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 2w3s_1_B DATA FIRST_RESID 2 DATA SEQUENCE SVGKPLPHDS ARAHVTGQAR YLDDLPCPAN TLHLAFGLST EASAAITGLD DATA SEQUENCE LEPVRESPGV IAVFTAADLP HDNDASPAPS PEPVLATGEV HFVGQPIFLV DATA SEQUENCE AATSHRAARI AARKARITYA PRPAILTLDQ ALAADSRFEG GPVIWARGDV DATA SEQUENCE ETALAGAAHL AEGCFEIGGQ EHFYLEGQAA LALPAEGGVV IHCSSQHPSE DATA SEQUENCE IQHKVAHALG LAFHDVRVEM RRMGGGFGGK ESQGNHLAIA CAVAARATGR DATA SEQUENCE PCKMRYDRDD DMVITGKRHD FRIRYRIGAD ASGKLLGADF VHLARCGWSA DATA SEQUENCE DLSLPVCDRA MLHADGSYFV PALRIESHRL RTNTQSNTAF RGFGGPQGAL DATA SEQUENCE GMERAIEHLA RGMGRDPAEL RALNFYDPPE XXXXXXXXXX XXXXXXKKTQ DATA SEQUENCE TTHYGQEVAD CVLGELVTRL QKSANFTTRR AEIAAWNSTN RTLARGIALS DATA SEQUENCE PVKFGISFTL THLNQAGALV QIYTDGSVAL NHGGTEMGQG LHAKMVQVAA DATA SEQUENCE AVLGIDPVQV RITATDTSKV PNTSATAASS GADMNGMAVK DACETLRGRL DATA SEQUENCE AGFVAAREGC AARDVIFDAG QVQASGKSWR FAEIVAAAYM ARISLSATGF DATA SEQUENCE YATPKLSWDR LRGQGRPFLY FAYGAAITEV VIDRLTGENR ILRTDILHDA DATA SEQUENCE GASLNPALDI GQIEGAYVQG AGWLTTEELV WDHCGRLMTH APSTYKIPAF DATA SEQUENCE SDRPRIFNVA LWDQPNREET IFRSKAVGEP PFLLGISAFL ALHDACAACG DATA SEQUENCE PHWPDLQAPA TPEAVLAAVR RAEGRA 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 0.000 174.492 174.600 -0.179 0.000 1.055 2 S CA 0.000 58.110 58.200 -0.151 0.000 1.107 2 S CB 0.000 63.132 63.200 -0.113 0.000 0.593 3 V N 2.216 121.961 119.914 -0.281 0.000 2.694 3 V HA 0.376 4.529 4.120 0.055 0.000 0.306 3 V C 1.647 177.606 176.094 -0.224 0.000 1.054 3 V CA 1.886 63.997 62.300 -0.315 0.000 1.161 3 V CB 0.374 31.806 31.823 -0.651 0.000 0.916 3 V HN 0.804 nan 8.190 nan 0.000 0.490 4 G N 3.876 112.587 108.800 -0.149 0.000 2.232 4 G HA2 -0.207 3.786 3.960 0.055 0.000 0.226 4 G HA3 -0.207 3.786 3.960 0.055 0.000 0.226 4 G C 0.235 175.090 174.900 -0.075 0.000 0.996 4 G CA 0.066 45.106 45.100 -0.101 0.000 0.626 4 G HN 0.607 nan 8.290 nan 0.000 0.509 5 K N 1.700 122.053 120.400 -0.079 0.000 2.174 5 K HA 0.439 4.792 4.320 0.055 0.000 0.275 5 K C -2.092 174.482 176.600 -0.043 0.000 1.015 5 K CA -1.472 54.781 56.287 -0.058 0.000 0.933 5 K CB 1.637 34.100 32.500 -0.061 0.000 1.025 5 K HN -0.007 nan 8.250 nan 0.000 0.463 6 P HA 0.048 nan 4.420 nan 0.000 0.228 6 P C -0.619 176.673 177.300 -0.014 0.000 1.748 6 P CA 0.101 63.189 63.100 -0.019 0.000 0.909 6 P CB -0.116 31.574 31.700 -0.015 0.000 1.882 7 L N 2.195 123.406 121.223 -0.021 0.000 2.426 7 L HA 0.245 4.618 4.340 0.055 0.000 0.271 7 L C -1.347 175.523 176.870 0.000 0.000 1.169 7 L CA -1.956 52.874 54.840 -0.016 0.000 0.836 7 L CB -0.182 41.859 42.059 -0.030 0.000 1.112 7 L HN 0.020 nan 8.230 nan 0.000 0.465 8 P HA -0.046 nan 4.420 nan 0.000 0.274 8 P C -0.524 176.812 177.300 0.060 0.000 1.260 8 P CA -0.293 62.834 63.100 0.045 0.000 0.793 8 P CB 0.353 32.076 31.700 0.038 0.000 1.048 9 H N 1.502 120.570 119.070 -0.003 0.000 2.897 9 H HA -0.065 4.523 4.556 0.053 0.000 0.347 9 H C 1.413 176.717 175.328 -0.040 0.000 1.068 9 H CA 0.739 56.787 56.048 -0.001 0.000 1.426 9 H CB 0.562 30.336 29.762 0.020 0.000 1.410 9 H HN 0.551 nan 8.280 nan 0.000 0.597 10 D N 2.195 122.468 120.400 -0.211 0.000 2.203 10 D HA -0.164 4.508 4.640 0.055 0.000 0.199 10 D C 0.447 176.750 176.300 0.005 0.000 0.997 10 D CA 1.345 55.294 54.000 -0.084 0.000 0.863 10 D CB 0.108 40.848 40.800 -0.100 0.000 0.928 10 D HN 0.264 nan 8.370 nan 0.000 0.458 11 S N -0.555 115.230 115.700 0.142 0.000 2.650 11 S HA 0.478 4.980 4.470 0.055 0.000 0.240 11 S C 1.593 175.896 174.600 -0.496 0.000 1.007 11 S CA 0.039 58.144 58.200 -0.159 0.000 0.984 11 S CB 0.927 64.019 63.200 -0.181 0.000 0.910 11 S HN 0.498 nan 8.310 nan 0.000 0.509 12 A N 2.808 125.482 122.820 -0.244 0.000 1.909 12 A HA -0.268 4.085 4.320 0.055 0.000 0.221 12 A C 2.058 179.578 177.584 -0.107 0.000 1.223 12 A CA 2.084 54.014 52.037 -0.178 0.000 0.658 12 A CB -0.574 18.422 19.000 -0.007 0.000 0.831 12 A HN 0.485 nan 8.150 nan 0.000 0.462 13 R N -0.792 119.670 120.500 -0.065 0.000 2.075 13 R HA -0.039 4.334 4.340 0.055 0.000 0.232 13 R C 2.417 178.716 176.300 -0.002 0.000 1.126 13 R CA 1.351 57.441 56.100 -0.017 0.000 0.963 13 R CB -0.450 29.844 30.300 -0.011 0.000 0.858 13 R HN 0.480 nan 8.270 nan 0.000 0.435 14 A N 0.532 123.331 122.820 -0.035 0.000 1.917 14 A HA -0.233 4.120 4.320 0.055 0.000 0.219 14 A C 1.801 179.458 177.584 0.122 0.000 1.182 14 A CA 1.799 53.844 52.037 0.014 0.000 0.633 14 A CB -0.949 18.044 19.000 -0.012 0.000 0.819 14 A HN 0.588 nan 8.150 nan 0.000 0.448 15 H N -1.784 117.314 119.070 0.047 0.000 2.256 15 H HA -0.100 4.487 4.556 0.052 0.000 0.299 15 H C 2.140 177.500 175.328 0.054 0.000 1.071 15 H CA 1.079 57.164 56.048 0.060 0.000 1.280 15 H CB -0.215 29.562 29.762 0.025 0.000 1.370 15 H HN 0.263 nan 8.280 nan 0.000 0.490 16 V N 1.136 121.159 119.914 0.183 0.000 2.568 16 V HA -0.228 3.925 4.120 0.055 0.000 0.253 16 V C 2.406 178.548 176.094 0.081 0.000 1.072 16 V CA 2.296 64.661 62.300 0.109 0.000 1.084 16 V CB -0.455 31.415 31.823 0.077 0.000 0.676 16 V HN 0.719 nan 8.190 nan 0.000 0.469 17 T N -3.808 110.793 114.554 0.078 0.000 3.057 17 T HA 0.279 4.662 4.350 0.055 0.000 0.254 17 T C 1.464 176.204 174.700 0.066 0.000 1.094 17 T CA 0.782 62.917 62.100 0.058 0.000 1.088 17 T CB 0.614 69.507 68.868 0.041 0.000 0.934 17 T HN 1.013 nan 8.240 nan 0.000 0.497 18 G N 1.440 110.296 108.800 0.094 0.000 2.149 18 G HA2 -0.256 3.737 3.960 0.055 0.000 0.235 18 G HA3 -0.256 3.737 3.960 0.055 0.000 0.235 18 G C 0.464 175.417 174.900 0.088 0.000 1.018 18 G CA 0.354 45.513 45.100 0.099 0.000 0.728 18 G HN 0.574 nan 8.290 nan 0.000 0.508 19 Q N -0.636 119.212 119.800 0.079 0.000 2.352 19 Q HA 0.504 4.877 4.340 0.055 0.000 0.212 19 Q C 1.555 177.577 176.000 0.036 0.000 0.888 19 Q CA 0.440 56.272 55.803 0.048 0.000 0.934 19 Q CB 0.720 29.475 28.738 0.029 0.000 1.093 19 Q HN 0.867 nan 8.270 nan 0.000 0.523 20 A N 1.895 124.758 122.820 0.072 0.000 2.484 20 A HA 0.178 4.530 4.320 0.055 0.000 0.268 20 A C -0.353 177.163 177.584 -0.113 0.000 1.114 20 A CA -0.019 52.017 52.037 -0.000 0.000 0.780 20 A CB 0.009 19.098 19.000 0.148 0.000 1.061 20 A HN 0.192 nan 8.150 nan 0.000 0.505 21 R N 1.757 122.139 120.500 -0.198 0.000 2.357 21 R HA 0.480 4.853 4.340 0.055 0.000 0.296 21 R C -1.090 174.930 176.300 -0.466 0.000 1.052 21 R CA -0.012 55.978 56.100 -0.183 0.000 0.988 21 R CB 0.622 30.857 30.300 -0.108 0.000 1.025 21 R HN 0.737 nan 8.270 nan 0.000 0.469 22 Y N 0.615 120.907 120.300 -0.014 0.000 2.618 22 Y HA 0.181 4.766 4.550 0.058 0.000 0.326 22 Y C 1.411 177.284 175.900 -0.046 0.000 1.168 22 Y CA -0.951 57.132 58.100 -0.028 0.000 1.269 22 Y CB 0.464 38.904 38.460 -0.035 0.000 1.388 22 Y HN 0.409 nan 8.280 nan 0.000 0.528 23 L N 0.572 121.861 121.223 0.110 0.000 2.013 23 L HA -0.248 4.125 4.340 0.055 0.000 0.212 23 L C 1.588 178.459 176.870 0.001 0.000 1.073 23 L CA 2.252 57.103 54.840 0.018 0.000 0.753 23 L CB -0.259 41.801 42.059 0.002 0.000 0.890 23 L HN 0.806 nan 8.230 nan 0.000 0.432 24 D N -0.905 119.506 120.400 0.018 0.000 2.371 24 D HA -0.154 4.519 4.640 0.055 0.000 0.221 24 D C 1.417 177.723 176.300 0.009 0.000 0.986 24 D CA 0.803 54.800 54.000 -0.005 0.000 0.899 24 D CB 0.027 40.808 40.800 -0.032 0.000 0.902 24 D HN 0.478 nan 8.370 nan 0.000 0.530 25 D N -0.455 119.964 120.400 0.031 0.000 2.271 25 D HA -0.000 4.673 4.640 0.055 0.000 0.206 25 D C 0.663 176.953 176.300 -0.017 0.000 0.967 25 D CA 0.041 54.055 54.000 0.022 0.000 0.867 25 D CB 0.050 40.886 40.800 0.059 0.000 0.960 25 D HN 0.287 nan 8.370 nan 0.000 0.509 26 L N 2.673 123.865 121.223 -0.052 0.000 2.578 26 L HA 0.063 4.435 4.340 0.055 0.000 0.279 26 L C -1.796 175.028 176.870 -0.076 0.000 1.227 26 L CA -1.210 53.571 54.840 -0.099 0.000 0.900 26 L CB -0.503 41.441 42.059 -0.191 0.000 1.144 26 L HN -0.203 nan 8.230 nan 0.000 0.496 27 P HA 0.089 nan 4.420 nan 0.000 0.270 27 P C -0.882 176.386 177.300 -0.053 0.000 1.221 27 P CA -0.369 62.704 63.100 -0.045 0.000 0.788 27 P CB 0.493 32.168 31.700 -0.041 0.000 0.904 28 C N -1.560 117.723 119.300 -0.029 0.000 3.275 28 C HA 0.476 4.968 4.460 0.055 0.000 0.345 28 C C -2.935 172.049 174.990 -0.009 0.000 1.257 28 C CA -1.872 57.130 59.018 -0.028 0.000 1.203 28 C CB -0.209 27.507 27.740 -0.040 0.000 1.492 28 C HN 0.379 nan 8.230 nan 0.000 0.484 29 P HA 0.342 nan 4.420 nan 0.000 0.264 29 P C 0.979 178.286 177.300 0.011 0.000 1.193 29 P CA 0.818 63.919 63.100 0.001 0.000 0.763 29 P CB 0.480 32.179 31.700 -0.001 0.000 0.810 30 A N 4.112 126.943 122.820 0.019 0.000 1.985 30 A HA -0.292 4.061 4.320 0.055 0.000 0.223 30 A C 1.750 179.356 177.584 0.036 0.000 1.189 30 A CA 2.244 54.300 52.037 0.031 0.000 0.658 30 A CB -1.184 17.831 19.000 0.026 0.000 0.820 30 A HN 0.759 nan 8.150 nan 0.000 0.464 31 N N 0.041 118.755 118.700 0.023 0.000 2.515 31 N HA -0.023 4.750 4.740 0.055 0.000 0.191 31 N C -0.232 175.285 175.510 0.011 0.000 1.182 31 N CA 0.954 54.018 53.050 0.023 0.000 0.879 31 N CB -1.216 37.282 38.487 0.018 0.000 0.984 31 N HN 0.268 nan 8.380 nan 0.000 0.453 32 T N 1.972 116.523 114.554 -0.005 0.000 2.902 32 T HA 0.149 4.531 4.350 0.055 0.000 0.301 32 T C 0.664 175.288 174.700 -0.127 0.000 1.012 32 T CA -0.147 61.905 62.100 -0.080 0.000 1.151 32 T CB 0.708 69.507 68.868 -0.115 0.000 0.946 32 T HN 0.122 nan 8.240 nan 0.000 0.542 33 L N 3.132 124.259 121.223 -0.161 0.000 2.448 33 L HA 0.504 4.876 4.340 0.055 0.000 0.258 33 L C 0.624 177.251 176.870 -0.406 0.000 1.104 33 L CA -1.023 53.746 54.840 -0.119 0.000 0.800 33 L CB 0.559 42.617 42.059 -0.002 0.000 1.241 33 L HN 0.611 nan 8.230 nan 0.000 0.472 34 H N 1.283 120.383 119.070 0.050 0.000 2.717 34 H HA 0.541 5.132 4.556 0.057 0.000 0.366 34 H C -1.116 174.241 175.328 0.047 0.000 1.132 34 H CA -0.616 55.467 56.048 0.059 0.000 1.180 34 H CB 2.404 32.226 29.762 0.099 0.000 1.678 34 H HN 0.276 nan 8.280 nan 0.000 0.537 35 L N 1.722 123.014 121.223 0.114 0.000 2.362 35 L HA 0.736 5.109 4.340 0.055 0.000 0.275 35 L C -0.164 176.690 176.870 -0.027 0.000 0.998 35 L CA -0.951 53.892 54.840 0.005 0.000 0.820 35 L CB 1.936 43.927 42.059 -0.114 0.000 1.270 35 L HN 0.571 nan 8.230 nan 0.000 0.415 36 A N 2.717 125.500 122.820 -0.062 0.000 2.414 36 A HA 0.776 5.129 4.320 0.055 0.000 0.306 36 A C -1.236 176.279 177.584 -0.114 0.000 1.054 36 A CA -0.421 51.570 52.037 -0.077 0.000 0.724 36 A CB 1.161 20.139 19.000 -0.037 0.000 1.267 36 A HN 0.556 nan 8.150 nan 0.000 0.418 37 F N 1.089 121.032 119.950 -0.011 0.000 2.384 37 F HA 0.484 5.045 4.527 0.057 0.000 0.338 37 F C 1.397 176.974 175.800 -0.372 0.000 1.103 37 F CA -0.063 57.846 58.000 -0.152 0.000 1.157 37 F CB 1.616 40.572 39.000 -0.074 0.000 1.167 37 F HN 0.675 nan 8.300 nan 0.000 0.529 38 G N 4.283 112.687 108.800 -0.660 0.000 2.339 38 G HA2 0.530 4.523 3.960 0.055 0.000 0.287 38 G HA3 0.530 4.523 3.960 0.055 0.000 0.287 38 G C -0.953 173.668 174.900 -0.466 0.000 1.163 38 G CA -0.560 43.956 45.100 -0.973 0.000 0.872 38 G HN 0.499 nan 8.290 nan 0.000 0.464 39 L N 1.681 122.765 121.223 -0.231 0.000 2.331 39 L HA 0.443 4.815 4.340 0.055 0.000 0.275 39 L C 0.961 177.741 176.870 -0.150 0.000 1.022 39 L CA -0.941 53.771 54.840 -0.213 0.000 0.812 39 L CB 1.939 43.871 42.059 -0.210 0.000 1.257 39 L HN 0.576 nan 8.230 nan 0.000 0.435 40 S N 0.113 115.675 115.700 -0.230 0.000 2.560 40 S HA 0.059 4.562 4.470 0.055 0.000 0.284 40 S C 0.937 175.412 174.600 -0.208 0.000 1.327 40 S CA -0.035 58.070 58.200 -0.158 0.000 1.055 40 S CB 0.621 63.633 63.200 -0.313 0.000 0.868 40 S HN 0.764 nan 8.310 nan 0.000 0.506 41 T N 1.185 115.646 114.554 -0.154 0.000 3.069 41 T HA 0.339 4.722 4.350 0.055 0.000 0.252 41 T C 0.128 174.582 174.700 -0.410 0.000 1.053 41 T CA -0.393 61.571 62.100 -0.227 0.000 0.964 41 T CB 0.019 68.840 68.868 -0.078 0.000 1.005 41 T HN 0.538 nan 8.240 nan 0.000 0.532 42 E N 0.586 120.403 120.200 -0.639 0.000 2.232 42 E HA 0.706 5.089 4.350 0.055 0.000 0.264 42 E C 0.523 176.898 176.600 -0.376 0.000 0.973 42 E CA -0.593 55.471 56.400 -0.561 0.000 0.849 42 E CB 1.844 31.071 29.700 -0.788 0.000 1.198 42 E HN 0.161 nan 8.360 nan 0.000 0.407 43 A N 0.382 123.047 122.820 -0.258 0.000 2.169 43 A HA 0.090 4.443 4.320 0.055 0.000 0.210 43 A C 0.868 178.361 177.584 -0.151 0.000 1.168 43 A CA 0.386 52.326 52.037 -0.162 0.000 0.813 43 A CB 0.467 19.418 19.000 -0.082 0.000 0.861 43 A HN 0.257 nan 8.150 nan 0.000 0.481 44 S N -0.835 114.752 115.700 -0.189 0.000 2.689 44 S HA 0.582 5.085 4.470 0.055 0.000 0.151 44 S C -0.714 173.783 174.600 -0.172 0.000 1.155 44 S CA 0.259 58.353 58.200 -0.175 0.000 1.144 44 S CB -0.334 62.808 63.200 -0.096 0.000 1.526 44 S HN 1.163 nan 8.310 nan 0.000 0.419 45 A N 2.156 124.861 122.820 -0.192 0.000 2.527 45 A HA 0.996 5.349 4.320 0.055 0.000 0.293 45 A C -0.211 177.346 177.584 -0.044 0.000 1.117 45 A CA -0.373 51.610 52.037 -0.089 0.000 0.723 45 A CB 1.361 20.324 19.000 -0.062 0.000 1.313 45 A HN 1.218 nan 8.150 nan 0.000 0.411 46 A N 0.228 123.058 122.820 0.018 0.000 2.303 46 A HA 0.715 5.068 4.320 0.055 0.000 0.317 46 A C -0.460 177.172 177.584 0.080 0.000 1.149 46 A CA -0.418 51.638 52.037 0.031 0.000 0.822 46 A CB 0.100 19.112 19.000 0.020 0.000 1.131 46 A HN 0.694 nan 8.150 nan 0.000 0.493 47 I N 1.581 122.176 120.570 0.042 0.000 2.331 47 I HA 0.277 4.480 4.170 0.055 0.000 0.292 47 I C 0.744 176.838 176.117 -0.039 0.000 0.998 47 I CA -0.138 61.146 61.300 -0.026 0.000 1.267 47 I CB 1.753 39.716 38.000 -0.062 0.000 1.386 47 I HN 0.760 nan 8.210 nan 0.000 0.476 48 T N 2.694 117.210 114.554 -0.064 0.000 2.969 48 T HA 0.216 4.598 4.350 0.055 0.000 0.250 48 T C 0.688 175.348 174.700 -0.067 0.000 1.021 48 T CA -0.118 61.955 62.100 -0.045 0.000 1.003 48 T CB 0.604 69.455 68.868 -0.028 0.000 1.040 48 T HN 0.734 nan 8.240 nan 0.000 0.492 49 G N 1.245 109.977 108.800 -0.113 0.000 2.707 49 G HA2 0.589 4.582 3.960 0.055 0.000 0.299 49 G HA3 0.589 4.582 3.960 0.055 0.000 0.299 49 G C -1.858 172.949 174.900 -0.155 0.000 1.442 49 G CA -0.447 44.584 45.100 -0.115 0.000 1.009 49 G HN 0.168 nan 8.290 nan 0.000 0.515 50 L N 2.458 123.608 121.223 -0.122 0.000 2.462 50 L HA 0.499 4.872 4.340 0.055 0.000 0.255 50 L C -0.967 175.823 176.870 -0.133 0.000 1.076 50 L CA -0.964 53.796 54.840 -0.134 0.000 0.920 50 L CB 1.390 43.389 42.059 -0.100 0.000 1.214 50 L HN 0.519 nan 8.230 nan 0.000 0.472 51 D N 3.312 123.628 120.400 -0.140 0.000 2.359 51 D HA 0.267 4.940 4.640 0.055 0.000 0.230 51 D C 0.416 176.606 176.300 -0.182 0.000 1.118 51 D CA -0.028 53.891 54.000 -0.134 0.000 0.844 51 D CB 0.885 41.623 40.800 -0.102 0.000 1.059 51 D HN 0.561 nan 8.370 nan 0.000 0.493 52 L N 3.114 124.211 121.223 -0.210 0.000 2.667 52 L HA 0.197 4.570 4.340 0.055 0.000 0.232 52 L C 1.737 178.488 176.870 -0.197 0.000 1.138 52 L CA -0.147 54.518 54.840 -0.292 0.000 0.921 52 L CB 0.117 41.953 42.059 -0.373 0.000 1.180 52 L HN 0.403 nan 8.230 nan 0.000 0.487 53 E N 1.695 121.813 120.200 -0.136 0.000 2.070 53 E HA -0.187 4.196 4.350 0.055 0.000 0.197 53 E C -0.758 175.794 176.600 -0.081 0.000 1.004 53 E CA 1.804 58.147 56.400 -0.096 0.000 0.805 53 E CB -0.775 28.881 29.700 -0.074 0.000 0.744 53 E HN 0.239 nan 8.360 nan 0.000 0.451 54 P HA -0.101 nan 4.420 nan 0.000 0.225 54 P C 1.065 178.336 177.300 -0.048 0.000 1.148 54 P CA 0.807 63.875 63.100 -0.053 0.000 0.779 54 P CB 0.127 31.800 31.700 -0.044 0.000 0.780 55 V N 0.148 120.011 119.914 -0.084 0.000 2.302 55 V HA -0.146 4.007 4.120 0.055 0.000 0.243 55 V C 2.374 178.447 176.094 -0.035 0.000 1.036 55 V CA 1.479 63.745 62.300 -0.057 0.000 1.020 55 V CB -1.008 30.731 31.823 -0.140 0.000 0.657 55 V HN 0.046 nan 8.190 nan 0.000 0.453 56 R N 0.389 120.848 120.500 -0.067 0.000 2.200 56 R HA -0.177 4.196 4.340 0.055 0.000 0.234 56 R C 1.889 178.171 176.300 -0.031 0.000 1.127 56 R CA 1.533 57.602 56.100 -0.052 0.000 0.989 56 R CB -0.228 30.029 30.300 -0.072 0.000 0.869 56 R HN 0.651 nan 8.270 nan 0.000 0.459 57 E N 0.154 120.336 120.200 -0.029 0.000 2.452 57 E HA 0.043 4.425 4.350 0.055 0.000 0.197 57 E C 0.239 176.835 176.600 -0.007 0.000 1.022 57 E CA -0.235 56.154 56.400 -0.019 0.000 0.890 57 E CB 0.551 30.237 29.700 -0.024 0.000 0.918 57 E HN -0.001 nan 8.360 nan 0.000 0.496 58 S N 2.526 118.226 115.700 -0.001 0.000 2.560 58 S HA 0.061 4.564 4.470 0.055 0.000 0.284 58 S C -2.209 172.399 174.600 0.013 0.000 1.327 58 S CA -1.500 56.706 58.200 0.010 0.000 1.055 58 S CB 0.396 63.609 63.200 0.021 0.000 0.868 58 S HN -0.098 nan 8.310 nan 0.000 0.506 59 P HA 0.179 nan 4.420 nan 0.000 0.267 59 P C 0.982 178.295 177.300 0.021 0.000 1.200 59 P CA 0.923 64.031 63.100 0.014 0.000 0.772 59 P CB 0.072 31.779 31.700 0.012 0.000 0.855 60 G N 1.018 109.833 108.800 0.024 0.000 2.212 60 G HA2 -0.243 3.750 3.960 0.055 0.000 0.266 60 G HA3 -0.243 3.750 3.960 0.055 0.000 0.266 60 G C 0.087 175.014 174.900 0.044 0.000 0.978 60 G CA 0.083 45.203 45.100 0.034 0.000 0.632 60 G HN 0.557 nan 8.290 nan 0.000 0.537 61 V N 2.699 122.635 119.914 0.038 0.000 2.439 61 V HA 0.248 4.401 4.120 0.055 0.000 0.271 61 V C 1.682 177.797 176.094 0.034 0.000 1.040 61 V CA -0.008 62.319 62.300 0.044 0.000 1.002 61 V CB 1.075 32.921 31.823 0.038 0.000 1.000 61 V HN 0.242 nan 8.190 nan 0.000 0.477 62 I N 3.574 124.174 120.570 0.049 0.000 2.731 62 I HA 0.310 4.513 4.170 0.055 0.000 0.260 62 I C 1.004 177.124 176.117 0.005 0.000 1.138 62 I CA 0.912 62.234 61.300 0.036 0.000 1.461 62 I CB -0.375 37.660 38.000 0.058 0.000 1.128 62 I HN 0.660 nan 8.210 nan 0.000 0.438 63 A N 0.505 123.333 122.820 0.013 0.000 2.572 63 A HA 0.724 5.077 4.320 0.055 0.000 0.295 63 A C -1.203 176.295 177.584 -0.144 0.000 1.072 63 A CA -0.371 51.578 52.037 -0.147 0.000 0.691 63 A CB 2.061 20.935 19.000 -0.211 0.000 1.291 63 A HN -0.152 nan 8.150 nan 0.000 0.404 64 V N 1.208 120.908 119.914 -0.357 0.000 2.588 64 V HA 0.660 4.813 4.120 0.055 0.000 0.304 64 V C -1.276 174.633 176.094 -0.309 0.000 1.042 64 V CA -0.278 61.941 62.300 -0.135 0.000 0.877 64 V CB 1.283 33.053 31.823 -0.089 0.000 0.996 64 V HN 0.734 nan 8.190 nan 0.000 0.425 65 F N 1.411 121.468 119.950 0.180 0.000 2.546 65 F HA 0.777 5.337 4.527 0.056 0.000 0.320 65 F C 0.452 176.373 175.800 0.203 0.000 1.076 65 F CA -0.453 57.643 58.000 0.160 0.000 0.928 65 F CB 2.631 41.722 39.000 0.152 0.000 1.189 65 F HN 0.353 nan 8.300 nan 0.000 0.465 66 T N 0.514 115.271 114.554 0.338 0.000 2.903 66 T HA 0.501 4.884 4.350 0.055 0.000 0.299 66 T C 0.734 175.561 174.700 0.212 0.000 1.093 66 T CA -0.053 62.193 62.100 0.244 0.000 1.002 66 T CB 1.849 70.802 68.868 0.141 0.000 1.127 66 T HN 0.707 nan 8.240 nan 0.000 0.488 67 A N 1.686 124.610 122.820 0.174 0.000 1.940 67 A HA -0.116 4.237 4.320 0.055 0.000 0.221 67 A C 2.423 180.077 177.584 0.116 0.000 1.190 67 A CA 2.644 54.765 52.037 0.140 0.000 0.647 67 A CB -1.138 17.933 19.000 0.119 0.000 0.821 67 A HN 1.007 nan 8.150 nan 0.000 0.457 68 A N -0.510 122.371 122.820 0.101 0.000 2.019 68 A HA -0.157 4.196 4.320 0.055 0.000 0.219 68 A C 1.500 179.136 177.584 0.087 0.000 1.164 68 A CA 1.682 53.764 52.037 0.076 0.000 0.644 68 A CB -0.437 18.595 19.000 0.054 0.000 0.805 68 A HN 0.525 nan 8.150 nan 0.000 0.449 69 D N -0.321 120.159 120.400 0.133 0.000 2.349 69 D HA 0.100 4.772 4.640 0.055 0.000 0.224 69 D C 0.136 176.546 176.300 0.183 0.000 1.029 69 D CA 0.198 54.303 54.000 0.175 0.000 0.879 69 D CB -0.031 40.933 40.800 0.273 0.000 0.906 69 D HN 0.362 nan 8.370 nan 0.000 0.528 70 L N 2.002 123.306 121.223 0.136 0.000 2.325 70 L HA 0.112 4.484 4.340 0.055 0.000 0.284 70 L C -1.014 175.893 176.870 0.062 0.000 1.089 70 L CA -1.373 53.532 54.840 0.109 0.000 0.836 70 L CB 1.083 43.205 42.059 0.105 0.000 1.184 70 L HN -0.272 nan 8.230 nan 0.000 0.444 71 P HA -0.151 nan 4.420 nan 0.000 0.215 71 P C 0.101 177.240 177.300 -0.268 0.000 1.163 71 P CA 1.722 64.804 63.100 -0.030 0.000 0.894 71 P CB 0.301 32.098 31.700 0.162 0.000 0.791 72 H N -3.209 115.895 119.070 0.058 0.000 4.162 72 H HA 0.277 4.866 4.556 0.055 0.000 0.374 72 H C -0.121 175.242 175.328 0.058 0.000 1.389 72 H CA -0.688 55.395 56.048 0.059 0.000 1.108 72 H CB -0.869 28.934 29.762 0.068 0.000 0.909 72 H HN -0.273 nan 8.280 nan 0.000 0.731 73 D N 0.724 121.261 120.400 0.228 0.000 2.563 73 D HA -0.029 4.644 4.640 0.055 0.000 0.229 73 D C -0.049 176.310 176.300 0.099 0.000 1.159 73 D CA 0.830 54.906 54.000 0.126 0.000 0.869 73 D CB 0.164 41.038 40.800 0.123 0.000 1.203 73 D HN 0.347 nan 8.370 nan 0.000 0.478 74 N N 1.845 120.587 118.700 0.070 0.000 2.791 74 N HA 0.205 4.978 4.740 0.055 0.000 0.265 74 N C -2.087 173.447 175.510 0.040 0.000 1.580 74 N CA -0.541 52.548 53.050 0.065 0.000 0.809 74 N CB 0.260 38.795 38.487 0.080 0.000 1.178 74 N HN 0.240 nan 8.380 nan 0.000 0.499 75 D N 0.374 120.780 120.400 0.011 0.000 2.738 75 D HA 0.441 5.114 4.640 0.055 0.000 0.218 75 D C -0.515 175.737 176.300 -0.079 0.000 1.345 75 D CA -0.414 53.570 54.000 -0.026 0.000 0.943 75 D CB 1.433 42.220 40.800 -0.022 0.000 1.514 75 D HN 0.228 nan 8.370 nan 0.000 0.585 76 A N 2.598 125.320 122.820 -0.163 0.000 2.390 76 A HA 0.270 4.623 4.320 0.055 0.000 0.232 76 A C 0.902 178.397 177.584 -0.149 0.000 1.233 76 A CA -0.187 51.700 52.037 -0.248 0.000 0.907 76 A CB 0.207 18.782 19.000 -0.708 0.000 0.967 76 A HN 0.357 nan 8.150 nan 0.000 0.512 77 S N 1.632 117.261 115.700 -0.118 0.000 2.533 77 S HA 0.268 4.771 4.470 0.055 0.000 0.282 77 S C -1.370 173.164 174.600 -0.110 0.000 1.304 77 S CA -0.944 57.190 58.200 -0.111 0.000 1.063 77 S CB 0.706 63.823 63.200 -0.137 0.000 0.881 77 S HN 0.331 nan 8.310 nan 0.000 0.493 78 P HA 0.215 nan 4.420 nan 0.000 0.249 78 P C -0.358 176.899 177.300 -0.072 0.000 1.241 78 P CA 0.166 63.218 63.100 -0.081 0.000 0.781 78 P CB -0.108 31.583 31.700 -0.016 0.000 1.088 79 A N 1.059 123.826 122.820 -0.087 0.000 2.469 79 A HA 0.619 4.972 4.320 0.055 0.000 0.299 79 A C -2.113 175.424 177.584 -0.077 0.000 1.098 79 A CA -1.577 50.415 52.037 -0.075 0.000 0.737 79 A CB 0.725 19.664 19.000 -0.103 0.000 1.312 79 A HN -0.209 nan 8.150 nan 0.000 0.414 80 P HA -0.021 nan 4.420 nan 0.000 0.236 80 P C 0.186 177.458 177.300 -0.047 0.000 1.172 80 P CA 0.878 63.954 63.100 -0.040 0.000 0.759 80 P CB -0.214 31.474 31.700 -0.020 0.000 0.843 81 S N 0.639 116.297 115.700 -0.070 0.000 2.451 81 S HA 0.528 5.030 4.470 0.055 0.000 0.301 81 S C -2.649 171.901 174.600 -0.083 0.000 1.116 81 S CA -2.068 56.092 58.200 -0.066 0.000 1.093 81 S CB 1.142 64.301 63.200 -0.068 0.000 1.017 81 S HN -0.050 nan 8.310 nan 0.000 0.482 82 P HA 0.104 nan 4.420 nan 0.000 0.266 82 P C -0.718 176.537 177.300 -0.074 0.000 1.195 82 P CA 0.208 63.281 63.100 -0.046 0.000 0.768 82 P CB 0.387 32.083 31.700 -0.007 0.000 0.838 83 E N 3.532 123.693 120.200 -0.066 0.000 2.343 83 E HA 0.316 4.698 4.350 0.055 0.000 0.260 83 E C -2.627 174.016 176.600 0.072 0.000 0.908 83 E CA -2.544 53.814 56.400 -0.069 0.000 0.814 83 E CB 1.773 31.359 29.700 -0.191 0.000 1.302 83 E HN 0.255 nan 8.360 nan 0.000 0.408 84 P HA 0.012 nan 4.420 nan 0.000 0.274 84 P C 0.658 178.079 177.300 0.202 0.000 1.231 84 P CA -0.271 62.935 63.100 0.176 0.000 0.790 84 P CB 1.484 33.305 31.700 0.201 0.000 0.951 85 V N 1.491 121.471 119.914 0.110 0.000 2.535 85 V HA -0.012 4.141 4.120 0.055 0.000 0.246 85 V C 1.195 177.361 176.094 0.119 0.000 1.045 85 V CA 1.302 63.673 62.300 0.118 0.000 1.058 85 V CB -0.564 31.306 31.823 0.078 0.000 0.689 85 V HN 0.396 nan 8.190 nan 0.000 0.461 86 L N 0.482 121.781 121.223 0.127 0.000 2.341 86 L HA 0.702 5.075 4.340 0.055 0.000 0.278 86 L C 0.244 177.186 176.870 0.120 0.000 1.005 86 L CA -0.836 54.070 54.840 0.111 0.000 0.818 86 L CB 1.583 43.743 42.059 0.167 0.000 1.259 86 L HN 0.140 nan 8.230 nan 0.000 0.418 87 A N 1.549 124.422 122.820 0.089 0.000 2.591 87 A HA 0.201 4.553 4.320 0.055 0.000 0.244 87 A C 0.658 178.313 177.584 0.118 0.000 1.031 87 A CA 0.317 52.414 52.037 0.100 0.000 0.767 87 A CB -0.344 18.686 19.000 0.050 0.000 0.942 87 A HN 0.731 nan 8.150 nan 0.000 0.514 88 T N 0.776 115.415 114.554 0.141 0.000 3.355 88 T HA 0.522 4.905 4.350 0.055 0.000 0.376 88 T C 1.082 175.849 174.700 0.111 0.000 1.683 88 T CA 0.290 62.464 62.100 0.123 0.000 1.269 88 T CB 0.085 69.031 68.868 0.131 0.000 1.158 88 T HN 2.338 nan 8.240 nan 0.000 0.703 89 G N 1.961 110.812 108.800 0.084 0.000 2.184 89 G HA2 -0.215 3.778 3.960 0.055 0.000 0.264 89 G HA3 -0.215 3.778 3.960 0.055 0.000 0.264 89 G C -0.182 174.751 174.900 0.054 0.000 0.975 89 G CA 0.443 45.580 45.100 0.061 0.000 0.642 89 G HN 1.189 nan 8.290 nan 0.000 0.536 90 E N -2.280 117.959 120.200 0.065 0.000 2.392 90 E HA 0.588 4.971 4.350 0.055 0.000 0.281 90 E C -0.603 175.978 176.600 -0.031 0.000 1.088 90 E CA -0.769 55.638 56.400 0.012 0.000 0.850 90 E CB 1.512 31.203 29.700 -0.014 0.000 1.267 90 E HN 1.310 nan 8.360 nan 0.000 0.438 91 V N -1.258 118.544 119.914 -0.186 0.000 2.864 91 V HA 0.588 4.740 4.120 0.055 0.000 0.314 91 V C -0.406 175.393 176.094 -0.492 0.000 1.073 91 V CA -0.437 61.717 62.300 -0.244 0.000 0.956 91 V CB 1.764 33.468 31.823 -0.199 0.000 1.023 91 V HN 0.942 nan 8.190 nan 0.000 0.435 92 H N 2.726 121.626 119.070 -0.283 0.000 3.398 92 H HA 0.385 4.974 4.556 0.054 0.000 0.260 92 H C -0.330 174.946 175.328 -0.087 0.000 1.189 92 H CA 0.791 56.763 56.048 -0.127 0.000 1.145 92 H CB 1.321 31.148 29.762 0.107 0.000 1.599 92 H HN 0.787 nan 8.280 nan 0.000 0.615 93 F N -1.561 118.160 119.950 -0.382 0.000 2.773 93 F HA 0.484 5.043 4.527 0.054 0.000 0.314 93 F C -1.634 174.014 175.800 -0.253 0.000 1.160 93 F CA -1.429 56.405 58.000 -0.278 0.000 0.920 93 F CB 0.785 39.613 39.000 -0.288 0.000 1.323 93 F HN -0.349 nan 8.300 nan 0.000 0.457 94 V N 2.279 122.080 119.914 -0.188 0.000 2.415 94 V HA 0.521 4.674 4.120 0.055 0.000 0.267 94 V C 0.774 176.636 176.094 -0.385 0.000 1.042 94 V CA 0.850 62.973 62.300 -0.294 0.000 1.000 94 V CB -0.157 31.610 31.823 -0.093 0.000 1.015 94 V HN 1.534 nan 8.190 nan 0.000 0.478 95 G N 3.517 111.914 108.800 -0.672 0.000 2.273 95 G HA2 -0.149 3.844 3.960 0.055 0.000 0.162 95 G HA3 -0.149 3.844 3.960 0.055 0.000 0.162 95 G C 0.123 174.559 174.900 -0.774 0.000 1.006 95 G CA -0.263 44.540 45.100 -0.494 0.000 0.704 95 G HN 0.590 nan 8.290 nan 0.000 0.487 96 Q N 1.404 120.434 119.800 -1.283 0.000 2.293 96 Q HA 0.350 4.723 4.340 0.055 0.000 0.263 96 Q C -2.360 173.340 176.000 -0.501 0.000 1.002 96 Q CA -1.656 53.552 55.803 -0.992 0.000 0.910 96 Q CB 1.067 29.146 28.738 -1.098 0.000 1.185 96 Q HN 0.152 nan 8.270 nan 0.000 0.401 97 P HA -0.031 nan 4.420 nan 0.000 0.264 97 P C -0.254 176.902 177.300 -0.240 0.000 1.193 97 P CA 0.662 63.483 63.100 -0.466 0.000 0.763 97 P CB 0.595 31.641 31.700 -1.089 0.000 0.810 98 I N 2.253 122.742 120.570 -0.135 0.000 3.443 98 I HA 0.168 4.371 4.170 0.055 0.000 0.277 98 I C 0.640 176.886 176.117 0.215 0.000 1.169 98 I CA 0.401 61.734 61.300 0.054 0.000 1.419 98 I CB 0.106 38.182 38.000 0.128 0.000 1.331 98 I HN 0.267 nan 8.210 nan 0.000 0.458 99 F N 0.289 120.323 119.950 0.139 0.000 2.650 99 F HA 0.791 5.351 4.527 0.054 0.000 0.320 99 F C -1.274 174.730 175.800 0.339 0.000 1.091 99 F CA -1.481 56.644 58.000 0.208 0.000 0.962 99 F CB 1.400 40.481 39.000 0.135 0.000 1.363 99 F HN -0.268 nan 8.300 nan 0.000 0.482 100 L N 2.185 123.716 121.223 0.513 0.000 2.385 100 L HA 0.814 5.187 4.340 0.055 0.000 0.273 100 L C -1.590 175.557 176.870 0.461 0.000 0.990 100 L CA -0.731 54.346 54.840 0.396 0.000 0.821 100 L CB 2.119 44.392 42.059 0.357 0.000 1.279 100 L HN 0.630 nan 8.230 nan 0.000 0.412 101 V N 4.033 124.122 119.914 0.292 0.000 2.417 101 V HA 0.848 5.001 4.120 0.055 0.000 0.291 101 V C 0.201 176.420 176.094 0.207 0.000 1.024 101 V CA -0.440 62.023 62.300 0.271 0.000 0.861 101 V CB 1.216 33.169 31.823 0.217 0.000 0.985 101 V HN 0.947 nan 8.190 nan 0.000 0.436 102 A N 3.858 126.826 122.820 0.247 0.000 2.271 102 A HA 0.957 5.310 4.320 0.055 0.000 0.317 102 A C 0.039 177.709 177.584 0.144 0.000 1.245 102 A CA 0.013 52.166 52.037 0.194 0.000 0.857 102 A CB 0.960 20.122 19.000 0.270 0.000 1.175 102 A HN 1.468 nan 8.150 nan 0.000 0.512 103 A N 1.281 124.183 122.820 0.136 0.000 2.569 103 A HA 0.724 5.077 4.320 0.055 0.000 0.290 103 A C 0.765 178.443 177.584 0.156 0.000 1.136 103 A CA 0.233 52.341 52.037 0.119 0.000 0.710 103 A CB 0.275 19.332 19.000 0.095 0.000 1.303 103 A HN 1.453 nan 8.150 nan 0.000 0.413 104 T N -1.318 113.312 114.554 0.126 0.000 3.215 104 T HA 0.354 4.736 4.350 0.055 0.000 0.254 104 T C 0.550 175.348 174.700 0.163 0.000 1.149 104 T CA 0.894 63.084 62.100 0.150 0.000 1.042 104 T CB -1.020 67.901 68.868 0.089 0.000 0.966 104 T HN 1.975 nan 8.240 nan 0.000 0.534 105 S N -1.055 114.710 115.700 0.108 0.000 2.567 105 S HA 0.283 4.786 4.470 0.055 0.000 0.270 105 S C 0.346 174.910 174.600 -0.061 0.000 1.152 105 S CA -0.804 57.326 58.200 -0.117 0.000 0.835 105 S CB 0.986 64.132 63.200 -0.091 0.000 1.115 105 S HN 0.228 nan 8.310 nan 0.000 0.459 106 H N 1.478 120.366 119.070 -0.303 0.000 2.357 106 H HA 0.016 4.606 4.556 0.056 0.000 0.301 106 H C 1.791 177.100 175.328 -0.031 0.000 1.082 106 H CA 1.484 57.475 56.048 -0.096 0.000 1.342 106 H CB -0.007 29.684 29.762 -0.119 0.000 1.389 106 H HN 0.486 nan 8.280 nan 0.000 0.511 107 R N 0.690 121.149 120.500 -0.067 0.000 2.096 107 R HA -0.114 4.259 4.340 0.055 0.000 0.229 107 R C 2.588 178.844 176.300 -0.074 0.000 1.134 107 R CA 1.229 57.279 56.100 -0.083 0.000 0.917 107 R CB -1.184 29.104 30.300 -0.020 0.000 0.832 107 R HN 0.401 nan 8.270 nan 0.000 0.430 108 A N 1.164 123.965 122.820 -0.031 0.000 1.940 108 A HA -0.275 4.078 4.320 0.055 0.000 0.221 108 A C 2.409 179.992 177.584 -0.000 0.000 1.190 108 A CA 2.691 54.725 52.037 -0.004 0.000 0.647 108 A CB -0.833 18.177 19.000 0.017 0.000 0.821 108 A HN 0.509 nan 8.150 nan 0.000 0.457 109 A N -0.625 122.190 122.820 -0.009 0.000 1.877 109 A HA -0.169 4.184 4.320 0.055 0.000 0.216 109 A C 2.258 179.828 177.584 -0.024 0.000 1.186 109 A CA 1.533 53.575 52.037 0.008 0.000 0.620 109 A CB -0.500 18.517 19.000 0.028 0.000 0.822 109 A HN 0.586 nan 8.150 nan 0.000 0.443 110 R N -0.619 119.813 120.500 -0.114 0.000 2.073 110 R HA -0.082 4.291 4.340 0.055 0.000 0.234 110 R C 2.083 178.367 176.300 -0.027 0.000 1.134 110 R CA 1.545 57.585 56.100 -0.100 0.000 0.952 110 R CB -0.688 29.505 30.300 -0.179 0.000 0.850 110 R HN 0.553 nan 8.270 nan 0.000 0.433 111 I N 0.989 121.544 120.570 -0.024 0.000 2.113 111 I HA -0.349 3.853 4.170 0.055 0.000 0.242 111 I C 2.609 178.748 176.117 0.036 0.000 1.064 111 I CA 1.769 63.072 61.300 0.006 0.000 1.320 111 I CB -0.365 37.636 38.000 0.002 0.000 1.028 111 I HN 0.233 nan 8.210 nan 0.000 0.406 112 A N 0.129 122.980 122.820 0.052 0.000 2.014 112 A HA -0.031 4.322 4.320 0.055 0.000 0.218 112 A C 2.479 180.161 177.584 0.164 0.000 1.163 112 A CA 1.350 53.439 52.037 0.087 0.000 0.652 112 A CB -0.715 18.336 19.000 0.085 0.000 0.808 112 A HN 0.456 nan 8.150 nan 0.000 0.449 113 A N 0.247 123.166 122.820 0.166 0.000 1.978 113 A HA -0.188 4.165 4.320 0.055 0.000 0.220 113 A C 2.089 179.823 177.584 0.250 0.000 1.170 113 A CA 1.431 53.606 52.037 0.230 0.000 0.636 113 A CB -0.461 18.562 19.000 0.038 0.000 0.810 113 A HN 0.531 nan 8.150 nan 0.000 0.448 114 R N -0.615 119.966 120.500 0.135 0.000 2.323 114 R HA 0.038 4.411 4.340 0.055 0.000 0.198 114 R C 0.563 176.926 176.300 0.104 0.000 0.988 114 R CA 0.697 56.859 56.100 0.104 0.000 1.041 114 R CB -0.067 30.265 30.300 0.054 0.000 0.926 114 R HN 0.442 nan 8.270 nan 0.000 0.476 115 K N 0.266 120.738 120.400 0.119 0.000 2.440 115 K HA 0.225 4.578 4.320 0.055 0.000 0.206 115 K C -0.094 176.518 176.600 0.020 0.000 1.025 115 K CA -0.291 56.029 56.287 0.055 0.000 1.135 115 K CB 1.337 33.857 32.500 0.032 0.000 0.856 115 K HN 0.022 nan 8.250 nan 0.000 0.502 116 A N 1.637 124.489 122.820 0.052 0.000 2.388 116 A HA 0.257 4.609 4.320 0.055 0.000 0.257 116 A C -0.211 177.349 177.584 -0.039 0.000 1.095 116 A CA -0.300 51.703 52.037 -0.058 0.000 0.791 116 A CB 0.301 19.279 19.000 -0.037 0.000 1.029 116 A HN 0.250 nan 8.150 nan 0.000 0.489 117 R N 2.085 122.533 120.500 -0.087 0.000 2.233 117 R HA 0.416 4.788 4.340 0.055 0.000 0.334 117 R C -1.251 174.977 176.300 -0.120 0.000 1.037 117 R CA 0.031 56.085 56.100 -0.077 0.000 0.920 117 R CB 0.536 30.793 30.300 -0.071 0.000 1.137 117 R HN 0.648 nan 8.270 nan 0.000 0.492 118 I N 2.030 122.516 120.570 -0.141 0.000 2.404 118 I HA 0.201 4.404 4.170 0.055 0.000 0.293 118 I C 0.558 176.466 176.117 -0.348 0.000 0.992 118 I CA -0.633 60.490 61.300 -0.294 0.000 1.149 118 I CB 2.215 39.966 38.000 -0.415 0.000 1.315 118 I HN 0.468 nan 8.210 nan 0.000 0.446 119 T N 2.632 116.978 114.554 -0.346 0.000 2.794 119 T HA 0.618 5.001 4.350 0.055 0.000 0.280 119 T C -0.833 173.667 174.700 -0.333 0.000 0.987 119 T CA -0.542 61.408 62.100 -0.250 0.000 0.993 119 T CB 0.664 69.466 68.868 -0.110 0.000 0.939 119 T HN 0.286 nan 8.240 nan 0.000 0.449 120 Y N 1.105 121.388 120.300 -0.028 0.000 2.487 120 Y HA 0.653 5.235 4.550 0.054 0.000 0.337 120 Y C 0.421 176.302 175.900 -0.032 0.000 1.076 120 Y CA -1.543 56.536 58.100 -0.036 0.000 1.115 120 Y CB 1.926 40.357 38.460 -0.049 0.000 1.235 120 Y HN 0.918 nan 8.280 nan 0.000 0.468 121 A N 3.457 126.363 122.820 0.143 0.000 2.801 121 A HA 0.559 4.912 4.320 0.055 0.000 0.344 121 A C -2.732 174.878 177.584 0.044 0.000 1.322 121 A CA -1.769 50.309 52.037 0.069 0.000 0.913 121 A CB -0.618 18.404 19.000 0.038 0.000 1.140 121 A HN 0.428 nan 8.150 nan 0.000 0.487 122 P HA 0.195 nan 4.420 nan 0.000 0.269 122 P C -0.089 177.196 177.300 -0.026 0.000 1.211 122 P CA 0.339 63.422 63.100 -0.029 0.000 0.781 122 P CB 0.466 32.142 31.700 -0.041 0.000 0.877 123 R N 1.032 121.505 120.500 -0.044 0.000 2.836 123 R HA 0.507 4.879 4.340 0.055 0.000 0.269 123 R C -2.499 173.781 176.300 -0.034 0.000 1.010 123 R CA -2.000 54.080 56.100 -0.032 0.000 0.930 123 R CB 0.594 30.873 30.300 -0.035 0.000 1.218 123 R HN 0.349 nan 8.270 nan 0.000 0.473 124 P HA 0.112 nan 4.420 nan 0.000 0.268 124 P C -1.295 175.992 177.300 -0.022 0.000 1.204 124 P CA -0.125 62.964 63.100 -0.018 0.000 0.768 124 P CB 0.897 32.590 31.700 -0.011 0.000 0.842 125 A N 3.664 126.470 122.820 -0.024 0.000 2.330 125 A HA 0.532 4.885 4.320 0.055 0.000 0.313 125 A C -0.401 177.167 177.584 -0.027 0.000 1.124 125 A CA -0.735 51.286 52.037 -0.026 0.000 0.774 125 A CB 0.404 19.381 19.000 -0.039 0.000 1.198 125 A HN 0.360 nan 8.150 nan 0.000 0.465 126 I N 3.575 124.130 120.570 -0.026 0.000 2.329 126 I HA 0.154 4.356 4.170 0.055 0.000 0.295 126 I C 0.763 176.837 176.117 -0.071 0.000 1.109 126 I CA 0.566 61.839 61.300 -0.044 0.000 1.297 126 I CB -0.000 37.971 38.000 -0.047 0.000 1.433 126 I HN 0.667 nan 8.210 nan 0.000 0.509 127 L N 3.641 124.813 121.223 -0.084 0.000 2.609 127 L HA 0.210 4.583 4.340 0.055 0.000 0.230 127 L C 0.833 177.607 176.870 -0.160 0.000 1.064 127 L CA 0.128 54.885 54.840 -0.138 0.000 0.873 127 L CB -0.055 41.942 42.059 -0.103 0.000 1.139 127 L HN 0.635 nan 8.230 nan 0.000 0.490 128 T N -2.903 111.590 114.554 -0.103 0.000 2.888 128 T HA 0.455 4.837 4.350 0.055 0.000 0.284 128 T C 0.835 175.482 174.700 -0.089 0.000 1.017 128 T CA -0.630 61.415 62.100 -0.092 0.000 1.022 128 T CB 2.252 71.090 68.868 -0.049 0.000 1.013 128 T HN -0.135 nan 8.240 nan 0.000 0.465 129 L N 1.464 122.633 121.223 -0.089 0.000 2.127 129 L HA -0.008 4.365 4.340 0.055 0.000 0.211 129 L C 1.998 178.821 176.870 -0.078 0.000 1.089 129 L CA 1.710 56.497 54.840 -0.089 0.000 0.757 129 L CB -1.036 40.972 42.059 -0.085 0.000 0.899 129 L HN 0.724 nan 8.230 nan 0.000 0.434 130 D N -0.941 119.422 120.400 -0.061 0.000 2.084 130 D HA -0.184 4.489 4.640 0.055 0.000 0.196 130 D C 2.209 178.478 176.300 -0.052 0.000 0.985 130 D CA 0.922 54.889 54.000 -0.054 0.000 0.826 130 D CB -0.271 40.507 40.800 -0.036 0.000 0.978 130 D HN 0.339 nan 8.370 nan 0.000 0.456 131 Q N 0.348 120.120 119.800 -0.047 0.000 2.217 131 Q HA -0.209 4.164 4.340 0.055 0.000 0.209 131 Q C 2.162 178.131 176.000 -0.051 0.000 0.988 131 Q CA 1.607 57.385 55.803 -0.043 0.000 0.878 131 Q CB -0.239 28.474 28.738 -0.041 0.000 0.909 131 Q HN 0.332 nan 8.270 nan 0.000 0.424 132 A N 0.471 123.252 122.820 -0.065 0.000 1.855 132 A HA -0.166 4.186 4.320 0.055 0.000 0.215 132 A C 1.924 179.468 177.584 -0.067 0.000 1.191 132 A CA 1.087 53.080 52.037 -0.074 0.000 0.613 132 A CB -0.499 18.447 19.000 -0.090 0.000 0.829 132 A HN 0.238 nan 8.150 nan 0.000 0.442 133 L N -0.329 120.850 121.223 -0.073 0.000 2.042 133 L HA -0.181 4.192 4.340 0.055 0.000 0.210 133 L C 3.042 179.883 176.870 -0.047 0.000 1.076 133 L CA 2.054 56.851 54.840 -0.071 0.000 0.749 133 L CB -1.841 40.155 42.059 -0.105 0.000 0.893 133 L HN 0.456 nan 8.230 nan 0.000 0.432 134 A N -0.243 122.551 122.820 -0.044 0.000 1.865 134 A HA -0.178 4.175 4.320 0.055 0.000 0.217 134 A C 2.360 179.928 177.584 -0.026 0.000 1.191 134 A CA 2.198 54.216 52.037 -0.031 0.000 0.623 134 A CB -0.752 18.231 19.000 -0.028 0.000 0.826 134 A HN 0.405 nan 8.150 nan 0.000 0.444 135 A N -2.452 120.350 122.820 -0.030 0.000 2.169 135 A HA 0.269 4.621 4.320 0.055 0.000 0.212 135 A C 0.912 178.479 177.584 -0.028 0.000 1.153 135 A CA 1.339 53.361 52.037 -0.027 0.000 0.756 135 A CB -0.255 18.727 19.000 -0.030 0.000 0.813 135 A HN 0.578 nan 8.150 nan 0.000 0.471 136 D N -1.602 118.779 120.400 -0.031 0.000 3.068 136 D HA -0.141 4.532 4.640 0.055 0.000 0.218 136 D C 0.085 176.352 176.300 -0.056 0.000 1.145 136 D CA 1.048 55.031 54.000 -0.028 0.000 0.896 136 D CB -1.669 39.122 40.800 -0.014 0.000 1.105 136 D HN 0.255 nan 8.370 nan 0.000 0.423 137 S N 0.225 115.878 115.700 -0.078 0.000 2.686 137 S HA 0.290 4.793 4.470 0.055 0.000 0.324 137 S C 0.129 174.609 174.600 -0.200 0.000 1.172 137 S CA -0.107 58.013 58.200 -0.133 0.000 1.127 137 S CB -0.143 62.991 63.200 -0.111 0.000 1.338 137 S HN 0.387 nan 8.310 nan 0.000 0.547 138 R N 2.663 123.011 120.500 -0.254 0.000 2.710 138 R HA 0.494 4.867 4.340 0.055 0.000 0.270 138 R C -1.586 174.517 176.300 -0.328 0.000 1.021 138 R CA -0.858 55.096 56.100 -0.244 0.000 0.889 138 R CB 0.626 30.891 30.300 -0.060 0.000 1.243 138 R HN 0.333 nan 8.270 nan 0.000 0.464 139 F N 0.975 120.920 119.950 -0.008 0.000 2.399 139 F HA 0.347 4.908 4.527 0.055 0.000 0.328 139 F C 0.870 176.658 175.800 -0.020 0.000 1.084 139 F CA -0.074 57.916 58.000 -0.018 0.000 1.053 139 F CB 1.398 40.381 39.000 -0.028 0.000 1.209 139 F HN 0.855 nan 8.300 nan 0.000 0.502 140 E N 0.101 120.419 120.200 0.196 0.000 4.202 140 E HA -0.164 4.219 4.350 0.055 0.000 0.388 140 E C 0.539 177.171 176.600 0.053 0.000 0.580 140 E CA 0.467 56.924 56.400 0.094 0.000 1.386 140 E CB -1.588 28.151 29.700 0.066 0.000 1.836 140 E HN 1.162 nan 8.360 nan 0.000 0.378 141 G N 0.744 109.571 108.800 0.045 0.000 2.547 141 G HA2 0.231 4.223 3.960 0.055 0.000 0.226 141 G HA3 0.231 4.223 3.960 0.055 0.000 0.226 141 G C 0.469 175.375 174.900 0.010 0.000 0.871 141 G CA 0.941 46.055 45.100 0.022 0.000 1.142 141 G HN 1.261 nan 8.290 nan 0.000 0.362 142 G N 2.654 111.456 108.800 0.003 0.000 2.733 142 G HA2 0.275 4.267 3.960 0.055 0.000 0.686 142 G HA3 0.275 4.267 3.960 0.055 0.000 0.686 142 G C -1.399 173.450 174.900 -0.084 0.000 1.373 142 G CA -0.022 45.066 45.100 -0.021 0.000 0.838 142 G HN 1.331 nan 8.290 nan 0.000 0.588 143 P HA 0.442 nan 4.420 nan 0.000 0.274 143 P C 0.119 177.288 177.300 -0.218 0.000 1.237 143 P CA -0.329 62.535 63.100 -0.394 0.000 0.793 143 P CB 1.087 32.268 31.700 -0.865 0.000 0.977 144 V N 3.427 123.212 119.914 -0.215 0.000 2.461 144 V HA 0.237 4.390 4.120 0.055 0.000 0.275 144 V C 0.638 176.595 176.094 -0.228 0.000 1.047 144 V CA -0.092 62.099 62.300 -0.182 0.000 0.955 144 V CB 0.288 31.981 31.823 -0.217 0.000 0.988 144 V HN 0.342 nan 8.190 nan 0.000 0.471 145 I N 4.793 125.304 120.570 -0.098 0.000 2.447 145 I HA 0.444 4.647 4.170 0.055 0.000 0.287 145 I C -1.163 175.103 176.117 0.248 0.000 1.023 145 I CA -0.339 60.959 61.300 -0.003 0.000 1.083 145 I CB 1.816 39.838 38.000 0.037 0.000 1.245 145 I HN 0.501 nan 8.210 nan 0.000 0.434 146 W N 5.124 126.483 121.300 0.099 0.000 2.656 146 W HA 0.794 5.487 4.660 0.054 0.000 0.327 146 W C -0.336 176.264 176.519 0.135 0.000 1.041 146 W CA -1.535 55.892 57.345 0.136 0.000 1.229 146 W CB 1.825 31.412 29.460 0.212 0.000 1.397 146 W HN 0.415 nan 8.180 nan 0.000 0.479 147 A N 3.641 126.667 122.820 0.343 0.000 2.393 147 A HA 0.827 5.180 4.320 0.055 0.000 0.306 147 A C -1.022 176.678 177.584 0.194 0.000 1.050 147 A CA -0.947 51.227 52.037 0.228 0.000 0.724 147 A CB 2.053 21.145 19.000 0.152 0.000 1.248 147 A HN 0.564 nan 8.150 nan 0.000 0.424 148 R N 1.922 122.526 120.500 0.173 0.000 2.437 148 R HA 0.560 4.933 4.340 0.055 0.000 0.310 148 R C 0.686 177.036 176.300 0.085 0.000 0.955 148 R CA 0.816 56.994 56.100 0.130 0.000 0.851 148 R CB 1.203 31.597 30.300 0.157 0.000 1.161 148 R HN 2.138 nan 8.270 nan 0.000 0.446 149 G N 3.146 111.987 108.800 0.068 0.000 2.547 149 G HA2 -0.319 3.673 3.960 0.055 0.000 0.271 149 G HA3 -0.319 3.673 3.960 0.055 0.000 0.271 149 G C -0.828 174.099 174.900 0.044 0.000 1.209 149 G CA 0.486 45.615 45.100 0.048 0.000 0.959 149 G HN 0.660 nan 8.290 nan 0.000 0.563 150 D N -0.101 120.316 120.400 0.029 0.000 2.330 150 D HA 0.445 5.118 4.640 0.055 0.000 0.249 150 D C 1.678 177.983 176.300 0.009 0.000 1.306 150 D CA 0.285 54.299 54.000 0.023 0.000 0.956 150 D CB 0.876 41.688 40.800 0.020 0.000 1.261 150 D HN 0.706 nan 8.370 nan 0.000 0.544 151 V N 2.595 122.513 119.914 0.007 0.000 2.252 151 V HA -0.251 3.902 4.120 0.055 0.000 0.249 151 V C 2.223 178.305 176.094 -0.019 0.000 1.056 151 V CA 1.770 64.062 62.300 -0.014 0.000 1.022 151 V CB -0.821 30.990 31.823 -0.019 0.000 0.641 151 V HN 0.416 nan 8.190 nan 0.000 0.445 152 E N 0.791 120.985 120.200 -0.010 0.000 2.058 152 E HA -0.176 4.206 4.350 0.055 0.000 0.194 152 E C 2.304 178.895 176.600 -0.016 0.000 0.997 152 E CA 2.212 58.604 56.400 -0.014 0.000 0.801 152 E CB -0.609 29.088 29.700 -0.005 0.000 0.746 152 E HN 0.729 nan 8.360 nan 0.000 0.450 153 T N 0.242 114.791 114.554 -0.009 0.000 2.674 153 T HA -0.206 4.176 4.350 0.055 0.000 0.265 153 T C 1.864 176.555 174.700 -0.015 0.000 1.039 153 T CA 1.564 63.658 62.100 -0.009 0.000 1.150 153 T CB -0.629 68.238 68.868 -0.001 0.000 0.864 153 T HN 0.334 nan 8.240 nan 0.000 0.427 154 A N 1.444 124.254 122.820 -0.017 0.000 1.873 154 A HA -0.091 4.262 4.320 0.055 0.000 0.218 154 A C 2.366 179.931 177.584 -0.032 0.000 1.193 154 A CA 1.603 53.627 52.037 -0.023 0.000 0.629 154 A CB -1.092 17.891 19.000 -0.028 0.000 0.826 154 A HN 0.482 nan 8.150 nan 0.000 0.447 155 L N -0.869 120.331 121.223 -0.039 0.000 2.046 155 L HA -0.216 4.157 4.340 0.055 0.000 0.208 155 L C 3.103 179.945 176.870 -0.047 0.000 1.077 155 L CA 1.026 55.837 54.840 -0.049 0.000 0.747 155 L CB -0.624 41.401 42.059 -0.057 0.000 0.896 155 L HN 0.463 nan 8.230 nan 0.000 0.432 156 A N 0.215 123.012 122.820 -0.038 0.000 1.948 156 A HA -0.175 4.178 4.320 0.055 0.000 0.220 156 A C 2.101 179.662 177.584 -0.039 0.000 1.177 156 A CA 1.924 53.939 52.037 -0.036 0.000 0.636 156 A CB -1.006 17.977 19.000 -0.027 0.000 0.815 156 A HN 0.474 nan 8.150 nan 0.000 0.449 157 G N -1.358 107.421 108.800 -0.035 0.000 3.434 157 G HA2 0.449 4.442 3.960 0.055 0.000 0.258 157 G HA3 0.449 4.442 3.960 0.055 0.000 0.258 157 G C 0.357 175.232 174.900 -0.042 0.000 1.128 157 G CA 0.507 45.586 45.100 -0.035 0.000 0.792 157 G HN 0.748 nan 8.290 nan 0.000 0.539 158 A N 0.573 123.364 122.820 -0.050 0.000 2.347 158 A HA 0.650 5.003 4.320 0.055 0.000 0.287 158 A C 1.690 179.223 177.584 -0.084 0.000 1.199 158 A CA 0.370 52.376 52.037 -0.050 0.000 0.851 158 A CB 0.631 19.603 19.000 -0.047 0.000 1.118 158 A HN 0.689 nan 8.150 nan 0.000 0.525 159 A N 2.528 125.298 122.820 -0.082 0.000 1.997 159 A HA -0.094 4.258 4.320 0.055 0.000 0.221 159 A C 0.978 178.274 177.584 -0.481 0.000 1.172 159 A CA 1.451 53.365 52.037 -0.204 0.000 0.645 159 A CB -0.430 18.526 19.000 -0.074 0.000 0.813 159 A HN 0.851 nan 8.150 nan 0.000 0.454 160 H N -2.595 116.435 119.070 -0.066 0.000 2.865 160 H HA 0.626 5.215 4.556 0.055 0.000 0.362 160 H C -1.779 173.488 175.328 -0.102 0.000 1.114 160 H CA -0.702 55.297 56.048 -0.083 0.000 1.208 160 H CB 1.505 31.218 29.762 -0.081 0.000 1.727 160 H HN 0.185 nan 8.280 nan 0.000 0.534 161 L N 1.736 122.945 121.223 -0.023 0.000 2.431 161 L HA 0.627 5.000 4.340 0.055 0.000 0.266 161 L C -0.961 175.806 176.870 -0.172 0.000 0.978 161 L CA -0.455 54.330 54.840 -0.091 0.000 0.822 161 L CB 1.809 43.806 42.059 -0.103 0.000 1.310 161 L HN 0.780 nan 8.230 nan 0.000 0.409 162 A N 3.706 126.398 122.820 -0.213 0.000 2.360 162 A HA 0.677 5.029 4.320 0.055 0.000 0.309 162 A C -0.748 176.670 177.584 -0.277 0.000 1.311 162 A CA -0.467 51.321 52.037 -0.416 0.000 0.805 162 A CB 0.444 19.120 19.000 -0.539 0.000 1.144 162 A HN 0.693 nan 8.150 nan 0.000 0.486 163 E N 0.892 120.895 120.200 -0.328 0.000 2.249 163 E HA 0.622 5.005 4.350 0.055 0.000 0.280 163 E C 0.419 176.787 176.600 -0.386 0.000 1.016 163 E CA 0.238 56.456 56.400 -0.302 0.000 0.830 163 E CB 1.797 31.374 29.700 -0.206 0.000 1.081 163 E HN 0.872 nan 8.360 nan 0.000 0.395 164 G N 0.675 109.011 108.800 -0.774 0.000 2.576 164 G HA2 0.483 4.475 3.960 0.055 0.000 0.290 164 G HA3 0.483 4.475 3.960 0.055 0.000 0.290 164 G C -1.745 172.732 174.900 -0.705 0.000 1.442 164 G CA -0.490 44.167 45.100 -0.739 0.000 0.792 164 G HN 0.674 nan 8.290 nan 0.000 0.491 165 C N 0.494 119.778 119.300 -0.027 0.000 2.891 165 C HA 0.955 5.447 4.460 0.055 0.000 0.342 165 C C -1.422 173.880 174.990 0.520 0.000 1.126 165 C CA -0.980 58.185 59.018 0.245 0.000 1.322 165 C CB -0.009 27.807 27.740 0.127 0.000 1.763 165 C HN 1.691 nan 8.230 nan 0.000 0.491 166 F N 2.930 123.040 119.950 0.266 0.000 2.770 166 F HA 0.705 5.265 4.527 0.055 0.000 0.313 166 F C -1.247 174.661 175.800 0.180 0.000 1.154 166 F CA -0.674 57.462 58.000 0.226 0.000 0.923 166 F CB 0.988 40.150 39.000 0.271 0.000 1.301 166 F HN 0.476 nan 8.300 nan 0.000 0.449 167 E N 2.998 123.136 120.200 -0.103 0.000 2.197 167 E HA 0.483 4.865 4.350 0.055 0.000 0.281 167 E C -0.763 175.630 176.600 -0.345 0.000 0.995 167 E CA -0.479 55.804 56.400 -0.194 0.000 0.808 167 E CB 2.502 32.202 29.700 -0.001 0.000 1.093 167 E HN 0.606 nan 8.360 nan 0.000 0.394 168 I N 1.583 121.959 120.570 -0.324 0.000 2.362 168 I HA 0.322 4.525 4.170 0.055 0.000 0.289 168 I C 0.857 176.978 176.117 0.006 0.000 0.994 168 I CA -0.859 60.298 61.300 -0.239 0.000 1.158 168 I CB 1.689 39.554 38.000 -0.224 0.000 1.315 168 I HN 0.383 nan 8.210 nan 0.000 0.451 169 G N 3.702 112.504 108.800 0.003 0.000 2.562 169 G HA2 0.500 4.493 3.960 0.055 0.000 0.275 169 G HA3 0.500 4.493 3.960 0.055 0.000 0.275 169 G C 0.470 175.586 174.900 0.360 0.000 1.196 169 G CA -0.243 44.952 45.100 0.158 0.000 0.908 169 G HN 0.740 nan 8.290 nan 0.000 0.524 170 G N -1.614 107.395 108.800 0.349 0.000 2.447 170 G HA2 0.452 4.445 3.960 0.055 0.000 0.269 170 G HA3 0.452 4.445 3.960 0.055 0.000 0.269 170 G C -0.119 174.988 174.900 0.345 0.000 1.455 170 G CA 0.019 45.322 45.100 0.339 0.000 1.061 170 G HN 0.741 nan 8.290 nan 0.000 0.545 171 Q N -1.487 118.425 119.800 0.186 0.000 2.507 171 Q HA 0.232 4.605 4.340 0.055 0.000 0.248 171 Q C -1.926 174.146 176.000 0.120 0.000 0.941 171 Q CA -0.612 55.291 55.803 0.167 0.000 1.003 171 Q CB 1.759 30.372 28.738 -0.208 0.000 1.517 171 Q HN 0.542 nan 8.270 nan 0.000 0.443 172 E N 1.962 122.182 120.200 0.033 0.000 2.200 172 E HA 0.211 4.594 4.350 0.055 0.000 0.283 172 E C -0.033 176.618 176.600 0.085 0.000 1.015 172 E CA 0.266 56.572 56.400 -0.156 0.000 0.819 172 E CB 0.630 29.938 29.700 -0.653 0.000 1.081 172 E HN 0.671 nan 8.360 nan 0.000 0.397 173 H N 4.338 123.400 119.070 -0.014 0.000 2.272 173 H HA -0.188 4.402 4.556 0.056 0.000 0.289 173 H C 0.312 175.530 175.328 -0.183 0.000 1.100 173 H CA 2.055 57.871 56.048 -0.388 0.000 1.209 173 H CB -0.436 28.930 29.762 -0.660 0.000 1.348 173 H HN 0.695 nan 8.280 nan 0.000 0.481 174 F N 0.135 119.852 119.950 -0.388 0.000 3.004 174 F HA -0.262 4.299 4.527 0.057 0.000 0.264 174 F C -0.646 175.097 175.800 -0.095 0.000 0.979 174 F CA -0.368 57.485 58.000 -0.245 0.000 0.896 174 F CB -1.667 37.334 39.000 0.001 0.000 0.813 174 F HN 0.194 nan 8.300 nan 0.000 0.804 175 Y N -0.158 120.280 120.300 0.230 0.000 2.721 175 Y HA 0.132 4.717 4.550 0.059 0.000 0.329 175 Y C 1.031 176.968 175.900 0.061 0.000 1.211 175 Y CA -1.098 57.169 58.100 0.278 0.000 1.512 175 Y CB -0.012 38.556 38.460 0.180 0.000 1.249 175 Y HN 0.153 nan 8.280 nan 0.000 0.549 176 L N 1.535 122.932 121.223 0.290 0.000 2.083 176 L HA -0.100 4.272 4.340 0.055 0.000 0.209 176 L C 1.189 178.077 176.870 0.030 0.000 1.083 176 L CA 1.430 56.348 54.840 0.129 0.000 0.752 176 L CB -0.704 41.424 42.059 0.116 0.000 0.899 176 L HN 0.871 nan 8.230 nan 0.000 0.433 177 E N 0.324 120.524 120.200 0.001 0.000 2.152 177 E HA 0.260 4.643 4.350 0.055 0.000 0.285 177 E C 0.147 176.718 176.600 -0.048 0.000 1.043 177 E CA -0.250 56.093 56.400 -0.095 0.000 0.839 177 E CB 0.903 30.484 29.700 -0.199 0.000 1.069 177 E HN 0.235 nan 8.360 nan 0.000 0.399 178 G N 3.590 112.377 108.800 -0.022 0.000 2.667 178 G HA2 -0.029 3.964 3.960 0.055 0.000 0.250 178 G HA3 -0.029 3.964 3.960 0.055 0.000 0.250 178 G C 0.052 174.844 174.900 -0.180 0.000 1.212 178 G CA -0.527 44.587 45.100 0.023 0.000 0.874 178 G HN 0.568 nan 8.290 nan 0.000 0.561 179 Q N -0.792 118.899 119.800 -0.182 0.000 2.369 179 Q HA 0.394 4.767 4.340 0.055 0.000 0.295 179 Q C 0.196 176.036 176.000 -0.267 0.000 1.075 179 Q CA 0.933 56.568 55.803 -0.279 0.000 0.941 179 Q CB 1.071 29.658 28.738 -0.251 0.000 1.260 179 Q HN 0.853 nan 8.270 nan 0.000 0.417 180 A N 0.248 122.915 122.820 -0.255 0.000 2.590 180 A HA 0.750 5.102 4.320 0.055 0.000 0.296 180 A C -1.729 175.771 177.584 -0.140 0.000 1.050 180 A CA 0.063 51.988 52.037 -0.188 0.000 0.697 180 A CB 1.271 20.197 19.000 -0.123 0.000 1.277 180 A HN 0.796 nan 8.150 nan 0.000 0.411 181 A N 0.128 122.878 122.820 -0.116 0.000 2.610 181 A HA 0.925 5.278 4.320 0.055 0.000 0.291 181 A C -1.964 175.587 177.584 -0.054 0.000 1.086 181 A CA -0.290 51.702 52.037 -0.075 0.000 0.677 181 A CB 1.489 20.435 19.000 -0.090 0.000 1.278 181 A HN 2.381 nan 8.150 nan 0.000 0.414 182 L N 0.292 121.506 121.223 -0.015 0.000 2.505 182 L HA 0.847 5.219 4.340 0.055 0.000 0.266 182 L C -0.603 176.277 176.870 0.016 0.000 0.954 182 L CA 0.068 54.907 54.840 -0.001 0.000 0.852 182 L CB 1.731 43.806 42.059 0.026 0.000 1.282 182 L HN 1.588 nan 8.230 nan 0.000 0.403 183 A N 5.793 128.602 122.820 -0.019 0.000 2.318 183 A HA 0.825 5.178 4.320 0.055 0.000 0.317 183 A C -1.432 176.142 177.584 -0.015 0.000 1.159 183 A CA -0.427 51.592 52.037 -0.030 0.000 0.799 183 A CB 0.913 19.881 19.000 -0.055 0.000 1.194 183 A HN 0.698 nan 8.150 nan 0.000 0.479 184 L N 4.545 125.763 121.223 -0.008 0.000 2.318 184 L HA 0.382 4.755 4.340 0.055 0.000 0.277 184 L C -2.239 174.622 176.870 -0.015 0.000 1.008 184 L CA -2.092 52.749 54.840 0.001 0.000 0.846 184 L CB 1.968 44.047 42.059 0.034 0.000 1.220 184 L HN 0.478 nan 8.230 nan 0.000 0.423 185 P HA 0.046 nan 4.420 nan 0.000 0.263 185 P C -0.703 176.591 177.300 -0.009 0.000 1.195 185 P CA 0.017 63.110 63.100 -0.011 0.000 0.762 185 P CB 1.032 32.730 31.700 -0.004 0.000 0.799 186 A N 3.394 126.206 122.820 -0.013 0.000 2.745 186 A HA 0.324 4.677 4.320 0.055 0.000 0.301 186 A C -0.166 177.410 177.584 -0.014 0.000 1.188 186 A CA -0.695 51.334 52.037 -0.014 0.000 0.746 186 A CB -0.096 18.892 19.000 -0.020 0.000 1.207 186 A HN 0.568 nan 8.150 nan 0.000 0.432 187 E N 1.209 121.404 120.200 -0.009 0.000 0.749 187 E HA -0.096 4.287 4.350 0.055 0.000 0.362 187 E C 1.282 177.876 176.600 -0.010 0.000 0.686 187 E CA 1.185 57.580 56.400 -0.007 0.000 1.367 187 E CB -0.733 28.961 29.700 -0.009 0.000 0.330 187 E HN 2.044 nan 8.360 nan 0.000 0.366 188 G N 1.597 110.395 108.800 -0.004 0.000 2.498 188 G HA2 -0.299 3.694 3.960 0.055 0.000 0.229 188 G HA3 -0.299 3.694 3.960 0.055 0.000 0.229 188 G C 0.587 175.486 174.900 -0.002 0.000 1.156 188 G CA 0.216 45.315 45.100 -0.002 0.000 0.680 188 G HN 1.172 nan 8.290 nan 0.000 0.512 189 G N -1.423 107.371 108.800 -0.010 0.000 3.175 189 G HA2 0.779 4.772 3.960 0.055 0.000 0.255 189 G HA3 0.779 4.772 3.960 0.055 0.000 0.255 189 G C -1.059 173.827 174.900 -0.023 0.000 1.352 189 G CA 0.298 45.390 45.100 -0.013 0.000 1.037 189 G HN 1.410 nan 8.290 nan 0.000 0.556 190 V N -1.424 118.468 119.914 -0.036 0.000 3.078 190 V HA 0.743 4.896 4.120 0.055 0.000 0.311 190 V C -1.214 174.838 176.094 -0.071 0.000 1.138 190 V CA -0.637 61.634 62.300 -0.048 0.000 1.007 190 V CB 2.266 34.057 31.823 -0.053 0.000 1.045 190 V HN 0.581 nan 8.190 nan 0.000 0.432 191 V N 6.001 125.866 119.914 -0.082 0.000 2.487 191 V HA 0.579 4.732 4.120 0.055 0.000 0.298 191 V C -0.704 175.288 176.094 -0.170 0.000 1.028 191 V CA -0.583 61.634 62.300 -0.139 0.000 0.860 191 V CB 1.719 33.461 31.823 -0.135 0.000 0.991 191 V HN 0.631 nan 8.190 nan 0.000 0.427 192 I N 4.417 124.852 120.570 -0.225 0.000 2.378 192 I HA 0.493 4.696 4.170 0.055 0.000 0.291 192 I C -0.188 175.739 176.117 -0.316 0.000 0.992 192 I CA -0.465 60.719 61.300 -0.193 0.000 1.154 192 I CB 1.433 39.351 38.000 -0.137 0.000 1.315 192 I HN 0.566 nan 8.210 nan 0.000 0.448 193 H N 5.133 124.168 119.070 -0.057 0.000 2.457 193 H HA 0.634 5.176 4.556 -0.024 0.000 0.335 193 H C -0.276 175.015 175.328 -0.062 0.000 1.115 193 H CA -0.303 55.713 56.048 -0.054 0.000 1.219 193 H CB 2.516 32.248 29.762 -0.049 0.000 1.471 193 H HN 0.842 nan 8.280 nan 0.000 0.491 194 C N 0.396 119.724 119.300 0.047 0.000 3.312 194 C HA 0.381 4.874 4.460 0.055 0.000 0.332 194 C C 0.507 175.483 174.990 -0.023 0.000 1.340 194 C CA -1.103 57.909 59.018 -0.011 0.000 1.265 194 C CB 1.294 29.006 27.740 -0.047 0.000 1.563 194 C HN 0.716 nan 8.230 nan 0.000 0.471 195 S N 1.617 117.280 115.700 -0.061 0.000 3.869 195 S HA 0.538 5.041 4.470 0.055 0.000 0.241 195 S C -0.021 174.514 174.600 -0.108 0.000 1.363 195 S CA 0.277 58.429 58.200 -0.081 0.000 0.894 195 S CB -1.021 62.105 63.200 -0.124 0.000 1.519 195 S HN 1.185 nan 8.310 nan 0.000 0.470 196 S N 2.603 118.261 115.700 -0.069 0.000 2.542 196 S HA 0.406 4.909 4.470 0.055 0.000 0.293 196 S C 0.556 175.135 174.600 -0.036 0.000 1.089 196 S CA -0.644 57.521 58.200 -0.059 0.000 0.961 196 S CB 1.572 64.750 63.200 -0.037 0.000 1.062 196 S HN 0.680 nan 8.310 nan 0.000 0.483 197 Q N 1.360 121.144 119.800 -0.027 0.000 2.451 197 Q HA 0.104 4.477 4.340 0.055 0.000 0.206 197 Q C -0.038 175.992 176.000 0.051 0.000 0.947 197 Q CA 0.545 56.341 55.803 -0.012 0.000 0.937 197 Q CB 0.100 28.821 28.738 -0.028 0.000 1.025 197 Q HN 0.762 nan 8.270 nan 0.000 0.511 198 H N -0.439 118.606 119.070 -0.041 0.000 2.439 198 H HA 0.150 4.738 4.556 0.053 0.000 0.228 198 H C -2.162 173.138 175.328 -0.047 0.000 1.423 198 H CA -2.195 53.830 56.048 -0.038 0.000 1.386 198 H CB 1.097 30.836 29.762 -0.038 0.000 1.641 198 H HN -0.021 nan 8.280 nan 0.000 0.508 199 P HA -0.164 nan 4.420 nan 0.000 0.216 199 P C 1.455 178.742 177.300 -0.022 0.000 1.150 199 P CA 1.222 64.336 63.100 0.024 0.000 0.843 199 P CB 0.375 32.084 31.700 0.016 0.000 0.787 200 S N -0.531 115.208 115.700 0.066 0.000 2.382 200 S HA -0.192 4.311 4.470 0.055 0.000 0.228 200 S C 1.963 176.444 174.600 -0.199 0.000 1.027 200 S CA 1.265 59.458 58.200 -0.013 0.000 0.991 200 S CB -0.710 62.571 63.200 0.135 0.000 0.823 200 S HN 0.353 nan 8.310 nan 0.000 0.469 201 E N 0.797 120.675 120.200 -0.537 0.000 2.152 201 E HA -0.070 4.313 4.350 0.055 0.000 0.192 201 E C 1.781 178.191 176.600 -0.317 0.000 0.983 201 E CA 0.698 56.743 56.400 -0.591 0.000 0.818 201 E CB -0.016 29.063 29.700 -1.035 0.000 0.758 201 E HN 0.311 nan 8.360 nan 0.000 0.467 202 I N 1.359 121.780 120.570 -0.247 0.000 2.286 202 I HA -0.268 3.935 4.170 0.055 0.000 0.248 202 I C 2.550 178.552 176.117 -0.193 0.000 1.115 202 I CA 1.430 62.629 61.300 -0.168 0.000 1.392 202 I CB -1.125 36.802 38.000 -0.121 0.000 1.065 202 I HN 0.388 nan 8.210 nan 0.000 0.418 203 Q N 0.288 119.945 119.800 -0.238 0.000 2.046 203 Q HA -0.264 4.109 4.340 0.055 0.000 0.200 203 Q C 2.349 178.021 176.000 -0.546 0.000 0.975 203 Q CA 1.797 57.400 55.803 -0.332 0.000 0.836 203 Q CB -0.198 28.354 28.738 -0.310 0.000 0.896 203 Q HN 0.583 nan 8.270 nan 0.000 0.428 204 H N 0.032 118.663 119.070 -0.731 0.000 2.289 204 H HA -0.145 4.443 4.556 0.053 0.000 0.296 204 H C 1.943 177.003 175.328 -0.446 0.000 1.091 204 H CA 1.938 57.465 56.048 -0.868 0.000 1.274 204 H CB 0.328 29.862 29.762 -0.380 0.000 1.364 204 H HN 0.025 nan 8.280 nan 0.000 0.490 205 K N 0.100 120.495 120.400 -0.009 0.000 2.025 205 K HA -0.074 4.279 4.320 0.055 0.000 0.207 205 K C 2.381 178.972 176.600 -0.015 0.000 1.049 205 K CA 1.016 57.327 56.287 0.040 0.000 0.933 205 K CB -0.663 31.808 32.500 -0.048 0.000 0.714 205 K HN 0.229 nan 8.250 nan 0.000 0.438 206 V N 1.716 121.569 119.914 -0.101 0.000 2.407 206 V HA -0.239 3.914 4.120 0.055 0.000 0.248 206 V C 2.442 178.473 176.094 -0.105 0.000 1.055 206 V CA 1.854 64.098 62.300 -0.094 0.000 1.049 206 V CB -0.759 30.994 31.823 -0.116 0.000 0.662 206 V HN 0.286 nan 8.190 nan 0.000 0.455 207 A N -0.681 122.016 122.820 -0.205 0.000 1.865 207 A HA -0.293 4.059 4.320 0.055 0.000 0.217 207 A C 2.003 179.510 177.584 -0.127 0.000 1.191 207 A CA 2.330 54.236 52.037 -0.219 0.000 0.623 207 A CB -0.935 17.824 19.000 -0.402 0.000 0.826 207 A HN 0.702 nan 8.150 nan 0.000 0.444 208 H N -0.801 118.267 119.070 -0.003 0.000 2.353 208 H HA 0.042 4.632 4.556 0.057 0.000 0.300 208 H C 2.483 177.827 175.328 0.025 0.000 1.090 208 H CA 1.010 57.077 56.048 0.033 0.000 1.327 208 H CB -0.046 29.776 29.762 0.100 0.000 1.383 208 H HN 0.550 nan 8.280 nan 0.000 0.508 209 A N 0.653 123.558 122.820 0.142 0.000 1.948 209 A HA -0.172 4.180 4.320 0.055 0.000 0.220 209 A C 2.142 179.795 177.584 0.115 0.000 1.177 209 A CA 1.530 53.633 52.037 0.110 0.000 0.636 209 A CB -0.560 18.471 19.000 0.052 0.000 0.815 209 A HN 0.370 nan 8.150 nan 0.000 0.449 210 L N -2.176 119.062 121.223 0.025 0.000 2.554 210 L HA 0.237 4.609 4.340 0.055 0.000 0.225 210 L C 1.682 178.412 176.870 -0.233 0.000 1.104 210 L CA 0.530 55.365 54.840 -0.007 0.000 0.866 210 L CB 0.048 42.087 42.059 -0.032 0.000 1.047 210 L HN 0.599 nan 8.230 nan 0.000 0.468 211 G N 0.742 109.268 108.800 -0.457 0.000 2.143 211 G HA2 -0.263 3.729 3.960 0.055 0.000 0.249 211 G HA3 -0.263 3.729 3.960 0.055 0.000 0.249 211 G C 0.091 174.811 174.900 -0.299 0.000 0.981 211 G CA -0.080 44.559 45.100 -0.768 0.000 0.665 211 G HN 0.201 nan 8.290 nan 0.000 0.528 212 L N 0.492 121.616 121.223 -0.164 0.000 2.343 212 L HA 0.757 5.130 4.340 0.055 0.000 0.275 212 L C 1.192 178.029 176.870 -0.056 0.000 1.056 212 L CA -0.545 54.248 54.840 -0.078 0.000 0.804 212 L CB 1.424 43.457 42.059 -0.043 0.000 1.203 212 L HN 0.294 nan 8.230 nan 0.000 0.440 213 A N 1.189 123.970 122.820 -0.064 0.000 2.425 213 A HA 0.169 4.522 4.320 0.055 0.000 0.242 213 A C 0.783 178.378 177.584 0.018 0.000 1.077 213 A CA -0.100 51.847 52.037 -0.150 0.000 0.781 213 A CB -0.004 18.720 19.000 -0.460 0.000 1.020 213 A HN 0.621 nan 8.150 nan 0.000 0.494 214 F N 0.920 120.690 119.950 -0.301 0.000 2.126 214 F HA -0.198 4.363 4.527 0.057 0.000 0.299 214 F C 2.339 178.101 175.800 -0.063 0.000 1.096 214 F CA 2.154 60.033 58.000 -0.202 0.000 1.255 214 F CB -1.232 37.642 39.000 -0.210 0.000 0.997 214 F HN 0.889 nan 8.300 nan 0.000 0.479 215 H N -2.008 117.122 119.070 0.101 0.000 2.570 215 H HA -0.045 4.543 4.556 0.054 0.000 0.280 215 H C 0.390 175.717 175.328 -0.002 0.000 1.038 215 H CA 0.776 56.842 56.048 0.030 0.000 1.186 215 H CB -0.349 29.418 29.762 0.008 0.000 1.339 215 H HN 0.230 nan 8.280 nan 0.000 0.615 216 D N 1.158 121.714 120.400 0.261 0.000 2.431 216 D HA 0.159 4.832 4.640 0.055 0.000 0.213 216 D C -0.459 175.851 176.300 0.016 0.000 1.130 216 D CA 0.068 54.137 54.000 0.115 0.000 0.834 216 D CB 1.359 42.233 40.800 0.123 0.000 0.985 216 D HN 0.161 nan 8.370 nan 0.000 0.504 217 V N 1.163 121.071 119.914 -0.011 0.000 2.531 217 V HA 0.407 4.559 4.120 0.055 0.000 0.301 217 V C -0.117 175.926 176.094 -0.084 0.000 1.034 217 V CA -0.836 61.418 62.300 -0.077 0.000 0.865 217 V CB 2.922 34.659 31.823 -0.143 0.000 0.995 217 V HN -0.106 nan 8.190 nan 0.000 0.424 218 R N 3.165 123.606 120.500 -0.098 0.000 2.621 218 R HA 0.818 5.191 4.340 0.055 0.000 0.292 218 R C -2.008 174.207 176.300 -0.141 0.000 0.969 218 R CA -0.447 55.592 56.100 -0.102 0.000 0.887 218 R CB 2.286 32.531 30.300 -0.091 0.000 1.180 218 R HN 0.526 nan 8.270 nan 0.000 0.450 219 V N 3.882 123.720 119.914 -0.128 0.000 2.407 219 V HA 0.358 4.511 4.120 0.055 0.000 0.291 219 V C -0.572 175.447 176.094 -0.125 0.000 1.018 219 V CA -0.742 61.473 62.300 -0.141 0.000 0.842 219 V CB 1.571 33.327 31.823 -0.111 0.000 0.996 219 V HN 0.796 nan 8.190 nan 0.000 0.426 220 E N 4.456 124.549 120.200 -0.179 0.000 2.195 220 E HA 0.796 5.178 4.350 0.055 0.000 0.271 220 E C -0.731 175.855 176.600 -0.023 0.000 0.923 220 E CA -0.893 55.446 56.400 -0.102 0.000 0.790 220 E CB 2.442 32.067 29.700 -0.123 0.000 1.155 220 E HN 0.618 nan 8.360 nan 0.000 0.402 221 M N 2.217 121.826 119.600 0.015 0.000 2.298 221 M HA 0.297 4.810 4.480 0.055 0.000 0.255 221 M C -0.924 175.394 176.300 0.031 0.000 1.021 221 M CA -0.393 54.925 55.300 0.030 0.000 0.968 221 M CB 1.594 34.197 32.600 0.004 0.000 2.037 221 M HN 0.330 nan 8.290 nan 0.000 0.478 222 R N 3.198 123.715 120.500 0.029 0.000 2.156 222 R HA 0.486 4.859 4.340 0.055 0.000 0.207 222 R C -0.442 175.892 176.300 0.057 0.000 1.040 222 R CA 1.757 57.874 56.100 0.027 0.000 1.013 222 R CB 0.498 30.788 30.300 -0.017 0.000 0.931 222 R HN 0.804 nan 8.270 nan 0.000 0.465 223 R N -1.611 118.899 120.500 0.017 0.000 2.833 223 R HA 0.298 4.670 4.340 0.055 0.000 0.259 223 R C -1.541 174.790 176.300 0.052 0.000 1.047 223 R CA -0.687 55.431 56.100 0.031 0.000 0.916 223 R CB 0.429 30.735 30.300 0.011 0.000 1.259 223 R HN -0.018 nan 8.270 nan 0.000 0.482 224 M N 1.193 120.840 119.600 0.079 0.000 2.436 224 M HA 0.406 4.919 4.480 0.055 0.000 0.331 224 M C 0.764 177.177 176.300 0.187 0.000 1.135 224 M CA -0.579 54.779 55.300 0.096 0.000 0.987 224 M CB 2.291 34.863 32.600 -0.046 0.000 1.687 224 M HN 0.922 nan 8.290 nan 0.000 0.445 225 G N 1.956 110.856 108.800 0.168 0.000 3.197 225 G HA2 0.456 4.449 3.960 0.055 0.000 0.257 225 G HA3 0.456 4.449 3.960 0.055 0.000 0.257 225 G C 0.413 175.297 174.900 -0.027 0.000 0.835 225 G CA 0.366 45.429 45.100 -0.061 0.000 2.001 225 G HN 1.103 nan 8.290 nan 0.000 0.625 226 G N -1.265 107.501 108.800 -0.056 0.000 2.719 226 G HA2 0.368 4.360 3.960 0.055 0.000 0.686 226 G HA3 0.368 4.360 3.960 0.055 0.000 0.686 226 G C 0.535 175.303 174.900 -0.219 0.000 1.201 226 G CA -0.269 44.729 45.100 -0.169 0.000 0.768 226 G HN 1.295 nan 8.290 nan 0.000 0.629 227 G N -0.684 107.817 108.800 -0.497 0.000 2.625 227 G HA2 0.527 4.520 3.960 0.055 0.000 0.215 227 G HA3 0.527 4.520 3.960 0.055 0.000 0.215 227 G C 0.774 175.647 174.900 -0.045 0.000 1.465 227 G CA 0.813 45.782 45.100 -0.218 0.000 0.567 227 G HN 1.795 nan 8.290 nan 0.000 1.088 228 F N 1.121 121.074 119.950 0.005 0.000 3.097 228 F HA -0.158 4.403 4.527 0.057 0.000 0.278 228 F C 1.975 177.737 175.800 -0.064 0.000 0.917 228 F CA 1.050 59.024 58.000 -0.043 0.000 0.962 228 F CB -1.606 37.311 39.000 -0.138 0.000 0.964 228 F HN 1.196 nan 8.300 nan 0.000 0.668 229 G N -1.272 107.567 108.800 0.065 0.000 2.317 229 G HA2 -0.240 3.753 3.960 0.055 0.000 0.227 229 G HA3 -0.240 3.753 3.960 0.055 0.000 0.227 229 G C 1.333 176.215 174.900 -0.030 0.000 1.042 229 G CA 0.322 45.485 45.100 0.105 0.000 0.623 229 G HN 1.234 nan 8.290 nan 0.000 0.509 230 G N 0.429 109.005 108.800 -0.373 0.000 2.475 230 G HA2 -0.056 3.936 3.960 0.055 0.000 0.220 230 G HA3 -0.056 3.936 3.960 0.055 0.000 0.220 230 G C 1.306 176.079 174.900 -0.211 0.000 1.125 230 G CA 1.600 46.252 45.100 -0.747 0.000 0.755 230 G HN 0.588 nan 8.290 nan 0.000 0.565 231 K N -0.069 120.236 120.400 -0.159 0.000 2.493 231 K HA 0.219 4.572 4.320 0.055 0.000 0.207 231 K C 1.526 178.100 176.600 -0.042 0.000 1.033 231 K CA -0.122 56.085 56.287 -0.134 0.000 1.161 231 K CB 0.637 33.008 32.500 -0.214 0.000 0.873 231 K HN 0.344 nan 8.250 nan 0.000 0.491 232 E N 0.551 120.754 120.200 0.004 0.000 2.274 232 E HA -0.125 4.258 4.350 0.055 0.000 0.194 232 E C 1.097 177.759 176.600 0.102 0.000 0.996 232 E CA 1.418 57.861 56.400 0.072 0.000 0.840 232 E CB 0.379 30.145 29.700 0.110 0.000 0.772 232 E HN 0.282 nan 8.360 nan 0.000 0.491 233 S N -1.883 113.861 115.700 0.074 0.000 2.456 233 S HA 0.042 4.544 4.470 0.055 0.000 0.282 233 S C 1.308 175.962 174.600 0.089 0.000 1.057 233 S CA -0.589 57.653 58.200 0.069 0.000 1.321 233 S CB -0.018 63.228 63.200 0.076 0.000 1.117 233 S HN 0.023 nan 8.310 nan 0.000 0.584 234 Q N 1.784 121.638 119.800 0.089 0.000 2.500 234 Q HA 0.167 4.540 4.340 0.055 0.000 0.213 234 Q C 1.782 177.866 176.000 0.139 0.000 0.974 234 Q CA 1.207 57.094 55.803 0.140 0.000 0.918 234 Q CB -0.833 27.970 28.738 0.108 0.000 0.980 234 Q HN 0.740 nan 8.270 nan 0.000 0.505 235 G N 0.956 109.788 108.800 0.053 0.000 2.534 235 G HA2 -0.199 3.794 3.960 0.055 0.000 0.217 235 G HA3 -0.199 3.794 3.960 0.055 0.000 0.217 235 G C 1.272 176.202 174.900 0.050 0.000 1.128 235 G CA 0.140 45.242 45.100 0.003 0.000 0.784 235 G HN 0.419 nan 8.290 nan 0.000 0.542 236 N N 0.220 118.978 118.700 0.097 0.000 2.061 236 N HA -0.170 4.603 4.740 0.055 0.000 0.193 236 N C 1.843 177.398 175.510 0.076 0.000 1.030 236 N CA 1.268 54.344 53.050 0.044 0.000 0.856 236 N CB -0.230 38.243 38.487 -0.024 0.000 1.023 236 N HN 0.380 nan 8.380 nan 0.000 0.424 237 H N 0.513 119.661 119.070 0.129 0.000 2.387 237 H HA -0.016 4.572 4.556 0.054 0.000 0.299 237 H C 1.996 177.480 175.328 0.259 0.000 1.090 237 H CA 0.810 57.007 56.048 0.248 0.000 1.332 237 H CB -0.243 29.739 29.762 0.366 0.000 1.386 237 H HN 0.111 nan 8.280 nan 0.000 0.516 238 L N 0.015 121.380 121.223 0.237 0.000 2.005 238 L HA -0.114 4.258 4.340 0.055 0.000 0.207 238 L C 2.678 179.532 176.870 -0.026 0.000 1.072 238 L CA 1.538 56.382 54.840 0.006 0.000 0.744 238 L CB -0.761 41.184 42.059 -0.191 0.000 0.895 238 L HN 0.313 nan 8.230 nan 0.000 0.433 239 A N -0.045 122.762 122.820 -0.022 0.000 1.858 239 A HA -0.187 4.165 4.320 0.055 0.000 0.216 239 A C 2.309 179.869 177.584 -0.039 0.000 1.190 239 A CA 1.841 53.850 52.037 -0.047 0.000 0.617 239 A CB -0.889 18.076 19.000 -0.058 0.000 0.827 239 A HN 0.335 nan 8.150 nan 0.000 0.443 240 I N 0.007 120.570 120.570 -0.012 0.000 2.118 240 I HA -0.371 3.832 4.170 0.055 0.000 0.241 240 I C 3.002 179.109 176.117 -0.017 0.000 1.070 240 I CA 1.373 62.669 61.300 -0.008 0.000 1.327 240 I CB -0.429 37.576 38.000 0.009 0.000 1.034 240 I HN 0.373 nan 8.210 nan 0.000 0.405 241 A N -0.163 122.669 122.820 0.020 0.000 1.892 241 A HA -0.291 4.062 4.320 0.055 0.000 0.218 241 A C 2.463 179.961 177.584 -0.144 0.000 1.188 241 A CA 2.259 54.265 52.037 -0.052 0.000 0.631 241 A CB -1.405 17.538 19.000 -0.095 0.000 0.822 241 A HN 0.587 nan 8.150 nan 0.000 0.447 242 C N -1.346 117.884 119.300 -0.117 0.000 2.432 242 C HA 0.077 4.570 4.460 0.055 0.000 0.277 242 C C 3.347 178.271 174.990 -0.110 0.000 1.249 242 C CA 0.791 59.739 59.018 -0.117 0.000 1.725 242 C CB -1.421 26.262 27.740 -0.095 0.000 2.028 242 C HN 0.719 nan 8.230 nan 0.000 0.477 243 A N 0.458 123.224 122.820 -0.091 0.000 1.841 243 A HA -0.137 4.215 4.320 0.055 0.000 0.216 243 A C 2.299 179.831 177.584 -0.087 0.000 1.199 243 A CA 2.439 54.431 52.037 -0.076 0.000 0.621 243 A CB -1.078 17.884 19.000 -0.063 0.000 0.835 243 A HN 0.335 nan 8.150 nan 0.000 0.445 244 V N 0.014 119.862 119.914 -0.110 0.000 2.250 244 V HA -0.335 3.817 4.120 0.055 0.000 0.250 244 V C 3.057 178.993 176.094 -0.263 0.000 1.060 244 V CA 2.358 64.569 62.300 -0.149 0.000 1.030 244 V CB -1.391 30.330 31.823 -0.170 0.000 0.643 244 V HN 0.657 nan 8.190 nan 0.000 0.445 245 A N -0.480 122.098 122.820 -0.403 0.000 2.019 245 A HA -0.061 4.292 4.320 0.055 0.000 0.219 245 A C 2.359 179.891 177.584 -0.086 0.000 1.164 245 A CA 2.056 53.849 52.037 -0.407 0.000 0.644 245 A CB -0.620 18.167 19.000 -0.355 0.000 0.805 245 A HN 0.609 nan 8.150 nan 0.000 0.449 246 A N -0.169 122.606 122.820 -0.076 0.000 1.872 246 A HA -0.081 4.272 4.320 0.055 0.000 0.214 246 A C 2.193 179.781 177.584 0.006 0.000 1.187 246 A CA 1.502 53.525 52.037 -0.024 0.000 0.614 246 A CB -0.496 18.482 19.000 -0.036 0.000 0.826 246 A HN 0.544 nan 8.150 nan 0.000 0.442 247 R N -0.248 120.251 120.500 -0.001 0.000 2.117 247 R HA -0.175 4.198 4.340 0.055 0.000 0.243 247 R C 2.117 178.456 176.300 0.065 0.000 1.143 247 R CA 1.790 57.907 56.100 0.029 0.000 0.968 247 R CB -0.352 29.966 30.300 0.031 0.000 0.863 247 R HN 0.455 nan 8.270 nan 0.000 0.444 248 A N -0.211 122.669 122.820 0.100 0.000 1.850 248 A HA -0.083 4.269 4.320 0.055 0.000 0.212 248 A C 2.206 179.882 177.584 0.152 0.000 1.208 248 A CA 1.534 53.679 52.037 0.180 0.000 0.609 248 A CB -0.934 18.298 19.000 0.387 0.000 0.860 248 A HN 0.590 nan 8.150 nan 0.000 0.448 249 T N -3.595 111.057 114.554 0.162 0.000 2.962 249 T HA 0.279 4.662 4.350 0.055 0.000 0.270 249 T C 1.659 176.400 174.700 0.069 0.000 1.088 249 T CA 1.413 63.585 62.100 0.119 0.000 1.127 249 T CB -0.367 68.571 68.868 0.117 0.000 0.883 249 T HN 1.764 nan 8.240 nan 0.000 0.493 250 G N 1.867 110.701 108.800 0.055 0.000 2.234 250 G HA2 -0.289 3.704 3.960 0.055 0.000 0.260 250 G HA3 -0.289 3.704 3.960 0.055 0.000 0.260 250 G C 0.245 175.159 174.900 0.024 0.000 0.987 250 G CA 0.224 45.346 45.100 0.035 0.000 0.625 250 G HN 0.809 nan 8.290 nan 0.000 0.532 251 R N 0.841 121.355 120.500 0.023 0.000 2.828 251 R HA 0.614 4.987 4.340 0.055 0.000 0.264 251 R C -2.643 173.653 176.300 -0.007 0.000 1.022 251 R CA -2.165 53.941 56.100 0.010 0.000 1.021 251 R CB 1.141 31.449 30.300 0.013 0.000 1.163 251 R HN 0.086 nan 8.270 nan 0.000 0.494 252 P HA -0.025 nan 4.420 nan 0.000 0.268 252 P C -0.595 176.664 177.300 -0.069 0.000 1.208 252 P CA -0.203 62.875 63.100 -0.037 0.000 0.777 252 P CB 0.463 32.142 31.700 -0.035 0.000 0.875 253 C N 2.267 121.515 119.300 -0.087 0.000 2.481 253 C HA 0.470 4.963 4.460 0.055 0.000 0.324 253 C C 0.155 175.058 174.990 -0.145 0.000 1.170 253 C CA -0.423 58.519 59.018 -0.126 0.000 1.361 253 C CB 1.474 29.158 27.740 -0.093 0.000 1.977 253 C HN 0.558 nan 8.230 nan 0.000 0.459 254 K N 2.878 123.143 120.400 -0.224 0.000 2.203 254 K HA 0.818 5.171 4.320 0.055 0.000 0.251 254 K C -1.178 175.368 176.600 -0.089 0.000 0.944 254 K CA -0.499 55.694 56.287 -0.156 0.000 0.829 254 K CB 1.623 34.027 32.500 -0.159 0.000 1.125 254 K HN 0.835 nan 8.250 nan 0.000 0.430 255 M N 4.436 123.993 119.600 -0.070 0.000 2.206 255 M HA 0.327 4.840 4.480 0.055 0.000 0.272 255 M C -1.806 174.439 176.300 -0.092 0.000 1.012 255 M CA -0.586 54.682 55.300 -0.054 0.000 0.986 255 M CB 1.393 33.904 32.600 -0.148 0.000 1.740 255 M HN 0.622 nan 8.290 nan 0.000 0.472 256 R N 3.984 124.468 120.500 -0.027 0.000 2.480 256 R HA 0.446 4.818 4.340 0.055 0.000 0.306 256 R C -1.708 174.666 176.300 0.123 0.000 0.958 256 R CA -0.711 55.351 56.100 -0.063 0.000 0.861 256 R CB 0.934 31.169 30.300 -0.107 0.000 1.171 256 R HN 0.637 nan 8.270 nan 0.000 0.445 257 Y N 1.805 122.151 120.300 0.077 0.000 2.632 257 Y HA -0.102 4.484 4.550 0.059 0.000 0.329 257 Y C 0.805 176.779 175.900 0.124 0.000 1.174 257 Y CA -0.337 57.834 58.100 0.117 0.000 1.469 257 Y CB 0.536 39.061 38.460 0.109 0.000 1.242 257 Y HN 0.690 nan 8.280 nan 0.000 0.540 258 D N 2.669 123.279 120.400 0.349 0.000 2.443 258 D HA -0.018 4.655 4.640 0.055 0.000 0.239 258 D C 1.311 177.707 176.300 0.161 0.000 1.136 258 D CA -0.137 54.005 54.000 0.237 0.000 0.879 258 D CB 0.933 41.861 40.800 0.212 0.000 1.195 258 D HN 0.489 nan 8.370 nan 0.000 0.443 259 R N 2.148 122.713 120.500 0.110 0.000 2.112 259 R HA -0.227 4.146 4.340 0.055 0.000 0.242 259 R C 1.159 177.499 176.300 0.067 0.000 1.137 259 R CA 2.379 58.513 56.100 0.058 0.000 0.944 259 R CB -0.325 29.987 30.300 0.020 0.000 0.857 259 R HN 0.608 nan 8.270 nan 0.000 0.435 260 D N 0.112 120.573 120.400 0.101 0.000 2.106 260 D HA -0.169 4.503 4.640 0.055 0.000 0.191 260 D C 1.542 177.870 176.300 0.047 0.000 0.997 260 D CA 1.742 55.828 54.000 0.144 0.000 0.834 260 D CB -0.586 40.327 40.800 0.188 0.000 0.956 260 D HN 0.316 nan 8.370 nan 0.000 0.448 261 D N 0.351 120.754 120.400 0.004 0.000 2.149 261 D HA -0.142 4.530 4.640 0.055 0.000 0.198 261 D C 1.661 177.826 176.300 -0.226 0.000 0.990 261 D CA 0.796 54.725 54.000 -0.119 0.000 0.839 261 D CB -0.280 40.452 40.800 -0.114 0.000 0.948 261 D HN 0.225 nan 8.370 nan 0.000 0.460 262 D N -0.282 120.069 120.400 -0.081 0.000 2.097 262 D HA -0.115 4.558 4.640 0.055 0.000 0.195 262 D C 2.028 178.326 176.300 -0.002 0.000 0.989 262 D CA 0.900 54.909 54.000 0.015 0.000 0.827 262 D CB 0.095 41.007 40.800 0.186 0.000 0.966 262 D HN 0.212 nan 8.370 nan 0.000 0.456 263 M N 0.051 119.647 119.600 -0.006 0.000 2.254 263 M HA -0.075 4.438 4.480 0.055 0.000 0.265 263 M C 2.347 178.643 176.300 -0.008 0.000 1.066 263 M CA 0.544 55.835 55.300 -0.015 0.000 1.123 263 M CB -0.046 32.553 32.600 -0.002 0.000 1.388 263 M HN -0.087 nan 8.290 nan 0.000 0.425 264 V N 0.786 120.690 119.914 -0.016 0.000 2.488 264 V HA -0.176 3.976 4.120 0.055 0.000 0.246 264 V C 2.175 178.329 176.094 0.100 0.000 1.046 264 V CA 1.455 63.759 62.300 0.006 0.000 1.053 264 V CB -0.407 31.372 31.823 -0.074 0.000 0.679 264 V HN 0.377 nan 8.190 nan 0.000 0.458 265 I N 0.074 120.636 120.570 -0.012 0.000 2.296 265 I HA -0.027 4.175 4.170 0.055 0.000 0.242 265 I C 1.479 177.625 176.117 0.049 0.000 1.087 265 I CA 0.879 62.197 61.300 0.030 0.000 1.393 265 I CB -0.509 37.342 38.000 -0.249 0.000 1.093 265 I HN 0.379 nan 8.210 nan 0.000 0.421 266 T N 0.285 114.858 114.554 0.031 0.000 2.898 266 T HA 0.410 4.793 4.350 0.055 0.000 0.301 266 T C 0.525 175.263 174.700 0.063 0.000 1.049 266 T CA -0.460 61.689 62.100 0.083 0.000 1.095 266 T CB 1.125 70.097 68.868 0.174 0.000 0.976 266 T HN 0.267 nan 8.240 nan 0.000 0.539 267 G N 1.360 110.199 108.800 0.065 0.000 2.684 267 G HA2 0.506 4.498 3.960 0.055 0.000 0.255 267 G HA3 0.506 4.498 3.960 0.055 0.000 0.255 267 G C -0.391 174.605 174.900 0.161 0.000 1.219 267 G CA -0.709 44.429 45.100 0.063 0.000 0.901 267 G HN 0.824 nan 8.290 nan 0.000 0.548 268 K N -1.343 119.132 120.400 0.124 0.000 2.126 268 K HA 0.447 4.800 4.320 0.055 0.000 0.245 268 K C 0.023 176.686 176.600 0.105 0.000 1.068 268 K CA -0.920 55.457 56.287 0.149 0.000 0.877 268 K CB 1.130 33.688 32.500 0.097 0.000 1.406 268 K HN 0.375 nan 8.250 nan 0.000 0.490 269 R N 1.392 121.949 120.500 0.095 0.000 2.347 269 R HA 0.095 4.468 4.340 0.055 0.000 0.304 269 R C -0.807 175.540 176.300 0.079 0.000 1.072 269 R CA -0.189 55.945 56.100 0.057 0.000 0.980 269 R CB 0.025 30.212 30.300 -0.189 0.000 0.986 269 R HN 0.531 nan 8.270 nan 0.000 0.448 270 H N 3.068 122.193 119.070 0.092 0.000 3.237 270 H HA -0.098 4.491 4.556 0.054 0.000 0.270 270 H C -0.128 175.360 175.328 0.266 0.000 0.900 270 H CA 0.975 57.106 56.048 0.137 0.000 1.415 270 H CB 0.028 29.886 29.762 0.161 0.000 1.484 270 H HN 0.498 nan 8.280 nan 0.000 0.540 271 D N 3.528 124.092 120.400 0.273 0.000 2.382 271 D HA 0.092 4.764 4.640 0.055 0.000 0.245 271 D C -0.144 176.304 176.300 0.248 0.000 1.120 271 D CA 0.046 54.222 54.000 0.293 0.000 0.890 271 D CB 0.973 41.894 40.800 0.202 0.000 1.201 271 D HN 0.293 nan 8.370 nan 0.000 0.433 272 F N -0.102 119.855 119.950 0.012 0.000 2.546 272 F HA 0.342 4.901 4.527 0.054 0.000 0.320 272 F C 0.852 176.591 175.800 -0.101 0.000 1.076 272 F CA -1.255 56.714 58.000 -0.053 0.000 0.928 272 F CB 2.448 41.376 39.000 -0.121 0.000 1.189 272 F HN 0.061 nan 8.300 nan 0.000 0.465 273 R N 3.469 124.008 120.500 0.065 0.000 2.294 273 R HA 0.654 5.027 4.340 0.055 0.000 0.319 273 R C -1.410 174.972 176.300 0.137 0.000 0.984 273 R CA -0.413 55.708 56.100 0.035 0.000 0.861 273 R CB 0.831 31.148 30.300 0.028 0.000 1.104 273 R HN 0.682 nan 8.270 nan 0.000 0.451 274 I N 4.112 124.739 120.570 0.095 0.000 2.433 274 I HA 0.392 4.595 4.170 0.055 0.000 0.292 274 I C -0.286 176.095 176.117 0.440 0.000 1.001 274 I CA -0.730 60.772 61.300 0.337 0.000 1.119 274 I CB 1.844 40.065 38.000 0.369 0.000 1.289 274 I HN 0.518 nan 8.210 nan 0.000 0.438 275 R N 6.811 127.573 120.500 0.436 0.000 2.534 275 R HA 0.601 4.973 4.340 0.055 0.000 0.301 275 R C -1.990 174.514 176.300 0.341 0.000 0.961 275 R CA -0.455 55.815 56.100 0.283 0.000 0.871 275 R CB 1.505 31.895 30.300 0.149 0.000 1.170 275 R HN 0.600 nan 8.270 nan 0.000 0.446 276 Y N 0.055 120.458 120.300 0.172 0.000 2.534 276 Y HA 0.622 5.205 4.550 0.055 0.000 0.345 276 Y C -1.405 174.428 175.900 -0.112 0.000 1.031 276 Y CA -1.330 56.748 58.100 -0.035 0.000 1.022 276 Y CB 1.665 40.140 38.460 0.025 0.000 1.292 276 Y HN 0.502 nan 8.280 nan 0.000 0.459 277 R N 3.205 123.645 120.500 -0.100 0.000 2.532 277 R HA 0.721 5.094 4.340 0.055 0.000 0.297 277 R C -1.840 174.386 176.300 -0.124 0.000 0.984 277 R CA -0.768 55.272 56.100 -0.100 0.000 0.884 277 R CB 2.653 32.881 30.300 -0.120 0.000 1.182 277 R HN 0.926 nan 8.270 nan 0.000 0.442 278 I N 0.974 121.505 120.570 -0.065 0.000 2.582 278 I HA 0.709 4.912 4.170 0.055 0.000 0.292 278 I C -0.897 175.168 176.117 -0.085 0.000 1.066 278 I CA -0.361 60.880 61.300 -0.098 0.000 1.053 278 I CB 2.085 40.034 38.000 -0.085 0.000 1.241 278 I HN 0.709 nan 8.210 nan 0.000 0.421 279 G N 5.322 114.073 108.800 -0.081 0.000 2.571 279 G HA2 0.835 4.828 3.960 0.055 0.000 0.304 279 G HA3 0.835 4.828 3.960 0.055 0.000 0.304 279 G C -1.770 173.104 174.900 -0.044 0.000 1.314 279 G CA -0.519 44.547 45.100 -0.057 0.000 0.975 279 G HN 0.878 nan 8.290 nan 0.000 0.485 280 A N 1.365 124.181 122.820 -0.006 0.000 2.454 280 A HA 0.781 5.133 4.320 0.055 0.000 0.302 280 A C -0.187 177.429 177.584 0.052 0.000 1.079 280 A CA -0.613 51.425 52.037 0.002 0.000 0.731 280 A CB 1.523 20.506 19.000 -0.028 0.000 1.299 280 A HN 0.863 nan 8.150 nan 0.000 0.413 281 D N 0.648 121.070 120.400 0.036 0.000 2.380 281 D HA 0.390 5.063 4.640 0.055 0.000 0.254 281 D C 1.071 177.439 176.300 0.113 0.000 1.288 281 D CA 0.239 54.272 54.000 0.055 0.000 1.008 281 D CB 0.516 41.333 40.800 0.027 0.000 1.099 281 D HN 0.532 nan 8.370 nan 0.000 0.537 282 A N -0.640 122.241 122.820 0.102 0.000 2.167 282 A HA -0.006 4.347 4.320 0.055 0.000 0.214 282 A C 1.992 179.602 177.584 0.043 0.000 1.151 282 A CA 1.267 53.378 52.037 0.125 0.000 0.735 282 A CB -0.912 18.145 19.000 0.095 0.000 0.802 282 A HN 0.575 nan 8.150 nan 0.000 0.467 283 S N -1.914 113.797 115.700 0.019 0.000 2.470 283 S HA 0.340 4.843 4.470 0.055 0.000 0.225 283 S C 1.468 176.049 174.600 -0.031 0.000 1.006 283 S CA 1.256 59.453 58.200 -0.005 0.000 0.934 283 S CB -0.156 63.044 63.200 0.000 0.000 0.778 283 S HN 1.768 nan 8.310 nan 0.000 0.517 284 G N 0.567 109.345 108.800 -0.038 0.000 2.168 284 G HA2 -0.143 3.850 3.960 0.055 0.000 0.197 284 G HA3 -0.143 3.850 3.960 0.055 0.000 0.197 284 G C -0.156 174.704 174.900 -0.065 0.000 0.997 284 G CA -0.291 44.763 45.100 -0.076 0.000 0.658 284 G HN 0.404 nan 8.290 nan 0.000 0.513 285 K N 0.814 121.195 120.400 -0.031 0.000 2.298 285 K HA 0.449 4.801 4.320 0.055 0.000 0.280 285 K C 1.075 177.659 176.600 -0.026 0.000 1.032 285 K CA -0.422 55.856 56.287 -0.015 0.000 0.958 285 K CB 1.067 33.580 32.500 0.022 0.000 0.978 285 K HN 0.338 nan 8.250 nan 0.000 0.472 286 L N 4.064 125.261 121.223 -0.043 0.000 2.453 286 L HA -0.006 4.367 4.340 0.055 0.000 0.272 286 L C 1.618 178.453 176.870 -0.057 0.000 1.182 286 L CA -0.013 54.787 54.840 -0.067 0.000 0.858 286 L CB 0.113 42.114 42.059 -0.098 0.000 1.120 286 L HN 0.488 nan 8.230 nan 0.000 0.474 287 L N 2.261 123.450 121.223 -0.057 0.000 2.286 287 L HA 0.376 4.748 4.340 0.055 0.000 0.203 287 L C 0.917 177.741 176.870 -0.077 0.000 1.068 287 L CA 0.368 55.177 54.840 -0.051 0.000 0.811 287 L CB 0.039 42.078 42.059 -0.033 0.000 0.989 287 L HN 0.771 nan 8.230 nan 0.000 0.467 288 G N -0.768 107.982 108.800 -0.083 0.000 2.579 288 G HA2 0.651 4.643 3.960 0.055 0.000 0.292 288 G HA3 0.651 4.643 3.960 0.055 0.000 0.292 288 G C -2.142 172.695 174.900 -0.104 0.000 1.484 288 G CA 0.097 45.145 45.100 -0.087 0.000 0.813 288 G HN 0.058 nan 8.290 nan 0.000 0.515 289 A N 0.531 123.281 122.820 -0.116 0.000 2.408 289 A HA 0.731 5.084 4.320 0.055 0.000 0.295 289 A C -1.800 175.628 177.584 -0.261 0.000 1.040 289 A CA -0.502 51.400 52.037 -0.226 0.000 0.707 289 A CB 2.205 21.121 19.000 -0.141 0.000 1.235 289 A HN 0.647 nan 8.150 nan 0.000 0.418 290 D N 1.523 121.697 120.400 -0.377 0.000 2.481 290 D HA 0.679 5.352 4.640 0.055 0.000 0.246 290 D C -1.340 174.755 176.300 -0.341 0.000 1.109 290 D CA 0.114 53.974 54.000 -0.235 0.000 0.845 290 D CB 0.563 41.296 40.800 -0.112 0.000 1.160 290 D HN 0.246 nan 8.370 nan 0.000 0.534 291 F N 2.097 122.071 119.950 0.040 0.000 2.508 291 F HA 0.578 5.138 4.527 0.055 0.000 0.325 291 F C -0.010 175.789 175.800 -0.001 0.000 1.090 291 F CA -1.011 57.017 58.000 0.048 0.000 0.945 291 F CB 2.004 40.979 39.000 -0.042 0.000 1.156 291 F HN -0.019 nan 8.300 nan 0.000 0.463 292 V N 2.273 122.356 119.914 0.283 0.000 2.487 292 V HA 0.323 4.476 4.120 0.055 0.000 0.298 292 V C -0.804 175.497 176.094 0.345 0.000 1.028 292 V CA -0.738 61.696 62.300 0.224 0.000 0.860 292 V CB 1.647 33.581 31.823 0.185 0.000 0.991 292 V HN 0.729 nan 8.190 nan 0.000 0.427 293 H N 5.393 124.626 119.070 0.272 0.000 2.504 293 H HA 0.567 5.156 4.556 0.055 0.000 0.322 293 H C -0.803 174.615 175.328 0.150 0.000 1.055 293 H CA -0.743 55.474 56.048 0.281 0.000 1.231 293 H CB 1.481 31.451 29.762 0.347 0.000 1.417 293 H HN 0.415 nan 8.280 nan 0.000 0.472 294 L N 3.479 124.794 121.223 0.154 0.000 2.295 294 L HA 0.542 4.915 4.340 0.055 0.000 0.281 294 L C -0.213 176.435 176.870 -0.370 0.000 1.018 294 L CA -0.653 54.155 54.840 -0.055 0.000 0.841 294 L CB 1.187 43.219 42.059 -0.046 0.000 1.218 294 L HN 0.581 nan 8.230 nan 0.000 0.424 295 A N 3.919 126.419 122.820 -0.533 0.000 2.342 295 A HA 0.607 4.959 4.320 0.055 0.000 0.323 295 A C -0.431 176.965 177.584 -0.313 0.000 1.125 295 A CA -0.692 50.814 52.037 -0.884 0.000 0.785 295 A CB 1.232 19.479 19.000 -1.256 0.000 1.221 295 A HN 0.766 nan 8.150 nan 0.000 0.463 296 R N 2.432 122.815 120.500 -0.194 0.000 2.210 296 R HA 0.321 4.693 4.340 0.055 0.000 0.338 296 R C -0.446 175.869 176.300 0.026 0.000 1.062 296 R CA -0.306 55.748 56.100 -0.077 0.000 0.902 296 R CB 0.157 30.389 30.300 -0.114 0.000 1.050 296 R HN 0.756 nan 8.270 nan 0.000 0.461 297 C N 3.735 123.097 119.300 0.104 0.000 2.799 297 C HA 0.339 4.832 4.460 0.055 0.000 0.267 297 C C 1.230 176.264 174.990 0.072 0.000 1.257 297 C CA 0.351 59.481 59.018 0.186 0.000 1.702 297 C CB -1.062 26.927 27.740 0.415 0.000 1.934 297 C HN 1.161 nan 8.230 nan 0.000 0.594 298 G N 1.369 110.197 108.800 0.047 0.000 2.645 298 G HA2 -0.271 3.721 3.960 0.055 0.000 0.239 298 G HA3 -0.271 3.721 3.960 0.055 0.000 0.239 298 G C 0.469 175.508 174.900 0.232 0.000 1.331 298 G CA 0.273 45.424 45.100 0.085 0.000 0.890 298 G HN 0.613 nan 8.290 nan 0.000 0.572 299 W N 0.472 121.804 121.300 0.053 0.000 2.658 299 W HA 0.429 5.121 4.660 0.053 0.000 0.263 299 W C 0.869 177.544 176.519 0.260 0.000 1.274 299 W CA 1.249 58.679 57.345 0.141 0.000 1.343 299 W CB -1.278 28.280 29.460 0.163 0.000 1.106 299 W HN 1.365 nan 8.180 nan 0.000 0.615 300 S N -0.955 114.451 115.700 -0.490 0.000 2.627 300 S HA 0.699 5.202 4.470 0.055 0.000 0.283 300 S C 0.762 174.974 174.600 -0.646 0.000 1.127 300 S CA -0.148 57.717 58.200 -0.559 0.000 0.863 300 S CB 1.970 64.478 63.200 -1.153 0.000 1.121 300 S HN 0.105 nan 8.310 nan 0.000 0.479 301 A N 1.035 123.345 122.820 -0.850 0.000 1.902 301 A HA 0.049 4.402 4.320 0.055 0.000 0.217 301 A C 1.223 178.504 177.584 -0.504 0.000 1.181 301 A CA 2.131 53.556 52.037 -1.019 0.000 0.623 301 A CB -1.805 16.744 19.000 -0.751 0.000 0.818 301 A HN 1.274 nan 8.150 nan 0.000 0.443 302 D N -2.142 118.049 120.400 -0.347 0.000 3.899 302 D HA -0.263 4.410 4.640 0.055 0.000 0.146 302 D C 0.373 176.622 176.300 -0.084 0.000 0.820 302 D CA 2.445 56.343 54.000 -0.170 0.000 1.056 302 D CB -1.109 39.619 40.800 -0.119 0.000 0.474 302 D HN 0.219 nan 8.370 nan 0.000 0.457 303 L N 0.119 121.345 121.223 0.005 0.000 2.959 303 L HA 0.342 4.715 4.340 0.055 0.000 0.259 303 L C 1.785 178.649 176.870 -0.009 0.000 1.185 303 L CA 0.053 54.942 54.840 0.083 0.000 0.998 303 L CB 0.517 42.732 42.059 0.260 0.000 1.337 303 L HN 0.176 nan 8.230 nan 0.000 0.555 304 S N 0.695 116.371 115.700 -0.040 0.000 2.389 304 S HA -0.287 4.216 4.470 0.055 0.000 0.231 304 S C 1.882 176.371 174.600 -0.185 0.000 1.052 304 S CA 2.062 60.185 58.200 -0.128 0.000 1.053 304 S CB -0.284 62.919 63.200 0.005 0.000 0.886 304 S HN 0.500 nan 8.310 nan 0.000 0.456 305 L N 2.481 123.642 121.223 -0.104 0.000 1.970 305 L HA -0.086 4.287 4.340 0.055 0.000 0.212 305 L C -0.790 176.092 176.870 0.020 0.000 1.071 305 L CA 1.674 56.492 54.840 -0.036 0.000 0.751 305 L CB -1.172 40.881 42.059 -0.011 0.000 0.889 305 L HN 0.230 nan 8.230 nan 0.000 0.432 306 P HA -0.105 nan 4.420 nan 0.000 0.217 306 P C 2.001 179.351 177.300 0.083 0.000 1.151 306 P CA 1.260 64.504 63.100 0.240 0.000 0.828 306 P CB -0.028 31.958 31.700 0.477 0.000 0.788 307 V N 0.699 120.378 119.914 -0.392 0.000 2.252 307 V HA -0.298 3.855 4.120 0.055 0.000 0.249 307 V C 2.894 178.809 176.094 -0.299 0.000 1.056 307 V CA 2.372 64.198 62.300 -0.789 0.000 1.022 307 V CB -1.569 29.677 31.823 -0.961 0.000 0.641 307 V HN 0.178 nan 8.190 nan 0.000 0.445 308 C N -0.204 118.971 119.300 -0.208 0.000 2.425 308 C HA -0.147 4.345 4.460 0.055 0.000 0.277 308 C C 2.484 177.491 174.990 0.028 0.000 1.280 308 C CA 0.839 59.842 59.018 -0.025 0.000 1.744 308 C CB -1.193 26.516 27.740 -0.052 0.000 1.989 308 C HN 0.615 nan 8.230 nan 0.000 0.491 309 D N 0.064 120.494 120.400 0.051 0.000 2.190 309 D HA -0.149 4.523 4.640 0.055 0.000 0.200 309 D C 2.294 178.714 176.300 0.200 0.000 0.992 309 D CA 1.078 55.170 54.000 0.153 0.000 0.854 309 D CB -0.440 40.557 40.800 0.328 0.000 0.936 309 D HN 0.538 nan 8.370 nan 0.000 0.462 310 R N 0.165 120.765 120.500 0.166 0.000 2.127 310 R HA 0.094 4.467 4.340 0.055 0.000 0.217 310 R C 2.059 178.493 176.300 0.224 0.000 1.074 310 R CA 0.876 57.109 56.100 0.222 0.000 0.991 310 R CB 0.041 30.484 30.300 0.239 0.000 0.895 310 R HN 0.064 nan 8.270 nan 0.000 0.450 311 A N 1.443 124.314 122.820 0.085 0.000 1.865 311 A HA -0.223 4.130 4.320 0.055 0.000 0.217 311 A C 2.195 179.921 177.584 0.237 0.000 1.191 311 A CA 1.785 53.840 52.037 0.030 0.000 0.623 311 A CB -0.553 18.323 19.000 -0.207 0.000 0.826 311 A HN 0.328 nan 8.150 nan 0.000 0.444 312 M N -1.190 118.555 119.600 0.242 0.000 2.082 312 M HA -0.202 4.310 4.480 0.055 0.000 0.258 312 M C 2.028 178.650 176.300 0.537 0.000 1.071 312 M CA 1.449 56.889 55.300 0.234 0.000 1.103 312 M CB -0.680 31.761 32.600 -0.265 0.000 1.307 312 M HN 0.311 nan 8.290 nan 0.000 0.409 313 L N -0.454 121.067 121.223 0.497 0.000 2.197 313 L HA -0.223 4.150 4.340 0.055 0.000 0.215 313 L C 1.798 178.838 176.870 0.283 0.000 1.095 313 L CA 2.012 57.029 54.840 0.295 0.000 0.764 313 L CB -1.288 40.739 42.059 -0.054 0.000 0.897 313 L HN 0.348 nan 8.230 nan 0.000 0.436 314 H N -2.281 116.965 119.070 0.293 0.000 2.520 314 H HA 0.343 4.932 4.556 0.055 0.000 0.284 314 H C 1.779 177.215 175.328 0.179 0.000 1.037 314 H CA 0.535 56.706 56.048 0.206 0.000 1.168 314 H CB 0.247 30.034 29.762 0.043 0.000 1.497 314 H HN 0.217 nan 8.280 nan 0.000 0.547 315 A N 0.672 123.648 122.820 0.261 0.000 2.168 315 A HA -0.122 4.231 4.320 0.055 0.000 0.215 315 A C 1.621 179.203 177.584 -0.002 0.000 1.152 315 A CA 1.229 53.229 52.037 -0.062 0.000 0.716 315 A CB -0.060 18.795 19.000 -0.242 0.000 0.794 315 A HN 0.509 nan 8.150 nan 0.000 0.465 316 D N -0.918 119.608 120.400 0.210 0.000 2.363 316 D HA 0.189 4.862 4.640 0.055 0.000 0.220 316 D C 1.312 177.766 176.300 0.256 0.000 0.994 316 D CA 0.965 55.120 54.000 0.259 0.000 0.890 316 D CB -0.791 40.266 40.800 0.429 0.000 0.906 316 D HN 0.535 nan 8.370 nan 0.000 0.530 317 G N 0.926 109.847 108.800 0.201 0.000 2.651 317 G HA2 -0.362 3.631 3.960 0.055 0.000 0.315 317 G HA3 -0.362 3.631 3.960 0.055 0.000 0.315 317 G C 0.823 175.662 174.900 -0.103 0.000 1.258 317 G CA 0.911 46.069 45.100 0.097 0.000 1.002 317 G HN 0.364 nan 8.290 nan 0.000 0.551 318 S N 0.661 115.965 115.700 -0.660 0.000 2.572 318 S HA 0.429 4.932 4.470 0.055 0.000 0.228 318 S C -0.310 174.069 174.600 -0.368 0.000 0.963 318 S CA 0.191 58.083 58.200 -0.514 0.000 0.939 318 S CB 0.020 62.885 63.200 -0.558 0.000 0.804 318 S HN 0.431 nan 8.310 nan 0.000 0.480 319 Y N 0.185 120.565 120.300 0.133 0.000 2.393 319 Y HA 0.518 5.101 4.550 0.055 0.000 0.341 319 Y C -0.253 175.348 175.900 -0.499 0.000 0.988 319 Y CA -1.714 56.324 58.100 -0.104 0.000 1.078 319 Y CB 0.644 39.109 38.460 0.009 0.000 1.203 319 Y HN 0.097 nan 8.280 nan 0.000 0.453 320 F N 3.495 123.051 119.950 -0.656 0.000 2.495 320 F HA 0.503 5.062 4.527 0.054 0.000 0.365 320 F C -0.785 174.924 175.800 -0.151 0.000 1.090 320 F CA -0.546 57.110 58.000 -0.572 0.000 1.235 320 F CB 0.370 39.135 39.000 -0.390 0.000 1.119 320 F HN 0.183 nan 8.300 nan 0.000 0.562 321 V N 8.553 127.865 119.914 -1.003 0.000 2.524 321 V HA 0.251 4.404 4.120 0.055 0.000 0.297 321 V C -2.027 173.565 176.094 -0.837 0.000 1.035 321 V CA -1.124 60.756 62.300 -0.700 0.000 0.867 321 V CB 1.711 33.387 31.823 -0.246 0.000 1.004 321 V HN 0.650 nan 8.190 nan 0.000 0.426 322 P HA 0.189 nan 4.420 nan 0.000 0.231 322 P C 0.171 177.382 177.300 -0.148 0.000 1.168 322 P CA 0.685 63.551 63.100 -0.390 0.000 0.779 322 P CB 0.521 32.145 31.700 -0.126 0.000 0.844 323 A N -0.292 122.450 122.820 -0.130 0.000 2.437 323 A HA 0.718 5.071 4.320 0.055 0.000 0.293 323 A C -1.607 175.956 177.584 -0.035 0.000 1.038 323 A CA -0.491 51.519 52.037 -0.045 0.000 0.708 323 A CB 0.762 19.746 19.000 -0.026 0.000 1.251 323 A HN 0.095 nan 8.150 nan 0.000 0.409 324 L N 1.855 123.091 121.223 0.020 0.000 2.505 324 L HA 0.823 5.195 4.340 0.055 0.000 0.259 324 L C -0.741 176.192 176.870 0.105 0.000 0.952 324 L CA -0.509 54.355 54.840 0.041 0.000 0.840 324 L CB 2.066 44.134 42.059 0.014 0.000 1.358 324 L HN 0.921 nan 8.230 nan 0.000 0.409 325 R N 3.772 124.339 120.500 0.112 0.000 2.621 325 R HA 0.804 5.177 4.340 0.055 0.000 0.284 325 R C -2.043 174.357 176.300 0.166 0.000 0.998 325 R CA -0.491 55.700 56.100 0.151 0.000 0.895 325 R CB 1.767 32.131 30.300 0.106 0.000 1.195 325 R HN 0.539 nan 8.270 nan 0.000 0.450 326 I N 1.968 122.631 120.570 0.155 0.000 2.545 326 I HA 0.366 4.569 4.170 0.055 0.000 0.292 326 I C -0.715 175.384 176.117 -0.031 0.000 1.040 326 I CA -0.483 60.837 61.300 0.032 0.000 1.068 326 I CB 2.134 40.083 38.000 -0.086 0.000 1.251 326 I HN 0.630 nan 8.210 nan 0.000 0.424 327 E N 3.844 124.022 120.200 -0.036 0.000 2.182 327 E HA 0.473 4.856 4.350 0.055 0.000 0.258 327 E C -1.331 175.255 176.600 -0.022 0.000 0.879 327 E CA -0.330 56.049 56.400 -0.035 0.000 0.754 327 E CB 1.283 31.020 29.700 0.063 0.000 1.162 327 E HN 0.548 nan 8.360 nan 0.000 0.419 328 S N 4.770 120.384 115.700 -0.143 0.000 2.498 328 S HA 0.278 4.780 4.470 0.055 0.000 0.324 328 S C -1.017 173.495 174.600 -0.147 0.000 1.071 328 S CA -0.647 57.527 58.200 -0.043 0.000 1.113 328 S CB 0.324 63.475 63.200 -0.081 0.000 0.976 328 S HN 0.543 nan 8.310 nan 0.000 0.462 329 H N 5.346 124.418 119.070 0.004 0.000 2.556 329 H HA 0.338 4.927 4.556 0.054 0.000 0.310 329 H C 0.012 175.306 175.328 -0.057 0.000 1.057 329 H CA -0.715 55.319 56.048 -0.023 0.000 1.264 329 H CB 0.805 30.552 29.762 -0.024 0.000 1.404 329 H HN 0.543 nan 8.280 nan 0.000 0.462 330 R N 4.307 124.841 120.500 0.056 0.000 2.278 330 R HA 0.313 4.686 4.340 0.055 0.000 0.322 330 R C -0.591 175.764 176.300 0.091 0.000 1.058 330 R CA -0.585 55.550 56.100 0.058 0.000 0.991 330 R CB 0.281 30.636 30.300 0.092 0.000 1.140 330 R HN 0.421 nan 8.270 nan 0.000 0.518 331 L N 2.646 123.881 121.223 0.020 0.000 2.292 331 L HA 0.472 4.844 4.340 0.055 0.000 0.284 331 L C 0.832 177.635 176.870 -0.113 0.000 1.065 331 L CA -0.829 53.976 54.840 -0.060 0.000 0.806 331 L CB 1.157 43.175 42.059 -0.068 0.000 1.175 331 L HN 0.393 nan 8.230 nan 0.000 0.431 332 R N 1.975 122.273 120.500 -0.337 0.000 2.389 332 R HA 0.384 4.756 4.340 0.055 0.000 0.295 332 R C -0.448 175.756 176.300 -0.161 0.000 1.075 332 R CA -0.071 55.781 56.100 -0.414 0.000 1.005 332 R CB 0.855 30.664 30.300 -0.819 0.000 0.987 332 R HN 0.818 nan 8.270 nan 0.000 0.452 333 T N 0.425 114.949 114.554 -0.050 0.000 2.896 333 T HA 0.277 4.660 4.350 0.055 0.000 0.297 333 T C -0.428 174.311 174.700 0.064 0.000 1.108 333 T CA -1.114 60.964 62.100 -0.037 0.000 1.004 333 T CB 1.411 70.207 68.868 -0.120 0.000 1.159 333 T HN 0.605 nan 8.240 nan 0.000 0.499 334 N N 1.852 120.583 118.700 0.051 0.000 3.178 334 N HA 0.380 5.153 4.740 0.055 0.000 0.300 334 N C -0.310 175.263 175.510 0.106 0.000 1.242 334 N CA -0.223 52.908 53.050 0.136 0.000 1.192 334 N CB 0.167 38.702 38.487 0.081 0.000 1.463 334 N HN 0.860 nan 8.380 nan 0.000 0.539 335 T N -3.043 111.571 114.554 0.100 0.000 2.843 335 T HA 0.303 4.686 4.350 0.055 0.000 0.302 335 T C -0.430 174.241 174.700 -0.048 0.000 1.232 335 T CA -1.115 61.002 62.100 0.028 0.000 1.009 335 T CB 0.965 69.665 68.868 -0.280 0.000 1.254 335 T HN -0.062 nan 8.240 nan 0.000 0.504 336 Q N 1.585 121.255 119.800 -0.217 0.000 3.520 336 Q HA 0.070 4.443 4.340 0.055 0.000 0.395 336 Q C 0.430 176.384 176.000 -0.077 0.000 1.035 336 Q CA 0.533 56.152 55.803 -0.307 0.000 1.260 336 Q CB -0.191 28.539 28.738 -0.013 0.000 1.061 336 Q HN 0.729 nan 8.270 nan 0.000 0.469 337 S N 4.096 119.771 115.700 -0.042 0.000 2.560 337 S HA 0.016 4.519 4.470 0.055 0.000 0.323 337 S C 0.054 174.569 174.600 -0.142 0.000 1.191 337 S CA -0.701 57.402 58.200 -0.162 0.000 1.231 337 S CB -0.189 62.753 63.200 -0.430 0.000 1.224 337 S HN 0.472 nan 8.310 nan 0.000 0.545 338 N N 3.166 121.733 118.700 -0.222 0.000 2.381 338 N HA 0.209 4.981 4.740 0.055 0.000 0.241 338 N C 0.360 175.753 175.510 -0.194 0.000 1.279 338 N CA 0.263 53.091 53.050 -0.371 0.000 0.896 338 N CB 1.019 38.951 38.487 -0.924 0.000 1.118 338 N HN 0.681 nan 8.380 nan 0.000 0.438 339 T N -1.358 113.197 114.554 0.003 0.000 2.618 339 T HA 0.676 5.058 4.350 0.055 0.000 0.293 339 T C -1.235 173.627 174.700 0.270 0.000 1.093 339 T CA -0.523 61.683 62.100 0.177 0.000 1.061 339 T CB 0.428 69.390 68.868 0.157 0.000 1.498 339 T HN 0.481 nan 8.240 nan 0.000 0.494 340 A N 0.930 123.950 122.820 0.335 0.000 2.407 340 A HA 0.664 5.017 4.320 0.055 0.000 0.248 340 A C -0.799 177.079 177.584 0.490 0.000 1.082 340 A CA -0.141 52.174 52.037 0.464 0.000 0.785 340 A CB -0.433 18.945 19.000 0.630 0.000 1.020 340 A HN 0.745 nan 8.150 nan 0.000 0.489 341 F N 1.072 121.168 119.950 0.243 0.000 2.623 341 F HA 0.405 4.966 4.527 0.057 0.000 0.323 341 F C 0.363 176.098 175.800 -0.110 0.000 1.158 341 F CA -1.046 57.013 58.000 0.098 0.000 1.030 341 F CB 1.198 40.083 39.000 -0.192 0.000 1.280 341 F HN 0.802 nan 8.300 nan 0.000 0.474 342 R N 3.858 124.592 120.500 0.389 0.000 4.098 342 R HA -0.015 4.358 4.340 0.055 0.000 0.151 342 R C 0.949 176.984 176.300 -0.441 0.000 0.451 342 R CA 2.111 58.196 56.100 -0.026 0.000 0.858 342 R CB -0.614 29.666 30.300 -0.033 0.000 1.051 342 R HN 1.176 nan 8.270 nan 0.000 0.263 343 G N 3.575 112.264 108.800 -0.185 0.000 2.376 343 G HA2 -0.311 3.682 3.960 0.055 0.000 0.208 343 G HA3 -0.311 3.682 3.960 0.055 0.000 0.208 343 G C 0.246 175.261 174.900 0.191 0.000 1.032 343 G CA -0.085 44.962 45.100 -0.089 0.000 0.641 343 G HN 0.830 nan 8.290 nan 0.000 0.503 344 F N 0.852 120.762 119.950 -0.066 0.000 2.891 344 F HA 0.071 4.631 4.527 0.055 0.000 0.272 344 F C 1.793 177.567 175.800 -0.044 0.000 1.004 344 F CA 2.542 60.540 58.000 -0.004 0.000 0.938 344 F CB -1.018 38.007 39.000 0.041 0.000 0.939 344 F HN 2.084 nan 8.300 nan 0.000 0.833 345 G N -0.204 108.474 108.800 -0.204 0.000 2.284 345 G HA2 -0.302 3.690 3.960 0.055 0.000 0.247 345 G HA3 -0.302 3.690 3.960 0.055 0.000 0.247 345 G C 1.584 176.354 174.900 -0.216 0.000 1.012 345 G CA 0.846 45.804 45.100 -0.237 0.000 0.618 345 G HN 1.579 nan 8.290 nan 0.000 0.521 346 G N 1.830 110.534 108.800 -0.159 0.000 2.480 346 G HA2 0.025 4.018 3.960 0.055 0.000 0.216 346 G HA3 0.025 4.018 3.960 0.055 0.000 0.216 346 G C 0.272 175.113 174.900 -0.098 0.000 1.200 346 G CA 2.092 47.013 45.100 -0.298 0.000 0.782 346 G HN 0.583 nan 8.290 nan 0.000 0.554 347 P HA -0.032 nan 4.420 nan 0.000 0.223 347 P C 1.470 178.833 177.300 0.104 0.000 1.151 347 P CA 1.052 64.219 63.100 0.111 0.000 0.787 347 P CB 0.086 31.890 31.700 0.174 0.000 0.788 348 Q N 0.048 119.774 119.800 -0.122 0.000 1.990 348 Q HA -0.020 4.353 4.340 0.055 0.000 0.200 348 Q C 2.585 178.358 176.000 -0.379 0.000 0.980 348 Q CA 2.110 57.719 55.803 -0.323 0.000 0.832 348 Q CB -1.640 26.500 28.738 -0.997 0.000 0.897 348 Q HN 0.226 nan 8.270 nan 0.000 0.427 349 G N 0.429 108.994 108.800 -0.391 0.000 2.446 349 G HA2 -0.287 3.706 3.960 0.055 0.000 0.217 349 G HA3 -0.287 3.706 3.960 0.055 0.000 0.217 349 G C 1.505 176.371 174.900 -0.057 0.000 1.168 349 G CA 1.134 46.121 45.100 -0.188 0.000 0.771 349 G HN 0.448 nan 8.290 nan 0.000 0.551 350 A N 0.391 123.233 122.820 0.038 0.000 1.883 350 A HA -0.008 4.345 4.320 0.055 0.000 0.217 350 A C 2.388 180.039 177.584 0.111 0.000 1.186 350 A CA 1.870 53.976 52.037 0.115 0.000 0.624 350 A CB -0.531 18.567 19.000 0.163 0.000 0.822 350 A HN 0.485 nan 8.150 nan 0.000 0.444 351 L N 0.135 121.419 121.223 0.101 0.000 2.056 351 L HA 0.010 4.382 4.340 0.055 0.000 0.207 351 L C 2.414 179.404 176.870 0.200 0.000 1.078 351 L CA 2.262 57.176 54.840 0.123 0.000 0.749 351 L CB -1.274 40.829 42.059 0.074 0.000 0.901 351 L HN 0.324 nan 8.230 nan 0.000 0.433 352 G N -0.277 108.626 108.800 0.172 0.000 2.529 352 G HA2 -0.419 3.574 3.960 0.055 0.000 0.219 352 G HA3 -0.419 3.574 3.960 0.055 0.000 0.219 352 G C 1.580 176.630 174.900 0.250 0.000 1.177 352 G CA 1.419 46.692 45.100 0.287 0.000 0.773 352 G HN 0.455 nan 8.290 nan 0.000 0.573 353 M N 0.437 120.095 119.600 0.095 0.000 2.117 353 M HA 0.055 4.568 4.480 0.055 0.000 0.262 353 M C 2.166 178.595 176.300 0.215 0.000 1.065 353 M CA 1.530 56.987 55.300 0.263 0.000 1.114 353 M CB -0.390 32.342 32.600 0.219 0.000 1.361 353 M HN 0.119 nan 8.290 nan 0.000 0.408 354 E N -0.112 120.201 120.200 0.190 0.000 2.204 354 E HA -0.145 4.237 4.350 0.055 0.000 0.194 354 E C 2.221 178.843 176.600 0.037 0.000 0.989 354 E CA 0.653 57.153 56.400 0.167 0.000 0.824 354 E CB -0.382 29.422 29.700 0.174 0.000 0.756 354 E HN 0.444 nan 8.360 nan 0.000 0.477 355 R N 0.431 120.907 120.500 -0.040 0.000 2.062 355 R HA 0.038 4.411 4.340 0.055 0.000 0.229 355 R C 2.134 178.257 176.300 -0.294 0.000 1.128 355 R CA 1.133 57.095 56.100 -0.231 0.000 0.960 355 R CB -0.541 29.440 30.300 -0.531 0.000 0.855 355 R HN 0.132 nan 8.270 nan 0.000 0.432 356 A N 0.869 123.420 122.820 -0.448 0.000 1.883 356 A HA -0.180 4.173 4.320 0.055 0.000 0.217 356 A C 2.277 179.771 177.584 -0.150 0.000 1.186 356 A CA 1.518 53.237 52.037 -0.529 0.000 0.624 356 A CB -0.599 18.183 19.000 -0.362 0.000 0.822 356 A HN 0.343 nan 8.150 nan 0.000 0.444 357 I N -0.969 119.543 120.570 -0.097 0.000 2.546 357 I HA -0.166 4.037 4.170 0.055 0.000 0.255 357 I C 2.297 178.374 176.117 -0.068 0.000 1.163 357 I CA 1.640 62.866 61.300 -0.123 0.000 1.457 357 I CB -0.006 37.847 38.000 -0.246 0.000 1.092 357 I HN 0.439 nan 8.210 nan 0.000 0.434 358 E N 0.108 120.294 120.200 -0.023 0.000 2.051 358 E HA -0.301 4.082 4.350 0.055 0.000 0.192 358 E C 2.180 178.852 176.600 0.120 0.000 0.991 358 E CA 1.569 57.989 56.400 0.033 0.000 0.799 358 E CB -0.228 29.448 29.700 -0.039 0.000 0.748 358 E HN 0.471 nan 8.360 nan 0.000 0.449 359 H N 0.096 119.139 119.070 -0.045 0.000 2.251 359 H HA -0.168 4.421 4.556 0.055 0.000 0.294 359 H C 2.116 177.321 175.328 -0.205 0.000 1.078 359 H CA 1.851 57.727 56.048 -0.286 0.000 1.246 359 H CB -0.898 28.678 29.762 -0.310 0.000 1.358 359 H HN 0.252 nan 8.280 nan 0.000 0.488 360 L N 0.588 121.783 121.223 -0.047 0.000 2.010 360 L HA -0.257 4.116 4.340 0.055 0.000 0.219 360 L C 2.706 179.524 176.870 -0.085 0.000 1.077 360 L CA 2.467 57.242 54.840 -0.110 0.000 0.773 360 L CB -1.326 40.667 42.059 -0.110 0.000 0.892 360 L HN 0.395 nan 8.230 nan 0.000 0.436 361 A N -0.839 121.948 122.820 -0.055 0.000 1.873 361 A HA -0.268 4.085 4.320 0.055 0.000 0.218 361 A C 2.320 179.908 177.584 0.006 0.000 1.193 361 A CA 2.095 54.109 52.037 -0.038 0.000 0.629 361 A CB -0.597 18.396 19.000 -0.011 0.000 0.826 361 A HN 0.460 nan 8.150 nan 0.000 0.447 362 R N -0.821 119.732 120.500 0.087 0.000 2.083 362 R HA -0.133 4.240 4.340 0.055 0.000 0.237 362 R C 2.387 178.728 176.300 0.069 0.000 1.137 362 R CA 1.492 57.679 56.100 0.144 0.000 0.951 362 R CB -1.665 28.835 30.300 0.334 0.000 0.851 362 R HN 0.559 nan 8.270 nan 0.000 0.434 363 G N 1.620 110.428 108.800 0.012 0.000 2.448 363 G HA2 -0.197 3.796 3.960 0.055 0.000 0.219 363 G HA3 -0.197 3.796 3.960 0.055 0.000 0.219 363 G C 1.393 176.277 174.900 -0.027 0.000 1.127 363 G CA 0.815 45.892 45.100 -0.038 0.000 0.766 363 G HN 0.409 nan 8.290 nan 0.000 0.552 364 M N -0.402 119.153 119.600 -0.076 0.000 2.475 364 M HA 0.426 4.938 4.480 0.055 0.000 0.261 364 M C 1.136 177.380 176.300 -0.093 0.000 1.177 364 M CA 0.335 55.554 55.300 -0.136 0.000 0.979 364 M CB 0.015 32.330 32.600 -0.475 0.000 1.482 364 M HN 0.186 nan 8.290 nan 0.000 0.484 365 G N 2.841 111.619 108.800 -0.037 0.000 2.393 365 G HA2 -0.298 3.695 3.960 0.055 0.000 0.299 365 G HA3 -0.298 3.695 3.960 0.055 0.000 0.299 365 G C -0.247 174.633 174.900 -0.033 0.000 0.990 365 G CA 0.723 45.813 45.100 -0.016 0.000 1.118 365 G HN 0.693 nan 8.290 nan 0.000 0.513 366 R N -0.087 120.387 120.500 -0.044 0.000 2.787 366 R HA 0.489 4.861 4.340 0.055 0.000 0.271 366 R C 0.049 176.338 176.300 -0.018 0.000 0.993 366 R CA -0.856 55.215 56.100 -0.049 0.000 0.993 366 R CB 0.785 31.032 30.300 -0.088 0.000 1.155 366 R HN 0.221 nan 8.270 nan 0.000 0.486 367 D N 3.343 123.734 120.400 -0.015 0.000 2.401 367 D HA 0.019 4.692 4.640 0.055 0.000 0.254 367 D C -1.660 174.650 176.300 0.016 0.000 1.192 367 D CA -1.395 52.610 54.000 0.008 0.000 0.885 367 D CB 1.460 42.263 40.800 0.005 0.000 1.147 367 D HN 0.305 nan 8.370 nan 0.000 0.478 368 P HA -0.091 nan 4.420 nan 0.000 0.216 368 P C 1.130 178.454 177.300 0.041 0.000 1.153 368 P CA 1.308 64.432 63.100 0.040 0.000 0.848 368 P CB 0.091 31.842 31.700 0.085 0.000 0.787 369 A N 0.544 123.429 122.820 0.108 0.000 1.859 369 A HA -0.290 4.063 4.320 0.055 0.000 0.217 369 A C 2.403 180.003 177.584 0.028 0.000 1.198 369 A CA 2.041 54.156 52.037 0.131 0.000 0.629 369 A CB -1.563 17.617 19.000 0.301 0.000 0.830 369 A HN 0.150 nan 8.150 nan 0.000 0.446 370 E N -0.472 119.740 120.200 0.021 0.000 2.097 370 E HA -0.226 4.157 4.350 0.055 0.000 0.196 370 E C 1.960 178.496 176.600 -0.107 0.000 1.000 370 E CA 1.693 58.072 56.400 -0.036 0.000 0.804 370 E CB -0.288 29.401 29.700 -0.019 0.000 0.740 370 E HN 0.418 nan 8.360 nan 0.000 0.454 371 L N 1.340 122.500 121.223 -0.105 0.000 2.046 371 L HA -0.148 4.224 4.340 0.055 0.000 0.208 371 L C 2.558 179.285 176.870 -0.239 0.000 1.077 371 L CA 1.631 56.378 54.840 -0.154 0.000 0.747 371 L CB -0.363 41.612 42.059 -0.140 0.000 0.896 371 L HN 0.023 nan 8.230 nan 0.000 0.432 372 R N -0.833 119.523 120.500 -0.241 0.000 2.080 372 R HA -0.146 4.227 4.340 0.055 0.000 0.236 372 R C 2.240 178.123 176.300 -0.696 0.000 1.137 372 R CA 1.437 57.367 56.100 -0.284 0.000 0.943 372 R CB -0.792 29.536 30.300 0.046 0.000 0.846 372 R HN 0.483 nan 8.270 nan 0.000 0.431 373 A N 1.126 123.490 122.820 -0.760 0.000 1.940 373 A HA -0.168 4.184 4.320 0.055 0.000 0.219 373 A C 2.082 179.331 177.584 -0.557 0.000 1.176 373 A CA 1.153 52.602 52.037 -0.979 0.000 0.631 373 A CB -0.451 18.339 19.000 -0.350 0.000 0.814 373 A HN 0.233 nan 8.150 nan 0.000 0.446 374 L N -0.256 120.775 121.223 -0.319 0.000 2.275 374 L HA -0.052 4.321 4.340 0.055 0.000 0.215 374 L C 1.144 177.946 176.870 -0.113 0.000 1.119 374 L CA 1.511 56.251 54.840 -0.166 0.000 0.790 374 L CB -0.208 41.776 42.059 -0.125 0.000 0.919 374 L HN 0.389 nan 8.230 nan 0.000 0.443 375 N N -1.825 116.790 118.700 -0.141 0.000 2.177 375 N HA 0.127 4.900 4.740 0.055 0.000 0.218 375 N C -0.135 175.542 175.510 0.279 0.000 1.182 375 N CA -0.124 52.951 53.050 0.042 0.000 0.882 375 N CB 0.376 38.841 38.487 -0.037 0.000 1.052 375 N HN 0.196 nan 8.380 nan 0.000 0.519 376 F N 0.998 121.069 119.950 0.202 0.000 2.589 376 F HA -0.015 4.545 4.527 0.055 0.000 0.352 376 F C 0.932 176.766 175.800 0.056 0.000 1.168 376 F CA -0.617 57.454 58.000 0.118 0.000 1.353 376 F CB 0.301 39.340 39.000 0.065 0.000 1.116 376 F HN -0.002 nan 8.300 nan 0.000 0.608 377 Y N 1.254 121.701 120.300 0.245 0.000 2.683 377 Y HA -0.077 4.506 4.550 0.055 0.000 0.340 377 Y C 0.709 176.637 175.900 0.048 0.000 1.245 377 Y CA -0.347 57.822 58.100 0.115 0.000 1.485 377 Y CB 0.002 38.480 38.460 0.029 0.000 1.328 377 Y HN 0.417 nan 8.280 nan 0.000 0.603 378 D N 3.910 124.404 120.400 0.156 0.000 2.423 378 D HA 0.067 4.740 4.640 0.055 0.000 0.238 378 D C -2.156 174.168 176.300 0.040 0.000 1.142 378 D CA -1.071 52.968 54.000 0.066 0.000 0.884 378 D CB 0.057 40.861 40.800 0.007 0.000 1.199 378 D HN 0.241 nan 8.370 nan 0.000 0.438 379 P HA 0.052 nan 4.420 nan 0.000 0.269 379 P C -2.444 174.854 177.300 -0.002 0.000 1.205 379 P CA -0.545 62.549 63.100 -0.010 0.000 0.780 379 P CB -0.365 31.340 31.700 0.008 0.000 0.858 380 P HA 0.406 nan 4.420 nan 0.000 0.276 380 P C -0.626 176.685 177.300 0.017 0.000 1.230 380 P CA 0.498 63.606 63.100 0.013 0.000 0.776 380 P CB 0.536 32.250 31.700 0.024 0.000 0.888 399 K N 0.443 120.841 120.400 -0.003 0.000 2.454 399 K HA -0.058 4.295 4.320 0.055 0.000 0.261 399 K C -0.554 176.038 176.600 -0.013 0.000 1.053 399 K CA 0.782 57.069 56.287 -0.001 0.000 1.159 399 K CB -1.323 31.181 32.500 0.007 0.000 0.786 399 K HN 0.438 nan 8.250 nan 0.000 0.485 400 T N 3.673 118.224 114.554 -0.005 0.000 2.946 400 T HA -0.070 4.313 4.350 0.055 0.000 0.311 400 T C 0.324 175.014 174.700 -0.016 0.000 1.063 400 T CA -0.389 61.705 62.100 -0.010 0.000 1.139 400 T CB 0.233 69.108 68.868 0.010 0.000 0.994 400 T HN 0.539 nan 8.240 nan 0.000 0.547 401 Q N 1.699 121.472 119.800 -0.046 0.000 2.315 401 Q HA 0.225 4.598 4.340 0.055 0.000 0.289 401 Q C 0.917 176.986 176.000 0.116 0.000 1.044 401 Q CA 0.044 55.826 55.803 -0.035 0.000 0.920 401 Q CB 0.366 29.046 28.738 -0.097 0.000 1.214 401 Q HN 0.823 nan 8.270 nan 0.000 0.392 402 T N -1.410 113.268 114.554 0.206 0.000 2.948 402 T HA 0.519 4.902 4.350 0.055 0.000 0.285 402 T C 0.404 175.243 174.700 0.232 0.000 1.019 402 T CA -0.774 61.408 62.100 0.138 0.000 1.013 402 T CB 1.457 70.367 68.868 0.069 0.000 1.117 402 T HN 0.638 nan 8.240 nan 0.000 0.533 403 T N -1.020 113.490 114.554 -0.073 0.000 2.732 403 T HA 0.191 4.573 4.350 0.055 0.000 0.287 403 T C 1.615 176.235 174.700 -0.133 0.000 0.993 403 T CA -0.107 61.885 62.100 -0.179 0.000 0.966 403 T CB 0.116 68.370 68.868 -1.024 0.000 1.047 403 T HN 0.890 nan 8.240 nan 0.000 0.527 404 H N 0.226 119.249 119.070 -0.079 0.000 2.421 404 H HA -0.140 4.449 4.556 0.055 0.000 0.298 404 H C 1.789 177.149 175.328 0.052 0.000 1.087 404 H CA 1.941 58.018 56.048 0.050 0.000 1.330 404 H CB -1.152 28.724 29.762 0.191 0.000 1.388 404 H HN 0.922 nan 8.280 nan 0.000 0.526 405 Y N -0.300 119.840 120.300 -0.268 0.000 2.583 405 Y HA 0.393 4.976 4.550 0.055 0.000 0.293 405 Y C 1.735 177.570 175.900 -0.107 0.000 1.157 405 Y CA -0.048 57.907 58.100 -0.242 0.000 1.315 405 Y CB -0.130 38.101 38.460 -0.382 0.000 1.021 405 Y HN 0.321 nan 8.280 nan 0.000 0.536 406 G N 0.416 109.069 108.800 -0.246 0.000 2.131 406 G HA2 -0.306 3.687 3.960 0.055 0.000 0.223 406 G HA3 -0.306 3.687 3.960 0.055 0.000 0.223 406 G C -0.151 174.696 174.900 -0.089 0.000 0.990 406 G CA 0.064 45.106 45.100 -0.097 0.000 0.671 406 G HN 0.561 nan 8.290 nan 0.000 0.521 407 Q N 0.806 120.471 119.800 -0.225 0.000 2.279 407 Q HA 0.371 4.744 4.340 0.055 0.000 0.256 407 Q C 0.393 176.368 176.000 -0.040 0.000 0.937 407 Q CA -0.467 55.308 55.803 -0.047 0.000 0.933 407 Q CB 0.403 29.224 28.738 0.138 0.000 1.189 407 Q HN 0.542 nan 8.270 nan 0.000 0.417 408 E N 2.272 122.487 120.200 0.025 0.000 2.465 408 E HA 0.007 4.390 4.350 0.055 0.000 0.260 408 E C -0.778 175.848 176.600 0.042 0.000 0.980 408 E CA 0.112 56.529 56.400 0.028 0.000 0.927 408 E CB 0.869 30.595 29.700 0.044 0.000 0.934 408 E HN 0.328 nan 8.360 nan 0.000 0.459 409 V N 2.813 122.696 119.914 -0.053 0.000 2.277 409 V HA 0.253 4.405 4.120 0.055 0.000 0.269 409 V C 0.595 176.678 176.094 -0.019 0.000 1.036 409 V CA -0.051 62.170 62.300 -0.132 0.000 0.821 409 V CB 0.820 32.245 31.823 -0.663 0.000 1.052 409 V HN 0.794 nan 8.190 nan 0.000 0.462 410 A N 3.176 126.042 122.820 0.076 0.000 2.469 410 A HA 0.292 4.645 4.320 0.055 0.000 0.245 410 A C 0.935 178.568 177.584 0.081 0.000 1.221 410 A CA 0.258 52.335 52.037 0.066 0.000 0.946 410 A CB 0.053 19.094 19.000 0.069 0.000 1.049 410 A HN 0.772 nan 8.150 nan 0.000 0.529 411 D N -2.057 118.423 120.400 0.133 0.000 2.513 411 D HA 0.121 4.794 4.640 0.055 0.000 0.222 411 D C 0.149 176.448 176.300 -0.003 0.000 1.210 411 D CA -0.352 53.740 54.000 0.153 0.000 0.825 411 D CB -1.252 39.733 40.800 0.308 0.000 1.037 411 D HN 0.069 nan 8.370 nan 0.000 0.506 412 C N 2.243 121.449 119.300 -0.157 0.000 2.663 412 C HA 0.237 4.730 4.460 0.055 0.000 0.379 412 C C 1.748 176.394 174.990 -0.574 0.000 1.255 412 C CA -0.340 58.313 59.018 -0.607 0.000 1.503 412 C CB -1.485 26.079 27.740 -0.294 0.000 2.187 412 C HN 0.381 nan 8.230 nan 0.000 0.580 413 V N 5.107 124.536 119.914 -0.808 0.000 3.633 413 V HA 0.088 4.241 4.120 0.055 0.000 0.283 413 V C 1.651 177.309 176.094 -0.727 0.000 1.305 413 V CA 0.736 62.670 62.300 -0.609 0.000 1.153 413 V CB -0.954 30.504 31.823 -0.608 0.000 0.950 413 V HN 0.863 nan 8.190 nan 0.000 0.432 414 L N 1.344 122.087 121.223 -0.800 0.000 2.042 414 L HA -0.039 4.334 4.340 0.055 0.000 0.210 414 L C 2.709 179.279 176.870 -0.499 0.000 1.076 414 L CA 1.954 56.320 54.840 -0.790 0.000 0.749 414 L CB -0.862 40.568 42.059 -1.048 0.000 0.893 414 L HN 0.528 nan 8.230 nan 0.000 0.432 415 G N -0.663 108.032 108.800 -0.176 0.000 2.476 415 G HA2 -0.348 3.644 3.960 0.055 0.000 0.218 415 G HA3 -0.348 3.644 3.960 0.055 0.000 0.218 415 G C 1.448 176.375 174.900 0.045 0.000 1.164 415 G CA 1.053 46.250 45.100 0.161 0.000 0.768 415 G HN 0.484 nan 8.290 nan 0.000 0.560 416 E N -0.215 119.946 120.200 -0.066 0.000 2.076 416 E HA 0.011 4.393 4.350 0.055 0.000 0.190 416 E C 2.451 179.036 176.600 -0.025 0.000 0.979 416 E CA 0.415 56.820 56.400 0.007 0.000 0.807 416 E CB -0.204 29.558 29.700 0.103 0.000 0.761 416 E HN 0.384 nan 8.360 nan 0.000 0.454 417 L N 0.630 121.648 121.223 -0.342 0.000 1.990 417 L HA -0.218 4.155 4.340 0.055 0.000 0.213 417 L C 2.401 179.227 176.870 -0.074 0.000 1.072 417 L CA 1.359 56.001 54.840 -0.330 0.000 0.755 417 L CB -0.257 41.374 42.059 -0.715 0.000 0.889 417 L HN 0.084 nan 8.230 nan 0.000 0.432 418 V N -0.428 119.440 119.914 -0.076 0.000 2.332 418 V HA -0.328 3.825 4.120 0.055 0.000 0.248 418 V C 2.516 178.649 176.094 0.064 0.000 1.055 418 V CA 2.332 64.650 62.300 0.030 0.000 1.038 418 V CB -0.830 31.101 31.823 0.180 0.000 0.651 418 V HN 0.584 nan 8.190 nan 0.000 0.450 419 T N -0.326 114.281 114.554 0.087 0.000 2.652 419 T HA -0.286 4.097 4.350 0.055 0.000 0.267 419 T C 2.028 176.787 174.700 0.099 0.000 1.039 419 T CA 2.038 64.197 62.100 0.098 0.000 1.153 419 T CB -0.325 68.603 68.868 0.101 0.000 0.863 419 T HN 0.422 nan 8.240 nan 0.000 0.428 420 R N 0.384 120.956 120.500 0.119 0.000 2.091 420 R HA -0.095 4.278 4.340 0.055 0.000 0.238 420 R C 2.404 178.766 176.300 0.102 0.000 1.136 420 R CA 1.307 57.487 56.100 0.134 0.000 0.959 420 R CB -0.469 29.962 30.300 0.219 0.000 0.856 420 R HN 0.304 nan 8.270 nan 0.000 0.437 421 L N 1.019 122.290 121.223 0.079 0.000 2.056 421 L HA -0.117 4.255 4.340 0.055 0.000 0.207 421 L C 2.145 179.028 176.870 0.022 0.000 1.078 421 L CA 1.703 56.569 54.840 0.043 0.000 0.749 421 L CB -0.387 41.677 42.059 0.008 0.000 0.901 421 L HN 0.234 nan 8.230 nan 0.000 0.433 422 Q N -0.282 119.532 119.800 0.023 0.000 2.050 422 Q HA -0.224 4.148 4.340 0.055 0.000 0.202 422 Q C 2.124 178.206 176.000 0.136 0.000 0.980 422 Q CA 2.202 58.046 55.803 0.069 0.000 0.840 422 Q CB -0.180 28.634 28.738 0.128 0.000 0.898 422 Q HN 0.580 nan 8.270 nan 0.000 0.424 423 K N 0.224 120.690 120.400 0.109 0.000 2.026 423 K HA -0.120 4.233 4.320 0.055 0.000 0.208 423 K C 2.149 178.799 176.600 0.084 0.000 1.048 423 K CA 1.891 58.236 56.287 0.097 0.000 0.929 423 K CB -0.707 31.841 32.500 0.080 0.000 0.713 423 K HN 0.185 nan 8.250 nan 0.000 0.439 424 S N 1.234 116.978 115.700 0.073 0.000 2.423 424 S HA 0.041 4.544 4.470 0.055 0.000 0.231 424 S C 2.239 176.874 174.600 0.059 0.000 1.014 424 S CA 0.683 58.920 58.200 0.061 0.000 0.965 424 S CB -0.249 62.985 63.200 0.058 0.000 0.785 424 S HN 0.441 nan 8.310 nan 0.000 0.495 425 A N 1.675 124.535 122.820 0.067 0.000 2.208 425 A HA 0.238 4.591 4.320 0.055 0.000 0.209 425 A C 1.006 178.657 177.584 0.113 0.000 1.161 425 A CA 0.432 52.513 52.037 0.074 0.000 0.782 425 A CB -0.955 18.074 19.000 0.049 0.000 0.816 425 A HN 0.778 nan 8.150 nan 0.000 0.477 426 N N -2.354 116.417 118.700 0.119 0.000 2.756 426 N HA -0.216 4.557 4.740 0.055 0.000 0.248 426 N C 0.334 175.944 175.510 0.166 0.000 1.062 426 N CA 0.531 53.649 53.050 0.114 0.000 0.696 426 N CB -1.133 37.397 38.487 0.071 0.000 0.946 426 N HN 0.372 nan 8.380 nan 0.000 0.548 427 F N 1.039 121.002 119.950 0.023 0.000 2.051 427 F HA -0.098 4.462 4.527 0.055 0.000 0.296 427 F C 2.469 178.280 175.800 0.019 0.000 1.122 427 F CA 2.168 60.182 58.000 0.023 0.000 1.201 427 F CB -0.867 38.154 39.000 0.034 0.000 0.978 427 F HN 0.182 nan 8.300 nan 0.000 0.472 428 T N -0.208 114.319 114.554 -0.046 0.000 2.555 428 T HA -0.238 4.145 4.350 0.055 0.000 0.264 428 T C 1.909 176.532 174.700 -0.128 0.000 1.083 428 T CA 2.697 64.704 62.100 -0.155 0.000 1.179 428 T CB -0.916 67.927 68.868 -0.041 0.000 0.863 428 T HN 0.294 nan 8.240 nan 0.000 0.412 429 T N 2.056 116.583 114.554 -0.045 0.000 2.620 429 T HA -0.192 4.191 4.350 0.055 0.000 0.267 429 T C 2.109 176.781 174.700 -0.046 0.000 1.044 429 T CA 1.404 63.486 62.100 -0.031 0.000 1.161 429 T CB -0.327 68.541 68.868 0.000 0.000 0.862 429 T HN 0.323 nan 8.240 nan 0.000 0.438 430 R N 0.329 120.806 120.500 -0.039 0.000 2.117 430 R HA -0.058 4.315 4.340 0.055 0.000 0.243 430 R C 2.715 178.967 176.300 -0.080 0.000 1.143 430 R CA 1.290 57.367 56.100 -0.038 0.000 0.968 430 R CB -0.267 30.039 30.300 0.010 0.000 0.863 430 R HN 0.338 nan 8.270 nan 0.000 0.444 431 R N 0.104 120.505 120.500 -0.164 0.000 2.075 431 R HA -0.087 4.286 4.340 0.055 0.000 0.232 431 R C 2.281 178.521 176.300 -0.098 0.000 1.126 431 R CA 1.446 57.435 56.100 -0.185 0.000 0.963 431 R CB -0.217 29.879 30.300 -0.339 0.000 0.858 431 R HN 0.212 nan 8.270 nan 0.000 0.435 432 A N 1.146 123.916 122.820 -0.083 0.000 1.877 432 A HA -0.200 4.153 4.320 0.055 0.000 0.216 432 A C 1.851 179.432 177.584 -0.005 0.000 1.186 432 A CA 1.585 53.599 52.037 -0.039 0.000 0.620 432 A CB -0.495 18.485 19.000 -0.034 0.000 0.822 432 A HN 0.383 nan 8.150 nan 0.000 0.443 433 E N -0.280 119.917 120.200 -0.005 0.000 2.114 433 E HA -0.239 4.144 4.350 0.055 0.000 0.199 433 E C 1.960 178.597 176.600 0.061 0.000 1.008 433 E CA 1.564 57.979 56.400 0.026 0.000 0.810 433 E CB -0.437 29.266 29.700 0.006 0.000 0.739 433 E HN 0.732 nan 8.360 nan 0.000 0.456 434 I N 1.162 121.743 120.570 0.019 0.000 2.202 434 I HA -0.253 3.950 4.170 0.055 0.000 0.242 434 I C 2.672 178.862 176.117 0.122 0.000 1.091 434 I CA 0.900 62.227 61.300 0.044 0.000 1.368 434 I CB -0.399 37.583 38.000 -0.030 0.000 1.058 434 I HN 0.048 nan 8.210 nan 0.000 0.410 435 A N 1.013 123.869 122.820 0.060 0.000 1.859 435 A HA -0.307 4.046 4.320 0.055 0.000 0.217 435 A C 2.574 180.204 177.584 0.077 0.000 1.198 435 A CA 2.465 54.534 52.037 0.054 0.000 0.629 435 A CB -1.221 17.787 19.000 0.013 0.000 0.830 435 A HN 0.447 nan 8.150 nan 0.000 0.446 436 A N -1.787 121.077 122.820 0.073 0.000 1.903 436 A HA -0.280 4.073 4.320 0.055 0.000 0.219 436 A C 2.044 179.691 177.584 0.104 0.000 1.191 436 A CA 1.981 54.060 52.037 0.070 0.000 0.638 436 A CB -1.173 17.868 19.000 0.068 0.000 0.823 436 A HN 0.900 nan 8.150 nan 0.000 0.451 437 W N 1.180 122.465 121.300 -0.024 0.000 2.355 437 W HA -0.190 4.503 4.660 0.055 0.000 0.309 437 W C 2.052 178.556 176.519 -0.025 0.000 1.206 437 W CA 1.957 59.288 57.345 -0.022 0.000 1.284 437 W CB -0.178 29.270 29.460 -0.022 0.000 1.145 437 W HN 0.396 nan 8.180 nan 0.000 0.502 438 N N 0.128 118.998 118.700 0.284 0.000 2.069 438 N HA -0.226 4.547 4.740 0.055 0.000 0.191 438 N C 1.973 177.459 175.510 -0.040 0.000 1.031 438 N CA 2.249 55.384 53.050 0.140 0.000 0.852 438 N CB -1.371 37.204 38.487 0.147 0.000 1.018 438 N HN 0.296 nan 8.380 nan 0.000 0.423 439 S N -0.035 115.651 115.700 -0.024 0.000 2.419 439 S HA -0.105 4.397 4.470 0.055 0.000 0.235 439 S C 1.567 176.106 174.600 -0.103 0.000 1.019 439 S CA 1.579 59.748 58.200 -0.051 0.000 0.982 439 S CB -0.640 62.543 63.200 -0.029 0.000 0.789 439 S HN 0.339 nan 8.310 nan 0.000 0.490 440 T N 0.572 115.025 114.554 -0.170 0.000 3.107 440 T HA 0.307 4.690 4.350 0.055 0.000 0.249 440 T C 0.192 174.710 174.700 -0.303 0.000 1.096 440 T CA -0.163 61.806 62.100 -0.219 0.000 1.012 440 T CB -0.327 68.392 68.868 -0.248 0.000 0.977 440 T HN 0.437 nan 8.240 nan 0.000 0.527 441 N N 0.766 119.261 118.700 -0.343 0.000 2.335 441 N HA 0.553 5.326 4.740 0.055 0.000 0.304 441 N C 0.733 176.124 175.510 -0.199 0.000 1.135 441 N CA -0.911 51.916 53.050 -0.373 0.000 0.817 441 N CB 1.684 39.771 38.487 -0.667 0.000 1.294 441 N HN 0.165 nan 8.380 nan 0.000 0.497 442 R N -1.064 119.345 120.500 -0.153 0.000 2.556 442 R HA 0.315 4.688 4.340 0.055 0.000 0.276 442 R C 0.142 176.406 176.300 -0.061 0.000 0.931 442 R CA 0.137 56.184 56.100 -0.089 0.000 1.061 442 R CB 0.015 30.271 30.300 -0.074 0.000 1.432 442 R HN 0.385 nan 8.270 nan 0.000 0.547 443 T N 0.777 115.293 114.554 -0.064 0.000 3.021 443 T HA 0.367 4.749 4.350 0.055 0.000 0.245 443 T C 0.505 175.207 174.700 0.004 0.000 1.028 443 T CA 0.374 62.456 62.100 -0.030 0.000 1.139 443 T CB 0.155 69.006 68.868 -0.028 0.000 0.884 443 T HN -0.019 nan 8.240 nan 0.000 0.457 444 L N 0.613 121.850 121.223 0.023 0.000 2.332 444 L HA 0.829 5.202 4.340 0.055 0.000 0.269 444 L C -0.533 176.472 176.870 0.224 0.000 1.016 444 L CA -1.190 53.737 54.840 0.146 0.000 0.809 444 L CB 1.499 43.730 42.059 0.285 0.000 1.280 444 L HN 0.107 nan 8.230 nan 0.000 0.447 445 A N 1.170 124.181 122.820 0.319 0.000 2.555 445 A HA 0.627 4.980 4.320 0.055 0.000 0.297 445 A C -1.354 176.330 177.584 0.167 0.000 1.060 445 A CA -0.779 51.456 52.037 0.330 0.000 0.710 445 A CB 1.533 20.608 19.000 0.125 0.000 1.282 445 A HN 0.650 nan 8.150 nan 0.000 0.399 446 R N 0.991 121.560 120.500 0.114 0.000 2.407 446 R HA 0.656 5.029 4.340 0.055 0.000 0.303 446 R C 0.180 176.454 176.300 -0.044 0.000 0.981 446 R CA -0.302 55.747 56.100 -0.085 0.000 0.905 446 R CB 2.175 32.311 30.300 -0.274 0.000 1.099 446 R HN 0.902 nan 8.270 nan 0.000 0.459 447 G N 1.699 110.461 108.800 -0.064 0.000 2.537 447 G HA2 0.718 4.711 3.960 0.055 0.000 0.308 447 G HA3 0.718 4.711 3.960 0.055 0.000 0.308 447 G C -1.215 173.672 174.900 -0.021 0.000 1.237 447 G CA -0.591 44.484 45.100 -0.042 0.000 0.968 447 G HN 0.496 nan 8.290 nan 0.000 0.481 448 I N -0.002 120.585 120.570 0.027 0.000 2.692 448 I HA 0.681 4.884 4.170 0.055 0.000 0.293 448 I C -0.742 175.472 176.117 0.162 0.000 1.200 448 I CA -0.889 60.465 61.300 0.091 0.000 1.036 448 I CB 2.114 40.187 38.000 0.122 0.000 1.258 448 I HN 0.768 nan 8.210 nan 0.000 0.421 449 A N 7.118 130.038 122.820 0.166 0.000 2.475 449 A HA 0.749 5.101 4.320 0.055 0.000 0.301 449 A C -1.999 175.655 177.584 0.116 0.000 1.059 449 A CA -0.547 51.595 52.037 0.174 0.000 0.710 449 A CB 1.919 20.993 19.000 0.123 0.000 1.288 449 A HN 0.728 nan 8.150 nan 0.000 0.408 450 L N 2.158 123.433 121.223 0.087 0.000 2.322 450 L HA 0.813 5.185 4.340 0.055 0.000 0.281 450 L C -0.150 176.766 176.870 0.077 0.000 1.014 450 L CA -0.063 54.754 54.840 -0.038 0.000 0.815 450 L CB 1.817 43.722 42.059 -0.256 0.000 1.247 450 L HN 0.874 nan 8.230 nan 0.000 0.421 451 S N 4.905 120.659 115.700 0.089 0.000 2.538 451 S HA 0.779 5.282 4.470 0.055 0.000 0.288 451 S C -2.952 171.730 174.600 0.136 0.000 1.108 451 S CA -1.227 57.060 58.200 0.147 0.000 0.971 451 S CB 1.961 65.246 63.200 0.141 0.000 1.041 451 S HN 0.486 nan 8.310 nan 0.000 0.483 452 P HA 0.668 nan 4.420 nan 0.000 0.281 452 P C -1.159 176.180 177.300 0.066 0.000 1.281 452 P CA -0.838 62.301 63.100 0.065 0.000 0.811 452 P CB 1.005 32.702 31.700 -0.005 0.000 1.154 453 V N 0.172 120.116 119.914 0.049 0.000 2.733 453 V HA 0.441 4.594 4.120 0.055 0.000 0.306 453 V C -0.337 175.802 176.094 0.075 0.000 1.084 453 V CA -0.474 61.888 62.300 0.103 0.000 0.905 453 V CB 2.008 33.934 31.823 0.171 0.000 1.010 453 V HN 0.577 nan 8.190 nan 0.000 0.424 454 K N 4.525 124.959 120.400 0.056 0.000 2.656 454 K HA 0.513 4.866 4.320 0.055 0.000 0.241 454 K C -2.112 174.530 176.600 0.070 0.000 0.967 454 K CA -0.406 55.804 56.287 -0.128 0.000 0.946 454 K CB 1.170 33.584 32.500 -0.144 0.000 1.164 454 K HN 0.505 nan 8.250 nan 0.000 0.459 455 F N 2.284 122.169 119.950 -0.109 0.000 2.444 455 F HA 0.525 5.085 4.527 0.054 0.000 0.342 455 F C 0.363 176.036 175.800 -0.212 0.000 1.121 455 F CA -0.319 57.687 58.000 0.009 0.000 0.997 455 F CB 1.708 40.661 39.000 -0.078 0.000 1.130 455 F HN 0.593 nan 8.300 nan 0.000 0.454 456 G N 6.541 114.852 108.800 -0.815 0.000 2.370 456 G HA2 0.448 4.441 3.960 0.055 0.000 0.272 456 G HA3 0.448 4.441 3.960 0.055 0.000 0.272 456 G C -0.800 173.115 174.900 -1.641 0.000 1.208 456 G CA -0.528 43.367 45.100 -2.009 0.000 0.856 456 G HN 0.497 nan 8.290 nan 0.000 0.500 457 I N 1.588 121.455 120.570 -1.172 0.000 2.312 457 I HA 0.508 4.710 4.170 0.055 0.000 0.290 457 I C 0.225 176.135 176.117 -0.345 0.000 1.008 457 I CA -0.082 60.794 61.300 -0.706 0.000 1.226 457 I CB 0.141 37.537 38.000 -1.007 0.000 1.371 457 I HN 0.453 nan 8.210 nan 0.000 0.468 458 S N 4.660 120.228 115.700 -0.220 0.000 2.884 458 S HA 0.094 4.597 4.470 0.055 0.000 0.258 458 S C -0.687 173.811 174.600 -0.171 0.000 0.705 458 S CA -0.939 57.166 58.200 -0.159 0.000 0.984 458 S CB 0.008 63.183 63.200 -0.042 0.000 1.233 458 S HN 0.316 nan 8.310 nan 0.000 0.542 459 F N 2.634 122.532 119.950 -0.087 0.000 2.593 459 F HA 0.059 4.619 4.527 0.054 0.000 0.393 459 F C 2.326 178.064 175.800 -0.104 0.000 1.037 459 F CA 0.954 58.883 58.000 -0.118 0.000 1.195 459 F CB 0.285 39.197 39.000 -0.146 0.000 1.034 459 F HN 0.777 nan 8.300 nan 0.000 0.552 460 T N 0.596 115.190 114.554 0.068 0.000 2.962 460 T HA -0.076 4.307 4.350 0.055 0.000 0.270 460 T C 0.889 175.744 174.700 0.258 0.000 1.088 460 T CA 0.230 62.321 62.100 -0.017 0.000 1.127 460 T CB -0.008 68.852 68.868 -0.014 0.000 0.883 460 T HN 0.237 nan 8.240 nan 0.000 0.493 461 L N 3.595 124.943 121.223 0.209 0.000 2.454 461 L HA 0.302 4.675 4.340 0.055 0.000 0.284 461 L C 1.232 178.109 176.870 0.011 0.000 1.139 461 L CA 0.315 55.227 54.840 0.119 0.000 0.911 461 L CB -0.486 41.572 42.059 -0.002 0.000 1.262 461 L HN 0.299 nan 8.230 nan 0.000 0.453 462 T N 2.514 117.134 114.554 0.111 0.000 2.684 462 T HA -0.204 4.179 4.350 0.055 0.000 0.267 462 T C 1.668 176.383 174.700 0.025 0.000 1.036 462 T CA 1.917 64.072 62.100 0.093 0.000 1.148 462 T CB -0.325 68.633 68.868 0.150 0.000 0.863 462 T HN 0.706 nan 8.240 nan 0.000 0.436 463 H N 1.615 120.708 119.070 0.038 0.000 2.560 463 H HA 0.086 4.675 4.556 0.054 0.000 0.283 463 H C 1.699 177.012 175.328 -0.025 0.000 1.028 463 H CA 0.563 56.620 56.048 0.014 0.000 1.221 463 H CB -0.769 29.002 29.762 0.016 0.000 1.363 463 H HN 0.356 nan 8.280 nan 0.000 0.594 464 L N 0.774 121.704 121.223 -0.488 0.000 2.610 464 L HA -0.012 4.361 4.340 0.055 0.000 0.232 464 L C 0.551 177.278 176.870 -0.239 0.000 1.149 464 L CA 0.155 54.689 54.840 -0.510 0.000 0.872 464 L CB -0.280 41.188 42.059 -0.984 0.000 0.992 464 L HN 0.168 nan 8.230 nan 0.000 0.447 465 N N 2.390 121.078 118.700 -0.021 0.000 3.259 465 N HA 0.068 4.840 4.740 0.055 0.000 0.308 465 N C -0.315 175.176 175.510 -0.032 0.000 1.334 465 N CA 0.110 53.214 53.050 0.090 0.000 1.202 465 N CB 0.341 38.881 38.487 0.089 0.000 1.485 465 N HN 0.553 nan 8.380 nan 0.000 0.549 466 Q N -0.899 118.872 119.800 -0.048 0.000 2.421 466 Q HA 0.843 5.216 4.340 0.055 0.000 0.280 466 Q C -1.673 174.261 176.000 -0.110 0.000 1.085 466 Q CA -1.259 54.441 55.803 -0.172 0.000 0.807 466 Q CB 2.451 31.171 28.738 -0.030 0.000 1.405 466 Q HN 0.048 nan 8.270 nan 0.000 0.419 467 A N 0.651 123.329 122.820 -0.236 0.000 2.574 467 A HA 0.890 5.243 4.320 0.055 0.000 0.297 467 A C -0.904 176.649 177.584 -0.052 0.000 1.062 467 A CA -0.185 51.821 52.037 -0.052 0.000 0.686 467 A CB 1.972 20.983 19.000 0.019 0.000 1.285 467 A HN 0.905 nan 8.150 nan 0.000 0.403 468 G N -0.443 108.430 108.800 0.121 0.000 2.481 468 G HA2 0.857 4.850 3.960 0.055 0.000 0.315 468 G HA3 0.857 4.850 3.960 0.055 0.000 0.315 468 G C -0.555 174.446 174.900 0.167 0.000 1.231 468 G CA 0.016 45.242 45.100 0.209 0.000 0.968 468 G HN 1.831 nan 8.290 nan 0.000 0.482 469 A N 0.071 122.985 122.820 0.156 0.000 2.454 469 A HA 0.821 5.173 4.320 0.055 0.000 0.302 469 A C -1.596 176.049 177.584 0.101 0.000 1.079 469 A CA -0.645 51.475 52.037 0.137 0.000 0.731 469 A CB 2.100 21.171 19.000 0.118 0.000 1.299 469 A HN 1.406 nan 8.150 nan 0.000 0.413 470 L N 1.746 123.015 121.223 0.077 0.000 2.381 470 L HA 0.760 5.133 4.340 0.055 0.000 0.274 470 L C -1.448 175.435 176.870 0.022 0.000 0.988 470 L CA -0.325 54.541 54.840 0.042 0.000 0.824 470 L CB 2.071 44.149 42.059 0.032 0.000 1.263 470 L HN 0.480 nan 8.230 nan 0.000 0.410 471 V N 4.421 124.336 119.914 0.000 0.000 2.540 471 V HA 0.607 4.760 4.120 0.055 0.000 0.302 471 V C -0.778 175.269 176.094 -0.079 0.000 1.035 471 V CA -0.652 61.632 62.300 -0.026 0.000 0.873 471 V CB 1.665 33.480 31.823 -0.014 0.000 0.992 471 V HN 0.743 nan 8.190 nan 0.000 0.428 472 Q N 4.560 124.273 119.800 -0.145 0.000 2.337 472 Q HA 0.666 5.038 4.340 0.055 0.000 0.266 472 Q C -1.076 174.703 176.000 -0.368 0.000 1.023 472 Q CA -0.539 55.081 55.803 -0.305 0.000 0.829 472 Q CB 2.978 31.415 28.738 -0.502 0.000 1.306 472 Q HN 0.690 nan 8.270 nan 0.000 0.449 473 I N 2.329 122.703 120.570 -0.326 0.000 2.339 473 I HA 0.335 4.537 4.170 0.055 0.000 0.290 473 I C -0.499 175.427 176.117 -0.319 0.000 0.994 473 I CA -0.882 60.281 61.300 -0.228 0.000 1.191 473 I CB 0.631 38.606 38.000 -0.042 0.000 1.343 473 I HN 0.482 nan 8.210 nan 0.000 0.458 474 Y N 2.657 122.952 120.300 -0.008 0.000 2.326 474 Y HA 0.090 4.672 4.550 0.053 0.000 0.324 474 Y C 2.029 177.877 175.900 -0.087 0.000 1.291 474 Y CA -0.442 57.624 58.100 -0.057 0.000 1.348 474 Y CB 1.131 39.563 38.460 -0.046 0.000 1.294 474 Y HN 0.661 nan 8.280 nan 0.000 0.525 475 T N -3.314 111.250 114.554 0.017 0.000 2.977 475 T HA -0.181 4.202 4.350 0.055 0.000 0.271 475 T C 0.841 175.520 174.700 -0.037 0.000 1.105 475 T CA 1.314 63.349 62.100 -0.108 0.000 1.116 475 T CB -0.307 68.382 68.868 -0.298 0.000 0.878 475 T HN 0.759 nan 8.240 nan 0.000 0.509 476 D N 0.721 121.133 120.400 0.020 0.000 2.325 476 D HA 0.203 4.876 4.640 0.055 0.000 0.225 476 D C 1.621 177.971 176.300 0.083 0.000 1.096 476 D CA 0.450 54.472 54.000 0.036 0.000 0.844 476 D CB -0.671 40.143 40.800 0.024 0.000 0.925 476 D HN 0.556 nan 8.370 nan 0.000 0.513 477 G N 0.546 109.404 108.800 0.096 0.000 2.205 477 G HA2 -0.313 3.680 3.960 0.055 0.000 0.261 477 G HA3 -0.313 3.680 3.960 0.055 0.000 0.261 477 G C 0.430 175.495 174.900 0.276 0.000 0.980 477 G CA 0.543 45.754 45.100 0.185 0.000 0.632 477 G HN 0.790 nan 8.290 nan 0.000 0.533 478 S N -0.740 115.084 115.700 0.206 0.000 2.592 478 S HA 0.715 5.218 4.470 0.055 0.000 0.271 478 S C -0.024 174.705 174.600 0.215 0.000 1.326 478 S CA -0.178 58.139 58.200 0.195 0.000 1.024 478 S CB 2.649 65.939 63.200 0.151 0.000 0.921 478 S HN 1.052 nan 8.310 nan 0.000 0.527 479 V N 1.282 121.287 119.914 0.151 0.000 2.540 479 V HA 0.735 4.888 4.120 0.055 0.000 0.302 479 V C 0.151 176.297 176.094 0.087 0.000 1.035 479 V CA -0.798 61.552 62.300 0.084 0.000 0.873 479 V CB 1.377 33.227 31.823 0.046 0.000 0.992 479 V HN 1.180 nan 8.190 nan 0.000 0.428 480 A N 4.987 127.841 122.820 0.057 0.000 2.249 480 A HA 0.791 5.144 4.320 0.055 0.000 0.314 480 A C -0.923 176.667 177.584 0.009 0.000 1.290 480 A CA -0.357 51.725 52.037 0.075 0.000 0.893 480 A CB 0.702 19.810 19.000 0.179 0.000 1.165 480 A HN 0.781 nan 8.150 nan 0.000 0.530 481 L N 3.080 124.307 121.223 0.006 0.000 2.317 481 L HA 0.596 4.969 4.340 0.055 0.000 0.281 481 L C -0.397 176.471 176.870 -0.002 0.000 1.024 481 L CA -0.168 54.679 54.840 0.012 0.000 0.810 481 L CB 1.264 43.337 42.059 0.023 0.000 1.240 481 L HN 0.769 nan 8.230 nan 0.000 0.427 482 N N 2.431 121.147 118.700 0.028 0.000 2.369 482 N HA 0.392 5.165 4.740 0.055 0.000 0.287 482 N C -1.692 173.854 175.510 0.061 0.000 1.067 482 N CA -0.352 52.687 53.050 -0.019 0.000 0.888 482 N CB 1.421 39.894 38.487 -0.024 0.000 1.616 482 N HN 0.952 nan 8.380 nan 0.000 0.482 483 H N -0.494 118.609 119.070 0.054 0.000 2.941 483 H HA 0.515 5.107 4.556 0.059 0.000 0.344 483 H C 0.934 176.307 175.328 0.075 0.000 1.235 483 H CA -0.657 55.430 56.048 0.066 0.000 1.149 483 H CB 0.693 30.495 29.762 0.067 0.000 1.885 483 H HN 0.392 nan 8.280 nan 0.000 0.558 484 G N -0.371 108.548 108.800 0.198 0.000 2.534 484 G HA2 0.117 4.109 3.960 0.055 0.000 0.217 484 G HA3 0.117 4.109 3.960 0.055 0.000 0.217 484 G C 0.755 175.743 174.900 0.146 0.000 1.128 484 G CA 0.146 45.322 45.100 0.126 0.000 0.784 484 G HN 0.881 nan 8.290 nan 0.000 0.542 485 G N 0.282 109.317 108.800 0.392 0.000 2.491 485 G HA2 0.420 4.413 3.960 0.055 0.000 0.242 485 G HA3 0.420 4.413 3.960 0.055 0.000 0.242 485 G C 0.135 175.090 174.900 0.092 0.000 1.266 485 G CA 0.431 45.695 45.100 0.274 0.000 0.844 485 G HN 0.368 nan 8.290 nan 0.000 0.571 486 T N -0.862 113.690 114.554 -0.003 0.000 2.823 486 T HA 0.515 4.898 4.350 0.055 0.000 0.279 486 T C -0.358 174.247 174.700 -0.158 0.000 0.998 486 T CA -0.841 61.215 62.100 -0.073 0.000 0.994 486 T CB 2.257 71.100 68.868 -0.040 0.000 0.960 486 T HN 0.460 nan 8.240 nan 0.000 0.448 487 E N 3.239 123.295 120.200 -0.239 0.000 2.152 487 E HA 0.375 4.758 4.350 0.055 0.000 0.285 487 E C 0.445 177.009 176.600 -0.060 0.000 1.043 487 E CA -0.626 55.638 56.400 -0.227 0.000 0.839 487 E CB 0.593 30.123 29.700 -0.283 0.000 1.069 487 E HN 0.786 nan 8.360 nan 0.000 0.399 488 M N 2.485 122.049 119.600 -0.060 0.000 2.504 488 M HA 0.481 4.994 4.480 0.055 0.000 0.370 488 M C 0.716 176.978 176.300 -0.063 0.000 1.110 488 M CA 0.142 55.394 55.300 -0.080 0.000 0.938 488 M CB 0.780 33.269 32.600 -0.185 0.000 1.460 488 M HN 0.574 nan 8.290 nan 0.000 0.535 489 G N 1.747 110.588 108.800 0.068 0.000 2.205 489 G HA2 -0.227 3.765 3.960 0.055 0.000 0.180 489 G HA3 -0.227 3.765 3.960 0.055 0.000 0.180 489 G C 0.721 175.721 174.900 0.167 0.000 1.004 489 G CA 0.309 45.492 45.100 0.139 0.000 0.670 489 G HN 0.592 nan 8.290 nan 0.000 0.496 490 Q N 1.365 121.215 119.800 0.084 0.000 2.444 490 Q HA 0.327 4.700 4.340 0.055 0.000 0.206 490 Q C 1.590 177.631 176.000 0.068 0.000 0.948 490 Q CA 1.272 57.109 55.803 0.056 0.000 0.946 490 Q CB -0.211 28.523 28.738 -0.007 0.000 1.027 490 Q HN 1.850 nan 8.270 nan 0.000 0.513 491 G N 1.767 110.624 108.800 0.096 0.000 2.147 491 G HA2 -0.312 3.681 3.960 0.055 0.000 0.244 491 G HA3 -0.312 3.681 3.960 0.055 0.000 0.244 491 G C 0.400 175.248 174.900 -0.087 0.000 1.005 491 G CA 0.426 45.512 45.100 -0.022 0.000 0.713 491 G HN 0.413 nan 8.290 nan 0.000 0.515 492 L N 0.157 121.322 121.223 -0.096 0.000 1.994 492 L HA 0.028 4.400 4.340 0.055 0.000 0.208 492 L C 2.508 179.353 176.870 -0.041 0.000 1.071 492 L CA 2.974 57.755 54.840 -0.098 0.000 0.745 492 L CB -0.667 41.312 42.059 -0.133 0.000 0.892 492 L HN 0.365 nan 8.230 nan 0.000 0.431 493 H N 0.065 119.124 119.070 -0.019 0.000 2.353 493 H HA -0.115 4.473 4.556 0.054 0.000 0.298 493 H C 2.189 177.481 175.328 -0.060 0.000 1.103 493 H CA 1.550 57.607 56.048 0.016 0.000 1.293 493 H CB -0.754 28.997 29.762 -0.019 0.000 1.372 493 H HN 0.540 nan 8.280 nan 0.000 0.501 494 A N 1.187 123.999 122.820 -0.014 0.000 1.902 494 A HA -0.169 4.183 4.320 0.055 0.000 0.217 494 A C 2.351 179.909 177.584 -0.044 0.000 1.181 494 A CA 1.611 53.615 52.037 -0.056 0.000 0.623 494 A CB -0.245 18.692 19.000 -0.104 0.000 0.818 494 A HN 0.376 nan 8.150 nan 0.000 0.443 495 K N -1.103 119.269 120.400 -0.047 0.000 2.097 495 K HA -0.068 4.285 4.320 0.055 0.000 0.205 495 K C 1.949 178.515 176.600 -0.057 0.000 1.050 495 K CA 1.325 57.579 56.287 -0.054 0.000 0.938 495 K CB -0.251 32.216 32.500 -0.055 0.000 0.718 495 K HN 0.321 nan 8.250 nan 0.000 0.442 496 M N 0.597 120.165 119.600 -0.054 0.000 2.175 496 M HA -0.106 4.406 4.480 0.055 0.000 0.264 496 M C 2.292 178.578 176.300 -0.023 0.000 1.063 496 M CA 1.208 56.465 55.300 -0.072 0.000 1.119 496 M CB -0.763 31.757 32.600 -0.132 0.000 1.377 496 M HN -0.083 nan 8.290 nan 0.000 0.415 497 V N 0.290 120.198 119.914 -0.009 0.000 2.343 497 V HA -0.293 3.860 4.120 0.055 0.000 0.247 497 V C 2.386 178.450 176.094 -0.049 0.000 1.051 497 V CA 1.684 63.969 62.300 -0.024 0.000 1.036 497 V CB -0.646 31.159 31.823 -0.030 0.000 0.654 497 V HN 0.522 nan 8.190 nan 0.000 0.451 498 Q N -0.914 118.848 119.800 -0.064 0.000 2.124 498 Q HA -0.158 4.215 4.340 0.055 0.000 0.202 498 Q C 2.312 178.241 176.000 -0.118 0.000 0.977 498 Q CA 1.697 57.442 55.803 -0.097 0.000 0.850 498 Q CB -0.265 28.408 28.738 -0.108 0.000 0.901 498 Q HN 0.536 nan 8.270 nan 0.000 0.429 499 V N 0.934 120.802 119.914 -0.076 0.000 2.237 499 V HA -0.317 3.836 4.120 0.055 0.000 0.245 499 V C 2.276 178.372 176.094 0.005 0.000 1.046 499 V CA 1.994 64.289 62.300 -0.009 0.000 1.007 499 V CB -1.040 30.828 31.823 0.074 0.000 0.638 499 V HN 0.438 nan 8.190 nan 0.000 0.445 500 A N -0.138 122.675 122.820 -0.012 0.000 1.883 500 A HA -0.181 4.172 4.320 0.055 0.000 0.217 500 A C 2.424 179.973 177.584 -0.058 0.000 1.186 500 A CA 2.391 54.416 52.037 -0.021 0.000 0.624 500 A CB -0.927 18.061 19.000 -0.019 0.000 0.822 500 A HN 0.614 nan 8.150 nan 0.000 0.444 501 A N -0.165 122.608 122.820 -0.078 0.000 1.883 501 A HA 0.104 4.457 4.320 0.055 0.000 0.217 501 A C 2.534 180.053 177.584 -0.109 0.000 1.186 501 A CA 2.354 54.326 52.037 -0.109 0.000 0.624 501 A CB -1.110 17.829 19.000 -0.101 0.000 0.822 501 A HN 1.149 nan 8.150 nan 0.000 0.444 502 A N -0.698 122.056 122.820 -0.111 0.000 1.933 502 A HA 0.004 4.357 4.320 0.055 0.000 0.218 502 A C 2.218 179.787 177.584 -0.024 0.000 1.175 502 A CA 1.887 53.852 52.037 -0.120 0.000 0.628 502 A CB -0.834 17.993 19.000 -0.288 0.000 0.814 502 A HN 0.432 nan 8.150 nan 0.000 0.444 503 V N -0.232 119.696 119.914 0.022 0.000 2.379 503 V HA -0.160 3.993 4.120 0.055 0.000 0.245 503 V C 2.386 178.447 176.094 -0.055 0.000 1.044 503 V CA 1.653 63.976 62.300 0.038 0.000 1.036 503 V CB -0.667 31.188 31.823 0.053 0.000 0.664 503 V HN 0.542 nan 8.190 nan 0.000 0.453 504 L N 0.451 121.609 121.223 -0.108 0.000 2.395 504 L HA 0.246 4.619 4.340 0.055 0.000 0.218 504 L C 1.619 178.396 176.870 -0.154 0.000 1.130 504 L CA 0.943 55.667 54.840 -0.194 0.000 0.826 504 L CB -0.549 41.353 42.059 -0.262 0.000 0.941 504 L HN 0.573 nan 8.230 nan 0.000 0.451 505 G N 1.586 110.331 108.800 -0.091 0.000 2.248 505 G HA2 -0.245 3.748 3.960 0.055 0.000 0.252 505 G HA3 -0.245 3.748 3.960 0.055 0.000 0.252 505 G C -0.043 174.805 174.900 -0.088 0.000 1.085 505 G CA 0.429 45.528 45.100 -0.001 0.000 0.845 505 G HN 0.452 nan 8.290 nan 0.000 0.494 506 I N -3.983 116.470 120.570 -0.194 0.000 3.074 506 I HA 0.761 4.964 4.170 0.055 0.000 0.310 506 I C -0.573 175.458 176.117 -0.144 0.000 1.153 506 I CA -1.618 59.541 61.300 -0.234 0.000 0.993 506 I CB 2.006 39.706 38.000 -0.500 0.000 1.237 506 I HN -0.032 nan 8.210 nan 0.000 0.443 507 D N 3.652 123.991 120.400 -0.101 0.000 2.389 507 D HA 0.238 4.910 4.640 0.055 0.000 0.247 507 D C -1.698 174.560 176.300 -0.070 0.000 1.128 507 D CA -1.885 52.074 54.000 -0.067 0.000 0.884 507 D CB 1.686 42.464 40.800 -0.038 0.000 1.194 507 D HN 0.307 nan 8.370 nan 0.000 0.441 508 P HA -0.217 nan 4.420 nan 0.000 0.220 508 P C 1.593 178.868 177.300 -0.041 0.000 1.155 508 P CA 0.836 63.903 63.100 -0.056 0.000 0.880 508 P CB 0.162 31.831 31.700 -0.051 0.000 0.790 509 V N -0.229 119.666 119.914 -0.031 0.000 2.568 509 V HA -0.226 3.926 4.120 0.055 0.000 0.253 509 V C 2.322 178.410 176.094 -0.009 0.000 1.072 509 V CA 1.671 63.960 62.300 -0.018 0.000 1.084 509 V CB -1.140 30.676 31.823 -0.012 0.000 0.676 509 V HN 0.180 nan 8.190 nan 0.000 0.469 510 Q N -0.490 119.302 119.800 -0.014 0.000 2.472 510 Q HA 0.112 4.485 4.340 0.055 0.000 0.208 510 Q C 0.333 176.340 176.000 0.011 0.000 0.958 510 Q CA 0.386 56.193 55.803 0.007 0.000 0.932 510 Q CB 0.275 29.009 28.738 -0.007 0.000 1.007 510 Q HN 0.520 nan 8.270 nan 0.000 0.508 511 V N 1.579 121.487 119.914 -0.010 0.000 2.357 511 V HA 0.352 4.505 4.120 0.055 0.000 0.284 511 V C -0.137 175.951 176.094 -0.010 0.000 1.018 511 V CA -0.889 61.407 62.300 -0.008 0.000 0.841 511 V CB 1.712 33.519 31.823 -0.028 0.000 0.991 511 V HN 0.008 nan 8.190 nan 0.000 0.437 512 R N 4.073 124.575 120.500 0.003 0.000 2.407 512 R HA 0.657 5.030 4.340 0.055 0.000 0.303 512 R C -0.940 175.335 176.300 -0.042 0.000 0.981 512 R CA -0.466 55.625 56.100 -0.016 0.000 0.905 512 R CB 1.418 31.721 30.300 0.005 0.000 1.099 512 R HN 0.656 nan 8.270 nan 0.000 0.459 513 I N 3.358 123.870 120.570 -0.096 0.000 2.385 513 I HA 0.348 4.551 4.170 0.055 0.000 0.294 513 I C -0.490 175.512 176.117 -0.191 0.000 0.988 513 I CA 0.276 61.465 61.300 -0.185 0.000 1.265 513 I CB 1.618 39.411 38.000 -0.345 0.000 1.388 513 I HN 0.888 nan 8.210 nan 0.000 0.480 514 T N 4.442 118.885 114.554 -0.185 0.000 2.945 514 T HA 0.821 5.204 4.350 0.055 0.000 0.286 514 T C 0.091 174.694 174.700 -0.161 0.000 1.025 514 T CA -0.713 61.309 62.100 -0.130 0.000 1.039 514 T CB 1.325 70.154 68.868 -0.064 0.000 1.068 514 T HN 0.863 nan 8.240 nan 0.000 0.497 515 A N 2.383 125.148 122.820 -0.092 0.000 2.565 515 A HA 0.419 4.772 4.320 0.055 0.000 0.237 515 A C 0.913 178.462 177.584 -0.058 0.000 1.053 515 A CA -0.253 51.752 52.037 -0.053 0.000 0.755 515 A CB -0.852 18.140 19.000 -0.013 0.000 0.980 515 A HN 0.932 nan 8.150 nan 0.000 0.506 516 T N 2.313 116.844 114.554 -0.040 0.000 2.934 516 T HA 0.326 4.709 4.350 0.055 0.000 0.306 516 T C -0.156 174.525 174.700 -0.031 0.000 1.042 516 T CA 0.521 62.592 62.100 -0.048 0.000 1.145 516 T CB 0.233 69.084 68.868 -0.028 0.000 0.982 516 T HN 0.677 nan 8.240 nan 0.000 0.544 517 D N 1.565 121.947 120.400 -0.030 0.000 2.591 517 D HA 0.099 4.772 4.640 0.055 0.000 0.222 517 D C 1.208 177.497 176.300 -0.018 0.000 1.360 517 D CA -0.416 53.566 54.000 -0.030 0.000 0.967 517 D CB 1.332 42.115 40.800 -0.029 0.000 1.456 517 D HN 0.518 nan 8.370 nan 0.000 0.588 518 T N 0.009 114.549 114.554 -0.023 0.000 2.849 518 T HA -0.174 4.209 4.350 0.055 0.000 0.270 518 T C 1.653 176.354 174.700 0.003 0.000 1.066 518 T CA 1.644 63.740 62.100 -0.007 0.000 1.130 518 T CB -0.207 68.644 68.868 -0.029 0.000 0.864 518 T HN 0.281 nan 8.240 nan 0.000 0.481 519 S N 0.455 116.150 115.700 -0.010 0.000 2.561 519 S HA 0.183 4.686 4.470 0.055 0.000 0.225 519 S C 1.757 176.361 174.600 0.005 0.000 0.977 519 S CA 0.017 58.217 58.200 -0.001 0.000 0.926 519 S CB -0.167 63.026 63.200 -0.013 0.000 0.769 519 S HN 0.565 nan 8.310 nan 0.000 0.533 520 K N 0.372 120.775 120.400 0.006 0.000 2.161 520 K HA 0.286 4.639 4.320 0.055 0.000 0.205 520 K C -0.326 176.291 176.600 0.028 0.000 1.035 520 K CA 0.512 56.806 56.287 0.012 0.000 0.970 520 K CB 0.342 32.844 32.500 0.003 0.000 0.866 520 K HN 0.159 nan 8.250 nan 0.000 0.461 521 V N 4.429 124.364 119.914 0.036 0.000 2.357 521 V HA 0.286 4.438 4.120 0.055 0.000 0.284 521 V C -2.405 173.730 176.094 0.068 0.000 1.018 521 V CA -1.790 60.548 62.300 0.064 0.000 0.841 521 V CB 1.332 33.205 31.823 0.084 0.000 0.991 521 V HN 0.187 nan 8.190 nan 0.000 0.437 522 P HA 0.434 nan 4.420 nan 0.000 0.286 522 P C -0.480 176.885 177.300 0.108 0.000 1.292 522 P CA -0.643 62.505 63.100 0.080 0.000 0.842 522 P CB 0.732 32.473 31.700 0.069 0.000 1.207 523 N N -1.904 116.865 118.700 0.116 0.000 2.727 523 N HA -0.111 4.662 4.740 0.055 0.000 0.249 523 N C -0.087 175.510 175.510 0.144 0.000 1.048 523 N CA 1.235 54.369 53.050 0.139 0.000 0.714 523 N CB -2.282 36.282 38.487 0.129 0.000 0.959 523 N HN 0.691 nan 8.380 nan 0.000 0.544 524 T N -3.285 111.348 114.554 0.132 0.000 2.909 524 T HA 0.585 4.968 4.350 0.055 0.000 0.286 524 T C 0.738 175.460 174.700 0.037 0.000 1.002 524 T CA -0.601 61.554 62.100 0.091 0.000 1.074 524 T CB 1.899 70.815 68.868 0.080 0.000 0.984 524 T HN 0.087 nan 8.240 nan 0.000 0.495 525 S N 1.191 116.819 115.700 -0.121 0.000 2.608 525 S HA 0.568 5.071 4.470 0.055 0.000 0.261 525 S C 0.924 175.113 174.600 -0.684 0.000 1.314 525 S CA -0.557 57.391 58.200 -0.419 0.000 0.992 525 S CB 0.230 63.101 63.200 -0.547 0.000 0.935 525 S HN 1.143 nan 8.310 nan 0.000 0.564 526 A N 1.155 123.278 122.820 -1.162 0.000 2.429 526 A HA 0.373 4.725 4.320 0.055 0.000 0.242 526 A C 0.383 177.866 177.584 -0.168 0.000 1.088 526 A CA -0.226 51.364 52.037 -0.745 0.000 0.784 526 A CB -0.244 18.480 19.000 -0.460 0.000 1.038 526 A HN 0.675 nan 8.150 nan 0.000 0.501 527 T N 1.507 116.016 114.554 -0.074 0.000 2.875 527 T HA 0.565 4.948 4.350 0.055 0.000 0.307 527 T C 0.058 174.757 174.700 -0.001 0.000 1.013 527 T CA 0.758 62.856 62.100 -0.004 0.000 0.970 527 T CB -0.325 68.526 68.868 -0.027 0.000 0.986 527 T HN 1.316 nan 8.240 nan 0.000 0.536 528 A N 1.986 124.826 122.820 0.032 0.000 2.540 528 A HA 0.836 5.189 4.320 0.055 0.000 0.291 528 A C 0.270 177.603 177.584 -0.419 0.000 1.083 528 A CA -0.383 51.602 52.037 -0.087 0.000 0.650 528 A CB 0.168 19.175 19.000 0.012 0.000 1.292 528 A HN 1.622 nan 8.150 nan 0.000 0.435 529 A N -0.200 122.325 122.820 -0.492 0.000 2.822 529 A HA 0.135 4.488 4.320 0.055 0.000 0.287 529 A C 1.066 178.413 177.584 -0.395 0.000 1.479 529 A CA 1.679 53.355 52.037 -0.600 0.000 0.779 529 A CB -2.657 15.585 19.000 -1.263 0.000 1.022 529 A HN 2.579 nan 8.150 nan 0.000 0.532 530 S N -2.487 113.074 115.700 -0.232 0.000 3.405 530 S HA -0.298 4.205 4.470 0.055 0.000 0.378 530 S C 1.104 175.614 174.600 -0.151 0.000 1.012 530 S CA 1.704 59.814 58.200 -0.149 0.000 1.144 530 S CB -2.493 60.644 63.200 -0.106 0.000 0.903 530 S HN 2.474 nan 8.310 nan 0.000 0.470 531 S N -0.583 114.992 115.700 -0.208 0.000 2.502 531 S HA 0.380 4.883 4.470 0.055 0.000 0.215 531 S C 2.003 176.577 174.600 -0.043 0.000 1.009 531 S CA 0.447 58.561 58.200 -0.143 0.000 0.908 531 S CB -0.214 62.834 63.200 -0.254 0.000 0.801 531 S HN 0.801 nan 8.310 nan 0.000 0.505 532 G N 2.627 111.401 108.800 -0.043 0.000 2.672 532 G HA2 -0.193 3.800 3.960 0.055 0.000 0.218 532 G HA3 -0.193 3.800 3.960 0.055 0.000 0.218 532 G C 1.697 176.567 174.900 -0.051 0.000 1.238 532 G CA 1.384 46.471 45.100 -0.022 0.000 0.791 532 G HN 0.833 nan 8.290 nan 0.000 0.606 533 A N 0.357 123.139 122.820 -0.065 0.000 1.972 533 A HA -0.028 4.324 4.320 0.055 0.000 0.219 533 A C 2.109 179.645 177.584 -0.080 0.000 1.169 533 A CA 2.260 54.247 52.037 -0.084 0.000 0.635 533 A CB -0.481 18.484 19.000 -0.059 0.000 0.810 533 A HN 0.351 nan 8.150 nan 0.000 0.446 534 D N -0.180 120.192 120.400 -0.048 0.000 2.087 534 D HA -0.160 4.513 4.640 0.055 0.000 0.192 534 D C 2.164 178.380 176.300 -0.139 0.000 0.993 534 D CA 1.895 55.862 54.000 -0.054 0.000 0.828 534 D CB -0.289 40.529 40.800 0.030 0.000 0.968 534 D HN 0.509 nan 8.370 nan 0.000 0.448 535 M N -0.200 119.369 119.600 -0.052 0.000 2.248 535 M HA -0.012 4.500 4.480 0.055 0.000 0.265 535 M C 1.792 178.046 176.300 -0.078 0.000 1.079 535 M CA 0.715 56.015 55.300 -0.001 0.000 1.150 535 M CB -0.243 32.470 32.600 0.187 0.000 1.366 535 M HN -0.034 nan 8.290 nan 0.000 0.433 536 N N 0.960 119.617 118.700 -0.072 0.000 2.142 536 N HA -0.085 4.687 4.740 0.055 0.000 0.186 536 N C 1.924 177.336 175.510 -0.163 0.000 1.023 536 N CA 1.629 54.617 53.050 -0.104 0.000 0.852 536 N CB -0.458 37.935 38.487 -0.157 0.000 0.998 536 N HN 0.434 nan 8.380 nan 0.000 0.424 537 G N 2.278 110.970 108.800 -0.179 0.000 2.529 537 G HA2 -0.271 3.721 3.960 0.055 0.000 0.219 537 G HA3 -0.271 3.721 3.960 0.055 0.000 0.219 537 G C 1.548 176.339 174.900 -0.181 0.000 1.177 537 G CA 0.929 45.939 45.100 -0.150 0.000 0.773 537 G HN 0.154 nan 8.290 nan 0.000 0.573 538 M N 1.058 120.464 119.600 -0.323 0.000 2.086 538 M HA 0.046 4.559 4.480 0.055 0.000 0.261 538 M C 3.069 179.255 176.300 -0.190 0.000 1.067 538 M CA 1.291 56.336 55.300 -0.425 0.000 1.116 538 M CB -1.482 30.446 32.600 -1.120 0.000 1.348 538 M HN 0.332 nan 8.290 nan 0.000 0.407 539 A N -0.102 122.655 122.820 -0.105 0.000 1.908 539 A HA -0.102 4.250 4.320 0.055 0.000 0.218 539 A C 2.489 180.081 177.584 0.013 0.000 1.181 539 A CA 1.979 54.018 52.037 0.004 0.000 0.627 539 A CB -1.029 17.990 19.000 0.031 0.000 0.818 539 A HN 0.301 nan 8.150 nan 0.000 0.445 540 V N 0.652 120.556 119.914 -0.017 0.000 2.307 540 V HA -0.259 3.894 4.120 0.055 0.000 0.245 540 V C 2.590 178.683 176.094 -0.003 0.000 1.045 540 V CA 2.311 64.612 62.300 0.001 0.000 1.024 540 V CB -0.641 31.168 31.823 -0.022 0.000 0.651 540 V HN 0.752 nan 8.190 nan 0.000 0.449 541 K N 0.326 120.712 120.400 -0.023 0.000 2.209 541 K HA -0.272 4.081 4.320 0.055 0.000 0.204 541 K C 1.780 178.364 176.600 -0.028 0.000 1.048 541 K CA 2.158 58.431 56.287 -0.023 0.000 0.940 541 K CB -0.258 32.199 32.500 -0.072 0.000 0.729 541 K HN 0.576 nan 8.250 nan 0.000 0.451 542 D N 0.084 120.474 120.400 -0.016 0.000 2.123 542 D HA -0.062 4.610 4.640 0.055 0.000 0.200 542 D C 1.755 178.067 176.300 0.020 0.000 0.976 542 D CA 1.324 55.331 54.000 0.012 0.000 0.831 542 D CB 0.061 40.893 40.800 0.054 0.000 0.974 542 D HN 0.302 nan 8.370 nan 0.000 0.469 543 A N -0.395 122.441 122.820 0.026 0.000 1.897 543 A HA -0.079 4.274 4.320 0.055 0.000 0.215 543 A C 2.545 180.128 177.584 -0.001 0.000 1.181 543 A CA 1.168 53.218 52.037 0.021 0.000 0.620 543 A CB -0.983 18.035 19.000 0.030 0.000 0.821 543 A HN 0.488 nan 8.150 nan 0.000 0.443 544 C N -0.454 118.842 119.300 -0.007 0.000 2.413 544 C HA -0.122 4.371 4.460 0.055 0.000 0.276 544 C C 2.680 177.642 174.990 -0.045 0.000 1.236 544 C CA 1.357 60.361 59.018 -0.024 0.000 1.735 544 C CB -1.275 26.454 27.740 -0.018 0.000 2.031 544 C HN 0.686 nan 8.230 nan 0.000 0.474 545 E N -0.130 120.049 120.200 -0.036 0.000 2.106 545 E HA -0.162 4.221 4.350 0.055 0.000 0.192 545 E C 2.146 178.722 176.600 -0.040 0.000 0.984 545 E CA 1.621 57.994 56.400 -0.046 0.000 0.806 545 E CB -0.251 29.430 29.700 -0.032 0.000 0.750 545 E HN 0.597 nan 8.360 nan 0.000 0.458 546 T N 1.546 116.088 114.554 -0.021 0.000 2.652 546 T HA -0.171 4.212 4.350 0.055 0.000 0.267 546 T C 1.941 176.624 174.700 -0.028 0.000 1.039 546 T CA 1.008 63.100 62.100 -0.014 0.000 1.153 546 T CB -0.275 68.592 68.868 -0.001 0.000 0.863 546 T HN 0.073 nan 8.240 nan 0.000 0.428 547 L N 0.346 121.548 121.223 -0.035 0.000 2.012 547 L HA -0.109 4.264 4.340 0.055 0.000 0.210 547 L C 2.959 179.783 176.870 -0.078 0.000 1.073 547 L CA 1.418 56.233 54.840 -0.042 0.000 0.748 547 L CB -0.472 41.571 42.059 -0.027 0.000 0.891 547 L HN 0.132 nan 8.230 nan 0.000 0.431 548 R N 0.160 120.572 120.500 -0.147 0.000 2.091 548 R HA -0.171 4.202 4.340 0.055 0.000 0.238 548 R C 2.225 178.431 176.300 -0.156 0.000 1.136 548 R CA 1.655 57.564 56.100 -0.318 0.000 0.959 548 R CB -0.677 29.376 30.300 -0.412 0.000 0.856 548 R HN 0.469 nan 8.270 nan 0.000 0.437 549 G N 0.696 109.457 108.800 -0.066 0.000 2.469 549 G HA2 -0.290 3.703 3.960 0.055 0.000 0.219 549 G HA3 -0.290 3.703 3.960 0.055 0.000 0.219 549 G C 1.518 176.440 174.900 0.036 0.000 1.150 549 G CA 0.711 45.812 45.100 0.002 0.000 0.763 549 G HN 0.348 nan 8.290 nan 0.000 0.561 550 R N -0.313 120.198 120.500 0.019 0.000 2.081 550 R HA 0.070 4.443 4.340 0.055 0.000 0.235 550 R C 2.652 179.014 176.300 0.103 0.000 1.131 550 R CA 1.041 57.165 56.100 0.040 0.000 0.960 550 R CB -0.433 29.866 30.300 -0.001 0.000 0.856 550 R HN 0.351 nan 8.270 nan 0.000 0.436 551 L N -0.105 121.188 121.223 0.117 0.000 2.093 551 L HA -0.080 4.293 4.340 0.055 0.000 0.208 551 L C 2.676 179.779 176.870 0.387 0.000 1.085 551 L CA 0.997 55.999 54.840 0.270 0.000 0.755 551 L CB -0.594 41.661 42.059 0.327 0.000 0.904 551 L HN 0.230 nan 8.230 nan 0.000 0.435 552 A N 0.643 123.675 122.820 0.352 0.000 1.877 552 A HA -0.113 4.240 4.320 0.055 0.000 0.216 552 A C 2.406 180.090 177.584 0.166 0.000 1.186 552 A CA 1.737 53.963 52.037 0.316 0.000 0.620 552 A CB -1.266 17.909 19.000 0.292 0.000 0.822 552 A HN 0.417 nan 8.150 nan 0.000 0.443 553 G N -1.435 107.452 108.800 0.145 0.000 2.443 553 G HA2 -0.160 3.832 3.960 0.055 0.000 0.219 553 G HA3 -0.160 3.832 3.960 0.055 0.000 0.219 553 G C 1.406 176.367 174.900 0.102 0.000 1.131 553 G CA 1.156 46.315 45.100 0.098 0.000 0.775 553 G HN 0.554 nan 8.290 nan 0.000 0.547 554 F N 1.230 121.179 119.950 -0.001 0.000 2.149 554 F HA 0.035 4.595 4.527 0.056 0.000 0.294 554 F C 2.517 178.280 175.800 -0.062 0.000 1.095 554 F CA 1.135 59.115 58.000 -0.034 0.000 1.276 554 F CB -0.413 38.560 39.000 -0.045 0.000 1.023 554 F HN -0.022 nan 8.300 nan 0.000 0.480 555 V N 1.263 120.961 119.914 -0.359 0.000 2.295 555 V HA -0.308 3.845 4.120 0.055 0.000 0.246 555 V C 2.880 178.781 176.094 -0.322 0.000 1.049 555 V CA 1.951 63.951 62.300 -0.500 0.000 1.024 555 V CB -1.709 29.945 31.823 -0.283 0.000 0.648 555 V HN 0.533 nan 8.190 nan 0.000 0.447 556 A N 0.100 122.831 122.820 -0.147 0.000 1.892 556 A HA -0.214 4.139 4.320 0.055 0.000 0.218 556 A C 2.398 179.917 177.584 -0.108 0.000 1.188 556 A CA 2.464 54.452 52.037 -0.082 0.000 0.631 556 A CB -0.911 18.079 19.000 -0.017 0.000 0.822 556 A HN 0.623 nan 8.150 nan 0.000 0.447 557 A N -1.212 121.530 122.820 -0.130 0.000 2.015 557 A HA -0.092 4.260 4.320 0.055 0.000 0.219 557 A C 2.247 179.732 177.584 -0.165 0.000 1.163 557 A CA 1.530 53.498 52.037 -0.116 0.000 0.646 557 A CB -0.392 18.561 19.000 -0.078 0.000 0.806 557 A HN 0.536 nan 8.150 nan 0.000 0.448 558 R N -0.634 119.688 120.500 -0.296 0.000 2.080 558 R HA -0.016 4.357 4.340 0.055 0.000 0.222 558 R C 0.851 177.051 176.300 -0.167 0.000 1.107 558 R CA 1.055 56.981 56.100 -0.290 0.000 0.980 558 R CB 0.050 30.031 30.300 -0.532 0.000 0.879 558 R HN 0.353 nan 8.270 nan 0.000 0.439 559 E N -0.182 119.926 120.200 -0.155 0.000 2.465 559 E HA 0.108 4.490 4.350 0.055 0.000 0.191 559 E C 0.004 176.589 176.600 -0.025 0.000 1.053 559 E CA 0.424 56.797 56.400 -0.046 0.000 0.869 559 E CB 0.681 30.388 29.700 0.012 0.000 0.977 559 E HN 0.487 nan 8.360 nan 0.000 0.483 560 G N 2.047 110.819 108.800 -0.047 0.000 2.434 560 G HA2 -0.221 3.771 3.960 0.055 0.000 0.224 560 G HA3 -0.221 3.771 3.960 0.055 0.000 0.224 560 G C 0.298 175.189 174.900 -0.014 0.000 0.807 560 G CA 0.207 45.291 45.100 -0.027 0.000 1.113 560 G HN 0.514 nan 8.290 nan 0.000 0.327 561 C N -0.884 118.407 119.300 -0.015 0.000 3.059 561 C HA 0.860 5.352 4.460 0.055 0.000 0.292 561 C C 0.488 175.479 174.990 0.003 0.000 1.299 561 C CA -0.577 58.440 59.018 -0.002 0.000 1.171 561 C CB 0.687 28.431 27.740 0.007 0.000 1.397 561 C HN 2.659 nan 8.230 nan 0.000 0.416 562 A N 0.578 123.406 122.820 0.014 0.000 2.331 562 A HA 0.762 5.115 4.320 0.055 0.000 0.283 562 A C 1.270 178.875 177.584 0.036 0.000 1.142 562 A CA 0.523 52.573 52.037 0.022 0.000 0.812 562 A CB 0.666 19.681 19.000 0.024 0.000 1.074 562 A HN 2.547 nan 8.150 nan 0.000 0.497 563 A N 2.529 125.376 122.820 0.044 0.000 1.933 563 A HA -0.176 4.176 4.320 0.055 0.000 0.218 563 A C 2.022 179.663 177.584 0.095 0.000 1.175 563 A CA 1.691 53.772 52.037 0.072 0.000 0.628 563 A CB -0.480 18.565 19.000 0.074 0.000 0.814 563 A HN 0.952 nan 8.150 nan 0.000 0.444 564 R N -0.716 119.828 120.500 0.074 0.000 2.285 564 R HA -0.024 4.349 4.340 0.055 0.000 0.213 564 R C 0.434 176.780 176.300 0.078 0.000 1.068 564 R CA 1.392 57.538 56.100 0.077 0.000 1.004 564 R CB -0.409 29.923 30.300 0.055 0.000 0.873 564 R HN 0.329 nan 8.270 nan 0.000 0.467 565 D N 0.970 121.411 120.400 0.067 0.000 2.339 565 D HA 0.067 4.740 4.640 0.055 0.000 0.217 565 D C -0.185 176.154 176.300 0.064 0.000 1.050 565 D CA 0.272 54.307 54.000 0.058 0.000 0.856 565 D CB 0.635 41.460 40.800 0.041 0.000 0.922 565 D HN 0.005 nan 8.370 nan 0.000 0.518 566 V N 2.233 122.199 119.914 0.087 0.000 2.461 566 V HA 0.234 4.386 4.120 0.055 0.000 0.275 566 V C 0.417 176.567 176.094 0.093 0.000 1.047 566 V CA -0.361 61.976 62.300 0.063 0.000 0.955 566 V CB 1.282 33.145 31.823 0.068 0.000 0.988 566 V HN -0.101 nan 8.190 nan 0.000 0.471 567 I N 5.062 125.628 120.570 -0.007 0.000 2.404 567 I HA 0.472 4.675 4.170 0.055 0.000 0.293 567 I C -0.779 175.288 176.117 -0.084 0.000 0.992 567 I CA -0.074 61.258 61.300 0.054 0.000 1.149 567 I CB 1.379 39.413 38.000 0.056 0.000 1.315 567 I HN 0.375 nan 8.210 nan 0.000 0.446 568 F N 4.030 124.045 119.950 0.109 0.000 2.403 568 F HA 0.514 5.074 4.527 0.055 0.000 0.355 568 F C -0.205 175.636 175.800 0.068 0.000 1.119 568 F CA -0.580 57.493 58.000 0.122 0.000 1.007 568 F CB 1.280 40.360 39.000 0.133 0.000 1.194 568 F HN 0.410 nan 8.300 nan 0.000 0.443 569 D N 1.282 121.790 120.400 0.181 0.000 2.803 569 D HA 0.535 5.208 4.640 0.055 0.000 0.218 569 D C -0.423 175.918 176.300 0.068 0.000 1.245 569 D CA -0.197 53.865 54.000 0.103 0.000 0.821 569 D CB 1.723 42.569 40.800 0.077 0.000 1.626 569 D HN 0.702 nan 8.370 nan 0.000 0.487 570 A N 2.381 125.222 122.820 0.033 0.000 2.704 570 A HA 0.147 4.499 4.320 0.055 0.000 0.299 570 A C 1.566 179.170 177.584 0.033 0.000 1.507 570 A CA 1.985 54.033 52.037 0.018 0.000 0.776 570 A CB -2.244 16.766 19.000 0.017 0.000 1.027 570 A HN 1.993 nan 8.150 nan 0.000 0.475 571 G N -2.723 106.098 108.800 0.035 0.000 2.166 571 G HA2 -0.245 3.748 3.960 0.055 0.000 0.260 571 G HA3 -0.245 3.748 3.960 0.055 0.000 0.260 571 G C -0.046 174.945 174.900 0.153 0.000 0.986 571 G CA 1.080 46.219 45.100 0.066 0.000 0.683 571 G HN 1.398 nan 8.290 nan 0.000 0.527 572 Q N -0.710 119.172 119.800 0.136 0.000 2.348 572 Q HA 0.715 5.088 4.340 0.055 0.000 0.271 572 Q C -0.238 175.841 176.000 0.132 0.000 1.067 572 Q CA -0.736 55.152 55.803 0.142 0.000 0.839 572 Q CB 2.676 31.462 28.738 0.080 0.000 1.354 572 Q HN 0.260 nan 8.270 nan 0.000 0.447 573 V N 1.531 121.518 119.914 0.122 0.000 2.628 573 V HA 0.434 4.586 4.120 0.055 0.000 0.306 573 V C -0.542 175.616 176.094 0.107 0.000 1.045 573 V CA -0.701 61.563 62.300 -0.059 0.000 0.905 573 V CB 1.938 33.635 31.823 -0.210 0.000 0.997 573 V HN 0.645 nan 8.190 nan 0.000 0.436 574 Q N 2.518 122.325 119.800 0.012 0.000 2.304 574 Q HA 0.818 5.191 4.340 0.055 0.000 0.270 574 Q C -0.917 175.149 176.000 0.111 0.000 1.035 574 Q CA -0.581 55.278 55.803 0.093 0.000 0.781 574 Q CB 2.697 31.446 28.738 0.019 0.000 1.261 574 Q HN 0.927 nan 8.270 nan 0.000 0.444 575 A N 0.929 123.891 122.820 0.236 0.000 2.517 575 A HA 0.616 4.969 4.320 0.055 0.000 0.297 575 A C -0.106 177.571 177.584 0.155 0.000 1.050 575 A CA -0.554 51.592 52.037 0.181 0.000 0.694 575 A CB 1.518 20.623 19.000 0.175 0.000 1.277 575 A HN 0.662 nan 8.150 nan 0.000 0.400 576 S N 0.459 116.205 115.700 0.076 0.000 3.641 576 S HA -0.112 4.391 4.470 0.055 0.000 0.346 576 S C 1.622 176.224 174.600 0.003 0.000 1.074 576 S CA 1.974 60.200 58.200 0.044 0.000 1.026 576 S CB -1.474 61.765 63.200 0.065 0.000 0.908 576 S HN 2.866 nan 8.310 nan 0.000 0.479 577 G N -0.396 108.393 108.800 -0.019 0.000 2.220 577 G HA2 -0.356 3.637 3.960 0.055 0.000 0.269 577 G HA3 -0.356 3.637 3.960 0.055 0.000 0.269 577 G C -0.044 174.778 174.900 -0.130 0.000 0.977 577 G CA 1.057 46.122 45.100 -0.058 0.000 0.634 577 G HN 0.684 nan 8.290 nan 0.000 0.539 578 K N 0.631 120.917 120.400 -0.191 0.000 2.098 578 K HA 0.649 5.002 4.320 0.055 0.000 0.261 578 K C 0.168 176.383 176.600 -0.642 0.000 0.987 578 K CA 0.140 56.142 56.287 -0.474 0.000 0.916 578 K CB 1.554 33.688 32.500 -0.609 0.000 1.039 578 K HN 0.436 nan 8.250 nan 0.000 0.455 579 S N 0.472 115.682 115.700 -0.816 0.000 2.541 579 S HA 0.580 5.082 4.470 0.055 0.000 0.280 579 S C -1.161 173.056 174.600 -0.639 0.000 1.112 579 S CA -1.097 56.785 58.200 -0.530 0.000 0.925 579 S CB 1.119 64.192 63.200 -0.212 0.000 1.067 579 S HN 0.595 nan 8.310 nan 0.000 0.479 580 W N 0.524 121.807 121.300 -0.029 0.000 2.929 580 W HA 0.508 5.201 4.660 0.055 0.000 0.345 580 W C 0.107 176.639 176.519 0.021 0.000 1.151 580 W CA -1.114 56.228 57.345 -0.005 0.000 1.111 580 W CB 1.754 31.210 29.460 -0.006 0.000 1.449 580 W HN 0.531 nan 8.180 nan 0.000 0.572 581 R N 0.767 121.451 120.500 0.306 0.000 2.539 581 R HA 0.087 4.460 4.340 0.055 0.000 0.275 581 R C 1.153 177.618 176.300 0.274 0.000 1.077 581 R CA -0.459 55.788 56.100 0.245 0.000 1.097 581 R CB 0.617 31.027 30.300 0.184 0.000 1.018 581 R HN 0.414 nan 8.270 nan 0.000 0.483 582 F N 2.684 122.718 119.950 0.140 0.000 2.115 582 F HA -0.330 4.229 4.527 0.053 0.000 0.300 582 F C 1.998 177.874 175.800 0.126 0.000 1.092 582 F CA 2.179 60.270 58.000 0.151 0.000 1.245 582 F CB -0.255 38.842 39.000 0.161 0.000 0.995 582 F HN 0.694 nan 8.300 nan 0.000 0.481 583 A N 0.322 123.222 122.820 0.134 0.000 1.851 583 A HA -0.260 4.093 4.320 0.055 0.000 0.216 583 A C 2.109 179.677 177.584 -0.026 0.000 1.195 583 A CA 2.024 54.076 52.037 0.024 0.000 0.622 583 A CB -1.128 17.934 19.000 0.103 0.000 0.831 583 A HN 0.584 nan 8.150 nan 0.000 0.444 584 E N -0.345 119.887 120.200 0.052 0.000 2.114 584 E HA -0.217 4.165 4.350 0.055 0.000 0.199 584 E C 1.907 178.481 176.600 -0.043 0.000 1.008 584 E CA 1.324 57.759 56.400 0.058 0.000 0.810 584 E CB -0.391 29.422 29.700 0.188 0.000 0.739 584 E HN 0.564 nan 8.360 nan 0.000 0.456 585 I N 0.880 121.384 120.570 -0.111 0.000 2.179 585 I HA -0.199 4.004 4.170 0.055 0.000 0.242 585 I C 2.487 178.503 176.117 -0.167 0.000 1.088 585 I CA 0.995 62.191 61.300 -0.173 0.000 1.357 585 I CB -1.062 36.827 38.000 -0.185 0.000 1.051 585 I HN 0.011 nan 8.210 nan 0.000 0.409 586 V N 1.440 121.192 119.914 -0.271 0.000 2.343 586 V HA -0.234 3.919 4.120 0.055 0.000 0.247 586 V C 2.838 178.850 176.094 -0.137 0.000 1.051 586 V CA 1.756 63.895 62.300 -0.268 0.000 1.036 586 V CB -1.183 30.428 31.823 -0.354 0.000 0.654 586 V HN 0.451 nan 8.190 nan 0.000 0.451 587 A N -0.066 122.711 122.820 -0.073 0.000 1.972 587 A HA -0.091 4.262 4.320 0.055 0.000 0.219 587 A C 2.402 179.997 177.584 0.018 0.000 1.169 587 A CA 2.030 54.078 52.037 0.017 0.000 0.635 587 A CB -0.660 18.356 19.000 0.026 0.000 0.810 587 A HN 0.567 nan 8.150 nan 0.000 0.446 588 A N -0.160 122.635 122.820 -0.043 0.000 1.873 588 A HA 0.219 4.571 4.320 0.055 0.000 0.215 588 A C 2.469 179.845 177.584 -0.346 0.000 1.186 588 A CA 1.868 53.888 52.037 -0.027 0.000 0.616 588 A CB -0.964 18.123 19.000 0.145 0.000 0.823 588 A HN 1.053 nan 8.150 nan 0.000 0.442 589 A N -1.714 120.697 122.820 -0.682 0.000 2.067 589 A HA -0.020 4.333 4.320 0.055 0.000 0.219 589 A C 2.032 179.344 177.584 -0.454 0.000 1.158 589 A CA 1.511 52.926 52.037 -1.036 0.000 0.661 589 A CB -0.696 17.786 19.000 -0.864 0.000 0.801 589 A HN 0.731 nan 8.150 nan 0.000 0.452 590 Y N 0.525 120.636 120.300 -0.316 0.000 2.114 590 Y HA -0.222 4.361 4.550 0.056 0.000 0.284 590 Y C 2.291 178.099 175.900 -0.153 0.000 1.143 590 Y CA 2.142 60.128 58.100 -0.190 0.000 1.135 590 Y CB -0.332 38.055 38.460 -0.122 0.000 0.980 590 Y HN 0.235 nan 8.280 nan 0.000 0.499 591 M N 0.003 119.402 119.600 -0.336 0.000 2.159 591 M HA -0.143 4.370 4.480 0.055 0.000 0.263 591 M C 2.230 178.360 176.300 -0.284 0.000 1.063 591 M CA 1.679 56.777 55.300 -0.337 0.000 1.110 591 M CB -1.361 31.178 32.600 -0.102 0.000 1.374 591 M HN 0.487 nan 8.290 nan 0.000 0.411 592 A N -0.086 122.579 122.820 -0.259 0.000 2.235 592 A HA 0.029 4.382 4.320 0.055 0.000 0.208 592 A C 0.755 178.217 177.584 -0.203 0.000 1.172 592 A CA 0.085 52.016 52.037 -0.176 0.000 0.786 592 A CB -0.382 18.548 19.000 -0.117 0.000 0.804 592 A HN 0.581 nan 8.150 nan 0.000 0.479 593 R N -1.479 118.851 120.500 -0.283 0.000 3.184 593 R HA -0.115 4.258 4.340 0.055 0.000 0.257 593 R C -1.144 175.059 176.300 -0.162 0.000 0.999 593 R CA 0.649 56.614 56.100 -0.226 0.000 0.670 593 R CB -2.168 28.030 30.300 -0.171 0.000 1.197 593 R HN 0.528 nan 8.270 nan 0.000 0.419 594 I N 0.781 121.236 120.570 -0.191 0.000 2.389 594 I HA 0.103 4.305 4.170 0.055 0.000 0.288 594 I C 0.834 176.888 176.117 -0.105 0.000 0.999 594 I CA -0.536 60.671 61.300 -0.156 0.000 1.129 594 I CB 1.911 39.758 38.000 -0.255 0.000 1.288 594 I HN 0.172 nan 8.210 nan 0.000 0.444 595 S N 7.006 122.667 115.700 -0.066 0.000 2.546 595 S HA 0.157 4.660 4.470 0.055 0.000 0.290 595 S C 0.440 175.009 174.600 -0.052 0.000 1.262 595 S CA -0.081 58.093 58.200 -0.044 0.000 1.083 595 S CB 0.137 63.317 63.200 -0.033 0.000 0.859 595 S HN 0.544 nan 8.310 nan 0.000 0.495 596 L N 4.510 125.704 121.223 -0.049 0.000 2.912 596 L HA 0.321 4.694 4.340 0.055 0.000 0.240 596 L C 0.632 177.445 176.870 -0.095 0.000 1.262 596 L CA -0.304 54.492 54.840 -0.073 0.000 1.058 596 L CB 0.083 42.093 42.059 -0.082 0.000 1.383 596 L HN 0.588 nan 8.230 nan 0.000 0.512 597 S N 0.578 116.236 115.700 -0.070 0.000 2.526 597 S HA 0.880 5.383 4.470 0.055 0.000 0.293 597 S C -0.820 173.756 174.600 -0.041 0.000 1.092 597 S CA -0.329 57.829 58.200 -0.069 0.000 0.980 597 S CB 1.965 65.129 63.200 -0.060 0.000 1.048 597 S HN 0.206 nan 8.310 nan 0.000 0.483 598 A N 2.595 125.396 122.820 -0.031 0.000 2.517 598 A HA 0.714 5.067 4.320 0.055 0.000 0.297 598 A C -0.099 177.489 177.584 0.007 0.000 1.050 598 A CA -0.632 51.399 52.037 -0.010 0.000 0.694 598 A CB 1.181 20.176 19.000 -0.008 0.000 1.277 598 A HN 1.045 nan 8.150 nan 0.000 0.400 599 T N -0.276 114.290 114.554 0.021 0.000 2.899 599 T HA 0.754 5.137 4.350 0.055 0.000 0.284 599 T C 0.368 175.111 174.700 0.072 0.000 1.004 599 T CA 0.009 62.137 62.100 0.047 0.000 1.043 599 T CB 1.664 70.561 68.868 0.048 0.000 1.013 599 T HN 1.740 nan 8.240 nan 0.000 0.518 600 G N 0.259 109.124 108.800 0.109 0.000 2.620 600 G HA2 0.638 4.631 3.960 0.055 0.000 0.301 600 G HA3 0.638 4.631 3.960 0.055 0.000 0.301 600 G C -2.077 172.969 174.900 0.243 0.000 1.347 600 G CA -0.871 44.313 45.100 0.141 0.000 0.971 600 G HN 0.772 nan 8.290 nan 0.000 0.488 601 F N 1.212 121.206 119.950 0.073 0.000 2.619 601 F HA 0.750 5.309 4.527 0.053 0.000 0.308 601 F C -2.071 173.826 175.800 0.162 0.000 1.097 601 F CA -1.238 56.819 58.000 0.095 0.000 0.953 601 F CB 2.307 41.342 39.000 0.057 0.000 1.287 601 F HN 0.584 nan 8.300 nan 0.000 0.446 602 Y N 3.756 123.517 120.300 -0.899 0.000 2.479 602 Y HA 0.771 5.353 4.550 0.054 0.000 0.338 602 Y C -1.741 173.695 175.900 -0.774 0.000 1.055 602 Y CA -0.828 56.904 58.100 -0.613 0.000 1.023 602 Y CB 1.825 40.111 38.460 -0.290 0.000 1.287 602 Y HN 0.891 nan 8.280 nan 0.000 0.447 603 A N 3.708 125.832 122.820 -1.160 0.000 2.330 603 A HA 0.609 4.962 4.320 0.055 0.000 0.313 603 A C -0.725 176.210 177.584 -1.081 0.000 1.124 603 A CA -0.725 50.825 52.037 -0.811 0.000 0.774 603 A CB 0.573 19.394 19.000 -0.298 0.000 1.198 603 A HN 0.715 nan 8.150 nan 0.000 0.465 604 T N 4.948 119.114 114.554 -0.647 0.000 2.853 604 T HA 0.402 4.785 4.350 0.055 0.000 0.298 604 T C -1.935 172.668 174.700 -0.162 0.000 0.978 604 T CA -0.361 61.562 62.100 -0.294 0.000 1.152 604 T CB 0.206 69.087 68.868 0.021 0.000 0.914 604 T HN 0.619 nan 8.240 nan 0.000 0.539 605 P HA 0.329 nan 4.420 nan 0.000 0.278 605 P C -0.050 177.253 177.300 0.006 0.000 1.266 605 P CA -0.625 62.456 63.100 -0.031 0.000 0.807 605 P CB 0.710 32.414 31.700 0.006 0.000 1.094 606 K N -2.017 118.389 120.400 0.010 0.000 3.547 606 K HA -0.142 4.211 4.320 0.055 0.000 0.309 606 K C -0.070 176.540 176.600 0.017 0.000 1.324 606 K CA 0.680 56.979 56.287 0.020 0.000 0.988 606 K CB -1.973 30.545 32.500 0.031 0.000 1.261 606 K HN 0.394 nan 8.250 nan 0.000 0.444 607 L N 1.166 122.397 121.223 0.012 0.000 2.276 607 L HA 0.461 4.834 4.340 0.055 0.000 0.286 607 L C 0.172 177.070 176.870 0.047 0.000 1.061 607 L CA -0.458 54.388 54.840 0.011 0.000 0.807 607 L CB 1.732 43.791 42.059 -0.002 0.000 1.177 607 L HN 0.038 nan 8.230 nan 0.000 0.429 608 S N 3.907 119.652 115.700 0.075 0.000 2.584 608 S HA 0.660 5.163 4.470 0.055 0.000 0.280 608 S C -1.947 172.779 174.600 0.210 0.000 1.162 608 S CA -0.664 57.606 58.200 0.116 0.000 0.951 608 S CB 1.087 64.325 63.200 0.064 0.000 1.108 608 S HN 0.673 nan 8.310 nan 0.000 0.464 609 W N 3.842 125.090 121.300 -0.087 0.000 3.153 609 W HA 0.508 5.200 4.660 0.054 0.000 0.316 609 W C -2.456 174.001 176.519 -0.103 0.000 1.255 609 W CA -0.654 56.620 57.345 -0.118 0.000 1.192 609 W CB 0.490 29.835 29.460 -0.191 0.000 1.400 609 W HN 0.579 nan 8.180 nan 0.000 0.568 610 D N 3.482 123.600 120.400 -0.470 0.000 2.373 610 D HA 0.221 4.893 4.640 0.055 0.000 0.227 610 D C 1.306 176.919 176.300 -1.145 0.000 1.091 610 D CA -0.206 53.389 54.000 -0.675 0.000 0.840 610 D CB 1.535 42.138 40.800 -0.329 0.000 1.060 610 D HN 0.523 nan 8.370 nan 0.000 0.502 611 R N 3.797 123.460 120.500 -1.395 0.000 2.080 611 R HA -0.111 4.261 4.340 0.055 0.000 0.236 611 R C 1.738 177.845 176.300 -0.322 0.000 1.137 611 R CA 0.958 56.338 56.100 -1.200 0.000 0.943 611 R CB -0.079 29.878 30.300 -0.572 0.000 0.846 611 R HN 0.512 nan 8.270 nan 0.000 0.431 612 L N 0.266 121.369 121.223 -0.200 0.000 2.027 612 L HA -0.140 4.233 4.340 0.055 0.000 0.206 612 L C 2.591 179.493 176.870 0.052 0.000 1.074 612 L CA 1.468 56.319 54.840 0.018 0.000 0.745 612 L CB -0.259 41.783 42.059 -0.029 0.000 0.898 612 L HN 0.240 nan 8.230 nan 0.000 0.433 613 R N -0.201 120.227 120.500 -0.120 0.000 2.307 613 R HA 0.047 4.419 4.340 0.055 0.000 0.199 613 R C 1.211 177.325 176.300 -0.309 0.000 1.000 613 R CA 0.625 56.652 56.100 -0.122 0.000 1.023 613 R CB -0.112 30.123 30.300 -0.108 0.000 0.908 613 R HN 0.509 nan 8.270 nan 0.000 0.473 614 G N 1.376 109.784 108.800 -0.653 0.000 2.198 614 G HA2 -0.262 3.731 3.960 0.055 0.000 0.260 614 G HA3 -0.262 3.731 3.960 0.055 0.000 0.260 614 G C -0.144 174.424 174.900 -0.554 0.000 1.025 614 G CA 0.191 44.472 45.100 -1.365 0.000 0.769 614 G HN 0.245 nan 8.290 nan 0.000 0.507 615 Q N -0.725 118.930 119.800 -0.241 0.000 2.365 615 Q HA 0.715 5.087 4.340 0.055 0.000 0.269 615 Q C 0.440 176.500 176.000 0.100 0.000 1.061 615 Q CA 0.294 56.074 55.803 -0.039 0.000 0.816 615 Q CB 2.228 30.936 28.738 -0.050 0.000 1.325 615 Q HN 1.405 nan 8.270 nan 0.000 0.446 616 G N 1.191 110.086 108.800 0.158 0.000 2.320 616 G HA2 -0.013 3.980 3.960 0.055 0.000 0.274 616 G HA3 -0.013 3.980 3.960 0.055 0.000 0.274 616 G C -1.526 173.468 174.900 0.156 0.000 1.324 616 G CA -0.934 44.273 45.100 0.178 0.000 0.957 616 G HN 0.341 nan 8.290 nan 0.000 0.481 617 R N 1.559 122.119 120.500 0.101 0.000 2.335 617 R HA 0.415 4.788 4.340 0.055 0.000 0.302 617 R C -1.865 174.338 176.300 -0.161 0.000 1.147 617 R CA -1.732 54.371 56.100 0.004 0.000 1.111 617 R CB 1.640 31.954 30.300 0.023 0.000 1.122 617 R HN 0.326 nan 8.270 nan 0.000 0.557 618 P HA 0.031 nan 4.420 nan 0.000 0.239 618 P C -0.232 176.596 177.300 -0.786 0.000 1.188 618 P CA 0.464 62.984 63.100 -0.967 0.000 0.794 618 P CB 0.392 30.826 31.700 -2.111 0.000 0.937 619 F N -0.640 119.079 119.950 -0.385 0.000 2.492 619 F HA 0.264 4.823 4.527 0.054 0.000 0.327 619 F C 1.659 177.249 175.800 -0.351 0.000 1.079 619 F CA -1.256 56.462 58.000 -0.470 0.000 0.967 619 F CB 1.690 40.231 39.000 -0.765 0.000 1.169 619 F HN -0.312 nan 8.300 nan 0.000 0.472 620 L N 2.908 124.070 121.223 -0.102 0.000 2.127 620 L HA 0.089 4.462 4.340 0.055 0.000 0.203 620 L C -0.435 176.467 176.870 0.053 0.000 1.080 620 L CA 1.404 56.252 54.840 0.013 0.000 0.768 620 L CB -0.296 41.859 42.059 0.161 0.000 0.924 620 L HN 0.652 nan 8.230 nan 0.000 0.444 621 Y N -4.981 115.149 120.300 -0.284 0.000 2.788 621 Y HA 0.563 5.145 4.550 0.054 0.000 0.335 621 Y C -1.374 174.139 175.900 -0.646 0.000 1.287 621 Y CA -2.380 55.532 58.100 -0.312 0.000 1.068 621 Y CB 0.190 38.594 38.460 -0.094 0.000 1.340 621 Y HN -0.203 nan 8.280 nan 0.000 0.449 622 F N 1.042 120.942 119.950 -0.084 0.000 2.538 622 F HA 0.870 5.430 4.527 0.055 0.000 0.325 622 F C 0.029 175.623 175.800 -0.343 0.000 1.066 622 F CA -0.896 56.846 58.000 -0.430 0.000 0.946 622 F CB 2.327 40.927 39.000 -0.666 0.000 1.199 622 F HN 0.783 nan 8.300 nan 0.000 0.473 623 A N 2.310 124.989 122.820 -0.235 0.000 2.303 623 A HA 0.768 5.121 4.320 0.055 0.000 0.320 623 A C -1.761 175.636 177.584 -0.313 0.000 1.192 623 A CA -0.435 51.536 52.037 -0.110 0.000 0.821 623 A CB 0.301 19.331 19.000 0.050 0.000 1.188 623 A HN 0.727 nan 8.150 nan 0.000 0.492 624 Y N 0.747 120.958 120.300 -0.147 0.000 2.621 624 Y HA 0.773 5.356 4.550 0.055 0.000 0.334 624 Y C 0.923 176.561 175.900 -0.437 0.000 1.074 624 Y CA 0.139 58.099 58.100 -0.233 0.000 1.149 624 Y CB 2.701 40.983 38.460 -0.297 0.000 1.302 624 Y HN 1.054 nan 8.280 nan 0.000 0.501 625 G N -0.439 108.332 108.800 -0.048 0.000 2.349 625 G HA2 0.640 4.633 3.960 0.055 0.000 0.294 625 G HA3 0.640 4.633 3.960 0.055 0.000 0.294 625 G C -2.246 172.685 174.900 0.051 0.000 1.380 625 G CA -0.231 44.884 45.100 0.025 0.000 0.811 625 G HN 0.903 nan 8.290 nan 0.000 0.519 626 A N -1.363 121.508 122.820 0.085 0.000 2.574 626 A HA 1.062 5.414 4.320 0.055 0.000 0.297 626 A C -0.411 177.218 177.584 0.074 0.000 1.062 626 A CA 0.320 52.391 52.037 0.057 0.000 0.686 626 A CB 1.368 20.363 19.000 -0.008 0.000 1.285 626 A HN 2.514 nan 8.150 nan 0.000 0.403 627 A N 0.666 123.527 122.820 0.068 0.000 2.469 627 A HA 0.873 5.226 4.320 0.055 0.000 0.299 627 A C -1.128 176.455 177.584 -0.001 0.000 1.098 627 A CA -0.446 51.624 52.037 0.055 0.000 0.737 627 A CB 1.044 20.133 19.000 0.149 0.000 1.312 627 A HN 0.919 nan 8.150 nan 0.000 0.414 628 I N 1.786 122.335 120.570 -0.035 0.000 2.521 628 I HA 0.249 4.452 4.170 0.055 0.000 0.277 628 I C -0.428 175.685 176.117 -0.006 0.000 1.054 628 I CA -0.050 61.210 61.300 -0.067 0.000 1.117 628 I CB 1.972 39.864 38.000 -0.179 0.000 1.217 628 I HN 0.585 nan 8.210 nan 0.000 0.469 629 T N 4.676 119.255 114.554 0.042 0.000 2.845 629 T HA 0.288 4.671 4.350 0.055 0.000 0.288 629 T C -0.263 174.452 174.700 0.025 0.000 0.980 629 T CA -0.421 61.701 62.100 0.037 0.000 1.071 629 T CB 1.661 70.586 68.868 0.094 0.000 0.941 629 T HN 0.480 nan 8.240 nan 0.000 0.487 630 E N 2.147 122.338 120.200 -0.015 0.000 2.199 630 E HA 0.595 4.977 4.350 0.055 0.000 0.269 630 E C -0.908 175.648 176.600 -0.075 0.000 0.899 630 E CA -0.797 55.581 56.400 -0.037 0.000 0.772 630 E CB 1.343 31.014 29.700 -0.049 0.000 1.155 630 E HN 0.520 nan 8.360 nan 0.000 0.408 631 V N 0.564 120.425 119.914 -0.088 0.000 3.167 631 V HA 0.815 4.968 4.120 0.055 0.000 0.310 631 V C -0.690 175.326 176.094 -0.130 0.000 1.207 631 V CA -0.809 61.431 62.300 -0.101 0.000 1.059 631 V CB 1.583 33.356 31.823 -0.083 0.000 1.079 631 V HN 0.454 nan 8.190 nan 0.000 0.446 632 V N 0.133 119.978 119.914 -0.114 0.000 2.841 632 V HA 0.806 4.959 4.120 0.055 0.000 0.310 632 V C -0.447 175.616 176.094 -0.051 0.000 1.090 632 V CA -0.590 61.653 62.300 -0.096 0.000 0.930 632 V CB 1.365 33.122 31.823 -0.111 0.000 1.014 632 V HN 1.345 nan 8.190 nan 0.000 0.425 633 I N -0.661 119.898 120.570 -0.019 0.000 2.569 633 I HA 0.700 4.903 4.170 0.055 0.000 0.296 633 I C -0.967 175.158 176.117 0.014 0.000 1.028 633 I CA -0.423 60.865 61.300 -0.020 0.000 1.082 633 I CB 2.232 40.204 38.000 -0.048 0.000 1.264 633 I HN 0.672 nan 8.210 nan 0.000 0.429 634 D N 5.180 125.580 120.400 0.000 0.000 2.347 634 D HA 0.221 4.894 4.640 0.055 0.000 0.235 634 D C 0.701 176.995 176.300 -0.009 0.000 1.149 634 D CA -0.220 53.784 54.000 0.006 0.000 0.850 634 D CB 1.322 42.122 40.800 -0.001 0.000 1.061 634 D HN 0.610 nan 8.370 nan 0.000 0.487 635 R N 2.918 123.414 120.500 -0.006 0.000 2.237 635 R HA -0.000 4.372 4.340 0.055 0.000 0.219 635 R C 1.633 177.920 176.300 -0.023 0.000 1.080 635 R CA 0.420 56.508 56.100 -0.019 0.000 0.995 635 R CB 0.289 30.578 30.300 -0.018 0.000 0.875 635 R HN 0.529 nan 8.270 nan 0.000 0.462 636 L N -0.570 120.642 121.223 -0.018 0.000 2.127 636 L HA -0.072 4.301 4.340 0.055 0.000 0.203 636 L C 2.277 179.135 176.870 -0.021 0.000 1.080 636 L CA 1.494 56.322 54.840 -0.019 0.000 0.768 636 L CB -0.039 42.010 42.059 -0.015 0.000 0.924 636 L HN 0.254 nan 8.230 nan 0.000 0.444 637 T N -5.746 108.796 114.554 -0.020 0.000 2.999 637 T HA 0.293 4.676 4.350 0.055 0.000 0.247 637 T C 1.397 176.081 174.700 -0.027 0.000 1.012 637 T CA 0.565 62.652 62.100 -0.021 0.000 1.048 637 T CB 1.030 69.888 68.868 -0.018 0.000 1.020 637 T HN 0.336 nan 8.240 nan 0.000 0.478 638 G N 1.312 110.093 108.800 -0.031 0.000 2.195 638 G HA2 -0.200 3.792 3.960 0.055 0.000 0.224 638 G HA3 -0.200 3.792 3.960 0.055 0.000 0.224 638 G C -0.160 174.714 174.900 -0.043 0.000 0.990 638 G CA -0.073 45.002 45.100 -0.042 0.000 0.639 638 G HN 0.644 nan 8.290 nan 0.000 0.514 639 E N 0.728 120.909 120.200 -0.033 0.000 2.436 639 E HA 0.399 4.782 4.350 0.055 0.000 0.262 639 E C 0.536 177.115 176.600 -0.035 0.000 1.063 639 E CA 1.061 57.441 56.400 -0.032 0.000 0.944 639 E CB 0.222 29.909 29.700 -0.022 0.000 0.950 639 E HN 0.827 nan 8.360 nan 0.000 0.444 640 N N 0.642 119.317 118.700 -0.041 0.000 3.043 640 N HA 0.372 5.144 4.740 0.055 0.000 0.243 640 N C -1.594 173.885 175.510 -0.053 0.000 1.347 640 N CA -0.992 52.028 53.050 -0.049 0.000 0.896 640 N CB 1.455 39.903 38.487 -0.064 0.000 1.501 640 N HN 0.283 nan 8.380 nan 0.000 0.504 641 R N 0.859 121.323 120.500 -0.059 0.000 2.651 641 R HA 0.511 4.883 4.340 0.055 0.000 0.278 641 R C -1.335 174.919 176.300 -0.076 0.000 1.010 641 R CA -0.791 55.271 56.100 -0.062 0.000 0.896 641 R CB 1.483 31.751 30.300 -0.054 0.000 1.211 641 R HN 0.692 nan 8.270 nan 0.000 0.456 642 I N 5.083 125.607 120.570 -0.078 0.000 2.441 642 I HA 0.064 4.267 4.170 0.055 0.000 0.287 642 I C 1.039 177.096 176.117 -0.099 0.000 1.049 642 I CA -0.027 61.222 61.300 -0.086 0.000 1.381 642 I CB 1.144 39.096 38.000 -0.080 0.000 1.409 642 I HN 0.587 nan 8.210 nan 0.000 0.523 643 L N 5.026 126.184 121.223 -0.108 0.000 2.388 643 L HA 0.324 4.697 4.340 0.055 0.000 0.209 643 L C 0.889 177.692 176.870 -0.111 0.000 1.061 643 L CA 0.227 55.002 54.840 -0.109 0.000 0.834 643 L CB 0.063 42.044 42.059 -0.129 0.000 1.029 643 L HN 0.553 nan 8.230 nan 0.000 0.473 644 R N -0.701 119.729 120.500 -0.117 0.000 2.668 644 R HA 0.520 4.893 4.340 0.055 0.000 0.272 644 R C -1.618 174.591 176.300 -0.152 0.000 1.019 644 R CA -0.300 55.728 56.100 -0.121 0.000 0.894 644 R CB 2.217 32.472 30.300 -0.075 0.000 1.228 644 R HN -0.207 nan 8.270 nan 0.000 0.460 645 T N 2.060 116.483 114.554 -0.219 0.000 2.912 645 T HA 0.372 4.755 4.350 0.055 0.000 0.299 645 T C -1.716 172.895 174.700 -0.148 0.000 1.052 645 T CA -0.671 61.264 62.100 -0.274 0.000 0.996 645 T CB 1.694 70.142 68.868 -0.700 0.000 1.070 645 T HN 0.550 nan 8.240 nan 0.000 0.465 646 D N 1.787 122.128 120.400 -0.098 0.000 2.473 646 D HA 0.480 5.153 4.640 0.055 0.000 0.253 646 D C -0.696 175.594 176.300 -0.017 0.000 1.233 646 D CA -0.277 53.706 54.000 -0.029 0.000 0.908 646 D CB 1.095 41.887 40.800 -0.012 0.000 1.170 646 D HN 0.366 nan 8.370 nan 0.000 0.558 647 I N 2.248 122.828 120.570 0.018 0.000 2.377 647 I HA 0.405 4.608 4.170 0.055 0.000 0.293 647 I C -0.974 175.195 176.117 0.087 0.000 0.987 647 I CA -1.044 60.287 61.300 0.052 0.000 1.185 647 I CB 1.423 39.459 38.000 0.060 0.000 1.341 647 I HN 0.131 nan 8.210 nan 0.000 0.455 648 L N 7.033 128.323 121.223 0.111 0.000 2.349 648 L HA 0.529 4.901 4.340 0.055 0.000 0.278 648 L C -1.113 175.883 176.870 0.210 0.000 0.996 648 L CA -0.136 54.799 54.840 0.157 0.000 0.825 648 L CB 1.087 43.235 42.059 0.148 0.000 1.243 648 L HN 0.533 nan 8.230 nan 0.000 0.412 649 H N 1.478 120.629 119.070 0.135 0.000 2.806 649 H HA 0.447 5.036 4.556 0.055 0.000 0.367 649 H C -1.496 173.956 175.328 0.207 0.000 1.136 649 H CA -0.709 55.417 56.048 0.130 0.000 1.178 649 H CB 1.704 31.525 29.762 0.097 0.000 1.718 649 H HN 0.670 nan 8.280 nan 0.000 0.540 650 D N 2.935 123.194 120.400 -0.235 0.000 2.396 650 D HA 0.331 5.004 4.640 0.055 0.000 0.225 650 D C -0.156 176.193 176.300 0.081 0.000 1.121 650 D CA -0.232 53.812 54.000 0.073 0.000 0.853 650 D CB 0.849 41.673 40.800 0.041 0.000 1.043 650 D HN 0.600 nan 8.370 nan 0.000 0.500 651 A N 3.554 126.483 122.820 0.181 0.000 2.415 651 A HA 0.612 4.965 4.320 0.055 0.000 0.248 651 A C 1.371 179.023 177.584 0.113 0.000 1.299 651 A CA 0.231 52.365 52.037 0.162 0.000 0.899 651 A CB -0.838 18.252 19.000 0.149 0.000 0.997 651 A HN 0.994 nan 8.150 nan 0.000 0.506 652 G N -0.284 108.588 108.800 0.121 0.000 2.575 652 G HA2 0.106 4.099 3.960 0.055 0.000 0.267 652 G HA3 0.106 4.099 3.960 0.055 0.000 0.267 652 G C 0.548 175.474 174.900 0.044 0.000 1.264 652 G CA -0.042 45.100 45.100 0.070 0.000 0.935 652 G HN 1.785 nan 8.290 nan 0.000 0.568 653 A N 0.042 122.870 122.820 0.013 0.000 2.639 653 A HA 0.570 4.923 4.320 0.055 0.000 0.295 653 A C 1.171 178.763 177.584 0.013 0.000 1.443 653 A CA 1.570 53.609 52.037 0.004 0.000 1.117 653 A CB -0.697 18.308 19.000 0.008 0.000 1.098 653 A HN 2.377 nan 8.150 nan 0.000 0.552 654 S N 2.346 118.056 115.700 0.017 0.000 2.593 654 S HA 0.040 4.542 4.470 0.055 0.000 0.300 654 S C 1.191 175.788 174.600 -0.005 0.000 1.267 654 S CA -0.131 58.080 58.200 0.019 0.000 1.065 654 S CB -0.124 63.090 63.200 0.022 0.000 0.807 654 S HN 0.555 nan 8.310 nan 0.000 0.499 655 L N 3.548 124.768 121.223 -0.005 0.000 2.217 655 L HA 0.161 4.534 4.340 0.055 0.000 0.211 655 L C 1.296 178.138 176.870 -0.047 0.000 1.107 655 L CA 0.489 55.308 54.840 -0.035 0.000 0.783 655 L CB -0.230 41.816 42.059 -0.022 0.000 0.919 655 L HN 0.650 nan 8.230 nan 0.000 0.442 656 N N -1.059 117.627 118.700 -0.024 0.000 2.629 656 N HA 0.156 4.929 4.740 0.055 0.000 0.277 656 N C -2.346 173.160 175.510 -0.006 0.000 1.188 656 N CA -1.011 52.025 53.050 -0.023 0.000 0.835 656 N CB 1.934 40.408 38.487 -0.022 0.000 1.420 656 N HN -0.278 nan 8.380 nan 0.000 0.542 657 P HA -0.008 nan 4.420 nan 0.000 0.217 657 P C 1.062 178.362 177.300 -0.001 0.000 1.150 657 P CA 1.005 64.105 63.100 -0.001 0.000 0.832 657 P CB 0.460 32.155 31.700 -0.010 0.000 0.787 658 A N -0.007 122.811 122.820 -0.003 0.000 1.845 658 A HA -0.163 4.189 4.320 0.055 0.000 0.215 658 A C 2.236 179.826 177.584 0.009 0.000 1.195 658 A CA 1.487 53.523 52.037 -0.001 0.000 0.616 658 A CB -1.705 17.297 19.000 0.003 0.000 0.832 658 A HN 0.069 nan 8.150 nan 0.000 0.443 659 L N -0.396 120.838 121.223 0.019 0.000 2.081 659 L HA -0.262 4.111 4.340 0.055 0.000 0.212 659 L C 2.155 179.042 176.870 0.029 0.000 1.080 659 L CA 1.722 56.583 54.840 0.035 0.000 0.754 659 L CB -0.877 41.202 42.059 0.034 0.000 0.893 659 L HN 0.360 nan 8.230 nan 0.000 0.433 660 D N 0.028 120.441 120.400 0.022 0.000 2.097 660 D HA -0.143 4.529 4.640 0.055 0.000 0.197 660 D C 2.281 178.588 176.300 0.012 0.000 0.984 660 D CA 0.963 54.980 54.000 0.028 0.000 0.826 660 D CB -0.059 40.769 40.800 0.046 0.000 0.973 660 D HN 0.139 nan 8.370 nan 0.000 0.460 661 I N 1.157 121.725 120.570 -0.004 0.000 2.208 661 I HA -0.181 4.022 4.170 0.055 0.000 0.245 661 I C 2.497 178.575 176.117 -0.065 0.000 1.097 661 I CA 1.334 62.609 61.300 -0.043 0.000 1.363 661 I CB -1.530 36.435 38.000 -0.058 0.000 1.051 661 I HN 0.011 nan 8.210 nan 0.000 0.413 662 G N 0.303 109.083 108.800 -0.032 0.000 2.476 662 G HA2 -0.264 3.729 3.960 0.055 0.000 0.218 662 G HA3 -0.264 3.729 3.960 0.055 0.000 0.218 662 G C 1.557 176.461 174.900 0.007 0.000 1.164 662 G CA 0.385 45.475 45.100 -0.017 0.000 0.768 662 G HN 0.339 nan 8.290 nan 0.000 0.560 663 Q N 0.161 119.975 119.800 0.024 0.000 2.050 663 Q HA -0.038 4.335 4.340 0.055 0.000 0.202 663 Q C 2.800 178.817 176.000 0.028 0.000 0.980 663 Q CA 0.991 56.820 55.803 0.045 0.000 0.840 663 Q CB -0.355 28.405 28.738 0.036 0.000 0.898 663 Q HN 0.594 nan 8.270 nan 0.000 0.424 664 I N 1.019 121.576 120.570 -0.022 0.000 2.127 664 I HA -0.300 3.903 4.170 0.055 0.000 0.241 664 I C 2.229 178.358 176.117 0.019 0.000 1.075 664 I CA 1.393 62.662 61.300 -0.051 0.000 1.334 664 I CB -0.312 37.631 38.000 -0.094 0.000 1.040 664 I HN 0.237 nan 8.210 nan 0.000 0.405 665 E N 0.676 120.831 120.200 -0.075 0.000 2.085 665 E HA -0.188 4.195 4.350 0.055 0.000 0.194 665 E C 2.344 179.014 176.600 0.116 0.000 0.994 665 E CA 1.315 57.625 56.400 -0.151 0.000 0.801 665 E CB -0.445 28.993 29.700 -0.437 0.000 0.743 665 E HN 0.637 nan 8.360 nan 0.000 0.453 666 G N 1.161 110.015 108.800 0.091 0.000 2.402 666 G HA2 -0.214 3.778 3.960 0.055 0.000 0.216 666 G HA3 -0.214 3.778 3.960 0.055 0.000 0.216 666 G C 1.707 176.722 174.900 0.192 0.000 1.162 666 G CA 0.829 46.020 45.100 0.151 0.000 0.777 666 G HN 0.343 nan 8.290 nan 0.000 0.539 667 A N 0.018 122.949 122.820 0.184 0.000 1.898 667 A HA -0.006 4.347 4.320 0.055 0.000 0.216 667 A C 2.188 179.846 177.584 0.124 0.000 1.181 667 A CA 1.651 53.811 52.037 0.206 0.000 0.620 667 A CB -0.730 18.359 19.000 0.147 0.000 0.819 667 A HN 0.482 nan 8.150 nan 0.000 0.442 668 Y N 0.650 120.970 120.300 0.033 0.000 2.128 668 Y HA -0.208 4.374 4.550 0.054 0.000 0.284 668 Y C 2.283 178.160 175.900 -0.039 0.000 1.154 668 Y CA 2.186 60.283 58.100 -0.005 0.000 1.149 668 Y CB -0.318 38.223 38.460 0.135 0.000 0.976 668 Y HN 0.059 nan 8.280 nan 0.000 0.505 669 V N 0.681 120.729 119.914 0.223 0.000 2.490 669 V HA -0.316 3.837 4.120 0.055 0.000 0.250 669 V C 2.330 178.378 176.094 -0.076 0.000 1.061 669 V CA 2.281 64.635 62.300 0.089 0.000 1.064 669 V CB -0.667 31.274 31.823 0.196 0.000 0.670 669 V HN 0.500 nan 8.190 nan 0.000 0.461 670 Q N -0.315 119.463 119.800 -0.037 0.000 2.137 670 Q HA -0.071 4.301 4.340 0.055 0.000 0.198 670 Q C 2.272 178.144 176.000 -0.212 0.000 0.960 670 Q CA 1.420 57.225 55.803 0.003 0.000 0.847 670 Q CB -0.263 28.596 28.738 0.201 0.000 0.915 670 Q HN 0.676 nan 8.270 nan 0.000 0.448 671 G N 0.414 108.784 108.800 -0.717 0.000 2.434 671 G HA2 -0.262 3.731 3.960 0.055 0.000 0.214 671 G HA3 -0.262 3.731 3.960 0.055 0.000 0.214 671 G C 1.444 176.018 174.900 -0.543 0.000 1.202 671 G CA 0.872 45.236 45.100 -1.227 0.000 0.788 671 G HN 0.460 nan 8.290 nan 0.000 0.539 672 A N 0.955 123.420 122.820 -0.592 0.000 1.917 672 A HA 0.039 4.392 4.320 0.055 0.000 0.219 672 A C 2.729 180.166 177.584 -0.246 0.000 1.182 672 A CA 2.391 54.157 52.037 -0.452 0.000 0.633 672 A CB -1.260 17.372 19.000 -0.613 0.000 0.819 672 A HN 0.641 nan 8.150 nan 0.000 0.448 673 G N -1.731 106.953 108.800 -0.194 0.000 2.440 673 G HA2 -0.312 3.681 3.960 0.055 0.000 0.218 673 G HA3 -0.312 3.681 3.960 0.055 0.000 0.218 673 G C 1.347 176.222 174.900 -0.040 0.000 1.154 673 G CA 1.180 46.214 45.100 -0.109 0.000 0.767 673 G HN 0.745 nan 8.290 nan 0.000 0.552 674 W N 1.155 122.326 121.300 -0.215 0.000 2.350 674 W HA 0.071 4.765 4.660 0.056 0.000 0.289 674 W C 1.565 177.996 176.519 -0.147 0.000 1.215 674 W CA 0.830 58.075 57.345 -0.167 0.000 1.236 674 W CB -0.150 29.216 29.460 -0.156 0.000 1.130 674 W HN 0.116 nan 8.180 nan 0.000 0.541 675 L N 0.943 121.973 121.223 -0.322 0.000 2.741 675 L HA 0.199 4.572 4.340 0.055 0.000 0.237 675 L C 1.440 178.255 176.870 -0.092 0.000 1.178 675 L CA 0.739 55.333 54.840 -0.410 0.000 0.973 675 L CB -0.760 41.056 42.059 -0.405 0.000 1.255 675 L HN 0.050 nan 8.230 nan 0.000 0.498 676 T N -6.067 108.421 114.554 -0.110 0.000 3.025 676 T HA -0.042 4.340 4.350 0.055 0.000 0.142 676 T C 1.415 176.058 174.700 -0.095 0.000 0.865 676 T CA 0.679 62.735 62.100 -0.073 0.000 0.837 676 T CB -0.089 68.728 68.868 -0.085 0.000 1.934 676 T HN -0.007 nan 8.240 nan 0.000 0.331 677 T N -0.028 114.452 114.554 -0.123 0.000 3.148 677 T HA 0.244 4.626 4.350 0.055 0.000 0.253 677 T C 0.382 174.951 174.700 -0.219 0.000 1.134 677 T CA 0.096 62.107 62.100 -0.148 0.000 1.051 677 T CB -0.613 68.166 68.868 -0.150 0.000 0.959 677 T HN 0.555 nan 8.240 nan 0.000 0.525 678 E N 1.799 121.864 120.200 -0.226 0.000 2.105 678 E HA 0.345 4.728 4.350 0.055 0.000 0.285 678 E C -0.500 176.021 176.600 -0.131 0.000 1.055 678 E CA -0.208 55.981 56.400 -0.352 0.000 0.843 678 E CB 0.727 30.278 29.700 -0.249 0.000 1.067 678 E HN 0.553 nan 8.360 nan 0.000 0.398 679 E N 4.560 124.694 120.200 -0.110 0.000 2.260 679 E HA 0.251 4.634 4.350 0.055 0.000 0.266 679 E C -1.287 175.420 176.600 0.179 0.000 0.887 679 E CA -0.559 55.885 56.400 0.073 0.000 0.777 679 E CB 1.051 30.760 29.700 0.016 0.000 1.205 679 E HN 0.389 nan 8.360 nan 0.000 0.414 680 L N 3.881 125.211 121.223 0.178 0.000 2.312 680 L HA 0.555 4.928 4.340 0.055 0.000 0.281 680 L C -0.778 176.044 176.870 -0.080 0.000 1.070 680 L CA -0.892 53.932 54.840 -0.027 0.000 0.805 680 L CB 1.563 43.554 42.059 -0.114 0.000 1.174 680 L HN 0.378 nan 8.230 nan 0.000 0.434 681 V N 1.844 121.588 119.914 -0.284 0.000 2.567 681 V HA 0.377 4.530 4.120 0.055 0.000 0.298 681 V C -0.734 175.268 176.094 -0.154 0.000 1.047 681 V CA -0.749 61.518 62.300 -0.054 0.000 0.880 681 V CB 1.768 33.603 31.823 0.020 0.000 1.009 681 V HN 0.638 nan 8.190 nan 0.000 0.429 682 W N 2.376 123.717 121.300 0.068 0.000 2.516 682 W HA 0.465 5.157 4.660 0.054 0.000 0.343 682 W C 0.062 176.612 176.519 0.051 0.000 1.094 682 W CA -0.442 56.935 57.345 0.053 0.000 1.250 682 W CB 2.091 31.575 29.460 0.041 0.000 1.308 682 W HN 0.763 nan 8.180 nan 0.000 0.588 683 D N -0.413 120.135 120.400 0.247 0.000 2.447 683 D HA -0.071 4.602 4.640 0.055 0.000 0.265 683 D C 1.444 177.827 176.300 0.139 0.000 1.250 683 D CA 0.153 54.250 54.000 0.162 0.000 1.046 683 D CB -0.008 40.820 40.800 0.048 0.000 1.095 683 D HN 0.497 nan 8.370 nan 0.000 0.555 684 H N -1.562 117.559 119.070 0.086 0.000 2.547 684 H HA 0.053 4.642 4.556 0.055 0.000 0.272 684 H C 0.827 176.177 175.328 0.037 0.000 0.989 684 H CA 0.172 56.253 56.048 0.055 0.000 1.214 684 H CB -0.717 29.066 29.762 0.036 0.000 1.389 684 H HN 0.264 nan 8.280 nan 0.000 0.577 685 C N 1.129 120.192 119.300 -0.395 0.000 2.754 685 C HA 0.385 4.878 4.460 0.055 0.000 0.276 685 C C 1.845 176.778 174.990 -0.095 0.000 1.264 685 C CA 0.512 59.389 59.018 -0.235 0.000 1.700 685 C CB -0.845 26.708 27.740 -0.311 0.000 1.885 685 C HN 0.916 nan 8.230 nan 0.000 0.607 686 G N 1.306 110.103 108.800 -0.005 0.000 2.159 686 G HA2 -0.224 3.769 3.960 0.055 0.000 0.256 686 G HA3 -0.224 3.769 3.960 0.055 0.000 0.256 686 G C 0.050 175.105 174.900 0.258 0.000 0.977 686 G CA -0.376 44.786 45.100 0.103 0.000 0.652 686 G HN 0.606 nan 8.290 nan 0.000 0.531 687 R N -0.238 120.347 120.500 0.142 0.000 2.298 687 R HA 0.433 4.805 4.340 0.055 0.000 0.310 687 R C 0.313 176.670 176.300 0.096 0.000 1.068 687 R CA -0.803 55.352 56.100 0.091 0.000 0.957 687 R CB 1.042 31.328 30.300 -0.024 0.000 1.003 687 R HN 0.204 nan 8.270 nan 0.000 0.454 688 L N 4.389 125.602 121.223 -0.016 0.000 2.500 688 L HA -0.013 4.360 4.340 0.055 0.000 0.272 688 L C 0.716 177.541 176.870 -0.076 0.000 1.149 688 L CA 0.713 55.383 54.840 -0.284 0.000 0.897 688 L CB 0.627 42.502 42.059 -0.306 0.000 1.178 688 L HN 0.699 nan 8.230 nan 0.000 0.473 689 M N 2.293 121.850 119.600 -0.072 0.000 2.501 689 M HA 0.113 4.626 4.480 0.055 0.000 0.261 689 M C 0.855 177.191 176.300 0.060 0.000 1.129 689 M CA 0.530 55.873 55.300 0.071 0.000 1.126 689 M CB -1.114 31.508 32.600 0.036 0.000 1.359 689 M HN 0.688 nan 8.290 nan 0.000 0.471 690 T N -0.230 114.299 114.554 -0.043 0.000 3.145 690 T HA 0.308 4.691 4.350 0.055 0.000 0.348 690 T C 0.381 175.070 174.700 -0.019 0.000 1.299 690 T CA -0.531 61.550 62.100 -0.031 0.000 1.037 690 T CB -0.621 68.257 68.868 0.017 0.000 1.122 690 T HN 0.523 nan 8.240 nan 0.000 0.600 691 H N 0.848 119.897 119.070 -0.034 0.000 2.865 691 H HA 0.656 5.244 4.556 0.054 0.000 0.247 691 H C -0.341 175.007 175.328 0.032 0.000 1.181 691 H CA -0.663 55.361 56.048 -0.039 0.000 0.975 691 H CB -0.122 29.603 29.762 -0.061 0.000 1.899 691 H HN 0.698 nan 8.280 nan 0.000 0.651 692 A N 1.193 123.969 122.820 -0.073 0.000 2.599 692 A HA 0.492 4.845 4.320 0.055 0.000 0.290 692 A C -2.360 175.323 177.584 0.165 0.000 1.101 692 A CA -1.338 50.720 52.037 0.034 0.000 0.674 692 A CB 1.355 20.291 19.000 -0.107 0.000 1.277 692 A HN -0.027 nan 8.150 nan 0.000 0.419 693 P HA -0.099 nan 4.420 nan 0.000 0.218 693 P C 1.561 178.875 177.300 0.023 0.000 1.149 693 P CA 2.234 65.431 63.100 0.160 0.000 0.817 693 P CB 0.086 31.934 31.700 0.247 0.000 0.785 694 S N -1.387 114.323 115.700 0.016 0.000 2.402 694 S HA -0.125 4.377 4.470 0.055 0.000 0.229 694 S C 1.961 176.541 174.600 -0.035 0.000 1.021 694 S CA 1.790 59.980 58.200 -0.018 0.000 0.974 694 S CB -1.805 61.384 63.200 -0.020 0.000 0.800 694 S HN 0.302 nan 8.310 nan 0.000 0.484 695 T N -2.199 112.334 114.554 -0.035 0.000 3.040 695 T HA 0.197 4.580 4.350 0.055 0.000 0.252 695 T C 0.190 174.902 174.700 0.020 0.000 1.064 695 T CA -0.326 61.756 62.100 -0.031 0.000 1.110 695 T CB -0.409 68.418 68.868 -0.070 0.000 0.921 695 T HN 0.417 nan 8.240 nan 0.000 0.480 696 Y N 1.644 121.891 120.300 -0.089 0.000 2.331 696 Y HA 0.632 5.215 4.550 0.055 0.000 0.338 696 Y C -1.017 174.780 175.900 -0.171 0.000 0.992 696 Y CA -1.229 56.814 58.100 -0.095 0.000 1.121 696 Y CB 1.213 39.648 38.460 -0.042 0.000 1.184 696 Y HN -0.177 nan 8.280 nan 0.000 0.469 697 K N 7.924 127.979 120.400 -0.575 0.000 2.527 697 K HA 0.322 4.675 4.320 0.055 0.000 0.240 697 K C -0.847 175.464 176.600 -0.482 0.000 0.989 697 K CA -0.375 55.662 56.287 -0.418 0.000 0.985 697 K CB 0.079 32.411 32.500 -0.279 0.000 1.221 697 K HN 0.732 nan 8.250 nan 0.000 0.458 698 I N -1.029 119.288 120.570 -0.421 0.000 2.713 698 I HA 0.563 4.766 4.170 0.055 0.000 0.300 698 I C -1.836 174.168 176.117 -0.188 0.000 1.009 698 I CA -2.594 58.530 61.300 -0.294 0.000 1.305 698 I CB 0.631 38.475 38.000 -0.260 0.000 1.430 698 I HN 0.239 nan 8.210 nan 0.000 0.546 699 P HA 0.052 nan 4.420 nan 0.000 0.256 699 P C -0.451 176.817 177.300 -0.053 0.000 1.173 699 P CA 0.276 63.325 63.100 -0.084 0.000 0.768 699 P CB 0.308 31.972 31.700 -0.060 0.000 0.758 700 A N 3.394 126.194 122.820 -0.034 0.000 2.272 700 A HA 0.265 4.618 4.320 0.055 0.000 0.275 700 A C 1.102 178.731 177.584 0.075 0.000 1.096 700 A CA -0.426 51.627 52.037 0.027 0.000 0.822 700 A CB -0.224 18.792 19.000 0.027 0.000 1.088 700 A HN 0.514 nan 8.150 nan 0.000 0.495 701 F N 1.377 121.328 119.950 0.002 0.000 2.045 701 F HA -0.289 4.270 4.527 0.054 0.000 0.297 701 F C 2.604 178.416 175.800 0.021 0.000 1.114 701 F CA 3.119 61.131 58.000 0.020 0.000 1.207 701 F CB -0.161 38.851 39.000 0.020 0.000 0.964 701 F HN 0.506 nan 8.300 nan 0.000 0.486 702 S N -1.021 114.837 115.700 0.264 0.000 2.660 702 S HA -0.058 4.445 4.470 0.055 0.000 0.223 702 S C 1.088 175.708 174.600 0.034 0.000 0.963 702 S CA 0.700 58.994 58.200 0.157 0.000 0.932 702 S CB -0.524 62.768 63.200 0.154 0.000 0.775 702 S HN 0.396 nan 8.310 nan 0.000 0.531 703 D N 2.291 122.688 120.400 -0.004 0.000 2.323 703 D HA 0.010 4.683 4.640 0.055 0.000 0.209 703 D C 0.927 177.187 176.300 -0.066 0.000 0.973 703 D CA 0.222 54.198 54.000 -0.040 0.000 0.874 703 D CB -0.181 40.592 40.800 -0.045 0.000 0.930 703 D HN 0.703 nan 8.370 nan 0.000 0.521 704 R N 1.359 121.804 120.500 -0.092 0.000 2.619 704 R HA 0.134 4.507 4.340 0.055 0.000 0.268 704 R C -2.480 173.742 176.300 -0.132 0.000 0.990 704 R CA -0.907 55.143 56.100 -0.085 0.000 1.092 704 R CB -0.901 29.349 30.300 -0.083 0.000 0.935 704 R HN -0.157 nan 8.270 nan 0.000 0.415 705 P HA -0.037 nan 4.420 nan 0.000 0.260 705 P C 0.073 177.272 177.300 -0.170 0.000 1.185 705 P CA -0.058 62.846 63.100 -0.326 0.000 0.763 705 P CB 0.546 31.813 31.700 -0.721 0.000 0.776 706 R N 2.818 123.257 120.500 -0.101 0.000 2.154 706 R HA -0.058 4.314 4.340 0.055 0.000 0.248 706 R C 0.765 177.054 176.300 -0.018 0.000 1.155 706 R CA 1.233 57.308 56.100 -0.041 0.000 0.979 706 R CB -0.606 29.671 30.300 -0.039 0.000 0.869 706 R HN 0.523 nan 8.270 nan 0.000 0.452 707 I N -0.131 120.413 120.570 -0.044 0.000 2.418 707 I HA 0.221 4.424 4.170 0.055 0.000 0.287 707 I C -0.762 175.354 176.117 -0.002 0.000 1.008 707 I CA -0.449 60.850 61.300 -0.002 0.000 1.104 707 I CB 1.719 39.713 38.000 -0.009 0.000 1.264 707 I HN -0.151 nan 8.210 nan 0.000 0.438 708 F N 6.535 126.435 119.950 -0.083 0.000 2.434 708 F HA 0.428 4.988 4.527 0.055 0.000 0.367 708 F C -0.372 175.367 175.800 -0.103 0.000 1.093 708 F CA -0.869 57.056 58.000 -0.124 0.000 1.085 708 F CB 0.677 39.604 39.000 -0.121 0.000 1.322 708 F HN 0.457 nan 8.300 nan 0.000 0.452 709 N N 5.266 124.106 118.700 0.234 0.000 2.444 709 N HA 0.366 5.138 4.740 0.055 0.000 0.262 709 N C -1.110 174.448 175.510 0.079 0.000 0.974 709 N CA -0.265 52.846 53.050 0.102 0.000 0.933 709 N CB 2.529 41.049 38.487 0.055 0.000 1.137 709 N HN 0.161 nan 8.380 nan 0.000 0.498 710 V N 0.821 120.741 119.914 0.010 0.000 2.540 710 V HA 0.857 5.010 4.120 0.055 0.000 0.302 710 V C -0.184 175.915 176.094 0.010 0.000 1.035 710 V CA -0.863 61.432 62.300 -0.008 0.000 0.873 710 V CB 1.484 33.238 31.823 -0.115 0.000 0.992 710 V HN 0.752 nan 8.190 nan 0.000 0.428 711 A N 4.800 127.650 122.820 0.051 0.000 2.486 711 A HA 0.871 5.224 4.320 0.055 0.000 0.300 711 A C -1.154 176.497 177.584 0.111 0.000 1.048 711 A CA -0.627 51.447 52.037 0.062 0.000 0.696 711 A CB 1.376 20.413 19.000 0.061 0.000 1.278 711 A HN 0.788 nan 8.150 nan 0.000 0.405 712 L N 2.611 123.893 121.223 0.097 0.000 2.290 712 L HA 0.218 4.591 4.340 0.055 0.000 0.284 712 L C 0.198 177.167 176.870 0.165 0.000 1.078 712 L CA -0.401 54.524 54.840 0.143 0.000 0.815 712 L CB 0.883 42.999 42.059 0.096 0.000 1.162 712 L HN 0.812 nan 8.230 nan 0.000 0.435 713 W N 5.357 126.675 121.300 0.031 0.000 2.591 713 W HA -0.003 4.689 4.660 0.054 0.000 0.330 713 W C -0.548 175.975 176.519 0.006 0.000 1.435 713 W CA -0.036 57.314 57.345 0.007 0.000 1.350 713 W CB 0.716 30.169 29.460 -0.011 0.000 1.434 713 W HN 0.550 nan 8.180 nan 0.000 0.553 714 D N 5.348 125.534 120.400 -0.356 0.000 2.460 714 D HA 0.199 4.872 4.640 0.055 0.000 0.232 714 D C -1.049 175.016 176.300 -0.390 0.000 1.079 714 D CA 0.008 53.854 54.000 -0.257 0.000 0.864 714 D CB 0.802 41.507 40.800 -0.159 0.000 1.048 714 D HN 0.461 nan 8.370 nan 0.000 0.523 715 Q N 3.707 123.374 119.800 -0.222 0.000 2.313 715 Q HA 0.363 4.736 4.340 0.055 0.000 0.260 715 Q C -2.776 173.227 176.000 0.006 0.000 0.972 715 Q CA -1.897 53.820 55.803 -0.143 0.000 0.886 715 Q CB 2.014 30.671 28.738 -0.135 0.000 1.373 715 Q HN 0.209 nan 8.270 nan 0.000 0.416 716 P HA 0.028 nan 4.420 nan 0.000 0.269 716 P C -0.856 176.449 177.300 0.008 0.000 1.215 716 P CA -0.318 62.781 63.100 -0.002 0.000 0.780 716 P CB 0.553 32.247 31.700 -0.010 0.000 0.898 717 N N 1.625 120.300 118.700 -0.041 0.000 2.518 717 N HA 0.028 4.800 4.740 0.055 0.000 0.266 717 N C 1.144 176.618 175.510 -0.061 0.000 1.196 717 N CA 0.064 53.059 53.050 -0.092 0.000 0.947 717 N CB 0.549 38.877 38.487 -0.265 0.000 1.098 717 N HN 0.235 nan 8.380 nan 0.000 0.450 718 R N 1.240 121.724 120.500 -0.026 0.000 2.092 718 R HA -0.014 4.359 4.340 0.055 0.000 0.231 718 R C 0.157 176.443 176.300 -0.024 0.000 1.119 718 R CA 0.845 56.942 56.100 -0.004 0.000 0.970 718 R CB 0.009 30.329 30.300 0.033 0.000 0.864 718 R HN 0.616 nan 8.270 nan 0.000 0.440 719 E N 1.573 121.740 120.200 -0.055 0.000 2.349 719 E HA 0.033 4.415 4.350 0.055 0.000 0.265 719 E C -0.494 176.055 176.600 -0.086 0.000 1.064 719 E CA -0.043 56.328 56.400 -0.048 0.000 0.886 719 E CB 0.743 30.431 29.700 -0.020 0.000 1.036 719 E HN 0.178 nan 8.360 nan 0.000 0.413 720 E N 1.708 121.879 120.200 -0.048 0.000 2.148 720 E HA 0.035 4.418 4.350 0.055 0.000 0.308 720 E C 0.080 176.624 176.600 -0.093 0.000 1.278 720 E CA -0.135 56.225 56.400 -0.068 0.000 1.368 720 E CB -0.070 29.606 29.700 -0.040 0.000 1.229 720 E HN 0.386 nan 8.360 nan 0.000 0.494 721 T N -1.250 113.217 114.554 -0.145 0.000 2.824 721 T HA 0.237 4.620 4.350 0.055 0.000 0.277 721 T C 0.514 175.096 174.700 -0.197 0.000 0.975 721 T CA -0.949 61.048 62.100 -0.171 0.000 0.966 721 T CB 0.991 69.734 68.868 -0.208 0.000 1.054 721 T HN 0.159 nan 8.240 nan 0.000 0.533 722 I N 2.253 122.699 120.570 -0.208 0.000 2.907 722 I HA 0.127 4.330 4.170 0.055 0.000 0.285 722 I C -0.075 176.030 176.117 -0.020 0.000 1.189 722 I CA -0.390 60.795 61.300 -0.191 0.000 1.376 722 I CB -1.688 36.235 38.000 -0.129 0.000 1.420 722 I HN 0.735 nan 8.210 nan 0.000 0.544 723 F N 6.819 126.708 119.950 -0.102 0.000 3.056 723 F HA -0.325 4.234 4.527 0.054 0.000 0.266 723 F C 1.106 176.858 175.800 -0.080 0.000 0.957 723 F CA 0.757 58.710 58.000 -0.079 0.000 0.894 723 F CB -1.329 37.630 39.000 -0.069 0.000 0.832 723 F HN 0.638 nan 8.300 nan 0.000 0.745 724 R N -2.253 118.241 120.500 -0.010 0.000 3.758 724 R HA -0.216 4.157 4.340 0.055 0.000 0.299 724 R C 0.643 176.915 176.300 -0.046 0.000 1.182 724 R CA 0.951 57.021 56.100 -0.050 0.000 0.809 724 R CB -2.633 27.651 30.300 -0.027 0.000 1.249 724 R HN 0.646 nan 8.270 nan 0.000 0.497 725 S N -0.444 115.237 115.700 -0.032 0.000 2.652 725 S HA 0.681 5.184 4.470 0.055 0.000 0.267 725 S C 0.202 174.754 174.600 -0.081 0.000 1.201 725 S CA -0.609 57.578 58.200 -0.022 0.000 0.996 725 S CB 2.176 65.386 63.200 0.017 0.000 1.054 725 S HN 0.218 nan 8.310 nan 0.000 0.561 726 K N -0.253 120.150 120.400 0.004 0.000 2.501 726 K HA 0.576 4.929 4.320 0.055 0.000 0.252 726 K C -0.915 175.782 176.600 0.162 0.000 0.934 726 K CA -0.729 55.615 56.287 0.095 0.000 0.797 726 K CB 2.185 34.777 32.500 0.152 0.000 1.270 726 K HN 0.853 nan 8.250 nan 0.000 0.431 727 A N 1.551 124.509 122.820 0.230 0.000 2.584 727 A HA 0.031 4.384 4.320 0.055 0.000 0.239 727 A C 0.635 178.285 177.584 0.111 0.000 1.043 727 A CA 0.194 52.302 52.037 0.120 0.000 0.756 727 A CB 0.211 19.250 19.000 0.065 0.000 0.963 727 A HN 0.523 nan 8.150 nan 0.000 0.511 728 V N 3.408 123.366 119.914 0.072 0.000 3.346 728 V HA 0.247 4.400 4.120 0.055 0.000 0.309 728 V C 1.618 177.714 176.094 0.003 0.000 1.457 728 V CA 1.043 63.392 62.300 0.081 0.000 1.069 728 V CB -0.135 31.749 31.823 0.102 0.000 0.944 728 V HN 1.101 nan 8.190 nan 0.000 0.449 729 G N 0.305 109.089 108.800 -0.026 0.000 2.433 729 G HA2 -0.179 3.813 3.960 0.055 0.000 0.216 729 G HA3 -0.179 3.813 3.960 0.055 0.000 0.216 729 G C 1.228 176.077 174.900 -0.086 0.000 1.186 729 G CA 1.374 46.447 45.100 -0.044 0.000 0.779 729 G HN 0.588 nan 8.290 nan 0.000 0.543 730 E N 0.069 120.141 120.200 -0.212 0.000 2.228 730 E HA 0.049 4.432 4.350 0.055 0.000 0.197 730 E C -0.335 175.921 176.600 -0.575 0.000 0.909 730 E CA -0.153 56.008 56.400 -0.398 0.000 0.911 730 E CB 0.032 29.401 29.700 -0.552 0.000 0.887 730 E HN 0.161 nan 8.360 nan 0.000 0.481 731 P HA -0.227 nan 4.420 nan 0.000 0.222 731 P C -1.626 175.578 177.300 -0.161 0.000 1.159 731 P CA 2.422 65.262 63.100 -0.433 0.000 0.920 731 P CB -1.050 30.666 31.700 0.028 0.000 0.793 732 P HA -0.138 nan 4.420 nan 0.000 0.230 732 P C 1.447 178.727 177.300 -0.032 0.000 1.158 732 P CA 0.837 63.782 63.100 -0.258 0.000 0.769 732 P CB -0.591 30.877 31.700 -0.385 0.000 0.807 733 F N 1.301 121.155 119.950 -0.160 0.000 2.171 733 F HA -0.144 4.416 4.527 0.055 0.000 0.300 733 F C 1.701 177.454 175.800 -0.078 0.000 1.090 733 F CA 1.254 59.185 58.000 -0.114 0.000 1.293 733 F CB -0.651 38.256 39.000 -0.156 0.000 1.013 733 F HN -0.277 nan 8.300 nan 0.000 0.486 734 L N 0.286 121.559 121.223 0.084 0.000 2.551 734 L HA -0.111 4.262 4.340 0.055 0.000 0.228 734 L C 1.862 178.744 176.870 0.021 0.000 1.153 734 L CA 0.880 55.766 54.840 0.077 0.000 0.851 734 L CB -0.930 41.227 42.059 0.163 0.000 0.959 734 L HN 0.200 nan 8.230 nan 0.000 0.451 735 L N -0.715 120.516 121.223 0.014 0.000 2.456 735 L HA -0.054 4.319 4.340 0.055 0.000 0.224 735 L C 2.371 179.232 176.870 -0.014 0.000 1.148 735 L CA 0.752 55.645 54.840 0.090 0.000 0.825 735 L CB -0.884 41.304 42.059 0.215 0.000 0.937 735 L HN 0.396 nan 8.230 nan 0.000 0.450 736 G N 0.020 108.654 108.800 -0.276 0.000 2.534 736 G HA2 -0.136 3.857 3.960 0.055 0.000 0.217 736 G HA3 -0.136 3.857 3.960 0.055 0.000 0.217 736 G C 1.569 176.322 174.900 -0.244 0.000 1.128 736 G CA 0.125 44.921 45.100 -0.507 0.000 0.784 736 G HN 0.261 nan 8.290 nan 0.000 0.542 737 I N 0.896 121.409 120.570 -0.096 0.000 2.127 737 I HA -0.250 3.953 4.170 0.055 0.000 0.241 737 I C 3.008 179.159 176.117 0.056 0.000 1.075 737 I CA 1.402 62.701 61.300 -0.001 0.000 1.334 737 I CB -0.268 37.764 38.000 0.053 0.000 1.040 737 I HN 0.286 nan 8.210 nan 0.000 0.405 738 S N 0.508 116.247 115.700 0.065 0.000 2.434 738 S HA -0.391 4.112 4.470 0.055 0.000 0.250 738 S C 2.081 176.725 174.600 0.074 0.000 1.102 738 S CA 2.138 60.393 58.200 0.092 0.000 1.104 738 S CB -0.371 62.915 63.200 0.144 0.000 0.957 738 S HN 0.538 nan 8.310 nan 0.000 0.456 739 A N -0.049 122.785 122.820 0.024 0.000 1.872 739 A HA 0.104 4.456 4.320 0.055 0.000 0.214 739 A C 2.005 179.599 177.584 0.017 0.000 1.187 739 A CA 1.444 53.480 52.037 -0.002 0.000 0.614 739 A CB -1.121 17.819 19.000 -0.100 0.000 0.826 739 A HN 0.674 nan 8.150 nan 0.000 0.442 740 F N 0.043 119.920 119.950 -0.122 0.000 2.171 740 F HA -0.143 4.417 4.527 0.055 0.000 0.300 740 F C 1.825 177.583 175.800 -0.070 0.000 1.090 740 F CA 1.287 59.215 58.000 -0.119 0.000 1.293 740 F CB -0.100 38.803 39.000 -0.163 0.000 1.013 740 F HN 0.143 nan 8.300 nan 0.000 0.486 741 L N 0.238 121.518 121.223 0.094 0.000 2.046 741 L HA -0.098 4.275 4.340 0.055 0.000 0.208 741 L C 2.654 179.542 176.870 0.030 0.000 1.077 741 L CA 1.888 56.748 54.840 0.033 0.000 0.747 741 L CB -1.745 40.364 42.059 0.083 0.000 0.896 741 L HN 0.218 nan 8.230 nan 0.000 0.432 742 A N -1.399 121.431 122.820 0.017 0.000 1.930 742 A HA -0.154 4.199 4.320 0.055 0.000 0.217 742 A C 2.189 179.741 177.584 -0.054 0.000 1.175 742 A CA 1.220 53.263 52.037 0.011 0.000 0.627 742 A CB -0.650 18.358 19.000 0.014 0.000 0.815 742 A HN 0.306 nan 8.150 nan 0.000 0.443 743 L N -0.284 120.864 121.223 -0.124 0.000 2.017 743 L HA -0.178 4.195 4.340 0.055 0.000 0.208 743 L C 2.430 179.166 176.870 -0.224 0.000 1.073 743 L CA 2.627 57.350 54.840 -0.194 0.000 0.745 743 L CB -1.236 40.657 42.059 -0.276 0.000 0.894 743 L HN 0.763 nan 8.230 nan 0.000 0.432 744 H N -1.553 117.281 119.070 -0.394 0.000 2.421 744 H HA -0.168 4.420 4.556 0.055 0.000 0.298 744 H C 2.045 177.236 175.328 -0.229 0.000 1.087 744 H CA 1.775 57.596 56.048 -0.379 0.000 1.330 744 H CB -0.150 29.340 29.762 -0.453 0.000 1.388 744 H HN 0.457 nan 8.280 nan 0.000 0.526 745 D N 0.321 120.651 120.400 -0.117 0.000 2.144 745 D HA -0.166 4.507 4.640 0.055 0.000 0.199 745 D C 2.193 178.396 176.300 -0.163 0.000 0.984 745 D CA 1.184 55.111 54.000 -0.123 0.000 0.834 745 D CB -0.143 40.677 40.800 0.032 0.000 0.955 745 D HN 0.591 nan 8.370 nan 0.000 0.465 746 A N 0.513 123.248 122.820 -0.141 0.000 1.877 746 A HA -0.184 4.169 4.320 0.055 0.000 0.216 746 A C 2.785 180.285 177.584 -0.140 0.000 1.186 746 A CA 1.559 53.531 52.037 -0.109 0.000 0.620 746 A CB -1.102 17.845 19.000 -0.090 0.000 0.822 746 A HN 0.489 nan 8.150 nan 0.000 0.443 747 C N -0.731 118.441 119.300 -0.213 0.000 2.393 747 C HA -0.057 4.435 4.460 0.055 0.000 0.276 747 C C 3.150 178.001 174.990 -0.231 0.000 1.215 747 C CA 0.910 59.790 59.018 -0.230 0.000 1.743 747 C CB -1.529 26.026 27.740 -0.308 0.000 2.044 747 C HN 0.702 nan 8.230 nan 0.000 0.464 748 A N -0.159 122.455 122.820 -0.343 0.000 2.259 748 A HA 0.250 4.603 4.320 0.055 0.000 0.212 748 A C 1.882 179.394 177.584 -0.120 0.000 1.178 748 A CA 1.603 53.487 52.037 -0.255 0.000 0.734 748 A CB -0.434 18.357 19.000 -0.350 0.000 0.774 748 A HN 0.692 nan 8.150 nan 0.000 0.481 749 A N -2.349 120.410 122.820 -0.101 0.000 2.465 749 A HA 0.336 4.689 4.320 0.055 0.000 0.255 749 A C 1.193 178.757 177.584 -0.033 0.000 1.274 749 A CA 0.561 52.570 52.037 -0.047 0.000 0.920 749 A CB -0.520 18.465 19.000 -0.025 0.000 1.033 749 A HN 0.512 nan 8.150 nan 0.000 0.516 750 C N -0.835 118.438 119.300 -0.047 0.000 3.038 750 C HA 0.585 5.078 4.460 0.055 0.000 0.279 750 C C 1.329 176.313 174.990 -0.010 0.000 1.276 750 C CA 0.062 59.062 59.018 -0.031 0.000 1.697 750 C CB -0.799 26.914 27.740 -0.045 0.000 2.032 750 C HN 0.731 nan 8.230 nan 0.000 0.636 751 G N 0.812 109.613 108.800 0.001 0.000 2.441 751 G HA2 0.430 4.423 3.960 0.055 0.000 0.294 751 G HA3 0.430 4.423 3.960 0.055 0.000 0.294 751 G C -2.588 172.339 174.900 0.045 0.000 1.393 751 G CA -0.173 44.956 45.100 0.049 0.000 0.796 751 G HN -0.191 nan 8.290 nan 0.000 0.494 752 P HA 0.136 nan 4.420 nan 0.000 0.245 752 P C 0.068 177.316 177.300 -0.086 0.000 1.203 752 P CA 0.336 63.407 63.100 -0.048 0.000 0.792 752 P CB 0.229 31.852 31.700 -0.128 0.000 0.997 753 H N -0.702 118.401 119.070 0.055 0.000 2.505 753 H HA 0.057 4.646 4.556 0.055 0.000 0.355 753 H C -0.054 175.366 175.328 0.152 0.000 1.179 753 H CA -0.620 55.491 56.048 0.105 0.000 1.343 753 H CB 0.965 30.772 29.762 0.075 0.000 1.501 753 H HN 0.177 nan 8.280 nan 0.000 0.569 754 W N 4.556 125.940 121.300 0.139 0.000 2.489 754 W HA 0.029 4.722 4.660 0.054 0.000 0.327 754 W C -2.177 174.381 176.519 0.065 0.000 1.436 754 W CA -1.666 55.734 57.345 0.093 0.000 1.315 754 W CB 0.502 30.033 29.460 0.120 0.000 1.373 754 W HN 0.523 nan 8.180 nan 0.000 0.557 755 P HA -0.169 nan 4.420 nan 0.000 0.221 755 P C 0.051 177.014 177.300 -0.561 0.000 1.150 755 P CA 1.281 64.103 63.100 -0.463 0.000 0.800 755 P CB 0.030 31.437 31.700 -0.488 0.000 0.787 756 D N -1.311 118.408 120.400 -1.136 0.000 2.802 756 D HA -0.181 4.492 4.640 0.055 0.000 0.229 756 D C -0.497 175.641 176.300 -0.270 0.000 1.203 756 D CA 0.168 53.770 54.000 -0.663 0.000 0.712 756 D CB -1.157 39.568 40.800 -0.125 0.000 0.973 756 D HN -0.023 nan 8.370 nan 0.000 0.407 757 L N 1.608 122.648 121.223 -0.305 0.000 2.455 757 L HA 0.204 4.577 4.340 0.055 0.000 0.272 757 L C 0.308 177.277 176.870 0.166 0.000 1.174 757 L CA 0.475 55.234 54.840 -0.135 0.000 0.869 757 L CB 0.856 42.716 42.059 -0.331 0.000 1.130 757 L HN 0.120 nan 8.230 nan 0.000 0.474 758 Q N 3.702 123.644 119.800 0.236 0.000 2.205 758 Q HA 0.654 5.027 4.340 0.055 0.000 0.249 758 Q C -0.627 175.626 176.000 0.422 0.000 0.948 758 Q CA -0.473 55.556 55.803 0.375 0.000 0.895 758 Q CB 1.638 30.506 28.738 0.217 0.000 1.249 758 Q HN 0.792 nan 8.270 nan 0.000 0.458 759 A N 2.867 125.822 122.820 0.224 0.000 2.317 759 A HA 0.666 5.019 4.320 0.055 0.000 0.327 759 A C -2.231 175.298 177.584 -0.091 0.000 1.178 759 A CA -1.513 50.478 52.037 -0.076 0.000 0.817 759 A CB 0.406 19.026 19.000 -0.635 0.000 1.189 759 A HN 0.419 nan 8.150 nan 0.000 0.489 760 P HA 0.245 nan 4.420 nan 0.000 0.275 760 P C -0.151 177.198 177.300 0.081 0.000 1.228 760 P CA -0.047 63.002 63.100 -0.085 0.000 0.786 760 P CB 1.074 32.721 31.700 -0.088 0.000 0.927 761 A N 2.425 125.354 122.820 0.183 0.000 3.063 761 A HA 0.275 4.628 4.320 0.055 0.000 0.263 761 A C 1.031 178.611 177.584 -0.007 0.000 1.736 761 A CA -0.217 51.876 52.037 0.092 0.000 1.408 761 A CB -1.628 17.359 19.000 -0.022 0.000 1.108 761 A HN 0.621 nan 8.150 nan 0.000 0.621 762 T N -1.255 113.292 114.554 -0.012 0.000 2.724 762 T HA 0.173 4.556 4.350 0.055 0.000 0.324 762 T C -1.474 173.201 174.700 -0.042 0.000 1.071 762 T CA -0.641 61.438 62.100 -0.035 0.000 1.061 762 T CB 0.051 68.903 68.868 -0.028 0.000 0.990 762 T HN 0.207 nan 8.240 nan 0.000 0.543 763 P HA -0.129 nan 4.420 nan 0.000 0.215 763 P C 1.598 178.875 177.300 -0.038 0.000 1.157 763 P CA 1.492 64.565 63.100 -0.044 0.000 0.874 763 P CB -0.039 31.638 31.700 -0.039 0.000 0.790 764 E N -0.046 120.138 120.200 -0.028 0.000 2.065 764 E HA -0.276 4.107 4.350 0.055 0.000 0.201 764 E C 1.898 178.485 176.600 -0.022 0.000 1.016 764 E CA 1.914 58.302 56.400 -0.021 0.000 0.818 764 E CB -0.824 28.870 29.700 -0.010 0.000 0.749 764 E HN 0.102 nan 8.360 nan 0.000 0.453 765 A N 0.227 123.036 122.820 -0.018 0.000 2.015 765 A HA -0.074 4.278 4.320 0.055 0.000 0.219 765 A C 2.395 179.949 177.584 -0.050 0.000 1.163 765 A CA 1.281 53.309 52.037 -0.014 0.000 0.646 765 A CB -0.374 18.636 19.000 0.016 0.000 0.806 765 A HN 0.252 nan 8.150 nan 0.000 0.448 766 V N -0.408 119.465 119.914 -0.068 0.000 2.379 766 V HA -0.192 3.961 4.120 0.055 0.000 0.245 766 V C 2.438 178.479 176.094 -0.088 0.000 1.044 766 V CA 1.779 64.017 62.300 -0.102 0.000 1.036 766 V CB -0.656 31.104 31.823 -0.106 0.000 0.664 766 V HN 0.574 nan 8.190 nan 0.000 0.453 767 L N 0.961 122.145 121.223 -0.064 0.000 2.012 767 L HA -0.154 4.218 4.340 0.055 0.000 0.210 767 L C 2.479 179.314 176.870 -0.057 0.000 1.073 767 L CA 2.487 57.295 54.840 -0.055 0.000 0.748 767 L CB -1.069 40.966 42.059 -0.040 0.000 0.891 767 L HN 0.253 nan 8.230 nan 0.000 0.431 768 A N -0.695 122.094 122.820 -0.051 0.000 1.883 768 A HA -0.141 4.211 4.320 0.055 0.000 0.217 768 A C 2.419 179.960 177.584 -0.071 0.000 1.186 768 A CA 2.008 54.017 52.037 -0.048 0.000 0.624 768 A CB -1.203 17.780 19.000 -0.029 0.000 0.822 768 A HN 0.565 nan 8.150 nan 0.000 0.444 769 A N -0.938 121.824 122.820 -0.096 0.000 2.015 769 A HA 0.102 4.455 4.320 0.055 0.000 0.219 769 A C 2.196 179.691 177.584 -0.150 0.000 1.163 769 A CA 1.554 53.504 52.037 -0.145 0.000 0.646 769 A CB -0.661 18.224 19.000 -0.191 0.000 0.806 769 A HN 0.342 nan 8.150 nan 0.000 0.448 770 V N 0.039 119.881 119.914 -0.121 0.000 2.323 770 V HA -0.212 3.941 4.120 0.055 0.000 0.244 770 V C 2.647 178.691 176.094 -0.083 0.000 1.041 770 V CA 1.952 64.189 62.300 -0.104 0.000 1.025 770 V CB -0.669 31.104 31.823 -0.084 0.000 0.656 770 V HN 0.519 nan 8.190 nan 0.000 0.451 771 R N -0.243 120.213 120.500 -0.075 0.000 2.091 771 R HA -0.154 4.219 4.340 0.055 0.000 0.238 771 R C 2.474 178.722 176.300 -0.087 0.000 1.136 771 R CA 1.464 57.523 56.100 -0.068 0.000 0.959 771 R CB -0.424 29.842 30.300 -0.056 0.000 0.856 771 R HN 0.478 nan 8.270 nan 0.000 0.437 772 R N 0.328 120.773 120.500 -0.092 0.000 2.083 772 R HA -0.125 4.248 4.340 0.055 0.000 0.237 772 R C 2.365 178.604 176.300 -0.101 0.000 1.137 772 R CA 1.645 57.683 56.100 -0.104 0.000 0.951 772 R CB -0.422 29.829 30.300 -0.081 0.000 0.851 772 R HN 0.216 nan 8.270 nan 0.000 0.434 773 A N 1.093 123.877 122.820 -0.059 0.000 1.933 773 A HA -0.187 4.165 4.320 0.055 0.000 0.218 773 A C 1.847 179.474 177.584 0.071 0.000 1.175 773 A CA 1.414 53.463 52.037 0.019 0.000 0.628 773 A CB -0.301 18.662 19.000 -0.061 0.000 0.814 773 A HN 0.345 nan 8.150 nan 0.000 0.444 774 E N -1.414 118.782 120.200 -0.007 0.000 2.208 774 E HA 0.180 4.563 4.350 0.055 0.000 0.193 774 E C 0.931 177.502 176.600 -0.048 0.000 0.988 774 E CA 0.335 56.736 56.400 0.002 0.000 0.828 774 E CB -0.185 29.499 29.700 -0.027 0.000 0.763 774 E HN 0.772 nan 8.360 nan 0.000 0.478 775 G N 2.173 110.854 108.800 -0.199 0.000 2.470 775 G HA2 -0.284 3.709 3.960 0.055 0.000 0.286 775 G HA3 -0.284 3.709 3.960 0.055 0.000 0.286 775 G C -0.405 174.377 174.900 -0.197 0.000 1.115 775 G CA 0.290 45.141 45.100 -0.415 0.000 1.122 775 G HN 0.278 nan 8.290 nan 0.000 0.522 776 R N -0.266 120.154 120.500 -0.133 0.000 2.518 776 R HA 0.812 5.185 4.340 0.055 0.000 0.296 776 R C 0.669 176.930 176.300 -0.065 0.000 1.080 776 R CA 0.007 56.059 56.100 -0.080 0.000 0.922 776 R CB 1.153 31.420 30.300 -0.055 0.000 1.184 776 R HN 1.946 nan 8.270 nan 0.000 0.445 777 A N 0.000 122.788 122.820 -0.053 0.000 2.254 777 A HA 0.000 4.353 4.320 0.055 0.000 0.244 777 A CA 0.000 52.014 52.037 -0.038 0.000 0.836 777 A CB 0.000 18.984 19.000 -0.026 0.000 0.831 777 A HN 0.000 nan 8.150 nan 0.000 0.486