.000 1.153 714 F N 1.320 121.396 119.950 0.211 0.000 2.629 714 F HA 0.285 4.810 4.527 -0.003 0.000 0.377 714 F C 1.467 177.373 175.800 0.175 0.000 1.101 714 F CA 2.255 60.403 58.000 0.247 0.000 1.301 714 F CB -0.309 38.846 39.000 0.258 0.000 1.062 714 F HN 0.747 nan 8.300 nan 0.000 0.583 715 G N 3.580 112.044 108.800 -0.561 0.000 2.176 715 G HA2 -0.342 3.616 3.960 -0.003 0.000 0.253 715 G HA3 -0.342 3.616 3.960 -0.003 0.000 0.253 715 G C -0.399 174.356 174.900 -0.242 0.000 0.979 715 G CA 0.092 44.877 45.100 -0.525 0.000 0.641 715 G HN 0.930 nan 8.290 nan 0.000 0.530 716 Y N 1.217 121.408 120.300 -0.182 0.000 2.310 716 Y HA 0.557 5.105 4.550 -0.003 0.000 0.326 716 Y C 0.581 176.388 175.900 -0.154 0.000 1.151 716 Y CA 0.521 58.550 58.100 -0.119 0.000 1.195 716 Y CB 1.739 40.197 38.460 -0.003 0.000 1.210 716 Y HN 0.709 nan 8.280 nan 0.000 0.483 717 G N 5.424 113.839 108.800 -0.642 0.000 2.596 717 G HA2 0.402 4.360 3.960 -0.003 0.000 0.296 717 G HA3 0.402 4.360 3.960 -0.003 0.000 0.296 717 G C -2.152 172.380 174.900 -0.613 0.000 1.513 717 G CA -0.974 43.802 45.100 -0.540 0.000 0.851 717 G HN 0.761 nan 8.290 nan 0.000 0.548 718 L N 0.549 121.489 121.223 -0.472 0.000 2.416 718 L HA 0.848 5.186 4.340 -0.003 0.000 0.263 718 L C 0.828 177.555 176.870 -0.238 0.000 1.065 718 L CA -0.811 53.836 54.840 -0.322 0.000 0.798 718 L CB 1.848 43.771 42.059 -0.227 0.000 1.267 718 L HN 0.608 nan 8.230 nan 0.000 0.467 719 S N -1.832 113.782 115.700 -0.145 0.000 2.740 719 S HA 0.440 4.908 4.470 -0.003 0.000 0.300 719 S C -0.221 174.308 174.600 -0.120 0.000 1.147 719 S CA -0.485 57.623 58.200 -0.153 0.000 0.871 719 S CB 0.907 64.185 63.200 0.131 0.000 1.173 719 S HN 0.390 nan 8.310 nan 0.000 0.510 720 Y N 0.876 121.050 120.300 -0.209 0.000 2.466 720 Y HA 0.364 4.912 4.550 -0.003 0.000 0.272 720 Y C 1.354 177.164 175.900 -0.150 0.000 1.169 720 Y CA -0.030 57.870 58.100 -0.332 0.000 1.285 720 Y CB -0.226 37.703 38.460 -0.885 0.000 1.078 720 Y HN 0.543 nan 8.280 nan 0.000 0.523 721 T N -0.641 113.908 114.554 -0.009 0.000 2.864 721 T HA 0.584 4.933 4.350 -0.003 0.000 0.289 721 T C -0.292 174.222 174.700 -0.310 0.000 1.082 721 T CA -0.469 61.552 62.100 -0.131 0.000 1.009 721 T CB 1.390 70.126 68.868 -0.220 0.000 1.234 721 T HN 0.058 nan 8.240 nan 0.000 0.526 722 T N 0.309 114.619 114.554 -0.408 0.000 2.940 722 T HA 0.823 5.172 4.350 -0.003 0.000 0.288 722 T C -1.086 173.293 174.700 -0.535 0.000 1.033 722 T CA -0.601 61.322 62.100 -0.295 0.000 1.033 722 T CB 0.967 69.763 68.868 -0.121 0.000 1.079 722 T HN 0.420 nan 8.240 nan 0.000 0.496 723 F N -0.152 119.779 119.950 -0.032 0.000 2.613 723 F HA 0.636 5.161 4.527 -0.003 0.000 0.314 723 F C 0.025 175.809 175.800 -0.028 0.000 1.075 723 F CA -0.982 56.998 58.000 -0.033 0.000 0.945 723 F CB 2.308 41.279 39.000 -0.048 0.000 1.310 723 F HN 0.871 nan 8.300 nan 0.000 0.467 724 E N 1.308 121.620 120.200 0.187 0.000 2.393 724 E HA 0.797 5.146 4.350 -0.003 0.000 0.273 724 E C -1.930 174.718 176.600 0.080 0.000 0.918 724 E CA -1.201 55.260 56.400 0.102 0.000 0.773 724 E CB 2.874 32.608 29.700 0.056 0.000 1.275 724 E HN 0.489 nan 8.360 nan 0.000 0.451 725 L N -1.797 119.453 121.223 0.044 0.000 2.409 725 L HA 0.769 5.107 4.340 -0.003 0.000 0.255 725 L C -1.302 175.575 176.870 0.013 0.000 1.027 725 L CA -0.617 54.238 54.840 0.025 0.000 0.834 725 L CB 2.177 44.239 42.059 0.005 0.000 1.426 725 L HN 0.579 nan 8.230 nan 0.000 0.411 726 D N 0.894 121.298 120.400 0.007 0.000 2.753 726 D HA 0.464 5.102 4.640 -0.003 0.000 0.224 726 D C -0.925 175.373 176.300 -0.005 0.000 1.213 726 D CA -0.244 53.757 54.000 0.000 0.000 0.833 726 D CB 2.942 43.746 40.800 0.007 0.000 1.607 726 D HN 0.606 nan 8.370 nan 0.000 0.463 727 I N 1.945 122.505 120.570 -0.017 0.000 2.494 727 I HA -0.073 4.095 4.170 -0.003 0.000 0.289 727 I C 1.791 177.915 176.117 0.012 0.000 1.106 727 I CA 0.336 61.627 61.300 -0.015 0.000 1.369 727 I CB 0.509 38.474 38.000 -0.058 0.000 1.410 727 I HN 0.325 nan 8.210 nan 0.000 0.523 728 S N 2.988 118.702 115.700 0.023 0.000 2.486 728 S HA 0.138 4.606 4.470 -0.003 0.000 0.220 728 S C 0.447 175.073 174.600 0.044 0.000 1.011 728 S CA -0.082 58.136 58.200 0.029 0.000 0.921 728 S CB 0.357 63.570 63.200 0.022 0.000 0.785 728 S HN 0.633 nan 8.310 nan 0.000 0.517 729 D N -0.423 120.015 120.400 0.063 0.000 2.753 729 D HA 0.559 5.197 4.640 -0.003 0.000 0.224 729 D C -2.272 174.138 176.300 0.183 0.000 1.213 729 D CA -0.485 53.569 54.000 0.090 0.000 0.833 729 D CB 2.208 43.038 40.800 0.050 0.000 1.607 729 D HN 0.141 nan 8.370 nan 0.000 0.463 730 F N 3.029 122.963 119.950 -0.027 0.000 2.730 730 F HA 0.354 4.879 4.527 -0.003 0.000 0.335 730 F C -1.298 174.472 175.800 -0.050 0.000 1.212 730 F CA -0.724 57.249 58.000 -0.044 0.000 1.016 730 F CB 1.003 39.982 39.000 -0.035 0.000 1.290 730 F HN 0.198 nan 8.300 nan 0.000 0.495 731 K N 4.891 124.985 120.400 -0.511 0.000 2.443 731 K HA 0.724 5.042 4.320 -0.003 0.000 0.252 731 K C -2.335 173.880 176.600 -0.642 0.000 0.933 731 K CA -0.941 55.030 56.287 -0.526 0.000 0.792 731 K CB 2.289 34.647 32.500 -0.237 0.000 1.185 731 K HN 0.376 nan 8.250 nan 0.000 0.425 732 V N 4.461 124.017 119.914 -0.597 0.000 2.294 732 V HA 0.256 4.374 4.120 -0.003 0.000 0.272 732 V C -0.710 175.248 176.094 -0.227 0.000 1.027 732 V CA -0.176 61.858 62.300 -0.444 0.000 0.823 732 V CB 0.916 32.452 31.823 -0.477 0.000 1.030 732 V HN 1.014 nan 8.190 nan 0.000 0.457 733 T N 5.093 119.534 114.554 -0.189 0.000 2.932 733 T HA 0.023 4.371 4.350 -0.003 0.000 0.312 733 T C 0.028 174.667 174.700 -0.101 0.000 1.071 733 T CA 0.264 62.292 62.100 -0.121 0.000 1.128 733 T CB 0.360 69.161 68.868 -0.112 0.000 0.984 733 T HN 0.771 nan 8.240 nan 0.000 0.549 734 D N 1.509 121.869 120.400 -0.066 0.000 2.390 734 D HA 0.095 4.733 4.640 -0.003 0.000 0.249 734 D C 0.909 177.165 176.300 -0.073 0.000 1.144 734 D CA 0.348 54.317 54.000 -0.051 0.000 0.880 734 D CB 0.450 41.234 40.800 -0.027 0.000 1.182 734 D HN 0.835 nan 8.370 nan 0.000 0.451 735 D N 1.259 121.606 120.400 -0.090 0.000 2.839 735 D HA -0.174 4.464 4.640 -0.003 0.000 0.194 735 D C -0.728 175.489 176.300 -0.139 0.000 0.988 735 D CA 0.885 54.813 54.000 -0.120 0.000 1.009 735 D CB -0.464 40.273 40.800 -0.104 0.000 1.067 735 D HN 0.208 nan 8.370 nan 0.000 0.444 736 K N 0.240 120.556 120.400 -0.140 0.000 2.523 736 K HA 0.659 4.977 4.320 -0.003 0.000 0.257 736 K C -1.430 175.055 176.600 -0.191 0.000 0.932 736 K CA -0.734 55.461 56.287 -0.153 0.000 0.812 736 K CB 1.550 33.973 32.500 -0.129 0.000 1.326 736 K HN 0.249 nan 8.250 nan 0.000 0.433 737 I N 2.164 122.623 120.570 -0.185 0.000 2.447 737 I HA 0.437 4.605 4.170 -0.003 0.000 0.287 737 I C -0.475 175.566 176.117 -0.126 0.000 1.023 737 I CA -0.883 60.290 61.300 -0.212 0.000 1.083 737 I CB 2.054 39.958 38.000 -0.160 0.000 1.245 737 I HN 0.585 nan 8.210 nan 0.000 0.434 738 A N 8.165 130.886 122.820 -0.165 0.000 2.303 738 A HA 0.902 5.220 4.320 -0.003 0.000 0.320 738 A C -0.708 176.894 177.584 0.032 0.000 1.192 738 A CA -0.383 51.610 52.037 -0.073 0.000 0.821 738 A CB 0.588 19.529 19.000 -0.098 0.000 1.188 738 A HN 0.667 nan 8.150 nan 0.000 0.492 739 I N 1.519 122.147 120.570 0.098 0.000 2.533 739 I HA 0.396 4.564 4.170 -0.003 0.000 0.290 739 I C -0.183 175.978 176.117 0.074 0.000 1.056 739 I CA -0.319 61.082 61.300 0.168 0.000 1.057 739 I CB 2.522 40.618 38.000 0.161 0.000 1.240 739 I HN 0.501 nan 8.210 nan 0.000 0.423 740 S N 4.189 119.930 115.700 0.069 0.000 2.532 740 S HA 0.765 5.233 4.470 -0.003 0.000 0.301 740 S C -0.649 173.966 174.600 0.025 0.000 1.083 740 S CA -0.673 57.547 58.200 0.034 0.000 1.025 740 S CB 2.497 65.714 63.200 0.028 0.000 1.056 740 S HN 0.318 nan 8.310 nan 0.000 0.494 741 V N 2.617 122.539 119.914 0.012 0.000 2.623 741 V HA 0.376 4.494 4.120 -0.003 0.000 0.304 741 V C -1.207 174.891 176.094 0.007 0.000 1.054 741 V CA -0.913 61.389 62.300 0.004 0.000 0.882 741 V CB 2.130 33.949 31.823 -0.006 0.000 1.002 741 V HN 0.752 nan 8.190 nan 0.000 0.424 742 D N 3.009 123.415 120.400 0.010 0.000 2.210 742 D HA 0.646 5.284 4.640 -0.003 0.000 0.249 742 D C -0.503 175.809 176.300 0.020 0.000 1.078 742 D CA 0.066 54.076 54.000 0.016 0.000 0.875 742 D CB 2.133 42.944 40.800 0.018 0.000 1.175 742 D HN 0.280 nan 8.370 nan 0.000 0.440 743 V N 2.102 122.034 119.914 0.030 0.000 2.709 743 V HA 0.477 4.595 4.120 -0.003 0.000 0.308 743 V C -0.257 175.886 176.094 0.083 0.000 1.062 743 V CA -0.907 61.421 62.300 0.048 0.000 0.901 743 V CB 2.329 34.163 31.823 0.018 0.000 1.003 743 V HN 0.368 nan 8.190 nan 0.000 0.425 744 K N 2.766 123.240 120.400 0.124 0.000 2.482 744 K HA 0.430 4.748 4.320 -0.003 0.000 0.251 744 K C -0.855 175.831 176.600 0.142 0.000 0.936 744 K CA -0.698 55.653 56.287 0.107 0.000 0.791 744 K CB 1.590 34.121 32.500 0.053 0.000 1.213 744 K HN 0.689 nan 8.250 nan 0.000 0.428 745 N N 2.546 121.291 118.700 0.075 0.000 2.399 745 N HA -0.000 4.738 4.740 -0.003 0.000 0.259 745 N C -0.015 175.406 175.510 -0.148 0.000 1.160 745 N CA 0.150 53.108 53.050 -0.155 0.000 0.946 745 N CB 1.019 39.405 38.487 -0.169 0.000 1.156 745 N HN 0.666 nan 8.380 nan 0.000 0.489 746 T N -0.021 114.428 114.554 -0.176 0.000 3.206 746 T HA 0.331 4.679 4.350 -0.003 0.000 0.253 746 T C 0.842 175.476 174.700 -0.111 0.000 1.042 746 T CA -0.530 61.507 62.100 -0.105 0.000 0.931 746 T CB -0.056 68.772 68.868 -0.068 0.000 1.029 746 T HN 0.309 nan 8.240 nan 0.000 0.564 747 G N 0.974 109.684 108.800 -0.150 0.000 2.601 747 G HA2 0.536 4.494 3.960 -0.003 0.000 0.317 747 G HA3 0.536 4.494 3.960 -0.003 0.000 0.317 747 G C -0.479 174.366 174.900 -0.091 0.000 1.246 747 G CA -0.762 44.273 45.100 -0.109 0.000 1.012 747 G HN 0.357 nan 8.290 nan 0.000 0.494 748 D N -2.127 118.225 120.400 -0.081 0.000 2.520 748 D HA 0.126 4.764 4.640 -0.003 0.000 0.223 748 D C 1.129 177.350 176.300 -0.133 0.000 1.186 748 D CA -0.209 53.737 54.000 -0.090 0.000 0.821 748 D CB 1.009 41.763 40.800 -0.076 0.000 1.072 748 D HN 0.395 nan 8.370 nan 0.000 0.518 749 K N -0.526 119.765 120.400 -0.182 0.000 2.286 749 K HA 0.243 4.561 4.320 -0.003 0.000 0.203 749 K C -0.622 175.700 176.600 -0.463 0.000 1.078 749 K CA 0.219 56.266 56.287 -0.401 0.000 0.957 749 K CB 0.442 32.577 32.500 -0.609 0.000 1.018 749 K HN -0.057 nan 8.250 nan 0.000 0.484 750 F N 1.310 121.237 119.950 -0.038 0.000 2.444 750 F HA 0.466 4.991 4.527 -0.003 0.000 0.342 750 F C 0.111 175.879 175.800 -0.054 0.000 1.121 750 F CA -1.251 56.742 58.000 -0.012 0.000 0.997 750 F CB 1.542 40.564 39.000 0.036 0.000 1.130 750 F HN 0.007 nan 8.300 nan 0.000 0.454 751 A N 2.114 125.025 122.820 0.152 0.000 2.386 751 A HA 0.742 5.061 4.320 -0.003 0.000 0.248 751 A C 0.418 178.014 177.584 0.019 0.000 1.082 751 A CA 0.549 52.599 52.037 0.023 0.000 0.789 751 A CB -0.004 19.031 19.000 0.058 0.000 1.025 751 A HN 1.069 nan 8.150 nan 0.000 0.490 752 G N -0.647 108.090 108.800 -0.106 0.000 2.506 752 G HA2 0.510 4.468 3.960 -0.003 0.000 0.292 752 G HA3 0.510 4.468 3.960 -0.003 0.000 0.292 752 G C -1.040 173.922 174.900 0.103 0.000 1.425 752 G CA -0.353 44.773 45.100 0.044 0.000 0.788 752 G HN 0.895 nan 8.290 nan 0.000 0.490 753 S N -0.183 115.583 115.700 0.109 0.000 2.489 753 S HA 0.656 5.124 4.470 -0.003 0.000 0.291 753 S C -0.453 173.954 174.600 -0.323 0.000 1.151 753 S CA -0.436 57.748 58.200 -0.027 0.000 1.082 753 S CB 1.841 65.064 63.200 0.037 0.000 1.019 753 S HN 0.676 nan 8.310 nan 0.000 0.492 754 E N 1.581 121.411 120.200 -0.617 0.000 2.221 754 E HA 0.545 4.893 4.350 -0.003 0.000 0.268 754 E C -1.421 174.924 176.600 -0.423 0.000 0.933 754 E CA -0.817 55.050 56.400 -0.889 0.000 0.809 754 E CB 1.319 30.172 29.700 -1.411 0.000 1.190 754 E HN 0.290 nan 8.360 nan 0.000 0.406 755 V N 3.875 123.559 119.914 -0.383 0.000 2.328 755 V HA 0.298 4.416 4.120 -0.003 0.000 0.278 755 V C -0.335 175.631 176.094 -0.214 0.000 1.021 755 V CA -0.954 61.188 62.300 -0.263 0.000 0.838 755 V CB 1.344 32.927 31.823 -0.400 0.000 0.999 755 V HN 0.524 nan 8.190 nan 0.000 0.447 756 V N 6.029 125.884 119.914 -0.099 0.000 2.455 756 V HA 0.271 4.389 4.120 -0.003 0.000 0.273 756 V C 0.161 176.273 176.094 0.030 0.000 1.045 756 V CA -0.168 62.105 62.300 -0.044 0.000 0.976 756 V CB 0.888 32.699 31.823 -0.020 0.000 0.993 756 V HN 0.931 nan 8.190 nan 0.000 0.475 757 Q N 3.505 123.317 119.800 0.019 0.000 2.337 757 Q HA 0.677 5.015 4.340 -0.003 0.000 0.266 757 Q C -1.326 174.659 176.000 -0.026 0.000 1.023 757 Q CA -0.678 55.141 55.803 0.026 0.000 0.829 757 Q CB 2.840 31.601 28.738 0.038 0.000 1.306 757 Q HN 0.573 nan 8.270 nan 0.000 0.449 758 V N 3.054 122.887 119.914 -0.135 0.000 2.409 758 V HA 0.444 4.562 4.120 -0.003 0.000 0.291 758 V C -1.200 174.738 176.094 -0.260 0.000 1.020 758 V CA -0.733 61.488 62.300 -0.133 0.000 0.848 758 V CB 0.477 32.274 31.823 -0.043 0.000 0.990 758 V HN 0.648 nan 8.190 nan 0.000 0.430 759 Y N 3.678 123.932 120.300 -0.076 0.000 2.509 759 Y HA 0.735 5.283 4.550 -0.003 0.000 0.341 759 Y C -0.424 175.380 175.900 -0.159 0.000 1.038 759 Y CA -0.807 57.313 58.100 0.034 0.000 1.089 759 Y CB 2.089 40.589 38.460 0.067 0.000 1.241 759 Y HN 0.501 nan 8.280 nan 0.000 0.468 760 F N 0.430 120.557 119.950 0.294 0.000 2.532 760 F HA 0.682 5.207 4.527 -0.003 0.000 0.321 760 F C -0.156 175.805 175.800 0.269 0.000 1.089 760 F CA -0.589 57.574 58.000 0.271 0.000 0.926 760 F CB 2.230 41.376 39.000 0.244 0.000 1.168 760 F HN 0.304 nan 8.300 nan 0.000 0.459 761 S N 0.847 116.783 115.700 0.393 0.000 2.570 761 S HA 0.836 5.304 4.470 -0.003 0.000 0.286 761 S C -0.971 173.792 174.600 0.272 0.000 1.099 761 S CA -0.874 57.492 58.200 0.277 0.000 0.913 761 S CB 1.941 65.232 63.200 0.151 0.000 1.085 761 S HN 0.742 nan 8.310 nan 0.000 0.480 762 A N 1.611 124.511 122.820 0.133 0.000 2.301 762 A HA 0.721 5.039 4.320 -0.003 0.000 0.312 762 A C 0.516 177.965 177.584 -0.225 0.000 1.182 762 A CA -0.614 51.296 52.037 -0.213 0.000 0.826 762 A CB 0.167 19.056 19.000 -0.184 0.000 1.134 762 A HN 0.854 nan 8.150 nan 0.000 0.501 763 L N 1.441 122.454 121.223 -0.349 0.000 2.051 763 L HA 0.039 4.377 4.340 -0.003 0.000 0.202 763 L C 0.709 177.484 176.870 -0.159 0.000 1.097 763 L CA 1.013 55.737 54.840 -0.193 0.000 0.762 763 L CB -0.102 41.862 42.059 -0.159 0.000 0.913 763 L HN 0.813 nan 8.230 nan 0.000 0.447 764 N N -0.510 118.082 118.700 -0.179 0.000 2.806 764 N HA 0.119 4.857 4.740 -0.003 0.000 0.315 764 N C -0.802 174.642 175.510 -0.110 0.000 1.738 764 N CA -0.172 52.812 53.050 -0.110 0.000 0.993 764 N CB 0.986 39.424 38.487 -0.082 0.000 1.324 764 N HN 0.026 nan 8.380 nan 0.000 0.493 765 S N -0.070 115.558 115.700 -0.119 0.000 2.638 765 S HA 0.324 4.793 4.470 -0.003 0.000 0.298 765 S C 0.806 175.365 174.600 -0.068 0.000 1.111 765 S CA -0.581 57.555 58.200 -0.107 0.000 1.027 765 S CB 1.647 64.759 63.200 -0.146 0.000 1.064 765 S HN 0.274 nan 8.310 nan 0.000 0.525 766 K N 1.604 121.973 120.400 -0.051 0.000 2.367 766 K HA 0.280 4.598 4.320 -0.003 0.000 0.194 766 K C -0.379 176.194 176.600 -0.044 0.000 1.027 766 K CA 0.073 56.341 56.287 -0.032 0.000 1.075 766 K CB 0.418 32.913 32.500 -0.008 0.000 0.845 766 K HN 0.504 nan 8.250 nan 0.000 0.529 767 V N 1.878 121.735 119.914 -0.095 0.000 2.508 767 V HA -0.003 4.116 4.120 -0.003 0.000 0.281 767 V C 0.344 176.367 176.094 -0.118 0.000 1.041 767 V CA -0.223 61.973 62.300 -0.173 0.000 1.016 767 V CB 1.248 32.799 31.823 -0.454 0.000 0.984 767 V HN 0.127 nan 8.190 nan 0.000 0.478 768 S N 6.534 122.206 115.700 -0.047 0.000 2.510 768 S HA 0.442 4.910 4.470 -0.003 0.000 0.279 768 S C -0.015 174.617 174.600 0.054 0.000 1.284 768 S CA -0.280 57.949 58.200 0.049 0.000 1.059 768 S CB -0.019 63.259 63.200 0.129 0.000 0.901 768 S HN 0.748 nan 8.310 nan 0.000 0.491 769 R N 3.357 123.921 120.500 0.107 0.000 2.855 769 R HA 0.552 4.890 4.340 -0.003 0.000 0.266 769 R C -2.830 173.611 176.300 0.235 0.000 1.034 769 R CA -2.254 53.908 56.100 0.103 0.000 0.944 769 R CB 0.870 31.221 30.300 0.086 0.000 1.219 769 R HN 0.381 nan 8.270 nan 0.000 0.474 770 P HA -0.003 nan 4.420 nan 0.000 0.270 770 P C 0.792 178.227 177.300 0.226 0.000 1.223 770 P CA -0.270 63.006 63.100 0.293 0.000 0.785 770 P CB 0.527 32.325 31.700 0.163 0.000 0.923 771 V N 0.446 120.483 119.914 0.204 0.000 2.278 771 V HA -0.222 3.896 4.120 -0.003 0.000 0.251 771 V C 1.174 177.369 176.094 0.168 0.000 1.062 771 V CA 2.233 64.620 62.300 0.145 0.000 1.038 771 V CB -1.250 30.638 31.823 0.108 0.000 0.646 771 V HN 0.781 nan 8.190 nan 0.000 0.447 772 K N -0.817 119.719 120.400 0.228 0.000 2.578 772 K HA 0.650 4.968 4.320 -0.003 0.000 0.287 772 K C -1.591 175.277 176.600 0.447 0.000 1.010 772 K CA -0.900 55.564 56.287 0.294 0.000 0.889 772 K CB 2.124 34.753 32.500 0.216 0.000 1.514 772 K HN 0.151 nan 8.250 nan 0.000 0.424 773 E N 0.922 121.441 120.200 0.531 0.000 2.308 773 E HA 0.245 4.593 4.350 -0.003 0.000 0.275 773 E C -1.487 175.440 176.600 0.545 0.000 0.890 773 E CA -1.143 55.600 56.400 0.573 0.000 0.754 773 E CB 2.526 32.442 29.700 0.360 0.000 1.207 773 E HN 0.435 nan 8.360 nan 0.000 0.426 774 L N 2.996 124.491 121.223 0.454 0.000 2.462 774 L HA 0.070 4.408 4.340 -0.003 0.000 0.272 774 L C 0.229 177.107 176.870 0.013 0.000 1.166 774 L CA 0.793 55.631 54.840 -0.003 0.000 0.880 774 L CB 0.146 42.268 42.059 0.104 0.000 1.142 774 L HN 0.476 nan 8.230 nan 0.000 0.473 775 K N 3.950 124.270 120.400 -0.135 0.000 2.517 775 K HA 0.454 4.772 4.320 -0.003 0.000 0.210 775 K C 0.007 176.182 176.600 -0.708 0.000 1.166 775 K CA 0.321 56.286 56.287 -0.538 0.000 1.030 775 K CB 1.313 33.693 32.500 -0.200 0.000 0.974 775 K HN 0.716 nan 8.250 nan 0.000 0.585 776 G N 1.349 110.030 108.800 -0.198 0.000 2.703 776 G HA2 0.589 4.547 3.960 -0.003 0.000 0.294 776 G HA3 0.589 4.547 3.960 -0.003 0.000 0.294 776 G C -1.615 173.467 174.900 0.303 0.000 1.451 776 G CA -0.784 44.333 45.100 0.027 0.000 0.869 776 G HN 0.027 nan 8.290 nan 0.000 0.516 777 F N -1.130 118.912 119.950 0.153 0.000 2.688 777 F HA 0.854 5.379 4.527 -0.003 0.000 0.308 777 F C -1.182 174.668 175.800 0.083 0.000 1.117 777 F CA -1.207 56.868 58.000 0.125 0.000 0.976 777 F CB 1.874 41.037 39.000 0.271 0.000 1.291 777 F HN 0.401 nan 8.300 nan 0.000 0.439 778 E N 1.733 122.043 120.200 0.182 0.000 2.331 778 E HA 0.332 4.680 4.350 -0.003 0.000 0.275 778 E C -1.782 174.874 176.600 0.093 0.000 0.895 778 E CA -0.928 55.517 56.400 0.075 0.000 0.753 778 E CB 3.133 32.832 29.700 -0.002 0.000 1.216 778 E HN 0.755 nan 8.360 nan 0.000 0.434 779 K N 1.202 121.651 120.400 0.082 0.000 2.206 779 K HA 0.567 4.885 4.320 -0.003 0.000 0.264 779 K C -1.268 175.340 176.600 0.013 0.000 0.967 779 K CA -0.699 55.612 56.287 0.040 0.000 0.844 779 K CB 1.649 34.197 32.500 0.080 0.000 1.099 779 K HN 0.237 nan 8.250 nan 0.000 0.441 780 V N 5.015 124.915 119.914 -0.023 0.000 2.623 780 V HA 0.243 4.361 4.120 -0.003 0.000 0.304 780 V C -1.279 174.845 176.094 0.050 0.000 1.054 780 V CA -0.664 61.645 62.300 0.014 0.000 0.882 780 V CB 1.536 33.355 31.823 -0.007 0.000 1.002 780 V HN 0.906 nan 8.190 nan 0.000 0.424 781 H N 7.343 126.428 119.070 0.024 0.000 2.527 781 H HA 0.588 5.142 4.556 -0.003 0.000 0.321 781 H C -1.550 173.832 175.328 0.090 0.000 1.087 781 H CA -0.193 55.892 56.048 0.062 0.000 1.337 781 H CB 1.360 31.152 29.762 0.050 0.000 1.440 781 H HN 0.602 nan 8.280 nan 0.000 0.490 782 L N 4.906 125.932 121.223 -0.329 0.000 2.438 782 L HA 0.202 4.540 4.340 -0.003 0.000 0.270 782 L C -0.069 176.684 176.870 -0.194 0.000 0.972 782 L CA -0.931 53.846 54.840 -0.105 0.000 0.831 782 L CB 2.316 44.425 42.059 0.083 0.000 1.273 782 L HN 0.550 nan 8.230 nan 0.000 0.405 783 E N 2.594 122.751 120.200 -0.071 0.000 2.408 783 E HA 0.193 4.541 4.350 -0.003 0.000 0.259 783 E C -2.330 174.245 176.600 -0.042 0.000 1.110 783 E CA -1.801 54.581 56.400 -0.029 0.000 0.929 783 E CB 0.206 29.923 29.700 0.029 0.000 0.971 783 E HN 0.232 nan 8.360 nan 0.000 0.438 784 P HA -0.047 nan 4.420 nan 0.000 0.261 784 P C 0.754 178.027 177.300 -0.045 0.000 1.183 784 P CA 1.427 64.490 63.100 -0.063 0.000 0.761 784 P CB 0.275 31.938 31.700 -0.062 0.000 0.785 785 G N 2.162 110.932 108.800 -0.050 0.000 2.320 785 G HA2 -0.300 3.658 3.960 -0.003 0.000 0.242 785 G HA3 -0.300 3.658 3.960 -0.003 0.000 0.242 785 G C 0.322 175.216 174.900 -0.011 0.000 1.033 785 G CA -0.016 45.067 45.100 -0.029 0.000 0.620 785 G HN 0.619 nan 8.290 nan 0.000 0.517 786 E N 1.215 121.412 120.200 -0.004 0.000 2.384 786 E HA 0.427 4.775 4.350 -0.003 0.000 0.266 786 E C 0.190 176.807 176.600 0.028 0.000 1.012 786 E CA -0.077 56.332 56.400 0.015 0.000 0.901 786 E CB 0.340 30.055 29.700 0.024 0.000 0.967 786 E HN 0.420 nan 8.360 nan 0.000 0.435 787 K N 3.738 124.156 120.400 0.030 0.000 2.259 787 K HA 0.387 4.705 4.320 -0.003 0.000 0.252 787 K C -1.105 175.517 176.600 0.037 0.000 0.936 787 K CA -0.649 55.661 56.287 0.037 0.000 0.810 787 K CB 1.105 33.622 32.500 0.028 0.000 1.143 787 K HN 0.355 nan 8.250 nan 0.000 0.427 788 K N 1.248 121.671 120.400 0.039 0.000 2.482 788 K HA 0.343 4.661 4.320 -0.003 0.000 0.257 788 K C -1.250 175.365 176.600 0.025 0.000 0.969 788 K CA -0.959 55.348 56.287 0.033 0.000 0.842 788 K CB 2.337 34.861 32.500 0.039 0.000 1.359 788 K HN 0.516 nan 8.250 nan 0.000 0.441 789 T N 1.269 115.835 114.554 0.019 0.000 2.859 789 T HA 0.425 4.773 4.350 -0.003 0.000 0.281 789 T C -0.556 174.149 174.700 0.009 0.000 1.005 789 T CA -0.784 61.324 62.100 0.014 0.000 1.025 789 T CB 1.199 70.075 68.868 0.012 0.000 0.977 789 T HN 0.400 nan 8.240 nan 0.000 0.458 790 V N 1.274 121.191 119.914 0.004 0.000 2.628 790 V HA 0.692 4.810 4.120 -0.003 0.000 0.306 790 V C -0.609 175.483 176.094 -0.004 0.000 1.045 790 V CA -1.028 61.271 62.300 -0.002 0.000 0.905 790 V CB 1.893 33.712 31.823 -0.007 0.000 0.997 790 V HN 0.759 nan 8.190 nan 0.000 0.436 791 N N 3.461 122.154 118.700 -0.011 0.000 2.405 791 N HA 0.688 5.426 4.740 -0.003 0.000 0.299 791 N C -1.242 174.256 175.510 -0.021 0.000 1.075 791 N CA -0.272 52.772 53.050 -0.011 0.000 0.884 791 N CB 2.690 41.169 38.487 -0.014 0.000 1.194 791 N HN 0.723 nan 8.380 nan 0.000 0.491 792 I N 1.463 122.028 120.570 -0.009 0.000 2.468 792 I HA 0.183 4.351 4.170 -0.003 0.000 0.284 792 I C -0.875 175.237 176.117 -0.009 0.000 1.038 792 I CA -0.493 60.798 61.300 -0.015 0.000 1.083 792 I CB 1.491 39.494 38.000 0.005 0.000 1.223 792 I HN 0.177 nan 8.210 nan 0.000 0.443 793 D N 8.456 128.832 120.400 -0.039 0.000 2.278 793 D HA 0.702 5.340 4.640 -0.003 0.000 0.245 793 D C -0.762 175.497 176.300 -0.069 0.000 1.052 793 D CA -0.244 53.725 54.000 -0.051 0.000 0.834 793 D CB 2.652 43.416 40.800 -0.060 0.000 1.194 793 D HN 0.380 nan 8.370 nan 0.000 0.481 794 L N -1.455 119.718 121.223 -0.083 0.000 2.518 794 L HA 0.593 4.931 4.340 -0.003 0.000 0.257 794 L C -0.640 176.137 176.870 -0.155 0.000 0.980 794 L CA -1.053 53.716 54.840 -0.118 0.000 0.837 794 L CB 2.225 44.201 42.059 -0.137 0.000 1.410 794 L HN -0.017 nan 8.230 nan 0.000 0.410 795 E N 1.080 121.174 120.200 -0.175 0.000 2.383 795 E HA 0.219 4.567 4.350 -0.003 0.000 0.264 795 E C 0.691 177.140 176.600 -0.251 0.000 1.050 795 E CA -0.185 56.090 56.400 -0.209 0.000 0.896 795 E CB 1.647 31.204 29.700 -0.238 0.000 0.982 795 E HN 0.599 nan 8.360 nan 0.000 0.424 796 L N 3.043 124.127 121.223 -0.231 0.000 1.971 796 L HA -0.304 4.034 4.340 -0.003 0.000 0.215 796 L C 2.460 179.169 176.870 -0.268 0.000 1.072 796 L CA 1.945 56.646 54.840 -0.231 0.000 0.758 796 L CB -0.503 41.461 42.059 -0.158 0.000 0.889 796 L HN 0.639 nan 8.230 nan 0.000 0.433 797 K N -0.816 119.405 120.400 -0.299 0.000 2.160 797 K HA -0.223 4.095 4.320 -0.003 0.000 0.206 797 K C 1.222 177.656 176.600 -0.277 0.000 1.047 797 K CA 1.966 58.055 56.287 -0.330 0.000 0.930 797 K CB -0.382 31.663 32.500 -0.758 0.000 0.720 797 K HN 0.370 nan 8.250 nan 0.000 0.450 798 D N 0.522 120.723 120.400 -0.332 0.000 2.347 798 D HA 0.025 4.663 4.640 -0.003 0.000 0.213 798 D C 1.587 177.742 176.300 -0.241 0.000 0.985 798 D CA 1.019 54.865 54.000 -0.256 0.000 0.879 798 D CB 0.480 41.142 40.800 -0.230 0.000 0.919 798 D HN 0.486 nan 8.370 nan 0.000 0.526 799 A N 0.638 123.250 122.820 -0.348 0.000 2.085 799 A HA 0.148 4.466 4.320 -0.003 0.000 0.208 799 A C 1.759 179.103 177.584 -0.401 0.000 1.191 799 A CA 0.094 51.800 52.037 -0.551 0.000 0.799 799 A CB 0.046 18.434 19.000 -1.019 0.000 0.877 799 A HN 0.267 nan 8.150 nan 0.000 0.473 800 I N -3.739 116.677 120.570 -0.257 0.000 3.994 800 I HA 0.353 4.521 4.170 -0.003 0.000 0.323 800 I C -0.393 175.762 176.117 0.064 0.000 1.501 800 I CA -0.331 60.886 61.300 -0.140 0.000 1.112 800 I CB 0.822 38.524 38.000 -0.497 0.000 1.254 800 I HN -0.130 nan 8.210 nan 0.000 0.495 801 S N 1.862 117.652 115.700 0.150 0.000 2.565 801 S HA 0.473 4.941 4.470 -0.003 0.000 0.276 801 S C -0.467 174.400 174.600 0.444 0.000 1.326 801 S CA -0.293 58.097 58.200 0.316 0.000 1.045 801 S CB 0.414 63.901 63.200 0.480 0.000 0.918 801 S HN 0.494 nan 8.310 nan 0.000 0.505 802 Y N 0.023 120.538 120.300 0.359 0.000 2.631 802 Y HA 0.765 5.313 4.550 -0.003 0.000 0.328 802 Y C -0.783 175.348 175.900 0.384 0.000 1.118 802 Y CA -1.806 56.521 58.100 0.378 0.000 1.206 802 Y CB 0.555 39.151 38.460 0.227 0.000 1.337 802 Y HN 0.461 nan 8.280 nan 0.000 0.515 803 F N 3.237 123.151 119.950 -0.060 0.000 2.404 803 F HA 0.312 4.837 4.527 -0.003 0.000 0.358 803 F C 0.008 175.662 175.800 -0.243 0.000 1.120 803 F CA -0.654 57.037 58.000 -0.515 0.000 1.144 803 F CB 0.428 38.930 39.000 -0.831 0.000 1.133 803 F HN 0.650 nan 8.300 nan 0.000 0.495 804 N N 5.519 123.695 118.700 -0.874 0.000 2.415 804 N HA -0.023 4.715 4.740 -0.003 0.000 0.250 804 N C 0.961 176.151 175.510 -0.533 0.000 1.127 804 N CA 0.328 53.151 53.050 -0.379 0.000 0.945 804 N CB 0.596 38.915 38.487 -0.281 0.000 1.196 804 N HN 0.919 nan 8.380 nan 0.000 0.499 805 E N 2.604 122.755 120.200 -0.081 0.000 2.110 805 E HA -0.215 4.133 4.350 -0.003 0.000 0.193 805 E C 1.097 177.686 176.600 -0.018 0.000 0.988 805 E CA 1.017 57.467 56.400 0.082 0.000 0.804 805 E CB 0.222 30.013 29.700 0.152 0.000 0.745 805 E HN 0.750 nan 8.360 nan 0.000 0.458 806 E N 0.035 120.208 120.200 -0.046 0.000 2.106 806 E HA -0.139 4.209 4.350 -0.003 0.000 0.192 806 E C 1.885 178.418 176.600 -0.113 0.000 0.984 806 E CA 0.794 57.162 56.400 -0.053 0.000 0.806 806 E CB 0.087 29.768 29.700 -0.031 0.000 0.750 806 E HN 0.301 nan 8.360 nan 0.000 0.458 807 L N -0.751 120.353 121.223 -0.198 0.000 2.529 807 L HA 0.233 4.571 4.340 -0.003 0.000 0.223 807 L C 1.358 178.059 176.870 -0.282 0.000 1.113 807 L CA 0.319 55.000 54.840 -0.266 0.000 0.861 807 L CB 0.165 41.993 42.059 -0.385 0.000 1.012 807 L HN 0.385 nan 8.230 nan 0.000 0.461 808 G N 1.318 109.930 108.800 -0.314 0.000 2.221 808 G HA2 -0.288 3.670 3.960 -0.003 0.000 0.265 808 G HA3 -0.288 3.670 3.960 -0.003 0.000 0.265 808 G C 0.031 174.656 174.900 -0.459 0.000 1.041 808 G CA 0.393 45.353 45.100 -0.234 0.000 0.807 808 G HN 0.418 nan 8.290 nan 0.000 0.502 809 K N -1.602 118.232 120.400 -0.943 0.000 2.508 809 K HA 0.456 4.774 4.320 -0.003 0.000 0.260 809 K C -0.334 175.636 176.600 -1.049 0.000 0.949 809 K CA -1.151 54.707 56.287 -0.715 0.000 0.834 809 K CB 1.508 33.832 32.500 -0.293 0.000 1.365 809 K HN 0.124 nan 8.250 nan 0.000 0.437 810 W N 1.818 122.634 121.300 -0.807 0.000 2.148 810 W HA 0.112 4.770 4.660 -0.003 0.000 0.347 810 W C 0.651 176.843 176.519 -0.545 0.000 1.288 810 W CA 0.502 57.315 57.345 -0.886 0.000 1.252 810 W CB 0.315 28.722 29.460 -1.756 0.000 1.156 810 W HN 0.423 nan 8.180 nan 0.000 0.580 811 H N 0.812 119.694 119.070 -0.314 0.000 3.018 811 H HA 0.343 4.897 4.556 -0.003 0.000 0.334 811 H C -1.477 173.804 175.328 -0.077 0.000 0.983 811 H CA -0.760 55.099 56.048 -0.316 0.000 1.363 811 H CB 1.271 30.715 29.762 -0.529 0.000 1.668 811 H HN 0.177 nan 8.280 nan 0.000 0.513 812 V N 5.729 125.634 119.914 -0.014 0.000 2.356 812 V HA 0.036 4.154 4.120 -0.003 0.000 0.258 812 V C 0.593 176.484 176.094 -0.339 0.000 1.065 812 V CA -0.090 62.161 62.300 -0.080 0.000 0.935 812 V CB 0.744 32.565 31.823 -0.004 0.000 1.061 812 V HN 0.726 nan 8.190 nan 0.000 0.484 813 E N 3.577 123.538 120.200 -0.399 0.000 2.383 813 E HA 0.516 4.864 4.350 -0.003 0.000 0.264 813 E C 0.222 176.837 176.600 0.026 0.000 1.050 813 E CA -0.454 55.723 56.400 -0.371 0.000 0.896 813 E CB 1.130 30.741 29.700 -0.149 0.000 0.982 813 E HN 0.778 nan 8.360 nan 0.000 0.424 814 A N 2.596 125.437 122.820 0.035 0.000 2.401 814 A HA 0.623 4.941 4.320 -0.003 0.000 0.259 814 A C 0.421 178.051 177.584 0.077 0.000 1.103 814 A CA 0.631 52.722 52.037 0.089 0.000 0.789 814 A CB 0.596 19.639 19.000 0.071 0.000 1.035 814 A HN 0.789 nan 8.150 nan 0.000 0.491 815 G N 1.095 109.953 108.800 0.096 0.000 2.356 815 G HA2 0.339 4.297 3.960 -0.003 0.000 0.266 815 G HA3 0.339 4.297 3.960 -0.003 0.000 0.266 815 G C -1.302 173.538 174.900 -0.099 0.000 1.312 815 G CA -0.736 44.337 45.100 -0.044 0.000 0.922 815 G HN 0.740 nan 8.290 nan 0.000 0.480 816 E N -0.374 119.638 120.200 -0.314 0.000 2.179 816 E HA 0.640 4.988 4.350 -0.003 0.000 0.275 816 E C -1.407 174.829 176.600 -0.606 0.000 0.945 816 E CA -0.411 55.819 56.400 -0.282 0.000 0.792 816 E CB 1.929 31.529 29.700 -0.166 0.000 1.125 816 E HN 0.411 nan 8.360 nan 0.000 0.397 817 Y N 1.141 121.205 120.300 -0.394 0.000 2.633 817 Y HA 0.559 5.107 4.550 -0.003 0.000 0.339 817 Y C -0.807 174.909 175.900 -0.306 0.000 1.045 817 Y CA -1.154 56.683 58.100 -0.440 0.000 1.098 817 Y CB 1.391 39.354 38.460 -0.828 0.000 1.296 817 Y HN 0.320 nan 8.280 nan 0.000 0.494 818 L N 1.351 122.629 121.223 0.092 0.000 2.410 818 L HA 0.633 4.971 4.340 -0.003 0.000 0.270 818 L C -1.301 175.661 176.870 0.152 0.000 0.983 818 L CA -0.762 54.153 54.840 0.125 0.000 0.822 818 L CB 1.987 44.078 42.059 0.053 0.000 1.285 818 L HN 0.477 nan 8.230 nan 0.000 0.409 819 V N 4.097 124.037 119.914 0.044 0.000 2.439 819 V HA 0.726 4.844 4.120 -0.003 0.000 0.282 819 V C -0.345 175.594 176.094 -0.258 0.000 1.039 819 V CA 0.109 62.191 62.300 -0.363 0.000 0.913 819 V CB 1.680 33.156 31.823 -0.579 0.000 0.983 819 V HN 0.889 nan 8.190 nan 0.000 0.460 820 S N 5.055 120.630 115.700 -0.209 0.000 2.519 820 S HA 0.714 5.182 4.470 -0.003 0.000 0.309 820 S C -0.797 173.802 174.600 -0.002 0.000 1.100 820 S CA -0.492 57.671 58.200 -0.063 0.000 1.059 820 S CB 1.732 64.942 63.200 0.016 0.000 1.008 820 S HN 0.676 nan 8.310 nan 0.000 0.478 821 V N 2.420 122.323 119.914 -0.018 0.000 2.604 821 V HA 0.977 5.095 4.120 -0.003 0.000 0.305 821 V C 0.547 176.665 176.094 0.040 0.000 1.043 821 V CA -0.181 62.126 62.300 0.012 0.000 0.888 821 V CB 1.654 33.448 31.823 -0.049 0.000 0.995 821 V HN 1.050 nan 8.190 nan 0.000 0.429 822 G N 1.982 110.825 108.800 0.073 0.000 2.489 822 G HA2 0.500 4.458 3.960 -0.003 0.000 0.305 822 G HA3 0.500 4.458 3.960 -0.003 0.000 0.305 822 G C -0.004 174.912 174.900 0.027 0.000 1.311 822 G CA 0.357 45.487 45.100 0.050 0.000 0.813 822 G HN 0.730 nan 8.290 nan 0.000 0.480 823 T N -2.777 111.772 114.554 -0.008 0.000 3.084 823 T HA 0.559 4.907 4.350 -0.003 0.000 0.270 823 T C 0.680 175.321 174.700 -0.099 0.000 1.008 823 T CA 0.910 62.956 62.100 -0.089 0.000 0.900 823 T CB -0.269 68.528 68.868 -0.119 0.000 1.084 823 T HN 1.871 nan 8.240 nan 0.000 0.538 824 S N 0.195 115.896 115.700 0.002 0.000 2.655 824 S HA 0.436 4.904 4.470 -0.003 0.000 0.266 824 S C 0.823 175.469 174.600 0.077 0.000 1.149 824 S CA 0.056 58.277 58.200 0.034 0.000 0.818 824 S CB 0.857 64.116 63.200 0.098 0.000 1.130 824 S HN 0.317 nan 8.310 nan 0.000 0.476 825 S N -0.551 115.185 115.700 0.061 0.000 2.515 825 S HA 0.046 4.514 4.470 -0.003 0.000 0.231 825 S C 0.694 175.179 174.600 -0.191 0.000 0.987 825 S CA 1.451 59.502 58.200 -0.249 0.000 0.936 825 S CB -0.607 62.455 63.200 -0.231 0.000 0.766 825 S HN 0.781 nan 8.310 nan 0.000 0.528 826 D N 0.990 121.369 120.400 -0.035 0.000 2.424 826 D HA 0.161 4.800 4.640 -0.003 0.000 0.220 826 D C -0.648 175.657 176.300 0.010 0.000 1.150 826 D CA -0.105 53.885 54.000 -0.017 0.000 0.831 826 D CB 0.102 40.905 40.800 0.005 0.000 0.981 826 D HN 0.167 nan 8.370 nan 0.000 0.500 827 D N 1.173 121.579 120.400 0.009 0.000 2.772 827 D HA 0.112 4.750 4.640 -0.003 0.000 0.326 827 D C -0.227 176.078 176.300 0.008 0.000 1.207 827 D CA -0.377 53.640 54.000 0.027 0.000 0.777 827 D CB 0.707 41.539 40.800 0.054 0.000 1.169 827 D HN 0.157 nan 8.370 nan 0.000 0.506 828 I N 1.615 122.178 120.570 -0.013 0.000 2.416 828 I HA 0.142 4.310 4.170 -0.003 0.000 0.288 828 I C 1.541 177.655 176.117 -0.004 0.000 1.051 828 I CA -0.038 61.255 61.300 -0.011 0.000 1.375 828 I CB 1.450 39.429 38.000 -0.035 0.000 1.407 828 I HN 0.158 nan 8.210 nan 0.000 0.516 829 L N 3.951 125.173 121.223 -0.001 0.000 2.672 829 L HA 0.209 4.547 4.340 -0.003 0.000 0.236 829 L C 0.573 177.437 176.870 -0.010 0.000 1.092 829 L CA 0.346 55.184 54.840 -0.002 0.000 0.887 829 L CB 0.424 42.486 42.059 0.005 0.000 1.168 829 L HN 0.633 nan 8.230 nan 0.000 0.502 830 S N 0.291 115.978 115.700 -0.023 0.000 2.592 830 S HA 0.521 4.989 4.470 -0.003 0.000 0.275 830 S C -1.170 173.391 174.600 -0.066 0.000 1.169 830 S CA -0.575 57.602 58.200 -0.039 0.000 0.958 830 S CB 1.609 64.785 63.200 -0.040 0.000 1.095 830 S HN -0.010 nan 8.310 nan 0.000 0.471 831 V N 2.666 122.538 119.914 -0.070 0.000 2.876 831 V HA 0.943 5.061 4.120 -0.003 0.000 0.312 831 V C -1.363 174.662 176.094 -0.116 0.000 1.085 831 V CA -0.704 61.538 62.300 -0.097 0.000 0.945 831 V CB 2.012 33.802 31.823 -0.056 0.000 1.017 831 V HN 0.795 nan 8.190 nan 0.000 0.428 832 K N 2.315 122.603 120.400 -0.186 0.000 2.422 832 K HA 0.550 4.868 4.320 -0.003 0.000 0.251 832 K C -0.865 175.749 176.600 0.024 0.000 0.933 832 K CA -0.455 55.740 56.287 -0.153 0.000 0.798 832 K CB 2.023 34.261 32.500 -0.437 0.000 1.238 832 K HN 0.897 nan 8.250 nan 0.000 0.428 833 E N 3.292 123.590 120.200 0.163 0.000 2.231 833 E HA 0.406 4.754 4.350 -0.003 0.000 0.277 833 E C -1.111 175.786 176.600 0.495 0.000 0.999 833 E CA -0.443 56.102 56.400 0.242 0.000 0.827 833 E CB 0.823 30.604 29.700 0.135 0.000 1.101 833 E HN 0.489 nan 8.360 nan 0.000 0.393 834 F N 0.799 120.918 119.950 0.281 0.000 2.643 834 F HA 0.656 5.181 4.527 -0.003 0.000 0.314 834 F C -0.912 175.042 175.800 0.257 0.000 1.096 834 F CA -1.343 56.832 58.000 0.292 0.000 0.953 834 F CB 1.203 40.420 39.000 0.363 0.000 1.345 834 F HN 0.096 nan 8.300 nan 0.000 0.468 835 K N 1.229 121.812 120.400 0.306 0.000 2.207 835 K HA 0.746 5.064 4.320 -0.003 0.000 0.255 835 K C -1.976 174.759 176.600 0.225 0.000 0.941 835 K CA -0.740 55.651 56.287 0.174 0.000 0.825 835 K CB 2.099 34.681 32.500 0.138 0.000 1.119 835 K HN 0.681 nan 8.250 nan 0.000 0.430 836 V N 5.260 125.292 119.914 0.196 0.000 2.487 836 V HA 0.263 4.381 4.120 -0.003 0.000 0.298 836 V C 0.518 176.685 176.094 0.122 0.000 1.028 836 V CA -0.467 61.939 62.300 0.177 0.000 0.860 836 V CB 1.448 33.380 31.823 0.182 0.000 0.991 836 V HN 0.996 nan 8.190 nan 0.000 0.427 837 E N 4.215 124.470 120.200 0.092 0.000 2.290 837 E HA 0.056 4.404 4.350 -0.003 0.000 0.197 837 E C 0.629 177.267 176.600 0.063 0.000 0.948 837 E CA -0.145 56.297 56.400 0.070 0.000 0.895 837 E CB 0.629 30.365 29.700 0.060 0.000 0.865 837 E HN 0.622 nan 8.360 nan 0.000 0.486 838 K N 2.817 123.252 120.400 0.058 0.000 2.339 838 K HA 0.161 4.479 4.320 -0.003 0.000 0.264 838 K C -0.183 176.444 176.600 0.045 0.000 0.986 838 K CA -0.634 55.684 56.287 0.052 0.000 0.866 838 K CB 1.438 33.965 32.500 0.044 0.000 1.103 838 K HN 0.049 nan 8.250 nan 0.000 0.441 839 E N 3.596 123.825 120.200 0.049 0.000 2.428 839 E HA 0.102 4.450 4.350 -0.003 0.000 0.257 839 E C -1.003 175.608 176.600 0.017 0.000 1.197 839 E CA -0.662 55.748 56.400 0.017 0.000 0.974 839 E CB 0.639 30.368 29.700 0.049 0.000 0.976 839 E HN 0.520 nan 8.360 nan 0.000 0.463 840 L N 1.614 122.828 121.223 -0.015 0.000 2.526 840 L HA 0.388 4.726 4.340 -0.003 0.000 0.263 840 L C -2.158 174.771 176.870 0.098 0.000 0.943 840 L CA -0.507 54.383 54.840 0.083 0.000 0.859 840 L CB 1.735 43.858 42.059 0.106 0.000 1.313 840 L HN 0.582 nan 8.230 nan 0.000 0.406 841 Y N 4.785 125.263 120.300 0.296 0.000 2.364 841 Y HA 0.774 5.322 4.550 -0.003 0.000 0.340 841 Y C -0.636 175.463 175.900 0.332 0.000 0.975 841 Y CA -0.214 58.021 58.100 0.226 0.000 1.089 841 Y CB 1.560 40.048 38.460 0.046 0.000 1.192 841 Y HN 0.651 nan 8.280 nan 0.000 0.454 842 W N 1.639 123.105 121.300 0.276 0.000 3.042 842 W HA 0.766 5.424 4.660 -0.003 0.000 0.342 842 W C -1.995 174.723 176.519 0.331 0.000 1.240 842 W CA -1.246 56.239 57.345 0.233 0.000 1.166 842 W CB 1.472 31.026 29.460 0.157 0.000 1.469 842 W HN 0.401 nan 8.180 nan 0.000 0.579 843 K N 0.346 121.078 120.400 0.552 0.000 2.439 843 K HA 0.650 4.968 4.320 -0.003 0.000 0.260 843 K C 0.189 177.162 176.600 0.620 0.000 1.032 843 K CA -0.154 56.428 56.287 0.492 0.000 0.882 843 K CB 2.351 35.039 32.500 0.314 0.000 1.420 843 K HN 0.918 nan 8.250 nan 0.000 0.455 844 G N 0.290 109.451 108.800 0.601 0.000 2.488 844 G HA2 -0.204 3.754 3.960 -0.003 0.000 0.237 844 G HA3 -0.204 3.754 3.960 -0.003 0.000 0.237 844 G C -1.185 173.958 174.900 0.404 0.000 1.209 844 G CA -0.526 44.894 45.100 0.533 0.000 0.929 844 G HN 0.273 nan 8.290 nan 0.000 0.578 845 L N 0.000 121.331 121.223 0.180 0.000 2.949 845 L HA 0.000 4.338 4.340 -0.003 0.000 0.249 845 L CA 0.000 54.799 54.840 -0.069 0.000 0.813 845 L CB 0.000 41.989 42.059 -0.117 0.000 0.961 845 L HN 0.000 nan 8.230 nan 0.000 0.502