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_D 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 VEXXXXXEEP FHVTKVNRSN VHLFDFKHEK DATA SEQUENCE VDPKNPYFFV TLTGQYVPQE DGDYIFSLQV YGSGLFYLND ELIIDQKHNQ DATA SEQUENCE ERGSFCFGAG TKERTKKLTL KKGQVYNVRV EYGSGPTSXX 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 0.059 0.000 1.055 2 S CA 0.000 58.236 58.200 0.059 0.000 1.107 2 S CB 0.000 63.220 63.200 0.033 0.000 0.593 3 K N 0.992 121.436 120.400 0.073 0.000 2.393 3 K HA 0.245 4.566 4.320 0.002 0.000 0.193 3 K C 0.078 176.727 176.600 0.082 0.000 1.026 3 K CA -0.071 56.251 56.287 0.058 0.000 1.064 3 K CB -0.244 32.285 32.500 0.050 0.000 0.833 3 K HN 0.469 nan 8.250 nan 0.000 0.521 4 F N 3.695 123.643 119.950 -0.004 0.000 2.368 4 F HA 0.153 4.682 4.527 0.002 0.000 0.362 4 F C -0.564 175.236 175.800 0.001 0.000 1.137 4 F CA -0.915 57.085 58.000 -0.000 0.000 1.161 4 F CB 0.620 39.621 39.000 0.002 0.000 1.265 4 F HN -0.094 nan 8.300 nan 0.000 0.530 5 D N 5.960 126.233 120.400 -0.213 0.000 2.460 5 D HA 0.143 4.784 4.640 0.002 0.000 0.232 5 D C 1.016 177.199 176.300 -0.195 0.000 1.079 5 D CA -0.187 53.744 54.000 -0.116 0.000 0.864 5 D CB 1.503 42.242 40.800 -0.101 0.000 1.048 5 D HN 0.378 nan 8.370 nan 0.000 0.523 6 V N 4.063 123.945 119.914 -0.053 0.000 2.231 6 V HA -0.254 3.867 4.120 0.002 0.000 0.250 6 V C 2.249 178.306 176.094 -0.060 0.000 1.058 6 V CA 1.631 63.913 62.300 -0.029 0.000 1.022 6 V CB -0.270 31.590 31.823 0.061 0.000 0.640 6 V HN 0.576 nan 8.190 nan 0.000 0.445 7 E N -0.480 119.694 120.200 -0.042 0.000 2.153 7 E HA -0.241 4.111 4.350 0.002 0.000 0.194 7 E C 2.176 178.741 176.600 -0.058 0.000 0.988 7 E CA 1.253 57.629 56.400 -0.041 0.000 0.811 7 E CB -0.230 29.454 29.700 -0.026 0.000 0.746 7 E HN 0.626 nan 8.360 nan 0.000 0.466 8 Q N 0.756 120.507 119.800 -0.081 0.000 2.046 8 Q HA -0.041 4.300 4.340 0.002 0.000 0.200 8 Q C 2.252 178.189 176.000 -0.105 0.000 0.975 8 Q CA 1.066 56.817 55.803 -0.087 0.000 0.836 8 Q CB -0.293 28.386 28.738 -0.098 0.000 0.896 8 Q HN 0.256 nan 8.270 nan 0.000 0.428 9 L N -0.276 120.853 121.223 -0.156 0.000 2.083 9 L HA -0.151 4.190 4.340 0.002 0.000 0.209 9 L C 2.253 179.069 176.870 -0.090 0.000 1.083 9 L CA 0.715 55.461 54.840 -0.157 0.000 0.752 9 L CB -0.543 41.360 42.059 -0.261 0.000 0.899 9 L HN 0.283 nan 8.230 nan 0.000 0.433 10 L N -0.069 121.111 121.223 -0.071 0.000 2.046 10 L HA -0.205 4.137 4.340 0.002 0.000 0.208 10 L C 2.797 179.645 176.870 -0.037 0.000 1.077 10 L CA 2.084 56.899 54.840 -0.042 0.000 0.747 10 L CB -0.527 41.514 42.059 -0.029 0.000 0.896 10 L HN 0.371 nan 8.230 nan 0.000 0.432 11 S N -1.514 114.161 115.700 -0.041 0.000 2.442 11 S HA -0.177 4.294 4.470 0.002 0.000 0.236 11 S C 1.630 176.209 174.600 -0.035 0.000 1.007 11 S CA 1.414 59.593 58.200 -0.035 0.000 0.965 11 S CB -0.522 62.658 63.200 -0.034 0.000 0.773 11 S HN 0.712 nan 8.310 nan 0.000 0.504 12 E N 0.182 120.357 120.200 -0.043 0.000 2.389 12 E HA 0.314 4.666 4.350 0.002 0.000 0.199 12 E C -0.138 176.442 176.600 -0.033 0.000 0.978 12 E CA -0.293 56.083 56.400 -0.039 0.000 0.912 12 E CB 0.109 29.780 29.700 -0.049 0.000 0.907 12 E HN 0.468 nan 8.360 nan 0.000 0.494 13 L N 3.132 124.336 121.223 -0.033 0.000 2.456 13 L HA 0.040 4.381 4.340 0.002 0.000 0.272 13 L C 0.474 177.333 176.870 -0.020 0.000 1.189 13 L CA -0.538 54.288 54.840 -0.025 0.000 0.846 13 L CB 0.030 42.076 42.059 -0.021 0.000 1.111 13 L HN 0.154 nan 8.230 nan 0.000 0.475 14 N N 1.194 119.884 118.700 -0.017 0.000 2.413 14 N HA 0.062 4.804 4.740 0.002 0.000 0.266 14 N C 0.343 175.845 175.510 -0.013 0.000 1.238 14 N CA -0.619 52.422 53.050 -0.014 0.000 0.972 14 N CB 0.416 38.895 38.487 -0.013 0.000 1.210 14 N HN 0.607 nan 8.380 nan 0.000 0.547 15 Q N -0.951 118.842 119.800 -0.011 0.000 2.124 15 Q HA -0.177 4.165 4.340 0.002 0.000 0.202 15 Q C 0.294 176.288 176.000 -0.010 0.000 0.977 15 Q CA 1.658 57.455 55.803 -0.009 0.000 0.850 15 Q CB -0.089 28.645 28.738 -0.006 0.000 0.901 15 Q HN 0.619 nan 8.270 nan 0.000 0.429 16 D N 0.312 120.706 120.400 -0.011 0.000 2.144 16 D HA -0.149 4.493 4.640 0.002 0.000 0.199 16 D C 1.539 177.829 176.300 -0.017 0.000 0.984 16 D CA 1.198 55.190 54.000 -0.014 0.000 0.834 16 D CB -0.027 40.764 40.800 -0.015 0.000 0.955 16 D HN 0.407 nan 8.370 nan 0.000 0.465 17 E N 0.575 120.766 120.200 -0.016 0.000 2.072 17 E HA -0.114 4.237 4.350 0.002 0.000 0.191 17 E C 2.013 178.604 176.600 -0.014 0.000 0.985 17 E CA 0.689 57.080 56.400 -0.015 0.000 0.801 17 E CB 0.100 29.792 29.700 -0.013 0.000 0.750 17 E HN 0.221 nan 8.360 nan 0.000 0.452 18 K N 0.684 121.076 120.400 -0.013 0.000 2.020 18 K HA -0.188 4.133 4.320 0.002 0.000 0.212 18 K C 2.162 178.753 176.600 -0.014 0.000 1.050 18 K CA 1.482 57.763 56.287 -0.011 0.000 0.929 18 K CB -0.270 32.224 32.500 -0.010 0.000 0.714 18 K HN 0.120 nan 8.250 nan 0.000 0.443 19 I N 1.238 121.799 120.570 -0.016 0.000 2.208 19 I HA -0.306 3.865 4.170 0.002 0.000 0.245 19 I C 2.619 178.717 176.117 -0.033 0.000 1.097 19 I CA 1.476 62.765 61.300 -0.019 0.000 1.363 19 I CB -0.490 37.501 38.000 -0.014 0.000 1.051 19 I HN 0.260 nan 8.210 nan 0.000 0.413 20 S N 1.145 116.824 115.700 -0.035 0.000 2.419 20 S HA -0.120 4.351 4.470 0.002 0.000 0.233 20 S C 1.923 176.488 174.600 -0.057 0.000 1.016 20 S CA 0.903 59.073 58.200 -0.050 0.000 0.974 20 S CB -0.730 62.446 63.200 -0.041 0.000 0.786 20 S HN 0.457 nan 8.310 nan 0.000 0.492 21 L N 0.482 121.682 121.223 -0.038 0.000 2.376 21 L HA 0.192 4.534 4.340 0.002 0.000 0.219 21 L C 1.939 178.779 176.870 -0.051 0.000 1.133 21 L CA 0.529 55.349 54.840 -0.032 0.000 0.816 21 L CB -0.335 41.723 42.059 -0.002 0.000 0.933 21 L HN 0.355 nan 8.230 nan 0.000 0.449 22 L N -1.044 120.145 121.223 -0.057 0.000 2.599 22 L HA 0.069 4.410 4.340 0.002 0.000 0.230 22 L C 0.791 177.597 176.870 -0.106 0.000 1.141 22 L CA 0.037 54.842 54.840 -0.058 0.000 0.877 22 L CB -0.307 41.733 42.059 -0.032 0.000 1.009 22 L HN 0.304 nan 8.230 nan 0.000 0.447 23 S N -1.321 114.279 115.700 -0.167 0.000 2.595 23 S HA 0.750 5.221 4.470 0.002 0.000 0.281 23 S C -0.357 173.985 174.600 -0.431 0.000 1.117 23 S CA -0.779 57.245 58.200 -0.294 0.000 0.873 23 S CB 2.315 65.369 63.200 -0.243 0.000 1.108 23 S HN 0.018 nan 8.310 nan 0.000 0.477 24 A N 1.055 123.416 122.820 -0.765 0.000 2.366 24 A HA 0.557 4.879 4.320 0.002 0.000 0.249 24 A C 1.141 178.448 177.584 -0.462 0.000 1.084 24 A CA -0.543 50.973 52.037 -0.869 0.000 0.794 24 A CB -0.076 17.925 19.000 -1.664 0.000 1.034 24 A HN 1.090 nan 8.150 nan 0.000 0.491 25 V N 0.899 120.645 119.914 -0.280 0.000 2.453 25 V HA -0.012 4.109 4.120 0.002 0.000 0.247 25 V C 0.899 176.887 176.094 -0.177 0.000 1.048 25 V CA 2.315 64.509 62.300 -0.176 0.000 1.049 25 V CB -1.172 30.596 31.823 -0.091 0.000 0.672 25 V HN 1.086 nan 8.190 nan 0.000 0.457 26 D N -3.186 117.125 120.400 -0.150 0.000 3.009 26 D HA 0.166 4.807 4.640 0.002 0.000 0.318 26 D C 0.634 176.806 176.300 -0.213 0.000 1.273 26 D CA -0.739 53.183 54.000 -0.130 0.000 1.001 26 D CB 0.093 40.931 40.800 0.063 0.000 1.411 26 D HN -0.099 nan 8.370 nan 0.000 0.577 27 F N -1.157 118.660 119.950 -0.221 0.000 2.202 27 F HA 0.048 4.577 4.527 0.002 0.000 0.301 27 F C 1.106 176.642 175.800 -0.440 0.000 1.082 27 F CA 1.205 58.900 58.000 -0.508 0.000 1.313 27 F CB -0.069 38.421 39.000 -0.850 0.000 1.024 27 F HN 0.314 nan 8.300 nan 0.000 0.495 28 W N -3.082 118.582 121.300 0.606 0.000 2.534 28 W HA 0.230 4.892 4.660 0.002 0.000 0.339 28 W C -0.383 176.231 176.519 0.158 0.000 0.961 28 W CA -0.293 57.305 57.345 0.421 0.000 1.545 28 W CB 0.004 29.566 29.460 0.170 0.000 1.104 28 W HN -0.246 nan 8.180 nan 0.000 0.538 29 H N -1.035 118.281 119.070 0.409 0.000 2.768 29 H HA 0.500 5.057 4.556 0.002 0.000 0.371 29 H C 0.584 175.956 175.328 0.073 0.000 1.151 29 H CA -0.908 55.299 56.048 0.265 0.000 1.165 29 H CB 1.266 31.134 29.762 0.176 0.000 1.722 29 H HN -0.228 nan 8.280 nan 0.000 0.543 30 T N -1.603 113.070 114.554 0.199 0.000 2.814 30 T HA 0.340 4.691 4.350 0.002 0.000 0.284 30 T C 0.269 174.990 174.700 0.034 0.000 0.998 30 T CA -1.041 61.076 62.100 0.028 0.000 0.935 30 T CB 0.864 69.778 68.868 0.076 0.000 1.167 30 T HN 0.370 nan 8.240 nan 0.000 0.545 31 K N 0.951 121.346 120.400 -0.009 0.000 2.276 31 K HA 0.264 4.585 4.320 0.002 0.000 0.285 31 K C -0.109 176.505 176.600 0.023 0.000 1.062 31 K CA -0.426 55.855 56.287 -0.011 0.000 0.918 31 K CB 0.499 32.978 32.500 -0.035 0.000 1.055 31 K HN 0.674 nan 8.250 nan 0.000 0.477 32 K N 5.395 125.809 120.400 0.023 0.000 2.368 32 K HA 0.143 4.464 4.320 0.002 0.000 0.282 32 K C -0.660 175.954 176.600 0.023 0.000 1.035 32 K CA -0.075 56.232 56.287 0.033 0.000 0.973 32 K CB 0.355 32.871 32.500 0.026 0.000 0.957 32 K HN 0.668 nan 8.250 nan 0.000 0.474 33 I N 5.068 125.659 120.570 0.035 0.000 2.621 33 I HA 0.040 4.211 4.170 0.002 0.000 0.276 33 I C 0.992 177.125 176.117 0.027 0.000 1.118 33 I CA -0.310 61.004 61.300 0.023 0.000 1.159 33 I CB 1.232 39.246 38.000 0.022 0.000 1.357 33 I HN 0.874 nan 8.210 nan 0.000 0.513 34 E N 5.163 125.375 120.200 0.019 0.000 2.118 34 E HA -0.236 4.116 4.350 0.002 0.000 0.195 34 E C 2.215 178.824 176.600 0.015 0.000 0.992 34 E CA 1.438 57.850 56.400 0.020 0.000 0.804 34 E CB 0.204 29.912 29.700 0.012 0.000 0.741 34 E HN 0.638 nan 8.360 nan 0.000 0.458 35 R N 0.300 120.804 120.500 0.007 0.000 2.241 35 R HA -0.091 4.251 4.340 0.002 0.000 0.224 35 R C 1.496 177.795 176.300 -0.002 0.000 1.101 35 R CA 1.107 57.208 56.100 0.001 0.000 0.995 35 R CB -0.153 30.144 30.300 -0.005 0.000 0.870 35 R HN 0.254 nan 8.270 nan 0.000 0.463 36 L N 0.321 121.544 121.223 0.001 0.000 2.808 36 L HA 0.359 4.700 4.340 0.002 0.000 0.246 36 L C 0.538 177.414 176.870 0.009 0.000 1.153 36 L CA 0.178 55.010 54.840 -0.013 0.000 0.956 36 L CB 0.904 42.943 42.059 -0.034 0.000 1.270 36 L HN 0.538 nan 8.230 nan 0.000 0.528 37 G N 1.665 110.489 108.800 0.041 0.000 2.246 37 G HA2 -0.286 3.676 3.960 0.002 0.000 0.273 37 G HA3 -0.286 3.676 3.960 0.002 0.000 0.273 37 G C -0.025 174.967 174.900 0.154 0.000 1.055 37 G CA -0.004 45.144 45.100 0.080 0.000 0.851 37 G HN 0.328 nan 8.290 nan 0.000 0.500 38 I N 1.873 122.526 120.570 0.139 0.000 2.312 38 I HA 0.349 4.520 4.170 0.002 0.000 0.290 38 I C -1.824 174.366 176.117 0.122 0.000 1.008 38 I CA -2.453 58.966 61.300 0.198 0.000 1.226 38 I CB 1.909 40.014 38.000 0.175 0.000 1.371 38 I HN -0.047 nan 8.210 nan 0.000 0.468 39 P HA 0.292 nan 4.420 nan 0.000 0.283 39 P C -0.812 176.540 177.300 0.086 0.000 1.271 39 P CA -0.691 62.456 63.100 0.079 0.000 0.841 39 P CB 1.061 32.799 31.700 0.063 0.000 1.122 40 A N 1.622 124.498 122.820 0.092 0.000 2.524 40 A HA 0.306 4.627 4.320 0.002 0.000 0.250 40 A C 0.146 177.829 177.584 0.164 0.000 1.078 40 A CA 0.022 52.138 52.037 0.132 0.000 0.761 40 A CB -0.673 18.410 19.000 0.138 0.000 1.012 40 A HN 0.354 nan 8.150 nan 0.000 0.500 41 V N 4.153 124.168 119.914 0.169 0.000 2.481 41 V HA 0.384 4.506 4.120 0.002 0.000 0.286 41 V C 0.703 176.904 176.094 0.179 0.000 1.042 41 V CA -0.552 61.842 62.300 0.157 0.000 0.928 41 V CB 1.356 33.261 31.823 0.136 0.000 0.986 41 V HN 0.974 nan 8.190 nan 0.000 0.462 42 R N 3.321 123.885 120.500 0.108 0.000 2.368 42 R HA 0.723 5.064 4.340 0.002 0.000 0.302 42 R C -0.839 175.484 176.300 0.039 0.000 1.002 42 R CA -0.379 55.691 56.100 -0.050 0.000 0.929 42 R CB 1.666 31.908 30.300 -0.096 0.000 1.073 42 R HN 0.684 nan 8.270 nan 0.000 0.464 43 V N -0.009 119.963 119.914 0.098 0.000 2.864 43 V HA 0.797 4.919 4.120 0.002 0.000 0.314 43 V C -0.866 175.264 176.094 0.060 0.000 1.073 43 V CA -0.666 61.701 62.300 0.111 0.000 0.956 43 V CB 1.913 33.840 31.823 0.174 0.000 1.023 43 V HN 0.751 nan 8.190 nan 0.000 0.435 44 S N 1.062 116.716 115.700 -0.077 0.000 2.536 44 S HA 0.458 4.929 4.470 0.002 0.000 0.271 44 S C -1.075 173.355 174.600 -0.283 0.000 1.134 44 S CA -0.636 57.386 58.200 -0.296 0.000 0.897 44 S CB 1.814 64.825 63.200 -0.316 0.000 1.094 44 S HN 0.979 nan 8.310 nan 0.000 0.473 45 D N 1.806 121.956 120.400 -0.416 0.000 2.400 45 D HA 0.518 5.159 4.640 0.002 0.000 0.238 45 D C 0.600 176.735 176.300 -0.274 0.000 1.157 45 D CA 0.851 54.664 54.000 -0.313 0.000 0.889 45 D CB 1.236 41.833 40.800 -0.339 0.000 1.199 45 D HN 0.730 nan 8.370 nan 0.000 0.436 46 G N 0.217 108.892 108.800 -0.208 0.000 2.846 46 G HA2 0.332 4.293 3.960 0.002 0.000 0.299 46 G HA3 0.332 4.293 3.960 0.002 0.000 0.299 46 G C -2.322 172.468 174.900 -0.183 0.000 1.242 46 G CA -0.629 44.363 45.100 -0.180 0.000 0.800 46 G HN 0.225 nan 8.290 nan 0.000 0.538 47 P HA 0.056 nan 4.420 nan 0.000 0.236 47 P C 0.127 177.295 177.300 -0.221 0.000 1.177 47 P CA 0.816 63.785 63.100 -0.218 0.000 0.773 47 P CB -0.010 31.528 31.700 -0.269 0.000 0.878 48 N N -0.595 118.009 118.700 -0.159 0.000 2.610 48 N HA 0.468 5.209 4.740 0.002 0.000 0.307 48 N C -0.018 175.493 175.510 0.002 0.000 1.813 48 N CA -0.382 52.604 53.050 -0.107 0.000 0.901 48 N CB 0.481 38.999 38.487 0.051 0.000 1.354 48 N HN 0.077 nan 8.380 nan 0.000 0.491 49 G N 0.195 108.907 108.800 -0.148 0.000 2.484 49 G HA2 0.078 4.040 3.960 0.002 0.000 0.685 49 G HA3 0.078 4.040 3.960 0.002 0.000 0.685 49 G C -1.660 173.193 174.900 -0.079 0.000 1.294 49 G CA -1.043 44.086 45.100 0.048 0.000 0.879 49 G HN 0.156 nan 8.290 nan 0.000 0.646 50 I N 1.521 122.045 120.570 -0.078 0.000 2.330 50 I HA 0.386 4.557 4.170 0.002 0.000 0.286 50 I C 1.570 177.566 176.117 -0.201 0.000 1.025 50 I CA -0.619 60.593 61.300 -0.147 0.000 1.197 50 I CB 0.968 38.906 38.000 -0.104 0.000 1.358 50 I HN 0.864 nan 8.210 nan 0.000 0.467 51 R N 4.507 124.836 120.500 -0.286 0.000 2.115 51 R HA 0.056 4.397 4.340 0.002 0.000 0.230 51 R C 1.075 177.164 176.300 -0.352 0.000 1.111 51 R CA 1.207 57.096 56.100 -0.352 0.000 0.976 51 R CB 0.167 30.168 30.300 -0.497 0.000 0.870 51 R HN 0.947 nan 8.270 nan 0.000 0.445 52 G N -1.384 107.182 108.800 -0.390 0.000 2.632 52 G HA2 -0.327 3.635 3.960 0.002 0.000 0.224 52 G HA3 -0.327 3.635 3.960 0.002 0.000 0.224 52 G C 0.414 174.993 174.900 -0.536 0.000 1.341 52 G CA 0.127 45.018 45.100 -0.349 0.000 0.880 52 G HN 0.315 nan 8.290 nan 0.000 0.566 53 T N -1.629 112.726 114.554 -0.333 0.000 3.148 53 T HA 0.419 4.770 4.350 0.002 0.000 0.253 53 T C 0.634 175.341 174.700 0.012 0.000 1.134 53 T CA 1.627 63.554 62.100 -0.289 0.000 1.051 53 T CB -0.467 68.465 68.868 0.107 0.000 0.959 53 T HN 1.334 nan 8.240 nan 0.000 0.525 54 K N -1.131 119.256 120.400 -0.021 0.000 2.562 54 K HA 0.442 4.764 4.320 0.002 0.000 0.267 54 K C -0.932 175.759 176.600 0.151 0.000 0.938 54 K CA -0.953 55.465 56.287 0.219 0.000 0.840 54 K CB 0.582 33.249 32.500 0.278 0.000 1.390 54 K HN -0.093 nan 8.250 nan 0.000 0.428 55 F N 0.838 120.981 119.950 0.321 0.000 2.123 55 F HA 0.171 4.699 4.527 0.002 0.000 0.289 55 F C 0.993 176.971 175.800 0.296 0.000 1.099 55 F CA 0.530 58.715 58.000 0.308 0.000 1.234 55 F CB 0.170 39.484 39.000 0.524 0.000 1.034 55 F HN 0.557 nan 8.300 nan 0.000 0.479 56 F N 2.048 122.294 119.950 0.494 0.000 2.472 56 F HA 0.185 4.713 4.527 0.002 0.000 0.364 56 F C 0.663 176.636 175.800 0.288 0.000 1.090 56 F CA -0.778 57.426 58.000 0.340 0.000 1.188 56 F CB -0.044 39.146 39.000 0.316 0.000 1.105 56 F HN 0.231 nan 8.300 nan 0.000 0.536 57 D N 3.237 123.272 120.400 -0.609 0.000 2.907 57 D HA -0.149 4.493 4.640 0.002 0.000 0.226 57 D C 0.110 176.335 176.300 -0.125 0.000 1.141 57 D CA 1.023 54.741 54.000 -0.471 0.000 0.779 57 D CB -1.227 39.258 40.800 -0.524 0.000 1.095 57 D HN 0.918 nan 8.370 nan 0.000 0.430 58 G N -0.604 108.163 108.800 -0.055 0.000 2.503 58 G HA2 0.463 4.425 3.960 0.002 0.000 0.257 58 G HA3 0.463 4.425 3.960 0.002 0.000 0.257 58 G C 0.264 175.143 174.900 -0.035 0.000 1.214 58 G CA -0.324 44.762 45.100 -0.024 0.000 0.839 58 G HN 0.299 nan 8.290 nan 0.000 0.559 59 V N 3.638 123.535 119.914 -0.028 0.000 2.572 59 V HA 0.113 4.234 4.120 0.002 0.000 0.291 59 V C -1.530 174.550 176.094 -0.023 0.000 1.039 59 V CA -0.871 61.425 62.300 -0.006 0.000 1.055 59 V CB 1.185 33.012 31.823 0.006 0.000 0.969 59 V HN 0.563 nan 8.190 nan 0.000 0.482 60 P HA 0.224 nan 4.420 nan 0.000 0.270 60 P C -0.353 176.870 177.300 -0.129 0.000 1.223 60 P CA 0.255 63.346 63.100 -0.014 0.000 0.785 60 P CB 0.643 32.431 31.700 0.148 0.000 0.923 61 S N -0.454 114.906 115.700 -0.568 0.000 2.625 61 S HA 0.645 5.116 4.470 0.002 0.000 0.271 61 S C -0.704 173.087 174.600 -1.348 0.000 1.161 61 S CA -0.587 57.116 58.200 -0.828 0.000 0.820 61 S CB 1.089 64.081 63.200 -0.348 0.000 1.137 61 S HN 0.472 nan 8.310 nan 0.000 0.470 62 G N 1.209 109.492 108.800 -0.863 0.000 2.444 62 G HA2 0.362 4.323 3.960 0.002 0.000 0.303 62 G HA3 0.362 4.323 3.960 0.002 0.000 0.303 62 G C 0.081 174.849 174.900 -0.219 0.000 1.032 62 G CA -0.144 44.670 45.100 -0.477 0.000 1.137 62 G HN 0.705 nan 8.290 nan 0.000 0.430 63 C N 4.425 123.576 119.300 -0.248 0.000 2.576 63 C HA 0.582 5.043 4.460 0.002 0.000 0.401 63 C C 0.497 175.467 174.990 -0.033 0.000 1.314 63 C CA -0.963 58.022 59.018 -0.055 0.000 1.855 63 C CB -1.514 26.165 27.740 -0.103 0.000 2.537 63 C HN 0.535 nan 8.230 nan 0.000 0.578 64 F N 5.633 125.557 119.950 -0.042 0.000 2.380 64 F HA 0.427 4.956 4.527 0.002 0.000 0.319 64 F C -1.523 174.301 175.800 0.040 0.000 1.113 64 F CA -2.158 55.844 58.000 0.003 0.000 1.056 64 F CB 0.273 39.278 39.000 0.008 0.000 1.289 64 F HN 0.394 nan 8.300 nan 0.000 0.515 65 P HA 0.007 nan 4.420 nan 0.000 0.270 65 P C -1.008 176.419 177.300 0.212 0.000 1.223 65 P CA -0.412 62.820 63.100 0.220 0.000 0.785 65 P CB 0.332 32.140 31.700 0.180 0.000 0.923 66 N N 0.669 119.508 118.700 0.231 0.000 2.444 66 N HA -0.009 4.733 4.740 0.002 0.000 0.255 66 N C 1.506 177.056 175.510 0.066 0.000 1.255 66 N CA 0.155 53.346 53.050 0.234 0.000 0.933 66 N CB -0.053 38.714 38.487 0.466 0.000 1.143 66 N HN 0.470 nan 8.380 nan 0.000 0.453 67 G N 0.524 109.303 108.800 -0.034 0.000 2.556 67 G HA2 -0.423 3.538 3.960 0.002 0.000 0.220 67 G HA3 -0.423 3.538 3.960 0.002 0.000 0.220 67 G C 1.455 176.297 174.900 -0.096 0.000 1.156 67 G CA 2.273 47.277 45.100 -0.160 0.000 0.766 67 G HN 0.839 nan 8.290 nan 0.000 0.583 68 T N -1.024 113.408 114.554 -0.204 0.000 2.833 68 T HA 0.075 4.426 4.350 0.002 0.000 0.269 68 T C 2.392 176.507 174.700 -0.976 0.000 1.054 68 T CA 1.620 63.466 62.100 -0.423 0.000 1.135 68 T CB -0.595 68.074 68.868 -0.332 0.000 0.869 68 T HN 0.330 nan 8.240 nan 0.000 0.466 69 G N 1.953 110.137 108.800 -1.027 0.000 2.414 69 G HA2 -0.029 3.933 3.960 0.002 0.000 0.215 69 G HA3 -0.029 3.933 3.960 0.002 0.000 0.215 69 G C 1.515 176.190 174.900 -0.375 0.000 1.188 69 G CA 0.722 45.198 45.100 -1.039 0.000 0.783 69 G HN 0.511 nan 8.290 nan 0.000 0.537 70 L N 0.895 122.035 121.223 -0.138 0.000 2.042 70 L HA -0.128 4.213 4.340 0.002 0.000 0.210 70 L C 3.396 180.219 176.870 -0.078 0.000 1.076 70 L CA 1.206 56.040 54.840 -0.010 0.000 0.749 70 L CB -0.490 41.651 42.059 0.136 0.000 0.893 70 L HN 0.307 nan 8.230 nan 0.000 0.432 71 A N -0.820 121.948 122.820 -0.086 0.000 1.972 71 A HA -0.163 4.158 4.320 0.002 0.000 0.219 71 A C 2.455 179.872 177.584 -0.278 0.000 1.169 71 A CA 1.852 53.744 52.037 -0.241 0.000 0.635 71 A CB -0.509 18.403 19.000 -0.146 0.000 0.810 71 A HN 0.378 nan 8.150 nan 0.000 0.446 72 S N -0.170 115.431 115.700 -0.165 0.000 2.474 72 S HA -0.115 4.356 4.470 0.002 0.000 0.235 72 S C 2.043 176.740 174.600 0.162 0.000 0.997 72 S CA 1.553 59.786 58.200 0.055 0.000 0.949 72 S CB -0.590 62.665 63.200 0.093 0.000 0.766 72 S HN 0.913 nan 8.310 nan 0.000 0.517 73 T N -0.826 113.761 114.554 0.056 0.000 3.007 73 T HA -0.032 4.319 4.350 0.002 0.000 0.270 73 T C 0.838 175.638 174.700 0.167 0.000 1.107 73 T CA 0.385 62.537 62.100 0.086 0.000 1.118 73 T CB -1.008 67.885 68.868 0.042 0.000 0.889 73 T HN 0.355 nan 8.240 nan 0.000 0.506 74 F N 1.290 121.141 119.950 -0.166 0.000 3.056 74 F HA -0.166 4.363 4.527 0.002 0.000 0.266 74 F C 0.238 176.088 175.800 0.083 0.000 0.957 74 F CA 0.684 58.552 58.000 -0.221 0.000 0.894 74 F CB -1.408 37.403 39.000 -0.315 0.000 0.832 74 F HN 0.314 nan 8.300 nan 0.000 0.745 75 D N 0.121 120.620 120.400 0.165 0.000 2.446 75 D HA 0.265 4.907 4.640 0.002 0.000 0.251 75 D C 1.139 177.482 176.300 0.072 0.000 1.137 75 D CA -0.446 53.639 54.000 0.141 0.000 0.890 75 D CB 0.626 41.474 40.800 0.080 0.000 1.071 75 D HN 0.165 nan 8.370 nan 0.000 0.528 76 R N 1.680 122.225 120.500 0.076 0.000 2.081 76 R HA -0.110 4.232 4.340 0.002 0.000 0.235 76 R C 0.888 177.163 176.300 -0.041 0.000 1.131 76 R CA 1.069 57.152 56.100 -0.028 0.000 0.960 76 R CB 0.172 30.408 30.300 -0.107 0.000 0.856 76 R HN 0.422 nan 8.270 nan 0.000 0.436 77 D N 0.906 121.293 120.400 -0.023 0.000 2.097 77 D HA -0.157 4.485 4.640 0.002 0.000 0.195 77 D C 1.894 178.191 176.300 -0.006 0.000 0.989 77 D CA 0.936 54.925 54.000 -0.019 0.000 0.827 77 D CB -0.208 40.586 40.800 -0.011 0.000 0.966 77 D HN 0.050 nan 8.370 nan 0.000 0.456 78 L N 0.759 121.985 121.223 0.006 0.000 2.083 78 L HA -0.086 4.256 4.340 0.002 0.000 0.209 78 L C 2.212 179.092 176.870 0.017 0.000 1.083 78 L CA 1.260 56.111 54.840 0.018 0.000 0.752 78 L CB -0.479 41.596 42.059 0.027 0.000 0.899 78 L HN 0.003 nan 8.230 nan 0.000 0.433 79 L N -0.738 120.478 121.223 -0.011 0.000 2.093 79 L HA -0.203 4.138 4.340 0.002 0.000 0.208 79 L C 2.549 179.397 176.870 -0.037 0.000 1.085 79 L CA 1.568 56.385 54.840 -0.038 0.000 0.755 79 L CB -0.516 41.473 42.059 -0.117 0.000 0.904 79 L HN 0.428 nan 8.230 nan 0.000 0.435 80 E N -0.254 119.922 120.200 -0.040 0.000 2.077 80 E HA -0.203 4.149 4.350 0.002 0.000 0.193 80 E C 1.973 178.572 176.600 -0.002 0.000 0.989 80 E CA 1.676 58.057 56.400 -0.032 0.000 0.800 80 E CB 0.134 29.811 29.700 -0.038 0.000 0.746 80 E HN 0.331 nan 8.360 nan 0.000 0.452 81 T N 0.396 114.958 114.554 0.014 0.000 2.788 81 T HA -0.135 4.217 4.350 0.002 0.000 0.268 81 T C 1.757 176.505 174.700 0.081 0.000 1.044 81 T CA 1.117 63.242 62.100 0.041 0.000 1.139 81 T CB -0.239 68.653 68.868 0.039 0.000 0.867 81 T HN 0.332 nan 8.240 nan 0.000 0.454 82 A N 1.266 124.141 122.820 0.091 0.000 1.933 82 A HA 0.111 4.432 4.320 0.002 0.000 0.218 82 A C 2.608 180.221 177.584 0.048 0.000 1.175 82 A CA 1.835 53.973 52.037 0.168 0.000 0.628 82 A CB -1.293 17.797 19.000 0.150 0.000 0.814 82 A HN 0.510 nan 8.150 nan 0.000 0.444 83 G N -0.265 108.525 108.800 -0.016 0.000 2.418 83 G HA2 -0.237 3.724 3.960 0.002 0.000 0.217 83 G HA3 -0.237 3.724 3.960 0.002 0.000 0.217 83 G C 1.671 176.565 174.900 -0.009 0.000 1.158 83 G CA 1.177 46.245 45.100 -0.053 0.000 0.771 83 G HN 0.570 nan 8.290 nan 0.000 0.545 84 K N -0.652 119.765 120.400 0.028 0.000 2.032 84 K HA 0.014 4.336 4.320 0.002 0.000 0.209 84 K C 1.372 178.019 176.600 0.078 0.000 1.048 84 K CA 0.174 56.488 56.287 0.046 0.000 0.927 84 K CB -0.319 32.207 32.500 0.044 0.000 0.712 84 K HN 0.283 nan 8.250 nan 0.000 0.441 88 K N 0.781 121.219 120.400 0.063 0.000 2.057 88 K HA -0.069 4.252 4.320 0.002 0.000 0.207 88 K C 1.563 178.207 176.600 0.073 0.000 1.049 88 K CA 1.414 57.739 56.287 0.064 0.000 0.931 88 K CB -0.082 32.460 32.500 0.070 0.000 0.714 88 K HN 0.479 nan 8.250 nan 0.000 0.440 89 E N 0.661 120.922 120.200 0.101 0.000 2.118 89 E HA -0.187 4.164 4.350 0.002 0.000 0.195 89 E C 2.127 178.757 176.600 0.051 0.000 0.992 89 E CA 1.083 57.545 56.400 0.103 0.000 0.804 89 E CB -0.166 29.623 29.700 0.148 0.000 0.741 89 E HN 0.159 nan 8.360 nan 0.000 0.458 90 S N 0.348 116.064 115.700 0.028 0.000 2.371 90 S HA -0.062 4.410 4.470 0.002 0.000 0.224 90 S C 2.116 176.722 174.600 0.010 0.000 1.029 90 S CA 0.438 58.636 58.200 -0.002 0.000 0.978 90 S CB -0.133 63.059 63.200 -0.014 0.000 0.833 90 S HN 0.157 nan 8.310 nan 0.000 0.466 91 I N 1.887 122.471 120.570 0.024 0.000 2.194 91 I HA -0.223 3.949 4.170 0.002 0.000 0.246 91 I C 2.774 178.908 176.117 0.028 0.000 1.093 91 I CA 1.288 62.603 61.300 0.025 0.000 1.355 91 I CB -0.592 37.423 38.000 0.026 0.000 1.046 91 I HN 0.375 nan 8.210 nan 0.000 0.413 92 A N 0.289 123.131 122.820 0.038 0.000 2.024 92 A HA -0.165 4.157 4.320 0.002 0.000 0.220 92 A C 2.026 179.631 177.584 0.035 0.000 1.164 92 A CA 1.433 53.496 52.037 0.044 0.000 0.643 92 A CB -0.238 18.803 19.000 0.069 0.000 0.806 92 A HN 0.250 nan 8.150 nan 0.000 0.451 93 K N -0.586 119.825 120.400 0.018 0.000 2.404 93 K HA 0.098 4.419 4.320 0.002 0.000 0.194 93 K C -0.123 176.482 176.600 0.007 0.000 1.023 93 K CA 0.173 56.459 56.287 -0.001 0.000 1.094 93 K CB -0.493 31.980 32.500 -0.044 0.000 0.841 93 K HN 0.633 nan 8.250 nan 0.000 0.523 94 N N 0.735 119.447 118.700 0.020 0.000 2.716 94 N HA -0.220 4.522 4.740 0.002 0.000 0.250 94 N C -0.795 174.733 175.510 0.029 0.000 1.033 94 N CA 0.499 53.568 53.050 0.032 0.000 0.727 94 N CB -0.584 37.933 38.487 0.050 0.000 0.950 94 N HN 0.308 nan 8.380 nan 0.000 0.541 95 A N -0.237 122.586 122.820 0.004 0.000 2.260 95 A HA 0.741 5.062 4.320 0.002 0.000 0.314 95 A C 0.992 178.586 177.584 0.017 0.000 1.257 95 A CA 0.109 52.143 52.037 -0.005 0.000 0.871 95 A CB 1.147 20.115 19.000 -0.054 0.000 1.166 95 A HN 0.394 nan 8.150 nan 0.000 0.522 96 A N 2.484 125.328 122.820 0.040 0.000 2.195 96 A HA 0.492 4.813 4.320 0.002 0.000 0.210 96 A C 0.356 177.992 177.584 0.086 0.000 1.165 96 A CA 0.556 52.631 52.037 0.063 0.000 0.806 96 A CB 0.143 19.186 19.000 0.072 0.000 0.847 96 A HN 0.892 nan 8.150 nan 0.000 0.482 97 V N 0.926 120.875 119.914 0.058 0.000 2.668 97 V HA 0.372 4.493 4.120 0.002 0.000 0.304 97 V C -0.868 175.227 176.094 0.002 0.000 1.071 97 V CA -0.461 61.868 62.300 0.049 0.000 0.894 97 V CB 1.762 33.625 31.823 0.067 0.000 1.008 97 V HN 0.319 nan 8.190 nan 0.000 0.425 98 I N 4.908 125.465 120.570 -0.022 0.000 2.392 98 I HA 0.393 4.565 4.170 0.002 0.000 0.295 98 I C -0.147 175.921 176.117 -0.081 0.000 0.985 98 I CA -0.555 60.705 61.300 -0.068 0.000 1.221 98 I CB 1.652 39.602 38.000 -0.084 0.000 1.366 98 I HN 0.430 nan 8.210 nan 0.000 0.467 99 L N 6.557 127.712 121.223 -0.114 0.000 2.422 99 L HA 0.568 4.909 4.340 0.002 0.000 0.256 99 L C 0.447 177.221 176.870 -0.161 0.000 1.202 99 L CA -0.177 54.586 54.840 -0.128 0.000 1.119 99 L CB -0.614 41.347 42.059 -0.162 0.000 1.383 99 L HN 0.815 nan 8.230 nan 0.000 0.411 100 G N 1.571 110.280 108.800 -0.152 0.000 2.356 100 G HA2 0.393 4.355 3.960 0.002 0.000 0.294 100 G HA3 0.393 4.355 3.960 0.002 0.000 0.294 100 G C -3.333 171.481 174.900 -0.144 0.000 1.423 100 G CA -0.786 44.204 45.100 -0.184 0.000 0.806 100 G HN -0.045 nan 8.290 nan 0.000 0.527 101 P HA 0.390 nan 4.420 nan 0.000 0.274 101 P C -0.140 176.981 177.300 -0.299 0.000 1.246 101 P CA 0.007 62.993 63.100 -0.190 0.000 0.795 101 P CB 0.755 32.457 31.700 0.004 0.000 1.006 102 T N 0.472 114.760 114.554 -0.443 0.000 2.799 102 T HA 0.421 4.772 4.350 0.002 0.000 0.286 102 T C 0.358 174.769 174.700 -0.480 0.000 0.973 102 T CA 0.004 61.835 62.100 -0.449 0.000 1.035 102 T CB 0.319 68.937 68.868 -0.416 0.000 0.932 102 T HN 0.339 nan 8.240 nan 0.000 0.469 103 T N 3.047 117.421 114.554 -0.300 0.000 3.884 103 T HA 0.250 4.602 4.350 0.002 0.000 0.284 103 T C 0.051 174.743 174.700 -0.013 0.000 0.961 103 T CA -0.557 61.423 62.100 -0.199 0.000 1.071 103 T CB -0.619 68.127 68.868 -0.204 0.000 1.121 103 T HN 0.539 nan 8.240 nan 0.000 0.496 107 R N -0.774 119.812 120.500 0.144 0.000 2.120 107 R HA 0.116 4.458 4.340 0.002 0.000 0.234 107 R C 0.573 176.863 176.300 -0.017 0.000 1.123 107 R CA 1.411 57.556 56.100 0.075 0.000 0.975 107 R CB 0.210 30.549 30.300 0.066 0.000 0.866 107 R HN 0.269 nan 8.270 nan 0.000 0.446 108 G N 0.313 109.072 108.800 -0.068 0.000 2.569 108 G HA2 0.391 4.353 3.960 0.002 0.000 0.300 108 G HA3 0.391 4.353 3.960 0.002 0.000 0.300 108 G C -2.320 172.329 174.900 -0.419 0.000 1.269 108 G CA -1.588 43.292 45.100 -0.367 0.000 0.959 108 G HN -0.135 nan 8.290 nan 0.000 0.478 109 P HA 0.011 nan 4.420 nan 0.000 0.229 109 P C 1.228 178.366 177.300 -0.271 0.000 1.160 109 P CA 0.496 63.440 63.100 -0.261 0.000 0.777 109 P CB 0.396 31.951 31.700 -0.243 0.000 0.814 110 L N -0.735 120.190 121.223 -0.497 0.000 2.611 110 L HA 0.246 4.588 4.340 0.002 0.000 0.229 110 L C 1.334 178.284 176.870 0.133 0.000 1.137 110 L CA -0.388 54.330 54.840 -0.204 0.000 0.901 110 L CB -0.687 41.264 42.059 -0.181 0.000 1.098 110 L HN -0.084 nan 8.230 nan 0.000 0.456 111 G N -0.226 108.703 108.800 0.214 0.000 2.343 111 G HA2 0.238 4.199 3.960 0.002 0.000 0.254 111 G HA3 0.238 4.199 3.960 0.002 0.000 0.254 111 G C 1.155 176.235 174.900 0.300 0.000 1.277 111 G CA 0.171 45.560 45.100 0.482 0.000 0.909 111 G HN 0.301 nan 8.290 nan 0.000 0.502 112 G N 1.963 110.925 108.800 0.269 0.000 2.507 112 G HA2 -0.246 3.716 3.960 0.002 0.000 0.221 112 G HA3 -0.246 3.716 3.960 0.002 0.000 0.221 112 G C 1.469 176.520 174.900 0.252 0.000 1.119 112 G CA 0.444 45.668 45.100 0.206 0.000 0.751 112 G HN 0.626 nan 8.290 nan 0.000 0.574 113 R N 0.175 120.759 120.500 0.140 0.000 2.546 113 R HA 0.215 4.557 4.340 0.002 0.000 0.320 113 R C 2.330 178.520 176.300 -0.183 0.000 1.021 113 R CA 0.249 56.285 56.100 -0.106 0.000 1.088 113 R CB 0.501 30.728 30.300 -0.122 0.000 1.278 113 R HN 0.255 nan 8.270 nan 0.000 0.557 114 G N 1.629 110.467 108.800 0.063 0.000 2.469 114 G HA2 -0.326 3.635 3.960 0.002 0.000 0.220 114 G HA3 -0.326 3.635 3.960 0.002 0.000 0.220 114 G C 1.286 176.204 174.900 0.031 0.000 1.136 114 G CA 0.855 45.996 45.100 0.068 0.000 0.759 114 G HN 0.467 nan 8.290 nan 0.000 0.562 115 F N 0.870 120.888 119.950 0.114 0.000 2.250 115 F HA 0.035 4.563 4.527 0.003 0.000 0.301 115 F C 2.059 177.885 175.800 0.043 0.000 1.077 115 F CA 1.583 59.661 58.000 0.130 0.000 1.348 115 F CB -0.299 38.855 39.000 0.256 0.000 1.040 115 F HN 0.312 nan 8.300 nan 0.000 0.509 116 E N 0.492 120.115 120.200 -0.962 0.000 2.230 116 E HA 0.023 4.375 4.350 0.002 0.000 0.192 116 E C 0.821 177.100 176.600 -0.535 0.000 0.987 116 E CA 0.333 56.207 56.400 -0.877 0.000 0.841 116 E CB 0.170 29.214 29.700 -1.095 0.000 0.783 116 E HN 0.456 nan 8.360 nan 0.000 0.481 117 S N -0.748 114.691 115.700 -0.436 0.000 2.646 117 S HA 0.224 4.695 4.470 0.002 0.000 0.273 117 S C 0.473 174.809 174.600 -0.440 0.000 1.168 117 S CA -0.755 57.166 58.200 -0.464 0.000 1.013 117 S CB 0.347 63.415 63.200 -0.220 0.000 1.098 117 S HN 0.129 nan 8.310 nan 0.000 0.544 118 F N 0.776 120.654 119.950 -0.119 0.000 2.298 118 F HA 0.390 4.919 4.527 0.002 0.000 0.282 118 F C 1.386 177.130 175.800 -0.093 0.000 1.045 118 F CA 0.277 58.195 58.000 -0.137 0.000 1.280 118 F CB -0.173 38.730 39.000 -0.161 0.000 1.114 118 F HN 0.426 nan 8.300 nan 0.000 0.546 119 S N -1.083 114.719 115.700 0.171 0.000 2.552 119 S HA 0.194 4.666 4.470 0.002 0.000 0.272 119 S C 0.241 174.925 174.600 0.140 0.000 1.150 119 S CA -0.541 57.760 58.200 0.169 0.000 0.849 119 S CB 1.027 64.332 63.200 0.175 0.000 1.113 119 S HN 0.410 nan 8.310 nan 0.000 0.458 120 E N 1.277 121.579 120.200 0.171 0.000 2.418 120 E HA -0.043 4.308 4.350 0.002 0.000 0.197 120 E C -0.004 176.614 176.600 0.031 0.000 1.026 120 E CA 0.571 57.033 56.400 0.104 0.000 0.862 120 E CB -0.051 29.741 29.700 0.154 0.000 0.799 120 E HN 0.478 nan 8.360 nan 0.000 0.518 121 D N 1.325 121.760 120.400 0.058 0.000 2.232 121 D HA 0.099 4.741 4.640 0.002 0.000 0.242 121 D C -1.607 174.735 176.300 0.070 0.000 1.093 121 D CA -2.689 51.327 54.000 0.027 0.000 0.845 121 D CB 1.678 42.480 40.800 0.004 0.000 1.124 121 D HN -0.213 nan 8.370 nan 0.000 0.467 122 P HA -0.119 nan 4.420 nan 0.000 0.225 122 P C 0.963 178.323 177.300 0.100 0.000 1.156 122 P CA 0.650 63.790 63.100 0.067 0.000 0.787 122 P CB 0.068 31.809 31.700 0.068 0.000 0.802 123 Y N 1.176 121.523 120.300 0.078 0.000 2.163 123 Y HA -0.129 4.422 4.550 0.002 0.000 0.288 123 Y C 2.303 178.265 175.900 0.103 0.000 1.136 123 Y CA 1.134 59.294 58.100 0.100 0.000 1.147 123 Y CB -1.000 37.547 38.460 0.145 0.000 0.987 123 Y HN -0.239 nan 8.280 nan 0.000 0.509 124 L N 0.744 122.018 121.223 0.086 0.000 2.046 124 L HA -0.076 4.265 4.340 0.002 0.000 0.208 124 L C 2.413 179.146 176.870 -0.228 0.000 1.077 124 L CA 2.191 56.946 54.840 -0.142 0.000 0.747 124 L CB -1.448 40.474 42.059 -0.228 0.000 0.896 124 L HN 0.256 nan 8.230 nan 0.000 0.432 125 A N -0.244 122.519 122.820 -0.094 0.000 1.883 125 A HA 0.024 4.345 4.320 0.002 0.000 0.217 125 A C 1.686 179.181 177.584 -0.148 0.000 1.186 125 A CA 1.279 53.293 52.037 -0.039 0.000 0.624 125 A CB -1.758 17.276 19.000 0.056 0.000 0.822 125 A HN 0.536 nan 8.150 nan 0.000 0.444 129 T N 0.706 114.891 114.554 -0.615 0.000 2.620 129 T HA -0.244 4.107 4.350 0.002 0.000 0.267 129 T C 2.133 176.734 174.700 -0.167 0.000 1.044 129 T CA 2.739 64.753 62.100 -0.143 0.000 1.161 129 T CB -0.451 68.361 68.868 -0.093 0.000 0.862 129 T HN 0.700 nan 8.240 nan 0.000 0.438 130 S N 0.340 115.922 115.700 -0.197 0.000 2.368 130 S HA -0.131 4.340 4.470 0.002 0.000 0.225 130 S C 2.363 176.885 174.600 -0.131 0.000 1.030 130 S CA 1.773 59.889 58.200 -0.139 0.000 0.999 130 S CB -0.530 62.592 63.200 -0.130 0.000 0.844 130 S HN 0.455 nan 8.310 nan 0.000 0.459 131 S N 0.694 116.288 115.700 -0.178 0.000 2.356 131 S HA -0.070 4.401 4.470 0.002 0.000 0.223 131 S C 1.909 176.442 174.600 -0.111 0.000 1.032 131 S CA 1.471 59.583 58.200 -0.146 0.000 1.005 131 S CB -0.576 62.522 63.200 -0.170 0.000 0.867 131 S HN 0.434 nan 8.310 nan 0.000 0.449 132 V N 1.399 121.236 119.914 -0.127 0.000 2.343 132 V HA -0.123 3.998 4.120 0.002 0.000 0.247 132 V C 2.296 178.354 176.094 -0.060 0.000 1.051 132 V CA 1.315 63.568 62.300 -0.078 0.000 1.036 132 V CB -0.688 31.118 31.823 -0.029 0.000 0.654 132 V HN 0.318 nan 8.190 nan 0.000 0.451 133 V N -0.285 119.592 119.914 -0.060 0.000 2.261 133 V HA -0.287 3.834 4.120 0.002 0.000 0.246 133 V C 2.436 178.514 176.094 -0.026 0.000 1.047 133 V CA 2.114 64.386 62.300 -0.046 0.000 1.015 133 V CB -0.689 31.104 31.823 -0.050 0.000 0.642 133 V HN 0.516 nan 8.190 nan 0.000 0.446 134 K N 0.240 120.623 120.400 -0.029 0.000 2.113 134 K HA -0.109 4.213 4.320 0.002 0.000 0.208 134 K C 1.342 177.941 176.600 -0.001 0.000 1.047 134 K CA 1.089 57.369 56.287 -0.010 0.000 0.928 134 K CB -0.620 31.866 32.500 -0.024 0.000 0.716 134 K HN 0.596 nan 8.250 nan 0.000 0.446 138 G N 1.329 110.180 108.800 0.085 0.000 2.443 138 G HA2 -0.184 3.777 3.960 0.002 0.000 0.219 138 G HA3 -0.184 3.777 3.960 0.002 0.000 0.219 138 G C 1.180 176.107 174.900 0.044 0.000 1.131 138 G CA 0.615 45.750 45.100 0.058 0.000 0.775 138 G HN 0.074 nan 8.290 nan 0.000 0.547 139 E N 0.324 120.552 120.200 0.047 0.000 2.489 139 E HA 0.141 4.492 4.350 0.002 0.000 0.193 139 E C 1.743 178.358 176.600 0.025 0.000 1.057 139 E CA 0.521 56.940 56.400 0.032 0.000 0.866 139 E CB -0.081 29.640 29.700 0.034 0.000 0.916 139 E HN 0.429 nan 8.360 nan 0.000 0.500 140 G N 1.445 110.276 108.800 0.052 0.000 2.136 140 G HA2 -0.216 3.746 3.960 0.002 0.000 0.242 140 G HA3 -0.216 3.746 3.960 0.002 0.000 0.242 140 G C 0.127 175.085 174.900 0.097 0.000 0.989 140 G CA -0.113 44.974 45.100 -0.022 0.000 0.682 140 G HN 0.177 nan 8.290 nan 0.000 0.522 141 I N 1.026 121.718 120.570 0.202 0.000 2.377 141 I HA 0.650 4.822 4.170 0.002 0.000 0.293 141 I C 0.853 177.129 176.117 0.265 0.000 0.987 141 I CA -0.952 60.475 61.300 0.211 0.000 1.185 141 I CB 1.345 39.401 38.000 0.093 0.000 1.341 141 I HN 0.313 nan 8.210 nan 0.000 0.455 142 A N 5.283 128.250 122.820 0.245 0.000 2.409 142 A HA 0.663 4.985 4.320 0.002 0.000 0.262 142 A C 0.379 177.940 177.584 -0.039 0.000 1.113 142 A CA -0.310 51.709 52.037 -0.032 0.000 0.790 142 A CB 0.347 19.312 19.000 -0.060 0.000 1.046 142 A HN 0.861 nan 8.150 nan 0.000 0.496 143 A N 2.104 124.875 122.820 -0.082 0.000 2.302 143 A HA 0.676 4.998 4.320 0.002 0.000 0.285 143 A C 0.293 177.853 177.584 -0.040 0.000 1.105 143 A CA -0.236 51.767 52.037 -0.057 0.000 0.816 143 A CB 0.365 19.331 19.000 -0.056 0.000 1.067 143 A HN 0.848 nan 8.150 nan 0.000 0.489 144 T N 1.824 116.351 114.554 -0.045 0.000 2.991 144 T HA 0.393 4.744 4.350 0.002 0.000 0.347 144 T C -0.431 174.233 174.700 -0.060 0.000 1.122 144 T CA -0.305 61.779 62.100 -0.025 0.000 1.062 144 T CB 0.477 69.332 68.868 -0.022 0.000 1.043 144 T HN 0.432 nan 8.240 nan 0.000 0.491 145 V N 5.134 125.019 119.914 -0.048 0.000 2.572 145 V HA 0.397 4.518 4.120 0.002 0.000 0.291 145 V C 0.462 176.575 176.094 0.031 0.000 1.039 145 V CA -0.152 62.099 62.300 -0.083 0.000 1.055 145 V CB 0.187 31.930 31.823 -0.133 0.000 0.969 145 V HN 0.833 nan 8.190 nan 0.000 0.482 146 K N 3.351 123.703 120.400 -0.080 0.000 2.509 146 K HA 0.656 4.977 4.320 0.002 0.000 0.266 146 K C -1.550 174.973 176.600 -0.129 0.000 0.987 146 K CA -1.073 55.144 56.287 -0.118 0.000 0.868 146 K CB 2.003 34.203 32.500 -0.499 0.000 1.421 146 K HN 0.643 nan 8.250 nan 0.000 0.444 147 H N 0.539 119.782 119.070 0.289 0.000 2.511 147 H HA 0.309 4.866 4.556 0.002 0.000 0.328 147 H C -1.582 173.898 175.328 0.253 0.000 1.044 147 H CA -0.557 55.615 56.048 0.207 0.000 1.212 147 H CB 1.074 30.866 29.762 0.050 0.000 1.428 147 H HN 0.442 nan 8.280 nan 0.000 0.483 148 F N 4.892 124.833 119.950 -0.015 0.000 2.434 148 F HA 0.422 4.950 4.527 0.002 0.000 0.358 148 F C -0.566 175.108 175.800 -0.209 0.000 1.136 148 F CA -0.175 57.566 58.000 -0.432 0.000 1.157 148 F CB -0.092 38.554 39.000 -0.591 0.000 1.167 148 F HN 0.337 nan 8.300 nan 0.000 0.539 149 V N 4.877 124.578 119.914 -0.356 0.000 3.242 149 V HA 0.345 4.467 4.120 0.002 0.000 0.298 149 V C -0.346 175.646 176.094 -0.169 0.000 1.352 149 V CA -0.823 61.267 62.300 -0.350 0.000 1.052 149 V CB 1.869 33.208 31.823 -0.807 0.000 1.101 149 V HN 0.805 nan 8.190 nan 0.000 0.446 150 C N 2.751 122.036 119.300 -0.025 0.000 4.456 150 C HA -0.103 4.358 4.460 0.002 0.000 0.288 150 C C 0.772 175.769 174.990 0.012 0.000 1.374 150 C CA 0.964 59.946 59.018 -0.061 0.000 1.956 150 C CB -2.618 24.939 27.740 -0.306 0.000 1.255 150 C HN 1.032 nan 8.230 nan 0.000 0.788 151 N N 1.182 119.925 118.700 0.072 0.000 3.245 151 N HA 0.179 4.920 4.740 0.002 0.000 0.296 151 N C 0.558 176.119 175.510 0.085 0.000 1.254 151 N CA 0.064 53.147 53.050 0.055 0.000 1.190 151 N CB 0.064 38.569 38.487 0.030 0.000 1.460 151 N HN 0.485 nan 8.380 nan 0.000 0.538 152 D N 0.802 121.245 120.400 0.072 0.000 2.363 152 D HA 0.117 4.758 4.640 0.002 0.000 0.214 152 D C 0.039 176.334 176.300 -0.007 0.000 1.093 152 D CA 0.108 54.165 54.000 0.096 0.000 0.837 152 D CB 0.448 41.337 40.800 0.149 0.000 0.948 152 D HN 0.406 nan 8.370 nan 0.000 0.507 153 L N -3.287 117.863 121.223 -0.121 0.000 2.765 153 L HA 0.489 4.830 4.340 0.002 0.000 0.263 153 L C 0.259 177.079 176.870 -0.084 0.000 1.068 153 L CA -0.728 53.982 54.840 -0.217 0.000 0.903 153 L CB 1.312 42.881 42.059 -0.816 0.000 1.512 153 L HN -0.476 nan 8.230 nan 0.000 0.404 154 E N -0.556 119.632 120.200 -0.019 0.000 2.389 154 E HA 0.054 4.405 4.350 0.002 0.000 0.199 154 E C -0.460 176.169 176.600 0.049 0.000 0.978 154 E CA 0.399 56.825 56.400 0.044 0.000 0.912 154 E CB 0.172 29.927 29.700 0.090 0.000 0.907 154 E HN 0.845 nan 8.360 nan 0.000 0.494 155 D N 1.822 122.231 120.400 0.014 0.000 2.426 155 D HA -0.075 4.566 4.640 0.002 0.000 0.261 155 D C -0.163 176.148 176.300 0.018 0.000 1.245 155 D CA 0.643 54.660 54.000 0.029 0.000 0.917 155 D CB 0.113 40.903 40.800 -0.016 0.000 1.123 155 D HN -0.052 nan 8.370 nan 0.000 0.508 156 Q N 1.323 121.160 119.800 0.060 0.000 2.494 156 Q HA -0.304 4.038 4.340 0.002 0.000 0.272 156 Q C 1.130 177.188 176.000 0.097 0.000 1.145 156 Q CA 0.911 56.756 55.803 0.070 0.000 0.943 156 Q CB -0.919 27.834 28.738 0.025 0.000 1.338 156 Q HN 0.750 nan 8.270 nan 0.000 0.492 157 R N -0.841 119.724 120.500 0.108 0.000 2.193 157 R HA -0.133 4.209 4.340 0.002 0.000 0.229 157 R C 1.224 177.586 176.300 0.104 0.000 1.110 157 R CA 1.752 57.894 56.100 0.070 0.000 0.988 157 R CB -0.429 29.890 30.300 0.032 0.000 0.871 157 R HN 0.298 nan 8.270 nan 0.000 0.458 158 F N 1.836 121.782 119.950 -0.007 0.000 2.365 158 F HA -0.087 4.442 4.527 0.002 0.000 0.300 158 F C 2.277 178.159 175.800 0.138 0.000 1.090 158 F CA 1.444 59.500 58.000 0.094 0.000 1.408 158 F CB 0.246 39.272 39.000 0.044 0.000 1.060 158 F HN 0.236 nan 8.300 nan 0.000 0.534 159 S N -2.899 112.932 115.700 0.218 0.000 2.604 159 S HA 0.122 4.594 4.470 0.002 0.000 0.235 159 S C 0.709 175.286 174.600 -0.038 0.000 1.043 159 S CA -0.380 57.871 58.200 0.085 0.000 0.997 159 S CB -0.306 62.938 63.200 0.073 0.000 0.956 159 S HN 0.014 nan 8.310 nan 0.000 0.535 160 S N 3.155 118.847 115.700 -0.013 0.000 2.544 160 S HA 0.226 4.697 4.470 0.002 0.000 0.290 160 S C -0.192 174.341 174.600 -0.112 0.000 1.276 160 S CA -0.268 57.899 58.200 -0.055 0.000 1.075 160 S CB -0.312 62.865 63.200 -0.040 0.000 0.849 160 S HN 0.519 nan 8.310 nan 0.000 0.494 161 N N 3.688 122.316 118.700 -0.121 0.000 2.527 161 N HA 0.213 4.955 4.740 0.002 0.000 0.236 161 N C -1.062 174.356 175.510 -0.154 0.000 0.999 161 N CA -0.239 52.713 53.050 -0.162 0.000 0.935 161 N CB 0.696 39.093 38.487 -0.151 0.000 1.132 161 N HN 0.389 nan 8.380 nan 0.000 0.511 162 S N 4.053 119.628 115.700 -0.209 0.000 2.443 162 S HA 0.283 4.754 4.470 0.002 0.000 0.284 162 S C 0.554 174.885 174.600 -0.449 0.000 1.206 162 S CA -0.358 57.647 58.200 -0.325 0.000 1.074 162 S CB -0.100 62.835 63.200 -0.442 0.000 0.963 162 S HN 0.457 nan 8.310 nan 0.000 0.501 163 I N 4.215 124.562 120.570 -0.373 0.000 2.307 163 I HA 0.450 4.622 4.170 0.002 0.000 0.289 163 I C -0.278 175.613 176.117 -0.376 0.000 1.021 163 I CA -0.435 60.691 61.300 -0.291 0.000 1.224 163 I CB 1.097 39.017 38.000 -0.133 0.000 1.376 163 I HN 0.294 nan 8.210 nan 0.000 0.470 164 V N 5.981 125.657 119.914 -0.397 0.000 2.851 164 V HA 0.441 4.563 4.120 0.002 0.000 0.307 164 V C 0.006 175.978 176.094 -0.203 0.000 1.129 164 V CA -0.400 61.674 62.300 -0.377 0.000 0.932 164 V CB 2.586 33.943 31.823 -0.777 0.000 1.024 164 V HN 0.818 nan 8.190 nan 0.000 0.426 165 S N 3.393 119.040 115.700 -0.088 0.000 2.584 165 S HA 0.190 4.662 4.470 0.002 0.000 0.270 165 S C 0.959 175.509 174.600 -0.084 0.000 1.346 165 S CA 0.786 58.953 58.200 -0.055 0.000 1.018 165 S CB 1.235 64.439 63.200 0.007 0.000 0.899 165 S HN 1.033 nan 8.310 nan 0.000 0.542 166 E N 1.246 121.396 120.200 -0.083 0.000 2.110 166 E HA -0.182 4.170 4.350 0.002 0.000 0.193 166 E C 2.172 178.651 176.600 -0.202 0.000 0.988 166 E CA 1.595 57.901 56.400 -0.156 0.000 0.804 166 E CB -0.205 29.441 29.700 -0.091 0.000 0.745 166 E HN 0.756 nan 8.360 nan 0.000 0.458 167 R N -0.302 120.182 120.500 -0.028 0.000 2.073 167 R HA -0.120 4.222 4.340 0.002 0.000 0.234 167 R C 2.200 178.479 176.300 -0.036 0.000 1.134 167 R CA 1.485 57.596 56.100 0.018 0.000 0.952 167 R CB -0.440 29.938 30.300 0.130 0.000 0.850 167 R HN 0.248 nan 8.270 nan 0.000 0.433 168 A N 1.223 124.056 122.820 0.021 0.000 1.902 168 A HA -0.174 4.148 4.320 0.002 0.000 0.217 168 A C 2.063 179.766 177.584 0.198 0.000 1.181 168 A CA 1.314 53.421 52.037 0.116 0.000 0.623 168 A CB -0.655 18.476 19.000 0.217 0.000 0.818 168 A HN 0.405 nan 8.150 nan 0.000 0.443 169 L N -0.197 121.070 121.223 0.074 0.000 2.012 169 L HA -0.188 4.153 4.340 0.002 0.000 0.210 169 L C 2.476 179.353 176.870 0.012 0.000 1.073 169 L CA 1.991 56.864 54.840 0.055 0.000 0.748 169 L CB -0.489 41.474 42.059 -0.159 0.000 0.891 169 L HN 0.274 nan 8.230 nan 0.000 0.431 170 R N -0.110 120.263 120.500 -0.212 0.000 2.066 170 R HA -0.109 4.232 4.340 0.002 0.000 0.232 170 R C 2.164 178.509 176.300 0.074 0.000 1.131 170 R CA 1.866 57.814 56.100 -0.254 0.000 0.955 170 R CB -0.580 29.098 30.300 -1.037 0.000 0.851 170 R HN 0.596 nan 8.270 nan 0.000 0.432 171 E N -0.333 119.903 120.200 0.060 0.000 2.190 171 E HA 0.020 4.371 4.350 0.002 0.000 0.191 171 E C 1.787 178.456 176.600 0.115 0.000 0.978 171 E CA 0.473 57.004 56.400 0.218 0.000 0.839 171 E CB 0.294 30.092 29.700 0.163 0.000 0.787 171 E HN 0.173 nan 8.360 nan 0.000 0.473 172 I N -0.723 119.829 120.570 -0.030 0.000 3.132 172 I HA -0.047 4.125 4.170 0.002 0.000 0.255 172 I C 1.783 177.722 176.117 -0.296 0.000 1.118 172 I CA 0.973 62.098 61.300 -0.292 0.000 1.463 172 I CB -1.042 36.539 38.000 -0.698 0.000 1.356 172 I HN 0.058 nan 8.210 nan 0.000 0.463 173 Y N 1.027 121.415 120.300 0.148 0.000 2.301 173 Y HA 0.149 4.700 4.550 0.002 0.000 0.295 173 Y C 2.516 178.579 175.900 0.271 0.000 1.119 173 Y CA 0.604 58.813 58.100 0.181 0.000 1.162 173 Y CB -0.462 38.066 38.460 0.114 0.000 1.046 173 Y HN -0.070 nan 8.280 nan 0.000 0.538 174 L N -0.100 121.339 121.223 0.359 0.000 2.217 174 L HA -0.116 4.226 4.340 0.002 0.000 0.211 174 L C 2.327 179.539 176.870 0.571 0.000 1.107 174 L CA 1.010 56.138 54.840 0.479 0.000 0.783 174 L CB -0.246 42.049 42.059 0.395 0.000 0.919 174 L HN 0.162 nan 8.230 nan 0.000 0.442 175 E N 0.980 121.407 120.200 0.378 0.000 2.058 175 E HA -0.180 4.171 4.350 0.002 0.000 0.194 175 E C -0.663 176.042 176.600 0.175 0.000 0.997 175 E CA 1.611 58.180 56.400 0.282 0.000 0.801 175 E CB -1.022 28.825 29.700 0.245 0.000 0.746 175 E HN 0.260 nan 8.360 nan 0.000 0.450 176 P HA -0.110 nan 4.420 nan 0.000 0.218 176 P C 1.015 178.262 177.300 -0.089 0.000 1.149 176 P CA 1.165 64.256 63.100 -0.015 0.000 0.817 176 P CB -0.208 31.450 31.700 -0.071 0.000 0.785 177 F N 0.338 120.349 119.950 0.100 0.000 2.102 177 F HA -0.078 4.450 4.527 0.002 0.000 0.298 177 F C 2.930 178.639 175.800 -0.152 0.000 1.105 177 F CA 1.267 59.311 58.000 0.074 0.000 1.239 177 F CB -0.900 38.311 39.000 0.351 0.000 0.991 177 F HN -0.208 nan 8.300 nan 0.000 0.474 178 R N 0.751 121.184 120.500 -0.112 0.000 2.096 178 R HA -0.191 4.151 4.340 0.002 0.000 0.240 178 R C 2.141 178.162 176.300 -0.466 0.000 1.139 178 R CA 1.634 57.249 56.100 -0.808 0.000 0.952 178 R CB -0.569 29.377 30.300 -0.592 0.000 0.854 178 R HN 0.330 nan 8.270 nan 0.000 0.436 179 L N -0.193 120.899 121.223 -0.218 0.000 2.072 179 L HA -0.086 4.255 4.340 0.002 0.000 0.205 179 L C 2.725 179.533 176.870 -0.104 0.000 1.079 179 L CA 1.152 55.920 54.840 -0.120 0.000 0.752 179 L CB -0.520 41.512 42.059 -0.045 0.000 0.906 179 L HN 0.299 nan 8.230 nan 0.000 0.436 180 A N -0.282 122.457 122.820 -0.136 0.000 1.908 180 A HA -0.178 4.144 4.320 0.002 0.000 0.218 180 A C 2.333 179.838 177.584 -0.132 0.000 1.181 180 A CA 1.991 53.951 52.037 -0.128 0.000 0.627 180 A CB -0.886 18.011 19.000 -0.171 0.000 0.818 180 A HN 0.200 nan 8.150 nan 0.000 0.445 181 V N 0.098 119.893 119.914 -0.198 0.000 2.358 181 V HA -0.246 3.876 4.120 0.002 0.000 0.246 181 V C 2.549 178.558 176.094 -0.142 0.000 1.047 181 V CA 2.359 64.564 62.300 -0.159 0.000 1.035 181 V CB -0.592 31.105 31.823 -0.210 0.000 0.658 181 V HN 0.709 nan 8.190 nan 0.000 0.452 182 K N -1.090 119.129 120.400 -0.302 0.000 2.097 182 K HA -0.179 4.143 4.320 0.002 0.000 0.205 182 K C 2.051 178.395 176.600 -0.428 0.000 1.050 182 K CA 1.524 57.560 56.287 -0.418 0.000 0.938 182 K CB -0.058 32.053 32.500 -0.648 0.000 0.718 182 K HN 0.568 nan 8.250 nan 0.000 0.442 183 H N -2.041 116.965 119.070 -0.108 0.000 2.639 183 H HA 0.234 4.791 4.556 0.002 0.000 0.267 183 H C 1.073 176.360 175.328 -0.069 0.000 0.958 183 H CA 0.941 56.933 56.048 -0.094 0.000 1.221 183 H CB 1.113 30.801 29.762 -0.124 0.000 1.446 183 H HN 0.307 nan 8.280 nan 0.000 0.512 184 A N 0.382 123.219 122.820 0.029 0.000 2.312 184 A HA 0.061 4.382 4.320 0.002 0.000 0.215 184 A C 0.619 178.221 177.584 0.030 0.000 1.256 184 A CA 0.199 52.246 52.037 0.017 0.000 0.966 184 A CB 0.252 19.245 19.000 -0.012 0.000 1.053 184 A HN 0.274 nan 8.150 nan 0.000 0.510 185 N N 0.362 119.097 118.700 0.058 0.000 2.667 185 N HA -0.099 4.643 4.740 0.002 0.000 0.263 185 N C -2.647 172.967 175.510 0.174 0.000 1.038 185 N CA 0.784 53.930 53.050 0.161 0.000 0.749 185 N CB -0.784 37.771 38.487 0.113 0.000 0.892 185 N HN 0.331 nan 8.380 nan 0.000 0.546 186 P HA -0.021 nan 4.420 nan 0.000 0.266 186 P C 1.147 178.593 177.300 0.242 0.000 1.195 186 P CA -0.273 62.906 63.100 0.131 0.000 0.768 186 P CB 0.757 32.497 31.700 0.066 0.000 0.838 187 V N 1.723 121.608 119.914 -0.049 0.000 2.358 187 V HA -0.161 3.960 4.120 0.002 0.000 0.246 187 V C 1.227 177.352 176.094 0.051 0.000 1.047 187 V CA 1.719 63.905 62.300 -0.189 0.000 1.035 187 V CB -0.408 31.067 31.823 -0.579 0.000 0.658 187 V HN 0.635 nan 8.190 nan 0.000 0.452 188 C N -1.246 118.148 119.300 0.156 0.000 2.848 188 C HA 0.745 5.206 4.460 0.002 0.000 0.317 188 C C -0.024 175.125 174.990 0.265 0.000 1.260 188 C CA -0.968 58.210 59.018 0.267 0.000 1.656 188 C CB 1.694 29.507 27.740 0.122 0.000 2.174 188 C HN 0.295 nan 8.230 nan 0.000 0.479 192 A N 0.775 123.621 122.820 0.044 0.000 2.313 192 A HA 0.661 4.983 4.320 0.002 0.000 0.261 192 A C 0.552 178.082 177.584 -0.090 0.000 1.090 192 A CA -0.556 51.459 52.037 -0.038 0.000 0.807 192 A CB -0.159 18.842 19.000 0.002 0.000 1.055 192 A HN 0.914 nan 8.150 nan 0.000 0.492 193 Y N 0.684 120.929 120.300 -0.092 0.000 2.314 193 Y HA -0.096 4.455 4.550 0.002 0.000 0.293 193 Y C 1.751 177.688 175.900 0.060 0.000 1.129 193 Y CA 1.204 59.240 58.100 -0.106 0.000 1.201 193 Y CB -0.275 37.915 38.460 -0.450 0.000 0.999 193 Y HN 0.766 nan 8.280 nan 0.000 0.541 194 N N 0.946 119.736 118.700 0.150 0.000 2.366 194 N HA 0.104 4.846 4.740 0.002 0.000 0.277 194 N C -0.565 174.933 175.510 -0.021 0.000 1.275 194 N CA -0.373 52.713 53.050 0.061 0.000 0.964 194 N CB 0.926 39.404 38.487 -0.016 0.000 1.167 194 N HN 0.055 nan 8.380 nan 0.000 0.568 195 K N -0.513 119.772 120.400 -0.192 0.000 2.123 195 K HA 0.543 4.865 4.320 0.002 0.000 0.248 195 K C -0.923 175.532 176.600 -0.242 0.000 0.969 195 K CA -0.889 55.227 56.287 -0.285 0.000 0.882 195 K CB 1.807 34.059 32.500 -0.414 0.000 1.080 195 K HN 0.236 nan 8.250 nan 0.000 0.441 196 V N 2.869 122.633 119.914 -0.251 0.000 2.483 196 V HA 0.113 4.235 4.120 0.002 0.000 0.297 196 V C -0.405 175.537 176.094 -0.253 0.000 1.027 196 V CA -0.971 61.158 62.300 -0.285 0.000 0.855 196 V CB 1.250 32.886 31.823 -0.312 0.000 0.995 196 V HN 0.829 nan 8.190 nan 0.000 0.424 197 N N 4.262 122.810 118.700 -0.254 0.000 2.708 197 N HA -0.232 4.509 4.740 0.002 0.000 0.251 197 N C 1.132 176.537 175.510 -0.175 0.000 1.017 197 N CA 1.551 54.479 53.050 -0.203 0.000 0.742 197 N CB -0.865 37.507 38.487 -0.192 0.000 0.943 197 N HN 1.518 nan 8.380 nan 0.000 0.539 198 G N -1.261 107.424 108.800 -0.191 0.000 2.195 198 G HA2 -0.291 3.670 3.960 0.002 0.000 0.224 198 G HA3 -0.291 3.670 3.960 0.002 0.000 0.224 198 G C -0.228 174.550 174.900 -0.203 0.000 0.990 198 G CA 0.443 45.434 45.100 -0.180 0.000 0.639 198 G HN 0.632 nan 8.290 nan 0.000 0.514 199 E N 0.267 120.343 120.200 -0.208 0.000 2.210 199 E HA 0.614 4.966 4.350 0.002 0.000 0.266 199 E C -0.051 176.431 176.600 -0.198 0.000 0.883 199 E CA -0.869 55.423 56.400 -0.180 0.000 0.761 199 E CB 0.559 30.188 29.700 -0.118 0.000 1.156 199 E HN 0.405 nan 8.360 nan 0.000 0.412 200 H N 3.196 122.178 119.070 -0.147 0.000 3.125 200 H HA -0.056 4.501 4.556 0.002 0.000 0.310 200 H C 0.838 176.125 175.328 -0.068 0.000 0.980 200 H CA 0.277 56.242 56.048 -0.138 0.000 1.422 200 H CB 0.502 30.155 29.762 -0.181 0.000 1.432 200 H HN 0.684 nan 8.280 nan 0.000 0.577 201 C N 1.803 121.134 119.300 0.052 0.000 2.396 201 C HA -0.228 4.233 4.460 0.002 0.000 0.277 201 C C 2.685 177.709 174.990 0.058 0.000 1.231 201 C CA 1.680 60.694 59.018 -0.007 0.000 1.775 201 C CB -0.998 26.713 27.740 -0.049 0.000 2.036 201 C HN 0.953 nan 8.230 nan 0.000 0.484 202 S N 0.843 116.622 115.700 0.131 0.000 2.603 202 S HA -0.101 4.371 4.470 0.002 0.000 0.229 202 S C 1.129 175.765 174.600 0.060 0.000 0.972 202 S CA 0.880 59.135 58.200 0.091 0.000 0.935 202 S CB -0.565 62.677 63.200 0.069 0.000 0.769 202 S HN 0.930 nan 8.310 nan 0.000 0.536 203 Q N 0.050 119.891 119.800 0.068 0.000 2.063 203 Q HA 0.354 4.696 4.340 0.002 0.000 0.245 203 Q C -0.339 175.667 176.000 0.011 0.000 0.828 203 Q CA -0.290 55.530 55.803 0.029 0.000 1.089 203 Q CB 0.128 28.879 28.738 0.022 0.000 1.232 203 Q HN 0.255 nan 8.270 nan 0.000 0.445 204 S N 1.314 117.015 115.700 0.002 0.000 2.409 204 S HA 0.172 4.643 4.470 0.002 0.000 0.308 204 S C 0.835 175.417 174.600 -0.030 0.000 1.080 204 S CA -0.415 57.765 58.200 -0.033 0.000 1.081 204 S CB 1.114 64.270 63.200 -0.072 0.000 1.009 204 S HN 0.502 nan 8.310 nan 0.000 0.502 205 K N 4.867 125.249 120.400 -0.031 0.000 2.063 205 K HA -0.174 4.147 4.320 0.002 0.000 0.208 205 K C 2.048 178.622 176.600 -0.044 0.000 1.048 205 K CA 1.676 57.947 56.287 -0.027 0.000 0.928 205 K CB -0.195 32.289 32.500 -0.026 0.000 0.713 205 K HN 0.676 nan 8.250 nan 0.000 0.442 206 K N 0.654 121.015 120.400 -0.066 0.000 2.034 206 K HA -0.199 4.122 4.320 0.002 0.000 0.214 206 K C 2.088 178.621 176.600 -0.111 0.000 1.051 206 K CA 1.944 58.176 56.287 -0.092 0.000 0.931 206 K CB -0.162 32.268 32.500 -0.116 0.000 0.715 206 K HN 0.205 nan 8.250 nan 0.000 0.446 207 L N 0.498 121.655 121.223 -0.111 0.000 2.068 207 L HA -0.111 4.230 4.340 0.002 0.000 0.204 207 L C 2.393 179.303 176.870 0.067 0.000 1.076 207 L CA 0.826 55.609 54.840 -0.094 0.000 0.753 207 L CB -0.241 41.695 42.059 -0.204 0.000 0.910 207 L HN 0.229 nan 8.230 nan 0.000 0.439 208 L N -1.089 120.168 121.223 0.058 0.000 2.270 208 L HA -0.018 4.323 4.340 0.002 0.000 0.210 208 L C 2.048 178.939 176.870 0.036 0.000 1.104 208 L CA 0.831 55.719 54.840 0.080 0.000 0.804 208 L CB 0.022 42.125 42.059 0.074 0.000 0.937 208 L HN 0.255 nan 8.230 nan 0.000 0.450 209 I N -1.134 119.438 120.570 0.003 0.000 3.393 209 I HA -0.026 4.145 4.170 0.002 0.000 0.250 209 I C 1.742 177.841 176.117 -0.030 0.000 1.122 209 I CA 0.224 61.523 61.300 -0.002 0.000 1.484 209 I CB -0.072 37.927 38.000 -0.001 0.000 1.468 209 I HN 0.009 nan 8.210 nan 0.000 0.461 210 D N 1.611 121.981 120.400 -0.049 0.000 2.123 210 D HA -0.136 4.505 4.640 0.002 0.000 0.196 210 D C 2.114 178.349 176.300 -0.107 0.000 0.992 210 D CA 1.639 55.604 54.000 -0.058 0.000 0.833 210 D CB 0.006 40.768 40.800 -0.062 0.000 0.954 210 D HN 0.314 nan 8.370 nan 0.000 0.455 211 I N -0.167 120.283 120.570 -0.200 0.000 2.368 211 I HA -0.103 4.069 4.170 0.002 0.000 0.238 211 I C 2.430 178.199 176.117 -0.581 0.000 1.076 211 I CA 0.234 61.270 61.300 -0.440 0.000 1.397 211 I CB -0.089 37.592 38.000 -0.531 0.000 1.141 211 I HN -0.084 nan 8.210 nan 0.000 0.430 212 L N 0.437 121.425 121.223 -0.391 0.000 2.012 212 L HA -0.224 4.118 4.340 0.002 0.000 0.210 212 L C 2.798 179.730 176.870 0.104 0.000 1.073 212 L CA 1.422 56.146 54.840 -0.195 0.000 0.748 212 L CB -0.453 41.565 42.059 -0.068 0.000 0.891 212 L HN 0.290 nan 8.230 nan 0.000 0.431 213 R N -0.659 119.878 120.500 0.062 0.000 2.056 213 R HA 0.022 4.364 4.340 0.002 0.000 0.215 213 R C 1.864 178.218 176.300 0.090 0.000 1.205 213 R CA 0.811 56.972 56.100 0.102 0.000 1.020 213 R CB -0.999 29.336 30.300 0.060 0.000 0.911 213 R HN 0.235 nan 8.270 nan 0.000 0.451 214 D N 1.011 121.439 120.400 0.047 0.000 2.117 214 D HA -0.140 4.502 4.640 0.002 0.000 0.198 214 D C 1.713 178.071 176.300 0.097 0.000 0.982 214 D CA 1.195 55.228 54.000 0.057 0.000 0.828 214 D CB 0.115 40.932 40.800 0.030 0.000 0.967 214 D HN 0.382 nan 8.370 nan 0.000 0.464 215 E N -0.913 119.343 120.200 0.094 0.000 2.099 215 E HA -0.066 4.286 4.350 0.002 0.000 0.191 215 E C 1.514 178.353 176.600 0.398 0.000 0.962 215 E CA 0.213 56.731 56.400 0.197 0.000 0.826 215 E CB 0.099 29.890 29.700 0.151 0.000 0.788 215 E HN 0.164 nan 8.360 nan 0.000 0.461 216 W N 1.329 122.716 121.300 0.145 0.000 2.770 216 W HA 0.152 4.813 4.660 0.002 0.000 0.256 216 W C 0.411 177.018 176.519 0.148 0.000 1.291 216 W CA 0.133 57.567 57.345 0.149 0.000 1.396 216 W CB 0.280 29.827 29.460 0.145 0.000 1.114 216 W HN 0.042 nan 8.180 nan 0.000 0.637 217 K N -1.684 118.924 120.400 0.347 0.000 3.088 217 K HA -0.266 4.056 4.320 0.002 0.000 0.273 217 K C -0.186 176.576 176.600 0.270 0.000 1.111 217 K CA 1.050 57.477 56.287 0.234 0.000 0.803 217 K CB -2.463 30.136 32.500 0.165 0.000 1.226 217 K HN 0.320 nan 8.250 nan 0.000 0.485 218 W N 1.770 123.161 121.300 0.153 0.000 2.158 218 W HA 0.167 4.829 4.660 0.002 0.000 0.339 218 W C 0.804 177.350 176.519 0.045 0.000 1.294 218 W CA 0.354 57.759 57.345 0.099 0.000 1.231 218 W CB 0.532 30.075 29.460 0.138 0.000 1.143 218 W HN 0.107 nan 8.180 nan 0.000 0.571 219 D N 2.969 122.930 120.400 -0.731 0.000 2.599 219 D HA 0.219 4.861 4.640 0.002 0.000 0.249 219 D C 0.550 176.258 176.300 -0.986 0.000 1.313 219 D CA -0.044 53.576 54.000 -0.633 0.000 0.815 219 D CB -0.270 40.347 40.800 -0.304 0.000 1.077 219 D HN 0.386 nan 8.370 nan 0.000 0.492 225 D N 0.198 120.600 120.400 0.005 0.000 2.363 225 D HA 0.135 4.776 4.640 0.002 0.000 0.240 225 D C -0.438 176.003 176.300 0.234 0.000 1.236 225 D CA -0.230 53.778 54.000 0.012 0.000 0.927 225 D CB 0.492 40.841 40.800 -0.751 0.000 1.150 225 D HN 0.589 nan 8.370 nan 0.000 0.458 226 W N 2.286 123.578 121.300 -0.014 0.000 2.446 226 W HA 0.107 4.768 4.660 0.002 0.000 0.316 226 W C 0.373 177.099 176.519 0.346 0.000 1.376 226 W CA -0.596 56.806 57.345 0.095 0.000 1.300 226 W CB -0.075 29.494 29.460 0.182 0.000 1.351 226 W HN 0.490 nan 8.180 nan 0.000 0.530 227 F N 0.722 120.869 119.950 0.328 0.000 2.748 227 F HA -0.241 4.287 4.527 0.002 0.000 0.370 227 F C 1.550 177.504 175.800 0.257 0.000 0.620 227 F CA 0.684 58.879 58.000 0.325 0.000 1.233 227 F CB -1.725 37.543 39.000 0.446 0.000 1.708 227 F HN 0.515 nan 8.300 nan 0.000 0.298 228 G N 0.925 109.894 108.800 0.281 0.000 3.530 228 G HA2 0.399 4.360 3.960 0.002 0.000 0.269 228 G HA3 0.399 4.360 3.960 0.002 0.000 0.269 228 G C 0.060 174.585 174.900 -0.624 0.000 1.314 228 G CA 0.514 45.574 45.100 -0.066 0.000 1.441 228 G HN 0.216 nan 8.290 nan 0.000 0.595 229 T N -0.255 113.859 114.554 -0.733 0.000 2.855 229 T HA 0.426 4.777 4.350 0.002 0.000 0.281 229 T C -0.275 173.561 174.700 -1.441 0.000 1.007 229 T CA -0.259 61.340 62.100 -0.835 0.000 1.009 229 T CB 1.602 70.207 68.868 -0.438 0.000 0.983 229 T HN 0.241 nan 8.240 nan 0.000 0.455 230 Y N 0.598 120.347 120.300 -0.918 0.000 2.563 230 Y HA 0.289 4.840 4.550 0.002 0.000 0.250 230 Y C 1.311 176.390 175.900 -1.369 0.000 1.126 230 Y CA -0.601 56.853 58.100 -1.077 0.000 1.231 230 Y CB 0.691 38.755 38.460 -0.659 0.000 1.288 230 Y HN 0.747 nan 8.280 nan 0.000 0.537 231 T N -5.079 108.824 114.554 -1.085 0.000 2.816 231 T HA 0.373 4.725 4.350 0.002 0.000 0.299 231 T C 0.464 175.062 174.700 -0.169 0.000 1.230 231 T CA -0.372 61.410 62.100 -0.530 0.000 1.007 231 T CB 2.066 70.835 68.868 -0.164 0.000 1.289 231 T HN -0.193 nan 8.240 nan 0.000 0.508 232 T N 0.542 115.219 114.554 0.206 0.000 2.818 232 T HA 0.268 4.620 4.350 0.002 0.000 0.246 232 T C 2.301 177.057 174.700 0.093 0.000 1.036 232 T CA 1.016 63.254 62.100 0.230 0.000 1.160 232 T CB -0.699 68.323 68.868 0.257 0.000 0.869 232 T HN 0.797 nan 8.240 nan 0.000 0.419 233 A N 1.206 124.073 122.820 0.077 0.000 1.903 233 A HA 0.447 4.769 4.320 0.002 0.000 0.213 233 A C 2.539 180.133 177.584 0.017 0.000 1.185 233 A CA 1.440 53.502 52.037 0.042 0.000 0.628 233 A CB -1.030 17.994 19.000 0.040 0.000 0.830 233 A HN 0.458 nan 8.150 nan 0.000 0.446 234 A N 0.170 122.994 122.820 0.007 0.000 1.902 234 A HA 0.149 4.471 4.320 0.002 0.000 0.217 234 A C 2.481 180.058 177.584 -0.012 0.000 1.181 234 A CA 2.066 54.100 52.037 -0.004 0.000 0.623 234 A CB -1.012 17.984 19.000 -0.006 0.000 0.818 234 A HN 1.025 nan 8.150 nan 0.000 0.443 235 A N -0.038 122.764 122.820 -0.031 0.000 1.908 235 A HA -0.123 4.198 4.320 0.002 0.000 0.218 235 A C 2.132 179.709 177.584 -0.012 0.000 1.181 235 A CA 1.627 53.644 52.037 -0.033 0.000 0.627 235 A CB -0.613 18.336 19.000 -0.085 0.000 0.818 235 A HN 0.513 nan 8.150 nan 0.000 0.445 236 I N -0.741 119.827 120.570 -0.003 0.000 2.179 236 I HA -0.254 3.917 4.170 0.002 0.000 0.242 236 I C 2.567 178.686 176.117 0.004 0.000 1.088 236 I CA 1.829 63.132 61.300 0.005 0.000 1.357 236 I CB -0.257 37.750 38.000 0.012 0.000 1.051 236 I HN 0.352 nan 8.210 nan 0.000 0.409 237 K N 0.848 121.250 120.400 0.003 0.000 2.103 237 K HA -0.183 4.139 4.320 0.002 0.000 0.207 237 K C 1.333 177.934 176.600 0.001 0.000 1.048 237 K CA 1.595 57.883 56.287 0.001 0.000 0.930 237 K CB 0.021 32.521 32.500 0.000 0.000 0.716 237 K HN 0.271 nan 8.250 nan 0.000 0.444 238 N N -0.966 117.735 118.700 0.001 0.000 2.280 238 N HA 0.071 4.812 4.740 0.002 0.000 0.192 238 N C 0.452 175.968 175.510 0.010 0.000 1.109 238 N CA 0.919 53.970 53.050 0.001 0.000 0.855 238 N CB 1.387 39.872 38.487 -0.003 0.000 0.974 238 N HN 0.443 nan 8.380 nan 0.000 0.482 239 G N 0.159 108.967 108.800 0.015 0.000 2.183 239 G HA2 -0.195 3.767 3.960 0.002 0.000 0.168 239 G HA3 -0.195 3.767 3.960 0.002 0.000 0.168 239 G C -0.401 174.522 174.900 0.038 0.000 1.008 239 G CA -0.488 44.627 45.100 0.026 0.000 0.677 239 G HN 0.243 nan 8.290 nan 0.000 0.498 240 L N 2.020 123.261 121.223 0.029 0.000 2.363 240 L HA 0.506 4.848 4.340 0.002 0.000 0.286 240 L C 1.110 177.997 176.870 0.029 0.000 1.106 240 L CA -0.062 54.799 54.840 0.034 0.000 0.859 240 L CB 0.316 42.382 42.059 0.012 0.000 1.223 240 L HN 0.129 nan 8.230 nan 0.000 0.446 241 D N 4.270 124.697 120.400 0.045 0.000 2.117 241 D HA -0.031 4.611 4.640 0.002 0.000 0.198 241 D C 0.491 176.808 176.300 0.028 0.000 0.982 241 D CA 1.525 55.545 54.000 0.035 0.000 0.828 241 D CB 0.507 41.331 40.800 0.041 0.000 0.967 241 D HN 0.481 nan 8.370 nan 0.000 0.464 242 I N 0.064 120.663 120.570 0.048 0.000 2.722 242 I HA 0.118 4.289 4.170 0.002 0.000 0.295 242 I C -1.158 174.968 176.117 0.015 0.000 1.161 242 I CA -0.771 60.541 61.300 0.020 0.000 1.032 242 I CB 2.867 40.906 38.000 0.064 0.000 1.244 242 I HN -0.300 nan 8.210 nan 0.000 0.421 243 E N 6.380 126.524 120.200 -0.094 0.000 2.197 243 E HA 0.405 4.756 4.350 0.002 0.000 0.281 243 E C -1.886 174.509 176.600 -0.342 0.000 0.995 243 E CA -0.349 55.967 56.400 -0.139 0.000 0.808 243 E CB 1.044 30.674 29.700 -0.117 0.000 1.093 243 E HN 0.462 nan 8.360 nan 0.000 0.394 244 F N 4.620 124.239 119.950 -0.552 0.000 2.577 244 F HA 0.465 4.993 4.527 0.002 0.000 0.318 244 F C -1.985 173.116 175.800 -1.164 0.000 1.065 244 F CA -1.887 55.497 58.000 -1.027 0.000 0.929 244 F CB 2.220 40.097 39.000 -1.871 0.000 1.237 244 F HN 0.421 nan 8.300 nan 0.000 0.468 245 P HA 0.268 nan 4.420 nan 0.000 0.282 245 P C -0.534 176.263 177.300 -0.838 0.000 1.287 245 P CA -0.250 62.149 63.100 -1.169 0.000 0.792 245 P CB 0.790 31.595 31.700 -1.491 0.000 1.163 246 G N -0.172 108.209 108.800 -0.697 0.000 2.528 246 G HA2 0.475 4.437 3.960 0.002 0.000 0.289 246 G HA3 0.475 4.437 3.960 0.002 0.000 0.289 246 G C -2.421 172.221 174.900 -0.430 0.000 1.192 246 G CA -1.456 43.360 45.100 -0.472 0.000 0.921 246 G HN 0.393 nan 8.290 nan 0.000 0.512 247 P HA 0.136 nan 4.420 nan 0.000 0.275 247 P C 0.315 177.495 177.300 -0.200 0.000 1.227 247 P CA -0.082 62.897 63.100 -0.203 0.000 0.781 247 P CB 0.909 32.530 31.700 -0.132 0.000 0.906 248 T N 2.545 116.984 114.554 -0.191 0.000 2.891 248 T HA -0.038 4.313 4.350 0.002 0.000 0.296 248 T C 1.522 176.138 174.700 -0.141 0.000 1.025 248 T CA 0.377 62.383 62.100 -0.157 0.000 1.149 248 T CB -0.071 68.720 68.868 -0.128 0.000 1.007 248 T HN 0.331 nan 8.240 nan 0.000 0.528 249 R N 3.006 123.420 120.500 -0.144 0.000 2.075 249 R HA 0.066 4.408 4.340 0.002 0.000 0.220 249 R C 1.651 177.697 176.300 -0.424 0.000 1.118 249 R CA 1.245 57.147 56.100 -0.330 0.000 0.986 249 R CB 0.016 30.024 30.300 -0.487 0.000 0.884 249 R HN 0.701 nan 8.270 nan 0.000 0.439 250 W N 0.394 121.661 121.300 -0.054 0.000 3.197 250 W HA 0.191 4.853 4.660 0.003 0.000 0.274 250 W C 0.734 177.228 176.519 -0.041 0.000 1.297 250 W CA -0.183 57.138 57.345 -0.040 0.000 1.662 250 W CB 0.536 29.969 29.460 -0.044 0.000 1.106 250 W HN -0.163 nan 8.180 nan 0.000 0.663 251 R N 0.187 120.745 120.500 0.097 0.000 2.698 251 R HA 0.115 4.456 4.340 0.002 0.000 0.422 251 R C 0.439 176.733 176.300 -0.010 0.000 1.073 251 R CA -0.045 56.084 56.100 0.049 0.000 1.054 251 R CB -0.009 30.311 30.300 0.034 0.000 1.373 251 R HN -0.119 nan 8.270 nan 0.000 0.593 252 T N -2.101 112.435 114.554 -0.030 0.000 2.855 252 T HA 0.008 4.360 4.350 0.002 0.000 0.314 252 T C 1.306 175.992 174.700 -0.023 0.000 1.077 252 T CA -0.471 61.602 62.100 -0.045 0.000 1.095 252 T CB 1.798 70.629 68.868 -0.061 0.000 0.987 252 T HN 0.300 nan 8.240 nan 0.000 0.546 253 R N 1.011 121.495 120.500 -0.027 0.000 2.105 253 R HA -0.135 4.207 4.340 0.002 0.000 0.239 253 R C 2.406 178.706 176.300 0.001 0.000 1.135 253 R CA 1.572 57.664 56.100 -0.014 0.000 0.967 253 R CB -0.981 29.306 30.300 -0.020 0.000 0.861 253 R HN 0.843 nan 8.270 nan 0.000 0.442 254 A N 0.998 123.812 122.820 -0.010 0.000 1.898 254 A HA -0.076 4.246 4.320 0.002 0.000 0.216 254 A C 2.201 179.807 177.584 0.037 0.000 1.181 254 A CA 1.027 53.063 52.037 -0.002 0.000 0.620 254 A CB -0.426 18.548 19.000 -0.044 0.000 0.819 254 A HN 0.338 nan 8.150 nan 0.000 0.442 255 L N -0.488 120.750 121.223 0.025 0.000 2.056 255 L HA -0.148 4.194 4.340 0.002 0.000 0.207 255 L C 2.517 179.442 176.870 0.091 0.000 1.078 255 L CA 1.062 55.940 54.840 0.063 0.000 0.749 255 L CB -0.521 41.565 42.059 0.046 0.000 0.901 255 L HN 0.255 nan 8.230 nan 0.000 0.433 256 V N -0.443 119.508 119.914 0.061 0.000 2.283 256 V HA -0.225 3.896 4.120 0.002 0.000 0.243 256 V C 2.660 178.782 176.094 0.048 0.000 1.039 256 V CA 1.938 64.269 62.300 0.051 0.000 1.016 256 V CB -0.558 31.282 31.823 0.030 0.000 0.650 256 V HN 0.604 nan 8.190 nan 0.000 0.449 257 S N -0.376 115.354 115.700 0.050 0.000 2.406 257 S HA -0.262 4.209 4.470 0.002 0.000 0.228 257 S C 1.974 176.617 174.600 0.072 0.000 1.020 257 S CA 1.649 59.876 58.200 0.046 0.000 0.965 257 S CB -0.653 62.569 63.200 0.036 0.000 0.798 257 S HN 0.716 nan 8.310 nan 0.000 0.488 258 H N 1.896 120.965 119.070 -0.000 0.000 2.357 258 H HA 0.105 4.663 4.556 0.002 0.000 0.301 258 H C 2.202 177.534 175.328 0.007 0.000 1.082 258 H CA 1.812 57.861 56.048 0.002 0.000 1.342 258 H CB -0.637 29.125 29.762 0.001 0.000 1.389 258 H HN 0.413 nan 8.280 nan 0.000 0.511 259 S N 0.112 115.820 115.700 0.012 0.000 2.365 259 S HA -0.174 4.297 4.470 0.002 0.000 0.225 259 S C 2.343 176.904 174.600 -0.066 0.000 1.039 259 S CA 1.494 59.672 58.200 -0.037 0.000 1.033 259 S CB -0.426 62.789 63.200 0.026 0.000 0.887 259 S HN 0.346 nan 8.310 nan 0.000 0.447 260 L N 1.603 122.805 121.223 -0.035 0.000 1.994 260 L HA -0.143 4.198 4.340 0.002 0.000 0.208 260 L C 2.155 178.992 176.870 -0.055 0.000 1.071 260 L CA 1.095 55.915 54.840 -0.033 0.000 0.745 260 L CB -0.673 41.378 42.059 -0.013 0.000 0.892 260 L HN 0.270 nan 8.230 nan 0.000 0.431 261 N N -0.635 118.024 118.700 -0.069 0.000 2.381 261 N HA -0.094 4.647 4.740 0.002 0.000 0.182 261 N C 1.619 177.060 175.510 -0.115 0.000 1.025 261 N CA 0.982 53.988 53.050 -0.072 0.000 0.888 261 N CB -0.020 38.441 38.487 -0.044 0.000 0.965 261 N HN 0.182 nan 8.380 nan 0.000 0.438 262 S N 0.109 115.692 115.700 -0.195 0.000 2.577 262 S HA 0.198 4.669 4.470 0.002 0.000 0.219 262 S C 0.235 174.766 174.600 -0.114 0.000 0.962 262 S CA -0.374 57.706 58.200 -0.199 0.000 0.921 262 S CB 0.462 63.440 63.200 -0.369 0.000 0.789 262 S HN 0.244 nan 8.310 nan 0.000 0.497 263 R N 1.318 121.768 120.500 -0.083 0.000 3.416 263 R HA -0.179 4.163 4.340 0.002 0.000 0.263 263 R C -0.580 175.693 176.300 -0.046 0.000 1.053 263 R CA 0.437 56.507 56.100 -0.051 0.000 0.705 263 R CB -1.566 28.711 30.300 -0.038 0.000 1.124 263 R HN 0.315 nan 8.270 nan 0.000 0.444 264 E N 1.154 121.321 120.200 -0.055 0.000 2.014 264 E HA 0.109 4.460 4.350 0.002 0.000 0.275 264 E C 0.471 177.063 176.600 -0.014 0.000 0.997 264 E CA 0.023 56.404 56.400 -0.032 0.000 0.804 264 E CB 0.418 30.099 29.700 -0.032 0.000 1.090 264 E HN 0.261 nan 8.360 nan 0.000 0.401 265 Q N 1.413 121.208 119.800 -0.008 0.000 2.755 265 Q HA -0.296 4.045 4.340 0.002 0.000 0.190 265 Q C 0.368 176.366 176.000 -0.003 0.000 2.840 265 Q CA 2.047 57.849 55.803 -0.002 0.000 0.265 265 Q CB -1.887 26.856 28.738 0.007 0.000 0.240 265 Q HN 0.717 nan 8.270 nan 0.000 0.447 266 I N -0.113 120.455 120.570 -0.003 0.000 2.607 266 I HA 0.711 4.883 4.170 0.002 0.000 0.305 266 I C 0.375 176.487 176.117 -0.008 0.000 0.995 266 I CA -0.335 60.963 61.300 -0.002 0.000 1.148 266 I CB 1.850 39.852 38.000 0.004 0.000 1.323 266 I HN 0.174 nan 8.210 nan 0.000 0.461 267 T N -1.265 113.285 114.554 -0.007 0.000 2.910 267 T HA 0.341 4.693 4.350 0.002 0.000 0.287 267 T C 1.060 175.756 174.700 -0.007 0.000 1.050 267 T CA 0.019 62.114 62.100 -0.009 0.000 1.011 267 T CB 1.414 70.277 68.868 -0.008 0.000 1.195 267 T HN 0.814 nan 8.240 nan 0.000 0.540 268 T N -1.915 112.634 114.554 -0.008 0.000 2.881 268 T HA -0.116 4.235 4.350 0.002 0.000 0.270 268 T C 1.558 176.254 174.700 -0.006 0.000 1.068 268 T CA 1.442 63.538 62.100 -0.007 0.000 1.131 268 T CB -0.596 68.267 68.868 -0.008 0.000 0.871 268 T HN 0.804 nan 8.240 nan 0.000 0.479 269 E N 1.350 121.546 120.200 -0.006 0.000 2.077 269 E HA -0.220 4.132 4.350 0.002 0.000 0.193 269 E C 1.631 178.228 176.600 -0.004 0.000 0.989 269 E CA 1.501 57.897 56.400 -0.006 0.000 0.800 269 E CB -0.193 29.503 29.700 -0.006 0.000 0.746 269 E HN 0.479 nan 8.360 nan 0.000 0.452 270 D N 0.154 120.552 120.400 -0.003 0.000 2.117 270 D HA -0.148 4.493 4.640 0.002 0.000 0.197 270 D C 2.105 178.404 176.300 -0.001 0.000 0.987 270 D CA 1.096 55.095 54.000 -0.002 0.000 0.829 270 D CB -0.200 40.599 40.800 -0.000 0.000 0.961 270 D HN 0.138 nan 8.370 nan 0.000 0.460 271 V N 1.656 121.569 119.914 -0.001 0.000 2.295 271 V HA -0.217 3.905 4.120 0.002 0.000 0.246 271 V C 1.930 178.023 176.094 -0.003 0.000 1.049 271 V CA 1.730 64.029 62.300 -0.001 0.000 1.024 271 V CB -0.442 31.380 31.823 -0.001 0.000 0.648 271 V HN 0.026 nan 8.190 nan 0.000 0.447 272 D N 0.143 120.540 120.400 -0.005 0.000 2.158 272 D HA -0.182 4.459 4.640 0.002 0.000 0.197 272 D C 1.894 178.190 176.300 -0.006 0.000 0.995 272 D CA 1.501 55.498 54.000 -0.006 0.000 0.846 272 D CB -0.348 40.448 40.800 -0.008 0.000 0.941 272 D HN 0.443 nan 8.370 nan 0.000 0.456 273 D N -0.084 120.313 120.400 -0.005 0.000 2.144 273 D HA -0.077 4.565 4.640 0.002 0.000 0.200 273 D C 2.196 178.493 176.300 -0.006 0.000 0.978 273 D CA 0.580 54.576 54.000 -0.006 0.000 0.833 273 D CB 0.023 40.821 40.800 -0.004 0.000 0.961 273 D HN 0.136 nan 8.370 nan 0.000 0.470 274 R N 0.662 121.161 120.500 -0.002 0.000 2.066 274 R HA -0.034 4.308 4.340 0.002 0.000 0.232 274 R C 2.478 178.780 176.300 0.002 0.000 1.131 274 R CA 0.423 56.524 56.100 0.002 0.000 0.955 274 R CB -1.157 29.145 30.300 0.004 0.000 0.851 274 R HN 0.171 nan 8.270 nan 0.000 0.432 275 V N 1.614 121.529 119.914 0.002 0.000 2.255 275 V HA -0.258 3.864 4.120 0.002 0.000 0.247 275 V C 2.693 178.794 176.094 0.012 0.000 1.051 275 V CA 2.023 64.327 62.300 0.007 0.000 1.018 275 V CB -0.645 31.179 31.823 0.002 0.000 0.641 275 V HN 0.323 nan 8.190 nan 0.000 0.445 276 R N -0.355 120.147 120.500 0.004 0.000 2.153 276 R HA -0.269 4.072 4.340 0.002 0.000 0.252 276 R C 2.304 178.605 176.300 0.002 0.000 1.158 276 R CA 1.997 58.099 56.100 0.003 0.000 0.975 276 R CB -0.131 30.164 30.300 -0.008 0.000 0.871 276 R HN 0.495 nan 8.270 nan 0.000 0.450 277 Q N -0.470 119.323 119.800 -0.012 0.000 2.212 277 Q HA -0.017 4.325 4.340 0.002 0.000 0.199 277 Q C 2.226 178.219 176.000 -0.012 0.000 0.950 277 Q CA 0.976 56.755 55.803 -0.041 0.000 0.863 277 Q CB 0.010 28.710 28.738 -0.063 0.000 0.944 277 Q HN 0.249 nan 8.270 nan 0.000 0.465 278 V N 1.344 121.269 119.914 0.019 0.000 2.343 278 V HA -0.241 3.880 4.120 0.002 0.000 0.247 278 V C 2.392 178.530 176.094 0.074 0.000 1.051 278 V CA 1.412 63.740 62.300 0.046 0.000 1.036 278 V CB -0.647 31.204 31.823 0.045 0.000 0.654 278 V HN 0.251 nan 8.190 nan 0.000 0.451 279 L N -0.856 120.422 121.223 0.092 0.000 2.083 279 L HA -0.113 4.228 4.340 0.002 0.000 0.209 279 L C 1.601 178.592 176.870 0.202 0.000 1.083 279 L CA 1.186 56.136 54.840 0.183 0.000 0.752 279 L CB -0.405 41.745 42.059 0.151 0.000 0.899 279 L HN 0.286 nan 8.230 nan 0.000 0.433 283 K N 1.585 121.735 120.400 -0.417 0.000 2.103 283 K HA -0.177 4.144 4.320 0.002 0.000 0.207 283 K C 2.096 178.583 176.600 -0.189 0.000 1.048 283 K CA 2.053 58.038 56.287 -0.503 0.000 0.930 283 K CB -0.065 32.471 32.500 0.059 0.000 0.716 283 K HN 0.271 nan 8.250 nan 0.000 0.444 284 F N 0.853 120.704 119.950 -0.165 0.000 2.134 284 F HA -0.176 4.352 4.527 0.002 0.000 0.299 284 F C 1.734 177.466 175.800 -0.114 0.000 1.097 284 F CA 1.212 59.150 58.000 -0.103 0.000 1.264 284 F CB -0.151 38.812 39.000 -0.061 0.000 1.001 284 F HN -0.196 nan 8.300 nan 0.000 0.479 285 V N -0.696 119.222 119.914 0.007 0.000 2.453 285 V HA -0.234 3.887 4.120 0.002 0.000 0.247 285 V C 2.312 178.292 176.094 -0.191 0.000 1.048 285 V CA 1.483 63.745 62.300 -0.063 0.000 1.049 285 V CB -0.461 31.377 31.823 0.025 0.000 0.672 285 V HN 0.254 nan 8.190 nan 0.000 0.457 286 V N 0.076 119.827 119.914 -0.272 0.000 2.323 286 V HA -0.194 3.927 4.120 0.002 0.000 0.244 286 V C 2.066 178.040 176.094 -0.201 0.000 1.041 286 V CA 1.997 64.141 62.300 -0.260 0.000 1.025 286 V CB -0.591 30.969 31.823 -0.438 0.000 0.656 286 V HN 0.524 nan 8.190 nan 0.000 0.451 287 D N 0.085 120.347 120.400 -0.229 0.000 2.378 287 D HA -0.070 4.571 4.640 0.002 0.000 0.222 287 D C 1.538 177.706 176.300 -0.220 0.000 0.980 287 D CA 0.692 54.586 54.000 -0.176 0.000 0.907 287 D CB -0.204 40.506 40.800 -0.151 0.000 0.899 287 D HN 0.388 nan 8.370 nan 0.000 0.527 288 N N -0.289 118.238 118.700 -0.288 0.000 2.184 288 N HA 0.132 4.873 4.740 0.002 0.000 0.206 288 N C 1.566 176.976 175.510 -0.166 0.000 1.151 288 N CA -0.100 52.781 53.050 -0.283 0.000 0.878 288 N CB 0.920 39.119 38.487 -0.480 0.000 1.014 288 N HN 0.197 nan 8.380 nan 0.000 0.512 289 L N 0.831 121.978 121.223 -0.128 0.000 2.141 289 L HA -0.077 4.264 4.340 0.002 0.000 0.209 289 L C 2.212 179.050 176.870 -0.053 0.000 1.094 289 L CA 1.133 55.928 54.840 -0.075 0.000 0.763 289 L CB -0.066 41.959 42.059 -0.057 0.000 0.908 289 L HN 0.160 nan 8.230 nan 0.000 0.437 290 E N 0.227 120.394 120.200 -0.055 0.000 2.047 290 E HA -0.285 4.066 4.350 0.002 0.000 0.191 290 E C 2.138 178.715 176.600 -0.038 0.000 0.987 290 E CA 1.363 57.740 56.400 -0.039 0.000 0.799 290 E CB 0.060 29.738 29.700 -0.037 0.000 0.752 290 E HN 0.313 nan 8.360 nan 0.000 0.449 291 K N 0.372 120.739 120.400 -0.054 0.000 2.057 291 K HA -0.131 4.190 4.320 0.002 0.000 0.207 291 K C 2.124 178.703 176.600 -0.036 0.000 1.049 291 K CA 1.993 58.251 56.287 -0.047 0.000 0.931 291 K CB -0.057 32.404 32.500 -0.064 0.000 0.714 291 K HN 0.154 nan 8.250 nan 0.000 0.440 292 T N -3.954 110.574 114.554 -0.043 0.000 3.044 292 T HA 0.179 4.531 4.350 0.002 0.000 0.255 292 T C 1.448 176.141 174.700 -0.012 0.000 1.073 292 T CA 0.488 62.573 62.100 -0.025 0.000 1.125 292 T CB 0.008 68.859 68.868 -0.027 0.000 0.908 292 T HN 0.381 nan 8.240 nan 0.000 0.480 293 G N 1.522 110.313 108.800 -0.015 0.000 2.168 293 G HA2 -0.242 3.719 3.960 0.002 0.000 0.257 293 G HA3 -0.242 3.719 3.960 0.002 0.000 0.257 293 G C 0.061 174.963 174.900 0.003 0.000 0.997 293 G CA 0.217 45.314 45.100 -0.005 0.000 0.708 293 G HN 0.684 nan 8.290 nan 0.000 0.520 294 I N 0.299 120.871 120.570 0.002 0.000 2.710 294 I HA 0.243 4.415 4.170 0.002 0.000 0.286 294 I C 0.788 176.917 176.117 0.021 0.000 1.181 294 I CA 0.310 61.620 61.300 0.015 0.000 1.430 294 I CB 0.991 39.001 38.000 0.017 0.000 1.367 294 I HN -0.032 nan 8.210 nan 0.000 0.577 295 V N 6.806 126.739 119.914 0.033 0.000 2.417 295 V HA 0.193 4.314 4.120 0.002 0.000 0.291 295 V C 0.183 176.311 176.094 0.056 0.000 1.024 295 V CA -0.881 61.441 62.300 0.037 0.000 0.861 295 V CB 1.426 33.270 31.823 0.035 0.000 0.985 295 V HN 0.698 nan 8.190 nan 0.000 0.436 296 E N 4.536 124.770 120.200 0.056 0.000 2.480 296 E HA -0.081 4.271 4.350 0.002 0.000 0.258 296 E C 0.844 177.496 176.600 0.087 0.000 0.984 296 E CA 0.353 56.800 56.400 0.078 0.000 0.930 296 E CB 0.038 29.776 29.700 0.063 0.000 0.936 296 E HN 0.748 nan 8.360 nan 0.000 0.466 297 N N 2.354 121.136 118.700 0.137 0.000 2.693 297 N HA -0.174 4.568 4.740 0.002 0.000 0.249 297 N C -0.161 175.408 175.510 0.099 0.000 1.119 297 N CA 0.939 54.064 53.050 0.125 0.000 0.717 297 N CB -1.065 37.437 38.487 0.024 0.000 1.071 297 N HN 0.625 nan 8.380 nan 0.000 0.555 298 G N -0.080 108.777 108.800 0.096 0.000 2.732 298 G HA2 0.250 4.212 3.960 0.002 0.000 0.244 298 G HA3 0.250 4.212 3.960 0.002 0.000 0.244 298 G C -1.893 173.048 174.900 0.069 0.000 1.226 298 G CA -0.429 44.713 45.100 0.069 0.000 0.860 298 G HN 0.348 nan 8.290 nan 0.000 0.583 299 P HA 0.192 nan 4.420 nan 0.000 0.272 299 P C -0.672 176.656 177.300 0.047 0.000 1.240 299 P CA -0.113 63.017 63.100 0.049 0.000 0.791 299 P CB 1.111 32.834 31.700 0.039 0.000 0.978 300 E N 0.093 120.319 120.200 0.043 0.000 2.129 300 E HA 0.357 4.708 4.350 0.002 0.000 0.268 300 E C -0.134 176.488 176.600 0.037 0.000 0.900 300 E CA -0.546 55.874 56.400 0.034 0.000 0.755 300 E CB 1.251 30.965 29.700 0.023 0.000 1.117 300 E HN 0.426 nan 8.360 nan 0.000 0.410 301 S N 0.812 116.537 115.700 0.042 0.000 2.704 301 S HA 0.353 4.824 4.470 0.002 0.000 0.305 301 S C 0.705 175.352 174.600 0.077 0.000 1.107 301 S CA -0.618 57.611 58.200 0.049 0.000 0.993 301 S CB 1.581 64.804 63.200 0.038 0.000 1.110 301 S HN 0.456 nan 8.310 nan 0.000 0.534 302 T N -1.597 113.005 114.554 0.080 0.000 3.206 302 T HA 0.149 4.500 4.350 0.002 0.000 0.253 302 T C 1.551 176.258 174.700 0.013 0.000 1.042 302 T CA 0.282 62.454 62.100 0.120 0.000 0.931 302 T CB -0.722 68.214 68.868 0.114 0.000 1.029 302 T HN 0.808 nan 8.240 nan 0.000 0.564 303 S N 1.543 117.256 115.700 0.021 0.000 2.465 303 S HA -0.152 4.319 4.470 0.002 0.000 0.241 303 S C 1.682 176.269 174.600 -0.021 0.000 1.000 303 S CA 1.107 59.302 58.200 -0.008 0.000 0.964 303 S CB -0.732 62.473 63.200 0.009 0.000 0.763 303 S HN 0.508 nan 8.310 nan 0.000 0.512 304 N N 1.953 120.660 118.700 0.012 0.000 2.336 304 N HA 0.107 4.848 4.740 0.002 0.000 0.189 304 N C -0.057 175.391 175.510 -0.103 0.000 1.113 304 N CA -0.074 52.988 53.050 0.019 0.000 0.858 304 N CB -0.497 38.059 38.487 0.115 0.000 0.970 304 N HN 0.393 nan 8.380 nan 0.000 0.471 305 N N 0.791 119.252 118.700 -0.399 0.000 2.498 305 N HA -0.004 4.737 4.740 0.002 0.000 0.277 305 N C -1.081 174.242 175.510 -0.312 0.000 1.208 305 N CA 0.159 52.734 53.050 -0.791 0.000 1.029 305 N CB -0.346 37.390 38.487 -1.251 0.000 1.403 305 N HN 0.222 nan 8.380 nan 0.000 0.500 306 T N -0.690 113.771 114.554 -0.156 0.000 2.864 306 T HA 0.308 4.659 4.350 0.002 0.000 0.299 306 T C 0.928 175.613 174.700 -0.026 0.000 1.166 306 T CA -0.842 61.214 62.100 -0.074 0.000 1.007 306 T CB 1.610 70.450 68.868 -0.046 0.000 1.219 306 T HN 0.006 nan 8.240 nan 0.000 0.506 307 K N 0.596 120.983 120.400 -0.022 0.000 2.032 307 K HA -0.167 4.154 4.320 0.002 0.000 0.209 307 K C 1.920 178.523 176.600 0.005 0.000 1.048 307 K CA 2.033 58.316 56.287 -0.007 0.000 0.927 307 K CB -0.466 32.025 32.500 -0.015 0.000 0.712 307 K HN 0.907 nan 8.250 nan 0.000 0.441 308 E N -0.364 119.837 120.200 0.001 0.000 2.070 308 E HA -0.176 4.175 4.350 0.002 0.000 0.197 308 E C 1.623 178.230 176.600 0.013 0.000 1.004 308 E CA 1.932 58.337 56.400 0.007 0.000 0.805 308 E CB 0.054 29.758 29.700 0.006 0.000 0.744 308 E HN 0.249 nan 8.360 nan 0.000 0.451 309 T N 0.046 114.610 114.554 0.017 0.000 2.708 309 T HA -0.114 4.238 4.350 0.002 0.000 0.266 309 T C 2.105 176.814 174.700 0.015 0.000 1.037 309 T CA 1.351 63.463 62.100 0.020 0.000 1.146 309 T CB -0.276 68.623 68.868 0.051 0.000 0.865 309 T HN 0.088 nan 8.240 nan 0.000 0.435 310 S N 1.196 116.929 115.700 0.055 0.000 2.370 310 S HA -0.148 4.324 4.470 0.002 0.000 0.226 310 S C 1.861 176.491 174.600 0.050 0.000 1.033 310 S CA 1.169 59.427 58.200 0.097 0.000 1.011 310 S CB -0.479 62.812 63.200 0.152 0.000 0.852 310 S HN 0.453 nan 8.310 nan 0.000 0.457 311 D N 0.971 121.389 120.400 0.029 0.000 2.117 311 D HA -0.043 4.598 4.640 0.002 0.000 0.197 311 D C 1.870 178.177 176.300 0.011 0.000 0.987 311 D CA 0.513 54.525 54.000 0.020 0.000 0.829 311 D CB -0.316 40.492 40.800 0.014 0.000 0.961 311 D HN 0.174 nan 8.370 nan 0.000 0.460 312 L N 0.736 121.959 121.223 -0.000 0.000 2.027 312 L HA -0.042 4.299 4.340 0.002 0.000 0.206 312 L C 2.331 179.179 176.870 -0.036 0.000 1.074 312 L CA 1.192 56.028 54.840 -0.007 0.000 0.745 312 L CB -1.084 40.974 42.059 -0.002 0.000 0.898 312 L HN 0.082 nan 8.230 nan 0.000 0.433 313 L N -0.834 120.331 121.223 -0.098 0.000 2.079 313 L HA -0.251 4.091 4.340 0.002 0.000 0.210 313 L C 2.713 179.555 176.870 -0.046 0.000 1.081 313 L CA 1.325 56.066 54.840 -0.164 0.000 0.752 313 L CB -0.569 41.334 42.059 -0.259 0.000 0.896 313 L HN 0.304 nan 8.230 nan 0.000 0.433 314 R N 0.635 121.135 120.500 -0.001 0.000 2.092 314 R HA -0.181 4.160 4.340 0.002 0.000 0.231 314 R C 2.408 178.730 176.300 0.037 0.000 1.119 314 R CA 1.409 57.530 56.100 0.035 0.000 0.970 314 R CB -0.027 30.301 30.300 0.047 0.000 0.864 314 R HN 0.234 nan 8.270 nan 0.000 0.440 315 K N 0.612 121.028 120.400 0.027 0.000 2.025 315 K HA -0.112 4.210 4.320 0.002 0.000 0.207 315 K C 2.065 178.688 176.600 0.039 0.000 1.049 315 K CA 1.507 57.811 56.287 0.029 0.000 0.933 315 K CB -0.128 32.384 32.500 0.020 0.000 0.714 315 K HN 0.164 nan 8.250 nan 0.000 0.438 316 I N 1.406 122.001 120.570 0.042 0.000 2.163 316 I HA -0.292 3.879 4.170 0.002 0.000 0.243 316 I C 2.561 178.726 176.117 0.080 0.000 1.085 316 I CA 1.437 62.779 61.300 0.069 0.000 1.347 316 I CB -0.391 37.670 38.000 0.102 0.000 1.044 316 I HN 0.262 nan 8.210 nan 0.000 0.408 317 A N 0.572 123.436 122.820 0.073 0.000 1.933 317 A HA -0.113 4.208 4.320 0.002 0.000 0.218 317 A C 2.528 180.174 177.584 0.103 0.000 1.175 317 A CA 1.774 53.871 52.037 0.101 0.000 0.628 317 A CB -0.805 18.251 19.000 0.093 0.000 0.814 317 A HN 0.437 nan 8.150 nan 0.000 0.444 318 A N -0.074 122.791 122.820 0.076 0.000 1.930 318 A HA -0.127 4.195 4.320 0.002 0.000 0.217 318 A C 1.622 179.240 177.584 0.056 0.000 1.175 318 A CA 1.770 53.845 52.037 0.064 0.000 0.627 318 A CB -0.499 18.531 19.000 0.050 0.000 0.815 318 A HN 0.409 nan 8.150 nan 0.000 0.443 319 D N -0.243 120.190 120.400 0.055 0.000 2.348 319 D HA 0.008 4.649 4.640 0.002 0.000 0.216 319 D C 1.787 178.131 176.300 0.075 0.000 0.970 319 D CA 0.972 55.001 54.000 0.048 0.000 0.889 319 D CB -0.036 40.788 40.800 0.040 0.000 0.912 319 D HN 0.359 nan 8.370 nan 0.000 0.524 320 S N -0.110 115.658 115.700 0.113 0.000 2.496 320 S HA 0.098 4.570 4.470 0.002 0.000 0.224 320 S C 1.089 175.881 174.600 0.319 0.000 0.996 320 S CA -0.108 58.191 58.200 0.166 0.000 0.927 320 S CB 0.473 63.766 63.200 0.155 0.000 0.774 320 S HN 0.228 nan 8.310 nan 0.000 0.524 321 I N 2.045 122.738 120.570 0.207 0.000 2.634 321 I HA 0.117 4.288 4.170 0.002 0.000 0.284 321 I C -0.475 175.682 176.117 0.067 0.000 1.124 321 I CA -0.180 61.208 61.300 0.146 0.000 1.417 321 I CB 0.859 38.886 38.000 0.044 0.000 1.396 321 I HN -0.106 nan 8.210 nan 0.000 0.571 322 V N 6.835 126.734 119.914 -0.025 0.000 2.409 322 V HA 0.271 4.392 4.120 0.002 0.000 0.291 322 V C -0.321 175.642 176.094 -0.220 0.000 1.020 322 V CA -0.711 61.530 62.300 -0.098 0.000 0.848 322 V CB 1.686 33.481 31.823 -0.047 0.000 0.990 322 V HN 0.404 nan 8.190 nan 0.000 0.430 323 L N 5.648 126.737 121.223 -0.223 0.000 2.265 323 L HA 0.459 4.800 4.340 0.002 0.000 0.288 323 L C 0.364 177.091 176.870 -0.237 0.000 1.058 323 L CA 0.630 55.332 54.840 -0.230 0.000 0.809 323 L CB 0.696 42.618 42.059 -0.228 0.000 1.179 323 L HN 0.623 nan 8.230 nan 0.000 0.429 324 L N 3.478 124.530 121.223 -0.284 0.000 2.500 324 L HA 0.341 4.682 4.340 0.002 0.000 0.219 324 L C 0.462 177.302 176.870 -0.050 0.000 1.057 324 L CA 0.135 54.757 54.840 -0.364 0.000 0.854 324 L CB 0.067 41.519 42.059 -1.012 0.000 1.078 324 L HN 0.561 nan 8.230 nan 0.000 0.480 325 K N 0.447 120.819 120.400 -0.048 0.000 2.498 325 K HA 0.357 4.678 4.320 0.002 0.000 0.254 325 K C -1.242 175.369 176.600 0.018 0.000 0.933 325 K CA -0.552 55.771 56.287 0.060 0.000 0.806 325 K CB 2.307 34.861 32.500 0.090 0.000 1.301 325 K HN -0.248 nan 8.250 nan 0.000 0.432 326 N N 2.322 121.047 118.700 0.041 0.000 2.839 326 N HA 0.097 4.838 4.740 0.002 0.000 0.230 326 N C -1.670 173.854 175.510 0.024 0.000 1.388 326 N CA -0.285 52.781 53.050 0.026 0.000 0.747 326 N CB 0.682 39.202 38.487 0.054 0.000 1.411 326 N HN 0.393 nan 8.380 nan 0.000 0.556 327 K N 0.967 121.377 120.400 0.016 0.000 2.118 327 K HA 0.310 4.631 4.320 0.002 0.000 0.264 327 K C 0.206 176.804 176.600 -0.004 0.000 1.000 327 K CA -0.522 55.773 56.287 0.013 0.000 0.929 327 K CB 0.575 33.085 32.500 0.017 0.000 1.021 327 K HN 0.446 nan 8.250 nan 0.000 0.463 328 N N 1.635 120.332 118.700 -0.004 0.000 2.708 328 N HA -0.235 4.506 4.740 0.002 0.000 0.251 328 N C -0.941 174.553 175.510 -0.026 0.000 1.123 328 N CA 1.206 54.248 53.050 -0.013 0.000 0.739 328 N CB -1.811 36.667 38.487 -0.014 0.000 1.113 328 N HN 0.802 nan 8.380 nan 0.000 0.561 329 N N -0.855 117.825 118.700 -0.033 0.000 2.710 329 N HA -0.232 4.510 4.740 0.002 0.000 0.249 329 N C 1.073 176.533 175.510 -0.085 0.000 1.059 329 N CA 1.046 54.058 53.050 -0.063 0.000 0.720 329 N CB -1.478 36.977 38.487 -0.052 0.000 0.983 329 N HN 0.603 nan 8.380 nan 0.000 0.544 330 I N -1.020 119.507 120.570 -0.072 0.000 2.315 330 I HA -0.235 3.937 4.170 0.002 0.000 0.251 330 I C 0.872 176.909 176.117 -0.133 0.000 1.125 330 I CA 1.320 62.570 61.300 -0.084 0.000 1.392 330 I CB -0.129 37.830 38.000 -0.068 0.000 1.065 330 I HN 0.244 nan 8.210 nan 0.000 0.424 331 L N 0.910 122.028 121.223 -0.175 0.000 2.341 331 L HA 0.445 4.786 4.340 0.002 0.000 0.267 331 L C -2.424 174.078 176.870 -0.614 0.000 1.009 331 L CA -2.058 52.600 54.840 -0.302 0.000 0.819 331 L CB 1.823 43.791 42.059 -0.151 0.000 1.323 331 L HN -0.256 nan 8.230 nan 0.000 0.425 332 P HA 0.090 nan 4.420 nan 0.000 0.271 332 P C -0.665 176.453 177.300 -0.303 0.000 1.218 332 P CA -0.540 62.229 63.100 -0.552 0.000 0.780 332 P CB 0.846 32.286 31.700 -0.432 0.000 0.901 333 L N 3.113 124.124 121.223 -0.353 0.000 2.483 333 L HA 0.097 4.438 4.340 0.002 0.000 0.275 333 L C 1.048 177.859 176.870 -0.098 0.000 1.220 333 L CA 0.876 55.517 54.840 -0.331 0.000 0.833 333 L CB -0.627 40.999 42.059 -0.721 0.000 1.102 333 L HN 0.369 nan 8.230 nan 0.000 0.490 334 K N 1.722 122.164 120.400 0.070 0.000 2.208 334 K HA 0.373 4.694 4.320 0.002 0.000 0.247 334 K C 0.775 177.540 176.600 0.276 0.000 0.953 334 K CA -0.752 55.646 56.287 0.184 0.000 0.837 334 K CB 1.176 33.727 32.500 0.085 0.000 1.131 334 K HN 0.257 nan 8.250 nan 0.000 0.431 335 K N 1.077 121.600 120.400 0.204 0.000 2.160 335 K HA -0.219 4.103 4.320 0.002 0.000 0.206 335 K C 0.245 176.892 176.600 0.079 0.000 1.047 335 K CA 1.734 58.073 56.287 0.087 0.000 0.930 335 K CB 0.069 32.563 32.500 -0.009 0.000 0.720 335 K HN 0.514 nan 8.250 nan 0.000 0.450 336 E N 0.749 120.993 120.200 0.073 0.000 2.463 336 E HA 0.044 4.396 4.350 0.002 0.000 0.193 336 E C -0.594 176.040 176.600 0.057 0.000 1.041 336 E CA -0.003 56.427 56.400 0.050 0.000 0.879 336 E CB 0.175 29.893 29.700 0.030 0.000 0.997 336 E HN 0.151 nan 8.360 nan 0.000 0.478 337 D N 1.211 121.661 120.400 0.082 0.000 2.382 337 D HA 0.010 4.651 4.640 0.002 0.000 0.245 337 D C -0.125 176.225 176.300 0.084 0.000 1.120 337 D CA -0.037 54.005 54.000 0.070 0.000 0.890 337 D CB 0.526 41.365 40.800 0.064 0.000 1.201 337 D HN -0.028 nan 8.370 nan 0.000 0.433 338 N N 1.781 120.526 118.700 0.075 0.000 2.408 338 N HA 0.339 5.081 4.740 0.002 0.000 0.257 338 N C -0.921 174.700 175.510 0.184 0.000 1.064 338 N CA -0.393 52.721 53.050 0.107 0.000 0.952 338 N CB 0.143 38.659 38.487 0.048 0.000 1.093 338 N HN 0.393 nan 8.380 nan 0.000 0.490 339 I N 0.619 121.331 120.570 0.236 0.000 2.769 339 I HA 0.568 4.740 4.170 0.002 0.000 0.298 339 I C -1.085 175.051 176.117 0.031 0.000 1.128 339 I CA -1.165 60.223 61.300 0.147 0.000 1.031 339 I CB 1.975 40.027 38.000 0.087 0.000 1.235 339 I HN 0.378 nan 8.210 nan 0.000 0.423 340 I N 4.999 125.392 120.570 -0.296 0.000 2.441 340 I HA 0.533 4.704 4.170 0.002 0.000 0.295 340 I C -1.003 175.053 176.117 -0.101 0.000 0.994 340 I CA -0.978 60.110 61.300 -0.353 0.000 1.144 340 I CB 1.973 39.510 38.000 -0.772 0.000 1.314 340 I HN 0.463 nan 8.210 nan 0.000 0.445 341 V N 8.373 128.326 119.914 0.064 0.000 2.406 341 V HA 0.398 4.519 4.120 0.002 0.000 0.272 341 V C 0.092 176.232 176.094 0.076 0.000 1.043 341 V CA -0.157 62.241 62.300 0.163 0.000 0.915 341 V CB 1.182 33.253 31.823 0.414 0.000 0.988 341 V HN 0.472 nan 8.190 nan 0.000 0.466 342 I N 3.930 124.494 120.570 -0.009 0.000 2.545 342 I HA 0.903 5.075 4.170 0.002 0.000 0.292 342 I C 0.358 176.454 176.117 -0.034 0.000 1.040 342 I CA -0.282 60.944 61.300 -0.123 0.000 1.068 342 I CB 2.188 40.091 38.000 -0.161 0.000 1.251 342 I HN 0.829 nan 8.210 nan 0.000 0.424 343 G N 5.564 114.341 108.800 -0.038 0.000 2.317 343 G HA2 0.050 4.012 3.960 0.002 0.000 0.445 343 G HA3 0.050 4.012 3.960 0.002 0.000 0.445 343 G C -2.852 172.117 174.900 0.116 0.000 1.486 343 G CA -0.749 44.366 45.100 0.025 0.000 0.991 343 G HN 0.331 nan 8.290 nan 0.000 0.660 344 P HA -0.053 nan 4.420 nan 0.000 0.220 344 P C 1.005 178.436 177.300 0.219 0.000 1.148 344 P CA 0.970 64.199 63.100 0.215 0.000 0.803 344 P CB 0.218 32.053 31.700 0.225 0.000 0.782 345 N N -0.921 117.893 118.700 0.190 0.000 2.280 345 N HA 0.133 4.874 4.740 0.002 0.000 0.192 345 N C 1.548 177.168 175.510 0.184 0.000 1.109 345 N CA 0.358 53.521 53.050 0.188 0.000 0.855 345 N CB -0.223 38.377 38.487 0.187 0.000 0.974 345 N HN 0.036 nan 8.380 nan 0.000 0.482 346 A N 1.086 124.030 122.820 0.206 0.000 1.873 346 A HA -0.051 4.271 4.320 0.002 0.000 0.215 346 A C 1.887 179.588 177.584 0.196 0.000 1.186 346 A CA 1.156 53.335 52.037 0.238 0.000 0.616 346 A CB -0.066 19.134 19.000 0.332 0.000 0.823 346 A HN 0.111 nan 8.150 nan 0.000 0.442 347 K N -0.103 120.367 120.400 0.117 0.000 2.444 347 K HA 0.316 4.638 4.320 0.002 0.000 0.193 347 K C 0.626 177.266 176.600 0.067 0.000 1.024 347 K CA 0.339 56.628 56.287 0.002 0.000 1.077 347 K CB -0.046 32.332 32.500 -0.203 0.000 0.833 347 K HN 0.446 nan 8.250 nan 0.000 0.517 348 A N 1.806 124.694 122.820 0.113 0.000 2.386 348 A HA 0.123 4.445 4.320 0.002 0.000 0.248 348 A C -0.157 177.485 177.584 0.098 0.000 1.082 348 A CA -0.022 52.078 52.037 0.105 0.000 0.789 348 A CB 0.234 19.315 19.000 0.134 0.000 1.025 348 A HN 0.129 nan 8.150 nan 0.000 0.490 349 K N 1.525 121.967 120.400 0.071 0.000 2.598 349 K HA 0.188 4.510 4.320 0.002 0.000 0.226 349 K C -0.024 176.597 176.600 0.034 0.000 1.156 349 K CA 0.123 56.447 56.287 0.061 0.000 1.122 349 K CB 0.333 32.861 32.500 0.047 0.000 1.739 349 K HN 0.725 nan 8.250 nan 0.000 0.472 350 T N -1.783 112.810 114.554 0.064 0.000 3.766 350 T HA 0.034 4.385 4.350 0.002 0.000 0.327 350 T C 1.207 175.911 174.700 0.007 0.000 1.595 350 T CA -0.581 61.520 62.100 0.001 0.000 1.204 350 T CB 0.298 69.220 68.868 0.090 0.000 1.245 350 T HN 0.223 nan 8.240 nan 0.000 0.875 351 S N 1.452 117.130 115.700 -0.037 0.000 2.453 351 S HA 0.135 4.606 4.470 0.002 0.000 0.231 351 S C 0.974 175.569 174.600 -0.008 0.000 1.005 351 S CA 0.130 58.335 58.200 0.007 0.000 0.949 351 S CB -0.395 62.786 63.200 -0.032 0.000 0.774 351 S HN 1.067 nan 8.310 nan 0.000 0.510 352 S N -0.939 114.631 115.700 -0.217 0.000 2.588 352 S HA 0.710 5.182 4.470 0.002 0.000 0.269 352 S C -0.005 174.180 174.600 -0.692 0.000 1.157 352 S CA -0.576 57.479 58.200 -0.242 0.000 0.824 352 S CB 0.789 63.934 63.200 -0.093 0.000 1.126 352 S HN 0.525 nan 8.310 nan 0.000 0.464 353 G N -0.213 108.052 108.800 -0.891 0.000 2.653 353 G HA2 0.540 4.502 3.960 0.002 0.000 0.265 353 G HA3 0.540 4.502 3.960 0.002 0.000 0.265 353 G C 0.430 174.853 174.900 -0.795 0.000 1.237 353 G CA -0.344 43.801 45.100 -1.591 0.000 0.946 353 G HN 1.152 nan 8.290 nan 0.000 0.522 354 G N -2.015 106.460 108.800 -0.542 0.000 2.448 354 G HA2 0.649 4.611 3.960 0.002 0.000 0.285 354 G HA3 0.649 4.611 3.960 0.002 0.000 0.285 354 G C 0.532 175.391 174.900 -0.068 0.000 1.176 354 G CA 0.648 45.586 45.100 -0.270 0.000 0.852 354 G HN 1.911 nan 8.290 nan 0.000 0.530 355 G N 0.211 108.932 108.800 -0.132 0.000 2.443 355 G HA2 0.028 3.990 3.960 0.002 0.000 0.209 355 G HA3 0.028 3.990 3.960 0.002 0.000 0.209 355 G C 1.433 176.507 174.900 0.289 0.000 1.176 355 G CA 0.715 45.834 45.100 0.032 0.000 1.074 355 G HN 1.884 nan 8.290 nan 0.000 0.577 356 S N 0.361 116.272 115.700 0.351 0.000 2.522 356 S HA 0.400 4.871 4.470 0.002 0.000 0.227 356 S C 2.298 176.967 174.600 0.114 0.000 0.986 356 S CA 1.529 59.912 58.200 0.305 0.000 0.929 356 S CB 0.038 63.358 63.200 0.200 0.000 0.769 356 S HN 2.079 nan 8.310 nan 0.000 0.529 357 A N 1.653 124.559 122.820 0.144 0.000 2.123 357 A HA 0.323 4.644 4.320 0.002 0.000 0.214 357 A C 1.552 179.168 177.584 0.055 0.000 1.152 357 A CA 0.507 52.598 52.037 0.090 0.000 0.728 357 A CB -0.571 18.547 19.000 0.196 0.000 0.814 357 A HN 0.715 nan 8.150 nan 0.000 0.464 361 S N 2.369 117.969 115.700 -0.166 0.000 2.584 361 S HA 0.219 4.691 4.470 0.002 0.000 0.273 361 S C 0.930 175.430 174.600 -0.166 0.000 1.311 361 S CA -0.359 57.683 58.200 -0.263 0.000 1.034 361 S CB 0.354 63.414 63.200 -0.233 0.000 0.939 361 S HN 0.455 nan 8.310 nan 0.000 0.513 362 Y N 1.221 121.438 120.300 -0.138 0.000 2.069 362 Y HA -0.117 4.434 4.550 0.002 0.000 0.278 362 Y C 0.842 176.790 175.900 0.080 0.000 1.175 362 Y CA 1.060 59.142 58.100 -0.030 0.000 1.134 362 Y CB -0.801 37.658 38.460 -0.000 0.000 0.965 362 Y HN 0.795 nan 8.280 nan 0.000 0.498 363 Y N -5.852 114.529 120.300 0.136 0.000 2.732 363 Y HA 0.590 5.141 4.550 0.002 0.000 0.342 363 Y C -1.864 174.067 175.900 0.051 0.000 1.203 363 Y CA -2.453 55.693 58.100 0.078 0.000 1.092 363 Y CB 0.708 39.215 38.460 0.079 0.000 1.345 363 Y HN -0.371 nan 8.280 nan 0.000 0.458 364 V N 2.290 122.283 119.914 0.132 0.000 2.531 364 V HA 0.478 4.600 4.120 0.002 0.000 0.301 364 V C -0.649 175.593 176.094 0.246 0.000 1.034 364 V CA -1.021 61.334 62.300 0.092 0.000 0.865 364 V CB 1.774 33.615 31.823 0.029 0.000 0.995 364 V HN 0.728 nan 8.190 nan 0.000 0.424 365 V N 4.836 124.920 119.914 0.283 0.000 2.387 365 V HA 0.195 4.317 4.120 0.002 0.000 0.260 365 V C 0.975 177.158 176.094 0.148 0.000 1.054 365 V CA -0.085 62.339 62.300 0.206 0.000 0.967 365 V CB 0.884 32.822 31.823 0.191 0.000 1.036 365 V HN 1.074 nan 8.190 nan 0.000 0.481 366 S N 6.466 122.248 115.700 0.137 0.000 2.572 366 S HA 0.172 4.643 4.470 0.002 0.000 0.267 366 S C -1.499 173.188 174.600 0.146 0.000 1.361 366 S CA -0.629 57.655 58.200 0.140 0.000 1.009 366 S CB 0.676 63.963 63.200 0.146 0.000 0.888 366 S HN 0.499 nan 8.310 nan 0.000 0.553 367 P HA -0.080 nan 4.420 nan 0.000 0.216 367 P C 1.289 178.680 177.300 0.153 0.000 1.153 367 P CA 1.113 64.301 63.100 0.148 0.000 0.848 367 P CB -0.228 31.563 31.700 0.153 0.000 0.787 368 Y N 1.586 121.928 120.300 0.070 0.000 2.081 368 Y HA -0.258 4.293 4.550 0.002 0.000 0.280 368 Y C 2.166 178.086 175.900 0.033 0.000 1.163 368 Y CA 1.864 59.995 58.100 0.051 0.000 1.135 368 Y CB -0.864 37.594 38.460 -0.003 0.000 0.970 368 Y HN -0.022 nan 8.280 nan 0.000 0.498 369 E N -0.565 119.679 120.200 0.073 0.000 2.171 369 E HA -0.219 4.133 4.350 0.002 0.000 0.197 369 E C 2.356 178.919 176.600 -0.062 0.000 0.997 369 E CA 0.926 57.312 56.400 -0.024 0.000 0.810 369 E CB -0.537 29.205 29.700 0.070 0.000 0.738 369 E HN 0.697 nan 8.360 nan 0.000 0.467 370 G N 1.083 109.880 108.800 -0.005 0.000 2.402 370 G HA2 -0.217 3.744 3.960 0.002 0.000 0.216 370 G HA3 -0.217 3.744 3.960 0.002 0.000 0.216 370 G C 1.569 176.454 174.900 -0.025 0.000 1.162 370 G CA 0.443 45.550 45.100 0.011 0.000 0.777 370 G HN 0.137 nan 8.290 nan 0.000 0.539 371 I N 0.259 120.802 120.570 -0.044 0.000 2.439 371 I HA -0.084 4.087 4.170 0.002 0.000 0.251 371 I C 2.646 178.665 176.117 -0.163 0.000 1.139 371 I CA 0.169 61.448 61.300 -0.036 0.000 1.438 371 I CB -0.006 38.006 38.000 0.020 0.000 1.085 371 I HN 0.018 nan 8.210 nan 0.000 0.427 372 V N 1.266 121.021 119.914 -0.265 0.000 2.323 372 V HA -0.231 3.891 4.120 0.002 0.000 0.244 372 V C 2.133 178.132 176.094 -0.157 0.000 1.041 372 V CA 1.741 63.890 62.300 -0.252 0.000 1.025 372 V CB -0.718 30.900 31.823 -0.341 0.000 0.656 372 V HN 0.456 nan 8.190 nan 0.000 0.451 373 N N 0.380 119.005 118.700 -0.126 0.000 2.149 373 N HA -0.205 4.537 4.740 0.002 0.000 0.188 373 N C 1.812 177.253 175.510 -0.115 0.000 1.019 373 N CA 1.340 54.333 53.050 -0.096 0.000 0.857 373 N CB -0.327 38.120 38.487 -0.066 0.000 0.997 373 N HN 0.348 nan 8.380 nan 0.000 0.426 374 K N 1.280 121.589 120.400 -0.152 0.000 2.026 374 K HA 0.072 4.393 4.320 0.002 0.000 0.208 374 K C 1.900 178.339 176.600 -0.267 0.000 1.048 374 K CA 0.952 57.098 56.287 -0.235 0.000 0.929 374 K CB -0.285 31.993 32.500 -0.370 0.000 0.713 374 K HN 0.155 nan 8.250 nan 0.000 0.439 375 L N -1.412 119.665 121.223 -0.244 0.000 2.375 375 L HA 0.222 4.564 4.340 0.002 0.000 0.215 375 L C 1.029 177.828 176.870 -0.119 0.000 1.108 375 L CA 0.363 55.086 54.840 -0.195 0.000 0.830 375 L CB -0.199 41.767 42.059 -0.155 0.000 0.959 375 L HN 0.486 nan 8.230 nan 0.000 0.457 376 G N 1.892 110.627 108.800 -0.107 0.000 2.246 376 G HA2 -0.280 3.681 3.960 0.002 0.000 0.273 376 G HA3 -0.280 3.681 3.960 0.002 0.000 0.273 376 G C 0.006 174.873 174.900 -0.055 0.000 1.055 376 G CA 0.765 45.820 45.100 -0.074 0.000 0.851 376 G HN 0.553 nan 8.290 nan 0.000 0.500 377 K N -1.365 119.000 120.400 -0.058 0.000 2.625 377 K HA 0.468 4.790 4.320 0.002 0.000 0.284 377 K C -0.455 176.128 176.600 -0.029 0.000 0.984 377 K CA -1.170 55.098 56.287 -0.032 0.000 0.865 377 K CB 1.237 33.725 32.500 -0.019 0.000 1.468 377 K HN 0.111 nan 8.250 nan 0.000 0.407 378 E N 1.015 121.218 120.200 0.005 0.000 2.481 378 E HA 0.088 4.439 4.350 0.002 0.000 0.263 378 E C -0.543 176.087 176.600 0.050 0.000 0.992 378 E CA -0.008 56.415 56.400 0.039 0.000 0.938 378 E CB 0.799 30.543 29.700 0.072 0.000 0.933 378 E HN 0.263 nan 8.360 nan 0.000 0.453 379 V N 3.541 123.505 119.914 0.083 0.000 2.540 379 V HA 0.090 4.212 4.120 0.002 0.000 0.302 379 V C -0.304 175.952 176.094 0.270 0.000 1.035 379 V CA -1.014 61.355 62.300 0.115 0.000 0.873 379 V CB 1.922 33.727 31.823 -0.031 0.000 0.992 379 V HN 0.608 nan 8.190 nan 0.000 0.428 380 D N 2.721 123.255 120.400 0.223 0.000 2.449 380 D HA 0.243 4.885 4.640 0.002 0.000 0.236 380 D C -0.681 175.785 176.300 0.276 0.000 1.149 380 D CA 0.710 54.844 54.000 0.223 0.000 0.878 380 D CB 0.637 41.558 40.800 0.201 0.000 1.198 380 D HN 0.590 nan 8.370 nan 0.000 0.446 381 Y N -0.296 120.048 120.300 0.072 0.000 2.482 381 Y HA 0.383 4.934 4.550 0.002 0.000 0.334 381 Y C -1.295 174.578 175.900 -0.046 0.000 1.091 381 Y CA -0.516 57.588 58.100 0.007 0.000 1.027 381 Y CB 2.055 40.449 38.460 -0.110 0.000 1.306 381 Y HN 0.294 nan 8.280 nan 0.000 0.446 382 T N 4.869 118.849 114.554 -0.957 0.000 2.933 382 T HA 0.269 4.621 4.350 0.002 0.000 0.305 382 T C -0.084 173.913 174.700 -1.172 0.000 1.092 382 T CA -0.103 61.437 62.100 -0.932 0.000 1.008 382 T CB 1.669 70.304 68.868 -0.389 0.000 1.102 382 T HN 0.756 nan 8.240 nan 0.000 0.469 383 V N 4.194 123.645 119.914 -0.773 0.000 2.427 383 V HA 0.200 4.321 4.120 0.002 0.000 0.248 383 V C 2.055 178.000 176.094 -0.247 0.000 1.051 383 V CA 3.136 65.220 62.300 -0.360 0.000 1.048 383 V CB -1.000 30.782 31.823 -0.068 0.000 0.666 383 V HN 1.385 nan 8.190 nan 0.000 0.456 384 G N -0.207 108.437 108.800 -0.260 0.000 2.990 384 G HA2 -0.114 3.848 3.960 0.002 0.000 0.225 384 G HA3 -0.114 3.848 3.960 0.002 0.000 0.225 384 G C 0.436 175.240 174.900 -0.160 0.000 1.304 384 G CA 0.360 45.346 45.100 -0.190 0.000 0.816 384 G HN 2.039 nan 8.290 nan 0.000 0.528 385 A N -1.890 120.846 122.820 -0.141 0.000 2.583 385 A HA 0.642 4.964 4.320 0.002 0.000 0.292 385 A C -1.152 176.432 177.584 -0.001 0.000 1.045 385 A CA -0.419 51.546 52.037 -0.121 0.000 0.672 385 A CB 0.375 19.352 19.000 -0.039 0.000 1.283 385 A HN 1.142 nan 8.150 nan 0.000 0.419 386 Y N 0.856 121.207 120.300 0.085 0.000 2.335 386 Y HA 0.567 5.118 4.550 0.002 0.000 0.323 386 Y C 1.494 177.454 175.900 0.101 0.000 1.224 386 Y CA -0.195 58.000 58.100 0.159 0.000 1.241 386 Y CB 1.821 40.437 38.460 0.260 0.000 1.235 386 Y HN 0.972 nan 8.280 nan 0.000 0.492 387 S N -1.148 114.757 115.700 0.341 0.000 3.067 387 S HA 0.138 4.609 4.470 0.002 0.000 0.253 387 S C -0.667 174.157 174.600 0.372 0.000 0.942 387 S CA -0.706 57.638 58.200 0.239 0.000 1.197 387 S CB -1.434 61.886 63.200 0.201 0.000 1.143 387 S HN 0.784 nan 8.310 nan 0.000 0.638 388 H N 0.611 119.860 119.070 0.299 0.000 2.852 388 H HA 0.461 5.018 4.556 0.002 0.000 0.362 388 H C 1.156 176.600 175.328 0.194 0.000 1.122 388 H CA 0.016 56.181 56.048 0.194 0.000 1.419 388 H CB 0.775 30.536 29.762 -0.002 0.000 1.401 388 H HN 0.173 nan 8.280 nan 0.000 0.609 389 K N 1.216 121.518 120.400 -0.164 0.000 2.128 389 K HA 0.004 4.326 4.320 0.002 0.000 0.202 389 K C 0.042 176.508 176.600 -0.224 0.000 1.050 389 K CA 0.865 56.767 56.287 -0.642 0.000 0.966 389 K CB 0.307 31.898 32.500 -1.515 0.000 0.759 389 K HN 0.770 nan 8.250 nan 0.000 0.454 390 S N -0.701 114.958 115.700 -0.070 0.000 2.667 390 S HA 0.472 4.943 4.470 0.002 0.000 0.292 390 S C -0.425 174.226 174.600 0.085 0.000 1.126 390 S CA -1.056 57.171 58.200 0.045 0.000 0.881 390 S CB 1.373 64.564 63.200 -0.015 0.000 1.132 390 S HN 0.112 nan 8.310 nan 0.000 0.492 391 I N 2.322 122.891 120.570 -0.002 0.000 2.297 391 I HA 0.497 4.668 4.170 0.002 0.000 0.291 391 I C 1.010 177.053 176.117 -0.123 0.000 1.033 391 I CA -0.170 61.025 61.300 -0.175 0.000 1.253 391 I CB 0.823 38.721 38.000 -0.169 0.000 1.396 391 I HN 0.961 nan 8.210 nan 0.000 0.476 392 G N 3.082 111.798 108.800 -0.140 0.000 3.310 392 G HA2 0.532 4.493 3.960 0.002 0.000 0.176 392 G HA3 0.532 4.493 3.960 0.002 0.000 0.176 392 G C 0.808 175.642 174.900 -0.111 0.000 1.307 392 G CA -0.080 44.962 45.100 -0.097 0.000 0.935 392 G HN 0.843 nan 8.290 nan 0.000 0.628 393 G N -1.202 107.550 108.800 -0.079 0.000 2.159 393 G HA2 -0.185 3.776 3.960 0.002 0.000 0.256 393 G HA3 -0.185 3.776 3.960 0.002 0.000 0.256 393 G C 1.113 175.987 174.900 -0.043 0.000 0.977 393 G CA 1.071 46.133 45.100 -0.063 0.000 0.652 393 G HN 1.126 nan 8.290 nan 0.000 0.531 394 L N 0.530 121.723 121.223 -0.050 0.000 2.145 394 L HA 0.686 5.028 4.340 0.002 0.000 0.201 394 L C 2.909 179.797 176.870 0.029 0.000 1.075 394 L CA 2.594 57.408 54.840 -0.043 0.000 0.773 394 L CB -0.803 41.236 42.059 -0.033 0.000 0.936 394 L HN 0.558 nan 8.230 nan 0.000 0.451 395 A N -0.436 122.397 122.820 0.022 0.000 1.978 395 A HA -0.217 4.105 4.320 0.002 0.000 0.220 395 A C 2.030 179.652 177.584 0.062 0.000 1.170 395 A CA 1.883 53.947 52.037 0.047 0.000 0.636 395 A CB -0.624 18.393 19.000 0.029 0.000 0.810 395 A HN 0.577 nan 8.150 nan 0.000 0.448 396 E N 0.186 120.415 120.200 0.049 0.000 2.204 396 E HA -0.057 4.294 4.350 0.002 0.000 0.194 396 E C 1.406 178.056 176.600 0.083 0.000 0.989 396 E CA 1.201 57.634 56.400 0.054 0.000 0.824 396 E CB -0.056 29.665 29.700 0.035 0.000 0.756 396 E HN 0.676 nan 8.360 nan 0.000 0.477 397 S N -1.076 114.697 115.700 0.121 0.000 2.668 397 S HA 0.464 4.935 4.470 0.002 0.000 0.244 397 S C -0.082 174.689 174.600 0.286 0.000 1.140 397 S CA -0.708 57.603 58.200 0.184 0.000 1.134 397 S CB 0.463 63.794 63.200 0.219 0.000 0.954 397 S HN -0.093 nan 8.310 nan 0.000 0.490 398 S N 0.791 116.622 115.700 0.219 0.000 2.667 398 S HA 0.805 5.277 4.470 0.002 0.000 0.292 398 S C -0.929 173.760 174.600 0.148 0.000 1.126 398 S CA -0.810 57.537 58.200 0.244 0.000 0.881 398 S CB 1.361 64.706 63.200 0.243 0.000 1.132 398 S HN 0.507 nan 8.310 nan 0.000 0.492 399 L N 1.299 122.603 121.223 0.134 0.000 2.354 399 L HA 0.558 4.900 4.340 0.002 0.000 0.264 399 L C 0.691 177.617 176.870 0.093 0.000 1.008 399 L CA -0.791 54.105 54.840 0.094 0.000 0.819 399 L CB 1.287 43.386 42.059 0.068 0.000 1.339 399 L HN 0.651 nan 8.230 nan 0.000 0.420 400 I N -0.216 120.399 120.570 0.075 0.000 2.252 400 I HA -0.097 4.074 4.170 0.002 0.000 0.245 400 I C 0.298 176.452 176.117 0.062 0.000 1.102 400 I CA 1.501 62.843 61.300 0.070 0.000 1.385 400 I CB 0.071 38.107 38.000 0.060 0.000 1.064 400 I HN 0.601 nan 8.210 nan 0.000 0.414 401 D N 0.098 120.528 120.400 0.051 0.000 2.602 401 D HA 0.339 4.981 4.640 0.002 0.000 0.245 401 D C 0.277 176.597 176.300 0.034 0.000 1.325 401 D CA -0.353 53.671 54.000 0.040 0.000 0.952 401 D CB 1.857 42.677 40.800 0.032 0.000 1.317 401 D HN 0.080 nan 8.370 nan 0.000 0.577 402 A N 2.921 125.760 122.820 0.031 0.000 2.248 402 A HA 0.242 4.563 4.320 0.002 0.000 0.210 402 A C 1.770 179.359 177.584 0.009 0.000 1.174 402 A CA 1.330 53.379 52.037 0.020 0.000 0.750 402 A CB -0.150 18.857 19.000 0.012 0.000 0.780 402 A HN 0.560 nan 8.150 nan 0.000 0.478 403 A N 0.076 122.902 122.820 0.010 0.000 1.874 403 A HA 0.087 4.408 4.320 0.002 0.000 0.214 403 A C 1.355 178.945 177.584 0.009 0.000 1.189 403 A CA 0.701 52.742 52.037 0.006 0.000 0.615 403 A CB -0.088 18.915 19.000 0.006 0.000 0.830 403 A HN 0.487 nan 8.150 nan 0.000 0.443 404 K N 0.477 120.885 120.400 0.015 0.000 2.120 404 K HA 0.337 4.658 4.320 0.002 0.000 0.245 404 K C -2.492 174.118 176.600 0.017 0.000 1.024 404 K CA -1.806 54.490 56.287 0.016 0.000 0.906 404 K CB -0.021 32.490 32.500 0.019 0.000 1.051 404 K HN 0.197 nan 8.250 nan 0.000 0.491 405 P HA 0.033 nan 4.420 nan 0.000 0.274 405 P C -0.949 176.365 177.300 0.022 0.000 1.256 405 P CA -0.342 62.768 63.100 0.017 0.000 0.795 405 P CB 0.442 32.151 31.700 0.015 0.000 1.038 406 A N 1.055 123.889 122.820 0.023 0.000 3.077 406 A HA 0.100 4.422 4.320 0.002 0.000 0.255 406 A C 0.465 178.066 177.584 0.028 0.000 1.728 406 A CA -0.019 52.035 52.037 0.028 0.000 1.383 406 A CB -1.458 17.558 19.000 0.027 0.000 1.097 406 A HN 0.357 nan 8.150 nan 0.000 0.634 407 D N 0.523 120.940 120.400 0.028 0.000 2.377 407 D HA 0.450 5.091 4.640 0.002 0.000 0.245 407 D C 1.540 177.858 176.300 0.030 0.000 1.196 407 D CA 0.610 54.626 54.000 0.026 0.000 0.962 407 D CB 1.305 42.120 40.800 0.025 0.000 1.127 407 D HN 0.293 nan 8.370 nan 0.000 0.471 408 A N 1.620 124.457 122.820 0.027 0.000 1.851 408 A HA -0.212 4.109 4.320 0.002 0.000 0.216 408 A C 1.758 179.361 177.584 0.032 0.000 1.195 408 A CA 2.078 54.133 52.037 0.030 0.000 0.622 408 A CB -0.801 18.215 19.000 0.026 0.000 0.831 408 A HN 0.786 nan 8.150 nan 0.000 0.444 409 E N -0.737 119.481 120.200 0.029 0.000 2.338 409 E HA -0.190 4.162 4.350 0.002 0.000 0.197 409 E C 1.324 177.946 176.600 0.035 0.000 1.007 409 E CA 1.451 57.869 56.400 0.030 0.000 0.849 409 E CB -0.330 29.386 29.700 0.027 0.000 0.774 409 E HN 0.609 nan 8.360 nan 0.000 0.506 410 N N 0.108 118.830 118.700 0.036 0.000 2.220 410 N HA 0.031 4.773 4.740 0.002 0.000 0.195 410 N C -0.603 174.936 175.510 0.049 0.000 1.123 410 N CA -0.059 53.016 53.050 0.041 0.000 0.874 410 N CB 0.819 39.328 38.487 0.036 0.000 0.995 410 N HN -0.107 nan 8.380 nan 0.000 0.498 411 S N -0.014 115.715 115.700 0.048 0.000 2.465 411 S HA 0.645 5.116 4.470 0.002 0.000 0.279 411 S C 0.282 174.919 174.600 0.062 0.000 1.201 411 S CA 0.286 58.520 58.200 0.056 0.000 1.053 411 S CB 0.520 63.751 63.200 0.051 0.000 0.953 411 S HN 0.640 nan 8.310 nan 0.000 0.488 412 G N 2.962 111.808 108.800 0.075 0.000 2.265 412 G HA2 0.008 3.970 3.960 0.002 0.000 0.246 412 G HA3 0.008 3.970 3.960 0.002 0.000 0.246 412 G C -1.752 173.202 174.900 0.091 0.000 1.299 412 G CA -0.893 44.254 45.100 0.079 0.000 1.117 412 G HN 0.667 nan 8.290 nan 0.000 0.485 413 L N -0.100 121.177 121.223 0.089 0.000 2.309 413 L HA 0.738 5.080 4.340 0.002 0.000 0.261 413 L C -0.232 176.696 176.870 0.098 0.000 1.021 413 L CA -1.234 53.664 54.840 0.096 0.000 0.823 413 L CB 2.008 44.123 42.059 0.093 0.000 1.366 413 L HN 0.453 nan 8.230 nan 0.000 0.423 414 I N 1.430 122.057 120.570 0.095 0.000 2.378 414 I HA 0.464 4.635 4.170 0.002 0.000 0.291 414 I C -0.124 176.052 176.117 0.098 0.000 0.992 414 I CA -0.262 61.096 61.300 0.097 0.000 1.154 414 I CB 1.761 39.808 38.000 0.079 0.000 1.315 414 I HN 0.632 nan 8.210 nan 0.000 0.448 415 A N 7.682 130.576 122.820 0.123 0.000 2.273 415 A HA 0.584 4.905 4.320 0.002 0.000 0.315 415 A C -0.324 177.285 177.584 0.043 0.000 1.256 415 A CA -0.672 51.404 52.037 0.065 0.000 0.851 415 A CB 0.523 19.597 19.000 0.124 0.000 1.172 415 A HN 0.681 nan 8.150 nan 0.000 0.508 416 K N 1.729 122.104 120.400 -0.043 0.000 2.206 416 K HA 0.555 4.877 4.320 0.002 0.000 0.264 416 K C -1.558 174.880 176.600 -0.271 0.000 0.967 416 K CA -0.057 56.180 56.287 -0.082 0.000 0.844 416 K CB 1.574 34.086 32.500 0.019 0.000 1.099 416 K HN 0.605 nan 8.250 nan 0.000 0.441 417 F N 2.782 122.423 119.950 -0.514 0.000 2.427 417 F HA 0.368 4.896 4.527 0.002 0.000 0.346 417 F C -0.401 174.812 175.800 -0.978 0.000 1.120 417 F CA -0.602 56.989 58.000 -0.682 0.000 1.033 417 F CB 0.840 39.135 39.000 -1.175 0.000 1.126 417 F HN 0.390 nan 8.300 nan 0.000 0.462 418 Y N 0.471 120.801 120.300 0.050 0.000 2.499 418 Y HA 0.239 4.791 4.550 0.002 0.000 0.347 418 Y C 1.036 177.399 175.900 0.772 0.000 0.987 418 Y CA -0.806 57.499 58.100 0.342 0.000 1.044 418 Y CB 2.081 40.667 38.460 0.209 0.000 1.245 418 Y HN 0.482 nan 8.280 nan 0.000 0.461 419 S N 0.788 117.032 115.700 0.906 0.000 2.447 419 S HA -0.060 4.411 4.470 0.002 0.000 0.233 419 S C -0.116 174.855 174.600 0.619 0.000 1.006 419 S CA 0.823 59.441 58.200 0.698 0.000 0.957 419 S CB -0.384 63.081 63.200 0.441 0.000 0.773 419 S HN 0.661 nan 8.310 nan 0.000 0.507 420 N N 0.449 119.389 118.700 0.400 0.000 2.262 420 N HA 0.421 5.162 4.740 0.002 0.000 0.295 420 N C -2.967 172.163 175.510 -0.634 0.000 1.161 420 N CA -1.696 51.333 53.050 -0.035 0.000 0.767 420 N CB 1.709 40.201 38.487 0.009 0.000 1.499 420 N HN -0.059 nan 8.380 nan 0.000 0.476 421 P HA -0.023 nan 4.420 nan 0.000 0.275 421 P C 0.561 177.515 177.300 -0.577 0.000 1.270 421 P CA -0.289 62.043 63.100 -1.280 0.000 0.791 421 P CB 0.836 31.899 31.700 -1.061 0.000 1.089 422 V N -0.635 119.032 119.914 -0.411 0.000 2.591 422 V HA -0.108 4.014 4.120 0.002 0.000 0.249 422 V C 1.043 176.998 176.094 -0.233 0.000 1.053 422 V CA 1.677 63.787 62.300 -0.317 0.000 1.068 422 V CB -0.782 30.895 31.823 -0.243 0.000 0.689 422 V HN 0.511 nan 8.190 nan 0.000 0.462 430 E N 4.016 124.356 120.200 0.234 0.000 2.301 430 E HA 0.313 4.664 4.350 0.002 0.000 0.275 430 E C -2.188 174.477 176.600 0.107 0.000 1.030 430 E CA -1.789 54.722 56.400 0.186 0.000 0.852 430 E CB 1.307 31.081 29.700 0.124 0.000 1.060 430 E HN 0.312 nan 8.360 nan 0.000 0.401 431 P HA 0.010 nan 4.420 nan 0.000 0.276 431 P C 0.374 177.549 177.300 -0.209 0.000 1.230 431 P CA -0.062 62.650 63.100 -0.646 0.000 0.776 431 P CB 0.202 31.446 31.700 -0.761 0.000 0.888 432 F N 0.565 120.449 119.950 -0.109 0.000 2.604 432 F HA 0.182 4.710 4.527 0.002 0.000 0.298 432 F C 0.614 176.426 175.800 0.019 0.000 1.131 432 F CA 0.290 58.293 58.000 0.005 0.000 1.457 432 F CB -0.655 38.367 39.000 0.037 0.000 1.095 432 F HN 0.331 nan 8.300 nan 0.000 0.574 433 H N -0.565 118.265 119.070 -0.400 0.000 3.085 433 H HA 0.650 5.207 4.556 0.002 0.000 0.356 433 H C -1.874 173.419 175.328 -0.059 0.000 1.178 433 H CA -1.132 54.769 56.048 -0.244 0.000 1.214 433 H CB 2.076 31.506 29.762 -0.555 0.000 1.881 433 H HN -0.123 nan 8.280 nan 0.000 0.538 434 V N 4.218 123.909 119.914 -0.372 0.000 2.623 434 V HA 0.587 4.709 4.120 0.002 0.000 0.304 434 V C -0.630 175.383 176.094 -0.135 0.000 1.054 434 V CA -0.507 61.723 62.300 -0.115 0.000 0.882 434 V CB 1.951 33.733 31.823 -0.069 0.000 1.002 434 V HN 0.940 nan 8.190 nan 0.000 0.424 435 T N 3.860 118.489 114.554 0.125 0.000 2.916 435 T HA 0.376 4.728 4.350 0.002 0.000 0.305 435 T C -0.863 173.948 174.700 0.185 0.000 1.119 435 T CA -0.724 61.484 62.100 0.180 0.000 1.008 435 T CB 2.138 71.274 68.868 0.446 0.000 1.129 435 T HN 0.487 nan 8.240 nan 0.000 0.480 436 K N 2.912 123.376 120.400 0.107 0.000 2.262 436 K HA 0.460 4.781 4.320 0.002 0.000 0.282 436 K C -0.814 175.833 176.600 0.078 0.000 1.066 436 K CA -0.310 56.030 56.287 0.089 0.000 0.901 436 K CB 0.609 33.142 32.500 0.054 0.000 1.089 436 K HN 0.405 nan 8.250 nan 0.000 0.476 437 V N 5.348 125.329 119.914 0.113 0.000 2.407 437 V HA 0.170 4.292 4.120 0.002 0.000 0.278 437 V C 0.906 177.037 176.094 0.062 0.000 1.037 437 V CA -0.608 61.755 62.300 0.104 0.000 0.900 437 V CB 1.250 33.180 31.823 0.178 0.000 0.983 437 V HN 0.732 nan 8.190 nan 0.000 0.459 438 N N 3.590 122.310 118.700 0.033 0.000 2.348 438 N HA 0.139 4.880 4.740 0.002 0.000 0.183 438 N C 0.427 175.954 175.510 0.028 0.000 1.094 438 N CA 0.096 53.165 53.050 0.032 0.000 0.885 438 N CB 0.834 39.335 38.487 0.022 0.000 1.065 438 N HN 0.549 nan 8.380 nan 0.000 0.472 439 R N 0.283 120.797 120.500 0.024 0.000 2.494 439 R HA 0.383 4.725 4.340 0.002 0.000 0.305 439 R C 0.576 176.879 176.300 0.004 0.000 0.959 439 R CA -0.298 55.812 56.100 0.017 0.000 0.864 439 R CB 1.660 31.973 30.300 0.022 0.000 1.159 439 R HN -0.108 nan 8.270 nan 0.000 0.446 440 S N 1.284 116.973 115.700 -0.019 0.000 2.399 440 S HA -0.121 4.351 4.470 0.002 0.000 0.231 440 S C 0.923 175.458 174.600 -0.108 0.000 1.022 440 S CA 1.016 59.179 58.200 -0.060 0.000 0.983 440 S CB -0.186 62.980 63.200 -0.056 0.000 0.803 440 S HN 0.502 nan 8.310 nan 0.000 0.480 441 N N 2.188 120.863 118.700 -0.042 0.000 2.402 441 N HA 0.118 4.860 4.740 0.002 0.000 0.252 441 N C -1.265 174.245 175.510 0.000 0.000 1.118 441 N CA 0.066 53.116 53.050 0.000 0.000 0.945 441 N CB 0.641 39.166 38.487 0.062 0.000 1.147 441 N HN -0.109 nan 8.380 nan 0.000 0.495 442 V N 4.629 124.425 119.914 -0.196 0.000 2.353 442 V HA 0.077 4.198 4.120 0.002 0.000 0.264 442 V C -0.118 175.962 176.094 -0.024 0.000 1.049 442 V CA -0.626 61.560 62.300 -0.191 0.000 0.896 442 V CB -0.105 31.201 31.823 -0.862 0.000 1.025 442 V HN 0.595 nan 8.190 nan 0.000 0.475 443 H N 5.126 124.271 119.070 0.124 0.000 2.661 443 H HA 0.469 5.026 4.556 0.002 0.000 0.290 443 H C 0.307 175.787 175.328 0.254 0.000 1.082 443 H CA -0.410 55.705 56.048 0.111 0.000 1.234 443 H CB 1.033 30.800 29.762 0.009 0.000 1.387 443 H HN 0.574 nan 8.280 nan 0.000 0.476 444 L N 5.156 126.351 121.223 -0.048 0.000 2.653 444 L HA 0.055 4.396 4.340 0.002 0.000 0.231 444 L C 1.412 178.398 176.870 0.193 0.000 1.153 444 L CA -0.093 54.850 54.840 0.173 0.000 0.933 444 L CB -0.261 41.954 42.059 0.260 0.000 1.175 444 L HN 0.542 nan 8.230 nan 0.000 0.473 445 F N 2.369 122.204 119.950 -0.192 0.000 2.126 445 F HA -0.256 4.272 4.527 0.002 0.000 0.299 445 F C 1.846 177.595 175.800 -0.084 0.000 1.096 445 F CA 1.989 59.920 58.000 -0.114 0.000 1.255 445 F CB 0.104 38.980 39.000 -0.207 0.000 0.997 445 F HN 0.330 nan 8.300 nan 0.000 0.479 446 D N -0.797 119.555 120.400 -0.079 0.000 2.424 446 D HA -0.010 4.632 4.640 0.002 0.000 0.220 446 D C 0.201 176.495 176.300 -0.010 0.000 1.150 446 D CA -0.546 53.149 54.000 -0.508 0.000 0.831 446 D CB -1.594 39.120 40.800 -0.143 0.000 0.981 446 D HN 0.178 nan 8.370 nan 0.000 0.500 447 F N 2.338 122.314 119.950 0.044 0.000 2.602 447 F HA 0.157 4.685 4.527 0.002 0.000 0.385 447 F C 0.503 176.333 175.800 0.050 0.000 1.063 447 F CA -0.065 57.996 58.000 0.101 0.000 1.233 447 F CB 0.500 39.562 39.000 0.104 0.000 1.067 447 F HN -0.183 nan 8.300 nan 0.000 0.564 448 K N 5.848 125.804 120.400 -0.740 0.000 2.259 448 K HA 0.404 4.725 4.320 0.002 0.000 0.252 448 K C -1.611 174.525 176.600 -0.774 0.000 0.936 448 K CA -0.717 55.267 56.287 -0.506 0.000 0.810 448 K CB 0.928 33.308 32.500 -0.200 0.000 1.143 448 K HN 0.833 nan 8.250 nan 0.000 0.427 449 H N 2.650 121.402 119.070 -0.529 0.000 3.139 449 H HA -0.022 4.535 4.556 0.002 0.000 0.325 449 H C 0.294 175.487 175.328 -0.225 0.000 1.146 449 H CA -0.300 55.505 56.048 -0.405 0.000 1.351 449 H CB 1.623 31.139 29.762 -0.410 0.000 2.005 449 H HN 0.933 nan 8.280 nan 0.000 0.517 450 E N 3.078 122.988 120.200 -0.484 0.000 2.169 450 E HA -0.213 4.138 4.350 0.002 0.000 0.202 450 E C 0.496 177.022 176.600 -0.125 0.000 1.016 450 E CA 1.204 57.438 56.400 -0.276 0.000 0.817 450 E CB 0.072 29.587 29.700 -0.308 0.000 0.736 450 E HN 0.314 nan 8.360 nan 0.000 0.462 451 K N 0.738 121.139 120.400 0.002 0.000 2.444 451 K HA 0.212 4.533 4.320 0.002 0.000 0.193 451 K C 0.006 176.463 176.600 -0.238 0.000 1.024 451 K CA -0.036 56.132 56.287 -0.199 0.000 1.077 451 K CB 0.622 32.753 32.500 -0.615 0.000 0.833 451 K HN 0.014 nan 8.250 nan 0.000 0.517 452 V N 2.279 122.149 119.914 -0.073 0.000 2.357 452 V HA 0.080 4.201 4.120 0.002 0.000 0.284 452 V C -0.336 175.808 176.094 0.083 0.000 1.018 452 V CA -1.254 61.088 62.300 0.070 0.000 0.841 452 V CB 1.728 33.645 31.823 0.158 0.000 0.991 452 V HN 0.057 nan 8.190 nan 0.000 0.437 453 D N 7.789 128.258 120.400 0.116 0.000 2.346 453 D HA 0.166 4.807 4.640 0.002 0.000 0.260 453 D C -1.469 174.904 176.300 0.121 0.000 1.252 453 D CA -1.821 52.231 54.000 0.087 0.000 0.895 453 D CB 1.963 42.808 40.800 0.076 0.000 1.097 453 D HN 0.221 nan 8.370 nan 0.000 0.489 454 P HA -0.139 nan 4.420 nan 0.000 0.219 454 P C 0.775 178.143 177.300 0.112 0.000 1.146 454 P CA 1.293 64.468 63.100 0.126 0.000 0.808 454 P CB 0.242 31.985 31.700 0.071 0.000 0.779 455 K N -1.849 118.588 120.400 0.061 0.000 2.365 455 K HA 0.018 4.340 4.320 0.002 0.000 0.197 455 K C 0.550 177.175 176.600 0.042 0.000 1.042 455 K CA 0.567 56.875 56.287 0.033 0.000 0.987 455 K CB -0.157 32.339 32.500 -0.007 0.000 0.779 455 K HN 0.058 nan 8.250 nan 0.000 0.484 456 N N 0.509 119.255 118.700 0.076 0.000 2.732 456 N HA 0.084 4.825 4.740 0.002 0.000 0.235 456 N C -2.928 172.687 175.510 0.175 0.000 1.466 456 N CA -1.491 51.615 53.050 0.093 0.000 0.751 456 N CB 0.940 39.455 38.487 0.046 0.000 1.317 456 N HN -0.189 nan 8.380 nan 0.000 0.525 457 P HA 0.020 nan 4.420 nan 0.000 0.259 457 P C -1.093 176.357 177.300 0.251 0.000 1.635 457 P CA 0.202 63.504 63.100 0.337 0.000 1.199 457 P CB -0.809 31.121 31.700 0.384 0.000 1.850 458 Y N 6.115 126.508 120.300 0.155 0.000 2.385 458 Y HA 0.486 5.037 4.550 0.002 0.000 0.341 458 Y C -0.184 175.823 175.900 0.179 0.000 0.965 458 Y CA -0.303 57.792 58.100 -0.009 0.000 1.180 458 Y CB 0.419 38.897 38.460 0.030 0.000 1.139 458 Y HN 0.294 nan 8.280 nan 0.000 0.502 459 F N 2.823 122.547 119.950 -0.377 0.000 2.978 459 F HA 0.689 5.217 4.527 0.002 0.000 0.324 459 F C -2.567 172.886 175.800 -0.580 0.000 1.157 459 F CA -2.133 55.814 58.000 -0.089 0.000 0.879 459 F CB 0.944 40.227 39.000 0.471 0.000 1.364 459 F HN 0.117 nan 8.300 nan 0.000 0.465 460 F N 0.748 120.901 119.950 0.339 0.000 2.576 460 F HA 0.775 5.303 4.527 0.002 0.000 0.313 460 F C -0.767 175.124 175.800 0.152 0.000 1.078 460 F CA -1.278 56.755 58.000 0.055 0.000 0.921 460 F CB 2.417 41.420 39.000 0.004 0.000 1.232 460 F HN 0.423 nan 8.300 nan 0.000 0.459 461 V N 1.234 121.251 119.914 0.171 0.000 2.540 461 V HA 0.480 4.602 4.120 0.002 0.000 0.302 461 V C -0.622 175.464 176.094 -0.013 0.000 1.035 461 V CA -0.683 61.577 62.300 -0.066 0.000 0.873 461 V CB 2.080 33.783 31.823 -0.200 0.000 0.992 461 V HN 0.785 nan 8.190 nan 0.000 0.428 462 T N 6.173 120.743 114.554 0.027 0.000 2.770 462 T HA 0.529 4.881 4.350 0.002 0.000 0.297 462 T C -0.577 174.134 174.700 0.018 0.000 0.997 462 T CA -0.141 61.983 62.100 0.041 0.000 0.949 462 T CB 0.846 69.783 68.868 0.115 0.000 0.941 462 T HN 0.395 nan 8.240 nan 0.000 0.457 463 L N 5.124 126.352 121.223 0.008 0.000 2.296 463 L HA 0.751 5.093 4.340 0.002 0.000 0.286 463 L C 0.099 177.002 176.870 0.055 0.000 1.023 463 L CA 0.092 54.962 54.840 0.050 0.000 0.812 463 L CB 1.187 43.317 42.059 0.119 0.000 1.223 463 L HN 0.753 nan 8.230 nan 0.000 0.421 464 T N 1.468 116.067 114.554 0.074 0.000 2.900 464 T HA 0.999 5.351 4.350 0.002 0.000 0.303 464 T C -0.280 174.480 174.700 0.099 0.000 1.142 464 T CA -0.200 61.952 62.100 0.086 0.000 1.007 464 T CB 1.791 70.706 68.868 0.077 0.000 1.156 464 T HN 1.079 nan 8.240 nan 0.000 0.490 465 G N 0.588 109.459 108.800 0.118 0.000 2.336 465 G HA2 0.488 4.449 3.960 0.002 0.000 0.286 465 G HA3 0.488 4.449 3.960 0.002 0.000 0.286 465 G C -2.265 172.729 174.900 0.157 0.000 1.269 465 G CA -0.872 44.303 45.100 0.124 0.000 0.873 465 G HN 0.844 nan 8.290 nan 0.000 0.494 466 Q N -0.657 119.245 119.800 0.169 0.000 2.356 466 Q HA 0.537 4.878 4.340 0.002 0.000 0.270 466 Q C -1.992 174.169 176.000 0.269 0.000 1.058 466 Q CA -0.781 55.138 55.803 0.194 0.000 0.802 466 Q CB 3.202 32.011 28.738 0.119 0.000 1.303 466 Q HN 0.573 nan 8.270 nan 0.000 0.444 467 Y N 1.406 121.814 120.300 0.179 0.000 2.350 467 Y HA 0.488 5.040 4.550 0.002 0.000 0.338 467 Y C -1.446 174.583 175.900 0.215 0.000 0.961 467 Y CA -0.778 57.432 58.100 0.184 0.000 1.100 467 Y CB 1.286 39.877 38.460 0.218 0.000 1.179 467 Y HN 0.363 nan 8.280 nan 0.000 0.454 468 V N 8.747 128.304 119.914 -0.596 0.000 2.349 468 V HA 0.422 4.544 4.120 0.002 0.000 0.284 468 V C -2.382 173.308 176.094 -0.673 0.000 1.014 468 V CA -1.833 60.212 62.300 -0.425 0.000 0.826 468 V CB 1.159 32.874 31.823 -0.180 0.000 1.009 468 V HN 0.670 nan 8.190 nan 0.000 0.431 469 P HA 0.274 nan 4.420 nan 0.000 0.280 469 P C -0.356 176.895 177.300 -0.082 0.000 1.244 469 P CA -0.341 62.529 63.100 -0.383 0.000 0.784 469 P CB 1.260 32.658 31.700 -0.503 0.000 0.913 470 Q N 0.677 120.498 119.800 0.036 0.000 2.246 470 Q HA 0.222 4.563 4.340 0.002 0.000 0.202 470 Q C 0.099 176.165 176.000 0.111 0.000 0.883 470 Q CA 0.422 56.261 55.803 0.061 0.000 0.952 470 Q CB 0.690 29.462 28.738 0.058 0.000 1.078 470 Q HN 0.609 nan 8.270 nan 0.000 0.493 471 E N 0.004 120.315 120.200 0.184 0.000 2.390 471 E HA 0.267 4.619 4.350 0.002 0.000 0.277 471 E C -1.471 175.273 176.600 0.239 0.000 0.939 471 E CA -0.657 55.856 56.400 0.189 0.000 0.769 471 E CB 1.524 31.328 29.700 0.173 0.000 1.251 471 E HN -0.094 nan 8.360 nan 0.000 0.450 472 D N 0.110 120.612 120.400 0.169 0.000 2.255 472 D HA 0.625 5.267 4.640 0.002 0.000 0.249 472 D C 0.115 176.522 176.300 0.178 0.000 1.078 472 D CA 0.877 54.980 54.000 0.172 0.000 0.896 472 D CB 1.536 42.401 40.800 0.109 0.000 1.194 472 D HN 0.632 nan 8.370 nan 0.000 0.429 473 G N 1.603 110.531 108.800 0.213 0.000 2.339 473 G HA2 0.041 4.003 3.960 0.002 0.000 0.275 473 G HA3 0.041 4.003 3.960 0.002 0.000 0.275 473 G C -1.589 173.423 174.900 0.187 0.000 1.323 473 G CA -0.937 44.246 45.100 0.138 0.000 0.927 473 G HN 0.372 nan 8.290 nan 0.000 0.486 474 D N 0.276 120.720 120.400 0.074 0.000 2.304 474 D HA 0.586 5.227 4.640 0.002 0.000 0.250 474 D C -0.768 175.516 176.300 -0.027 0.000 1.107 474 D CA 0.639 54.691 54.000 0.087 0.000 0.885 474 D CB 0.868 41.693 40.800 0.041 0.000 1.192 474 D HN 0.283 nan 8.370 nan 0.000 0.436 475 Y N 0.633 120.927 120.300 -0.010 0.000 2.429 475 Y HA 0.449 5.001 4.550 0.002 0.000 0.342 475 Y C 0.201 176.019 175.900 -0.137 0.000 1.004 475 Y CA -0.867 57.157 58.100 -0.127 0.000 1.075 475 Y CB 1.379 39.689 38.460 -0.250 0.000 1.214 475 Y HN 0.177 nan 8.280 nan 0.000 0.455 476 I N 4.674 125.181 120.570 -0.104 0.000 2.330 476 I HA 0.241 4.413 4.170 0.002 0.000 0.286 476 I C -0.795 175.211 176.117 -0.184 0.000 1.025 476 I CA -0.291 60.972 61.300 -0.062 0.000 1.197 476 I CB 0.166 38.152 38.000 -0.024 0.000 1.358 476 I HN 0.382 nan 8.210 nan 0.000 0.467 477 F N 3.920 123.838 119.950 -0.054 0.000 2.380 477 F HA 0.453 4.982 4.527 0.002 0.000 0.325 477 F C 0.945 176.738 175.800 -0.011 0.000 1.136 477 F CA 0.049 58.001 58.000 -0.081 0.000 1.171 477 F CB 1.349 40.171 39.000 -0.297 0.000 1.230 477 F HN 0.456 nan 8.300 nan 0.000 0.554 478 S N 2.055 117.938 115.700 0.306 0.000 2.537 478 S HA 0.752 5.224 4.470 0.002 0.000 0.270 478 S C -1.834 172.917 174.600 0.251 0.000 1.142 478 S CA -0.802 57.517 58.200 0.198 0.000 0.870 478 S CB 1.801 65.044 63.200 0.073 0.000 1.112 478 S HN 0.621 nan 8.310 nan 0.000 0.466 479 L N 1.437 122.746 121.223 0.143 0.000 2.436 479 L HA 0.661 5.002 4.340 0.002 0.000 0.268 479 L C -1.221 175.606 176.870 -0.072 0.000 0.974 479 L CA -0.046 54.826 54.840 0.053 0.000 0.826 479 L CB 2.054 44.183 42.059 0.117 0.000 1.291 479 L HN 0.967 nan 8.230 nan 0.000 0.406 480 Q N 3.483 123.144 119.800 -0.231 0.000 2.305 480 Q HA 0.814 5.156 4.340 0.002 0.000 0.271 480 Q C -1.485 174.152 176.000 -0.605 0.000 1.046 480 Q CA -0.797 54.735 55.803 -0.453 0.000 0.798 480 Q CB 3.070 31.353 28.738 -0.759 0.000 1.286 480 Q HN 0.603 nan 8.270 nan 0.000 0.435 481 V N -0.802 118.938 119.914 -0.291 0.000 3.114 481 V HA 0.623 4.744 4.120 0.002 0.000 0.308 481 V C -1.883 174.477 176.094 0.443 0.000 1.168 481 V CA -0.864 61.472 62.300 0.060 0.000 1.015 481 V CB 2.056 33.972 31.823 0.154 0.000 1.050 481 V HN 0.806 nan 8.190 nan 0.000 0.433 482 Y N 2.210 122.798 120.300 0.479 0.000 2.376 482 Y HA 0.778 5.329 4.550 0.002 0.000 0.326 482 Y C 0.445 176.497 175.900 0.253 0.000 0.970 482 Y CA 0.904 59.208 58.100 0.341 0.000 1.248 482 Y CB 1.011 39.666 38.460 0.325 0.000 1.117 482 Y HN 1.635 nan 8.280 nan 0.000 0.476 483 G N 2.454 111.113 108.800 -0.236 0.000 2.436 483 G HA2 0.052 4.014 3.960 0.002 0.000 0.205 483 G HA3 0.052 4.014 3.960 0.002 0.000 0.205 483 G C -1.073 173.677 174.900 -0.249 0.000 1.188 483 G CA -0.261 44.658 45.100 -0.301 0.000 1.267 483 G HN 0.862 nan 8.290 nan 0.000 0.536 484 S N -0.580 114.925 115.700 -0.326 0.000 2.541 484 S HA 0.814 5.285 4.470 0.002 0.000 0.271 484 S C -0.261 174.216 174.600 -0.205 0.000 1.133 484 S CA 0.857 58.909 58.200 -0.247 0.000 0.876 484 S CB 1.426 64.463 63.200 -0.272 0.000 1.105 484 S HN 2.334 nan 8.310 nan 0.000 0.470 485 G N 2.139 110.861 108.800 -0.129 0.000 2.703 485 G HA2 0.600 4.561 3.960 0.002 0.000 0.294 485 G HA3 0.600 4.561 3.960 0.002 0.000 0.294 485 G C -2.243 172.586 174.900 -0.118 0.000 1.451 485 G CA -0.600 44.427 45.100 -0.121 0.000 0.869 485 G HN 0.721 nan 8.290 nan 0.000 0.516 486 L N 0.977 122.121 121.223 -0.132 0.000 2.385 486 L HA 0.545 4.886 4.340 0.002 0.000 0.273 486 L C -1.045 175.726 176.870 -0.165 0.000 0.990 486 L CA -0.747 53.971 54.840 -0.202 0.000 0.821 486 L CB 2.745 44.616 42.059 -0.314 0.000 1.279 486 L HN 0.568 nan 8.230 nan 0.000 0.412 487 F N 3.155 122.907 119.950 -0.330 0.000 2.332 487 F HA 0.459 4.988 4.527 0.002 0.000 0.368 487 F C -0.923 174.690 175.800 -0.312 0.000 1.110 487 F CA -0.748 57.120 58.000 -0.220 0.000 1.087 487 F CB 0.691 39.613 39.000 -0.130 0.000 1.235 487 F HN 0.337 nan 8.300 nan 0.000 0.470 488 Y N 5.817 126.319 120.300 0.336 0.000 2.330 488 Y HA 0.444 4.995 4.550 0.002 0.000 0.336 488 Y C -0.657 175.267 175.900 0.039 0.000 1.036 488 Y CA -1.020 57.137 58.100 0.094 0.000 1.125 488 Y CB 1.536 40.033 38.460 0.061 0.000 1.194 488 Y HN 0.414 nan 8.280 nan 0.000 0.469 489 L N 5.171 126.383 121.223 -0.018 0.000 2.294 489 L HA 0.474 4.815 4.340 0.002 0.000 0.283 489 L C -0.454 176.417 176.870 0.002 0.000 1.015 489 L CA -0.529 54.238 54.840 -0.121 0.000 0.831 489 L CB 0.342 42.099 42.059 -0.503 0.000 1.217 489 L HN 0.729 nan 8.230 nan 0.000 0.420 490 N N 3.832 122.574 118.700 0.070 0.000 2.756 490 N HA -0.220 4.522 4.740 0.002 0.000 0.248 490 N C -0.266 175.265 175.510 0.036 0.000 1.062 490 N CA 1.137 54.224 53.050 0.063 0.000 0.696 490 N CB -0.964 37.565 38.487 0.069 0.000 0.946 490 N HN 0.862 nan 8.380 nan 0.000 0.548 491 D N -2.006 118.414 120.400 0.033 0.000 2.955 491 D HA -0.204 4.437 4.640 0.002 0.000 0.226 491 D C -0.393 175.917 176.300 0.017 0.000 1.178 491 D CA 1.201 55.170 54.000 -0.052 0.000 0.808 491 D CB -0.290 40.448 40.800 -0.103 0.000 1.099 491 D HN 0.481 nan 8.370 nan 0.000 0.421 492 E N 0.347 120.618 120.200 0.118 0.000 2.171 492 E HA 0.333 4.684 4.350 0.002 0.000 0.271 492 E C 0.089 176.831 176.600 0.237 0.000 0.916 492 E CA -1.098 55.395 56.400 0.155 0.000 0.774 492 E CB 1.818 31.551 29.700 0.054 0.000 1.128 492 E HN 0.072 nan 8.360 nan 0.000 0.403 493 L N 4.678 126.060 121.223 0.265 0.000 2.615 493 L HA -0.029 4.312 4.340 0.002 0.000 0.271 493 L C 0.947 177.746 176.870 -0.118 0.000 1.183 493 L CA 0.780 55.590 54.840 -0.050 0.000 0.933 493 L CB -0.167 41.831 42.059 -0.101 0.000 1.199 493 L HN 0.658 nan 8.230 nan 0.000 0.487 494 I N 2.748 123.190 120.570 -0.213 0.000 3.790 494 I HA 0.387 4.558 4.170 0.002 0.000 0.305 494 I C 0.194 176.195 176.117 -0.193 0.000 1.253 494 I CA 0.155 61.308 61.300 -0.245 0.000 1.355 494 I CB 0.298 38.038 38.000 -0.433 0.000 1.137 494 I HN 0.358 nan 8.210 nan 0.000 0.435 495 I N 2.068 122.544 120.570 -0.157 0.000 2.512 495 I HA 0.321 4.493 4.170 0.002 0.000 0.287 495 I C -1.475 174.609 176.117 -0.056 0.000 1.069 495 I CA -0.542 60.725 61.300 -0.054 0.000 1.056 495 I CB 2.097 40.125 38.000 0.047 0.000 1.229 495 I HN 0.008 nan 8.210 nan 0.000 0.429 496 D N 6.626 127.002 120.400 -0.039 0.000 2.317 496 D HA 0.210 4.851 4.640 0.002 0.000 0.234 496 D C -0.493 175.803 176.300 -0.007 0.000 1.112 496 D CA -0.045 53.943 54.000 -0.021 0.000 0.840 496 D CB 1.299 42.116 40.800 0.029 0.000 1.078 496 D HN 0.408 nan 8.370 nan 0.000 0.486 497 Q N 3.578 123.359 119.800 -0.033 0.000 2.470 497 Q HA 0.119 4.461 4.340 0.002 0.000 0.389 497 Q C 0.322 176.273 176.000 -0.082 0.000 0.888 497 Q CA -0.135 55.645 55.803 -0.039 0.000 1.106 497 Q CB 1.346 30.064 28.738 -0.034 0.000 1.368 497 Q HN 0.524 nan 8.270 nan 0.000 0.403 498 K N -0.545 119.789 120.400 -0.109 0.000 2.443 498 K HA 0.113 4.434 4.320 0.002 0.000 0.200 498 K C -0.343 176.060 176.600 -0.330 0.000 1.278 498 K CA 0.232 56.368 56.287 -0.251 0.000 0.925 498 K CB 0.722 33.021 32.500 -0.335 0.000 1.225 498 K HN 0.234 nan 8.250 nan 0.000 0.514 499 H N 0.571 119.617 119.070 -0.040 0.000 2.459 499 H HA 0.291 4.848 4.556 0.002 0.000 0.332 499 H C -0.867 174.446 175.328 -0.025 0.000 1.094 499 H CA -0.239 55.790 56.048 -0.031 0.000 1.224 499 H CB 1.194 30.939 29.762 -0.029 0.000 1.449 499 H HN 0.202 nan 8.280 nan 0.000 0.484 500 N N 2.039 120.791 118.700 0.086 0.000 2.714 500 N HA -0.254 4.487 4.740 0.002 0.000 0.252 500 N C -0.818 174.706 175.510 0.024 0.000 1.014 500 N CA 0.068 53.145 53.050 0.045 0.000 0.735 500 N CB -0.709 37.807 38.487 0.048 0.000 0.924 500 N HN 0.649 nan 8.380 nan 0.000 0.540 501 Q N 0.624 120.426 119.800 0.003 0.000 2.333 501 Q HA 0.037 4.378 4.340 0.002 0.000 0.299 501 Q C -0.026 175.980 176.000 0.009 0.000 1.067 501 Q CA 0.688 56.491 55.803 -0.001 0.000 0.943 501 Q CB 0.539 29.264 28.738 -0.020 0.000 1.233 501 Q HN 0.379 nan 8.270 nan 0.000 0.401 502 E N 1.599 121.809 120.200 0.017 0.000 2.195 502 E HA 0.332 4.684 4.350 0.002 0.000 0.271 502 E C -0.740 175.881 176.600 0.034 0.000 0.923 502 E CA -0.846 55.567 56.400 0.022 0.000 0.790 502 E CB 1.812 31.525 29.700 0.021 0.000 1.155 502 E HN 0.265 nan 8.360 nan 0.000 0.402 503 R N 1.253 121.776 120.500 0.039 0.000 2.438 503 R HA 0.420 4.762 4.340 0.002 0.000 0.287 503 R C -0.101 176.228 176.300 0.048 0.000 1.077 503 R CA 0.154 56.289 56.100 0.060 0.000 1.034 503 R CB 1.013 31.351 30.300 0.062 0.000 0.993 503 R HN 0.756 nan 8.270 nan 0.000 0.459 504 G N -0.006 108.833 108.800 0.064 0.000 3.107 504 G HA2 0.089 4.050 3.960 0.002 0.000 0.233 504 G HA3 0.089 4.050 3.960 0.002 0.000 0.233 504 G C 0.009 174.919 174.900 0.016 0.000 1.168 504 G CA -0.339 44.776 45.100 0.025 0.000 0.801 504 G HN 0.494 nan 8.290 nan 0.000 0.605 505 S N -0.601 115.082 115.700 -0.028 0.000 2.446 505 S HA 0.188 4.660 4.470 0.002 0.000 0.225 505 S C 0.704 175.372 174.600 0.113 0.000 1.016 505 S CA -0.150 57.975 58.200 -0.125 0.000 0.943 505 S CB -0.170 62.858 63.200 -0.286 0.000 0.786 505 S HN 0.335 nan 8.310 nan 0.000 0.508 506 F N 2.240 122.211 119.950 0.035 0.000 2.629 506 F HA 0.088 4.617 4.527 0.002 0.000 0.369 506 F C 0.908 176.789 175.800 0.135 0.000 1.125 506 F CA -0.569 57.476 58.000 0.074 0.000 1.330 506 F CB -0.017 39.029 39.000 0.076 0.000 1.071 506 F HN 0.214 nan 8.300 nan 0.000 0.595 507 C N 7.493 126.222 119.300 -0.952 0.000 3.547 507 C HA -0.246 4.215 4.460 0.002 0.000 0.299 507 C C 0.617 175.631 174.990 0.041 0.000 1.148 507 C CA 0.036 58.747 59.018 -0.512 0.000 2.364 507 C CB -3.003 24.514 27.740 -0.373 0.000 1.453 507 C HN 1.019 nan 8.230 nan 0.000 0.549 508 F N -0.023 119.837 119.950 -0.150 0.000 3.021 508 F HA -0.241 4.287 4.527 0.002 0.000 0.256 508 F C 1.563 177.459 175.800 0.160 0.000 0.976 508 F CA 1.764 59.746 58.000 -0.030 0.000 0.861 508 F CB -1.511 37.441 39.000 -0.080 0.000 0.778 508 F HN 1.710 nan 8.300 nan 0.000 0.765 509 G N -1.320 107.704 108.800 0.373 0.000 2.148 509 G HA2 -0.136 3.826 3.960 0.002 0.000 0.254 509 G HA3 -0.136 3.826 3.960 0.002 0.000 0.254 509 G C 0.897 175.913 174.900 0.192 0.000 0.981 509 G CA 0.341 45.607 45.100 0.277 0.000 0.670 509 G HN 1.353 nan 8.290 nan 0.000 0.528 510 A N -0.483 122.454 122.820 0.195 0.000 2.063 510 A HA 0.665 4.987 4.320 0.002 0.000 0.211 510 A C 1.934 179.775 177.584 0.428 0.000 1.177 510 A CA 1.744 53.926 52.037 0.241 0.000 0.759 510 A CB -0.195 18.865 19.000 0.100 0.000 0.857 510 A HN 1.613 nan 8.150 nan 0.000 0.468 511 G N -0.387 108.690 108.800 0.461 0.000 2.546 511 G HA2 0.406 4.368 3.960 0.002 0.000 0.239 511 G HA3 0.406 4.368 3.960 0.002 0.000 0.239 511 G C 0.378 175.470 174.900 0.319 0.000 1.476 511 G CA 0.496 45.923 45.100 0.545 0.000 1.064 511 G HN 0.551 nan 8.290 nan 0.000 0.561 512 T N -1.322 113.397 114.554 0.275 0.000 2.922 512 T HA 0.455 4.807 4.350 0.002 0.000 0.285 512 T C 0.110 174.878 174.700 0.114 0.000 1.005 512 T CA -0.680 61.502 62.100 0.135 0.000 1.061 512 T CB 1.324 70.232 68.868 0.066 0.000 1.007 512 T HN 0.424 nan 8.240 nan 0.000 0.502 513 K N 1.370 121.809 120.400 0.065 0.000 2.494 513 K HA 0.021 4.342 4.320 0.002 0.000 0.273 513 K C 0.505 177.120 176.600 0.025 0.000 0.970 513 K CA -0.071 56.239 56.287 0.040 0.000 0.963 513 K CB 0.416 32.931 32.500 0.026 0.000 0.913 513 K HN 0.716 nan 8.250 nan 0.000 0.502 514 E N 2.288 122.497 120.200 0.015 0.000 2.376 514 E HA -0.041 4.311 4.350 0.002 0.000 0.266 514 E C -0.602 176.006 176.600 0.014 0.000 1.009 514 E CA 0.085 56.486 56.400 0.002 0.000 0.902 514 E CB 0.593 30.296 29.700 0.006 0.000 0.972 514 E HN 0.252 nan 8.360 nan 0.000 0.439 515 R N 2.089 122.598 120.500 0.015 0.000 2.532 515 R HA 0.394 4.736 4.340 0.002 0.000 0.295 515 R C -0.470 175.857 176.300 0.045 0.000 0.968 515 R CA -0.390 55.727 56.100 0.027 0.000 0.916 515 R CB 1.871 32.184 30.300 0.021 0.000 1.124 515 R HN 0.637 nan 8.270 nan 0.000 0.463 516 T N -0.923 113.657 114.554 0.043 0.000 2.864 516 T HA 0.616 4.967 4.350 0.002 0.000 0.289 516 T C -1.073 173.652 174.700 0.041 0.000 1.082 516 T CA -1.053 61.081 62.100 0.058 0.000 1.009 516 T CB 2.112 71.015 68.868 0.058 0.000 1.234 516 T HN 0.372 nan 8.240 nan 0.000 0.526 517 K N 0.448 120.884 120.400 0.060 0.000 2.619 517 K HA 0.476 4.797 4.320 0.002 0.000 0.251 517 K C -1.415 175.249 176.600 0.106 0.000 0.987 517 K CA -0.548 55.763 56.287 0.041 0.000 0.844 517 K CB 1.713 34.186 32.500 -0.046 0.000 1.237 517 K HN 0.675 nan 8.250 nan 0.000 0.447 518 K N 4.585 125.032 120.400 0.078 0.000 2.312 518 K HA 0.378 4.700 4.320 0.002 0.000 0.287 518 K C -1.022 175.639 176.600 0.102 0.000 1.062 518 K CA -0.113 56.231 56.287 0.096 0.000 0.934 518 K CB 0.364 32.902 32.500 0.064 0.000 1.027 518 K HN 0.548 nan 8.250 nan 0.000 0.478 519 L N 3.309 124.632 121.223 0.166 0.000 2.354 519 L HA 0.428 4.770 4.340 0.002 0.000 0.269 519 L C -0.391 176.576 176.870 0.161 0.000 1.005 519 L CA -1.081 53.841 54.840 0.137 0.000 0.819 519 L CB 2.429 44.560 42.059 0.119 0.000 1.311 519 L HN 0.622 nan 8.230 nan 0.000 0.423 520 T N 3.218 117.845 114.554 0.121 0.000 2.771 520 T HA 0.594 4.945 4.350 0.002 0.000 0.291 520 T C -0.324 174.460 174.700 0.140 0.000 0.954 520 T CA -0.371 61.813 62.100 0.140 0.000 1.045 520 T CB 0.903 69.835 68.868 0.107 0.000 0.917 520 T HN 0.086 nan 8.240 nan 0.000 0.484 521 L N 2.718 124.043 121.223 0.170 0.000 2.323 521 L HA 0.657 4.998 4.340 0.002 0.000 0.265 521 L C -0.070 176.921 176.870 0.202 0.000 1.012 521 L CA -1.019 53.898 54.840 0.128 0.000 0.820 521 L CB 1.667 43.613 42.059 -0.188 0.000 1.334 521 L HN 0.378 nan 8.230 nan 0.000 0.427 522 K N 1.692 122.258 120.400 0.276 0.000 2.240 522 K HA 0.315 4.637 4.320 0.002 0.000 0.271 522 K C -0.414 176.281 176.600 0.157 0.000 1.018 522 K CA -0.503 55.894 56.287 0.183 0.000 0.874 522 K CB 0.781 33.360 32.500 0.131 0.000 1.098 522 K HN 0.425 nan 8.250 nan 0.000 0.458 523 K N 2.815 123.284 120.400 0.115 0.000 2.579 523 K HA -0.120 4.201 4.320 0.002 0.000 0.277 523 K C 0.735 177.358 176.600 0.039 0.000 0.985 523 K CA 1.829 58.161 56.287 0.075 0.000 1.088 523 K CB -0.160 32.384 32.500 0.073 0.000 0.836 523 K HN 0.856 nan 8.250 nan 0.000 0.487 524 G N 2.294 111.098 108.800 0.007 0.000 2.270 524 G HA2 -0.401 3.561 3.960 0.002 0.000 0.268 524 G HA3 -0.401 3.561 3.960 0.002 0.000 0.268 524 G C 0.121 174.993 174.900 -0.047 0.000 0.982 524 G CA 0.842 45.930 45.100 -0.020 0.000 0.628 524 G HN 0.717 nan 8.290 nan 0.000 0.544 525 Q N 0.440 120.217 119.800 -0.038 0.000 2.332 525 Q HA 0.475 4.817 4.340 0.002 0.000 0.263 525 Q C 0.221 176.021 176.000 -0.335 0.000 0.979 525 Q CA -0.422 55.258 55.803 -0.204 0.000 0.885 525 Q CB 0.907 29.477 28.738 -0.280 0.000 1.218 525 Q HN 0.252 nan 8.270 nan 0.000 0.405 526 V N 5.343 125.039 119.914 -0.362 0.000 2.461 526 V HA 0.217 4.338 4.120 0.002 0.000 0.275 526 V C -0.892 174.981 176.094 -0.368 0.000 1.047 526 V CA -0.264 61.895 62.300 -0.235 0.000 0.955 526 V CB 0.117 31.873 31.823 -0.110 0.000 0.988 526 V HN 0.641 nan 8.190 nan 0.000 0.471 527 Y N 2.721 123.051 120.300 0.049 0.000 2.376 527 Y HA 0.440 4.991 4.550 0.002 0.000 0.340 527 Y C 0.477 176.444 175.900 0.112 0.000 0.965 527 Y CA -1.043 57.106 58.100 0.082 0.000 1.078 527 Y CB 1.483 40.025 38.460 0.136 0.000 1.193 527 Y HN 0.515 nan 8.280 nan 0.000 0.452 528 N N 3.050 121.875 118.700 0.209 0.000 2.401 528 N HA 0.204 4.945 4.740 0.002 0.000 0.255 528 N C -0.765 174.865 175.510 0.200 0.000 1.110 528 N CA -0.174 52.978 53.050 0.170 0.000 0.949 528 N CB 1.450 39.997 38.487 0.101 0.000 1.110 528 N HN 0.476 nan 8.380 nan 0.000 0.490 529 V N 1.141 121.201 119.914 0.243 0.000 2.406 529 V HA 0.492 4.613 4.120 0.002 0.000 0.272 529 V C 0.393 176.630 176.094 0.239 0.000 1.043 529 V CA -0.728 61.759 62.300 0.312 0.000 0.915 529 V CB 0.811 32.866 31.823 0.387 0.000 0.988 529 V HN 0.533 nan 8.190 nan 0.000 0.466 530 R N 3.809 124.481 120.500 0.287 0.000 2.483 530 R HA 0.706 5.048 4.340 0.002 0.000 0.303 530 R C -1.755 174.676 176.300 0.218 0.000 0.987 530 R CA -0.501 55.724 56.100 0.207 0.000 0.881 530 R CB 2.122 32.520 30.300 0.163 0.000 1.177 530 R HN 0.743 nan 8.270 nan 0.000 0.451 531 V N 4.348 124.269 119.914 0.012 0.000 2.398 531 V HA 0.324 4.445 4.120 0.002 0.000 0.286 531 V C -0.320 175.731 176.094 -0.071 0.000 1.026 531 V CA -0.718 61.513 62.300 -0.115 0.000 0.868 531 V CB 1.675 33.294 31.823 -0.340 0.000 0.982 531 V HN 0.672 nan 8.190 nan 0.000 0.443 532 E N 4.220 124.404 120.200 -0.027 0.000 2.113 532 E HA 0.337 4.689 4.350 0.002 0.000 0.273 532 E C -1.387 175.146 176.600 -0.112 0.000 0.924 532 E CA -0.416 55.968 56.400 -0.027 0.000 0.764 532 E CB 2.330 32.079 29.700 0.081 0.000 1.104 532 E HN 0.653 nan 8.360 nan 0.000 0.406 533 Y N 0.838 120.942 120.300 -0.325 0.000 2.376 533 Y HA 0.573 5.125 4.550 0.002 0.000 0.340 533 Y C -0.225 175.513 175.900 -0.271 0.000 0.965 533 Y CA -0.827 56.980 58.100 -0.488 0.000 1.078 533 Y CB 1.829 39.606 38.460 -1.139 0.000 1.193 533 Y HN 0.474 nan 8.280 nan 0.000 0.452 534 G N 3.826 111.989 108.800 -1.062 0.000 2.368 534 G HA2 0.430 4.391 3.960 0.002 0.000 0.320 534 G HA3 0.430 4.391 3.960 0.002 0.000 0.320 534 G C -0.663 173.151 174.900 -1.810 0.000 1.158 534 G CA -0.468 43.872 45.100 -1.266 0.000 0.912 534 G HN 0.913 nan 8.290 nan 0.000 0.456 535 S N 1.748 116.460 115.700 -1.647 0.000 2.580 535 S HA 0.311 4.782 4.470 0.002 0.000 0.266 535 S C 1.979 176.204 174.600 -0.626 0.000 1.354 535 S CA 0.418 57.998 58.200 -1.033 0.000 1.008 535 S CB 0.894 63.289 63.200 -1.341 0.000 0.898 535 S HN 1.268 nan 8.310 nan 0.000 0.555 536 G N 2.035 110.696 108.800 -0.231 0.000 2.732 536 G HA2 -0.239 3.722 3.960 0.002 0.000 0.222 536 G HA3 -0.239 3.722 3.960 0.002 0.000 0.222 536 G C -0.951 173.820 174.900 -0.216 0.000 1.203 536 G CA 1.334 46.337 45.100 -0.162 0.000 0.780 536 G HN 0.714 nan 8.290 nan 0.000 0.621 537 P HA -0.001 nan 4.420 nan 0.000 0.223 537 P C 1.876 179.163 177.300 -0.021 0.000 1.144 537 P CA 1.501 64.583 63.100 -0.030 0.000 0.783 537 P CB -0.175 31.587 31.700 0.104 0.000 0.771 538 T N -1.082 113.286 114.554 -0.310 0.000 2.821 538 T HA -0.070 4.281 4.350 0.002 0.000 0.267 538 T C 0.939 175.521 174.700 -0.197 0.000 1.046 538 T CA 1.267 63.153 62.100 -0.357 0.000 1.139 538 T CB -0.753 67.618 68.868 -0.828 0.000 0.871 538 T HN 0.310 nan 8.240 nan 0.000 0.454 547 A N -1.380 121.583 122.820 0.238 0.000 1.902 547 A HA 0.445 4.767 4.320 0.002 0.000 0.217 547 A C 2.341 180.100 177.584 0.291 0.000 1.181 547 A CA 2.940 55.120 52.037 0.239 0.000 0.623 547 A CB -1.079 18.192 19.000 0.452 0.000 0.818 547 A HN 2.866 nan 8.150 nan 0.000 0.443 548 G N -2.138 106.822 108.800 0.267 0.000 2.552 548 G HA2 0.342 4.303 3.960 0.002 0.000 0.267 548 G HA3 0.342 4.303 3.960 0.002 0.000 0.267 548 G C 0.930 175.963 174.900 0.222 0.000 1.174 548 G CA 0.473 45.739 45.100 0.276 0.000 0.955 548 G HN 2.403 nan 8.290 nan 0.000 0.546 549 G N -2.080 106.970 108.800 0.417 0.000 2.333 549 G HA2 0.735 4.696 3.960 0.002 0.000 0.288 549 G HA3 0.735 4.696 3.960 0.002 0.000 0.288 549 G C -0.852 174.279 174.900 0.386 0.000 1.286 549 G CA 0.283 45.529 45.100 0.242 0.000 0.865 549 G HN 2.366 nan 8.290 nan 0.000 0.506 550 F N -2.133 117.784 119.950 -0.056 0.000 2.741 550 F HA 0.858 5.387 4.527 0.002 0.000 0.311 550 F C -1.155 174.510 175.800 -0.224 0.000 1.149 550 F CA -1.087 56.746 58.000 -0.279 0.000 0.930 550 F CB 2.074 40.748 39.000 -0.543 0.000 1.312 550 F HN 0.675 nan 8.300 nan 0.000 0.450 551 Q N 1.964 121.520 119.800 -0.406 0.000 2.292 551 Q HA 0.760 5.102 4.340 0.002 0.000 0.270 551 Q C -1.695 174.203 176.000 -0.170 0.000 1.024 551 Q CA -0.947 54.683 55.803 -0.288 0.000 0.768 551 Q CB 2.193 30.800 28.738 -0.218 0.000 1.250 551 Q HN 1.103 nan 8.270 nan 0.000 0.447 552 A N 2.579 125.322 122.820 -0.128 0.000 2.276 552 A HA 0.867 5.188 4.320 0.002 0.000 0.316 552 A C -0.189 177.373 177.584 -0.036 0.000 1.229 552 A CA 0.026 51.980 52.037 -0.137 0.000 0.851 552 A CB 1.215 19.933 19.000 -0.469 0.000 1.165 552 A HN 0.744 nan 8.150 nan 0.000 0.513 553 G N -0.464 108.380 108.800 0.074 0.000 2.630 553 G HA2 0.643 4.605 3.960 0.002 0.000 0.296 553 G HA3 0.643 4.605 3.960 0.002 0.000 0.296 553 G C -1.453 173.460 174.900 0.021 0.000 1.285 553 G CA -0.583 44.525 45.100 0.012 0.000 0.958 553 G HN 1.490 nan 8.290 nan 0.000 0.479 554 V N 0.646 120.447 119.914 -0.188 0.000 2.851 554 V HA 0.789 4.910 4.120 0.002 0.000 0.307 554 V C -1.351 174.552 176.094 -0.318 0.000 1.129 554 V CA -0.763 61.274 62.300 -0.438 0.000 0.932 554 V CB 1.641 32.918 31.823 -0.911 0.000 1.024 554 V HN 0.828 nan 8.190 nan 0.000 0.426 555 I N 4.169 124.553 120.570 -0.310 0.000 2.865 555 I HA 0.585 4.757 4.170 0.002 0.000 0.302 555 I C -0.662 175.300 176.117 -0.259 0.000 1.140 555 I CA -1.071 60.069 61.300 -0.266 0.000 1.021 555 I CB 2.179 39.911 38.000 -0.446 0.000 1.233 555 I HN 0.736 nan 8.210 nan 0.000 0.427 556 K N 5.179 125.412 120.400 -0.279 0.000 2.383 556 K HA 0.468 4.789 4.320 0.002 0.000 0.286 556 K C -0.475 176.015 176.600 -0.183 0.000 1.051 556 K CA 0.033 56.005 56.287 -0.526 0.000 0.974 556 K CB 0.832 33.132 32.500 -0.332 0.000 0.968 556 K HN 0.556 nan 8.250 nan 0.000 0.475 557 A N 5.478 128.159 122.820 -0.233 0.000 2.440 557 A HA 0.437 4.758 4.320 0.002 0.000 0.251 557 A C 0.045 177.618 177.584 -0.019 0.000 1.089 557 A CA -0.399 51.622 52.037 -0.026 0.000 0.779 557 A CB -0.459 18.521 19.000 -0.033 0.000 1.022 557 A HN 0.860 nan 8.150 nan 0.000 0.492 558 I N -0.699 119.888 120.570 0.028 0.000 2.846 558 I HA 0.497 4.668 4.170 0.002 0.000 0.307 558 I C -0.451 175.639 176.117 -0.045 0.000 1.053 558 I CA -0.982 60.280 61.300 -0.063 0.000 1.050 558 I CB 2.047 39.923 38.000 -0.206 0.000 1.239 558 I HN 0.517 nan 8.210 nan 0.000 0.439 559 D N 3.401 123.768 120.400 -0.055 0.000 2.336 559 D HA 0.048 4.689 4.640 0.002 0.000 0.249 559 D C 0.179 176.445 176.300 -0.058 0.000 1.213 559 D CA 0.008 53.984 54.000 -0.038 0.000 0.870 559 D CB 1.194 41.976 40.800 -0.030 0.000 1.076 559 D HN 0.579 nan 8.370 nan 0.000 0.483 560 D N 3.104 123.479 120.400 -0.041 0.000 2.092 560 D HA -0.177 4.465 4.640 0.002 0.000 0.193 560 D C 1.232 177.503 176.300 -0.049 0.000 0.994 560 D CA 1.040 55.010 54.000 -0.050 0.000 0.828 560 D CB 0.142 40.932 40.800 -0.016 0.000 0.963 560 D HN 0.584 nan 8.370 nan 0.000 0.450 561 D N 0.340 120.722 120.400 -0.031 0.000 2.149 561 D HA -0.175 4.466 4.640 0.002 0.000 0.198 561 D C 1.932 178.208 176.300 -0.039 0.000 0.990 561 D CA 0.948 54.931 54.000 -0.028 0.000 0.839 561 D CB 0.031 40.821 40.800 -0.017 0.000 0.948 561 D HN 0.176 nan 8.370 nan 0.000 0.460 562 E N 1.049 121.223 120.200 -0.044 0.000 2.047 562 E HA -0.172 4.180 4.350 0.002 0.000 0.191 562 E C 1.837 178.397 176.600 -0.066 0.000 0.987 562 E CA 1.024 57.395 56.400 -0.047 0.000 0.799 562 E CB -0.131 29.543 29.700 -0.043 0.000 0.752 562 E HN 0.007 nan 8.360 nan 0.000 0.449 563 E N 0.160 120.306 120.200 -0.089 0.000 2.110 563 E HA -0.099 4.252 4.350 0.002 0.000 0.193 563 E C 1.996 178.530 176.600 -0.110 0.000 0.988 563 E CA 1.069 57.398 56.400 -0.119 0.000 0.804 563 E CB -0.332 29.265 29.700 -0.171 0.000 0.745 563 E HN 0.401 nan 8.360 nan 0.000 0.458 564 I N -0.198 120.319 120.570 -0.089 0.000 2.142 564 I HA -0.280 3.892 4.170 0.002 0.000 0.240 564 I C 2.476 178.552 176.117 -0.069 0.000 1.078 564 I CA 1.106 62.359 61.300 -0.078 0.000 1.343 564 I CB -0.221 37.745 38.000 -0.057 0.000 1.046 564 I HN 0.028 nan 8.210 nan 0.000 0.405 565 R N 0.935 121.402 120.500 -0.055 0.000 2.115 565 R HA -0.259 4.082 4.340 0.002 0.000 0.239 565 R C 2.139 178.408 176.300 -0.052 0.000 1.133 565 R CA 2.349 58.422 56.100 -0.046 0.000 0.935 565 R CB -0.724 29.555 30.300 -0.036 0.000 0.853 565 R HN 0.295 nan 8.270 nan 0.000 0.433 566 N N -0.460 118.204 118.700 -0.060 0.000 2.104 566 N HA -0.149 4.592 4.740 0.002 0.000 0.190 566 N C 1.421 176.885 175.510 -0.076 0.000 1.024 566 N CA 1.729 54.742 53.050 -0.062 0.000 0.853 566 N CB -0.248 38.196 38.487 -0.071 0.000 1.008 566 N HN 0.334 nan 8.380 nan 0.000 0.424 567 A N 0.214 122.973 122.820 -0.102 0.000 1.902 567 A HA 0.038 4.360 4.320 0.002 0.000 0.217 567 A C 2.348 179.877 177.584 -0.092 0.000 1.181 567 A CA 1.919 53.884 52.037 -0.120 0.000 0.623 567 A CB -1.272 17.642 19.000 -0.143 0.000 0.818 567 A HN 0.429 nan 8.150 nan 0.000 0.443 568 A N -0.070 122.705 122.820 -0.075 0.000 1.865 568 A HA -0.214 4.107 4.320 0.002 0.000 0.217 568 A C 1.929 179.490 177.584 -0.038 0.000 1.191 568 A CA 1.801 53.802 52.037 -0.059 0.000 0.623 568 A CB -0.689 18.281 19.000 -0.051 0.000 0.826 568 A HN 0.628 nan 8.150 nan 0.000 0.444 569 E N -0.317 119.865 120.200 -0.030 0.000 2.077 569 E HA -0.163 4.188 4.350 0.002 0.000 0.193 569 E C 1.981 178.587 176.600 0.010 0.000 0.989 569 E CA 1.188 57.581 56.400 -0.011 0.000 0.800 569 E CB -0.314 29.379 29.700 -0.012 0.000 0.746 569 E HN 0.602 nan 8.360 nan 0.000 0.452 570 L N 0.570 121.795 121.223 0.004 0.000 2.046 570 L HA -0.206 4.135 4.340 0.002 0.000 0.208 570 L C 2.539 179.463 176.870 0.090 0.000 1.077 570 L CA 1.070 55.941 54.840 0.051 0.000 0.747 570 L CB -0.402 41.653 42.059 -0.007 0.000 0.896 570 L HN 0.157 nan 8.230 nan 0.000 0.432 571 A N -0.214 122.605 122.820 -0.003 0.000 1.972 571 A HA -0.187 4.134 4.320 0.002 0.000 0.219 571 A C 2.490 180.103 177.584 0.048 0.000 1.169 571 A CA 1.684 53.715 52.037 -0.011 0.000 0.635 571 A CB -0.674 18.291 19.000 -0.059 0.000 0.810 571 A HN 0.422 nan 8.150 nan 0.000 0.446 572 A N -0.296 122.547 122.820 0.037 0.000 1.969 572 A HA -0.099 4.222 4.320 0.002 0.000 0.218 572 A C 1.906 179.517 177.584 0.046 0.000 1.169 572 A CA 1.630 53.684 52.037 0.029 0.000 0.635 572 A CB -0.300 18.705 19.000 0.009 0.000 0.810 572 A HN 0.509 nan 8.150 nan 0.000 0.445 573 K N -0.561 119.890 120.400 0.084 0.000 2.476 573 K HA 0.146 4.468 4.320 0.002 0.000 0.196 573 K C -0.611 175.948 176.600 -0.068 0.000 1.025 573 K CA 0.043 56.343 56.287 0.021 0.000 1.138 573 K CB 0.020 32.518 32.500 -0.003 0.000 0.860 573 K HN 0.622 nan 8.250 nan 0.000 0.515 574 H N -1.042 118.022 119.070 -0.010 0.000 2.834 574 H HA 0.152 4.710 4.556 0.002 0.000 0.369 574 H C 0.271 175.594 175.328 -0.009 0.000 1.174 574 H CA -0.804 55.242 56.048 -0.004 0.000 1.165 574 H CB 1.531 31.294 29.762 0.000 0.000 1.820 574 H HN -0.151 nan 8.280 nan 0.000 0.558 575 D N 0.908 121.374 120.400 0.111 0.000 2.084 575 D HA -0.058 4.583 4.640 0.002 0.000 0.196 575 D C -0.236 176.093 176.300 0.049 0.000 0.985 575 D CA 1.537 55.569 54.000 0.054 0.000 0.826 575 D CB 0.320 41.142 40.800 0.038 0.000 0.978 575 D HN 0.337 nan 8.370 nan 0.000 0.456 576 K N -0.219 120.219 120.400 0.064 0.000 2.443 576 K HA 0.660 4.982 4.320 0.002 0.000 0.252 576 K C -1.109 175.488 176.600 -0.005 0.000 0.933 576 K CA -0.597 55.699 56.287 0.014 0.000 0.792 576 K CB 3.000 35.494 32.500 -0.011 0.000 1.185 576 K HN -0.079 nan 8.250 nan 0.000 0.425 577 A N 2.124 124.917 122.820 -0.044 0.000 2.309 577 A HA 0.516 4.838 4.320 0.002 0.000 0.298 577 A C -0.489 177.050 177.584 -0.075 0.000 1.165 577 A CA -0.591 51.396 52.037 -0.082 0.000 0.821 577 A CB 0.718 19.658 19.000 -0.100 0.000 1.102 577 A HN 0.425 nan 8.150 nan 0.000 0.500 578 V N 3.965 123.844 119.914 -0.059 0.000 2.313 578 V HA 0.265 4.386 4.120 0.002 0.000 0.278 578 V C -0.712 175.361 176.094 -0.034 0.000 1.017 578 V CA -0.378 61.897 62.300 -0.041 0.000 0.823 578 V CB 0.906 32.729 31.823 0.001 0.000 1.010 578 V HN 0.739 nan 8.190 nan 0.000 0.443 579 L N 7.499 128.682 121.223 -0.068 0.000 2.262 579 L HA 0.572 4.913 4.340 0.002 0.000 0.288 579 L C -0.339 176.507 176.870 -0.041 0.000 1.035 579 L CA 0.031 54.825 54.840 -0.078 0.000 0.820 579 L CB 0.924 42.891 42.059 -0.154 0.000 1.204 579 L HN 0.413 nan 8.230 nan 0.000 0.424 580 I N 7.315 127.895 120.570 0.017 0.000 2.330 580 I HA 0.362 4.533 4.170 0.002 0.000 0.286 580 I C 0.241 176.408 176.117 0.083 0.000 1.025 580 I CA -0.288 61.048 61.300 0.061 0.000 1.197 580 I CB 0.665 38.733 38.000 0.112 0.000 1.358 580 I HN 0.614 nan 8.210 nan 0.000 0.467 581 I N 2.276 122.901 120.570 0.091 0.000 3.516 581 I HA 1.076 5.248 4.170 0.002 0.000 0.297 581 I C 0.392 176.615 176.117 0.177 0.000 1.139 581 I CA -0.765 60.615 61.300 0.133 0.000 1.020 581 I CB 2.236 40.321 38.000 0.142 0.000 1.341 581 I HN 0.602 nan 8.210 nan 0.000 0.490 582 G N 0.358 109.275 108.800 0.195 0.000 2.260 582 G HA2 0.137 4.099 3.960 0.002 0.000 0.250 582 G HA3 0.137 4.099 3.960 0.002 0.000 0.250 582 G C -1.353 173.651 174.900 0.174 0.000 1.340 582 G CA -0.501 44.721 45.100 0.202 0.000 1.056 582 G HN 0.730 nan 8.290 nan 0.000 0.471 583 L N 0.328 121.696 121.223 0.241 0.000 2.422 583 L HA 0.801 5.142 4.340 0.002 0.000 0.263 583 L C 0.411 177.555 176.870 0.458 0.000 1.110 583 L CA -0.667 54.349 54.840 0.293 0.000 1.065 583 L CB 1.908 44.126 42.059 0.264 0.000 1.701 583 L HN 1.079 nan 8.230 nan 0.000 0.548 584 N N -2.222 116.773 118.700 0.492 0.000 3.449 584 N HA 0.172 4.914 4.740 0.002 0.000 0.312 584 N C 0.025 175.519 175.510 -0.027 0.000 1.557 584 N CA -0.143 53.012 53.050 0.175 0.000 0.864 584 N CB 0.433 39.013 38.487 0.155 0.000 1.799 584 N HN 0.448 nan 8.380 nan 0.000 0.554 585 G N -1.391 107.248 108.800 -0.268 0.000 2.956 585 G HA2 0.031 3.992 3.960 0.002 0.000 0.207 585 G HA3 0.031 3.992 3.960 0.002 0.000 0.207 585 G C 0.279 175.036 174.900 -0.237 0.000 1.162 585 G CA 0.223 45.108 45.100 -0.357 0.000 0.796 585 G HN 0.616 nan 8.290 nan 0.000 0.527 586 E N -1.139 118.966 120.200 -0.158 0.000 2.330 586 E HA 0.037 4.388 4.350 0.002 0.000 0.200 586 E C 1.665 178.206 176.600 -0.099 0.000 0.922 586 E CA -0.343 55.945 56.400 -0.186 0.000 0.935 586 E CB 0.106 29.636 29.700 -0.283 0.000 0.917 586 E HN 0.614 nan 8.360 nan 0.000 0.491 587 W N 2.107 123.463 121.300 0.093 0.000 2.436 587 W HA 0.003 4.665 4.660 0.002 0.000 0.284 587 W C 0.710 177.323 176.519 0.157 0.000 1.225 587 W CA 0.324 57.761 57.345 0.153 0.000 1.271 587 W CB 0.468 30.004 29.460 0.126 0.000 1.114 587 W HN -0.161 nan 8.180 nan 0.000 0.559 588 E N 0.433 120.787 120.200 0.257 0.000 2.207 588 E HA 0.282 4.633 4.350 0.002 0.000 0.250 588 E C -0.721 175.872 176.600 -0.012 0.000 0.890 588 E CA -0.128 56.383 56.400 0.185 0.000 0.749 588 E CB 1.719 31.560 29.700 0.234 0.000 1.193 588 E HN -0.331 nan 8.360 nan 0.000 0.423 589 T N 1.412 115.950 114.554 -0.026 0.000 2.932 589 T HA 0.090 4.441 4.350 0.002 0.000 0.318 589 T C -1.066 173.573 174.700 -0.101 0.000 1.265 589 T CA -0.731 61.293 62.100 -0.126 0.000 1.036 589 T CB 1.516 70.126 68.868 -0.431 0.000 1.209 589 T HN 0.499 nan 8.240 nan 0.000 0.484 590 E N 1.554 121.792 120.200 0.063 0.000 2.653 590 E HA 0.271 4.622 4.350 0.002 0.000 0.264 590 E C 1.218 177.830 176.600 0.020 0.000 0.949 590 E CA 1.765 58.230 56.400 0.108 0.000 0.953 590 E CB -0.265 29.607 29.700 0.286 0.000 0.925 590 E HN 1.053 nan 8.360 nan 0.000 0.475 591 G N 3.047 111.905 108.800 0.098 0.000 2.339 591 G HA2 -0.262 3.699 3.960 0.002 0.000 0.209 591 G HA3 -0.262 3.699 3.960 0.002 0.000 0.209 591 G C -0.632 174.337 174.900 0.115 0.000 1.015 591 G CA 0.130 45.328 45.100 0.162 0.000 0.635 591 G HN 0.816 nan 8.290 nan 0.000 0.499 592 Y N -0.153 120.230 120.300 0.140 0.000 2.609 592 Y HA 0.770 5.322 4.550 0.002 0.000 0.336 592 Y C -1.001 174.987 175.900 0.146 0.000 1.129 592 Y CA -1.509 56.663 58.100 0.119 0.000 1.040 592 Y CB 0.625 39.142 38.460 0.094 0.000 1.310 592 Y HN 0.010 nan 8.280 nan 0.000 0.460 593 D N 1.061 121.692 120.400 0.385 0.000 2.387 593 D HA 0.352 4.994 4.640 0.002 0.000 0.255 593 D C -0.497 176.045 176.300 0.405 0.000 1.081 593 D CA -0.701 53.514 54.000 0.358 0.000 0.994 593 D CB 1.273 42.288 40.800 0.359 0.000 1.127 593 D HN 0.506 nan 8.370 nan 0.000 0.513 594 R N 0.545 121.245 120.500 0.333 0.000 2.641 594 R HA 0.071 4.412 4.340 0.002 0.000 0.269 594 R C 1.161 177.589 176.300 0.212 0.000 1.074 594 R CA -0.041 56.230 56.100 0.285 0.000 1.133 594 R CB 0.903 31.326 30.300 0.205 0.000 1.029 594 R HN 0.477 nan 8.270 nan 0.000 0.488 595 E N 0.927 121.234 120.200 0.179 0.000 2.230 595 E HA -0.081 4.270 4.350 0.002 0.000 0.192 595 E C -0.092 176.563 176.600 0.091 0.000 0.987 595 E CA 0.716 57.191 56.400 0.124 0.000 0.841 595 E CB 0.179 29.945 29.700 0.111 0.000 0.783 595 E HN 0.580 nan 8.360 nan 0.000 0.481 599 L N 1.578 122.735 121.223 -0.110 0.000 2.439 599 L HA 0.353 4.695 4.340 0.002 0.000 0.269 599 L C -1.942 174.824 176.870 -0.173 0.000 1.179 599 L CA -1.111 53.672 54.840 -0.095 0.000 0.828 599 L CB 0.181 42.300 42.059 0.101 0.000 1.106 599 L HN 0.116 nan 8.230 nan 0.000 0.467 600 P HA 0.263 nan 4.420 nan 0.000 0.277 600 P C -0.395 176.848 177.300 -0.096 0.000 1.240 600 P CA -0.555 62.331 63.100 -0.356 0.000 0.798 600 P CB 0.957 32.334 31.700 -0.538 0.000 0.979 601 K N 0.244 120.619 120.400 -0.041 0.000 1.692 601 K HA -0.295 4.026 4.320 0.002 0.000 0.132 601 K C 0.991 177.607 176.600 0.028 0.000 1.028 601 K CA 1.626 57.926 56.287 0.023 0.000 0.304 601 K CB -1.115 31.416 32.500 0.051 0.000 0.686 601 K HN 0.398 nan 8.250 nan 0.000 0.815 602 R N 0.944 121.468 120.500 0.040 0.000 2.468 602 R HA 0.147 4.489 4.340 0.002 0.000 0.280 602 R C 1.395 177.720 176.300 0.041 0.000 0.963 602 R CA 0.445 56.567 56.100 0.036 0.000 1.083 602 R CB 0.293 30.606 30.300 0.022 0.000 1.200 602 R HN 0.424 nan 8.270 nan 0.000 0.541 603 T N 1.213 115.802 114.554 0.057 0.000 2.620 603 T HA -0.198 4.153 4.350 0.002 0.000 0.267 603 T C 1.460 176.226 174.700 0.110 0.000 1.044 603 T CA 1.637 63.785 62.100 0.079 0.000 1.161 603 T CB -0.155 68.780 68.868 0.111 0.000 0.862 603 T HN 0.271 nan 8.240 nan 0.000 0.438 604 N N 0.493 119.301 118.700 0.180 0.000 2.270 604 N HA -0.039 4.702 4.740 0.002 0.000 0.181 604 N C 1.895 177.502 175.510 0.162 0.000 1.016 604 N CA 0.780 54.014 53.050 0.308 0.000 0.870 604 N CB -0.286 38.396 38.487 0.324 0.000 0.979 604 N HN 0.583 nan 8.380 nan 0.000 0.431 605 E N 0.375 120.627 120.200 0.087 0.000 2.072 605 E HA -0.143 4.208 4.350 0.002 0.000 0.191 605 E C 1.913 178.504 176.600 -0.015 0.000 0.985 605 E CA 0.540 56.963 56.400 0.038 0.000 0.801 605 E CB -0.020 29.696 29.700 0.026 0.000 0.750 605 E HN 0.120 nan 8.360 nan 0.000 0.452 606 L N 0.499 121.703 121.223 -0.032 0.000 2.012 606 L HA -0.176 4.166 4.340 0.002 0.000 0.210 606 L C 2.235 179.017 176.870 -0.146 0.000 1.073 606 L CA 1.532 56.325 54.840 -0.079 0.000 0.748 606 L CB -0.590 41.426 42.059 -0.072 0.000 0.891 606 L HN 0.019 nan 8.230 nan 0.000 0.431 607 V N -0.022 119.762 119.914 -0.216 0.000 2.295 607 V HA -0.285 3.836 4.120 0.002 0.000 0.246 607 V C 2.803 178.678 176.094 -0.365 0.000 1.049 607 V CA 2.154 64.181 62.300 -0.456 0.000 1.024 607 V CB -0.684 30.547 31.823 -0.986 0.000 0.648 607 V HN 0.468 nan 8.190 nan 0.000 0.447 608 R N -0.319 120.059 120.500 -0.203 0.000 2.091 608 R HA -0.173 4.169 4.340 0.002 0.000 0.238 608 R C 2.339 178.594 176.300 -0.074 0.000 1.136 608 R CA 1.646 57.700 56.100 -0.076 0.000 0.959 608 R CB -0.479 29.845 30.300 0.039 0.000 0.856 608 R HN 0.556 nan 8.270 nan 0.000 0.437 609 A N -0.004 122.770 122.820 -0.077 0.000 1.970 609 A HA -0.045 4.276 4.320 0.002 0.000 0.216 609 A C 2.229 179.764 177.584 -0.082 0.000 1.170 609 A CA 0.858 52.857 52.037 -0.063 0.000 0.645 609 A CB -0.152 18.815 19.000 -0.055 0.000 0.816 609 A HN 0.125 nan 8.150 nan 0.000 0.447 610 V N 0.265 120.107 119.914 -0.120 0.000 2.379 610 V HA -0.200 3.921 4.120 0.002 0.000 0.245 610 V C 2.491 178.513 176.094 -0.119 0.000 1.044 610 V CA 1.705 63.930 62.300 -0.125 0.000 1.036 610 V CB -0.666 31.062 31.823 -0.158 0.000 0.664 610 V HN 0.568 nan 8.190 nan 0.000 0.453 611 L N -0.139 120.997 121.223 -0.145 0.000 2.191 611 L HA -0.194 4.148 4.340 0.002 0.000 0.212 611 L C 2.538 179.371 176.870 -0.062 0.000 1.103 611 L CA 1.646 56.418 54.840 -0.112 0.000 0.769 611 L CB -0.581 41.404 42.059 -0.123 0.000 0.908 611 L HN 0.330 nan 8.230 nan 0.000 0.438 612 K N 0.418 120.787 120.400 -0.052 0.000 2.076 612 K HA -0.094 4.227 4.320 0.002 0.000 0.204 612 K C 2.175 178.757 176.600 -0.029 0.000 1.051 612 K CA 1.075 57.344 56.287 -0.030 0.000 0.949 612 K CB 0.039 32.525 32.500 -0.023 0.000 0.726 612 K HN 0.230 nan 8.250 nan 0.000 0.443 613 A N 1.035 123.833 122.820 -0.037 0.000 1.930 613 A HA -0.086 4.235 4.320 0.002 0.000 0.217 613 A C 0.889 178.457 177.584 -0.026 0.000 1.175 613 A CA 1.199 53.218 52.037 -0.030 0.000 0.627 613 A CB -0.090 18.889 19.000 -0.035 0.000 0.815 613 A HN 0.363 nan 8.150 nan 0.000 0.443 614 N N -1.422 117.256 118.700 -0.037 0.000 2.653 614 N HA 0.292 5.033 4.740 0.002 0.000 0.261 614 N C -2.888 172.597 175.510 -0.043 0.000 1.216 614 N CA -1.599 51.432 53.050 -0.031 0.000 0.784 614 N CB 1.371 39.843 38.487 -0.025 0.000 1.327 614 N HN -0.169 nan 8.380 nan 0.000 0.539 615 P HA 0.056 nan 4.420 nan 0.000 0.231 615 P C -0.131 177.147 177.300 -0.037 0.000 1.158 615 P CA 0.677 63.756 63.100 -0.035 0.000 0.763 615 P CB 0.166 31.854 31.700 -0.020 0.000 0.805 616 N N -0.244 118.434 118.700 -0.036 0.000 3.052 616 N HA 0.084 4.826 4.740 0.002 0.000 0.302 616 N C -0.423 175.056 175.510 -0.053 0.000 1.332 616 N CA 0.392 53.419 53.050 -0.039 0.000 1.129 616 N CB -0.382 38.089 38.487 -0.027 0.000 1.436 616 N HN -0.004 nan 8.380 nan 0.000 0.536 617 T N -0.304 114.208 114.554 -0.070 0.000 2.824 617 T HA 0.273 4.624 4.350 0.002 0.000 0.280 617 T C -0.167 174.473 174.700 -0.101 0.000 0.995 617 T CA -0.474 61.570 62.100 -0.092 0.000 1.009 617 T CB 2.459 71.253 68.868 -0.123 0.000 0.955 617 T HN -0.078 nan 8.240 nan 0.000 0.452 618 V N 5.596 125.449 119.914 -0.101 0.000 2.383 618 V HA 0.553 4.675 4.120 0.002 0.000 0.275 618 V C -0.489 175.532 176.094 -0.123 0.000 1.036 618 V CA -0.724 61.512 62.300 -0.106 0.000 0.889 618 V CB 0.277 32.040 31.823 -0.100 0.000 0.985 618 V HN 0.797 nan 8.190 nan 0.000 0.459 619 I N 6.980 127.461 120.570 -0.149 0.000 2.331 619 I HA 0.396 4.568 4.170 0.002 0.000 0.292 619 I C -0.428 175.608 176.117 -0.135 0.000 0.998 619 I CA -0.423 60.775 61.300 -0.170 0.000 1.267 619 I CB 1.765 39.612 38.000 -0.256 0.000 1.386 619 I HN 0.345 nan 8.210 nan 0.000 0.476 620 V N 5.739 125.602 119.914 -0.085 0.000 2.384 620 V HA 0.316 4.437 4.120 0.002 0.000 0.287 620 V C -0.287 175.797 176.094 -0.018 0.000 1.020 620 V CA -0.733 61.529 62.300 -0.064 0.000 0.850 620 V CB 1.562 33.371 31.823 -0.024 0.000 0.987 620 V HN 0.716 nan 8.190 nan 0.000 0.436 621 N N 3.667 122.347 118.700 -0.035 0.000 2.408 621 N HA 0.392 5.133 4.740 0.002 0.000 0.280 621 N C -0.684 174.839 175.510 0.022 0.000 1.002 621 N CA -0.435 52.655 53.050 0.067 0.000 0.907 621 N CB 1.536 40.150 38.487 0.211 0.000 1.161 621 N HN 0.701 nan 8.380 nan 0.000 0.488 622 Q N 1.889 121.741 119.800 0.086 0.000 2.400 622 Q HA 0.431 4.773 4.340 0.002 0.000 0.255 622 Q C -1.140 174.862 176.000 0.003 0.000 1.008 622 Q CA -0.543 55.291 55.803 0.052 0.000 0.841 622 Q CB 1.080 29.945 28.738 0.211 0.000 1.220 622 Q HN 0.759 nan 8.270 nan 0.000 0.474 623 S N -0.419 115.152 115.700 -0.216 0.000 2.596 623 S HA 0.617 5.088 4.470 0.002 0.000 0.270 623 S C 0.365 174.836 174.600 -0.215 0.000 1.155 623 S CA -0.516 57.544 58.200 -0.233 0.000 0.827 623 S CB 1.232 64.461 63.200 0.049 0.000 1.130 623 S HN 0.511 nan 8.310 nan 0.000 0.467 624 G N 0.234 109.032 108.800 -0.004 0.000 2.796 624 G HA2 0.441 4.402 3.960 0.002 0.000 0.210 624 G HA3 0.441 4.402 3.960 0.002 0.000 0.210 624 G C 0.436 175.584 174.900 0.413 0.000 1.146 624 G CA 0.695 45.995 45.100 0.332 0.000 0.779 624 G HN 1.338 nan 8.290 nan 0.000 0.535 625 T N -2.986 111.702 114.554 0.223 0.000 2.787 625 T HA 0.596 4.948 4.350 0.002 0.000 0.297 625 T C -3.477 171.003 174.700 -0.368 0.000 1.221 625 T CA -1.753 60.370 62.100 0.038 0.000 1.006 625 T CB 2.273 71.157 68.868 0.027 0.000 1.328 625 T HN -0.213 nan 8.240 nan 0.000 0.509 626 P HA 0.439 nan 4.420 nan 0.000 0.275 626 P C -0.681 176.046 177.300 -0.956 0.000 1.228 626 P CA -0.513 61.585 63.100 -1.669 0.000 0.786 626 P CB 0.651 31.439 31.700 -1.520 0.000 0.927 627 V N -0.897 118.481 119.914 -0.893 0.000 2.914 627 V HA 0.519 4.641 4.120 0.002 0.000 0.314 627 V C -0.194 175.531 176.094 -0.615 0.000 1.084 627 V CA -1.223 60.759 62.300 -0.530 0.000 0.963 627 V CB 1.824 33.467 31.823 -0.301 0.000 1.025 627 V HN 0.466 nan 8.190 nan 0.000 0.432 628 E N 1.824 121.775 120.200 -0.415 0.000 2.344 628 E HA 0.325 4.676 4.350 0.002 0.000 0.270 628 E C -1.561 174.776 176.600 -0.438 0.000 1.021 628 E CA -0.471 55.723 56.400 -0.344 0.000 0.887 628 E CB 0.640 30.223 29.700 -0.195 0.000 0.997 628 E HN 0.610 nan 8.360 nan 0.000 0.429 629 F N 6.953 126.732 119.950 -0.286 0.000 2.307 629 F HA 0.282 4.811 4.527 0.002 0.000 0.369 629 F C -1.643 173.596 175.800 -0.934 0.000 1.076 629 F CA -2.561 54.871 58.000 -0.947 0.000 1.149 629 F CB 1.391 39.810 39.000 -0.968 0.000 1.410 629 F HN 0.463 nan 8.300 nan 0.000 0.481 630 P HA -0.082 nan 4.420 nan 0.000 0.229 630 P C 1.149 178.331 177.300 -0.198 0.000 1.160 630 P CA 0.931 63.844 63.100 -0.311 0.000 0.777 630 P CB 0.013 31.625 31.700 -0.147 0.000 0.814 631 W N -1.122 120.251 121.300 0.121 0.000 3.345 631 W HA 0.244 4.905 4.660 0.003 0.000 0.282 631 W C 0.989 177.548 176.519 0.067 0.000 1.302 631 W CA -0.646 56.743 57.345 0.072 0.000 1.724 631 W CB -1.148 28.343 29.460 0.051 0.000 1.104 631 W HN -0.154 nan 8.180 nan 0.000 0.694 632 L N 2.196 123.494 121.223 0.125 0.000 2.051 632 L HA -0.253 4.089 4.340 0.002 0.000 0.214 632 L C 2.416 179.404 176.870 0.196 0.000 1.076 632 L CA 2.153 57.099 54.840 0.177 0.000 0.758 632 L CB -0.857 41.251 42.059 0.083 0.000 0.890 632 L HN -0.003 nan 8.230 nan 0.000 0.433 633 E N -1.030 119.250 120.200 0.133 0.000 2.160 633 E HA -0.212 4.139 4.350 0.002 0.000 0.195 633 E C 1.070 177.731 176.600 0.101 0.000 0.991 633 E CA 1.278 57.731 56.400 0.088 0.000 0.810 633 E CB 0.056 29.784 29.700 0.046 0.000 0.742 633 E HN 0.587 nan 8.360 nan 0.000 0.466 634 D N -0.701 119.787 120.400 0.147 0.000 2.349 634 D HA 0.086 4.727 4.640 0.002 0.000 0.214 634 D C -0.352 176.009 176.300 0.101 0.000 1.063 634 D CA 0.151 54.218 54.000 0.112 0.000 0.847 634 D CB 0.570 41.435 40.800 0.108 0.000 0.933 634 D HN 0.039 nan 8.370 nan 0.000 0.513 635 A N 0.641 123.558 122.820 0.163 0.000 2.252 635 A HA 0.339 4.660 4.320 0.002 0.000 0.309 635 A C 0.673 178.295 177.584 0.064 0.000 1.285 635 A CA -0.491 51.606 52.037 0.101 0.000 0.900 635 A CB 0.169 19.302 19.000 0.222 0.000 1.157 635 A HN -0.009 nan 8.150 nan 0.000 0.536 636 N N 1.105 119.814 118.700 0.014 0.000 2.356 636 N HA 0.298 5.039 4.740 0.002 0.000 0.178 636 N C 0.191 175.700 175.510 -0.000 0.000 1.075 636 N CA 0.698 53.756 53.050 0.013 0.000 0.889 636 N CB 0.483 38.969 38.487 -0.002 0.000 0.999 636 N HN 0.709 nan 8.380 nan 0.000 0.464 637 A N 1.010 123.814 122.820 -0.028 0.000 2.375 637 A HA 0.650 4.972 4.320 0.002 0.000 0.295 637 A C -1.752 175.780 177.584 -0.086 0.000 1.066 637 A CA -0.373 51.635 52.037 -0.048 0.000 0.722 637 A CB 1.090 20.055 19.000 -0.059 0.000 1.206 637 A HN 0.091 nan 8.150 nan 0.000 0.435 638 L N 3.183 124.339 121.223 -0.111 0.000 2.476 638 L HA 0.700 5.042 4.340 0.002 0.000 0.269 638 L C -1.602 175.118 176.870 -0.251 0.000 0.965 638 L CA -0.251 54.468 54.840 -0.200 0.000 0.845 638 L CB 2.116 44.036 42.059 -0.231 0.000 1.259 638 L HN 0.450 nan 8.230 nan 0.000 0.403 639 V N 4.045 123.810 119.914 -0.250 0.000 2.487 639 V HA 0.522 4.643 4.120 0.002 0.000 0.298 639 V C -0.536 175.380 176.094 -0.297 0.000 1.028 639 V CA -0.597 61.558 62.300 -0.242 0.000 0.860 639 V CB 1.674 33.406 31.823 -0.151 0.000 0.991 639 V HN 0.769 nan 8.190 nan 0.000 0.427 640 Q N 3.609 123.171 119.800 -0.397 0.000 2.360 640 Q HA 0.631 4.973 4.340 0.002 0.000 0.254 640 Q C 0.356 176.044 176.000 -0.520 0.000 0.975 640 Q CA 0.240 55.713 55.803 -0.550 0.000 0.912 640 Q CB 1.545 29.769 28.738 -0.856 0.000 1.212 640 Q HN 0.858 nan 8.270 nan 0.000 0.452 641 A N 4.015 126.620 122.820 -0.357 0.000 2.303 641 A HA 0.314 4.635 4.320 0.002 0.000 0.217 641 A C -0.229 177.370 177.584 0.025 0.000 1.205 641 A CA 0.062 52.019 52.037 -0.134 0.000 0.875 641 A CB -0.508 18.487 19.000 -0.010 0.000 0.910 641 A HN 0.939 nan 8.150 nan 0.000 0.501 642 W N -2.492 118.799 121.300 -0.015 0.000 1.811 642 W HA -0.313 4.348 4.660 0.002 0.000 0.265 642 W C -0.395 176.020 176.519 -0.174 0.000 1.055 642 W CA 1.064 58.337 57.345 -0.120 0.000 1.022 642 W CB -1.280 28.177 29.460 -0.005 0.000 0.887 642 W HN 0.245 nan 8.180 nan 0.000 0.551 643 Y N 1.283 121.824 120.300 0.402 0.000 2.376 643 Y HA 0.538 5.090 4.550 0.002 0.000 0.326 643 Y C 0.899 176.918 175.900 0.198 0.000 0.970 643 Y CA -1.080 57.154 58.100 0.223 0.000 1.248 643 Y CB 1.142 39.690 38.460 0.147 0.000 1.117 643 Y HN 0.480 nan 8.280 nan 0.000 0.476 644 G N 1.249 110.228 108.800 0.299 0.000 3.284 644 G HA2 0.434 4.395 3.960 0.002 0.000 0.236 644 G HA3 0.434 4.395 3.960 0.002 0.000 0.236 644 G C 0.809 175.790 174.900 0.136 0.000 1.158 644 G CA 0.252 45.480 45.100 0.212 0.000 0.774 644 G HN 1.094 nan 8.290 nan 0.000 0.545 645 G N 0.713 109.583 108.800 0.117 0.000 2.642 645 G HA2 -0.317 3.644 3.960 0.002 0.000 0.231 645 G HA3 -0.317 3.644 3.960 0.002 0.000 0.231 645 G C 0.824 175.700 174.900 -0.041 0.000 1.338 645 G CA 0.076 45.191 45.100 0.024 0.000 0.883 645 G HN 0.217 nan 8.290 nan 0.000 0.570 646 N N 0.742 119.349 118.700 -0.156 0.000 2.091 646 N HA -0.085 4.656 4.740 0.002 0.000 0.193 646 N C 1.739 177.213 175.510 -0.061 0.000 1.021 646 N CA 1.938 54.822 53.050 -0.276 0.000 0.862 646 N CB -0.085 38.074 38.487 -0.547 0.000 1.018 646 N HN 0.599 nan 8.380 nan 0.000 0.429 647 E N 0.298 120.509 120.200 0.017 0.000 2.444 647 E HA 0.059 4.411 4.350 0.002 0.000 0.191 647 E C 1.695 178.358 176.600 0.104 0.000 1.041 647 E CA -0.200 56.269 56.400 0.114 0.000 0.883 647 E CB 0.009 29.764 29.700 0.093 0.000 1.024 647 E HN 0.397 nan 8.360 nan 0.000 0.470 648 L N -1.309 119.973 121.223 0.098 0.000 2.021 648 L HA -0.090 4.251 4.340 0.002 0.000 0.215 648 L C 2.034 178.975 176.870 0.118 0.000 1.074 648 L CA 2.571 57.481 54.840 0.117 0.000 0.760 648 L CB -1.329 40.811 42.059 0.136 0.000 0.889 648 L HN 0.028 nan 8.230 nan 0.000 0.433 649 G N -0.705 108.167 108.800 0.120 0.000 2.403 649 G HA2 -0.207 3.755 3.960 0.002 0.000 0.216 649 G HA3 -0.207 3.755 3.960 0.002 0.000 0.216 649 G C 1.366 176.324 174.900 0.097 0.000 1.154 649 G CA 0.661 45.829 45.100 0.113 0.000 0.784 649 G HN 0.488 nan 8.290 nan 0.000 0.538 650 N N 1.157 119.914 118.700 0.095 0.000 2.309 650 N HA -0.020 4.722 4.740 0.002 0.000 0.182 650 N C 2.300 177.859 175.510 0.083 0.000 1.018 650 N CA 1.046 54.143 53.050 0.077 0.000 0.876 650 N CB -0.173 38.355 38.487 0.069 0.000 0.972 650 N HN 0.334 nan 8.380 nan 0.000 0.434 651 A N 0.669 123.542 122.820 0.089 0.000 1.935 651 A HA 0.095 4.417 4.320 0.002 0.000 0.214 651 A C 2.266 179.901 177.584 0.085 0.000 1.178 651 A CA 0.348 52.435 52.037 0.084 0.000 0.640 651 A CB -0.328 18.723 19.000 0.085 0.000 0.825 651 A HN 0.134 nan 8.150 nan 0.000 0.447 652 I N -0.011 120.613 120.570 0.090 0.000 2.179 652 I HA -0.291 3.881 4.170 0.002 0.000 0.242 652 I C 3.007 179.187 176.117 0.105 0.000 1.088 652 I CA 1.040 62.389 61.300 0.081 0.000 1.357 652 I CB -0.371 37.678 38.000 0.083 0.000 1.051 652 I HN 0.357 nan 8.210 nan 0.000 0.409 653 A N 0.744 123.646 122.820 0.137 0.000 1.873 653 A HA -0.304 4.018 4.320 0.002 0.000 0.218 653 A C 1.987 179.729 177.584 0.264 0.000 1.193 653 A CA 2.382 54.559 52.037 0.232 0.000 0.629 653 A CB -0.838 18.254 19.000 0.154 0.000 0.826 653 A HN 0.367 nan 8.150 nan 0.000 0.447 654 D N -0.619 119.879 120.400 0.162 0.000 2.149 654 D HA -0.130 4.512 4.640 0.002 0.000 0.194 654 D C 1.974 178.362 176.300 0.147 0.000 1.001 654 D CA 1.616 55.703 54.000 0.145 0.000 0.849 654 D CB -0.338 40.519 40.800 0.095 0.000 0.939 654 D HN 0.238 nan 8.370 nan 0.000 0.449 655 V N 0.408 120.384 119.914 0.103 0.000 2.446 655 V HA -0.096 4.026 4.120 0.002 0.000 0.244 655 V C 2.572 178.725 176.094 0.099 0.000 1.039 655 V CA 0.589 62.923 62.300 0.057 0.000 1.045 655 V CB -0.187 31.630 31.823 -0.010 0.000 0.681 655 V HN 0.160 nan 8.190 nan 0.000 0.459 656 L N -1.035 120.216 121.223 0.048 0.000 2.012 656 L HA -0.230 4.111 4.340 0.002 0.000 0.210 656 L C 2.306 179.026 176.870 -0.251 0.000 1.073 656 L CA 2.018 56.793 54.840 -0.109 0.000 0.748 656 L CB -0.591 41.340 42.059 -0.213 0.000 0.891 656 L HN 0.349 nan 8.230 nan 0.000 0.431 657 Y N -0.406 119.939 120.300 0.075 0.000 2.529 657 Y HA 0.138 4.690 4.550 0.002 0.000 0.290 657 Y C 1.826 177.794 175.900 0.114 0.000 1.177 657 Y CA 0.521 58.661 58.100 0.066 0.000 1.305 657 Y CB -0.037 38.452 38.460 0.049 0.000 1.047 657 Y HN 0.300 nan 8.280 nan 0.000 0.522 658 G N 0.053 109.008 108.800 0.259 0.000 2.155 658 G HA2 -0.327 3.634 3.960 0.002 0.000 0.257 658 G HA3 -0.327 3.634 3.960 0.002 0.000 0.257 658 G C 0.792 175.854 174.900 0.271 0.000 0.983 658 G CA 0.638 45.919 45.100 0.302 0.000 0.676 658 G HN 0.390 nan 8.290 nan 0.000 0.528 659 D N -0.597 119.940 120.400 0.228 0.000 2.178 659 D HA 0.022 4.663 4.640 0.002 0.000 0.201 659 D C 1.268 177.650 176.300 0.136 0.000 0.980 659 D CA 1.311 55.415 54.000 0.173 0.000 0.842 659 D CB 0.257 41.139 40.800 0.137 0.000 0.948 659 D HN 0.378 nan 8.370 nan 0.000 0.472 660 V N 1.618 121.599 119.914 0.112 0.000 2.448 660 V HA 0.178 4.299 4.120 0.002 0.000 0.295 660 V C 0.216 176.316 176.094 0.011 0.000 1.025 660 V CA -0.783 61.556 62.300 0.065 0.000 0.859 660 V CB 2.457 34.303 31.823 0.037 0.000 0.988 660 V HN -0.252 nan 8.190 nan 0.000 0.431 661 V N 8.053 127.964 119.914 -0.005 0.000 2.455 661 V HA 0.218 4.340 4.120 0.002 0.000 0.273 661 V C -1.934 173.996 176.094 -0.274 0.000 1.045 661 V CA -1.614 60.570 62.300 -0.194 0.000 0.976 661 V CB 1.183 32.958 31.823 -0.079 0.000 0.993 661 V HN 0.753 nan 8.190 nan 0.000 0.475 662 P HA -0.003 nan 4.420 nan 0.000 0.260 662 P C -0.060 177.100 177.300 -0.232 0.000 1.172 662 P CA 0.540 63.422 63.100 -0.362 0.000 0.760 662 P CB 0.173 31.560 31.700 -0.523 0.000 0.773 663 N N 0.772 119.393 118.700 -0.131 0.000 2.116 663 N HA 0.144 4.886 4.740 0.002 0.000 0.230 663 N C 0.642 176.102 175.510 -0.083 0.000 1.326 663 N CA -0.560 52.433 53.050 -0.096 0.000 0.867 663 N CB 0.135 38.599 38.487 -0.037 0.000 1.174 663 N HN 0.332 nan 8.380 nan 0.000 0.506 664 G N 0.625 109.393 108.800 -0.055 0.000 2.527 664 G HA2 0.388 4.350 3.960 0.002 0.000 0.248 664 G HA3 0.388 4.350 3.960 0.002 0.000 0.248 664 G C -0.444 174.411 174.900 -0.075 0.000 1.231 664 G CA -0.227 44.875 45.100 0.003 0.000 0.838 664 G HN 0.047 nan 8.290 nan 0.000 0.570 665 K N 1.071 121.440 120.400 -0.051 0.000 2.375 665 K HA 0.327 4.648 4.320 0.002 0.000 0.249 665 K C -0.218 176.423 176.600 0.069 0.000 0.942 665 K CA -0.845 55.339 56.287 -0.172 0.000 0.806 665 K CB 2.613 34.719 32.500 -0.657 0.000 1.227 665 K HN 0.336 nan 8.250 nan 0.000 0.430 666 L N 2.205 123.475 121.223 0.079 0.000 2.513 666 L HA -0.044 4.298 4.340 0.002 0.000 0.272 666 L C 1.486 178.471 176.870 0.191 0.000 1.187 666 L CA 0.236 55.235 54.840 0.266 0.000 0.895 666 L CB 0.462 42.691 42.059 0.284 0.000 1.147 666 L HN 0.806 nan 8.230 nan 0.000 0.483 667 S N 3.858 119.732 115.700 0.290 0.000 2.558 667 S HA 0.233 4.705 4.470 0.002 0.000 0.217 667 S C 0.281 175.198 174.600 0.528 0.000 0.975 667 S CA -0.181 58.173 58.200 0.257 0.000 0.912 667 S CB -0.023 63.212 63.200 0.058 0.000 0.776 667 S HN 0.476 nan 8.310 nan 0.000 0.526 668 L N 1.005 122.565 121.223 0.560 0.000 2.422 668 L HA 0.475 4.817 4.340 0.002 0.000 0.264 668 L C -0.335 176.885 176.870 0.583 0.000 0.984 668 L CA -0.789 54.387 54.840 0.560 0.000 0.819 668 L CB 2.179 44.506 42.059 0.447 0.000 1.330 668 L HN -0.069 nan 8.230 nan 0.000 0.410 669 S N 0.942 116.963 115.700 0.536 0.000 2.563 669 S HA 0.080 4.551 4.470 0.002 0.000 0.284 669 S C -0.884 173.904 174.600 0.314 0.000 1.331 669 S CA -0.047 58.399 58.200 0.410 0.000 1.047 669 S CB 0.394 63.852 63.200 0.430 0.000 0.859 669 S HN 0.484 nan 8.310 nan 0.000 0.514 670 W N 6.101 127.395 121.300 -0.010 0.000 2.485 670 W HA 0.293 4.954 4.660 0.002 0.000 0.297 670 W C -2.944 173.402 176.519 -0.288 0.000 0.999 670 W CA -2.366 54.940 57.345 -0.065 0.000 1.512 670 W CB 1.247 30.754 29.460 0.079 0.000 1.322 670 W HN 0.483 nan 8.180 nan 0.000 0.419 671 P HA 0.105 nan 4.420 nan 0.000 0.276 671 P C 0.843 177.999 177.300 -0.240 0.000 1.252 671 P CA -0.054 62.841 63.100 -0.341 0.000 0.802 671 P CB 1.144 32.725 31.700 -0.198 0.000 1.035 672 F N 0.087 119.969 119.950 -0.112 0.000 2.095 672 F HA -0.063 4.466 4.527 0.002 0.000 0.298 672 F C 1.556 177.285 175.800 -0.119 0.000 1.104 672 F CA 1.825 59.764 58.000 -0.102 0.000 1.232 672 F CB -0.309 38.625 39.000 -0.110 0.000 0.987 672 F HN 0.186 nan 8.300 nan 0.000 0.475 673 K N -0.596 119.845 120.400 0.068 0.000 2.469 673 K HA 0.255 4.577 4.320 0.002 0.000 0.254 673 K C 0.233 176.795 176.600 -0.064 0.000 0.939 673 K CA -0.787 55.487 56.287 -0.022 0.000 0.812 673 K CB 2.641 35.120 32.500 -0.036 0.000 1.301 673 K HN -0.192 nan 8.250 nan 0.000 0.433 674 L N 2.550 123.722 121.223 -0.086 0.000 2.043 674 L HA -0.247 4.095 4.340 0.002 0.000 0.212 674 L C 1.578 178.360 176.870 -0.146 0.000 1.075 674 L CA 2.141 56.948 54.840 -0.055 0.000 0.752 674 L CB -0.219 41.857 42.059 0.029 0.000 0.891 674 L HN 0.638 nan 8.230 nan 0.000 0.432 675 Q N -0.800 118.734 119.800 -0.444 0.000 2.488 675 Q HA -0.105 4.237 4.340 0.002 0.000 0.211 675 Q C 1.431 177.226 176.000 -0.343 0.000 0.967 675 Q CA 1.055 56.303 55.803 -0.924 0.000 0.926 675 Q CB -0.249 27.910 28.738 -0.966 0.000 0.992 675 Q HN 0.496 nan 8.270 nan 0.000 0.506 676 D N 0.357 120.710 120.400 -0.078 0.000 2.347 676 D HA -0.043 4.598 4.640 0.002 0.000 0.213 676 D C 0.031 176.519 176.300 0.313 0.000 0.985 676 D CA 0.309 54.394 54.000 0.141 0.000 0.879 676 D CB -0.223 40.705 40.800 0.213 0.000 0.919 676 D HN 0.420 nan 8.370 nan 0.000 0.526 677 N N 0.902 119.715 118.700 0.188 0.000 2.530 677 N HA 0.068 4.809 4.740 0.002 0.000 0.277 677 N C -1.779 173.638 175.510 -0.155 0.000 1.168 677 N CA -1.104 52.028 53.050 0.135 0.000 0.979 677 N CB 1.496 40.034 38.487 0.086 0.000 1.141 677 N HN -0.280 nan 8.380 nan 0.000 0.459 678 P HA -0.193 nan 4.420 nan 0.000 0.217 678 P C 0.257 177.328 177.300 -0.382 0.000 1.148 678 P CA 1.620 64.035 63.100 -1.141 0.000 0.828 678 P CB -0.051 30.847 31.700 -1.336 0.000 0.783 679 A N -2.242 120.458 122.820 -0.200 0.000 2.507 679 A HA 0.202 4.523 4.320 0.002 0.000 0.270 679 A C 1.367 178.976 177.584 0.042 0.000 1.318 679 A CA -0.619 51.389 52.037 -0.048 0.000 0.924 679 A CB -1.402 17.603 19.000 0.007 0.000 1.061 679 A HN -0.019 nan 8.150 nan 0.000 0.516 680 F N 0.660 120.567 119.950 -0.071 0.000 2.091 680 F HA -0.186 4.343 4.527 0.002 0.000 0.299 680 F C 1.420 177.233 175.800 0.023 0.000 1.103 680 F CA 2.036 60.023 58.000 -0.023 0.000 1.228 680 F CB -0.047 38.950 39.000 -0.004 0.000 0.984 680 F HN 0.252 nan 8.300 nan 0.000 0.477 681 L N 0.117 121.272 121.223 -0.113 0.000 2.592 681 L HA 0.058 4.400 4.340 0.002 0.000 0.227 681 L C -0.208 176.604 176.870 -0.095 0.000 1.127 681 L CA 0.415 55.136 54.840 -0.199 0.000 0.884 681 L CB -0.568 41.475 42.059 -0.027 0.000 1.065 681 L HN 0.298 nan 8.230 nan 0.000 0.457 682 N N -1.513 117.171 118.700 -0.026 0.000 2.646 682 N HA 0.066 4.808 4.740 0.002 0.000 0.296 682 N C -0.619 174.921 175.510 0.050 0.000 1.886 682 N CA -0.354 52.698 53.050 0.003 0.000 0.855 682 N CB -0.314 38.184 38.487 0.019 0.000 1.336 682 N HN -0.030 nan 8.380 nan 0.000 0.496 683 F N 0.679 120.563 119.950 -0.110 0.000 2.831 683 F HA 0.538 5.066 4.527 0.002 0.000 0.355 683 F C -0.339 175.423 175.800 -0.064 0.000 1.341 683 F CA -0.491 57.456 58.000 -0.088 0.000 1.201 683 F CB 0.322 39.276 39.000 -0.077 0.000 1.058 683 F HN -0.018 nan 8.300 nan 0.000 0.514 684 K N -0.050 120.276 120.400 -0.122 0.000 2.546 684 K HA 0.415 4.737 4.320 0.002 0.000 0.264 684 K C -0.869 175.652 176.600 -0.131 0.000 0.937 684 K CA -0.512 55.706 56.287 -0.115 0.000 0.833 684 K CB 1.871 34.328 32.500 -0.072 0.000 1.378 684 K HN -0.048 nan 8.250 nan 0.000 0.432 685 T N 2.991 117.473 114.554 -0.121 0.000 2.729 685 T HA 0.284 4.636 4.350 0.002 0.000 0.296 685 T C -0.904 173.710 174.700 -0.144 0.000 0.928 685 T CA -0.270 61.766 62.100 -0.106 0.000 1.045 685 T CB 0.254 69.075 68.868 -0.078 0.000 0.902 685 T HN 0.355 nan 8.240 nan 0.000 0.500 686 E N 2.121 122.224 120.200 -0.162 0.000 2.199 686 E HA 0.358 4.709 4.350 0.002 0.000 0.265 686 E C -0.525 175.920 176.600 -0.258 0.000 0.882 686 E CA -0.981 55.205 56.400 -0.357 0.000 0.759 686 E CB 1.163 30.675 29.700 -0.313 0.000 1.148 686 E HN 0.560 nan 8.360 nan 0.000 0.412 687 F N 1.904 121.842 119.950 -0.020 0.000 3.090 687 F HA -0.255 4.274 4.527 0.002 0.000 0.282 687 F C 1.266 177.047 175.800 -0.032 0.000 0.923 687 F CA 1.151 59.138 58.000 -0.023 0.000 0.977 687 F CB -2.154 36.832 39.000 -0.022 0.000 0.954 687 F HN 0.951 nan 8.300 nan 0.000 0.695 688 G N -0.601 108.217 108.800 0.030 0.000 2.168 688 G HA2 -0.271 3.690 3.960 0.002 0.000 0.263 688 G HA3 -0.271 3.690 3.960 0.002 0.000 0.263 688 G C 0.199 175.089 174.900 -0.018 0.000 0.977 688 G CA 0.624 45.725 45.100 0.001 0.000 0.659 688 G HN 0.938 nan 8.290 nan 0.000 0.533 689 R N -1.537 118.962 120.500 -0.002 0.000 2.867 689 R HA 0.829 5.171 4.340 0.002 0.000 0.268 689 R C -0.998 175.293 176.300 -0.015 0.000 1.014 689 R CA -1.134 54.958 56.100 -0.015 0.000 0.946 689 R CB 1.594 31.896 30.300 0.003 0.000 1.208 689 R HN 0.440 nan 8.270 nan 0.000 0.477 690 V N 2.463 122.374 119.914 -0.005 0.000 2.447 690 V HA 0.415 4.537 4.120 0.002 0.000 0.292 690 V C -0.366 175.795 176.094 0.111 0.000 1.021 690 V CA -0.682 61.640 62.300 0.037 0.000 0.850 690 V CB 1.412 33.264 31.823 0.049 0.000 1.005 690 V HN 0.663 nan 8.190 nan 0.000 0.426 691 I N 4.968 125.598 120.570 0.100 0.000 2.337 691 I HA 0.236 4.407 4.170 0.002 0.000 0.291 691 I C -0.400 175.859 176.117 0.238 0.000 1.046 691 I CA -0.438 60.936 61.300 0.124 0.000 1.324 691 I CB 0.636 38.678 38.000 0.071 0.000 1.409 691 I HN 0.530 nan 8.210 nan 0.000 0.494 692 Y N 6.003 126.278 120.300 -0.042 0.000 2.532 692 Y HA 0.123 4.674 4.550 0.002 0.000 0.337 692 Y C 1.586 177.503 175.900 0.030 0.000 1.274 692 Y CA -0.895 57.197 58.100 -0.012 0.000 1.817 692 Y CB -0.377 38.055 38.460 -0.046 0.000 1.769 692 Y HN 0.675 nan 8.280 nan 0.000 0.447 693 G N 1.321 110.215 108.800 0.157 0.000 2.443 693 G HA2 -0.197 3.765 3.960 0.002 0.000 0.219 693 G HA3 -0.197 3.765 3.960 0.002 0.000 0.219 693 G C 1.478 176.464 174.900 0.143 0.000 1.131 693 G CA 0.485 45.659 45.100 0.125 0.000 0.775 693 G HN 0.535 nan 8.290 nan 0.000 0.547 694 E N 0.901 121.179 120.200 0.131 0.000 2.427 694 E HA 0.044 4.395 4.350 0.002 0.000 0.196 694 E C 0.820 177.585 176.600 0.275 0.000 1.028 694 E CA 0.906 57.414 56.400 0.180 0.000 0.864 694 E CB -0.134 29.587 29.700 0.035 0.000 0.813 694 E HN 0.324 nan 8.360 nan 0.000 0.514 695 D N 0.816 121.352 120.400 0.227 0.000 3.685 695 D HA -0.320 4.321 4.640 0.002 0.000 0.152 695 D C 1.208 177.576 176.300 0.113 0.000 0.966 695 D CA 3.040 57.156 54.000 0.193 0.000 1.085 695 D CB -1.329 39.580 40.800 0.181 0.000 0.521 695 D HN 0.303 nan 8.370 nan 0.000 0.543 696 I N -2.017 118.491 120.570 -0.105 0.000 3.001 696 I HA 0.119 4.291 4.170 0.002 0.000 0.268 696 I C 0.732 176.627 176.117 -0.369 0.000 1.267 696 I CA 0.505 61.638 61.300 -0.278 0.000 1.472 696 I CB -0.422 37.320 38.000 -0.430 0.000 1.089 696 I HN 0.056 nan 8.210 nan 0.000 0.468 697 F N 2.825 122.814 119.950 0.065 0.000 2.652 697 F HA 0.380 4.908 4.527 0.002 0.000 0.352 697 F C 0.111 175.921 175.800 0.017 0.000 1.259 697 F CA -0.210 57.827 58.000 0.063 0.000 1.249 697 F CB -0.234 38.857 39.000 0.152 0.000 1.628 697 F HN -0.188 nan 8.300 nan 0.000 0.654 698 V N 1.531 121.464 119.914 0.033 0.000 2.513 698 V HA 0.794 4.915 4.120 0.002 0.000 0.299 698 V C 0.713 176.775 176.094 -0.054 0.000 1.035 698 V CA -0.150 62.128 62.300 -0.037 0.000 0.889 698 V CB 1.124 32.909 31.823 -0.062 0.000 0.988 698 V HN 0.875 nan 8.190 nan 0.000 0.440 699 G N 4.509 113.308 108.800 -0.001 0.000 2.574 699 G HA2 -0.384 3.578 3.960 0.002 0.000 0.286 699 G HA3 -0.384 3.578 3.960 0.002 0.000 0.286 699 G C 0.611 175.669 174.900 0.264 0.000 1.212 699 G CA 1.299 46.506 45.100 0.178 0.000 0.979 699 G HN 1.503 nan 8.290 nan 0.000 0.557 700 Y N 1.018 121.484 120.300 0.276 0.000 2.403 700 Y HA 0.096 4.647 4.550 0.002 0.000 0.291 700 Y C 2.851 178.901 175.900 0.250 0.000 1.143 700 Y CA 1.728 60.028 58.100 0.332 0.000 1.257 700 Y CB -0.495 38.126 38.460 0.268 0.000 0.984 700 Y HN 0.457 nan 8.280 nan 0.000 0.550 701 R N -0.778 119.514 120.500 -0.347 0.000 2.120 701 R HA -0.167 4.174 4.340 0.002 0.000 0.234 701 R C 1.885 178.305 176.300 0.200 0.000 1.123 701 R CA 1.744 57.783 56.100 -0.103 0.000 0.975 701 R CB -0.670 29.524 30.300 -0.176 0.000 0.866 701 R HN 0.507 nan 8.270 nan 0.000 0.446 702 Y N 0.198 120.487 120.300 -0.019 0.000 2.176 702 Y HA -0.197 4.354 4.550 0.002 0.000 0.291 702 Y C 1.748 177.560 175.900 -0.147 0.000 1.122 702 Y CA 1.224 59.255 58.100 -0.116 0.000 1.128 702 Y CB -0.350 37.909 38.460 -0.336 0.000 1.005 702 Y HN -0.089 nan 8.280 nan 0.000 0.509 703 Y N 0.936 121.321 120.300 0.142 0.000 2.165 703 Y HA -0.211 4.341 4.550 0.002 0.000 0.286 703 Y C 2.424 178.313 175.900 -0.018 0.000 1.155 703 Y CA 1.888 60.002 58.100 0.023 0.000 1.164 703 Y CB -0.746 37.802 38.460 0.148 0.000 0.978 703 Y HN 0.241 nan 8.280 nan 0.000 0.513 704 E N -0.100 120.220 120.200 0.201 0.000 2.072 704 E HA -0.218 4.134 4.350 0.002 0.000 0.191 704 E C 2.064 178.676 176.600 0.020 0.000 0.985 704 E CA 1.197 57.672 56.400 0.125 0.000 0.801 704 E CB -0.114 29.695 29.700 0.181 0.000 0.750 704 E HN 0.180 nan 8.360 nan 0.000 0.452 705 K N 0.819 121.196 120.400 -0.039 0.000 2.097 705 K HA -0.117 4.205 4.320 0.002 0.000 0.206 705 K C 1.625 178.088 176.600 -0.227 0.000 1.049 705 K CA 0.833 57.031 56.287 -0.147 0.000 0.933 705 K CB -0.029 32.296 32.500 -0.292 0.000 0.717 705 K HN -0.011 nan 8.250 nan 0.000 0.442 706 L N 1.199 122.239 121.223 -0.306 0.000 2.554 706 L HA 0.130 4.472 4.340 0.002 0.000 0.226 706 L C 0.059 176.846 176.870 -0.138 0.000 1.137 706 L CA 0.789 55.456 54.840 -0.290 0.000 0.863 706 L CB -0.363 41.413 42.059 -0.471 0.000 0.985 706 L HN 0.269 nan 8.230 nan 0.000 0.451 707 Q N 0.057 119.812 119.800 -0.074 0.000 2.451 707 Q HA -0.271 4.071 4.340 0.002 0.000 0.305 707 Q C 0.244 176.248 176.000 0.007 0.000 1.345 707 Q CA 0.539 56.331 55.803 -0.017 0.000 0.854 707 Q CB -1.227 27.494 28.738 -0.027 0.000 1.162 707 Q HN 0.367 nan 8.270 nan 0.000 0.440 708 R N 1.349 121.877 120.500 0.047 0.000 2.255 708 R HA 0.236 4.578 4.340 0.002 0.000 0.326 708 R C -0.437 175.942 176.300 0.131 0.000 0.986 708 R CA -0.610 55.552 56.100 0.103 0.000 0.847 708 R CB 0.774 31.180 30.300 0.175 0.000 1.111 708 R HN -0.103 nan 8.270 nan 0.000 0.452 709 K N 3.361 123.829 120.400 0.114 0.000 2.295 709 K HA 0.187 4.509 4.320 0.002 0.000 0.270 709 K C -0.056 176.588 176.600 0.073 0.000 1.011 709 K CA -0.287 56.069 56.287 0.114 0.000 0.953 709 K CB 1.252 33.868 32.500 0.193 0.000 0.956 709 K HN 0.502 nan 8.250 nan 0.000 0.477 710 V N -2.063 117.723 119.914 -0.213 0.000 3.113 710 V HA 0.550 4.671 4.120 0.002 0.000 0.316 710 V C 1.031 176.390 176.094 -1.225 0.000 1.125 710 V CA -0.519 61.391 62.300 -0.649 0.000 1.026 710 V CB 1.398 32.866 31.823 -0.591 0.000 1.080 710 V HN 0.762 nan 8.190 nan 0.000 0.444 711 A N 1.013 122.839 122.820 -1.657 0.000 1.855 711 A HA 0.297 4.618 4.320 0.002 0.000 0.215 711 A C 0.643 177.400 177.584 -1.378 0.000 1.191 711 A CA 1.543 52.611 52.037 -1.614 0.000 0.613 711 A CB -0.567 17.894 19.000 -0.899 0.000 0.829 711 A HN 0.865 nan 8.150 nan 0.000 0.442 712 F N -0.820 118.900 119.950 -0.382 0.000 2.574 712 F HA 0.487 5.016 4.527 0.002 0.000 0.313 712 F C -2.668 173.039 175.800 -0.155 0.000 1.130 712 F CA -2.587 55.200 58.000 -0.355 0.000 0.936 712 F CB 2.216 41.014 39.000 -0.337 0.000 1.219 712 F HN -0.074 nan 8.300 nan 0.000 0.445 713 P HA 0.205 nan 4.420 nan 0.000 0.282 713 P C -0.549 176.922 177.300 0.285 0.000 1.259 713 P CA -0.416 62.767 63.100 0.138 0.000 0.826 713 P CB 1.155 32.905 31.700 0.084 0.000 1.064 714 F N 1.546 121.616 119.950 0.200 0.000 2.629 714 F HA 0.270 4.799 4.527 0.003 0.000 0.369 714 F C 1.503 177.394 175.800 0.151 0.000 1.125 714 F CA 2.088 60.216 58.000 0.213 0.000 1.330 714 F CB -0.330 38.769 39.000 0.166 0.000 1.071 714 F HN 0.743 nan 8.300 nan 0.000 0.595 715 G N 3.676 112.048 108.800 -0.713 0.000 2.162 715 G HA2 -0.362 3.600 3.960 0.002 0.000 0.260 715 G HA3 -0.362 3.600 3.960 0.002 0.000 0.260 715 G C -0.292 174.420 174.900 -0.313 0.000 0.976 715 G CA 0.203 44.907 45.100 -0.660 0.000 0.655 715 G HN 0.976 nan 8.290 nan 0.000 0.533 716 Y N 1.231 121.407 120.300 -0.207 0.000 2.316 716 Y HA 0.531 5.082 4.550 0.002 0.000 0.331 716 Y C 0.635 176.444 175.900 -0.152 0.000 1.083 716 Y CA 0.531 58.558 58.100 -0.122 0.000 1.206 716 Y CB 1.395 39.857 38.460 0.003 0.000 1.195 716 Y HN 0.594 nan 8.280 nan 0.000 0.497 717 G N 5.710 114.072 108.800 -0.731 0.000 2.667 717 G HA2 0.431 4.393 3.960 0.002 0.000 0.294 717 G HA3 0.431 4.393 3.960 0.002 0.000 0.294 717 G C -2.135 172.395 174.900 -0.616 0.000 1.467 717 G CA -0.970 43.791 45.100 -0.564 0.000 0.852 717 G HN 0.733 nan 8.290 nan 0.000 0.521 718 L N 0.341 121.308 121.223 -0.426 0.000 2.400 718 L HA 0.814 5.155 4.340 0.002 0.000 0.264 718 L C 0.703 177.440 176.870 -0.223 0.000 1.061 718 L CA -0.811 53.859 54.840 -0.284 0.000 0.799 718 L CB 1.935 43.892 42.059 -0.171 0.000 1.240 718 L HN 0.592 nan 8.230 nan 0.000 0.461 719 S N -1.626 113.990 115.700 -0.140 0.000 2.745 719 S HA 0.441 4.912 4.470 0.002 0.000 0.306 719 S C -0.234 174.286 174.600 -0.134 0.000 1.137 719 S CA -0.463 57.639 58.200 -0.162 0.000 0.900 719 S CB 0.905 64.145 63.200 0.066 0.000 1.176 719 S HN 0.379 nan 8.310 nan 0.000 0.520 720 Y N 0.861 121.030 120.300 -0.218 0.000 2.468 720 Y HA 0.366 4.917 4.550 0.002 0.000 0.268 720 Y C 1.280 177.106 175.900 -0.124 0.000 1.177 720 Y CA -0.144 57.754 58.100 -0.337 0.000 1.265 720 Y CB -0.289 37.597 38.460 -0.957 0.000 1.103 720 Y HN 0.455 nan 8.280 nan 0.000 0.522 721 T N -0.613 113.954 114.554 0.021 0.000 2.858 721 T HA 0.615 4.966 4.350 0.002 0.000 0.285 721 T C -0.242 174.331 174.700 -0.212 0.000 1.052 721 T CA -0.455 61.592 62.100 -0.090 0.000 1.009 721 T CB 1.361 70.106 68.868 -0.204 0.000 1.241 721 T HN 0.047 nan 8.240 nan 0.000 0.542 722 T N 0.303 114.658 114.554 -0.332 0.000 2.932 722 T HA 0.833 5.185 4.350 0.002 0.000 0.289 722 T C -1.230 173.175 174.700 -0.492 0.000 1.039 722 T CA -0.589 61.366 62.100 -0.240 0.000 1.024 722 T CB 1.124 69.926 68.868 -0.110 0.000 1.090 722 T HN 0.393 nan 8.240 nan 0.000 0.496 723 F N -0.044 119.892 119.950 -0.024 0.000 2.643 723 F HA 0.627 5.155 4.527 0.002 0.000 0.314 723 F C -0.203 175.584 175.800 -0.021 0.000 1.096 723 F CA -0.867 57.117 58.000 -0.026 0.000 0.953 723 F CB 2.357 41.333 39.000 -0.040 0.000 1.345 723 F HN 0.906 nan 8.300 nan 0.000 0.468 724 E N 1.152 121.472 120.200 0.200 0.000 2.383 724 E HA 0.747 5.099 4.350 0.002 0.000 0.275 724 E C -2.048 174.606 176.600 0.090 0.000 0.918 724 E CA -1.158 55.306 56.400 0.106 0.000 0.764 724 E CB 2.757 32.492 29.700 0.058 0.000 1.252 724 E HN 0.492 nan 8.360 nan 0.000 0.449 725 L N -1.107 120.148 121.223 0.054 0.000 2.393 725 L HA 0.767 5.109 4.340 0.002 0.000 0.260 725 L C -1.522 175.362 176.870 0.024 0.000 1.002 725 L CA -0.666 54.196 54.840 0.036 0.000 0.818 725 L CB 2.202 44.273 42.059 0.020 0.000 1.369 725 L HN 0.497 nan 8.230 nan 0.000 0.412 726 D N 1.769 122.182 120.400 0.021 0.000 2.819 726 D HA 0.503 5.145 4.640 0.002 0.000 0.232 726 D C -0.574 175.735 176.300 0.015 0.000 1.160 726 D CA -0.083 53.926 54.000 0.015 0.000 0.858 726 D CB 2.925 43.735 40.800 0.017 0.000 1.610 726 D HN 0.593 nan 8.370 nan 0.000 0.481 727 I N 1.547 122.122 120.570 0.008 0.000 2.452 727 I HA -0.035 4.136 4.170 0.002 0.000 0.287 727 I C 1.519 177.655 176.117 0.031 0.000 1.079 727 I CA 0.275 61.586 61.300 0.018 0.000 1.387 727 I CB 0.607 38.603 38.000 -0.007 0.000 1.404 727 I HN 0.351 nan 8.210 nan 0.000 0.522 728 S N 2.312 118.038 115.700 0.042 0.000 2.523 728 S HA 0.215 4.687 4.470 0.002 0.000 0.217 728 S C 0.050 174.683 174.600 0.056 0.000 0.996 728 S CA -0.353 57.872 58.200 0.042 0.000 0.921 728 S CB 0.215 63.434 63.200 0.031 0.000 0.829 728 S HN 0.678 nan 8.310 nan 0.000 0.495 729 D N -0.315 120.134 120.400 0.081 0.000 2.803 729 D HA 0.582 5.223 4.640 0.002 0.000 0.218 729 D C -2.203 174.209 176.300 0.186 0.000 1.245 729 D CA -0.453 53.605 54.000 0.095 0.000 0.821 729 D CB 1.810 42.639 40.800 0.047 0.000 1.626 729 D HN 0.083 nan 8.370 nan 0.000 0.487 730 F N 2.670 122.616 119.950 -0.006 0.000 2.653 730 F HA 0.472 5.001 4.527 0.002 0.000 0.327 730 F C -1.419 174.368 175.800 -0.021 0.000 1.195 730 F CA -0.429 57.564 58.000 -0.012 0.000 0.993 730 F CB 1.120 40.125 39.000 0.008 0.000 1.259 730 F HN 0.161 nan 8.300 nan 0.000 0.478 731 K N 5.585 125.653 120.400 -0.553 0.000 2.443 731 K HA 0.724 5.046 4.320 0.002 0.000 0.252 731 K C -1.648 174.584 176.600 -0.614 0.000 0.933 731 K CA -1.097 54.923 56.287 -0.444 0.000 0.792 731 K CB 3.052 35.420 32.500 -0.219 0.000 1.185 731 K HN 0.308 nan 8.250 nan 0.000 0.425 732 V N 2.377 121.994 119.914 -0.494 0.000 2.384 732 V HA 0.299 4.421 4.120 0.002 0.000 0.287 732 V C 0.296 176.245 176.094 -0.242 0.000 1.020 732 V CA -0.681 61.353 62.300 -0.442 0.000 0.850 732 V CB 1.411 32.928 31.823 -0.509 0.000 0.987 732 V HN 0.973 nan 8.190 nan 0.000 0.436 733 T N -0.345 114.079 114.554 -0.215 0.000 2.912 733 T HA 0.299 4.650 4.350 0.002 0.000 0.280 733 T C 0.670 175.296 174.700 -0.123 0.000 0.989 733 T CA -0.515 61.501 62.100 -0.139 0.000 0.995 733 T CB 1.219 70.014 68.868 -0.122 0.000 1.077 733 T HN 0.544 nan 8.240 nan 0.000 0.531 734 D N -0.169 120.182 120.400 -0.081 0.000 2.357 734 D HA -0.015 4.626 4.640 0.002 0.000 0.216 734 D C 0.920 177.167 176.300 -0.089 0.000 0.973 734 D CA 1.302 55.264 54.000 -0.062 0.000 0.912 734 D CB 0.034 40.809 40.800 -0.041 0.000 0.900 734 D HN 0.750 nan 8.370 nan 0.000 0.501 735 D N -1.760 118.568 120.400 -0.120 0.000 2.348 735 D HA 0.117 4.759 4.640 0.002 0.000 0.283 735 D C -0.498 175.699 176.300 -0.171 0.000 1.096 735 D CA 0.132 54.050 54.000 -0.137 0.000 0.863 735 D CB 0.760 41.490 40.800 -0.115 0.000 1.465 735 D HN -0.055 nan 8.370 nan 0.000 0.515 736 K N 0.255 120.545 120.400 -0.183 0.000 2.527 736 K HA 0.526 4.847 4.320 0.002 0.000 0.260 736 K C -1.132 175.317 176.600 -0.252 0.000 0.937 736 K CA -0.721 55.447 56.287 -0.198 0.000 0.826 736 K CB 2.838 35.242 32.500 -0.160 0.000 1.359 736 K HN -0.114 nan 8.250 nan 0.000 0.434 737 I N 1.645 122.065 120.570 -0.250 0.000 2.378 737 I HA 0.414 4.585 4.170 0.002 0.000 0.291 737 I C -0.604 175.382 176.117 -0.219 0.000 0.992 737 I CA -0.811 60.305 61.300 -0.306 0.000 1.154 737 I CB 1.898 39.759 38.000 -0.231 0.000 1.315 737 I HN 0.687 nan 8.210 nan 0.000 0.448 738 A N 8.211 130.860 122.820 -0.284 0.000 2.291 738 A HA 0.842 5.163 4.320 0.002 0.000 0.311 738 A C -0.670 176.844 177.584 -0.117 0.000 1.224 738 A CA -0.382 51.553 52.037 -0.170 0.000 0.821 738 A CB 0.413 19.318 19.000 -0.158 0.000 1.172 738 A HN 0.672 nan 8.150 nan 0.000 0.494 739 I N 1.446 122.020 120.570 0.006 0.000 2.509 739 I HA 0.416 4.587 4.170 0.002 0.000 0.293 739 I C 0.096 176.252 176.117 0.065 0.000 1.020 739 I CA -0.332 61.040 61.300 0.119 0.000 1.088 739 I CB 2.418 40.534 38.000 0.193 0.000 1.267 739 I HN 0.463 nan 8.210 nan 0.000 0.430 740 S N 4.172 119.916 115.700 0.075 0.000 2.472 740 S HA 0.713 5.184 4.470 0.002 0.000 0.303 740 S C -0.567 174.061 174.600 0.046 0.000 1.099 740 S CA -0.619 57.607 58.200 0.044 0.000 1.077 740 S CB 2.083 65.302 63.200 0.033 0.000 1.031 740 S HN 0.313 nan 8.310 nan 0.000 0.487 741 V N 3.106 123.038 119.914 0.030 0.000 2.577 741 V HA 0.378 4.500 4.120 0.002 0.000 0.303 741 V C -1.102 175.004 176.094 0.020 0.000 1.042 741 V CA -0.954 61.361 62.300 0.025 0.000 0.872 741 V CB 2.116 33.951 31.823 0.020 0.000 0.998 741 V HN 0.738 nan 8.190 nan 0.000 0.423 742 D N 3.424 123.837 120.400 0.022 0.000 2.249 742 D HA 0.526 5.167 4.640 0.002 0.000 0.246 742 D C -0.457 175.861 176.300 0.030 0.000 1.114 742 D CA 0.050 54.065 54.000 0.025 0.000 0.854 742 D CB 2.050 42.865 40.800 0.025 0.000 1.132 742 D HN 0.265 nan 8.370 nan 0.000 0.461 743 V N 2.610 122.546 119.914 0.036 0.000 2.540 743 V HA 0.415 4.537 4.120 0.002 0.000 0.302 743 V C 0.047 176.199 176.094 0.098 0.000 1.035 743 V CA -0.903 61.431 62.300 0.056 0.000 0.873 743 V CB 2.011 33.841 31.823 0.012 0.000 0.992 743 V HN 0.348 nan 8.190 nan 0.000 0.428 744 K N 3.275 123.759 120.400 0.140 0.000 2.345 744 K HA 0.439 4.760 4.320 0.002 0.000 0.255 744 K C -0.506 176.195 176.600 0.168 0.000 0.934 744 K CA -0.698 55.664 56.287 0.125 0.000 0.801 744 K CB 1.460 33.995 32.500 0.058 0.000 1.137 744 K HN 0.655 nan 8.250 nan 0.000 0.424 745 N N 2.873 121.622 118.700 0.081 0.000 2.402 745 N HA -0.008 4.734 4.740 0.002 0.000 0.259 745 N C -0.299 175.103 175.510 -0.181 0.000 1.167 745 N CA -0.019 52.904 53.050 -0.211 0.000 0.949 745 N CB 0.798 39.157 38.487 -0.213 0.000 1.212 745 N HN 0.653 nan 8.380 nan 0.000 0.493 746 T N 0.202 114.639 114.554 -0.195 0.000 3.312 746 T HA 0.373 4.725 4.350 0.002 0.000 0.251 746 T C 0.786 175.413 174.700 -0.122 0.000 1.012 746 T CA -0.611 61.422 62.100 -0.113 0.000 0.925 746 T CB -0.202 68.625 68.868 -0.068 0.000 1.049 746 T HN 0.315 nan 8.240 nan 0.000 0.583 747 G N 0.841 109.547 108.800 -0.157 0.000 2.667 747 G HA2 0.540 4.502 3.960 0.002 0.000 0.310 747 G HA3 0.540 4.502 3.960 0.002 0.000 0.310 747 G C -0.331 174.520 174.900 -0.083 0.000 1.259 747 G CA -0.682 44.355 45.100 -0.105 0.000 1.019 747 G HN 0.316 nan 8.290 nan 0.000 0.496 748 D N -2.341 118.020 120.400 -0.066 0.000 2.520 748 D HA 0.106 4.748 4.640 0.002 0.000 0.223 748 D C 1.147 177.382 176.300 -0.109 0.000 1.186 748 D CA 0.002 53.957 54.000 -0.075 0.000 0.821 748 D CB 0.817 41.578 40.800 -0.064 0.000 1.072 748 D HN 0.396 nan 8.370 nan 0.000 0.518 749 K N -0.801 119.515 120.400 -0.140 0.000 2.312 749 K HA 0.240 4.561 4.320 0.002 0.000 0.206 749 K C -0.547 175.814 176.600 -0.398 0.000 1.121 749 K CA 0.101 56.195 56.287 -0.322 0.000 0.923 749 K CB 0.411 32.624 32.500 -0.478 0.000 1.162 749 K HN -0.053 nan 8.250 nan 0.000 0.478 750 F N 1.608 121.546 119.950 -0.019 0.000 2.420 750 F HA 0.435 4.963 4.527 0.002 0.000 0.342 750 F C 0.335 176.117 175.800 -0.029 0.000 1.113 750 F CA -1.160 56.846 58.000 0.011 0.000 1.059 750 F CB 1.406 40.447 39.000 0.068 0.000 1.128 750 F HN 0.044 nan 8.300 nan 0.000 0.475 751 A N 2.169 125.098 122.820 0.181 0.000 2.448 751 A HA 0.687 5.008 4.320 0.002 0.000 0.239 751 A C 0.485 178.145 177.584 0.127 0.000 1.080 751 A CA 0.585 52.665 52.037 0.072 0.000 0.779 751 A CB -0.138 18.927 19.000 0.108 0.000 1.026 751 A HN 1.117 nan 8.150 nan 0.000 0.499 752 G N -0.930 107.864 108.800 -0.010 0.000 2.368 752 G HA2 0.509 4.470 3.960 0.002 0.000 0.293 752 G HA3 0.509 4.470 3.960 0.002 0.000 0.293 752 G C -1.055 174.004 174.900 0.265 0.000 1.467 752 G CA -0.258 44.965 45.100 0.205 0.000 0.804 752 G HN 0.984 nan 8.290 nan 0.000 0.535 753 S N -0.184 115.668 115.700 0.253 0.000 2.475 753 S HA 0.703 5.174 4.470 0.002 0.000 0.298 753 S C -0.463 173.966 174.600 -0.285 0.000 1.119 753 S CA -0.528 57.703 58.200 0.052 0.000 1.085 753 S CB 1.979 65.239 63.200 0.100 0.000 1.028 753 S HN 0.753 nan 8.310 nan 0.000 0.489 754 E N 1.324 121.156 120.200 -0.614 0.000 2.244 754 E HA 0.603 4.955 4.350 0.002 0.000 0.266 754 E C -1.566 174.793 176.600 -0.401 0.000 0.914 754 E CA -0.834 55.076 56.400 -0.818 0.000 0.794 754 E CB 1.425 30.274 29.700 -1.419 0.000 1.210 754 E HN 0.287 nan 8.360 nan 0.000 0.414 755 V N 3.789 123.497 119.914 -0.343 0.000 2.350 755 V HA 0.318 4.439 4.120 0.002 0.000 0.285 755 V C -0.512 175.472 176.094 -0.183 0.000 1.014 755 V CA -0.865 61.299 62.300 -0.227 0.000 0.831 755 V CB 1.464 33.070 31.823 -0.363 0.000 1.000 755 V HN 0.560 nan 8.190 nan 0.000 0.433 756 V N 5.813 125.684 119.914 -0.072 0.000 2.498 756 V HA 0.346 4.467 4.120 0.002 0.000 0.279 756 V C 0.061 176.190 176.094 0.059 0.000 1.048 756 V CA -0.293 61.992 62.300 -0.024 0.000 0.967 756 V CB 1.327 33.146 31.823 -0.006 0.000 0.988 756 V HN 0.897 nan 8.190 nan 0.000 0.473 757 Q N 3.112 122.946 119.800 0.057 0.000 2.330 757 Q HA 0.628 4.969 4.340 0.002 0.000 0.269 757 Q C -1.380 174.648 176.000 0.047 0.000 1.022 757 Q CA -0.580 55.269 55.803 0.076 0.000 0.796 757 Q CB 2.685 31.489 28.738 0.110 0.000 1.271 757 Q HN 0.590 nan 8.270 nan 0.000 0.450 758 V N 3.423 123.304 119.914 -0.054 0.000 2.384 758 V HA 0.444 4.565 4.120 0.002 0.000 0.287 758 V C -1.115 174.880 176.094 -0.164 0.000 1.020 758 V CA -0.675 61.597 62.300 -0.046 0.000 0.850 758 V CB 0.459 32.289 31.823 0.012 0.000 0.987 758 V HN 0.648 nan 8.190 nan 0.000 0.436 759 Y N 3.727 124.036 120.300 0.015 0.000 2.509 759 Y HA 0.732 5.284 4.550 0.002 0.000 0.341 759 Y C -0.380 175.492 175.900 -0.046 0.000 1.038 759 Y CA -0.756 57.418 58.100 0.122 0.000 1.089 759 Y CB 2.096 40.638 38.460 0.137 0.000 1.241 759 Y HN 0.498 nan 8.280 nan 0.000 0.468 760 F N 0.187 120.324 119.950 0.313 0.000 2.561 760 F HA 0.681 5.210 4.527 0.002 0.000 0.321 760 F C -0.268 175.695 175.800 0.271 0.000 1.065 760 F CA -0.701 57.465 58.000 0.277 0.000 0.934 760 F CB 2.305 41.457 39.000 0.252 0.000 1.215 760 F HN 0.266 nan 8.300 nan 0.000 0.471 761 S N 0.950 116.896 115.700 0.411 0.000 2.547 761 S HA 0.744 5.216 4.470 0.002 0.000 0.281 761 S C -0.956 173.798 174.600 0.256 0.000 1.118 761 S CA -0.803 57.566 58.200 0.280 0.000 0.947 761 S CB 1.831 65.118 63.200 0.147 0.000 1.053 761 S HN 0.741 nan 8.310 nan 0.000 0.482 762 A N 2.687 125.606 122.820 0.166 0.000 2.276 762 A HA 0.600 4.922 4.320 0.002 0.000 0.300 762 A C 0.659 178.126 177.584 -0.194 0.000 1.235 762 A CA -0.514 51.430 52.037 -0.154 0.000 0.867 762 A CB -0.157 18.827 19.000 -0.026 0.000 1.137 762 A HN 0.914 nan 8.150 nan 0.000 0.527 763 L N 1.460 122.492 121.223 -0.318 0.000 2.202 763 L HA 0.041 4.383 4.340 0.002 0.000 0.205 763 L C 0.433 177.209 176.870 -0.157 0.000 1.083 763 L CA 0.832 55.562 54.840 -0.183 0.000 0.790 763 L CB -0.072 41.883 42.059 -0.173 0.000 0.942 763 L HN 0.779 nan 8.230 nan 0.000 0.452 764 N N -0.874 117.704 118.700 -0.203 0.000 2.644 764 N HA 0.089 4.830 4.740 0.002 0.000 0.313 764 N C -0.393 175.041 175.510 -0.127 0.000 1.863 764 N CA -0.073 52.897 53.050 -0.132 0.000 0.918 764 N CB 0.997 39.424 38.487 -0.101 0.000 1.320 764 N HN -0.076 nan 8.380 nan 0.000 0.490 765 S N 0.268 115.885 115.700 -0.138 0.000 2.568 765 S HA 0.083 4.555 4.470 0.002 0.000 0.282 765 S C 1.256 175.808 174.600 -0.081 0.000 1.338 765 S CA -0.044 58.084 58.200 -0.118 0.000 1.045 765 S CB 0.712 63.828 63.200 -0.140 0.000 0.873 765 S HN 0.249 nan 8.310 nan 0.000 0.516 766 K N 1.822 122.186 120.400 -0.060 0.000 2.486 766 K HA 0.217 4.539 4.320 0.002 0.000 0.194 766 K C -0.212 176.354 176.600 -0.056 0.000 1.033 766 K CA 0.239 56.509 56.287 -0.028 0.000 1.004 766 K CB 0.187 32.706 32.500 0.032 0.000 0.798 766 K HN 0.314 nan 8.250 nan 0.000 0.495 767 V N -0.137 119.694 119.914 -0.138 0.000 2.769 767 V HA 0.200 4.321 4.120 0.002 0.000 0.312 767 V C -0.574 175.460 176.094 -0.100 0.000 1.061 767 V CA -1.060 61.142 62.300 -0.164 0.000 0.931 767 V CB 2.024 33.589 31.823 -0.430 0.000 1.010 767 V HN 0.026 nan 8.190 nan 0.000 0.433 768 S N 5.760 121.457 115.700 -0.005 0.000 2.537 768 S HA 0.359 4.830 4.470 0.002 0.000 0.286 768 S C -0.054 174.617 174.600 0.119 0.000 1.299 768 S CA -0.179 58.076 58.200 0.091 0.000 1.067 768 S CB -0.098 63.214 63.200 0.186 0.000 0.864 768 S HN 0.645 nan 8.310 nan 0.000 0.494 769 R N 3.617 124.204 120.500 0.144 0.000 2.919 769 R HA 0.520 4.861 4.340 0.002 0.000 0.260 769 R C -2.854 173.625 176.300 0.299 0.000 1.067 769 R CA -2.355 53.832 56.100 0.146 0.000 1.003 769 R CB 0.455 30.809 30.300 0.091 0.000 1.192 769 R HN 0.399 nan 8.270 nan 0.000 0.488 770 P HA 0.031 nan 4.420 nan 0.000 0.272 770 P C 0.993 178.427 177.300 0.223 0.000 1.223 770 P CA -0.269 63.017 63.100 0.310 0.000 0.784 770 P CB 0.590 32.383 31.700 0.155 0.000 0.923 771 V N 0.871 120.902 119.914 0.195 0.000 2.324 771 V HA -0.202 3.919 4.120 0.002 0.000 0.250 771 V C 1.138 177.336 176.094 0.174 0.000 1.060 771 V CA 2.126 64.513 62.300 0.145 0.000 1.042 771 V CB -1.175 30.716 31.823 0.114 0.000 0.650 771 V HN 0.774 nan 8.190 nan 0.000 0.450 772 K N -0.657 119.887 120.400 0.239 0.000 2.607 772 K HA 0.596 4.917 4.320 0.002 0.000 0.287 772 K C -1.652 175.241 176.600 0.489 0.000 0.996 772 K CA -0.853 55.630 56.287 0.327 0.000 0.876 772 K CB 1.994 34.655 32.500 0.267 0.000 1.496 772 K HN 0.137 nan 8.250 nan 0.000 0.415 773 E N 1.393 121.938 120.200 0.574 0.000 2.275 773 E HA 0.237 4.588 4.350 0.002 0.000 0.270 773 E C -1.398 175.526 176.600 0.539 0.000 0.882 773 E CA -1.152 55.595 56.400 0.579 0.000 0.758 773 E CB 2.462 32.376 29.700 0.356 0.000 1.195 773 E HN 0.450 nan 8.360 nan 0.000 0.419 774 L N 3.209 124.686 121.223 0.425 0.000 2.462 774 L HA 0.065 4.407 4.340 0.002 0.000 0.272 774 L C 0.239 177.087 176.870 -0.036 0.000 1.166 774 L CA 0.772 55.576 54.840 -0.061 0.000 0.880 774 L CB 0.154 42.264 42.059 0.084 0.000 1.142 774 L HN 0.464 nan 8.230 nan 0.000 0.473 775 K N 3.872 124.140 120.400 -0.219 0.000 2.517 775 K HA 0.469 4.790 4.320 0.002 0.000 0.210 775 K C -0.025 176.045 176.600 -0.883 0.000 1.166 775 K CA 0.348 56.246 56.287 -0.649 0.000 1.030 775 K CB 1.268 33.647 32.500 -0.201 0.000 0.974 775 K HN 0.716 nan 8.250 nan 0.000 0.585 776 G N 1.326 109.912 108.800 -0.357 0.000 2.667 776 G HA2 0.550 4.511 3.960 0.002 0.000 0.294 776 G HA3 0.550 4.511 3.960 0.002 0.000 0.294 776 G C -1.626 173.406 174.900 0.220 0.000 1.467 776 G CA -0.805 44.246 45.100 -0.082 0.000 0.852 776 G HN 0.017 nan 8.290 nan 0.000 0.521 777 F N -1.085 118.944 119.950 0.132 0.000 2.678 777 F HA 0.875 5.404 4.527 0.002 0.000 0.308 777 F C -1.153 174.699 175.800 0.087 0.000 1.118 777 F CA -1.212 56.863 58.000 0.125 0.000 0.959 777 F CB 1.911 41.075 39.000 0.273 0.000 1.305 777 F HN 0.410 nan 8.300 nan 0.000 0.443 778 E N 1.653 121.976 120.200 0.206 0.000 2.331 778 E HA 0.320 4.671 4.350 0.002 0.000 0.275 778 E C -1.818 174.852 176.600 0.117 0.000 0.895 778 E CA -0.913 55.546 56.400 0.098 0.000 0.753 778 E CB 3.089 32.799 29.700 0.017 0.000 1.216 778 E HN 0.769 nan 8.360 nan 0.000 0.434 779 K N 1.271 121.731 120.400 0.100 0.000 2.206 779 K HA 0.557 4.878 4.320 0.002 0.000 0.264 779 K C -1.240 175.370 176.600 0.018 0.000 0.967 779 K CA -0.682 55.634 56.287 0.047 0.000 0.844 779 K CB 1.635 34.185 32.500 0.084 0.000 1.099 779 K HN 0.245 nan 8.250 nan 0.000 0.441 780 V N 5.033 124.935 119.914 -0.020 0.000 2.577 780 V HA 0.290 4.411 4.120 0.002 0.000 0.303 780 V C -1.397 174.726 176.094 0.049 0.000 1.042 780 V CA -0.601 61.704 62.300 0.008 0.000 0.872 780 V CB 1.545 33.356 31.823 -0.019 0.000 0.998 780 V HN 0.939 nan 8.190 nan 0.000 0.423 781 H N 7.215 126.293 119.070 0.013 0.000 2.517 781 H HA 0.577 5.135 4.556 0.002 0.000 0.317 781 H C -1.575 173.809 175.328 0.093 0.000 1.080 781 H CA -0.450 55.631 56.048 0.055 0.000 1.301 781 H CB 1.500 31.291 29.762 0.049 0.000 1.425 781 H HN 0.605 nan 8.280 nan 0.000 0.471 782 L N 5.135 126.190 121.223 -0.281 0.000 2.406 782 L HA 0.205 4.546 4.340 0.002 0.000 0.272 782 L C 0.049 176.787 176.870 -0.221 0.000 0.980 782 L CA -0.900 53.868 54.840 -0.119 0.000 0.831 782 L CB 2.128 44.261 42.059 0.124 0.000 1.253 782 L HN 0.562 nan 8.230 nan 0.000 0.406 783 E N 2.930 123.039 120.200 -0.152 0.000 2.422 783 E HA 0.144 4.496 4.350 0.002 0.000 0.260 783 E C -2.289 174.274 176.600 -0.061 0.000 1.108 783 E CA -1.651 54.700 56.400 -0.080 0.000 0.943 783 E CB 0.120 29.808 29.700 -0.020 0.000 0.961 783 E HN 0.232 nan 8.360 nan 0.000 0.443 784 P HA -0.031 nan 4.420 nan 0.000 0.264 784 P C 0.786 178.054 177.300 -0.053 0.000 1.183 784 P CA 1.164 64.223 63.100 -0.068 0.000 0.763 784 P CB 0.324 31.986 31.700 -0.064 0.000 0.807 785 G N 1.644 110.409 108.800 -0.058 0.000 2.270 785 G HA2 -0.349 3.612 3.960 0.002 0.000 0.268 785 G HA3 -0.349 3.612 3.960 0.002 0.000 0.268 785 G C 0.382 175.272 174.900 -0.017 0.000 0.982 785 G CA 0.417 45.495 45.100 -0.036 0.000 0.628 785 G HN 0.637 nan 8.290 nan 0.000 0.544 786 E N 0.565 120.757 120.200 -0.013 0.000 2.418 786 E HA 0.466 4.817 4.350 0.002 0.000 0.261 786 E C 0.236 176.851 176.600 0.024 0.000 1.070 786 E CA 0.024 56.427 56.400 0.005 0.000 0.931 786 E CB 0.308 30.010 29.700 0.003 0.000 0.954 786 E HN 0.310 nan 8.360 nan 0.000 0.439 787 K N 2.634 123.051 120.400 0.027 0.000 2.464 787 K HA 0.396 4.717 4.320 0.002 0.000 0.253 787 K C -1.380 175.239 176.600 0.033 0.000 0.933 787 K CA -0.667 55.641 56.287 0.035 0.000 0.801 787 K CB 1.366 33.882 32.500 0.026 0.000 1.271 787 K HN 0.395 nan 8.250 nan 0.000 0.430 788 K N 0.896 121.317 120.400 0.036 0.000 2.536 788 K HA 0.354 4.676 4.320 0.002 0.000 0.269 788 K C -1.433 175.181 176.600 0.023 0.000 0.965 788 K CA -0.833 55.471 56.287 0.028 0.000 0.860 788 K CB 2.411 34.930 32.500 0.031 0.000 1.423 788 K HN 0.446 nan 8.250 nan 0.000 0.438 789 T N 1.546 116.111 114.554 0.018 0.000 2.770 789 T HA 0.356 4.707 4.350 0.002 0.000 0.283 789 T C -0.578 174.128 174.700 0.010 0.000 0.988 789 T CA -0.749 61.360 62.100 0.015 0.000 0.957 789 T CB 0.893 69.769 68.868 0.014 0.000 0.930 789 T HN 0.368 nan 8.240 nan 0.000 0.443 790 V N 1.964 121.883 119.914 0.009 0.000 2.547 790 V HA 0.680 4.802 4.120 0.002 0.000 0.299 790 V C -0.431 175.664 176.094 0.002 0.000 1.040 790 V CA -1.001 61.301 62.300 0.002 0.000 0.913 790 V CB 1.610 33.433 31.823 -0.000 0.000 0.992 790 V HN 0.700 nan 8.190 nan 0.000 0.449 791 N N 4.093 122.789 118.700 -0.008 0.000 2.408 791 N HA 0.628 5.369 4.740 0.002 0.000 0.280 791 N C -1.069 174.428 175.510 -0.021 0.000 1.002 791 N CA -0.151 52.892 53.050 -0.012 0.000 0.907 791 N CB 2.283 40.759 38.487 -0.019 0.000 1.161 791 N HN 0.731 nan 8.380 nan 0.000 0.488 792 I N 1.580 122.143 120.570 -0.012 0.000 2.389 792 I HA 0.226 4.397 4.170 0.002 0.000 0.288 792 I C -0.610 175.491 176.117 -0.027 0.000 0.999 792 I CA -0.549 60.739 61.300 -0.020 0.000 1.129 792 I CB 1.432 39.435 38.000 0.004 0.000 1.288 792 I HN 0.192 nan 8.210 nan 0.000 0.444 793 D N 7.023 127.392 120.400 -0.052 0.000 2.362 793 D HA 0.786 5.428 4.640 0.002 0.000 0.247 793 D C -1.185 175.067 176.300 -0.081 0.000 1.050 793 D CA -0.142 53.815 54.000 -0.071 0.000 0.839 793 D CB 2.075 42.829 40.800 -0.077 0.000 1.283 793 D HN 0.232 nan 8.370 nan 0.000 0.477 794 L N -0.819 120.344 121.223 -0.100 0.000 2.556 794 L HA 0.544 4.886 4.340 0.002 0.000 0.257 794 L C -0.488 176.282 176.870 -0.168 0.000 0.955 794 L CA -1.261 53.505 54.840 -0.123 0.000 0.850 794 L CB 1.077 43.062 42.059 -0.123 0.000 1.398 794 L HN 0.240 nan 8.230 nan 0.000 0.412 795 E N 1.631 121.720 120.200 -0.185 0.000 2.331 795 E HA 0.369 4.721 4.350 0.002 0.000 0.272 795 E C 0.316 176.749 176.600 -0.277 0.000 1.036 795 E CA -0.720 55.545 56.400 -0.225 0.000 0.864 795 E CB 1.716 31.274 29.700 -0.236 0.000 1.035 795 E HN 0.712 nan 8.360 nan 0.000 0.408 796 L N 2.452 123.510 121.223 -0.275 0.000 1.990 796 L HA -0.297 4.044 4.340 0.002 0.000 0.213 796 L C 2.675 179.368 176.870 -0.295 0.000 1.072 796 L CA 2.384 57.053 54.840 -0.285 0.000 0.755 796 L CB -0.513 41.415 42.059 -0.220 0.000 0.889 796 L HN 0.755 nan 8.230 nan 0.000 0.432 797 K N -0.677 119.524 120.400 -0.331 0.000 2.152 797 K HA -0.213 4.108 4.320 0.002 0.000 0.206 797 K C 1.106 177.521 176.600 -0.308 0.000 1.048 797 K CA 1.982 58.051 56.287 -0.363 0.000 0.933 797 K CB -0.393 31.620 32.500 -0.811 0.000 0.721 797 K HN 0.424 nan 8.250 nan 0.000 0.447 798 D N 0.477 120.660 120.400 -0.362 0.000 2.349 798 D HA 0.037 4.678 4.640 0.002 0.000 0.215 798 D C 1.516 177.673 176.300 -0.237 0.000 1.016 798 D CA 0.772 54.613 54.000 -0.265 0.000 0.870 798 D CB 0.547 41.201 40.800 -0.242 0.000 0.917 798 D HN 0.475 nan 8.370 nan 0.000 0.524 799 A N 1.046 123.651 122.820 -0.359 0.000 1.997 799 A HA 0.100 4.421 4.320 0.002 0.000 0.212 799 A C 1.901 179.203 177.584 -0.470 0.000 1.178 799 A CA 0.215 51.892 52.037 -0.599 0.000 0.698 799 A CB -0.066 18.262 19.000 -1.120 0.000 0.842 799 A HN 0.294 nan 8.150 nan 0.000 0.458 800 I N -4.043 116.361 120.570 -0.278 0.000 4.102 800 I HA 0.338 4.510 4.170 0.002 0.000 0.325 800 I C -0.261 175.921 176.117 0.108 0.000 1.471 800 I CA -0.353 60.879 61.300 -0.113 0.000 1.133 800 I CB 0.679 38.411 38.000 -0.447 0.000 1.184 800 I HN -0.115 nan 8.210 nan 0.000 0.451 801 S N 1.831 117.639 115.700 0.181 0.000 2.585 801 S HA 0.415 4.886 4.470 0.002 0.000 0.273 801 S C -0.489 174.412 174.600 0.501 0.000 1.339 801 S CA -0.168 58.251 58.200 0.365 0.000 1.028 801 S CB 0.425 63.959 63.200 0.556 0.000 0.906 801 S HN 0.501 nan 8.310 nan 0.000 0.528 802 Y N -0.334 120.200 120.300 0.391 0.000 2.630 802 Y HA 0.756 5.307 4.550 0.002 0.000 0.337 802 Y C -0.900 175.190 175.900 0.315 0.000 1.051 802 Y CA -1.807 56.518 58.100 0.376 0.000 1.121 802 Y CB 0.589 39.178 38.460 0.215 0.000 1.299 802 Y HN 0.467 nan 8.280 nan 0.000 0.498 803 F N 3.446 123.288 119.950 -0.181 0.000 2.404 803 F HA 0.321 4.850 4.527 0.003 0.000 0.358 803 F C -0.017 175.605 175.800 -0.296 0.000 1.120 803 F CA -0.490 57.111 58.000 -0.665 0.000 1.144 803 F CB 0.497 38.840 39.000 -1.095 0.000 1.133 803 F HN 0.674 nan 8.300 nan 0.000 0.495 804 N N 5.655 123.778 118.700 -0.962 0.000 2.469 804 N HA -0.009 4.733 4.740 0.002 0.000 0.239 804 N C 0.946 176.145 175.510 -0.518 0.000 1.053 804 N CA 0.164 52.976 53.050 -0.396 0.000 0.937 804 N CB 0.639 38.963 38.487 -0.273 0.000 1.163 804 N HN 0.951 nan 8.380 nan 0.000 0.509 805 E N 2.636 122.785 120.200 -0.086 0.000 2.153 805 E HA -0.216 4.135 4.350 0.002 0.000 0.194 805 E C 1.108 177.701 176.600 -0.013 0.000 0.988 805 E CA 1.084 57.536 56.400 0.087 0.000 0.811 805 E CB 0.166 29.954 29.700 0.146 0.000 0.746 805 E HN 0.736 nan 8.360 nan 0.000 0.466 806 E N 0.170 120.346 120.200 -0.039 0.000 2.072 806 E HA -0.143 4.208 4.350 0.002 0.000 0.191 806 E C 1.995 178.529 176.600 -0.109 0.000 0.985 806 E CA 0.914 57.284 56.400 -0.050 0.000 0.801 806 E CB 0.045 29.729 29.700 -0.027 0.000 0.750 806 E HN 0.356 nan 8.360 nan 0.000 0.452 807 L N -0.777 120.331 121.223 -0.192 0.000 2.509 807 L HA 0.228 4.570 4.340 0.002 0.000 0.222 807 L C 1.415 178.123 176.870 -0.270 0.000 1.123 807 L CA 0.384 55.070 54.840 -0.257 0.000 0.856 807 L CB 0.237 42.066 42.059 -0.383 0.000 0.985 807 L HN 0.397 nan 8.230 nan 0.000 0.456 808 G N 0.961 109.577 108.800 -0.307 0.000 2.147 808 G HA2 -0.270 3.692 3.960 0.002 0.000 0.244 808 G HA3 -0.270 3.692 3.960 0.002 0.000 0.244 808 G C 0.040 174.712 174.900 -0.379 0.000 1.005 808 G CA 0.235 45.220 45.100 -0.193 0.000 0.713 808 G HN 0.409 nan 8.290 nan 0.000 0.515 809 K N -1.606 118.295 120.400 -0.832 0.000 2.508 809 K HA 0.487 4.809 4.320 0.002 0.000 0.260 809 K C -0.468 175.519 176.600 -1.021 0.000 0.949 809 K CA -1.142 54.748 56.287 -0.663 0.000 0.834 809 K CB 1.487 33.819 32.500 -0.279 0.000 1.365 809 K HN 0.101 nan 8.250 nan 0.000 0.437 810 W N 1.667 122.466 121.300 -0.835 0.000 2.158 810 W HA 0.118 4.779 4.660 0.002 0.000 0.339 810 W C 0.582 176.739 176.519 -0.605 0.000 1.294 810 W CA 0.517 57.297 57.345 -0.941 0.000 1.231 810 W CB 0.365 28.704 29.460 -1.868 0.000 1.143 810 W HN 0.423 nan 8.180 nan 0.000 0.571 811 H N 1.371 120.213 119.070 -0.379 0.000 3.013 811 H HA 0.329 4.886 4.556 0.002 0.000 0.326 811 H C -1.230 174.046 175.328 -0.088 0.000 0.973 811 H CA -0.790 55.040 56.048 -0.363 0.000 1.369 811 H CB 1.115 30.511 29.762 -0.611 0.000 1.598 811 H HN 0.149 nan 8.280 nan 0.000 0.518 812 V N 5.673 125.622 119.914 0.058 0.000 2.381 812 V HA 0.003 4.125 4.120 0.002 0.000 0.257 812 V C 0.584 176.501 176.094 -0.296 0.000 1.057 812 V CA 0.181 62.464 62.300 -0.029 0.000 1.013 812 V CB 0.537 32.386 31.823 0.042 0.000 1.069 812 V HN 0.731 nan 8.190 nan 0.000 0.484 813 E N 3.741 123.761 120.200 -0.300 0.000 2.283 813 E HA 0.558 4.909 4.350 0.002 0.000 0.278 813 E C 0.352 176.987 176.600 0.058 0.000 1.027 813 E CA -0.613 55.588 56.400 -0.331 0.000 0.843 813 E CB 1.258 30.885 29.700 -0.122 0.000 1.062 813 E HN 0.809 nan 8.360 nan 0.000 0.401 814 A N 3.076 125.930 122.820 0.056 0.000 2.531 814 A HA 0.489 4.811 4.320 0.002 0.000 0.236 814 A C 0.636 178.279 177.584 0.099 0.000 1.062 814 A CA 0.893 52.998 52.037 0.113 0.000 0.760 814 A CB -0.001 19.052 19.000 0.089 0.000 0.995 814 A HN 0.834 nan 8.150 nan 0.000 0.501 815 G N 0.643 109.511 108.800 0.114 0.000 2.339 815 G HA2 0.382 4.343 3.960 0.002 0.000 0.275 815 G HA3 0.382 4.343 3.960 0.002 0.000 0.275 815 G C -1.077 173.779 174.900 -0.074 0.000 1.323 815 G CA -0.117 44.963 45.100 -0.032 0.000 0.927 815 G HN 1.006 nan 8.290 nan 0.000 0.486 816 E N -0.790 119.244 120.200 -0.277 0.000 2.191 816 E HA 0.744 5.095 4.350 0.002 0.000 0.274 816 E C -1.519 174.724 176.600 -0.595 0.000 0.948 816 E CA -0.567 55.668 56.400 -0.276 0.000 0.802 816 E CB 1.157 30.759 29.700 -0.164 0.000 1.137 816 E HN 0.460 nan 8.360 nan 0.000 0.397 817 Y N 2.273 122.327 120.300 -0.410 0.000 2.545 817 Y HA 0.530 5.082 4.550 0.002 0.000 0.348 817 Y C -1.011 174.666 175.900 -0.371 0.000 1.002 817 Y CA -1.139 56.699 58.100 -0.437 0.000 1.039 817 Y CB 1.709 39.710 38.460 -0.765 0.000 1.271 817 Y HN 0.441 nan 8.280 nan 0.000 0.467 818 L N 2.947 124.173 121.223 0.004 0.000 2.341 818 L HA 0.770 5.111 4.340 0.002 0.000 0.278 818 L C -1.260 175.613 176.870 0.005 0.000 1.005 818 L CA -0.796 54.041 54.840 -0.004 0.000 0.818 818 L CB 1.713 43.764 42.059 -0.013 0.000 1.259 818 L HN 0.492 nan 8.230 nan 0.000 0.418 819 V N 4.252 124.104 119.914 -0.103 0.000 2.435 819 V HA 0.724 4.845 4.120 0.002 0.000 0.290 819 V C -0.499 175.472 176.094 -0.205 0.000 1.030 819 V CA 0.066 62.171 62.300 -0.324 0.000 0.881 819 V CB 1.761 33.249 31.823 -0.559 0.000 0.983 819 V HN 0.886 nan 8.190 nan 0.000 0.445 820 S N 5.253 120.880 115.700 -0.122 0.000 2.478 820 S HA 0.725 5.196 4.470 0.002 0.000 0.312 820 S C -0.655 173.984 174.600 0.065 0.000 1.094 820 S CA -0.515 57.680 58.200 -0.008 0.000 1.081 820 S CB 1.602 64.830 63.200 0.046 0.000 1.007 820 S HN 0.775 nan 8.310 nan 0.000 0.475 821 V N 2.729 122.663 119.914 0.033 0.000 2.495 821 V HA 0.935 5.056 4.120 0.002 0.000 0.298 821 V C 0.598 176.734 176.094 0.069 0.000 1.031 821 V CA -0.214 62.122 62.300 0.060 0.000 0.871 821 V CB 1.377 33.205 31.823 0.008 0.000 0.988 821 V HN 1.027 nan 8.190 nan 0.000 0.432 822 G N 2.330 111.194 108.800 0.106 0.000 2.634 822 G HA2 0.533 4.494 3.960 0.002 0.000 0.309 822 G HA3 0.533 4.494 3.960 0.002 0.000 0.309 822 G C 0.096 175.018 174.900 0.036 0.000 1.299 822 G CA 0.364 45.503 45.100 0.065 0.000 0.798 822 G HN 0.671 nan 8.290 nan 0.000 0.490 823 T N -2.779 111.769 114.554 -0.009 0.000 3.084 823 T HA 0.539 4.890 4.350 0.002 0.000 0.270 823 T C 0.666 175.292 174.700 -0.123 0.000 1.008 823 T CA 0.897 62.939 62.100 -0.097 0.000 0.900 823 T CB -0.246 68.552 68.868 -0.117 0.000 1.084 823 T HN 1.791 nan 8.240 nan 0.000 0.538 824 S N 0.193 115.879 115.700 -0.023 0.000 2.655 824 S HA 0.440 4.912 4.470 0.002 0.000 0.266 824 S C 0.881 175.515 174.600 0.058 0.000 1.149 824 S CA 0.065 58.263 58.200 -0.003 0.000 0.818 824 S CB 0.880 64.125 63.200 0.075 0.000 1.130 824 S HN 0.291 nan 8.310 nan 0.000 0.476 825 S N -0.358 115.375 115.700 0.054 0.000 2.453 825 S HA 0.018 4.489 4.470 0.002 0.000 0.231 825 S C 0.740 175.243 174.600 -0.161 0.000 1.005 825 S CA 1.541 59.629 58.200 -0.187 0.000 0.949 825 S CB -0.597 62.548 63.200 -0.092 0.000 0.774 825 S HN 0.776 nan 8.310 nan 0.000 0.510 826 D N 1.058 121.449 120.400 -0.015 0.000 2.462 826 D HA 0.181 4.822 4.640 0.002 0.000 0.221 826 D C -0.762 175.552 176.300 0.023 0.000 1.173 826 D CA -0.143 53.862 54.000 0.007 0.000 0.831 826 D CB 0.080 40.902 40.800 0.038 0.000 1.001 826 D HN 0.180 nan 8.370 nan 0.000 0.499 827 D N 1.151 121.559 120.400 0.014 0.000 2.849 827 D HA 0.106 4.748 4.640 0.002 0.000 0.314 827 D C -0.254 176.052 176.300 0.010 0.000 1.210 827 D CA -0.387 53.630 54.000 0.028 0.000 0.756 827 D CB 0.775 41.607 40.800 0.053 0.000 1.222 827 D HN 0.112 nan 8.370 nan 0.000 0.521 828 I N 1.455 122.021 120.570 -0.008 0.000 2.441 828 I HA 0.172 4.344 4.170 0.002 0.000 0.287 828 I C 1.485 177.604 176.117 0.002 0.000 1.049 828 I CA -0.100 61.197 61.300 -0.005 0.000 1.381 828 I CB 1.553 39.536 38.000 -0.027 0.000 1.409 828 I HN 0.214 nan 8.210 nan 0.000 0.523 829 L N 3.841 125.068 121.223 0.006 0.000 2.781 829 L HA 0.225 4.566 4.340 0.002 0.000 0.245 829 L C 0.402 177.270 176.870 -0.003 0.000 1.118 829 L CA 0.319 55.162 54.840 0.005 0.000 0.918 829 L CB 0.590 42.656 42.059 0.012 0.000 1.246 829 L HN 0.657 nan 8.230 nan 0.000 0.526 830 S N -0.005 115.688 115.700 -0.013 0.000 2.560 830 S HA 0.534 5.005 4.470 0.002 0.000 0.283 830 S C -1.163 173.404 174.600 -0.054 0.000 1.141 830 S CA -0.586 57.597 58.200 -0.029 0.000 0.902 830 S CB 1.505 64.690 63.200 -0.024 0.000 1.104 830 S HN -0.026 nan 8.310 nan 0.000 0.454 831 V N 1.690 121.558 119.914 -0.075 0.000 3.040 831 V HA 0.929 5.050 4.120 0.002 0.000 0.312 831 V C -1.151 174.840 176.094 -0.171 0.000 1.115 831 V CA -0.730 61.504 62.300 -0.111 0.000 0.998 831 V CB 2.144 33.922 31.823 -0.075 0.000 1.042 831 V HN 0.782 nan 8.190 nan 0.000 0.433 832 K N 1.719 121.961 120.400 -0.263 0.000 2.508 832 K HA 0.529 4.851 4.320 0.002 0.000 0.260 832 K C -1.321 175.151 176.600 -0.212 0.000 0.949 832 K CA -0.272 55.799 56.287 -0.359 0.000 0.834 832 K CB 2.557 34.552 32.500 -0.843 0.000 1.365 832 K HN 1.134 nan 8.250 nan 0.000 0.437 833 E N 2.692 122.857 120.200 -0.059 0.000 2.244 833 E HA 0.576 4.928 4.350 0.002 0.000 0.266 833 E C -1.020 175.777 176.600 0.329 0.000 0.914 833 E CA -0.590 55.850 56.400 0.067 0.000 0.794 833 E CB 1.433 31.141 29.700 0.015 0.000 1.210 833 E HN 0.395 nan 8.360 nan 0.000 0.414 834 F N -0.912 119.177 119.950 0.231 0.000 2.686 834 F HA 0.660 5.189 4.527 0.002 0.000 0.311 834 F C -1.162 174.785 175.800 0.246 0.000 1.128 834 F CA -1.160 57.002 58.000 0.270 0.000 0.946 834 F CB 1.792 41.011 39.000 0.365 0.000 1.336 834 F HN 0.369 nan 8.300 nan 0.000 0.457 835 K N 1.881 122.497 120.400 0.361 0.000 2.270 835 K HA 0.719 5.041 4.320 0.002 0.000 0.255 835 K C -1.893 174.896 176.600 0.315 0.000 0.936 835 K CA -0.870 55.551 56.287 0.224 0.000 0.809 835 K CB 2.347 34.936 32.500 0.148 0.000 1.131 835 K HN 0.703 nan 8.250 nan 0.000 0.427 836 V N 4.693 124.784 119.914 0.296 0.000 2.370 836 V HA 0.130 4.252 4.120 0.002 0.000 0.283 836 V C 0.648 176.842 176.094 0.168 0.000 1.023 836 V CA -0.326 62.128 62.300 0.257 0.000 0.857 836 V CB 1.312 33.297 31.823 0.269 0.000 0.985 836 V HN 0.903 nan 8.190 nan 0.000 0.443 837 E N 3.244 123.520 120.200 0.126 0.000 2.060 837 E HA 0.001 4.352 4.350 0.002 0.000 0.189 837 E C 0.783 177.434 176.600 0.084 0.000 0.974 837 E CA 0.478 56.934 56.400 0.094 0.000 0.808 837 E CB 0.492 30.238 29.700 0.076 0.000 0.768 837 E HN 0.510 nan 8.360 nan 0.000 0.453 838 K N 2.133 122.579 120.400 0.078 0.000 2.274 838 K HA 0.093 4.414 4.320 0.002 0.000 0.262 838 K C -0.664 175.976 176.600 0.066 0.000 0.961 838 K CA -0.431 55.898 56.287 0.070 0.000 0.833 838 K CB 1.248 33.784 32.500 0.060 0.000 1.102 838 K HN 0.001 nan 8.250 nan 0.000 0.436 839 E N 4.020 124.263 120.200 0.071 0.000 2.390 839 E HA 0.172 4.524 4.350 0.002 0.000 0.261 839 E C -1.060 175.560 176.600 0.033 0.000 1.076 839 E CA -0.640 55.786 56.400 0.042 0.000 0.905 839 E CB 0.944 30.698 29.700 0.090 0.000 0.984 839 E HN 0.381 nan 8.360 nan 0.000 0.427 840 L N 2.650 123.875 121.223 0.003 0.000 2.431 840 L HA 0.446 4.787 4.340 0.002 0.000 0.266 840 L C -1.981 174.942 176.870 0.088 0.000 0.978 840 L CA -0.648 54.240 54.840 0.081 0.000 0.822 840 L CB 1.606 43.735 42.059 0.117 0.000 1.310 840 L HN 0.586 nan 8.230 nan 0.000 0.409 841 Y N 4.211 124.680 120.300 0.282 0.000 2.409 841 Y HA 0.757 5.309 4.550 0.002 0.000 0.339 841 Y C -0.624 175.468 175.900 0.319 0.000 1.033 841 Y CA -0.162 58.061 58.100 0.206 0.000 1.094 841 Y CB 1.634 40.104 38.460 0.018 0.000 1.210 841 Y HN 0.659 nan 8.280 nan 0.000 0.456 842 W N 1.392 122.856 121.300 0.273 0.000 3.137 842 W HA 0.714 5.375 4.660 0.002 0.000 0.324 842 W C -2.200 174.516 176.519 0.329 0.000 1.253 842 W CA -1.208 56.272 57.345 0.225 0.000 1.183 842 W CB 1.396 30.939 29.460 0.137 0.000 1.424 842 W HN 0.438 nan 8.180 nan 0.000 0.566 843 K N 0.750 121.458 120.400 0.513 0.000 2.433 843 K HA 0.676 4.998 4.320 0.002 0.000 0.252 843 K C 0.211 177.162 176.600 0.584 0.000 1.015 843 K CA -0.132 56.440 56.287 0.475 0.000 0.860 843 K CB 2.440 35.131 32.500 0.318 0.000 1.359 843 K HN 0.947 nan 8.250 nan 0.000 0.452 844 G N 0.374 109.527 108.800 0.588 0.000 2.481 844 G HA2 -0.191 3.770 3.960 0.002 0.000 0.230 844 G HA3 -0.191 3.770 3.960 0.002 0.000 0.230 844 G C -1.279 173.853 174.900 0.387 0.000 1.210 844 G CA -0.621 44.791 45.100 0.520 0.000 0.936 844 G HN 0.284 nan 8.290 nan 0.000 0.583 845 L N 0.000 121.320 121.223 0.161 0.000 2.949 845 L HA 0.000 4.341 4.340 0.002 0.000 0.249 845 L CA 0.000 54.789 54.840 -0.084 0.000 0.813 845 L CB 0.000 41.974 42.059 -0.141 0.000 0.961 845 L HN 0.000 nan 8.230 nan 0.000 0.502