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 1vsz_1_G DATA FIRST_RESID 2 DATA SEQUENCE ATPSMMPQWS YMHISGQDAS EYLSPGLVQF ARATETYFSL NNKFRNPTVA DATA SEQUENCE PTHDVTTDRS QRLTLRFIPV DREDTAYSYK ARFTLAVGDN RVLDMASTYF DATA SEQUENCE DIRGVLDRGP TFKPYSGTAY NALAPKGAPN PCEWDXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXTHVFGQ APYSGINITK EGIQIGVEGQ TPKYADKTFQ DATA SEQUENCE PEPQIGESQW YETEINHAAG RVLKKTTPMK PCYGSYAKPT NENGGQGILV DATA SEQUENCE KQQNGKLESQ VEMQFFSTTX XXXXXXXNLT PKVVLYSEDV DIETPDTHIS DATA SEQUENCE YMPTIKEGNS RELMGQQSMP NRPNYIAFRD NFIGLMYYNS TGNMGVLAGQ DATA SEQUENCE ASQLNAVVDL QDRNTELSYQ LLLDSIGDRT RYFSMWNQAV DSYDPDVRII DATA SEQUENCE ENHGTEDELP NYCFPLGGVI NTETLTKVKP KTGQENGWEK DAXXFSDKNE DATA SEQUENCE IRVGNNFAME INLNANLWRN FLYSNIALYL PDKLKYSPSN VKISDNPNTY DATA SEQUENCE DYMNKRVVAP GLVDCYINLG ARWSLDYMDN VNPFNHHRNA GLRYRSMLLG DATA SEQUENCE NGRYVPFHIQ VPQKFFAIKN LLLLPGSYTY EWNFRKDVNM VLQSSLGNDL DATA SEQUENCE RVDGASIKFD SICLYATFFP MAHNTASTLE AMLRNDTNDQ SFNDYLSAAN DATA SEQUENCE MLYPIPANAT NVPISIPSRN WAAFRGWAFT RLKTKETPSL GSGYDPYYTY DATA SEQUENCE SGSIPYLDGT FYLNHTFKKV AITFDSSVSW PGNDRLLTPN EFEIKRSVDG DATA SEQUENCE EGYNVAQCNM TKDWFLVQML ANYNIGYQGF YIPESYKDRM YSFFRNFQPM DATA SEQUENCE SRQVVDDTKY KDYQQVGILH QHNNSGFVGY LAPTMREGQA YPANFPYPLI DATA SEQUENCE GKTAVDSITQ KKFLCDRTLW RIPFSSNFMS MGALTDLGQN LLYANSAHAL DATA SEQUENCE DMTFEVDPMD EPTLLYVLFE VFDVVRVHRP HRGVIETVYL RTPFSAGNAT DATA SEQUENCE T 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 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.561 177.584 -0.039 0.000 1.274 2 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 2 A CB 0.000 19.002 19.000 0.004 0.000 0.831 3 T N -2.601 111.922 114.554 -0.053 0.000 0.541 3 T HA 0.029 4.380 4.350 -0.000 0.000 0.774 3 T C -1.861 172.757 174.700 -0.136 0.000 0.992 3 T CA 0.511 62.559 62.100 -0.088 0.000 4.077 3 T CB -2.246 66.579 68.868 -0.071 0.000 2.303 3 T HN 1.439 nan 8.240 nan 0.000 0.398 4 P HA 0.526 nan 4.420 nan 0.000 0.329 4 P C 0.937 178.135 177.300 -0.170 0.000 1.319 4 P CA -0.052 62.956 63.100 -0.153 0.000 0.742 4 P CB 0.263 31.870 31.700 -0.155 0.000 1.564 5 S N -1.770 113.842 115.700 -0.147 0.000 2.535 5 S HA 0.153 4.623 4.470 -0.000 0.000 0.214 5 S C 1.533 176.025 174.600 -0.180 0.000 0.980 5 S CA 0.003 58.125 58.200 -0.131 0.000 0.907 5 S CB -0.561 62.593 63.200 -0.077 0.000 0.790 5 S HN 0.257 nan 8.310 nan 0.000 0.510 6 M N 1.596 121.059 119.600 -0.229 0.000 2.700 6 M HA 0.100 4.580 4.480 -0.000 0.000 0.249 6 M C 0.453 176.493 176.300 -0.432 0.000 1.082 6 M CA 0.898 56.043 55.300 -0.258 0.000 1.077 6 M CB -0.719 31.735 32.600 -0.244 0.000 1.477 6 M HN 0.415 nan 8.290 nan 0.000 0.529 7 M N -1.939 117.337 119.600 -0.539 0.000 2.400 7 M HA 0.350 4.830 4.480 -0.000 0.000 0.241 7 M C -2.640 173.435 176.300 -0.375 0.000 1.158 7 M CA -1.448 53.286 55.300 -0.942 0.000 0.613 7 M CB 0.888 32.427 32.600 -1.770 0.000 1.615 7 M HN -0.278 nan 8.290 nan 0.000 0.371 8 P HA 0.018 nan 4.420 nan 0.000 0.224 8 P C 0.489 177.673 177.300 -0.193 0.000 1.157 8 P CA 1.266 64.317 63.100 -0.081 0.000 0.799 8 P CB 0.204 31.893 31.700 -0.019 0.000 0.809 9 Q N -2.263 117.337 119.800 -0.334 0.000 2.212 9 Q HA 0.091 4.431 4.340 -0.000 0.000 0.213 9 Q C 0.501 176.069 176.000 -0.719 0.000 0.874 9 Q CA 0.220 55.249 55.803 -1.290 0.000 0.965 9 Q CB -0.201 28.111 28.738 -0.711 0.000 1.074 9 Q HN 0.290 nan 8.270 nan 0.000 0.473 10 W N -0.662 120.302 121.300 -0.560 0.000 3.539 10 W HA 0.134 4.794 4.660 -0.000 0.000 0.233 10 W C 2.054 178.461 176.519 -0.186 0.000 0.900 10 W CA 0.339 57.507 57.345 -0.295 0.000 2.360 10 W CB -0.951 28.398 29.460 -0.184 0.000 1.171 10 W HN -0.039 nan 8.180 nan 0.000 0.627 11 S N 0.694 116.490 115.700 0.160 0.000 2.462 11 S HA -0.271 4.199 4.470 -0.000 0.000 0.243 11 S C 1.469 176.126 174.600 0.096 0.000 1.003 11 S CA 1.710 59.964 58.200 0.089 0.000 0.970 11 S CB -1.287 61.941 63.200 0.047 0.000 0.762 11 S HN 0.579 nan 8.310 nan 0.000 0.510 12 Y N -1.317 118.974 120.300 -0.015 0.000 2.478 12 Y HA 0.426 4.976 4.550 -0.000 0.000 0.261 12 Y C 1.427 177.137 175.900 -0.315 0.000 1.127 12 Y CA -0.509 57.536 58.100 -0.092 0.000 1.288 12 Y CB 0.034 38.475 38.460 -0.031 0.000 1.084 12 Y HN 0.122 nan 8.280 nan 0.000 0.530 13 M N 3.064 122.720 119.600 0.094 0.000 2.571 13 M HA 0.072 4.552 4.480 -0.000 0.000 0.235 13 M C 0.745 176.849 176.300 -0.327 0.000 1.216 13 M CA -0.279 54.909 55.300 -0.187 0.000 0.979 13 M CB -1.996 30.513 32.600 -0.152 0.000 1.616 13 M HN 0.520 nan 8.290 nan 0.000 0.469 14 H N -1.476 117.650 119.070 0.094 0.000 3.232 14 H HA -0.263 4.293 4.556 -0.000 0.000 0.304 14 H C 1.148 176.503 175.328 0.044 0.000 0.978 14 H CA 1.648 57.664 56.048 -0.052 0.000 1.218 14 H CB -2.331 27.298 29.762 -0.222 0.000 1.356 14 H HN 0.596 nan 8.280 nan 0.000 0.329 15 I N -0.249 120.416 120.570 0.159 0.000 2.333 15 I HA -0.018 4.152 4.170 -0.000 0.000 0.246 15 I C 1.635 177.819 176.117 0.111 0.000 1.106 15 I CA 1.242 62.633 61.300 0.152 0.000 1.411 15 I CB 0.032 38.066 38.000 0.057 0.000 1.082 15 I HN 0.205 nan 8.210 nan 0.000 0.420 16 S N 0.680 116.437 115.700 0.096 0.000 2.912 16 S HA 0.754 5.224 4.470 -0.000 0.000 0.184 16 S C 0.004 174.652 174.600 0.080 0.000 1.390 16 S CA -0.037 58.226 58.200 0.106 0.000 1.088 16 S CB -0.298 63.006 63.200 0.173 0.000 1.284 16 S HN 0.694 nan 8.310 nan 0.000 0.502 17 G N 1.950 110.787 108.800 0.062 0.000 2.947 17 G HA2 0.221 4.181 3.960 -0.000 0.000 0.115 17 G HA3 0.221 4.181 3.960 -0.000 0.000 0.115 17 G C -0.259 174.657 174.900 0.026 0.000 1.214 17 G CA -0.326 44.792 45.100 0.031 0.000 1.324 17 G HN 0.476 nan 8.290 nan 0.000 0.645 18 Q N -0.853 118.939 119.800 -0.013 0.000 2.483 18 Q HA 0.308 4.648 4.340 -0.000 0.000 0.527 18 Q C 0.676 176.722 176.000 0.076 0.000 1.124 18 Q CA 1.739 57.556 55.803 0.023 0.000 1.021 18 Q CB 0.033 28.772 28.738 0.002 0.000 2.953 18 Q HN 0.492 nan 8.270 nan 0.000 0.488 19 D N -3.585 116.907 120.400 0.153 0.000 3.000 19 D HA 0.442 5.082 4.640 -0.000 0.000 0.190 19 D C -0.456 175.950 176.300 0.176 0.000 1.503 19 D CA 0.752 54.829 54.000 0.128 0.000 1.496 19 D CB 0.648 41.495 40.800 0.077 0.000 1.163 19 D HN 0.425 nan 8.370 nan 0.000 0.231 20 A N -1.117 121.772 122.820 0.115 0.000 3.416 20 A HA 0.068 4.388 4.320 -0.000 0.000 0.198 20 A C 0.651 178.049 177.584 -0.310 0.000 1.377 20 A CA 0.455 52.339 52.037 -0.255 0.000 1.281 20 A CB -0.601 18.199 19.000 -0.334 0.000 0.987 20 A HN 0.072 nan 8.150 nan 0.000 0.424 21 S N 1.262 116.880 115.700 -0.136 0.000 3.237 21 S HA 0.248 4.718 4.470 -0.000 0.000 0.255 21 S C 0.665 175.226 174.600 -0.065 0.000 1.127 21 S CA 1.390 59.532 58.200 -0.097 0.000 1.254 21 S CB -0.385 62.789 63.200 -0.043 0.000 1.022 21 S HN 0.615 nan 8.310 nan 0.000 0.477 22 E N -0.707 119.437 120.200 -0.094 0.000 3.575 22 E HA 0.083 4.433 4.350 -0.000 0.000 0.263 22 E C 0.875 177.471 176.600 -0.007 0.000 1.230 22 E CA -0.104 56.296 56.400 -0.001 0.000 1.875 22 E CB -0.121 29.640 29.700 0.102 0.000 1.961 22 E HN 0.598 nan 8.360 nan 0.000 0.904 23 Y N 0.495 120.773 120.300 -0.037 0.000 2.466 23 Y HA 0.527 5.077 4.550 -0.000 0.000 0.272 23 Y C 0.149 176.013 175.900 -0.060 0.000 1.169 23 Y CA -0.402 57.679 58.100 -0.031 0.000 1.285 23 Y CB 0.485 38.938 38.460 -0.011 0.000 1.078 23 Y HN -0.073 nan 8.280 nan 0.000 0.523 24 L N 1.152 121.842 121.223 -0.888 0.000 2.356 24 L HA 0.406 4.746 4.340 -0.000 0.000 0.277 24 L C 0.608 177.276 176.870 -0.336 0.000 0.996 24 L CA -0.974 53.477 54.840 -0.648 0.000 0.822 24 L CB 1.733 43.272 42.059 -0.866 0.000 1.256 24 L HN 0.174 nan 8.230 nan 0.000 0.413 25 S N 4.460 120.043 115.700 -0.195 0.000 3.243 25 S HA -0.084 4.386 4.470 -0.000 0.000 0.333 25 S C -1.712 172.828 174.600 -0.099 0.000 0.913 25 S CA 0.346 58.477 58.200 -0.115 0.000 1.310 25 S CB -0.532 62.607 63.200 -0.102 0.000 0.894 25 S HN 0.623 nan 8.310 nan 0.000 0.498 26 P HA 0.170 nan 4.420 nan 0.000 0.247 26 P C 1.294 178.584 177.300 -0.017 0.000 1.225 26 P CA 0.944 64.008 63.100 -0.060 0.000 0.768 26 P CB -0.370 31.302 31.700 -0.046 0.000 1.020 27 G N -0.787 108.010 108.800 -0.005 0.000 2.651 27 G HA2 0.005 3.965 3.960 -0.000 0.000 0.207 27 G HA3 0.005 3.965 3.960 -0.000 0.000 0.207 27 G C 0.763 175.714 174.900 0.085 0.000 1.131 27 G CA 0.045 45.162 45.100 0.029 0.000 0.816 27 G HN 0.187 nan 8.290 nan 0.000 0.534 28 L N 2.625 123.892 121.223 0.073 0.000 2.851 28 L HA 0.322 4.662 4.340 -0.000 0.000 0.237 28 L C 1.545 178.538 176.870 0.204 0.000 1.257 28 L CA 0.235 55.165 54.840 0.150 0.000 1.061 28 L CB 0.452 42.501 42.059 -0.017 0.000 1.372 28 L HN 0.048 nan 8.230 nan 0.000 0.493 29 V N -0.864 119.140 119.914 0.149 0.000 2.878 29 V HA -0.135 3.985 4.120 -0.000 0.000 0.250 29 V C 2.183 178.356 176.094 0.132 0.000 1.075 29 V CA 0.645 63.006 62.300 0.102 0.000 1.096 29 V CB -0.150 31.684 31.823 0.019 0.000 0.724 29 V HN 0.494 nan 8.190 nan 0.000 0.467 30 Q N 0.371 120.233 119.800 0.104 0.000 2.124 30 Q HA -0.256 4.084 4.340 -0.000 0.000 0.215 30 Q C 0.676 176.587 176.000 -0.149 0.000 1.015 30 Q CA 2.086 57.815 55.803 -0.124 0.000 0.890 30 Q CB -0.320 28.169 28.738 -0.415 0.000 0.966 30 Q HN 0.677 nan 8.270 nan 0.000 0.412 31 F N -1.035 118.930 119.950 0.025 0.000 2.669 31 F HA 0.333 4.860 4.527 -0.000 0.000 0.353 31 F C 0.678 176.498 175.800 0.032 0.000 1.192 31 F CA 0.054 58.086 58.000 0.054 0.000 1.317 31 F CB -0.359 38.703 39.000 0.104 0.000 1.652 31 F HN 0.010 nan 8.300 nan 0.000 0.608 32 A N 0.718 123.616 122.820 0.129 0.000 1.921 32 A HA 0.257 4.577 4.320 -0.000 0.000 0.202 32 A C 1.976 179.576 177.584 0.028 0.000 1.721 32 A CA -0.030 52.052 52.037 0.075 0.000 1.025 32 A CB 0.285 19.312 19.000 0.045 0.000 1.060 32 A HN 0.380 nan 8.150 nan 0.000 0.535 33 R N -0.224 120.278 120.500 0.003 0.000 2.142 33 R HA 0.475 4.815 4.340 -0.000 0.000 0.204 33 R C 2.075 178.356 176.300 -0.032 0.000 1.059 33 R CA 1.095 57.186 56.100 -0.015 0.000 1.055 33 R CB -0.131 30.159 30.300 -0.017 0.000 0.976 33 R HN 0.412 nan 8.270 nan 0.000 0.483 34 A N 0.806 123.602 122.820 -0.039 0.000 1.922 34 A HA -0.005 4.315 4.320 -0.000 0.000 0.216 34 A C 1.329 178.877 177.584 -0.060 0.000 1.370 34 A CA 1.124 53.130 52.037 -0.051 0.000 0.627 34 A CB -0.750 18.215 19.000 -0.058 0.000 1.060 34 A HN 0.300 nan 8.150 nan 0.000 0.487 35 T N -1.240 113.285 114.554 -0.048 0.000 4.309 35 T HA 0.432 4.782 4.350 -0.000 0.000 0.242 35 T C -0.509 174.212 174.700 0.034 0.000 1.142 35 T CA 0.000 62.104 62.100 0.006 0.000 1.042 35 T CB -0.034 68.851 68.868 0.028 0.000 1.366 35 T HN 0.162 nan 8.240 nan 0.000 0.942 36 E N 0.873 120.961 120.200 -0.187 0.000 2.934 36 E HA 0.223 4.573 4.350 -0.000 0.000 0.343 36 E C 0.068 176.425 176.600 -0.405 0.000 1.148 36 E CA -0.347 55.883 56.400 -0.285 0.000 0.803 36 E CB 0.602 30.306 29.700 0.006 0.000 1.541 36 E HN 0.523 nan 8.360 nan 0.000 0.380 37 T N -0.477 113.605 114.554 -0.787 0.000 3.010 37 T HA 0.055 4.405 4.350 -0.000 0.000 0.257 37 T C 0.638 175.174 174.700 -0.274 0.000 1.020 37 T CA 0.056 61.913 62.100 -0.406 0.000 0.938 37 T CB -0.055 68.643 68.868 -0.285 0.000 1.049 37 T HN 0.260 nan 8.240 nan 0.000 0.522 38 Y N 0.231 120.584 120.300 0.089 0.000 2.839 38 Y HA 0.743 5.293 4.550 -0.000 0.000 0.361 38 Y C -0.419 175.646 175.900 0.274 0.000 1.008 38 Y CA -3.450 54.716 58.100 0.109 0.000 1.534 38 Y CB -1.086 37.465 38.460 0.152 0.000 1.395 38 Y HN 0.072 nan 8.280 nan 0.000 0.534 39 F N -0.608 119.429 119.950 0.145 0.000 2.179 39 F HA -0.124 4.403 4.527 -0.000 0.000 0.505 39 F C 0.322 176.163 175.800 0.067 0.000 1.273 39 F CA -0.455 57.612 58.000 0.111 0.000 1.806 39 F CB -0.942 38.142 39.000 0.141 0.000 2.737 39 F HN 0.064 nan 8.300 nan 0.000 0.696 40 S N 2.259 118.040 115.700 0.135 0.000 3.864 40 S HA 0.295 4.765 4.470 -0.000 0.000 0.202 40 S C 0.680 175.345 174.600 0.109 0.000 1.402 40 S CA -0.317 57.935 58.200 0.087 0.000 1.072 40 S CB -0.431 62.781 63.200 0.021 0.000 1.383 40 S HN 0.380 nan 8.310 nan 0.000 0.458 41 L N 3.221 124.548 121.223 0.174 0.000 2.891 41 L HA -0.038 4.302 4.340 -0.000 0.000 0.290 41 L C 1.415 178.352 176.870 0.112 0.000 1.093 41 L CA -0.176 54.764 54.840 0.167 0.000 1.108 41 L CB -0.273 41.893 42.059 0.179 0.000 1.488 41 L HN 0.375 nan 8.230 nan 0.000 0.447 42 N N 2.013 120.774 118.700 0.101 0.000 2.187 42 N HA -0.024 4.716 4.740 -0.000 0.000 0.212 42 N C 0.672 176.251 175.510 0.115 0.000 1.152 42 N CA -0.000 53.105 53.050 0.092 0.000 0.872 42 N CB 0.282 38.809 38.487 0.067 0.000 1.025 42 N HN 0.643 nan 8.380 nan 0.000 0.514 43 N N -1.176 117.597 118.700 0.122 0.000 2.275 43 N HA 0.160 4.900 4.740 -0.000 0.000 0.236 43 N C 0.327 175.914 175.510 0.128 0.000 1.154 43 N CA -0.184 52.935 53.050 0.115 0.000 0.866 43 N CB 0.584 39.129 38.487 0.097 0.000 1.093 43 N HN -0.162 nan 8.380 nan 0.000 0.515 44 K N -0.295 120.204 120.400 0.165 0.000 2.506 44 K HA 0.359 4.679 4.320 -0.000 0.000 0.204 44 K C -1.222 175.551 176.600 0.289 0.000 1.045 44 K CA -0.285 56.105 56.287 0.172 0.000 1.074 44 K CB 0.002 32.597 32.500 0.158 0.000 0.842 44 K HN 0.268 nan 8.250 nan 0.000 0.514 45 F N -0.370 119.604 119.950 0.041 0.000 4.543 45 F HA 0.235 4.762 4.527 -0.000 0.000 0.306 45 F C -1.212 174.618 175.800 0.050 0.000 0.823 45 F CA -0.747 57.281 58.000 0.047 0.000 0.769 45 F CB 0.588 39.617 39.000 0.049 0.000 1.948 45 F HN -0.180 nan 8.300 nan 0.000 0.439 46 R N 2.068 122.925 120.500 0.594 0.000 2.884 46 R HA 0.154 4.494 4.340 -0.000 0.000 0.185 46 R C -1.976 174.526 176.300 0.337 0.000 1.467 46 R CA -0.388 55.910 56.100 0.329 0.000 0.984 46 R CB -0.677 29.747 30.300 0.206 0.000 1.503 46 R HN 0.564 nan 8.270 nan 0.000 0.553 47 N N 3.429 122.245 118.700 0.193 0.000 2.102 47 N HA -0.056 4.684 4.740 -0.000 0.000 0.279 47 N C -2.339 173.243 175.510 0.120 0.000 1.369 47 N CA 0.029 53.128 53.050 0.082 0.000 1.045 47 N CB -0.197 38.311 38.487 0.035 0.000 1.470 47 N HN 0.376 nan 8.380 nan 0.000 0.481 48 P HA -0.155 nan 4.420 nan 0.000 0.258 48 P C -0.156 177.204 177.300 0.100 0.000 1.128 48 P CA 0.953 64.142 63.100 0.147 0.000 0.760 48 P CB 0.187 31.981 31.700 0.156 0.000 0.715 49 T N 0.768 115.377 114.554 0.091 0.000 2.858 49 T HA 0.858 5.208 4.350 -0.000 0.000 0.285 49 T C -0.005 174.736 174.700 0.070 0.000 1.052 49 T CA -0.720 61.423 62.100 0.073 0.000 1.009 49 T CB 1.563 70.471 68.868 0.065 0.000 1.241 49 T HN 0.322 nan 8.240 nan 0.000 0.542 50 V N -3.270 116.681 119.914 0.063 0.000 3.312 50 V HA 0.876 4.996 4.120 -0.000 0.000 0.281 50 V C -1.589 174.541 176.094 0.060 0.000 1.716 50 V CA -1.456 60.882 62.300 0.063 0.000 1.040 50 V CB 0.993 32.855 31.823 0.066 0.000 1.214 50 V HN 1.501 nan 8.190 nan 0.000 0.479 51 A N 1.103 123.960 122.820 0.061 0.000 2.414 51 A HA 1.044 5.364 4.320 -0.000 0.000 0.306 51 A C -1.788 175.831 177.584 0.057 0.000 1.054 51 A CA -1.001 51.074 52.037 0.063 0.000 0.724 51 A CB 1.138 20.177 19.000 0.065 0.000 1.267 51 A HN 1.001 nan 8.150 nan 0.000 0.418 52 P HA 0.623 nan 4.420 nan 0.000 0.342 52 P C -0.162 177.166 177.300 0.047 0.000 1.384 52 P CA 0.243 63.373 63.100 0.050 0.000 0.837 52 P CB 0.447 32.216 31.700 0.115 0.000 2.025 53 T N -2.554 112.037 114.554 0.062 0.000 4.725 53 T HA 0.146 4.496 4.350 -0.000 0.000 0.325 53 T C -0.337 174.437 174.700 0.125 0.000 0.880 53 T CA -0.510 61.624 62.100 0.057 0.000 0.781 53 T CB -1.403 67.469 68.868 0.007 0.000 0.929 53 T HN 0.897 nan 8.240 nan 0.000 0.447 54 H N -1.404 117.659 119.070 -0.013 0.000 2.930 54 H HA 0.713 5.269 4.556 -0.000 0.000 0.371 54 H C -0.288 175.026 175.328 -0.023 0.000 1.169 54 H CA -0.851 55.185 56.048 -0.019 0.000 1.157 54 H CB 1.525 31.277 29.762 -0.016 0.000 1.789 54 H HN -0.118 nan 8.280 nan 0.000 0.547 55 D N 0.084 120.435 120.400 -0.082 0.000 3.737 55 D HA -0.315 4.325 4.640 -0.000 0.000 0.202 55 D C 1.510 177.735 176.300 -0.127 0.000 1.425 55 D CA 2.854 56.754 54.000 -0.167 0.000 2.310 55 D CB -1.108 39.491 40.800 -0.334 0.000 1.268 55 D HN 0.441 nan 8.370 nan 0.000 0.410 56 V N -0.765 119.085 119.914 -0.108 0.000 2.154 56 V HA -0.122 3.998 4.120 -0.000 0.000 0.140 56 V C 2.171 178.196 176.094 -0.115 0.000 0.782 56 V CA 2.237 64.484 62.300 -0.088 0.000 1.259 56 V CB -1.645 30.151 31.823 -0.044 0.000 0.757 56 V HN 0.458 nan 8.190 nan 0.000 0.439 57 T N 1.072 115.553 114.554 -0.122 0.000 3.795 57 T HA -0.004 4.346 4.350 -0.000 0.000 0.185 57 T C 0.790 175.392 174.700 -0.164 0.000 1.425 57 T CA 2.018 64.006 62.100 -0.187 0.000 1.534 57 T CB -1.070 67.668 68.868 -0.217 0.000 0.929 57 T HN 1.158 nan 8.240 nan 0.000 0.330 58 T N -2.188 112.289 114.554 -0.129 0.000 2.551 58 T HA 0.611 4.961 4.350 -0.000 0.000 0.249 58 T C -0.500 174.168 174.700 -0.054 0.000 0.851 58 T CA 0.141 62.182 62.100 -0.099 0.000 1.149 58 T CB 1.703 70.514 68.868 -0.096 0.000 1.456 58 T HN 0.556 nan 8.240 nan 0.000 0.514 59 D N -1.597 118.779 120.400 -0.039 0.000 4.105 59 D HA 0.046 4.686 4.640 -0.000 0.000 0.275 59 D C 0.300 176.590 176.300 -0.016 0.000 0.570 59 D CA 0.050 54.039 54.000 -0.019 0.000 0.729 59 D CB 0.115 40.909 40.800 -0.010 0.000 1.675 59 D HN 0.610 nan 8.370 nan 0.000 0.154 60 R N -0.194 120.293 120.500 -0.022 0.000 2.769 60 R HA 0.888 5.228 4.340 -0.000 0.000 0.117 60 R C -0.582 175.709 176.300 -0.014 0.000 1.152 60 R CA -0.509 55.583 56.100 -0.013 0.000 0.887 60 R CB -0.060 30.235 30.300 -0.008 0.000 1.099 60 R HN -0.118 nan 8.270 nan 0.000 0.398 61 S N 0.015 115.710 115.700 -0.009 0.000 2.446 61 S HA 0.237 4.707 4.470 -0.000 0.000 0.230 61 S C -1.243 173.352 174.600 -0.007 0.000 1.051 61 S CA -0.977 57.217 58.200 -0.011 0.000 1.113 61 S CB 0.932 64.126 63.200 -0.009 0.000 1.184 61 S HN 0.541 nan 8.310 nan 0.000 0.435 62 Q N 2.250 122.043 119.800 -0.012 0.000 2.448 62 Q HA 0.622 4.962 4.340 -0.000 0.000 0.192 62 Q C 0.175 176.150 176.000 -0.042 0.000 1.001 62 Q CA -1.056 54.742 55.803 -0.010 0.000 1.018 62 Q CB 1.097 29.840 28.738 0.010 0.000 1.290 62 Q HN 0.407 nan 8.270 nan 0.000 0.517 63 R N -0.625 119.829 120.500 -0.077 0.000 2.936 63 R HA 0.535 4.875 4.340 -0.000 0.000 0.218 63 R C 0.066 176.228 176.300 -0.230 0.000 1.528 63 R CA -0.453 55.566 56.100 -0.135 0.000 1.005 63 R CB 0.632 30.839 30.300 -0.154 0.000 2.099 63 R HN 0.738 nan 8.270 nan 0.000 0.527 64 L N -0.895 120.120 121.223 -0.346 0.000 2.952 64 L HA 0.295 4.635 4.340 -0.000 0.000 0.222 64 L C -0.149 176.172 176.870 -0.915 0.000 1.767 64 L CA -0.265 54.272 54.840 -0.504 0.000 2.501 64 L CB 0.740 42.712 42.059 -0.145 0.000 2.346 64 L HN 0.544 nan 8.230 nan 0.000 0.675 65 T N 2.793 117.174 114.554 -0.287 0.000 2.761 65 T HA 0.469 4.819 4.350 -0.000 0.000 0.296 65 T C -0.248 174.460 174.700 0.014 0.000 0.934 65 T CA -0.042 62.064 62.100 0.010 0.000 1.091 65 T CB 0.626 69.608 68.868 0.189 0.000 0.896 65 T HN 0.084 nan 8.240 nan 0.000 0.515 66 L N 3.310 124.611 121.223 0.129 0.000 2.317 66 L HA 0.507 4.847 4.340 -0.000 0.000 0.281 66 L C 0.623 177.544 176.870 0.085 0.000 1.024 66 L CA -0.767 54.101 54.840 0.046 0.000 0.810 66 L CB 1.454 43.560 42.059 0.080 0.000 1.240 66 L HN 0.407 nan 8.230 nan 0.000 0.427 67 R N 2.777 123.205 120.500 -0.120 0.000 2.297 67 R HA 0.576 4.916 4.340 -0.000 0.000 0.308 67 R C -1.359 174.672 176.300 -0.449 0.000 1.029 67 R CA -0.155 55.938 56.100 -0.012 0.000 0.929 67 R CB 0.764 31.118 30.300 0.089 0.000 1.046 67 R HN 0.414 nan 8.270 nan 0.000 0.461 68 F N 2.672 122.642 119.950 0.034 0.000 2.849 68 F HA 0.614 5.141 4.527 -0.000 0.000 0.341 68 F C 0.002 175.850 175.800 0.080 0.000 1.185 68 F CA -0.773 57.258 58.000 0.051 0.000 1.007 68 F CB 1.500 40.502 39.000 0.003 0.000 1.454 68 F HN 0.238 nan 8.300 nan 0.000 0.518 69 I N 0.909 121.768 120.570 0.481 0.000 2.984 69 I HA 0.247 4.417 4.170 -0.000 0.000 0.303 69 I C -2.071 174.258 176.117 0.355 0.000 1.381 69 I CA -2.021 59.452 61.300 0.289 0.000 0.988 69 I CB 2.782 40.874 38.000 0.154 0.000 1.307 69 I HN 0.261 nan 8.210 nan 0.000 0.460 70 P HA -0.045 nan 4.420 nan 0.000 0.217 70 P C 0.406 177.755 177.300 0.081 0.000 1.235 70 P CA 1.419 64.383 63.100 -0.227 0.000 0.726 70 P CB 0.490 32.064 31.700 -0.210 0.000 0.664 71 V N -5.668 114.281 119.914 0.059 0.000 3.558 71 V HA 0.152 4.272 4.120 -0.000 0.000 0.269 71 V C -0.624 175.518 176.094 0.081 0.000 1.841 71 V CA 0.108 62.467 62.300 0.098 0.000 1.083 71 V CB -0.677 31.217 31.823 0.117 0.000 0.967 71 V HN 0.130 nan 8.190 nan 0.000 0.324 72 D N 1.788 122.229 120.400 0.070 0.000 2.464 72 D HA 0.547 5.187 4.640 -0.000 0.000 0.243 72 D C 0.008 176.414 176.300 0.177 0.000 1.104 72 D CA -0.212 53.843 54.000 0.092 0.000 0.883 72 D CB 1.106 41.941 40.800 0.058 0.000 1.050 72 D HN 0.192 nan 8.370 nan 0.000 0.524 73 R N 2.272 122.890 120.500 0.195 0.000 2.891 73 R HA 0.132 4.472 4.340 -0.000 0.000 0.248 73 R C -0.099 176.352 176.300 0.251 0.000 1.439 73 R CA -0.100 56.167 56.100 0.278 0.000 1.288 73 R CB 0.309 30.685 30.300 0.127 0.000 1.212 73 R HN 0.317 nan 8.270 nan 0.000 0.605 74 E N 1.946 122.454 120.200 0.514 0.000 1.972 74 E HA -0.019 4.331 4.350 -0.000 0.000 0.292 74 E C -0.629 176.140 176.600 0.283 0.000 1.193 74 E CA -0.038 56.591 56.400 0.382 0.000 1.228 74 E CB 0.233 30.140 29.700 0.345 0.000 1.167 74 E HN 0.320 nan 8.360 nan 0.000 0.479 75 D N 2.325 122.715 120.400 -0.016 0.000 2.597 75 D HA -0.040 4.600 4.640 -0.000 0.000 0.228 75 D C 0.984 177.323 176.300 0.065 0.000 1.120 75 D CA 0.385 54.343 54.000 -0.068 0.000 1.083 75 D CB 0.607 41.354 40.800 -0.088 0.000 1.116 75 D HN 0.307 nan 8.370 nan 0.000 0.487 76 T N -0.654 113.991 114.554 0.152 0.000 2.896 76 T HA 0.337 4.687 4.350 -0.000 0.000 0.238 76 T C 0.787 175.582 174.700 0.158 0.000 1.045 76 T CA 1.313 63.500 62.100 0.145 0.000 1.248 76 T CB 0.490 69.448 68.868 0.150 0.000 0.955 76 T HN 0.315 nan 8.240 nan 0.000 0.416 77 A N -0.415 122.529 122.820 0.207 0.000 3.865 77 A HA 0.440 4.760 4.320 -0.000 0.000 0.150 77 A C 0.539 178.293 177.584 0.285 0.000 0.996 77 A CA 0.157 52.346 52.037 0.253 0.000 1.746 77 A CB -0.958 18.246 19.000 0.340 0.000 2.443 77 A HN 0.745 nan 8.150 nan 0.000 1.021 78 Y N 0.878 121.206 120.300 0.047 0.000 2.663 78 Y HA 0.492 5.042 4.550 -0.000 0.000 0.342 78 Y C 0.325 176.215 175.900 -0.016 0.000 1.224 78 Y CA 0.590 58.650 58.100 -0.066 0.000 1.268 78 Y CB -0.545 37.824 38.460 -0.152 0.000 1.070 78 Y HN 0.292 nan 8.280 nan 0.000 0.491 79 S N -0.714 115.005 115.700 0.031 0.000 2.930 79 S HA 0.412 4.882 4.470 -0.000 0.000 0.306 79 S C -1.848 172.907 174.600 0.259 0.000 1.238 79 S CA -0.547 57.680 58.200 0.045 0.000 1.000 79 S CB 1.466 64.552 63.200 -0.190 0.000 1.342 79 S HN 0.498 nan 8.310 nan 0.000 0.575 80 Y N 1.238 121.576 120.300 0.064 0.000 1.818 80 Y HA 0.242 4.792 4.550 -0.000 0.000 0.307 80 Y C -1.180 174.765 175.900 0.075 0.000 1.153 80 Y CA -0.594 57.571 58.100 0.108 0.000 1.857 80 Y CB -0.794 37.813 38.460 0.245 0.000 1.231 80 Y HN 0.504 nan 8.280 nan 0.000 0.377 81 K N 3.325 123.555 120.400 -0.283 0.000 2.952 81 K HA 0.938 5.258 4.320 -0.000 0.000 0.323 81 K C -0.543 175.806 176.600 -0.418 0.000 1.003 81 K CA -0.188 55.807 56.287 -0.486 0.000 1.156 81 K CB 0.543 32.813 32.500 -0.382 0.000 1.339 81 K HN 1.047 nan 8.250 nan 0.000 0.516 82 A N 0.420 123.090 122.820 -0.250 0.000 1.164 82 A HA 0.145 4.465 4.320 -0.000 0.000 0.207 82 A C -0.755 176.765 177.584 -0.106 0.000 0.935 82 A CA -0.975 50.986 52.037 -0.127 0.000 0.636 82 A CB -0.381 18.531 19.000 -0.146 0.000 0.522 82 A HN 0.603 nan 8.150 nan 0.000 0.322 83 R N 1.106 121.590 120.500 -0.027 0.000 3.157 83 R HA 0.519 4.859 4.340 -0.000 0.000 0.290 83 R C -0.373 176.021 176.300 0.156 0.000 1.050 83 R CA 0.299 56.441 56.100 0.070 0.000 1.189 83 R CB 0.225 30.575 30.300 0.084 0.000 1.179 83 R HN 0.727 nan 8.270 nan 0.000 0.536 84 F N -0.464 119.560 119.950 0.124 0.000 3.102 84 F HA 0.080 4.607 4.527 -0.000 0.000 0.359 84 F C -0.168 175.664 175.800 0.052 0.000 1.243 84 F CA -0.929 57.116 58.000 0.075 0.000 1.215 84 F CB 1.966 41.011 39.000 0.074 0.000 1.549 84 F HN 0.601 nan 8.300 nan 0.000 0.657 85 T N 3.342 117.998 114.554 0.169 0.000 2.533 85 T HA 0.250 4.600 4.350 -0.000 0.000 0.366 85 T C -0.749 173.919 174.700 -0.054 0.000 1.055 85 T CA 0.140 62.265 62.100 0.041 0.000 1.043 85 T CB 0.631 69.498 68.868 -0.001 0.000 1.044 85 T HN 0.379 nan 8.240 nan 0.000 0.535 86 L N -0.491 120.708 121.223 -0.041 0.000 2.765 86 L HA 0.589 4.929 4.340 -0.000 0.000 0.254 86 L C -1.576 175.322 176.870 0.047 0.000 0.939 86 L CA -0.069 54.755 54.840 -0.028 0.000 0.949 86 L CB 1.288 43.408 42.059 0.103 0.000 1.521 86 L HN 1.149 nan 8.230 nan 0.000 0.434 87 A N 2.485 125.339 122.820 0.057 0.000 2.601 87 A HA 0.618 4.938 4.320 -0.000 0.000 0.303 87 A C -1.976 175.655 177.584 0.078 0.000 1.004 87 A CA -0.459 51.628 52.037 0.083 0.000 0.742 87 A CB 0.819 19.823 19.000 0.007 0.000 1.250 87 A HN 0.593 nan 8.150 nan 0.000 0.406 88 V N 3.464 123.452 119.914 0.123 0.000 2.304 88 V HA 0.511 4.631 4.120 -0.000 0.000 0.269 88 V C 1.716 177.873 176.094 0.105 0.000 1.036 88 V CA 0.729 63.099 62.300 0.116 0.000 0.840 88 V CB -0.056 31.848 31.823 0.135 0.000 1.036 88 V HN 2.224 nan 8.190 nan 0.000 0.466 89 G N 4.676 113.543 108.800 0.110 0.000 3.389 89 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.322 89 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.322 89 G C 0.305 175.244 174.900 0.065 0.000 1.444 89 G CA 1.774 46.932 45.100 0.097 0.000 1.531 89 G HN 0.938 nan 8.290 nan 0.000 1.128 90 D N -2.630 117.813 120.400 0.072 0.000 2.790 90 D HA 0.168 4.808 4.640 -0.000 0.000 0.114 90 D C -0.091 176.243 176.300 0.057 0.000 0.865 90 D CA 0.432 54.458 54.000 0.043 0.000 1.599 90 D CB -0.819 39.983 40.800 0.004 0.000 3.268 90 D HN 0.348 nan 8.370 nan 0.000 0.840 91 N N 1.640 120.381 118.700 0.069 0.000 2.735 91 N HA -0.235 4.505 4.740 -0.000 0.000 0.248 91 N C -0.819 174.767 175.510 0.127 0.000 1.083 91 N CA 0.985 54.093 53.050 0.096 0.000 0.703 91 N CB -0.569 37.984 38.487 0.109 0.000 1.005 91 N HN 0.598 nan 8.380 nan 0.000 0.550 92 R N -0.235 120.340 120.500 0.125 0.000 2.538 92 R HA 0.654 4.994 4.340 -0.000 0.000 0.292 92 R C -0.241 176.155 176.300 0.160 0.000 1.008 92 R CA -0.617 55.581 56.100 0.163 0.000 0.896 92 R CB 1.952 32.367 30.300 0.192 0.000 1.187 92 R HN 0.048 nan 8.270 nan 0.000 0.440 93 V N 1.397 121.398 119.914 0.145 0.000 3.098 93 V HA 0.818 4.938 4.120 -0.000 0.000 0.310 93 V C -1.906 174.158 176.094 -0.050 0.000 1.515 93 V CA -0.739 61.591 62.300 0.050 0.000 1.020 93 V CB 1.906 33.757 31.823 0.045 0.000 1.053 93 V HN 0.773 nan 8.190 nan 0.000 0.476 94 L N -2.553 118.606 121.223 -0.106 0.000 2.999 94 L HA 0.714 5.054 4.340 -0.000 0.000 0.274 94 L C -0.316 176.505 176.870 -0.081 0.000 1.044 94 L CA -0.531 54.226 54.840 -0.139 0.000 0.943 94 L CB 1.142 42.976 42.059 -0.375 0.000 1.522 94 L HN 0.830 nan 8.230 nan 0.000 0.400 95 D N -0.425 119.934 120.400 -0.069 0.000 2.105 95 D HA 0.180 4.820 4.640 -0.000 0.000 0.277 95 D C 0.167 176.431 176.300 -0.059 0.000 1.144 95 D CA 0.471 54.445 54.000 -0.043 0.000 1.004 95 D CB 0.525 41.300 40.800 -0.042 0.000 1.150 95 D HN 0.624 nan 8.370 nan 0.000 0.494 96 M N -0.436 119.132 119.600 -0.055 0.000 2.902 96 M HA 0.195 4.675 4.480 -0.000 0.000 0.225 96 M C 1.561 177.809 176.300 -0.086 0.000 1.711 96 M CA 0.348 55.609 55.300 -0.063 0.000 1.213 96 M CB -1.558 31.013 32.600 -0.048 0.000 1.265 96 M HN 0.324 nan 8.290 nan 0.000 0.577 97 A N 0.971 123.741 122.820 -0.084 0.000 2.236 97 A HA 0.082 4.402 4.320 -0.000 0.000 0.200 97 A C 0.228 177.745 177.584 -0.112 0.000 1.360 97 A CA 0.936 52.911 52.037 -0.102 0.000 0.924 97 A CB -1.204 17.743 19.000 -0.088 0.000 0.735 97 A HN 0.394 nan 8.150 nan 0.000 0.531 98 S N 0.152 115.779 115.700 -0.121 0.000 2.293 98 S HA 0.420 4.890 4.470 -0.000 0.000 0.154 98 S C -0.340 174.173 174.600 -0.144 0.000 1.602 98 S CA 0.011 58.125 58.200 -0.143 0.000 1.260 98 S CB 0.662 63.786 63.200 -0.127 0.000 1.270 98 S HN 0.757 nan 8.310 nan 0.000 0.416 99 T N -0.401 114.059 114.554 -0.156 0.000 3.337 99 T HA 0.417 4.767 4.350 -0.000 0.000 0.321 99 T C -0.868 173.698 174.700 -0.223 0.000 0.852 99 T CA -0.612 61.404 62.100 -0.140 0.000 1.242 99 T CB -0.109 68.683 68.868 -0.127 0.000 0.979 99 T HN 0.590 nan 8.240 nan 0.000 0.508 100 Y N 2.449 122.567 120.300 -0.304 0.000 2.361 100 Y HA 0.649 5.199 4.550 -0.000 0.000 0.328 100 Y C -0.773 174.993 175.900 -0.223 0.000 1.044 100 Y CA -2.030 55.749 58.100 -0.535 0.000 1.085 100 Y CB 0.892 39.136 38.460 -0.361 0.000 1.194 100 Y HN 0.266 nan 8.280 nan 0.000 0.438 101 F N 2.343 122.399 119.950 0.175 0.000 1.907 101 F HA 0.112 4.639 4.527 -0.000 0.000 0.218 101 F C 0.437 176.395 175.800 0.264 0.000 0.976 101 F CA 0.742 58.791 58.000 0.082 0.000 1.207 101 F CB -0.283 38.631 39.000 -0.143 0.000 1.962 101 F HN 0.685 nan 8.300 nan 0.000 0.506 102 D N -1.427 119.159 120.400 0.310 0.000 3.281 102 D HA 0.170 4.810 4.640 -0.000 0.000 0.140 102 D C -1.317 175.049 176.300 0.111 0.000 1.015 102 D CA -0.179 53.954 54.000 0.222 0.000 1.829 102 D CB -0.690 40.435 40.800 0.540 0.000 0.864 102 D HN 0.258 nan 8.370 nan 0.000 0.843 103 I N 1.375 121.910 120.570 -0.058 0.000 2.948 103 I HA 0.292 4.462 4.170 -0.000 0.000 0.290 103 I C 1.042 176.941 176.117 -0.362 0.000 1.226 103 I CA 0.664 61.851 61.300 -0.189 0.000 1.413 103 I CB 0.463 38.343 38.000 -0.200 0.000 1.352 103 I HN 0.321 nan 8.210 nan 0.000 0.597 104 R N 1.357 121.625 120.500 -0.387 0.000 2.808 104 R HA 0.858 5.198 4.340 -0.000 0.000 0.272 104 R C -0.189 175.943 176.300 -0.280 0.000 0.995 104 R CA -0.160 55.684 56.100 -0.427 0.000 0.917 104 R CB 2.256 32.485 30.300 -0.119 0.000 1.217 104 R HN 0.908 nan 8.270 nan 0.000 0.471 105 G N -0.304 108.455 108.800 -0.068 0.000 2.455 105 G HA2 0.297 4.257 3.960 -0.000 0.000 0.223 105 G HA3 0.297 4.257 3.960 -0.000 0.000 0.223 105 G C -1.914 173.224 174.900 0.396 0.000 1.226 105 G CA -0.335 44.985 45.100 0.367 0.000 0.948 105 G HN 0.459 nan 8.290 nan 0.000 0.478 106 V N 0.519 120.645 119.914 0.354 0.000 2.808 106 V HA 0.683 4.803 4.120 -0.000 0.000 0.308 106 V C -0.460 175.633 176.094 -0.003 0.000 1.099 106 V CA -0.520 61.877 62.300 0.161 0.000 0.920 106 V CB 1.678 33.505 31.823 0.006 0.000 1.014 106 V HN 0.982 nan 8.190 nan 0.000 0.425 107 L N 2.995 124.199 121.223 -0.033 0.000 2.492 107 L HA 0.853 5.193 4.340 -0.000 0.000 0.263 107 L C -0.393 176.452 176.870 -0.041 0.000 1.062 107 L CA 0.219 54.954 54.840 -0.174 0.000 0.817 107 L CB 1.637 43.577 42.059 -0.198 0.000 1.441 107 L HN 0.800 nan 8.230 nan 0.000 0.493 108 D N 0.852 121.232 120.400 -0.032 0.000 3.491 108 D HA 0.054 4.694 4.640 -0.000 0.000 0.240 108 D C -0.508 175.771 176.300 -0.035 0.000 1.487 108 D CA -0.413 53.636 54.000 0.082 0.000 0.936 108 D CB 0.198 41.070 40.800 0.119 0.000 1.451 108 D HN 0.606 nan 8.370 nan 0.000 0.678 109 R N 0.375 120.825 120.500 -0.082 0.000 2.655 109 R HA 0.225 4.565 4.340 -0.000 0.000 0.266 109 R C 0.854 177.083 176.300 -0.119 0.000 0.981 109 R CA 0.991 57.005 56.100 -0.143 0.000 1.098 109 R CB 0.303 30.446 30.300 -0.262 0.000 0.928 109 R HN 0.307 nan 8.270 nan 0.000 0.425 110 G N 4.940 113.684 108.800 -0.093 0.000 2.192 110 G HA2 0.009 3.969 3.960 -0.000 0.000 0.258 110 G HA3 0.009 3.969 3.960 -0.000 0.000 0.258 110 G C -1.587 173.295 174.900 -0.031 0.000 1.185 110 G CA -1.048 44.029 45.100 -0.039 0.000 0.976 110 G HN 0.593 nan 8.290 nan 0.000 0.446 111 P HA -0.244 nan 4.420 nan 0.000 0.216 111 P C 1.567 178.868 177.300 0.002 0.000 1.062 111 P CA 2.134 65.208 63.100 -0.043 0.000 0.995 111 P CB -0.625 31.045 31.700 -0.049 0.000 0.762 112 T N -1.651 112.903 114.554 0.000 0.000 2.738 112 T HA 0.168 4.518 4.350 -0.000 0.000 0.277 112 T C -0.351 174.440 174.700 0.152 0.000 0.981 112 T CA -0.079 61.993 62.100 -0.045 0.000 1.211 112 T CB -1.017 67.769 68.868 -0.137 0.000 0.932 112 T HN -0.026 nan 8.240 nan 0.000 0.522 113 F N 1.874 121.756 119.950 -0.113 0.000 2.711 113 F HA 0.758 5.285 4.527 -0.000 0.000 0.313 113 F C -0.986 174.740 175.800 -0.124 0.000 1.141 113 F CA -1.698 56.255 58.000 -0.078 0.000 0.941 113 F CB 2.140 41.105 39.000 -0.059 0.000 1.349 113 F HN 0.760 nan 8.300 nan 0.000 0.464 114 K N 4.107 123.664 120.400 -1.405 0.000 2.487 114 K HA 0.209 4.529 4.320 -0.000 0.000 0.307 114 K C -2.792 173.006 176.600 -1.337 0.000 1.160 114 K CA -1.042 54.525 56.287 -1.201 0.000 1.087 114 K CB 2.062 34.147 32.500 -0.691 0.000 1.390 114 K HN 0.222 nan 8.250 nan 0.000 0.453 115 P HA -0.217 nan 4.420 nan 0.000 0.205 115 P C 0.588 177.860 177.300 -0.047 0.000 1.164 115 P CA 1.613 64.535 63.100 -0.297 0.000 0.938 115 P CB -0.031 31.759 31.700 0.151 0.000 0.777 116 Y N -1.768 118.512 120.300 -0.033 0.000 3.115 116 Y HA 0.530 5.080 4.550 -0.000 0.000 0.252 116 Y C 0.138 176.113 175.900 0.126 0.000 0.907 116 Y CA -0.369 57.811 58.100 0.134 0.000 1.261 116 Y CB -0.594 37.915 38.460 0.082 0.000 1.128 116 Y HN -0.203 nan 8.280 nan 0.000 0.541 117 S N -0.125 115.545 115.700 -0.050 0.000 2.680 117 S HA 0.668 5.138 4.470 -0.000 0.000 0.262 117 S C -0.225 174.429 174.600 0.089 0.000 1.138 117 S CA -0.340 57.870 58.200 0.016 0.000 1.072 117 S CB 0.944 64.382 63.200 0.398 0.000 1.097 117 S HN 1.459 nan 8.310 nan 0.000 0.468 118 G N 1.877 110.623 108.800 -0.089 0.000 2.061 118 G HA2 0.379 4.339 3.960 -0.000 0.000 0.059 118 G HA3 0.379 4.339 3.960 -0.000 0.000 0.059 118 G C -0.508 174.397 174.900 0.008 0.000 1.013 118 G CA 0.267 45.411 45.100 0.074 0.000 1.185 118 G HN 1.163 nan 8.290 nan 0.000 0.410 119 T N -1.183 113.459 114.554 0.146 0.000 2.632 119 T HA 0.684 5.034 4.350 -0.000 0.000 0.290 119 T C -0.897 173.870 174.700 0.111 0.000 1.899 119 T CA 0.548 62.644 62.100 -0.006 0.000 0.946 119 T CB 0.935 69.592 68.868 -0.351 0.000 2.024 119 T HN 2.205 nan 8.240 nan 0.000 0.471 120 A N 0.684 123.477 122.820 -0.046 0.000 2.816 120 A HA 0.513 4.833 4.320 -0.000 0.000 0.208 120 A C -1.433 176.043 177.584 -0.178 0.000 0.896 120 A CA -0.104 51.906 52.037 -0.044 0.000 1.183 120 A CB 0.011 18.970 19.000 -0.068 0.000 1.249 120 A HN 0.588 nan 8.150 nan 0.000 0.484 121 Y N 1.844 122.121 120.300 -0.038 0.000 2.919 121 Y HA 0.399 4.949 4.550 -0.000 0.000 0.341 121 Y C 0.186 176.154 175.900 0.114 0.000 1.045 121 Y CA -0.815 57.286 58.100 0.003 0.000 1.218 121 Y CB 0.091 38.513 38.460 -0.063 0.000 1.137 121 Y HN 0.549 nan 8.280 nan 0.000 0.577 122 N N 0.984 119.839 118.700 0.259 0.000 2.596 122 N HA -0.140 4.600 4.740 -0.000 0.000 0.274 122 N C 0.196 175.893 175.510 0.312 0.000 1.258 122 N CA 0.413 53.607 53.050 0.240 0.000 0.636 122 N CB -0.529 38.100 38.487 0.237 0.000 0.928 122 N HN 0.622 nan 8.380 nan 0.000 0.540 123 A N 1.940 124.879 122.820 0.197 0.000 1.843 123 A HA 0.022 4.342 4.320 -0.000 0.000 0.213 123 A C 1.937 179.518 177.584 -0.005 0.000 1.239 123 A CA 1.299 53.419 52.037 0.139 0.000 0.606 123 A CB -0.315 18.751 19.000 0.109 0.000 0.903 123 A HN 0.614 nan 8.150 nan 0.000 0.455 124 L N -1.232 119.994 121.223 0.006 0.000 2.737 124 L HA 0.488 4.828 4.340 -0.000 0.000 0.246 124 L C 0.749 177.607 176.870 -0.019 0.000 1.153 124 L CA 0.729 55.558 54.840 -0.018 0.000 0.920 124 L CB -0.566 41.491 42.059 -0.003 0.000 1.090 124 L HN 0.188 nan 8.230 nan 0.000 0.430 125 A N 0.816 123.627 122.820 -0.015 0.000 3.000 125 A HA 0.610 4.930 4.320 -0.000 0.000 0.315 125 A C -2.031 175.513 177.584 -0.066 0.000 1.434 125 A CA -1.450 50.587 52.037 -0.001 0.000 1.108 125 A CB -0.812 18.225 19.000 0.061 0.000 1.171 125 A HN 0.253 nan 8.150 nan 0.000 0.524 126 P HA -0.193 nan 4.420 nan 0.000 0.277 126 P C 0.632 177.846 177.300 -0.142 0.000 1.237 126 P CA 0.406 63.431 63.100 -0.125 0.000 0.819 126 P CB 0.701 32.368 31.700 -0.055 0.000 0.841 127 K N 0.377 120.692 120.400 -0.142 0.000 2.067 127 K HA 0.009 4.329 4.320 -0.000 0.000 0.203 127 K C 1.640 178.235 176.600 -0.008 0.000 1.048 127 K CA 1.484 57.723 56.287 -0.079 0.000 0.954 127 K CB -0.752 31.710 32.500 -0.063 0.000 0.737 127 K HN 0.610 nan 8.250 nan 0.000 0.444 128 G N 1.474 110.272 108.800 -0.004 0.000 3.316 128 G HA2 0.369 4.329 3.960 -0.000 0.000 0.255 128 G HA3 0.369 4.329 3.960 -0.000 0.000 0.255 128 G C -0.442 174.465 174.900 0.012 0.000 0.880 128 G CA -0.087 45.023 45.100 0.016 0.000 1.956 128 G HN 0.281 nan 8.290 nan 0.000 0.634 129 A N 1.936 124.764 122.820 0.013 0.000 2.839 129 A HA 0.690 5.010 4.320 -0.000 0.000 0.303 129 A C -2.851 174.749 177.584 0.026 0.000 1.181 129 A CA -0.939 51.107 52.037 0.016 0.000 0.808 129 A CB 2.019 21.023 19.000 0.007 0.000 1.391 129 A HN 0.313 nan 8.150 nan 0.000 0.433 130 P HA 0.663 nan 4.420 nan 0.000 0.289 130 P C -0.802 176.514 177.300 0.027 0.000 1.300 130 P CA -0.648 62.469 63.100 0.029 0.000 0.828 130 P CB 0.960 32.676 31.700 0.026 0.000 1.235 131 N N -1.409 117.308 118.700 0.028 0.000 2.292 131 N HA 0.521 5.261 4.740 -0.000 0.000 0.303 131 N C -2.637 172.895 175.510 0.037 0.000 1.140 131 N CA -1.680 51.385 53.050 0.026 0.000 0.788 131 N CB -0.806 37.694 38.487 0.022 0.000 1.361 131 N HN 0.219 nan 8.380 nan 0.000 0.489 132 P HA -0.013 nan 4.420 nan 0.000 0.260 132 P C -0.576 176.762 177.300 0.065 0.000 1.172 132 P CA 0.026 63.159 63.100 0.055 0.000 0.760 132 P CB 0.257 31.974 31.700 0.027 0.000 0.773 133 C N 2.616 121.978 119.300 0.103 0.000 3.704 133 C HA 0.596 5.056 4.460 -0.000 0.000 0.338 133 C C -0.920 174.146 174.990 0.127 0.000 3.585 133 C CA -0.296 58.781 59.018 0.099 0.000 1.633 133 C CB 1.216 29.017 27.740 0.101 0.000 4.025 133 C HN 0.635 nan 8.230 nan 0.000 0.531 134 E N -0.663 119.625 120.200 0.147 0.000 2.321 134 E HA 0.495 4.845 4.350 -0.000 0.000 0.278 134 E C -1.277 175.459 176.600 0.228 0.000 0.902 134 E CA -0.362 56.114 56.400 0.128 0.000 0.758 134 E CB 0.762 30.487 29.700 0.042 0.000 1.213 134 E HN 0.724 nan 8.360 nan 0.000 0.426 135 W N 0.315 121.577 121.300 -0.064 0.000 3.154 135 W HA 0.701 5.361 4.660 -0.000 0.000 0.454 135 W C 0.161 176.662 176.519 -0.029 0.000 1.488 135 W CA -0.734 56.552 57.345 -0.099 0.000 1.275 135 W CB -0.185 29.142 29.460 -0.221 0.000 2.277 135 W HN 0.325 nan 8.180 nan 0.000 0.683 167 H N 2.466 121.229 119.070 -0.511 0.000 2.767 167 H HA 0.643 5.199 4.556 -0.000 0.000 0.380 167 H C 0.415 175.190 175.328 -0.921 0.000 1.409 167 H CA -0.280 55.347 56.048 -0.700 0.000 1.463 167 H CB -0.328 29.007 29.762 -0.712 0.000 1.514 167 H HN 0.389 nan 8.280 nan 0.000 0.619 168 V N -3.188 116.403 119.914 -0.539 0.000 3.279 168 V HA 0.610 4.730 4.120 -0.000 0.000 0.296 168 V C -1.244 174.809 176.094 -0.068 0.000 1.470 168 V CA -1.122 60.937 62.300 -0.402 0.000 1.065 168 V CB 2.062 33.748 31.823 -0.227 0.000 1.124 168 V HN 0.941 nan 8.190 nan 0.000 0.461 169 F N -0.030 119.830 119.950 -0.151 0.000 2.636 169 F HA 0.689 5.216 4.527 -0.000 0.000 0.310 169 F C -0.544 175.254 175.800 -0.003 0.000 0.981 169 F CA 0.475 58.440 58.000 -0.059 0.000 1.080 169 F CB 0.828 39.839 39.000 0.018 0.000 1.351 169 F HN 1.551 nan 8.300 nan 0.000 0.602 170 G N 5.077 113.585 108.800 -0.486 0.000 2.442 170 G HA2 0.462 4.422 3.960 -0.000 0.000 0.296 170 G HA3 0.462 4.422 3.960 -0.000 0.000 0.296 170 G C -2.758 171.977 174.900 -0.275 0.000 1.564 170 G CA -0.768 44.068 45.100 -0.441 0.000 0.828 170 G HN 0.749 nan 8.290 nan 0.000 0.571 171 Q N 0.111 119.779 119.800 -0.219 0.000 2.248 171 Q HA 0.811 5.151 4.340 -0.000 0.000 0.263 171 Q C -0.639 175.338 176.000 -0.039 0.000 1.007 171 Q CA -0.462 55.277 55.803 -0.106 0.000 0.877 171 Q CB 2.120 30.798 28.738 -0.101 0.000 1.315 171 Q HN 1.261 nan 8.270 nan 0.000 0.454 172 A N 2.848 125.668 122.820 -0.001 0.000 2.485 172 A HA 0.791 5.111 4.320 -0.000 0.000 0.292 172 A C -2.366 175.244 177.584 0.045 0.000 1.147 172 A CA -1.116 50.938 52.037 0.028 0.000 0.750 172 A CB 1.190 20.218 19.000 0.046 0.000 1.331 172 A HN 0.714 nan 8.150 nan 0.000 0.419 173 P HA 0.109 nan 4.420 nan 0.000 0.258 173 P C 0.807 178.197 177.300 0.150 0.000 1.251 173 P CA 0.086 63.240 63.100 0.089 0.000 0.694 173 P CB -0.411 31.338 31.700 0.082 0.000 1.439 174 Y N -0.493 119.818 120.300 0.018 0.000 2.116 174 Y HA -0.052 4.498 4.550 -0.000 0.000 0.376 174 Y C 1.840 177.750 175.900 0.017 0.000 1.230 174 Y CA 0.282 58.392 58.100 0.016 0.000 1.679 174 Y CB 0.103 38.574 38.460 0.018 0.000 1.404 174 Y HN 0.154 nan 8.280 nan 0.000 0.755 175 S N -1.669 113.998 115.700 -0.055 0.000 4.286 175 S HA 0.683 5.153 4.470 -0.000 0.000 0.205 175 S C -0.892 173.471 174.600 -0.396 0.000 1.133 175 S CA 0.045 58.129 58.200 -0.193 0.000 1.710 175 S CB 1.167 64.320 63.200 -0.078 0.000 1.150 175 S HN 1.195 nan 8.310 nan 0.000 0.773 176 G N 0.824 109.436 108.800 -0.313 0.000 3.088 176 G HA2 0.045 4.005 3.960 -0.000 0.000 0.620 176 G HA3 0.045 4.005 3.960 -0.000 0.000 0.620 176 G C 0.281 175.172 174.900 -0.015 0.000 1.375 176 G CA -0.350 44.614 45.100 -0.227 0.000 1.016 176 G HN 0.579 nan 8.290 nan 0.000 0.590 177 I N 0.237 120.798 120.570 -0.014 0.000 2.247 177 I HA -0.286 3.884 4.170 -0.000 0.000 0.249 177 I C 1.227 177.219 176.117 -0.208 0.000 1.027 177 I CA 2.369 63.672 61.300 0.006 0.000 1.316 177 I CB 0.042 38.020 38.000 -0.038 0.000 1.007 177 I HN 0.671 nan 8.210 nan 0.000 0.430 178 N N 0.116 118.679 118.700 -0.228 0.000 2.452 178 N HA 0.303 5.043 4.740 -0.000 0.000 0.277 178 N C -1.174 174.215 175.510 -0.201 0.000 1.078 178 N CA -0.520 52.309 53.050 -0.369 0.000 0.947 178 N CB 1.962 40.267 38.487 -0.304 0.000 1.655 178 N HN 0.150 nan 8.380 nan 0.000 0.490 179 I N 0.469 120.928 120.570 -0.185 0.000 2.441 179 I HA 0.685 4.855 4.170 -0.000 0.000 0.295 179 I C -0.535 175.463 176.117 -0.197 0.000 0.994 179 I CA -0.147 61.079 61.300 -0.122 0.000 1.144 179 I CB 1.921 39.894 38.000 -0.045 0.000 1.314 179 I HN 0.532 nan 8.210 nan 0.000 0.445 180 T N 3.390 117.823 114.554 -0.200 0.000 2.646 180 T HA 0.291 4.641 4.350 -0.000 0.000 0.297 180 T C 0.582 175.147 174.700 -0.224 0.000 1.363 180 T CA -0.127 61.766 62.100 -0.345 0.000 1.056 180 T CB 1.193 69.901 68.868 -0.267 0.000 1.779 180 T HN 0.797 nan 8.240 nan 0.000 0.459 181 K N 0.740 121.025 120.400 -0.191 0.000 1.995 181 K HA 0.199 4.519 4.320 -0.000 0.000 0.207 181 K C 1.377 178.011 176.600 0.056 0.000 1.041 181 K CA 0.799 57.103 56.287 0.029 0.000 0.942 181 K CB -0.317 32.203 32.500 0.032 0.000 0.731 181 K HN 0.482 nan 8.250 nan 0.000 0.439 182 E N 1.143 121.353 120.200 0.017 0.000 2.413 182 E HA -0.070 4.280 4.350 -0.000 0.000 0.204 182 E C 0.312 176.995 176.600 0.140 0.000 1.275 182 E CA 0.213 56.637 56.400 0.040 0.000 1.090 182 E CB -0.471 29.200 29.700 -0.048 0.000 1.145 182 E HN 0.562 nan 8.360 nan 0.000 0.472 183 G N 0.480 109.389 108.800 0.181 0.000 2.134 183 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.225 183 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.225 183 G C -0.074 174.907 174.900 0.134 0.000 1.944 183 G CA -0.272 44.992 45.100 0.273 0.000 1.512 183 G HN 0.371 nan 8.290 nan 0.000 0.493 184 I N -0.675 119.960 120.570 0.108 0.000 1.999 184 I HA 0.157 4.327 4.170 -0.000 0.000 0.319 184 I C -1.609 174.520 176.117 0.020 0.000 2.694 184 I CA -0.686 60.631 61.300 0.029 0.000 0.958 184 I CB 1.376 39.389 38.000 0.021 0.000 2.060 184 I HN 0.453 nan 8.210 nan 0.000 0.670 185 Q N 5.543 125.323 119.800 -0.032 0.000 2.323 185 Q HA 0.416 4.756 4.340 -0.000 0.000 0.257 185 Q C -0.102 175.872 176.000 -0.043 0.000 1.022 185 Q CA 0.200 55.981 55.803 -0.038 0.000 0.919 185 Q CB 0.827 29.521 28.738 -0.074 0.000 1.220 185 Q HN 0.562 nan 8.270 nan 0.000 0.427 186 I N -0.382 120.177 120.570 -0.018 0.000 5.183 186 I HA 0.223 4.393 4.170 -0.000 0.000 0.343 186 I C 1.078 177.197 176.117 0.003 0.000 1.230 186 I CA -0.157 61.127 61.300 -0.028 0.000 1.473 186 I CB -0.793 37.190 38.000 -0.029 0.000 1.569 186 I HN 0.411 nan 8.210 nan 0.000 0.544 187 G N 2.205 111.019 108.800 0.024 0.000 2.597 187 G HA2 0.395 4.355 3.960 -0.000 0.000 0.283 187 G HA3 0.395 4.355 3.960 -0.000 0.000 0.283 187 G C 0.005 174.916 174.900 0.017 0.000 1.319 187 G CA 0.762 45.882 45.100 0.033 0.000 1.054 187 G HN 0.518 nan 8.290 nan 0.000 0.583 188 V N -2.405 117.520 119.914 0.018 0.000 3.166 188 V HA 0.691 4.811 4.120 -0.000 0.000 0.317 188 V C -0.095 176.001 176.094 0.004 0.000 1.136 188 V CA -1.003 61.303 62.300 0.011 0.000 1.035 188 V CB 1.744 33.577 31.823 0.015 0.000 1.110 188 V HN 0.864 nan 8.190 nan 0.000 0.450 189 E N 1.353 121.554 120.200 0.001 0.000 2.392 189 E HA 0.556 4.906 4.350 -0.000 0.000 0.264 189 E C 0.552 177.151 176.600 -0.002 0.000 1.024 189 E CA 0.402 56.800 56.400 -0.003 0.000 0.903 189 E CB 0.835 30.533 29.700 -0.003 0.000 0.963 189 E HN 1.345 nan 8.360 nan 0.000 0.432 190 G N 1.934 110.731 108.800 -0.005 0.000 1.732 190 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.054 190 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.054 190 G C 0.190 175.086 174.900 -0.007 0.000 0.951 190 G CA 0.207 45.304 45.100 -0.004 0.000 1.146 190 G HN 0.548 nan 8.290 nan 0.000 0.353 191 Q N -0.993 118.803 119.800 -0.005 0.000 2.445 191 Q HA 0.301 4.641 4.340 -0.000 0.000 0.257 191 Q C -0.284 175.709 176.000 -0.012 0.000 0.806 191 Q CA 0.926 56.724 55.803 -0.009 0.000 0.987 191 Q CB 1.644 30.378 28.738 -0.005 0.000 1.248 191 Q HN 0.426 nan 8.270 nan 0.000 0.542 192 T N 2.265 116.816 114.554 -0.005 0.000 3.008 192 T HA 0.346 4.696 4.350 -0.000 0.000 0.328 192 T C -2.478 172.226 174.700 0.008 0.000 1.020 192 T CA -0.994 61.103 62.100 -0.005 0.000 1.043 192 T CB 1.870 70.740 68.868 0.004 0.000 1.010 192 T HN -0.081 nan 8.240 nan 0.000 0.466 193 P HA 0.458 nan 4.420 nan 0.000 0.206 193 P C -0.056 177.273 177.300 0.049 0.000 1.093 193 P CA 0.211 63.320 63.100 0.015 0.000 0.703 193 P CB 0.313 32.012 31.700 -0.002 0.000 0.622 194 K N -4.571 115.875 120.400 0.076 0.000 3.073 194 K HA 0.300 4.620 4.320 -0.000 0.000 0.300 194 K C -1.256 175.519 176.600 0.291 0.000 1.082 194 K CA -0.478 55.924 56.287 0.191 0.000 0.803 194 K CB -0.053 32.529 32.500 0.136 0.000 1.488 194 K HN 0.443 nan 8.250 nan 0.000 0.372 195 Y N -0.970 119.332 120.300 0.005 0.000 2.922 195 Y HA 0.688 5.238 4.550 -0.000 0.000 0.294 195 Y C -0.149 175.773 175.900 0.037 0.000 0.979 195 Y CA -0.386 57.725 58.100 0.019 0.000 1.228 195 Y CB 0.567 39.044 38.460 0.028 0.000 1.425 195 Y HN 0.877 nan 8.280 nan 0.000 0.588 196 A N 1.298 123.966 122.820 -0.253 0.000 2.435 196 A HA -0.134 4.186 4.320 -0.000 0.000 0.686 196 A C -0.945 176.305 177.584 -0.556 0.000 0.138 196 A CA 0.718 52.556 52.037 -0.331 0.000 0.025 196 A CB -1.109 17.790 19.000 -0.168 0.000 3.974 196 A HN 0.575 nan 8.150 nan 0.000 0.548 197 D N 0.664 120.773 120.400 -0.485 0.000 2.388 197 D HA 0.522 5.162 4.640 -0.000 0.000 0.254 197 D C 1.555 177.597 176.300 -0.429 0.000 1.111 197 D CA 0.007 53.768 54.000 -0.398 0.000 0.993 197 D CB 1.053 41.776 40.800 -0.128 0.000 1.118 197 D HN 0.581 nan 8.370 nan 0.000 0.502 198 K N -0.881 119.347 120.400 -0.287 0.000 2.128 198 K HA 0.003 4.323 4.320 -0.000 0.000 0.202 198 K C 1.614 178.124 176.600 -0.149 0.000 1.050 198 K CA 0.617 56.699 56.287 -0.342 0.000 0.966 198 K CB -0.406 31.991 32.500 -0.172 0.000 0.759 198 K HN 0.191 nan 8.250 nan 0.000 0.454 199 T N 1.228 115.827 114.554 0.075 0.000 2.802 199 T HA -0.170 4.180 4.350 -0.000 0.000 0.269 199 T C 0.973 175.879 174.700 0.343 0.000 1.062 199 T CA 1.845 64.069 62.100 0.206 0.000 1.133 199 T CB -0.319 68.664 68.868 0.192 0.000 0.852 199 T HN 0.545 nan 8.240 nan 0.000 0.485 200 F N -1.762 118.103 119.950 -0.142 0.000 3.064 200 F HA 0.484 5.011 4.527 -0.000 0.000 0.384 200 F C -0.068 175.660 175.800 -0.121 0.000 1.083 200 F CA -1.285 56.646 58.000 -0.114 0.000 1.037 200 F CB -0.115 38.836 39.000 -0.081 0.000 1.322 200 F HN -0.046 nan 8.300 nan 0.000 0.535 201 Q N 2.769 122.196 119.800 -0.622 0.000 2.252 201 Q HA 0.404 4.744 4.340 -0.000 0.000 0.256 201 Q C -2.098 173.679 176.000 -0.371 0.000 1.020 201 Q CA -1.806 53.674 55.803 -0.538 0.000 0.913 201 Q CB 1.508 29.825 28.738 -0.702 0.000 1.286 201 Q HN -0.116 nan 8.270 nan 0.000 0.480 202 P HA 0.047 nan 4.420 nan 0.000 0.258 202 P C -0.939 176.302 177.300 -0.097 0.000 1.559 202 P CA 0.034 63.047 63.100 -0.145 0.000 0.855 202 P CB -0.102 31.587 31.700 -0.017 0.000 1.594 203 E N 0.825 120.951 120.200 -0.123 0.000 4.836 203 E HA -0.162 4.188 4.350 -0.000 0.000 0.320 203 E C -1.797 174.791 176.600 -0.020 0.000 1.595 203 E CA -0.054 56.312 56.400 -0.057 0.000 1.187 203 E CB -0.279 29.396 29.700 -0.042 0.000 0.811 203 E HN 0.271 nan 8.360 nan 0.000 0.336 204 P HA -0.053 nan 4.420 nan 0.000 0.256 204 P C 0.620 177.924 177.300 0.007 0.000 1.335 204 P CA 0.399 63.503 63.100 0.006 0.000 0.808 204 P CB 0.327 32.032 31.700 0.008 0.000 1.305 205 Q N 0.000 119.802 119.800 0.003 0.000 2.123 205 Q HA -0.021 4.319 4.340 -0.000 0.000 0.199 205 Q C 1.009 177.007 176.000 -0.003 0.000 0.966 205 Q CA 0.795 56.601 55.803 0.004 0.000 0.845 205 Q CB -0.166 28.576 28.738 0.006 0.000 0.907 205 Q HN 0.348 nan 8.270 nan 0.000 0.439 206 I N -3.819 116.745 120.570 -0.010 0.000 2.793 206 I HA 0.633 4.803 4.170 -0.000 0.000 0.313 206 I C 0.593 176.684 176.117 -0.043 0.000 0.998 206 I CA -0.521 60.759 61.300 -0.034 0.000 1.140 206 I CB 1.825 39.795 38.000 -0.050 0.000 1.327 206 I HN -0.050 nan 8.210 nan 0.000 0.491 207 G N 1.438 110.172 108.800 -0.110 0.000 2.691 207 G HA2 0.383 4.343 3.960 -0.000 0.000 0.169 207 G HA3 0.383 4.343 3.960 -0.000 0.000 0.169 207 G C -0.197 174.456 174.900 -0.411 0.000 1.638 207 G CA 0.276 45.295 45.100 -0.136 0.000 0.822 207 G HN 0.583 nan 8.290 nan 0.000 0.768 208 E N -1.414 118.612 120.200 -0.289 0.000 2.378 208 E HA 0.509 4.859 4.350 -0.000 0.000 0.173 208 E C 0.329 176.842 176.600 -0.145 0.000 0.853 208 E CA 0.217 56.410 56.400 -0.346 0.000 0.866 208 E CB 0.917 30.500 29.700 -0.195 0.000 2.077 208 E HN 0.183 nan 8.360 nan 0.000 0.408 209 S N -1.075 114.582 115.700 -0.071 0.000 2.649 209 S HA 0.227 4.697 4.470 -0.000 0.000 0.246 209 S C -0.164 174.473 174.600 0.062 0.000 1.057 209 S CA -0.102 58.108 58.200 0.017 0.000 1.051 209 S CB 0.286 63.488 63.200 0.003 0.000 1.018 209 S HN 0.263 nan 8.310 nan 0.000 0.569 210 Q N 0.578 120.364 119.800 -0.023 0.000 2.260 210 Q HA 0.307 4.647 4.340 -0.000 0.000 0.242 210 Q C 0.399 176.418 176.000 0.031 0.000 0.932 210 Q CA -0.419 55.291 55.803 -0.154 0.000 0.891 210 Q CB 0.671 29.328 28.738 -0.135 0.000 1.222 210 Q HN 0.617 nan 8.270 nan 0.000 0.453 211 W N 1.449 122.835 121.300 0.143 0.000 2.952 211 W HA 0.103 4.763 4.660 -0.000 0.000 0.251 211 W C 0.819 177.455 176.519 0.194 0.000 1.144 211 W CA -0.098 57.319 57.345 0.119 0.000 1.551 211 W CB -0.354 29.146 29.460 0.067 0.000 0.978 211 W HN 0.673 nan 8.180 nan 0.000 0.648 212 Y N 2.596 122.930 120.300 0.058 0.000 2.613 212 Y HA 0.618 5.168 4.550 -0.000 0.000 0.359 212 Y C -0.123 175.750 175.900 -0.045 0.000 1.289 212 Y CA -1.118 57.006 58.100 0.040 0.000 1.460 212 Y CB 0.231 38.740 38.460 0.081 0.000 1.622 212 Y HN -0.120 nan 8.280 nan 0.000 0.631 213 E N -0.633 119.345 120.200 -0.370 0.000 2.266 213 E HA 0.400 4.750 4.350 -0.000 0.000 0.268 213 E C -1.052 175.203 176.600 -0.574 0.000 0.879 213 E CA -0.871 55.276 56.400 -0.421 0.000 0.762 213 E CB 2.217 31.820 29.700 -0.163 0.000 1.199 213 E HN 0.722 nan 8.360 nan 0.000 0.422 214 T N 2.665 116.957 114.554 -0.437 0.000 3.407 214 T HA 0.172 4.521 4.350 -0.000 0.000 0.308 214 T C -1.166 173.414 174.700 -0.199 0.000 0.919 214 T CA 0.344 62.249 62.100 -0.325 0.000 0.960 214 T CB -0.304 68.340 68.868 -0.374 0.000 1.193 214 T HN 0.685 nan 8.240 nan 0.000 0.568 215 E N 0.937 121.032 120.200 -0.176 0.000 7.040 215 E HA -0.092 4.258 4.350 -0.000 0.000 0.446 215 E C -1.581 174.943 176.600 -0.127 0.000 0.656 215 E CA 0.099 56.423 56.400 -0.125 0.000 2.103 215 E CB -0.625 29.012 29.700 -0.105 0.000 0.882 215 E HN 0.511 nan 8.360 nan 0.000 0.262 216 I N 4.663 125.169 120.570 -0.107 0.000 2.517 216 I HA 0.386 4.556 4.170 -0.000 0.000 0.280 216 I C 0.824 176.864 176.117 -0.129 0.000 1.061 216 I CA -0.689 60.540 61.300 -0.118 0.000 1.091 216 I CB 0.642 38.595 38.000 -0.078 0.000 1.205 216 I HN 0.554 nan 8.210 nan 0.000 0.459 217 N N 5.085 123.654 118.700 -0.217 0.000 2.008 217 N HA -0.133 4.607 4.740 -0.000 0.000 0.182 217 N C -0.251 175.156 175.510 -0.171 0.000 1.111 217 N CA 1.098 54.000 53.050 -0.246 0.000 0.923 217 N CB -0.711 37.503 38.487 -0.455 0.000 1.032 217 N HN 0.723 nan 8.380 nan 0.000 0.435 218 H N 0.169 119.224 119.070 -0.026 0.000 2.897 218 H HA 0.511 5.067 4.556 -0.000 0.000 0.347 218 H C -0.070 175.243 175.328 -0.025 0.000 1.068 218 H CA -0.485 55.545 56.048 -0.030 0.000 1.426 218 H CB 0.531 30.262 29.762 -0.052 0.000 1.410 218 H HN 0.539 nan 8.280 nan 0.000 0.597 219 A N 1.362 124.237 122.820 0.090 0.000 2.507 219 A HA 0.930 5.250 4.320 -0.000 0.000 0.284 219 A C -0.706 176.904 177.584 0.043 0.000 1.281 219 A CA -0.162 51.906 52.037 0.051 0.000 0.744 219 A CB 1.326 20.359 19.000 0.055 0.000 1.332 219 A HN 0.970 nan 8.150 nan 0.000 0.454 220 A N -2.450 120.398 122.820 0.046 0.000 3.865 220 A HA 1.012 5.332 4.320 -0.000 0.000 0.284 220 A C 0.398 178.022 177.584 0.067 0.000 1.105 220 A CA 0.281 52.346 52.037 0.046 0.000 0.605 220 A CB 0.100 19.121 19.000 0.036 0.000 1.594 220 A HN 2.865 nan 8.150 nan 0.000 0.741 221 G N -1.250 107.603 108.800 0.087 0.000 2.280 221 G HA2 0.463 4.423 3.960 -0.000 0.000 0.277 221 G HA3 0.463 4.423 3.960 -0.000 0.000 0.277 221 G C -0.843 174.124 174.900 0.111 0.000 1.288 221 G CA 0.033 45.189 45.100 0.092 0.000 1.075 221 G HN 1.025 nan 8.290 nan 0.000 0.480 222 R N -2.000 118.552 120.500 0.086 0.000 2.734 222 R HA 0.820 5.160 4.340 -0.000 0.000 0.271 222 R C -1.251 175.084 176.300 0.058 0.000 1.021 222 R CA -0.193 55.962 56.100 0.092 0.000 0.893 222 R CB 2.276 32.623 30.300 0.078 0.000 1.244 222 R HN 1.259 nan 8.270 nan 0.000 0.464 223 V N 0.974 120.922 119.914 0.057 0.000 3.276 223 V HA 0.452 4.572 4.120 -0.000 0.000 0.288 223 V C -1.819 174.297 176.094 0.037 0.000 1.727 223 V CA -0.805 61.518 62.300 0.038 0.000 1.022 223 V CB 2.482 34.324 31.823 0.032 0.000 1.162 223 V HN 0.493 nan 8.190 nan 0.000 0.483 224 L N 1.452 122.694 121.223 0.030 0.000 2.350 224 L HA 0.649 4.989 4.340 -0.000 0.000 0.260 224 L C -0.765 176.121 176.870 0.028 0.000 1.015 224 L CA -0.734 54.123 54.840 0.027 0.000 0.821 224 L CB 2.484 44.555 42.059 0.022 0.000 1.370 224 L HN 0.741 nan 8.230 nan 0.000 0.416 225 K N 1.205 121.619 120.400 0.024 0.000 2.090 225 K HA 0.217 4.537 4.320 -0.000 0.000 0.250 225 K C -0.107 176.510 176.600 0.027 0.000 1.004 225 K CA -0.609 55.693 56.287 0.024 0.000 0.919 225 K CB 1.183 33.694 32.500 0.019 0.000 1.045 225 K HN 0.467 nan 8.250 nan 0.000 0.471 226 K N -0.391 120.028 120.400 0.031 0.000 2.493 226 K HA 0.027 4.347 4.320 -0.000 0.000 0.207 226 K C 0.711 177.327 176.600 0.027 0.000 1.033 226 K CA 0.104 56.412 56.287 0.035 0.000 1.161 226 K CB 0.312 32.842 32.500 0.050 0.000 0.873 226 K HN 0.442 nan 8.250 nan 0.000 0.491 227 T N 0.158 114.725 114.554 0.021 0.000 3.227 227 T HA 0.042 4.392 4.350 -0.000 0.000 0.257 227 T C -0.436 174.272 174.700 0.014 0.000 1.162 227 T CA 0.543 62.653 62.100 0.017 0.000 1.051 227 T CB -0.166 68.711 68.868 0.014 0.000 0.953 227 T HN 0.312 nan 8.240 nan 0.000 0.535 228 T N 2.449 117.011 114.554 0.014 0.000 3.105 228 T HA 0.441 4.791 4.350 -0.000 0.000 0.321 228 T C -2.668 172.039 174.700 0.012 0.000 1.135 228 T CA -0.863 61.242 62.100 0.009 0.000 1.053 228 T CB 1.937 70.808 68.868 0.005 0.000 1.133 228 T HN -0.081 nan 8.240 nan 0.000 0.463 229 P HA -0.188 nan 4.420 nan 0.000 0.298 229 P C -0.370 176.939 177.300 0.015 0.000 1.958 229 P CA 0.479 63.583 63.100 0.007 0.000 1.748 229 P CB 0.323 32.020 31.700 -0.004 0.000 0.280 230 M N -0.863 118.743 119.600 0.010 0.000 3.053 230 M HA 0.240 4.720 4.480 -0.000 0.000 0.293 230 M C -0.358 175.948 176.300 0.009 0.000 1.470 230 M CA 0.176 55.485 55.300 0.015 0.000 0.582 230 M CB 0.212 32.819 32.600 0.011 0.000 1.435 230 M HN 0.142 nan 8.290 nan 0.000 0.451 231 K N -0.697 119.710 120.400 0.010 0.000 2.367 231 K HA 0.673 4.993 4.320 -0.000 0.000 0.272 231 K C -2.448 174.163 176.600 0.019 0.000 1.046 231 K CA -1.436 54.858 56.287 0.012 0.000 0.895 231 K CB 1.125 33.629 32.500 0.007 0.000 1.512 231 K HN -0.051 nan 8.250 nan 0.000 0.433 232 P HA -0.124 nan 4.420 nan 0.000 0.230 232 P C 0.418 177.743 177.300 0.041 0.000 1.291 232 P CA 0.477 63.603 63.100 0.042 0.000 0.702 232 P CB 0.176 31.915 31.700 0.064 0.000 0.903 233 C N -7.054 112.290 119.300 0.073 0.000 3.961 233 C HA 0.267 4.727 4.460 -0.000 0.000 0.326 233 C C 1.845 176.916 174.990 0.135 0.000 2.639 233 C CA -0.503 58.553 59.018 0.063 0.000 1.490 233 C CB -1.926 25.846 27.740 0.055 0.000 2.907 233 C HN 0.387 nan 8.230 nan 0.000 0.426 234 Y N 3.217 123.534 120.300 0.027 0.000 2.384 234 Y HA 0.249 4.799 4.550 -0.000 0.000 0.289 234 Y C 1.496 177.460 175.900 0.107 0.000 1.152 234 Y CA 2.097 60.234 58.100 0.062 0.000 1.258 234 Y CB -0.327 38.156 38.460 0.039 0.000 0.979 234 Y HN 0.579 nan 8.280 nan 0.000 0.549 235 G N -0.114 108.640 108.800 -0.077 0.000 4.917 235 G HA2 0.371 4.331 3.960 -0.000 0.000 0.244 235 G HA3 0.371 4.331 3.960 -0.000 0.000 0.244 235 G C -0.815 173.913 174.900 -0.288 0.000 1.072 235 G CA -0.185 44.809 45.100 -0.176 0.000 0.850 235 G HN 0.153 nan 8.290 nan 0.000 0.559 236 S N -0.592 114.911 115.700 -0.329 0.000 2.648 236 S HA 0.712 5.182 4.470 -0.000 0.000 0.305 236 S C -0.794 173.507 174.600 -0.499 0.000 1.094 236 S CA -0.489 57.503 58.200 -0.346 0.000 0.983 236 S CB 1.953 65.062 63.200 -0.151 0.000 1.101 236 S HN 0.341 nan 8.310 nan 0.000 0.514 237 Y N 1.229 121.272 120.300 -0.429 0.000 2.956 237 Y HA 0.719 5.269 4.550 -0.000 0.000 0.418 237 Y C -0.133 175.684 175.900 -0.137 0.000 1.266 237 Y CA -0.245 57.666 58.100 -0.314 0.000 1.522 237 Y CB 0.263 38.589 38.460 -0.224 0.000 1.524 237 Y HN 0.746 nan 8.280 nan 0.000 0.799 238 A N 1.785 124.187 122.820 -0.696 0.000 1.717 238 A HA 0.201 4.521 4.320 -0.000 0.000 0.235 238 A C -1.106 176.119 177.584 -0.598 0.000 2.562 238 A CA -0.379 51.384 52.037 -0.457 0.000 2.110 238 A CB -1.572 17.237 19.000 -0.318 0.000 0.351 238 A HN 0.557 nan 8.150 nan 0.000 0.960 239 K N 2.694 122.940 120.400 -0.257 0.000 2.367 239 K HA 0.272 4.592 4.320 -0.000 0.000 0.275 239 K C -1.988 174.610 176.600 -0.004 0.000 1.125 239 K CA -0.410 55.911 56.287 0.058 0.000 1.133 239 K CB 0.153 32.819 32.500 0.277 0.000 0.875 239 K HN 0.395 nan 8.250 nan 0.000 0.467 240 P HA -0.016 nan 4.420 nan 0.000 0.268 240 P C -0.232 177.074 177.300 0.010 0.000 1.205 240 P CA -0.165 62.928 63.100 -0.012 0.000 0.771 240 P CB 1.216 32.912 31.700 -0.008 0.000 0.858 241 T N 1.502 116.051 114.554 -0.008 0.000 2.901 241 T HA -0.021 4.329 4.350 -0.000 0.000 0.252 241 T C 1.037 175.725 174.700 -0.020 0.000 1.035 241 T CA 1.209 63.305 62.100 -0.006 0.000 1.142 241 T CB -0.323 68.539 68.868 -0.010 0.000 0.869 241 T HN 0.697 nan 8.240 nan 0.000 0.442 242 N N 0.359 119.030 118.700 -0.049 0.000 3.455 242 N HA 0.272 5.012 4.740 -0.000 0.000 0.358 242 N C 0.767 176.222 175.510 -0.092 0.000 1.580 242 N CA -0.505 52.505 53.050 -0.066 0.000 0.692 242 N CB 0.631 39.071 38.487 -0.079 0.000 1.978 242 N HN 0.022 nan 8.380 nan 0.000 0.651 243 E N -0.454 119.681 120.200 -0.108 0.000 2.396 243 E HA -0.152 4.198 4.350 -0.000 0.000 0.200 243 E C -0.442 176.053 176.600 -0.175 0.000 1.023 243 E CA 1.144 57.475 56.400 -0.115 0.000 0.857 243 E CB -0.326 29.311 29.700 -0.104 0.000 0.775 243 E HN 0.466 nan 8.360 nan 0.000 0.525 244 N N 0.777 119.309 118.700 -0.280 0.000 2.886 244 N HA 0.158 4.898 4.740 -0.000 0.000 0.285 244 N C -0.427 174.916 175.510 -0.278 0.000 1.706 244 N CA 0.218 52.999 53.050 -0.448 0.000 0.904 244 N CB 1.269 39.075 38.487 -1.136 0.000 1.224 244 N HN 0.257 nan 8.380 nan 0.000 0.488 245 G N 1.116 109.851 108.800 -0.108 0.000 2.318 245 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.272 245 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.272 245 G C 0.996 175.895 174.900 -0.002 0.000 0.845 245 G CA 0.633 45.715 45.100 -0.031 0.000 1.153 245 G HN 0.532 nan 8.290 nan 0.000 0.460 246 G N -0.760 108.019 108.800 -0.036 0.000 2.421 246 G HA2 0.437 4.397 3.960 -0.000 0.000 0.238 246 G HA3 0.437 4.397 3.960 -0.000 0.000 0.238 246 G C 0.185 175.085 174.900 0.000 0.000 1.544 246 G CA 0.806 45.904 45.100 -0.004 0.000 1.044 246 G HN 1.102 nan 8.290 nan 0.000 0.537 247 Q N -3.002 116.797 119.800 -0.002 0.000 3.111 247 Q HA 0.479 4.819 4.340 -0.000 0.000 0.187 247 Q C -0.700 175.302 176.000 0.003 0.000 1.020 247 Q CA 0.540 56.339 55.803 -0.006 0.000 1.085 247 Q CB 0.743 29.469 28.738 -0.020 0.000 2.125 247 Q HN 1.878 nan 8.270 nan 0.000 0.556 248 G N 1.501 110.306 108.800 0.009 0.000 2.397 248 G HA2 0.387 4.347 3.960 -0.000 0.000 0.453 248 G HA3 0.387 4.347 3.960 -0.000 0.000 0.453 248 G C -1.474 173.435 174.900 0.016 0.000 1.579 248 G CA -0.482 44.626 45.100 0.012 0.000 0.906 248 G HN 0.851 nan 8.290 nan 0.000 0.675 249 I N 0.037 120.616 120.570 0.016 0.000 2.440 249 I HA 0.787 4.957 4.170 -0.000 0.000 0.294 249 I C 0.739 176.864 176.117 0.014 0.000 0.995 249 I CA -1.236 60.073 61.300 0.015 0.000 1.306 249 I CB 1.294 39.303 38.000 0.014 0.000 1.407 249 I HN 0.734 nan 8.210 nan 0.000 0.501 250 L N 4.236 125.467 121.223 0.013 0.000 4.551 250 L HA -0.214 4.126 4.340 -0.000 0.000 0.576 250 L C 0.776 177.654 176.870 0.013 0.000 0.999 250 L CA 1.429 56.276 54.840 0.012 0.000 0.604 250 L CB -0.220 41.845 42.059 0.011 0.000 0.424 250 L HN 0.780 nan 8.230 nan 0.000 1.115 251 V N 1.117 121.039 119.914 0.013 0.000 3.991 251 V HA 0.139 4.259 4.120 -0.000 0.000 0.287 251 V C 0.648 176.750 176.094 0.013 0.000 1.744 251 V CA -0.201 62.108 62.300 0.015 0.000 1.275 251 V CB 0.382 32.216 31.823 0.017 0.000 0.997 251 V HN 0.646 nan 8.190 nan 0.000 0.373 252 K N 2.321 122.728 120.400 0.012 0.000 2.449 252 K HA 0.409 4.729 4.320 -0.000 0.000 0.237 252 K C 0.027 176.633 176.600 0.009 0.000 1.265 252 K CA 0.367 56.660 56.287 0.010 0.000 1.193 252 K CB -1.142 31.364 32.500 0.009 0.000 1.515 252 K HN 0.755 nan 8.250 nan 0.000 0.259 253 Q N -0.129 119.677 119.800 0.011 0.000 3.072 253 Q HA -0.241 4.099 4.340 -0.000 0.000 0.063 253 Q C -0.916 175.089 176.000 0.009 0.000 1.624 253 Q CA 0.866 56.675 55.803 0.010 0.000 0.332 253 Q CB -0.388 28.355 28.738 0.009 0.000 0.594 253 Q HN 0.350 nan 8.270 nan 0.000 0.321 254 Q N 2.284 122.090 119.800 0.010 0.000 2.425 254 Q HA 0.468 4.808 4.340 -0.000 0.000 0.254 254 Q C -0.821 175.184 176.000 0.008 0.000 1.032 254 Q CA -0.269 55.539 55.803 0.009 0.000 0.798 254 Q CB 1.070 29.814 28.738 0.010 0.000 1.210 254 Q HN 0.596 nan 8.270 nan 0.000 0.491 255 N N 2.633 121.337 118.700 0.007 0.000 2.621 255 N HA -0.264 4.476 4.740 -0.000 0.000 0.269 255 N C 0.565 176.079 175.510 0.007 0.000 1.154 255 N CA 0.421 53.475 53.050 0.007 0.000 0.696 255 N CB -0.668 37.823 38.487 0.006 0.000 0.878 255 N HN 0.966 nan 8.380 nan 0.000 0.550 256 G N 0.853 109.657 108.800 0.007 0.000 4.039 256 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.220 256 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.220 256 G C -0.196 174.709 174.900 0.008 0.000 1.391 256 G CA 1.071 46.175 45.100 0.007 0.000 0.920 256 G HN 0.487 nan 8.290 nan 0.000 0.599 257 K N 1.830 122.235 120.400 0.009 0.000 2.621 257 K HA 0.610 4.930 4.320 -0.000 0.000 0.233 257 K C 0.749 177.356 176.600 0.012 0.000 0.972 257 K CA -0.113 56.180 56.287 0.010 0.000 0.988 257 K CB 1.069 33.575 32.500 0.010 0.000 1.187 257 K HN 0.925 nan 8.250 nan 0.000 0.471 258 L N -1.219 120.012 121.223 0.013 0.000 2.404 258 L HA -0.278 4.062 4.340 -0.000 0.000 0.293 258 L C 0.744 177.623 176.870 0.016 0.000 1.452 258 L CA 1.061 55.909 54.840 0.014 0.000 0.833 258 L CB -0.135 41.934 42.059 0.016 0.000 0.939 258 L HN 0.694 nan 8.230 nan 0.000 0.798 259 E N -2.215 117.996 120.200 0.018 0.000 4.296 259 E HA 0.489 4.839 4.350 -0.000 0.000 0.184 259 E C -1.191 175.424 176.600 0.025 0.000 1.198 259 E CA -0.018 56.394 56.400 0.020 0.000 0.767 259 E CB 1.549 31.259 29.700 0.017 0.000 2.656 259 E HN 0.814 nan 8.360 nan 0.000 0.516 260 S N -0.169 115.546 115.700 0.026 0.000 2.537 260 S HA 0.264 4.734 4.470 -0.000 0.000 0.270 260 S C -0.554 174.065 174.600 0.031 0.000 1.142 260 S CA -0.738 57.481 58.200 0.033 0.000 0.870 260 S CB 1.788 65.009 63.200 0.036 0.000 1.112 260 S HN 0.384 nan 8.310 nan 0.000 0.466 261 Q N 0.387 120.209 119.800 0.037 0.000 2.422 261 Q HA 0.343 4.683 4.340 -0.000 0.000 0.255 261 Q C 0.966 176.993 176.000 0.045 0.000 0.864 261 Q CA 0.085 55.909 55.803 0.035 0.000 0.968 261 Q CB -0.379 28.376 28.738 0.029 0.000 1.130 261 Q HN 0.693 nan 8.270 nan 0.000 0.556 262 V N -2.168 117.787 119.914 0.069 0.000 3.553 262 V HA 0.554 4.674 4.120 -0.000 0.000 0.287 262 V C 0.124 176.275 176.094 0.094 0.000 1.111 262 V CA -0.704 61.663 62.300 0.111 0.000 0.950 262 V CB 1.533 33.468 31.823 0.186 0.000 1.243 262 V HN 0.271 nan 8.190 nan 0.000 0.443 263 E N -0.878 119.384 120.200 0.103 0.000 1.793 263 E HA 0.649 4.999 4.350 -0.000 0.000 0.166 263 E C -1.813 174.682 176.600 -0.175 0.000 1.568 263 E CA -0.592 55.795 56.400 -0.021 0.000 0.994 263 E CB 2.039 31.707 29.700 -0.054 0.000 1.898 263 E HN 0.929 nan 8.360 nan 0.000 0.595 264 M N 0.418 119.867 119.600 -0.253 0.000 2.483 264 M HA 0.309 4.789 4.480 -0.000 0.000 0.266 264 M C -1.714 174.228 176.300 -0.597 0.000 0.936 264 M CA -0.561 54.504 55.300 -0.392 0.000 0.843 264 M CB 1.166 33.558 32.600 -0.348 0.000 1.911 264 M HN 0.340 nan 8.290 nan 0.000 0.563 265 Q N 1.915 121.273 119.800 -0.738 0.000 2.484 265 Q HA 0.917 5.257 4.340 -0.000 0.000 0.285 265 Q C -2.028 173.236 176.000 -1.227 0.000 1.097 265 Q CA -0.754 54.362 55.803 -1.145 0.000 0.802 265 Q CB 2.925 31.220 28.738 -0.739 0.000 1.444 265 Q HN 0.695 nan 8.270 nan 0.000 0.429 266 F N 0.319 119.875 119.950 -0.657 0.000 2.593 266 F HA 0.712 5.239 4.527 -0.000 0.000 0.320 266 F C -0.809 174.512 175.800 -0.799 0.000 1.060 266 F CA -0.862 56.789 58.000 -0.581 0.000 0.940 266 F CB 1.537 40.371 39.000 -0.276 0.000 1.268 266 F HN 0.356 nan 8.300 nan 0.000 0.475 267 F N 0.382 120.425 119.950 0.154 0.000 2.615 267 F HA 0.559 5.086 4.527 -0.000 0.000 0.312 267 F C -0.308 175.527 175.800 0.058 0.000 1.119 267 F CA -0.852 57.194 58.000 0.077 0.000 0.979 267 F CB 2.421 41.444 39.000 0.038 0.000 1.266 267 F HN 0.526 nan 8.300 nan 0.000 0.444 268 S N 0.716 116.573 115.700 0.261 0.000 2.541 268 S HA 0.283 4.753 4.470 -0.000 0.000 0.271 268 S C 0.220 174.875 174.600 0.091 0.000 1.133 268 S CA -0.272 58.011 58.200 0.138 0.000 0.876 268 S CB 2.010 65.268 63.200 0.096 0.000 1.105 268 S HN 0.758 nan 8.310 nan 0.000 0.470 269 T N 2.342 116.930 114.554 0.055 0.000 2.821 269 T HA 0.114 4.464 4.350 -0.000 0.000 0.267 269 T C 0.870 175.583 174.700 0.022 0.000 1.046 269 T CA 1.733 63.851 62.100 0.029 0.000 1.139 269 T CB -0.198 68.680 68.868 0.017 0.000 0.871 269 T HN 0.672 nan 8.240 nan 0.000 0.454 280 L N 2.092 123.327 121.223 0.019 0.000 3.010 280 L HA -0.231 4.109 4.340 -0.000 0.000 0.571 280 L C 0.186 177.054 176.870 -0.004 0.000 1.001 280 L CA 1.606 56.448 54.840 0.003 0.000 1.301 280 L CB -0.715 41.341 42.059 -0.005 0.000 1.494 280 L HN 0.983 nan 8.230 nan 0.000 0.722 281 T N 1.353 115.898 114.554 -0.015 0.000 5.245 281 T HA -0.007 4.343 4.350 -0.000 0.000 0.268 281 T C -2.223 172.473 174.700 -0.007 0.000 2.177 281 T CA -0.223 61.862 62.100 -0.026 0.000 3.737 281 T CB -0.423 68.441 68.868 -0.006 0.000 0.454 281 T HN 0.388 nan 8.240 nan 0.000 1.070 282 P HA 0.119 nan 4.420 nan 0.000 0.270 282 P C -0.221 177.110 177.300 0.052 0.000 1.167 282 P CA 0.601 63.732 63.100 0.053 0.000 0.759 282 P CB 0.312 32.054 31.700 0.070 0.000 0.777 283 K N 1.312 121.779 120.400 0.111 0.000 3.022 283 K HA 0.536 4.856 4.320 -0.000 0.000 0.178 283 K C -1.071 175.605 176.600 0.127 0.000 1.089 283 K CA -0.131 56.220 56.287 0.106 0.000 0.916 283 K CB 0.656 33.214 32.500 0.097 0.000 1.159 283 K HN 0.124 nan 8.250 nan 0.000 0.592 284 V N -0.333 119.653 119.914 0.120 0.000 3.278 284 V HA 0.297 4.417 4.120 -0.000 0.000 0.288 284 V C -0.726 175.437 176.094 0.116 0.000 1.514 284 V CA -0.794 61.566 62.300 0.101 0.000 1.051 284 V CB 2.530 34.410 31.823 0.096 0.000 1.163 284 V HN -0.005 nan 8.190 nan 0.000 0.458 285 V N 2.274 122.203 119.914 0.025 0.000 4.095 285 V HA 0.220 4.340 4.120 -0.000 0.000 0.341 285 V C 0.189 176.163 176.094 -0.199 0.000 1.692 285 V CA -0.092 62.186 62.300 -0.037 0.000 1.448 285 V CB 0.743 32.558 31.823 -0.015 0.000 1.023 285 V HN 0.688 nan 8.190 nan 0.000 0.431 286 L N 1.385 122.539 121.223 -0.114 0.000 2.837 286 L HA -0.161 4.179 4.340 -0.000 0.000 0.300 286 L C 0.442 177.226 176.870 -0.143 0.000 1.211 286 L CA 1.173 55.969 54.840 -0.073 0.000 0.890 286 L CB -0.092 41.958 42.059 -0.014 0.000 1.200 286 L HN 0.305 nan 8.230 nan 0.000 0.492 287 Y N 1.870 122.158 120.300 -0.021 0.000 2.378 287 Y HA 0.482 5.032 4.550 -0.000 0.000 0.351 287 Y C 0.613 176.498 175.900 -0.024 0.000 1.351 287 Y CA 0.584 58.668 58.100 -0.027 0.000 1.616 287 Y CB 1.519 39.961 38.460 -0.030 0.000 1.622 287 Y HN 0.674 nan 8.280 nan 0.000 0.568 288 S N 0.621 116.465 115.700 0.240 0.000 2.799 288 S HA 0.208 4.678 4.470 -0.000 0.000 0.303 288 S C -1.712 172.942 174.600 0.090 0.000 0.835 288 S CA -0.993 57.273 58.200 0.111 0.000 0.783 288 S CB 0.547 63.784 63.200 0.061 0.000 0.985 288 S HN 0.758 nan 8.310 nan 0.000 0.507 289 E N 2.848 123.078 120.200 0.050 0.000 2.311 289 E HA 0.381 4.731 4.350 -0.000 0.000 0.281 289 E C -1.706 174.906 176.600 0.019 0.000 0.905 289 E CA -0.701 55.719 56.400 0.034 0.000 0.778 289 E CB 1.609 31.322 29.700 0.022 0.000 1.240 289 E HN 0.590 nan 8.360 nan 0.000 0.410 290 D N 2.298 122.709 120.400 0.018 0.000 2.329 290 D HA 0.385 5.025 4.640 -0.000 0.000 0.246 290 D C 0.333 176.640 176.300 0.011 0.000 1.111 290 D CA 0.201 54.209 54.000 0.013 0.000 0.941 290 D CB 1.924 42.732 40.800 0.014 0.000 1.169 290 D HN 0.427 nan 8.370 nan 0.000 0.441 291 V N -1.170 118.750 119.914 0.010 0.000 3.333 291 V HA 0.483 4.603 4.120 -0.000 0.000 0.312 291 V C -1.306 174.799 176.094 0.018 0.000 1.520 291 V CA -0.797 61.512 62.300 0.015 0.000 0.973 291 V CB 1.786 33.616 31.823 0.012 0.000 1.061 291 V HN 0.297 nan 8.190 nan 0.000 0.483 292 D N 0.787 121.207 120.400 0.033 0.000 2.471 292 D HA 0.617 5.256 4.640 -0.000 0.000 0.245 292 D C -1.159 175.172 176.300 0.051 0.000 1.116 292 D CA 0.028 54.047 54.000 0.032 0.000 0.853 292 D CB 1.737 42.557 40.800 0.034 0.000 1.123 292 D HN 0.642 nan 8.370 nan 0.000 0.540 293 I N 2.016 122.596 120.570 0.017 0.000 2.498 293 I HA 0.259 4.429 4.170 -0.000 0.000 0.301 293 I C -0.618 175.481 176.117 -0.030 0.000 0.984 293 I CA -0.477 60.825 61.300 0.004 0.000 1.204 293 I CB 1.208 39.192 38.000 -0.026 0.000 1.362 293 I HN 0.206 nan 8.210 nan 0.000 0.471 294 E N 3.487 123.650 120.200 -0.061 0.000 2.313 294 E HA 0.297 4.647 4.350 -0.000 0.000 0.280 294 E C -1.456 175.046 176.600 -0.162 0.000 0.898 294 E CA -0.532 55.804 56.400 -0.107 0.000 0.803 294 E CB 1.963 31.599 29.700 -0.106 0.000 1.286 294 E HN 0.303 nan 8.360 nan 0.000 0.401 295 T N 3.939 118.393 114.554 -0.166 0.000 2.842 295 T HA 0.359 4.709 4.350 -0.000 0.000 0.308 295 T C -1.896 172.690 174.700 -0.190 0.000 1.041 295 T CA -1.222 60.761 62.100 -0.196 0.000 0.964 295 T CB 0.976 69.708 68.868 -0.226 0.000 0.972 295 T HN 0.300 nan 8.240 nan 0.000 0.460 296 P HA 0.233 nan 4.420 nan 0.000 0.275 296 P C 0.278 177.531 177.300 -0.078 0.000 1.310 296 P CA 0.128 63.172 63.100 -0.095 0.000 0.904 296 P CB 0.387 32.032 31.700 -0.091 0.000 1.381 297 D N -0.982 119.350 120.400 -0.114 0.000 2.503 297 D HA 0.042 4.682 4.640 -0.000 0.000 0.218 297 D C -0.405 175.841 176.300 -0.089 0.000 1.183 297 D CA -0.044 53.890 54.000 -0.110 0.000 0.827 297 D CB -0.313 40.393 40.800 -0.157 0.000 1.034 297 D HN -0.068 nan 8.370 nan 0.000 0.510 298 T N -1.611 112.870 114.554 -0.121 0.000 3.160 298 T HA 0.374 4.724 4.350 -0.000 0.000 0.346 298 T C -0.702 173.929 174.700 -0.115 0.000 1.027 298 T CA -0.695 61.369 62.100 -0.061 0.000 1.287 298 T CB 0.281 69.099 68.868 -0.083 0.000 0.997 298 T HN -0.019 nan 8.240 nan 0.000 0.518 299 H N 1.425 120.487 119.070 -0.013 0.000 2.683 299 H HA 0.754 5.310 4.556 -0.000 0.000 0.276 299 H C 0.977 176.318 175.328 0.021 0.000 1.564 299 H CA -0.803 55.242 56.048 -0.007 0.000 1.590 299 H CB 0.531 30.276 29.762 -0.028 0.000 1.692 299 H HN 0.484 nan 8.280 nan 0.000 0.871 300 I N -2.001 118.662 120.570 0.156 0.000 3.911 300 I HA 0.318 4.488 4.170 -0.000 0.000 0.262 300 I C 0.455 176.622 176.117 0.085 0.000 1.097 300 I CA -0.567 60.794 61.300 0.101 0.000 1.318 300 I CB 1.127 39.178 38.000 0.084 0.000 1.350 300 I HN 0.664 nan 8.210 nan 0.000 0.439 301 S N -0.908 114.848 115.700 0.094 0.000 3.894 301 S HA 0.285 4.755 4.470 -0.000 0.000 0.189 301 S C -0.100 174.584 174.600 0.140 0.000 1.096 301 S CA -0.444 57.815 58.200 0.099 0.000 1.481 301 S CB -0.196 63.074 63.200 0.117 0.000 1.321 301 S HN 0.469 nan 8.310 nan 0.000 0.828 302 Y N 1.844 122.196 120.300 0.085 0.000 2.511 302 Y HA 0.480 5.030 4.550 -0.000 0.000 0.347 302 Y C 0.187 176.116 175.900 0.048 0.000 1.257 302 Y CA 0.262 58.415 58.100 0.089 0.000 1.469 302 Y CB 0.541 39.072 38.460 0.119 0.000 1.353 302 Y HN 0.673 nan 8.280 nan 0.000 0.617 303 M N 6.211 126.158 119.600 0.577 0.000 2.400 303 M HA 0.087 4.567 4.480 -0.000 0.000 0.241 303 M C -2.545 173.916 176.300 0.270 0.000 0.946 303 M CA -1.116 54.328 55.300 0.241 0.000 0.815 303 M CB 1.436 34.116 32.600 0.135 0.000 2.182 303 M HN 0.233 nan 8.290 nan 0.000 0.487 304 P HA 0.032 nan 4.420 nan 0.000 0.217 304 P C -0.106 177.246 177.300 0.086 0.000 1.151 304 P CA 1.269 64.450 63.100 0.136 0.000 0.828 304 P CB 0.126 31.846 31.700 0.032 0.000 0.788 305 T N -4.466 110.118 114.554 0.049 0.000 3.105 305 T HA 0.366 4.716 4.350 -0.000 0.000 0.321 305 T C 0.435 175.149 174.700 0.023 0.000 1.135 305 T CA -0.839 61.280 62.100 0.032 0.000 1.053 305 T CB 1.002 69.879 68.868 0.016 0.000 1.133 305 T HN -0.124 nan 8.240 nan 0.000 0.463 306 I N 1.890 122.473 120.570 0.022 0.000 2.070 306 I HA 0.081 4.251 4.170 -0.000 0.000 0.224 306 I C 0.646 176.769 176.117 0.010 0.000 1.049 306 I CA 1.011 62.321 61.300 0.017 0.000 1.334 306 I CB -0.356 37.653 38.000 0.014 0.000 1.095 306 I HN 1.076 nan 8.210 nan 0.000 0.391 307 K N 1.662 122.067 120.400 0.008 0.000 6.527 307 K HA -0.180 4.140 4.320 -0.000 0.000 0.707 307 K C -0.091 176.513 176.600 0.006 0.000 2.023 307 K CA 0.913 57.204 56.287 0.006 0.000 1.629 307 K CB -0.419 32.084 32.500 0.005 0.000 1.835 307 K HN 0.686 nan 8.250 nan 0.000 0.314 308 E N 2.457 122.661 120.200 0.006 0.000 3.125 308 E HA 0.111 4.461 4.350 -0.000 0.000 0.304 308 E C 0.764 177.368 176.600 0.007 0.000 1.207 308 E CA 0.404 56.807 56.400 0.006 0.000 1.303 308 E CB 0.231 29.934 29.700 0.005 0.000 1.075 308 E HN 0.613 nan 8.360 nan 0.000 0.473 309 G N 1.333 110.138 108.800 0.008 0.000 2.635 309 G HA2 0.171 4.131 3.960 -0.000 0.000 0.194 309 G HA3 0.171 4.131 3.960 -0.000 0.000 0.194 309 G C -1.419 173.487 174.900 0.009 0.000 1.198 309 G CA -0.830 44.276 45.100 0.010 0.000 0.972 309 G HN 0.261 nan 8.290 nan 0.000 0.520 310 N N 0.051 118.759 118.700 0.013 0.000 2.240 310 N HA 0.698 5.438 4.740 -0.000 0.000 0.302 310 N C -1.376 174.134 175.510 -0.000 0.000 1.106 310 N CA -0.398 52.658 53.050 0.010 0.000 0.778 310 N CB 2.116 40.620 38.487 0.028 0.000 1.431 310 N HN 0.358 nan 8.380 nan 0.000 0.479 311 S N 0.500 116.181 115.700 -0.031 0.000 2.538 311 S HA 0.310 4.780 4.470 -0.000 0.000 0.288 311 S C 1.101 175.599 174.600 -0.170 0.000 1.108 311 S CA -0.828 57.330 58.200 -0.069 0.000 0.971 311 S CB 1.956 65.113 63.200 -0.071 0.000 1.041 311 S HN 0.388 nan 8.310 nan 0.000 0.483 312 R N 1.885 122.253 120.500 -0.219 0.000 2.303 312 R HA -0.061 4.279 4.340 -0.000 0.000 0.225 312 R C 0.232 176.081 176.300 -0.752 0.000 1.114 312 R CA 1.083 56.825 56.100 -0.595 0.000 1.007 312 R CB -0.238 29.814 30.300 -0.412 0.000 0.861 312 R HN 0.680 nan 8.270 nan 0.000 0.471 313 E N 0.132 120.089 120.200 -0.404 0.000 2.630 313 E HA 0.142 4.492 4.350 -0.000 0.000 0.218 313 E C 0.994 177.452 176.600 -0.237 0.000 0.977 313 E CA -0.267 55.935 56.400 -0.330 0.000 1.038 313 E CB 0.403 29.973 29.700 -0.217 0.000 1.051 313 E HN 0.027 nan 8.360 nan 0.000 0.487 314 L N 1.129 122.225 121.223 -0.212 0.000 2.610 314 L HA 0.084 4.424 4.340 -0.000 0.000 0.232 314 L C 0.734 177.534 176.870 -0.118 0.000 1.149 314 L CA 0.675 55.440 54.840 -0.126 0.000 0.872 314 L CB -0.161 41.848 42.059 -0.083 0.000 0.992 314 L HN 0.231 nan 8.230 nan 0.000 0.447 315 M N -0.022 119.473 119.600 -0.176 0.000 2.915 315 M HA 0.204 4.684 4.480 -0.000 0.000 0.206 315 M C 0.758 177.003 176.300 -0.092 0.000 1.271 315 M CA 0.240 55.462 55.300 -0.129 0.000 1.122 315 M CB -0.493 31.998 32.600 -0.182 0.000 1.655 315 M HN 0.069 nan 8.290 nan 0.000 0.434 316 G N 0.596 109.351 108.800 -0.075 0.000 4.138 316 G HA2 0.651 4.611 3.960 -0.000 0.000 0.335 316 G HA3 0.651 4.611 3.960 -0.000 0.000 0.335 316 G C -0.860 174.039 174.900 -0.001 0.000 1.517 316 G CA -0.389 44.677 45.100 -0.057 0.000 0.960 316 G HN 0.385 nan 8.290 nan 0.000 0.493 317 Q N 0.250 120.062 119.800 0.021 0.000 2.386 317 Q HA 0.314 4.654 4.340 -0.000 0.000 0.274 317 Q C 0.041 176.074 176.000 0.055 0.000 1.011 317 Q CA -0.714 55.121 55.803 0.054 0.000 0.867 317 Q CB 2.363 31.130 28.738 0.048 0.000 1.409 317 Q HN 0.366 nan 8.270 nan 0.000 0.395 318 Q N 0.133 119.976 119.800 0.073 0.000 3.038 318 Q HA 0.567 4.907 4.340 -0.000 0.000 0.261 318 Q C -0.346 175.695 176.000 0.069 0.000 1.159 318 Q CA -0.024 55.817 55.803 0.064 0.000 0.357 318 Q CB 0.795 29.576 28.738 0.073 0.000 5.667 318 Q HN 0.584 nan 8.270 nan 0.000 0.325 319 S N -1.508 114.238 115.700 0.077 0.000 2.724 319 S HA 0.587 5.057 4.470 -0.000 0.000 0.278 319 S C -1.755 172.914 174.600 0.115 0.000 1.190 319 S CA -0.654 57.619 58.200 0.122 0.000 0.860 319 S CB 1.381 64.691 63.200 0.183 0.000 1.206 319 S HN 0.466 nan 8.310 nan 0.000 0.507 320 M N 1.949 121.647 119.600 0.164 0.000 2.355 320 M HA 0.295 4.775 4.480 -0.000 0.000 0.232 320 M C -2.681 173.713 176.300 0.157 0.000 0.988 320 M CA -1.312 54.057 55.300 0.116 0.000 0.931 320 M CB 2.158 34.805 32.600 0.078 0.000 2.294 320 M HN 0.228 nan 8.290 nan 0.000 0.459 321 P HA -0.033 nan 4.420 nan 0.000 0.261 321 P C -0.102 177.207 177.300 0.015 0.000 1.297 321 P CA 0.800 64.003 63.100 0.172 0.000 0.757 321 P CB -0.334 31.468 31.700 0.170 0.000 1.149 322 N N -0.139 118.564 118.700 0.006 0.000 6.287 322 N HA -0.247 4.493 4.740 -0.000 0.000 0.390 322 N C -0.077 175.373 175.510 -0.099 0.000 0.933 322 N CA 0.495 53.517 53.050 -0.047 0.000 1.631 322 N CB -0.096 38.359 38.487 -0.054 0.000 0.760 322 N HN 0.006 nan 8.380 nan 0.000 0.488 323 R N 1.067 121.488 120.500 -0.133 0.000 2.298 323 R HA 0.316 4.656 4.340 -0.000 0.000 0.310 323 R C -2.097 174.064 176.300 -0.232 0.000 1.068 323 R CA -1.076 54.906 56.100 -0.196 0.000 0.957 323 R CB 0.826 30.993 30.300 -0.221 0.000 1.003 323 R HN 0.264 nan 8.270 nan 0.000 0.454 324 P HA 0.131 nan 4.420 nan 0.000 0.297 324 P C -1.111 175.630 177.300 -0.933 0.000 1.331 324 P CA -0.663 62.102 63.100 -0.560 0.000 0.803 324 P CB 1.030 32.425 31.700 -0.509 0.000 0.929 325 N N 2.492 120.779 118.700 -0.688 0.000 2.415 325 N HA 0.041 4.781 4.740 -0.000 0.000 0.248 325 N C -1.003 173.976 175.510 -0.886 0.000 1.271 325 N CA 0.264 52.970 53.050 -0.573 0.000 0.913 325 N CB -0.012 38.414 38.487 -0.102 0.000 1.129 325 N HN 0.259 nan 8.380 nan 0.000 0.444 326 Y N 1.703 122.021 120.300 0.031 0.000 2.490 326 Y HA 0.370 4.920 4.550 -0.000 0.000 0.346 326 Y C -0.177 175.805 175.900 0.136 0.000 1.023 326 Y CA -0.645 57.495 58.100 0.066 0.000 1.142 326 Y CB 0.104 38.572 38.460 0.014 0.000 1.126 326 Y HN 0.389 nan 8.280 nan 0.000 0.647 327 I N 2.459 123.230 120.570 0.334 0.000 2.755 327 I HA 0.042 4.212 4.170 -0.000 0.000 0.303 327 I C 0.704 176.952 176.117 0.219 0.000 1.168 327 I CA 0.412 61.857 61.300 0.242 0.000 1.588 327 I CB -0.508 37.594 38.000 0.170 0.000 1.509 327 I HN 0.441 nan 8.210 nan 0.000 0.734 328 A N 5.758 128.701 122.820 0.206 0.000 2.305 328 A HA 0.371 4.691 4.320 -0.000 0.000 0.322 328 A C 0.372 178.091 177.584 0.226 0.000 1.187 328 A CA -0.558 51.600 52.037 0.201 0.000 0.825 328 A CB 1.079 20.188 19.000 0.182 0.000 1.164 328 A HN 0.543 nan 8.150 nan 0.000 0.498 329 F N 2.306 122.283 119.950 0.045 0.000 1.980 329 F HA 0.099 4.626 4.527 -0.000 0.000 0.297 329 F C 1.113 176.954 175.800 0.069 0.000 1.225 329 F CA 1.845 59.871 58.000 0.043 0.000 1.176 329 F CB 0.040 39.041 39.000 0.002 0.000 0.961 329 F HN 0.566 nan 8.300 nan 0.000 0.501 330 R N -0.799 119.628 120.500 -0.121 0.000 2.764 330 R HA 0.156 4.496 4.340 -0.000 0.000 0.276 330 R C -1.004 175.285 176.300 -0.020 0.000 1.021 330 R CA -0.730 55.273 56.100 -0.162 0.000 0.870 330 R CB -0.161 29.907 30.300 -0.387 0.000 1.293 330 R HN 0.113 nan 8.270 nan 0.000 0.469 331 D N 0.494 120.905 120.400 0.018 0.000 2.174 331 D HA -0.052 4.588 4.640 -0.000 0.000 0.245 331 D C 0.701 177.075 176.300 0.124 0.000 1.301 331 D CA 0.155 54.205 54.000 0.084 0.000 0.959 331 D CB 0.302 41.152 40.800 0.083 0.000 1.231 331 D HN 0.351 nan 8.370 nan 0.000 0.535 332 N N 0.601 119.405 118.700 0.173 0.000 3.092 332 N HA -0.247 4.493 4.740 -0.000 0.000 0.266 332 N C -0.330 175.369 175.510 0.315 0.000 1.790 332 N CA 0.450 53.654 53.050 0.257 0.000 1.064 332 N CB -0.799 37.778 38.487 0.150 0.000 1.525 332 N HN 0.431 nan 8.380 nan 0.000 0.603 333 F N -2.430 117.654 119.950 0.224 0.000 2.656 333 F HA -0.286 4.241 4.527 -0.000 0.000 0.381 333 F C 0.568 176.375 175.800 0.012 0.000 0.603 333 F CA -0.147 57.997 58.000 0.239 0.000 1.335 333 F CB -1.820 37.297 39.000 0.194 0.000 1.836 333 F HN 0.153 nan 8.300 nan 0.000 0.290 334 I N 0.561 121.189 120.570 0.096 0.000 2.845 334 I HA 0.260 4.430 4.170 -0.000 0.000 0.290 334 I C 1.177 177.205 176.117 -0.148 0.000 1.202 334 I CA 1.935 63.212 61.300 -0.039 0.000 1.406 334 I CB -0.299 37.683 38.000 -0.031 0.000 1.383 334 I HN 0.361 nan 8.210 nan 0.000 0.549 335 G N 5.256 113.985 108.800 -0.119 0.000 2.795 335 G HA2 0.169 4.129 3.960 -0.000 0.000 0.127 335 G HA3 0.169 4.129 3.960 -0.000 0.000 0.127 335 G C -0.384 174.474 174.900 -0.071 0.000 1.203 335 G CA -0.771 44.256 45.100 -0.122 0.000 1.145 335 G HN 0.155 nan 8.290 nan 0.000 0.580 336 L N 1.281 122.510 121.223 0.010 0.000 5.068 336 L HA 0.230 4.570 4.340 -0.000 0.000 0.261 336 L C 0.277 177.277 176.870 0.217 0.000 1.516 336 L CA 1.258 56.136 54.840 0.064 0.000 0.918 336 L CB -2.188 39.967 42.059 0.159 0.000 1.459 336 L HN 0.304 nan 8.230 nan 0.000 0.397 337 M N -0.785 118.896 119.600 0.135 0.000 2.165 337 M HA 0.215 4.695 4.480 -0.000 0.000 0.283 337 M C -0.790 175.830 176.300 0.534 0.000 0.978 337 M CA -0.480 55.084 55.300 0.440 0.000 0.948 337 M CB 2.230 34.823 32.600 -0.012 0.000 1.599 337 M HN -0.054 nan 8.290 nan 0.000 0.450 338 Y N 3.583 124.389 120.300 0.844 0.000 2.623 338 Y HA 0.187 4.737 4.550 -0.000 0.000 0.341 338 Y C -0.917 175.365 175.900 0.637 0.000 1.292 338 Y CA 0.277 58.670 58.100 0.490 0.000 1.840 338 Y CB -0.627 37.865 38.460 0.053 0.000 1.865 338 Y HN 0.412 nan 8.280 nan 0.000 0.440 339 Y N 1.294 121.862 120.300 0.447 0.000 2.323 339 Y HA 0.218 4.768 4.550 -0.000 0.000 0.331 339 Y C 1.058 177.094 175.900 0.227 0.000 1.092 339 Y CA -0.653 57.655 58.100 0.346 0.000 1.150 339 Y CB 1.170 39.758 38.460 0.213 0.000 1.200 339 Y HN 0.543 nan 8.280 nan 0.000 0.472 340 N N -0.662 118.209 118.700 0.285 0.000 2.317 340 N HA -0.205 4.535 4.740 -0.000 0.000 0.197 340 N C -0.333 175.246 175.510 0.114 0.000 1.660 340 N CA 1.127 54.296 53.050 0.198 0.000 3.476 340 N CB -0.870 37.755 38.487 0.230 0.000 1.292 340 N HN 0.435 nan 8.380 nan 0.000 0.940 341 S N -0.253 115.518 115.700 0.118 0.000 2.601 341 S HA 0.387 4.857 4.470 -0.000 0.000 0.271 341 S C 1.507 176.060 174.600 -0.079 0.000 1.305 341 S CA 0.354 58.569 58.200 0.024 0.000 1.022 341 S CB 1.423 64.641 63.200 0.031 0.000 0.940 341 S HN 0.474 nan 8.310 nan 0.000 0.525 342 T N 1.008 115.498 114.554 -0.106 0.000 2.684 342 T HA 0.057 4.407 4.350 -0.000 0.000 0.253 342 T C 2.058 176.632 174.700 -0.211 0.000 1.057 342 T CA 0.900 62.907 62.100 -0.154 0.000 1.162 342 T CB -1.380 67.417 68.868 -0.119 0.000 0.868 342 T HN 0.639 nan 8.240 nan 0.000 0.409 343 G N 3.803 112.490 108.800 -0.189 0.000 2.574 343 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.220 343 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.220 343 G C 0.913 175.614 174.900 -0.332 0.000 1.173 343 G CA 1.020 45.986 45.100 -0.222 0.000 0.772 343 G HN 0.860 nan 8.290 nan 0.000 0.585 344 N N 0.454 118.902 118.700 -0.419 0.000 2.602 344 N HA 0.433 5.173 4.740 -0.000 0.000 0.238 344 N C -0.314 174.868 175.510 -0.546 0.000 1.084 344 N CA 0.166 52.837 53.050 -0.631 0.000 0.952 344 N CB 0.879 38.660 38.487 -1.177 0.000 1.244 344 N HN 0.447 nan 8.380 nan 0.000 0.512 345 M N -0.173 119.005 119.600 -0.704 0.000 3.369 345 M HA 0.519 4.999 4.480 -0.000 0.000 0.430 345 M C -0.860 174.727 176.300 -1.189 0.000 1.693 345 M CA -0.961 53.643 55.300 -1.160 0.000 0.893 345 M CB 0.310 32.354 32.600 -0.926 0.000 2.867 345 M HN 0.190 nan 8.290 nan 0.000 0.523 346 G N -0.205 107.727 108.800 -1.448 0.000 2.949 346 G HA2 0.803 4.763 3.960 -0.000 0.000 0.285 346 G HA3 0.803 4.763 3.960 -0.000 0.000 0.285 346 G C -1.543 173.053 174.900 -0.506 0.000 1.395 346 G CA -0.863 43.725 45.100 -0.853 0.000 0.901 346 G HN 0.720 nan 8.290 nan 0.000 0.519 347 V N -0.255 119.465 119.914 -0.324 0.000 3.336 347 V HA 0.570 4.690 4.120 -0.000 0.000 0.314 347 V C 0.183 176.222 176.094 -0.092 0.000 1.088 347 V CA -0.678 61.520 62.300 -0.171 0.000 1.033 347 V CB 1.641 33.401 31.823 -0.105 0.000 1.181 347 V HN 0.561 nan 8.190 nan 0.000 0.449 348 L N 0.149 121.365 121.223 -0.012 0.000 3.693 348 L HA 0.335 4.675 4.340 -0.000 0.000 0.357 348 L C 0.717 177.649 176.870 0.103 0.000 1.330 348 L CA -0.002 54.867 54.840 0.049 0.000 1.046 348 L CB -0.614 41.454 42.059 0.014 0.000 1.407 348 L HN 0.716 nan 8.230 nan 0.000 0.614 349 A N 0.809 123.684 122.820 0.092 0.000 2.526 349 A HA 0.395 4.715 4.320 -0.000 0.000 0.287 349 A C 1.847 179.529 177.584 0.162 0.000 1.232 349 A CA 0.961 53.062 52.037 0.106 0.000 0.900 349 A CB -0.604 18.428 19.000 0.054 0.000 1.077 349 A HN 0.717 nan 8.150 nan 0.000 0.535 350 G N 0.654 109.592 108.800 0.230 0.000 4.728 350 G HA2 -0.448 3.512 3.960 -0.000 0.000 0.256 350 G HA3 -0.448 3.512 3.960 -0.000 0.000 0.256 350 G C 0.952 175.858 174.900 0.011 0.000 1.261 350 G CA 2.163 47.379 45.100 0.192 0.000 0.862 350 G HN 1.527 nan 8.290 nan 0.000 0.891 351 Q N -3.439 116.391 119.800 0.051 0.000 7.172 351 Q HA -0.232 4.108 4.340 -0.000 0.000 0.341 351 Q C 2.068 178.064 176.000 -0.005 0.000 1.469 351 Q CA 1.553 57.363 55.803 0.012 0.000 0.527 351 Q CB -1.513 27.185 28.738 -0.066 0.000 0.449 351 Q HN 1.249 nan 8.270 nan 0.000 0.821 352 A N 0.954 123.752 122.820 -0.037 0.000 1.832 352 A HA -0.149 4.171 4.320 -0.000 0.000 0.214 352 A C 2.069 179.644 177.584 -0.014 0.000 1.200 352 A CA 3.601 55.623 52.037 -0.024 0.000 0.610 352 A CB -1.133 17.845 19.000 -0.036 0.000 0.842 352 A HN 0.940 nan 8.150 nan 0.000 0.444 353 S N -1.361 114.326 115.700 -0.022 0.000 2.359 353 S HA -0.260 4.210 4.470 -0.000 0.000 0.222 353 S C 1.112 175.718 174.600 0.010 0.000 1.038 353 S CA 1.851 60.047 58.200 -0.006 0.000 1.051 353 S CB -0.488 62.707 63.200 -0.007 0.000 0.944 353 S HN 0.908 nan 8.310 nan 0.000 0.433 354 Q N -0.361 119.455 119.800 0.026 0.000 2.479 354 Q HA -0.058 4.282 4.340 -0.000 0.000 0.282 354 Q C -1.505 174.520 176.000 0.042 0.000 1.279 354 Q CA 0.280 56.108 55.803 0.040 0.000 0.815 354 Q CB -1.718 27.034 28.738 0.023 0.000 1.204 354 Q HN 0.552 nan 8.270 nan 0.000 0.444 355 L N 2.227 123.484 121.223 0.056 0.000 2.287 355 L HA 0.506 4.846 4.340 -0.000 0.000 0.280 355 L C 0.355 177.270 176.870 0.075 0.000 1.055 355 L CA -0.034 54.837 54.840 0.052 0.000 0.863 355 L CB 0.281 42.365 42.059 0.042 0.000 1.245 355 L HN 0.365 nan 8.230 nan 0.000 0.432 356 N N 2.498 121.235 118.700 0.062 0.000 2.453 356 N HA 0.852 5.592 4.740 -0.000 0.000 0.290 356 N C -1.304 174.252 175.510 0.076 0.000 1.250 356 N CA -0.433 52.656 53.050 0.066 0.000 0.815 356 N CB 2.481 40.993 38.487 0.041 0.000 1.381 356 N HN 0.537 nan 8.380 nan 0.000 0.510 357 A N 0.646 123.527 122.820 0.101 0.000 2.483 357 A HA 0.499 4.819 4.320 -0.000 0.000 0.315 357 A C -1.908 175.806 177.584 0.217 0.000 1.027 357 A CA -0.522 51.631 52.037 0.193 0.000 0.996 357 A CB 0.066 19.308 19.000 0.403 0.000 1.288 357 A HN 0.489 nan 8.150 nan 0.000 0.371 358 V N 2.299 122.215 119.914 0.004 0.000 3.049 358 V HA 0.600 4.720 4.120 -0.000 0.000 0.309 358 V C -0.225 175.707 176.094 -0.271 0.000 1.148 358 V CA -0.633 61.594 62.300 -0.121 0.000 0.990 358 V CB 2.430 34.133 31.823 -0.201 0.000 1.039 358 V HN 1.036 nan 8.190 nan 0.000 0.430 359 V N 2.415 122.138 119.914 -0.319 0.000 2.649 359 V HA 0.530 4.650 4.120 -0.000 0.000 0.292 359 V C -0.585 175.376 176.094 -0.222 0.000 1.055 359 V CA -0.019 62.124 62.300 -0.262 0.000 1.023 359 V CB 1.394 33.143 31.823 -0.122 0.000 0.992 359 V HN 0.968 nan 8.190 nan 0.000 0.480 360 D N 3.266 123.573 120.400 -0.154 0.000 2.333 360 D HA 0.516 5.156 4.640 -0.000 0.000 0.225 360 D C -1.338 174.917 176.300 -0.075 0.000 1.345 360 D CA -0.162 53.775 54.000 -0.105 0.000 0.971 360 D CB 0.926 41.630 40.800 -0.161 0.000 1.451 360 D HN 0.421 nan 8.370 nan 0.000 0.561 361 L N 2.651 123.865 121.223 -0.015 0.000 2.493 361 L HA 0.283 4.623 4.340 -0.000 0.000 0.265 361 L C -0.441 176.453 176.870 0.039 0.000 0.954 361 L CA -0.692 54.147 54.840 -0.002 0.000 0.844 361 L CB 2.169 44.232 42.059 0.006 0.000 1.302 361 L HN 0.273 nan 8.230 nan 0.000 0.405 362 Q N 1.304 121.120 119.800 0.028 0.000 2.283 362 Q HA 0.102 4.442 4.340 -0.000 0.000 0.223 362 Q C -0.648 175.380 176.000 0.048 0.000 0.918 362 Q CA 0.268 56.096 55.803 0.043 0.000 0.952 362 Q CB -0.265 28.483 28.738 0.018 0.000 1.030 362 Q HN 0.341 nan 8.270 nan 0.000 0.452 363 D N -0.036 120.405 120.400 0.069 0.000 2.650 363 D HA 0.218 4.858 4.640 -0.000 0.000 0.265 363 D C -0.099 176.274 176.300 0.122 0.000 1.339 363 D CA -0.039 54.011 54.000 0.083 0.000 0.816 363 D CB 0.498 41.340 40.800 0.071 0.000 1.091 363 D HN 0.153 nan 8.370 nan 0.000 0.483 364 R N -0.280 120.305 120.500 0.142 0.000 3.808 364 R HA 0.472 4.812 4.340 -0.000 0.000 0.256 364 R C -1.256 175.177 176.300 0.222 0.000 0.977 364 R CA -0.955 55.251 56.100 0.178 0.000 0.804 364 R CB 0.230 30.638 30.300 0.181 0.000 1.731 364 R HN -0.075 nan 8.270 nan 0.000 0.393 365 N N -0.808 118.028 118.700 0.227 0.000 2.503 365 N HA 0.224 4.964 4.740 -0.000 0.000 0.287 365 N C -1.053 174.589 175.510 0.220 0.000 1.096 365 N CA -0.049 53.141 53.050 0.233 0.000 0.936 365 N CB 2.097 40.721 38.487 0.228 0.000 1.570 365 N HN 0.680 nan 8.380 nan 0.000 0.504 366 T N -0.138 114.565 114.554 0.248 0.000 3.010 366 T HA 0.215 4.565 4.350 -0.000 0.000 0.257 366 T C -0.152 174.684 174.700 0.226 0.000 1.020 366 T CA 0.208 62.502 62.100 0.324 0.000 0.938 366 T CB -0.008 69.097 68.868 0.395 0.000 1.049 366 T HN 0.378 nan 8.240 nan 0.000 0.522 367 E N 1.489 121.766 120.200 0.127 0.000 2.368 367 E HA 0.485 4.835 4.350 -0.000 0.000 0.283 367 E C -0.467 176.069 176.600 -0.106 0.000 1.476 367 E CA -0.045 56.373 56.400 0.029 0.000 1.786 367 E CB 0.167 29.890 29.700 0.038 0.000 1.518 367 E HN 0.483 nan 8.360 nan 0.000 0.456 368 L N -1.862 119.214 121.223 -0.245 0.000 2.915 368 L HA 0.039 4.379 4.340 -0.000 0.000 0.312 368 L C -0.054 176.376 176.870 -0.734 0.000 0.787 368 L CA 0.219 54.676 54.840 -0.638 0.000 1.121 368 L CB -0.009 41.802 42.059 -0.414 0.000 1.744 368 L HN 0.008 nan 8.230 nan 0.000 0.351 369 S N -2.942 112.330 115.700 -0.715 0.000 1.202 369 S HA -0.095 4.375 4.470 -0.000 0.000 0.254 369 S C 0.233 174.648 174.600 -0.308 0.000 0.572 369 S CA 0.399 58.365 58.200 -0.390 0.000 0.938 369 S CB -1.208 61.852 63.200 -0.233 0.000 0.819 369 S HN 0.831 nan 8.310 nan 0.000 0.485 370 Y N 1.924 122.192 120.300 -0.052 0.000 3.025 370 Y HA 0.525 5.075 4.550 -0.000 0.000 0.522 370 Y C 1.989 177.739 175.900 -0.251 0.000 1.476 370 Y CA 0.832 58.877 58.100 -0.091 0.000 2.213 370 Y CB -0.438 37.976 38.460 -0.076 0.000 1.780 370 Y HN 0.198 nan 8.280 nan 0.000 0.671 371 Q N -2.712 117.117 119.800 0.048 0.000 7.409 371 Q HA -0.145 4.195 4.340 -0.000 0.000 0.348 371 Q C 0.215 175.930 176.000 -0.475 0.000 1.404 371 Q CA 1.321 56.945 55.803 -0.298 0.000 0.505 371 Q CB -1.571 26.909 28.738 -0.430 0.000 0.163 371 Q HN 0.529 nan 8.270 nan 0.000 0.845 372 L N 2.800 123.750 121.223 -0.455 0.000 2.583 372 L HA 0.287 4.627 4.340 -0.000 0.000 0.239 372 L C 1.109 177.935 176.870 -0.073 0.000 1.347 372 L CA 0.865 55.524 54.840 -0.301 0.000 1.246 372 L CB -1.249 40.617 42.059 -0.322 0.000 1.496 372 L HN 0.533 nan 8.230 nan 0.000 0.413 373 L N -2.612 118.579 121.223 -0.053 0.000 4.470 373 L HA 0.161 4.501 4.340 -0.000 0.000 0.444 373 L C 0.298 177.162 176.870 -0.010 0.000 1.083 373 L CA 0.093 54.952 54.840 0.031 0.000 1.613 373 L CB -0.323 41.794 42.059 0.097 0.000 1.591 373 L HN 0.124 nan 8.230 nan 0.000 0.608 374 L N -0.939 120.254 121.223 -0.051 0.000 2.663 374 L HA 0.362 4.702 4.340 -0.000 0.000 0.218 374 L C 1.546 178.405 176.870 -0.017 0.000 1.043 374 L CA 0.806 55.614 54.840 -0.053 0.000 0.876 374 L CB -0.195 41.806 42.059 -0.095 0.000 1.263 374 L HN 0.157 nan 8.230 nan 0.000 0.486 375 D N -0.544 119.839 120.400 -0.028 0.000 2.380 375 D HA -0.088 4.552 4.640 -0.000 0.000 0.212 375 D C 2.007 178.339 176.300 0.054 0.000 1.021 375 D CA 0.857 54.875 54.000 0.030 0.000 0.884 375 D CB -0.264 40.577 40.800 0.068 0.000 1.001 375 D HN 0.203 nan 8.370 nan 0.000 0.506 376 S N 0.892 116.611 115.700 0.031 0.000 2.488 376 S HA -0.187 4.283 4.470 -0.000 0.000 0.246 376 S C 1.825 176.486 174.600 0.100 0.000 0.992 376 S CA 1.012 59.261 58.200 0.082 0.000 0.963 376 S CB -1.010 62.239 63.200 0.082 0.000 0.754 376 S HN 0.590 nan 8.310 nan 0.000 0.519 377 I N -1.215 119.402 120.570 0.078 0.000 2.594 377 I HA 0.487 4.657 4.170 -0.000 0.000 0.237 377 I C 1.465 177.620 176.117 0.064 0.000 1.071 377 I CA 0.347 61.698 61.300 0.085 0.000 1.427 377 I CB -1.127 36.916 38.000 0.072 0.000 1.218 377 I HN 0.369 nan 8.210 nan 0.000 0.444 378 G N 0.178 109.003 108.800 0.043 0.000 3.243 378 G HA2 0.276 4.236 3.960 -0.000 0.000 0.248 378 G HA3 0.276 4.236 3.960 -0.000 0.000 0.248 378 G C -1.705 173.201 174.900 0.009 0.000 1.267 378 G CA -0.245 44.867 45.100 0.021 0.000 0.906 378 G HN 0.121 nan 8.290 nan 0.000 0.592 379 D N -0.179 120.215 120.400 -0.009 0.000 2.414 379 D HA 0.286 4.926 4.640 -0.000 0.000 0.242 379 D C 0.364 176.634 176.300 -0.049 0.000 1.129 379 D CA 0.180 54.164 54.000 -0.026 0.000 0.885 379 D CB 0.715 41.495 40.800 -0.034 0.000 1.198 379 D HN 0.137 nan 8.370 nan 0.000 0.437 380 R N 1.597 122.054 120.500 -0.072 0.000 2.834 380 R HA 0.108 4.448 4.340 -0.000 0.000 0.362 380 R C 0.034 176.182 176.300 -0.254 0.000 1.147 380 R CA -0.073 55.946 56.100 -0.134 0.000 1.125 380 R CB 0.123 30.384 30.300 -0.065 0.000 1.361 380 R HN 0.346 nan 8.270 nan 0.000 0.598 381 T N -1.005 113.401 114.554 -0.246 0.000 3.330 381 T HA 0.182 4.532 4.350 -0.000 0.000 0.249 381 T C 0.714 175.110 174.700 -0.507 0.000 0.980 381 T CA -0.325 61.603 62.100 -0.286 0.000 0.920 381 T CB -0.305 68.480 68.868 -0.139 0.000 1.065 381 T HN 0.302 nan 8.240 nan 0.000 0.588 382 R N -0.611 119.458 120.500 -0.719 0.000 2.781 382 R HA 0.646 4.986 4.340 -0.000 0.000 0.269 382 R C -1.442 174.348 176.300 -0.850 0.000 1.025 382 R CA -1.043 54.568 56.100 -0.815 0.000 0.914 382 R CB 1.253 31.406 30.300 -0.246 0.000 1.236 382 R HN 0.267 nan 8.270 nan 0.000 0.465 383 Y N -1.027 119.353 120.300 0.133 0.000 2.871 383 Y HA 0.695 5.245 4.550 -0.000 0.000 0.236 383 Y C -1.041 175.041 175.900 0.303 0.000 2.263 383 Y CA -1.037 57.195 58.100 0.220 0.000 0.950 383 Y CB 0.976 39.619 38.460 0.304 0.000 2.467 383 Y HN 0.451 nan 8.280 nan 0.000 0.376 384 F N 0.012 120.200 119.950 0.395 0.000 2.693 384 F HA 0.479 5.006 4.527 -0.000 0.000 0.309 384 F C 0.187 175.918 175.800 -0.114 0.000 1.129 384 F CA -0.339 57.720 58.000 0.099 0.000 0.948 384 F CB 2.033 41.053 39.000 0.034 0.000 1.315 384 F HN 0.514 nan 8.300 nan 0.000 0.447 385 S N 2.204 117.236 115.700 -1.113 0.000 2.811 385 S HA 0.062 4.532 4.470 -0.000 0.000 0.237 385 S C 1.485 175.608 174.600 -0.796 0.000 1.038 385 S CA 0.363 58.021 58.200 -0.905 0.000 0.881 385 S CB -0.295 62.468 63.200 -0.729 0.000 0.815 385 S HN 0.573 nan 8.310 nan 0.000 0.582 386 M N 1.301 120.253 119.600 -1.079 0.000 2.346 386 M HA 0.198 4.678 4.480 -0.000 0.000 0.263 386 M C 0.571 176.711 176.300 -0.267 0.000 1.064 386 M CA 0.623 55.463 55.300 -0.766 0.000 1.083 386 M CB -1.114 30.784 32.600 -1.170 0.000 1.399 386 M HN 0.656 nan 8.290 nan 0.000 0.435 387 W N -2.210 119.256 121.300 0.276 0.000 4.480 387 W HA 0.333 4.993 4.660 -0.000 0.000 0.244 387 W C 0.461 177.026 176.519 0.077 0.000 3.451 387 W CA -0.812 56.629 57.345 0.159 0.000 1.187 387 W CB 0.368 30.006 29.460 0.297 0.000 2.108 387 W HN -0.195 nan 8.180 nan 0.000 0.356 388 N N 0.872 119.879 118.700 0.512 0.000 3.664 388 N HA -0.066 4.674 4.740 -0.000 0.000 0.139 388 N C -0.327 175.355 175.510 0.287 0.000 1.286 388 N CA 0.139 53.373 53.050 0.306 0.000 1.541 388 N CB 0.325 38.933 38.487 0.202 0.000 1.689 388 N HN 0.373 nan 8.380 nan 0.000 0.695 389 Q N 0.239 120.231 119.800 0.320 0.000 2.365 389 Q HA 0.280 4.620 4.340 -0.000 0.000 0.203 389 Q C 0.345 176.514 176.000 0.282 0.000 0.929 389 Q CA 0.180 56.107 55.803 0.206 0.000 0.948 389 Q CB 0.292 29.085 28.738 0.092 0.000 1.043 389 Q HN 0.344 nan 8.270 nan 0.000 0.505 390 A N 1.134 124.166 122.820 0.354 0.000 3.077 390 A HA 0.256 4.576 4.320 -0.000 0.000 0.255 390 A C 1.055 178.812 177.584 0.290 0.000 1.728 390 A CA 0.087 52.382 52.037 0.430 0.000 1.383 390 A CB -0.786 18.575 19.000 0.602 0.000 1.097 390 A HN 0.442 nan 8.150 nan 0.000 0.634 391 V N 0.883 120.934 119.914 0.229 0.000 2.359 391 V HA -0.328 3.792 4.120 -0.000 0.000 0.208 391 V C 0.956 177.125 176.094 0.124 0.000 0.887 391 V CA 2.787 65.197 62.300 0.183 0.000 1.033 391 V CB -0.093 31.844 31.823 0.190 0.000 0.727 391 V HN 0.742 nan 8.190 nan 0.000 0.545 392 D N -1.636 118.787 120.400 0.038 0.000 2.640 392 D HA 0.242 4.882 4.640 -0.000 0.000 0.282 392 D C 0.420 176.590 176.300 -0.217 0.000 1.558 392 D CA 0.649 54.652 54.000 0.004 0.000 0.820 392 D CB 0.331 41.157 40.800 0.044 0.000 1.243 392 D HN 0.826 nan 8.370 nan 0.000 0.456 393 S N -0.411 115.102 115.700 -0.313 0.000 2.587 393 S HA 0.332 4.802 4.470 -0.000 0.000 0.252 393 S C 0.694 174.849 174.600 -0.741 0.000 1.282 393 S CA 0.311 58.087 58.200 -0.707 0.000 0.977 393 S CB 0.547 63.547 63.200 -0.332 0.000 1.015 393 S HN 0.241 nan 8.310 nan 0.000 0.557 394 Y N -2.218 118.062 120.300 -0.034 0.000 2.327 394 Y HA 0.528 5.078 4.550 -0.000 0.000 0.082 394 Y C -0.946 174.919 175.900 -0.059 0.000 0.990 394 Y CA -0.440 57.626 58.100 -0.057 0.000 1.779 394 Y CB 0.036 38.429 38.460 -0.111 0.000 1.093 394 Y HN 0.552 nan 8.280 nan 0.000 0.184 395 D N 1.313 121.914 120.400 0.335 0.000 2.354 395 D HA 0.310 4.950 4.640 -0.000 0.000 0.230 395 D C -2.408 173.916 176.300 0.040 0.000 1.361 395 D CA -1.535 52.524 54.000 0.098 0.000 0.992 395 D CB 1.957 42.757 40.800 -0.000 0.000 1.409 395 D HN -0.090 nan 8.370 nan 0.000 0.573 396 P HA -0.292 nan 4.420 nan 0.000 0.238 396 P C 0.877 178.072 177.300 -0.175 0.000 1.108 396 P CA 1.691 64.790 63.100 -0.003 0.000 0.992 396 P CB 0.160 31.845 31.700 -0.025 0.000 0.748 397 D N -1.073 119.194 120.400 -0.222 0.000 2.221 397 D HA -0.087 4.553 4.640 -0.000 0.000 0.204 397 D C 1.445 177.489 176.300 -0.427 0.000 0.982 397 D CA 0.678 54.493 54.000 -0.308 0.000 0.857 397 D CB -1.144 39.456 40.800 -0.333 0.000 0.934 397 D HN 0.101 nan 8.370 nan 0.000 0.475 398 V N 1.660 121.238 119.914 -0.560 0.000 4.156 398 V HA -0.227 3.893 4.120 -0.000 0.000 0.266 398 V C 2.076 177.638 176.094 -0.888 0.000 0.846 398 V CA 0.432 62.252 62.300 -0.801 0.000 0.872 398 V CB -0.433 30.672 31.823 -1.195 0.000 1.145 398 V HN 0.129 nan 8.190 nan 0.000 0.401 399 R N -0.043 119.754 120.500 -1.171 0.000 2.442 399 R HA -0.304 4.036 4.340 -0.000 0.000 0.192 399 R C 1.639 177.568 176.300 -0.620 0.000 0.989 399 R CA 2.734 58.272 56.100 -0.937 0.000 0.362 399 R CB -1.849 27.819 30.300 -1.055 0.000 0.682 399 R HN 0.615 nan 8.270 nan 0.000 0.252 400 I N -0.038 120.235 120.570 -0.494 0.000 2.811 400 I HA -0.120 4.050 4.170 -0.000 0.000 0.177 400 I C 1.800 177.725 176.117 -0.319 0.000 0.903 400 I CA 2.771 63.874 61.300 -0.328 0.000 1.250 400 I CB -0.443 37.416 38.000 -0.235 0.000 0.979 400 I HN 0.712 nan 8.210 nan 0.000 0.372 401 I N -4.500 115.896 120.570 -0.291 0.000 2.210 401 I HA 0.290 4.460 4.170 -0.000 0.000 0.318 401 I C -0.435 175.537 176.117 -0.241 0.000 2.646 401 I CA -0.174 60.957 61.300 -0.282 0.000 1.039 401 I CB 0.636 38.500 38.000 -0.226 0.000 1.934 401 I HN 0.385 nan 8.210 nan 0.000 0.596 402 E N 1.165 121.239 120.200 -0.209 0.000 2.591 402 E HA 0.176 4.526 4.350 -0.000 0.000 0.226 402 E C -1.376 175.101 176.600 -0.204 0.000 1.062 402 E CA -0.210 56.078 56.400 -0.187 0.000 1.022 402 E CB -0.128 29.443 29.700 -0.215 0.000 1.014 402 E HN 0.553 nan 8.360 nan 0.000 0.415 403 N N 0.991 119.618 118.700 -0.122 0.000 2.508 403 N HA 0.081 4.821 4.740 -0.000 0.000 0.264 403 N C -0.128 175.439 175.510 0.094 0.000 1.216 403 N CA 0.896 53.938 53.050 -0.014 0.000 0.943 403 N CB 0.705 39.191 38.487 -0.002 0.000 1.113 403 N HN 0.501 nan 8.380 nan 0.000 0.447 404 H N -0.153 119.006 119.070 0.149 0.000 3.808 404 H HA 0.221 4.777 4.556 -0.000 0.000 0.267 404 H C 0.398 175.762 175.328 0.060 0.000 1.168 404 H CA -0.079 56.014 56.048 0.074 0.000 1.089 404 H CB -0.805 28.985 29.762 0.046 0.000 3.342 404 H HN 0.794 nan 8.280 nan 0.000 0.721 405 G N 0.620 109.670 108.800 0.416 0.000 2.725 405 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.220 405 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.220 405 G C -0.371 174.488 174.900 -0.068 0.000 1.357 405 G CA -0.185 45.000 45.100 0.142 0.000 0.866 405 G HN 0.760 nan 8.290 nan 0.000 0.548 406 T N -0.489 113.862 114.554 -0.339 0.000 2.938 406 T HA 0.662 5.012 4.350 -0.000 0.000 0.285 406 T C 0.870 175.378 174.700 -0.319 0.000 1.028 406 T CA 0.190 61.985 62.100 -0.508 0.000 1.005 406 T CB 1.946 70.391 68.868 -0.705 0.000 1.157 406 T HN 0.707 nan 8.240 nan 0.000 0.550 407 E N 0.105 120.147 120.200 -0.262 0.000 2.511 407 E HA 0.057 4.407 4.350 -0.000 0.000 0.209 407 E C 1.284 177.801 176.600 -0.137 0.000 0.986 407 E CA -0.120 56.178 56.400 -0.170 0.000 0.974 407 E CB 0.131 29.772 29.700 -0.098 0.000 1.030 407 E HN 0.672 nan 8.360 nan 0.000 0.490 408 D N 2.133 122.435 120.400 -0.164 0.000 2.127 408 D HA -0.265 4.375 4.640 -0.000 0.000 0.206 408 D C 0.712 176.951 176.300 -0.102 0.000 0.989 408 D CA 1.644 55.571 54.000 -0.123 0.000 0.877 408 D CB -0.287 40.429 40.800 -0.141 0.000 1.042 408 D HN 0.115 nan 8.370 nan 0.000 0.455 409 E N -0.273 119.862 120.200 -0.108 0.000 3.867 409 E HA -0.272 4.078 4.350 -0.000 0.000 0.227 409 E C 0.682 177.232 176.600 -0.083 0.000 1.216 409 E CA 1.399 57.746 56.400 -0.089 0.000 2.109 409 E CB -1.647 28.003 29.700 -0.082 0.000 1.809 409 E HN 0.375 nan 8.360 nan 0.000 0.324 410 L N 2.370 123.548 121.223 -0.075 0.000 2.739 410 L HA -0.122 4.218 4.340 -0.000 0.000 0.365 410 L C -1.930 174.871 176.870 -0.115 0.000 1.353 410 L CA 0.469 55.264 54.840 -0.076 0.000 0.815 410 L CB -0.731 41.295 42.059 -0.054 0.000 0.968 410 L HN 0.310 nan 8.230 nan 0.000 0.667 411 P HA 0.271 nan 4.420 nan 0.000 0.300 411 P C -1.720 175.357 177.300 -0.371 0.000 1.326 411 P CA -0.685 62.223 63.100 -0.321 0.000 0.844 411 P CB 0.845 32.318 31.700 -0.377 0.000 0.992 412 N N 2.278 120.744 118.700 -0.391 0.000 2.675 412 N HA 0.227 4.967 4.740 -0.000 0.000 0.254 412 N C -0.008 175.428 175.510 -0.124 0.000 1.224 412 N CA -0.563 52.382 53.050 -0.175 0.000 0.777 412 N CB 0.474 38.928 38.487 -0.056 0.000 1.256 412 N HN 0.295 nan 8.380 nan 0.000 0.531 413 Y N -0.248 120.076 120.300 0.040 0.000 3.025 413 Y HA 0.354 4.904 4.550 -0.000 0.000 0.522 413 Y C 0.612 176.497 175.900 -0.026 0.000 1.476 413 Y CA -0.605 57.468 58.100 -0.046 0.000 2.213 413 Y CB 0.328 38.666 38.460 -0.203 0.000 1.780 413 Y HN 0.216 nan 8.280 nan 0.000 0.671 414 C N 0.472 119.819 119.300 0.078 0.000 2.928 414 C HA 0.376 4.836 4.460 -0.000 0.000 0.396 414 C C -1.442 173.503 174.990 -0.075 0.000 1.052 414 C CA -1.180 57.880 59.018 0.069 0.000 1.251 414 C CB -1.015 26.743 27.740 0.030 0.000 1.684 414 C HN 0.449 nan 8.230 nan 0.000 0.501 415 F N 4.942 124.905 119.950 0.022 0.000 2.421 415 F HA 0.654 5.181 4.527 -0.000 0.000 0.337 415 F C -1.141 174.642 175.800 -0.027 0.000 1.105 415 F CA -1.482 56.510 58.000 -0.012 0.000 1.049 415 F CB 0.771 39.743 39.000 -0.047 0.000 1.139 415 F HN 0.419 nan 8.300 nan 0.000 0.479 416 P HA 0.277 nan 4.420 nan 0.000 0.283 416 P C 0.813 178.095 177.300 -0.030 0.000 1.278 416 P CA -0.683 62.440 63.100 0.040 0.000 0.834 416 P CB 0.972 32.692 31.700 0.033 0.000 1.150 417 L N -2.135 119.015 121.223 -0.121 0.000 2.127 417 L HA 0.078 4.418 4.340 -0.000 0.000 0.211 417 L C 0.917 177.552 176.870 -0.393 0.000 1.089 417 L CA 1.857 56.482 54.840 -0.358 0.000 0.757 417 L CB -2.017 39.787 42.059 -0.426 0.000 0.899 417 L HN 0.459 nan 8.230 nan 0.000 0.434 418 G N -1.125 107.602 108.800 -0.121 0.000 3.212 418 G HA2 0.517 4.477 3.960 -0.000 0.000 0.188 418 G HA3 0.517 4.477 3.960 -0.000 0.000 0.188 418 G C 0.530 175.466 174.900 0.060 0.000 1.254 418 G CA 0.077 45.169 45.100 -0.013 0.000 0.957 418 G HN 0.152 nan 8.290 nan 0.000 0.596 419 G N -2.063 106.798 108.800 0.102 0.000 2.881 419 G HA2 0.455 4.415 3.960 -0.000 0.000 0.198 419 G HA3 0.455 4.415 3.960 -0.000 0.000 0.198 419 G C -0.410 174.645 174.900 0.258 0.000 1.081 419 G CA 1.047 46.254 45.100 0.178 0.000 0.787 419 G HN 1.528 nan 8.290 nan 0.000 0.622 420 V N -0.308 119.692 119.914 0.143 0.000 3.022 420 V HA 0.427 4.547 4.120 -0.000 0.000 0.272 420 V C -1.368 174.758 176.094 0.053 0.000 1.584 420 V CA -0.631 61.703 62.300 0.056 0.000 0.974 420 V CB 1.928 33.892 31.823 0.236 0.000 1.219 420 V HN 0.186 nan 8.190 nan 0.000 0.450 421 I N 4.360 124.928 120.570 -0.003 0.000 3.947 421 I HA 0.395 4.565 4.170 -0.000 0.000 0.327 421 I C 1.162 177.288 176.117 0.016 0.000 1.519 421 I CA 0.310 61.634 61.300 0.040 0.000 1.122 421 I CB 0.235 38.267 38.000 0.054 0.000 1.146 421 I HN 0.689 nan 8.210 nan 0.000 0.442 422 N N 0.657 119.359 118.700 0.003 0.000 2.422 422 N HA -0.005 4.735 4.740 -0.000 0.000 0.181 422 N C 0.937 176.464 175.510 0.029 0.000 1.080 422 N CA 0.987 54.042 53.050 0.008 0.000 0.893 422 N CB 0.058 38.551 38.487 0.009 0.000 0.973 422 N HN 0.506 nan 8.380 nan 0.000 0.456 423 T N 0.342 114.923 114.554 0.045 0.000 2.742 423 T HA -0.291 4.059 4.350 -0.000 0.000 0.443 423 T C 0.386 175.108 174.700 0.037 0.000 0.918 423 T CA 1.004 63.135 62.100 0.051 0.000 1.140 423 T CB -0.303 68.600 68.868 0.057 0.000 1.022 423 T HN 0.532 nan 8.240 nan 0.000 0.527 424 E N -2.309 117.910 120.200 0.033 0.000 2.331 424 E HA 0.352 4.702 4.350 -0.000 0.000 0.263 424 E C -1.450 175.160 176.600 0.017 0.000 1.224 424 E CA -0.984 55.429 56.400 0.021 0.000 0.898 424 E CB 0.738 30.450 29.700 0.020 0.000 1.591 424 E HN 0.681 nan 8.360 nan 0.000 0.463 425 T N 0.527 115.086 114.554 0.009 0.000 2.928 425 T HA 0.666 5.016 4.350 -0.000 0.000 0.284 425 T C -0.656 174.047 174.700 0.005 0.000 1.008 425 T CA -0.353 61.751 62.100 0.006 0.000 1.057 425 T CB 0.417 69.285 68.868 -0.000 0.000 1.018 425 T HN 0.288 nan 8.240 nan 0.000 0.493 426 L N 2.266 123.493 121.223 0.006 0.000 2.543 426 L HA 0.448 4.788 4.340 -0.000 0.000 0.265 426 L C -0.612 176.263 176.870 0.009 0.000 0.945 426 L CA -0.337 54.507 54.840 0.006 0.000 0.869 426 L CB 2.573 44.641 42.059 0.014 0.000 1.294 426 L HN 0.661 nan 8.230 nan 0.000 0.405 427 T N 2.289 116.845 114.554 0.004 0.000 2.879 427 T HA 0.430 4.780 4.350 -0.000 0.000 0.290 427 T C -0.226 174.482 174.700 0.013 0.000 0.993 427 T CA -0.959 61.148 62.100 0.011 0.000 0.975 427 T CB 1.923 70.793 68.868 0.003 0.000 0.981 427 T HN 0.263 nan 8.240 nan 0.000 0.439 428 K N 1.637 122.057 120.400 0.033 0.000 2.457 428 K HA 0.304 4.624 4.320 -0.000 0.000 0.269 428 K C 0.038 176.652 176.600 0.023 0.000 0.969 428 K CA 0.191 56.501 56.287 0.038 0.000 0.921 428 K CB 0.334 32.873 32.500 0.065 0.000 0.940 428 K HN 0.379 nan 8.250 nan 0.000 0.517 429 V N -0.580 119.349 119.914 0.026 0.000 3.065 429 V HA 0.581 4.701 4.120 -0.000 0.000 0.312 429 V C -0.666 175.459 176.094 0.053 0.000 1.412 429 V CA -0.983 61.337 62.300 0.032 0.000 1.039 429 V CB 2.151 33.981 31.823 0.012 0.000 1.077 429 V HN 0.974 nan 8.190 nan 0.000 0.473 430 K N 0.130 120.587 120.400 0.095 0.000 2.931 430 K HA 0.327 4.647 4.320 -0.000 0.000 0.292 430 K C -2.865 173.826 176.600 0.151 0.000 1.077 430 K CA -0.313 56.030 56.287 0.094 0.000 0.829 430 K CB 1.606 34.138 32.500 0.053 0.000 1.488 430 K HN 0.433 nan 8.250 nan 0.000 0.358 431 P HA 0.130 nan 4.420 nan 0.000 0.218 431 P C 0.254 177.562 177.300 0.014 0.000 1.140 431 P CA 0.731 63.865 63.100 0.057 0.000 0.883 431 P CB 0.360 32.077 31.700 0.027 0.000 0.828 432 K N -1.244 119.165 120.400 0.015 0.000 8.070 432 K HA -0.196 4.124 4.320 -0.000 0.000 0.487 432 K C 0.220 176.811 176.600 -0.016 0.000 0.363 432 K CA 2.804 59.091 56.287 0.001 0.000 1.957 432 K CB -2.253 30.251 32.500 0.005 0.000 0.676 432 K HN 0.172 nan 8.250 nan 0.000 0.908 433 T N -2.530 112.004 114.554 -0.033 0.000 4.980 433 T HA 0.008 4.358 4.350 -0.000 0.000 0.295 433 T C -0.014 174.657 174.700 -0.049 0.000 1.483 433 T CA 0.736 62.811 62.100 -0.042 0.000 2.774 433 T CB -1.796 67.055 68.868 -0.028 0.000 1.610 433 T HN 0.902 nan 8.240 nan 0.000 1.062 434 G N 1.458 110.220 108.800 -0.063 0.000 3.717 434 G HA2 0.515 4.475 3.960 -0.000 0.000 0.258 434 G HA3 0.515 4.475 3.960 -0.000 0.000 0.258 434 G C 0.599 175.451 174.900 -0.081 0.000 1.088 434 G CA 0.873 45.936 45.100 -0.061 0.000 1.737 434 G HN 0.923 nan 8.290 nan 0.000 0.648 435 Q N -1.129 118.626 119.800 -0.075 0.000 7.807 435 Q HA -0.201 4.139 4.340 -0.000 0.000 0.363 435 Q C 0.189 176.135 176.000 -0.090 0.000 1.090 435 Q CA 1.148 56.905 55.803 -0.077 0.000 0.531 435 Q CB -1.239 27.450 28.738 -0.081 0.000 0.158 435 Q HN 0.437 nan 8.270 nan 0.000 0.884 436 E N 0.805 120.927 120.200 -0.130 0.000 2.673 436 E HA 0.220 4.570 4.350 -0.000 0.000 0.215 436 E C -0.992 175.487 176.600 -0.201 0.000 0.935 436 E CA 0.540 56.858 56.400 -0.136 0.000 1.341 436 E CB 1.217 30.842 29.700 -0.125 0.000 1.277 436 E HN 0.642 nan 8.360 nan 0.000 0.667 437 N N -1.347 117.190 118.700 -0.272 0.000 8.092 437 N HA -0.065 4.675 4.740 -0.000 0.000 0.079 437 N C 0.232 175.385 175.510 -0.596 0.000 0.843 437 N CA 0.162 52.964 53.050 -0.413 0.000 1.307 437 N CB -0.487 37.702 38.487 -0.497 0.000 1.171 437 N HN -0.009 nan 8.380 nan 0.000 1.426 438 G N 1.095 109.690 108.800 -0.343 0.000 2.425 438 G HA2 0.095 4.055 3.960 -0.000 0.000 0.213 438 G HA3 0.095 4.055 3.960 -0.000 0.000 0.213 438 G C -0.269 174.604 174.900 -0.044 0.000 1.201 438 G CA 0.827 45.803 45.100 -0.207 0.000 0.799 438 G HN 0.762 nan 8.290 nan 0.000 0.534 439 W N 0.756 122.056 121.300 -0.001 0.000 3.153 439 W HA -0.026 4.634 4.660 -0.000 0.000 0.419 439 W C -0.898 175.622 176.519 0.001 0.000 1.652 439 W CA -0.411 56.934 57.345 0.000 0.000 0.654 439 W CB -2.293 27.168 29.460 0.002 0.000 2.872 439 W HN 0.242 nan 8.180 nan 0.000 0.906 440 E N 1.174 121.491 120.200 0.194 0.000 2.404 440 E HA 0.376 4.726 4.350 -0.000 0.000 0.298 440 E C 0.139 176.782 176.600 0.072 0.000 0.908 440 E CA -0.842 55.626 56.400 0.113 0.000 0.808 440 E CB 1.767 31.521 29.700 0.090 0.000 1.380 440 E HN 0.208 nan 8.360 nan 0.000 0.392 441 K N 0.910 121.344 120.400 0.057 0.000 5.504 441 K HA -0.173 4.147 4.320 -0.000 0.000 0.578 441 K C -0.913 175.706 176.600 0.032 0.000 2.575 441 K CA 0.977 57.288 56.287 0.040 0.000 2.024 441 K CB -0.199 32.321 32.500 0.034 0.000 2.552 441 K HN 0.722 nan 8.250 nan 0.000 0.185 442 D N -0.416 120.001 120.400 0.029 0.000 2.623 442 D HA 0.714 5.354 4.640 -0.000 0.000 0.241 442 D C -1.591 174.731 176.300 0.036 0.000 1.241 442 D CA -0.008 54.002 54.000 0.017 0.000 0.788 442 D CB 1.816 42.625 40.800 0.015 0.000 1.413 442 D HN 0.669 nan 8.370 nan 0.000 0.429 447 S N 0.135 115.939 115.700 0.173 0.000 2.568 447 S HA 0.487 4.957 4.470 -0.000 0.000 0.302 447 S C -0.313 174.318 174.600 0.053 0.000 1.082 447 S CA -0.344 57.882 58.200 0.044 0.000 1.009 447 S CB 1.853 65.041 63.200 -0.019 0.000 1.069 447 S HN 0.349 nan 8.310 nan 0.000 0.500 448 D N 1.148 121.563 120.400 0.025 0.000 2.357 448 D HA 0.189 4.829 4.640 -0.000 0.000 0.284 448 D C 0.039 176.349 176.300 0.016 0.000 1.184 448 D CA 0.118 54.131 54.000 0.021 0.000 0.973 448 D CB 0.136 40.943 40.800 0.012 0.000 0.945 448 D HN 0.499 nan 8.370 nan 0.000 0.279 449 K N 1.011 121.416 120.400 0.009 0.000 2.349 449 K HA 0.107 4.427 4.320 -0.000 0.000 0.288 449 K C -1.205 175.401 176.600 0.010 0.000 1.058 449 K CA -0.085 56.207 56.287 0.008 0.000 0.953 449 K CB 0.191 32.693 32.500 0.003 0.000 0.997 449 K HN 0.284 nan 8.250 nan 0.000 0.477 450 N N 4.367 123.077 118.700 0.016 0.000 2.443 450 N HA 0.047 4.787 4.740 -0.000 0.000 0.269 450 N C -1.194 174.333 175.510 0.028 0.000 0.985 450 N CA -0.642 52.422 53.050 0.022 0.000 0.921 450 N CB 1.837 40.340 38.487 0.026 0.000 1.195 450 N HN 0.662 nan 8.380 nan 0.000 0.492 451 E N 4.200 124.421 120.200 0.036 0.000 2.105 451 E HA 0.263 4.613 4.350 -0.000 0.000 0.285 451 E C -0.740 175.898 176.600 0.063 0.000 1.055 451 E CA -0.290 56.138 56.400 0.046 0.000 0.843 451 E CB 0.308 30.038 29.700 0.050 0.000 1.067 451 E HN 0.579 nan 8.360 nan 0.000 0.398 452 I N 1.678 122.283 120.570 0.059 0.000 2.686 452 I HA 0.305 4.475 4.170 -0.000 0.000 0.280 452 I C -0.710 175.447 176.117 0.067 0.000 1.322 452 I CA -1.032 60.308 61.300 0.067 0.000 1.107 452 I CB 1.049 39.083 38.000 0.057 0.000 1.366 452 I HN 0.265 nan 8.210 nan 0.000 0.443 453 R N 4.085 124.635 120.500 0.084 0.000 2.594 453 R HA 0.567 4.907 4.340 -0.000 0.000 0.272 453 R C -1.062 175.300 176.300 0.104 0.000 1.074 453 R CA -0.115 56.040 56.100 0.093 0.000 1.105 453 R CB 1.357 31.724 30.300 0.111 0.000 1.008 453 R HN 0.565 nan 8.270 nan 0.000 0.472 454 V N 3.976 123.942 119.914 0.087 0.000 2.530 454 V HA 0.661 4.781 4.120 -0.000 0.000 0.282 454 V C 0.549 176.685 176.094 0.070 0.000 1.048 454 V CA 1.012 63.349 62.300 0.062 0.000 0.997 454 V CB 0.760 32.606 31.823 0.038 0.000 0.987 454 V HN 1.018 nan 8.190 nan 0.000 0.477 455 G N 4.177 112.984 108.800 0.012 0.000 2.316 455 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.468 455 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.468 455 G C -0.992 173.770 174.900 -0.231 0.000 1.523 455 G CA -1.078 43.967 45.100 -0.091 0.000 0.972 455 G HN 0.585 nan 8.290 nan 0.000 0.667 456 N N 1.027 119.523 118.700 -0.340 0.000 2.329 456 N HA 0.037 4.777 4.740 -0.000 0.000 0.237 456 N C 1.174 176.335 175.510 -0.581 0.000 1.258 456 N CA 0.367 53.199 53.050 -0.364 0.000 0.866 456 N CB 0.247 38.531 38.487 -0.339 0.000 1.102 456 N HN 0.721 nan 8.380 nan 0.000 0.440 457 N N 0.801 119.314 118.700 -0.311 0.000 2.381 457 N HA 0.044 4.784 4.740 -0.000 0.000 0.241 457 N C -0.514 174.758 175.510 -0.397 0.000 1.279 457 N CA 0.345 53.285 53.050 -0.182 0.000 0.896 457 N CB 0.328 38.817 38.487 0.002 0.000 1.118 457 N HN 0.251 nan 8.380 nan 0.000 0.438 458 F N -0.673 119.201 119.950 -0.126 0.000 2.509 458 F HA 0.787 5.314 4.527 -0.000 0.000 0.334 458 F C 0.830 176.466 175.800 -0.272 0.000 1.060 458 F CA -0.574 57.334 58.000 -0.153 0.000 0.997 458 F CB 1.223 40.174 39.000 -0.081 0.000 1.271 458 F HN 0.750 nan 8.300 nan 0.000 0.488 459 A N 0.398 123.196 122.820 -0.037 0.000 4.056 459 A HA 0.802 5.122 4.320 -0.000 0.000 0.277 459 A C -1.860 175.704 177.584 -0.032 0.000 1.037 459 A CA -0.914 51.035 52.037 -0.148 0.000 0.572 459 A CB 0.918 19.652 19.000 -0.443 0.000 1.685 459 A HN 0.599 nan 8.150 nan 0.000 0.799 460 M N 0.935 120.527 119.600 -0.013 0.000 2.197 460 M HA 0.316 4.796 4.480 -0.000 0.000 0.226 460 M C -0.797 175.500 176.300 -0.004 0.000 0.970 460 M CA -0.115 55.184 55.300 -0.002 0.000 1.036 460 M CB 1.542 34.133 32.600 -0.015 0.000 2.437 460 M HN 0.741 nan 8.290 nan 0.000 0.432 461 E N 2.178 122.363 120.200 -0.025 0.000 2.452 461 E HA 0.367 4.717 4.350 -0.000 0.000 0.261 461 E C -1.002 175.513 176.600 -0.143 0.000 0.987 461 E CA 0.672 56.973 56.400 -0.164 0.000 0.926 461 E CB 1.034 30.622 29.700 -0.187 0.000 0.934 461 E HN 0.585 nan 8.360 nan 0.000 0.452 462 I N 2.616 123.087 120.570 -0.164 0.000 3.784 462 I HA 0.388 4.558 4.170 -0.000 0.000 0.282 462 I C -1.175 174.878 176.117 -0.107 0.000 1.135 462 I CA -0.967 60.266 61.300 -0.112 0.000 1.237 462 I CB 1.965 39.925 38.000 -0.067 0.000 1.324 462 I HN 0.525 nan 8.210 nan 0.000 0.437 463 N N -0.562 118.098 118.700 -0.067 0.000 2.484 463 N HA 0.547 5.287 4.740 -0.000 0.000 0.269 463 N C -1.057 174.437 175.510 -0.027 0.000 1.237 463 N CA -0.434 52.582 53.050 -0.056 0.000 0.838 463 N CB 1.765 40.222 38.487 -0.049 0.000 1.593 463 N HN 0.430 nan 8.380 nan 0.000 0.485 464 L N 0.686 121.891 121.223 -0.030 0.000 2.775 464 L HA 0.459 4.799 4.340 -0.000 0.000 0.175 464 L C 1.329 178.198 176.870 -0.001 0.000 1.110 464 L CA -0.269 54.570 54.840 -0.002 0.000 0.862 464 L CB -0.563 41.499 42.059 0.006 0.000 1.381 464 L HN 0.466 nan 8.230 nan 0.000 0.499 465 N N 1.522 120.198 118.700 -0.040 0.000 2.635 465 N HA -0.053 4.687 4.740 -0.000 0.000 0.191 465 N C 0.940 176.306 175.510 -0.239 0.000 1.155 465 N CA 1.189 54.198 53.050 -0.067 0.000 0.927 465 N CB 0.214 38.653 38.487 -0.080 0.000 0.976 465 N HN 0.443 nan 8.380 nan 0.000 0.448 466 A N -0.196 122.453 122.820 -0.286 0.000 2.603 466 A HA 0.146 4.466 4.320 -0.000 0.000 0.277 466 A C 1.462 179.051 177.584 0.008 0.000 1.158 466 A CA -0.388 51.245 52.037 -0.674 0.000 0.962 466 A CB 0.235 18.926 19.000 -0.516 0.000 1.189 466 A HN 0.073 nan 8.150 nan 0.000 0.552 467 N N 0.352 119.146 118.700 0.156 0.000 2.607 467 N HA 0.019 4.759 4.740 -0.000 0.000 0.207 467 N C 1.500 177.203 175.510 0.322 0.000 1.040 467 N CA 1.468 54.668 53.050 0.250 0.000 0.947 467 N CB -0.233 38.331 38.487 0.130 0.000 1.293 467 N HN 0.315 nan 8.380 nan 0.000 0.446 468 L N -0.020 121.367 121.223 0.273 0.000 2.093 468 L HA 0.092 4.432 4.340 -0.000 0.000 0.208 468 L C 2.420 179.567 176.870 0.462 0.000 1.085 468 L CA 1.021 56.009 54.840 0.247 0.000 0.755 468 L CB -1.509 40.645 42.059 0.159 0.000 0.904 468 L HN 0.249 nan 8.230 nan 0.000 0.435 469 W N 2.464 123.935 121.300 0.285 0.000 2.389 469 W HA -0.188 4.472 4.660 -0.000 0.000 0.267 469 W C 1.990 178.648 176.519 0.230 0.000 1.219 469 W CA 1.557 59.085 57.345 0.306 0.000 1.189 469 W CB -0.808 28.727 29.460 0.126 0.000 1.129 469 W HN 0.320 nan 8.180 nan 0.000 0.581 470 R N 0.770 121.480 120.500 0.350 0.000 2.334 470 R HA 0.010 4.350 4.340 -0.000 0.000 0.212 470 R C 0.876 177.296 176.300 0.200 0.000 0.897 470 R CA 0.647 56.815 56.100 0.114 0.000 1.056 470 R CB -0.117 30.334 30.300 0.251 0.000 1.046 470 R HN -0.001 nan 8.270 nan 0.000 0.513 471 N N -0.481 118.337 118.700 0.196 0.000 2.415 471 N HA 0.046 4.786 4.740 -0.000 0.000 0.174 471 N C 0.920 176.469 175.510 0.065 0.000 1.048 471 N CA 0.547 53.656 53.050 0.099 0.000 0.895 471 N CB -0.087 38.411 38.487 0.018 0.000 1.036 471 N HN 0.038 nan 8.380 nan 0.000 0.449 472 F N 1.463 121.426 119.950 0.022 0.000 2.010 472 F HA -0.093 4.434 4.527 -0.000 0.000 0.296 472 F C 1.243 176.994 175.800 -0.080 0.000 1.146 472 F CA 0.513 58.493 58.000 -0.033 0.000 1.181 472 F CB -0.783 38.187 39.000 -0.050 0.000 0.965 472 F HN -0.054 nan 8.300 nan 0.000 0.480 473 L N -2.476 118.815 121.223 0.113 0.000 2.294 473 L HA -0.047 4.293 4.340 -0.000 0.000 0.203 473 L C 0.982 177.938 176.870 0.143 0.000 1.150 473 L CA -0.397 54.437 54.840 -0.011 0.000 0.847 473 L CB -1.237 40.732 42.059 -0.151 0.000 1.231 473 L HN 0.447 nan 8.230 nan 0.000 0.568 474 Y N -1.609 118.657 120.300 -0.057 0.000 2.716 474 Y HA -0.463 4.087 4.550 -0.000 0.000 0.483 474 Y C 2.584 178.534 175.900 0.082 0.000 1.075 474 Y CA 2.515 60.625 58.100 0.016 0.000 2.997 474 Y CB -2.246 36.229 38.460 0.025 0.000 0.987 474 Y HN 0.918 nan 8.280 nan 0.000 0.578 475 S N 0.714 116.545 115.700 0.218 0.000 2.389 475 S HA -0.282 4.188 4.470 -0.000 0.000 0.229 475 S C 1.444 176.162 174.600 0.196 0.000 1.048 475 S CA 2.509 60.806 58.200 0.161 0.000 1.117 475 S CB -0.677 62.550 63.200 0.044 0.000 1.020 475 S HN 0.754 nan 8.310 nan 0.000 0.430 476 N N -0.272 118.376 118.700 -0.087 0.000 2.422 476 N HA 0.063 4.803 4.740 -0.000 0.000 0.181 476 N C 1.043 176.545 175.510 -0.015 0.000 1.080 476 N CA 0.415 53.428 53.050 -0.062 0.000 0.893 476 N CB 0.041 38.322 38.487 -0.342 0.000 0.973 476 N HN 0.318 nan 8.380 nan 0.000 0.456 477 I N 1.685 122.289 120.570 0.056 0.000 3.716 477 I HA 0.090 4.260 4.170 -0.000 0.000 0.229 477 I C 1.808 178.019 176.117 0.156 0.000 1.022 477 I CA 0.197 61.506 61.300 0.015 0.000 1.503 477 I CB -1.131 36.831 38.000 -0.065 0.000 1.378 477 I HN -0.017 nan 8.210 nan 0.000 0.449 478 A N 0.154 123.091 122.820 0.195 0.000 2.464 478 A HA 0.187 4.507 4.320 -0.000 0.000 0.274 478 A C 1.431 179.240 177.584 0.375 0.000 1.633 478 A CA 1.381 53.539 52.037 0.201 0.000 1.015 478 A CB -0.732 18.348 19.000 0.133 0.000 1.454 478 A HN 0.564 nan 8.150 nan 0.000 0.665 479 L N -4.633 116.776 121.223 0.309 0.000 3.461 479 L HA -0.306 4.034 4.340 -0.000 0.000 0.094 479 L C 0.624 177.541 176.870 0.079 0.000 4.424 479 L CA 1.847 56.787 54.840 0.167 0.000 0.523 479 L CB -2.174 39.963 42.059 0.130 0.000 3.542 479 L HN 0.649 nan 8.230 nan 0.000 0.792 480 Y N 3.689 124.034 120.300 0.076 0.000 2.517 480 Y HA 0.625 5.175 4.550 -0.000 0.000 0.341 480 Y C 0.420 176.335 175.900 0.024 0.000 1.247 480 Y CA 0.262 58.386 58.100 0.040 0.000 1.774 480 Y CB -0.333 38.168 38.460 0.069 0.000 1.641 480 Y HN 0.126 nan 8.280 nan 0.000 0.457 481 L N 3.130 124.410 121.223 0.096 0.000 2.424 481 L HA 0.534 4.874 4.340 -0.000 0.000 0.258 481 L C -2.052 174.823 176.870 0.008 0.000 0.995 481 L CA -2.424 52.449 54.840 0.055 0.000 0.821 481 L CB 2.283 44.363 42.059 0.036 0.000 1.383 481 L HN 0.187 nan 8.230 nan 0.000 0.410 482 P HA -0.233 nan 4.420 nan 0.000 0.294 482 P C -0.404 176.891 177.300 -0.008 0.000 1.852 482 P CA 0.647 63.760 63.100 0.021 0.000 1.597 482 P CB 0.405 32.131 31.700 0.044 0.000 0.545 483 D N -2.814 117.605 120.400 0.032 0.000 2.500 483 D HA 0.026 4.666 4.640 -0.000 0.000 0.217 483 D C 1.410 177.766 176.300 0.094 0.000 1.159 483 D CA -0.180 53.864 54.000 0.073 0.000 0.828 483 D CB 0.067 40.938 40.800 0.119 0.000 1.039 483 D HN 0.200 nan 8.370 nan 0.000 0.512 484 K N 0.369 120.810 120.400 0.068 0.000 2.159 484 K HA 0.037 4.357 4.320 -0.000 0.000 0.210 484 K C 1.937 178.567 176.600 0.051 0.000 1.026 484 K CA 0.233 56.558 56.287 0.063 0.000 0.959 484 K CB -0.258 32.278 32.500 0.059 0.000 0.890 484 K HN 0.106 nan 8.250 nan 0.000 0.459 485 L N 1.897 123.138 121.223 0.030 0.000 2.034 485 L HA -0.246 4.094 4.340 -0.000 0.000 0.217 485 L C 1.901 178.773 176.870 0.005 0.000 1.077 485 L CA 1.345 56.184 54.840 -0.002 0.000 0.769 485 L CB -0.931 41.114 42.059 -0.023 0.000 0.890 485 L HN 0.183 nan 8.230 nan 0.000 0.435 486 K N -0.160 120.276 120.400 0.060 0.000 3.063 486 K HA 0.184 4.504 4.320 -0.000 0.000 0.353 486 K C 0.262 177.077 176.600 0.359 0.000 1.008 486 K CA 0.550 56.947 56.287 0.184 0.000 1.228 486 K CB -0.098 32.505 32.500 0.171 0.000 1.165 486 K HN 0.363 nan 8.250 nan 0.000 0.495 487 Y N -3.603 116.708 120.300 0.017 0.000 2.219 487 Y HA 0.252 4.802 4.550 -0.000 0.000 0.316 487 Y C -0.219 175.726 175.900 0.077 0.000 1.564 487 Y CA -1.166 56.959 58.100 0.040 0.000 1.070 487 Y CB 0.386 38.848 38.460 0.004 0.000 4.408 487 Y HN 0.274 nan 8.280 nan 0.000 0.193 488 S N 2.175 117.672 115.700 -0.338 0.000 2.666 488 S HA 0.613 5.083 4.470 -0.000 0.000 0.279 488 S C -2.607 171.533 174.600 -0.766 0.000 1.149 488 S CA -0.938 57.040 58.200 -0.370 0.000 1.020 488 S CB 0.952 64.066 63.200 -0.144 0.000 1.127 488 S HN 0.475 nan 8.310 nan 0.000 0.537 489 P HA 0.370 nan 4.420 nan 0.000 0.285 489 P C -0.256 176.922 177.300 -0.203 0.000 1.280 489 P CA -0.476 62.427 63.100 -0.328 0.000 0.862 489 P CB 1.218 32.820 31.700 -0.165 0.000 1.153 490 S N 0.529 116.151 115.700 -0.131 0.000 2.607 490 S HA 0.064 4.534 4.470 -0.000 0.000 0.224 490 S C -0.252 174.312 174.600 -0.061 0.000 0.969 490 S CA 0.282 58.424 58.200 -0.097 0.000 0.927 490 S CB -1.168 61.931 63.200 -0.169 0.000 0.772 490 S HN 0.573 nan 8.310 nan 0.000 0.533 491 N N -0.905 117.773 118.700 -0.037 0.000 7.332 491 N HA 0.131 4.871 4.740 -0.000 0.000 0.103 491 N C -1.415 174.102 175.510 0.012 0.000 0.950 491 N CA 0.233 53.286 53.050 0.005 0.000 1.221 491 N CB -0.154 38.366 38.487 0.055 0.000 1.319 491 N HN 0.041 nan 8.380 nan 0.000 1.323 492 V N 1.230 121.142 119.914 -0.004 0.000 3.280 492 V HA 0.596 4.716 4.120 -0.000 0.000 0.281 492 V C -1.051 175.037 176.094 -0.011 0.000 1.850 492 V CA -0.627 61.675 62.300 0.003 0.000 0.990 492 V CB 1.738 33.565 31.823 0.005 0.000 1.195 492 V HN 0.528 nan 8.190 nan 0.000 0.483 493 K N 1.357 121.752 120.400 -0.009 0.000 2.660 493 K HA 0.746 5.066 4.320 -0.000 0.000 0.262 493 K C -0.012 176.567 176.600 -0.035 0.000 0.981 493 K CA -0.009 56.266 56.287 -0.020 0.000 1.532 493 K CB 1.415 33.909 32.500 -0.010 0.000 2.490 493 K HN 1.161 nan 8.250 nan 0.000 0.886 494 I N -1.709 118.838 120.570 -0.039 0.000 1.575 494 I HA -0.144 4.026 4.170 -0.000 0.000 0.313 494 I C -1.647 174.435 176.117 -0.057 0.000 3.163 494 I CA -0.179 61.092 61.300 -0.048 0.000 1.043 494 I CB 0.940 38.917 38.000 -0.039 0.000 2.534 494 I HN 0.610 nan 8.210 nan 0.000 0.693 495 S N 3.025 118.694 115.700 -0.053 0.000 2.642 495 S HA 0.180 4.650 4.470 -0.000 0.000 0.309 495 S C -0.017 174.500 174.600 -0.138 0.000 1.125 495 S CA -0.287 57.876 58.200 -0.063 0.000 1.055 495 S CB -0.272 62.913 63.200 -0.025 0.000 1.157 495 S HN 0.482 nan 8.310 nan 0.000 0.513 496 D N 3.505 123.809 120.400 -0.160 0.000 2.906 496 D HA 0.012 4.652 4.640 -0.000 0.000 0.237 496 D C -0.107 176.033 176.300 -0.267 0.000 1.201 496 D CA 0.408 54.262 54.000 -0.243 0.000 0.998 496 D CB -0.647 40.059 40.800 -0.156 0.000 1.183 496 D HN 0.396 nan 8.370 nan 0.000 0.436 497 N N -0.337 118.187 118.700 -0.295 0.000 2.392 497 N HA 0.234 4.974 4.740 -0.000 0.000 0.283 497 N C -1.729 173.627 175.510 -0.258 0.000 1.003 497 N CA -1.906 51.026 53.050 -0.196 0.000 0.892 497 N CB 1.850 40.293 38.487 -0.074 0.000 1.193 497 N HN -0.219 nan 8.380 nan 0.000 0.487 498 P HA -0.251 nan 4.420 nan 0.000 0.225 498 P C 0.170 177.646 177.300 0.293 0.000 1.154 498 P CA 1.669 64.769 63.100 -0.000 0.000 0.933 498 P CB 0.303 32.017 31.700 0.023 0.000 0.790 499 N N -4.709 114.121 118.700 0.216 0.000 2.075 499 N HA 0.040 4.780 4.740 -0.000 0.000 0.226 499 N C -0.255 175.348 175.510 0.156 0.000 1.343 499 N CA 0.323 53.507 53.050 0.223 0.000 0.881 499 N CB 0.076 38.619 38.487 0.093 0.000 1.100 499 N HN 0.011 nan 8.380 nan 0.000 0.495 500 T N 0.167 114.799 114.554 0.130 0.000 2.616 500 T HA -0.210 4.140 4.350 -0.000 0.000 0.369 500 T C 1.223 176.011 174.700 0.147 0.000 1.022 500 T CA 0.542 62.705 62.100 0.106 0.000 1.135 500 T CB 0.374 69.297 68.868 0.091 0.000 1.063 500 T HN 0.230 nan 8.240 nan 0.000 0.514 501 Y N 0.582 120.871 120.300 -0.018 0.000 2.200 501 Y HA -0.159 4.391 4.550 -0.000 0.000 0.290 501 Y C 2.031 177.899 175.900 -0.053 0.000 1.137 501 Y CA 1.082 59.152 58.100 -0.051 0.000 1.163 501 Y CB 0.070 38.493 38.460 -0.061 0.000 0.988 501 Y HN 0.595 nan 8.280 nan 0.000 0.518 502 D N -0.636 119.854 120.400 0.150 0.000 2.392 502 D HA -0.138 4.502 4.640 -0.000 0.000 0.228 502 D C 0.174 176.527 176.300 0.087 0.000 1.003 502 D CA 0.702 54.712 54.000 0.017 0.000 0.917 502 D CB -0.272 40.509 40.800 -0.031 0.000 0.890 502 D HN 0.394 nan 8.370 nan 0.000 0.532 503 Y N -0.519 119.770 120.300 -0.018 0.000 2.720 503 Y HA 0.440 4.990 4.550 -0.000 0.000 0.268 503 Y C 0.499 176.380 175.900 -0.032 0.000 1.142 503 Y CA -0.198 57.877 58.100 -0.042 0.000 1.193 503 Y CB -0.071 38.370 38.460 -0.032 0.000 1.176 503 Y HN -0.158 nan 8.280 nan 0.000 0.542 504 M N -1.566 117.993 119.600 -0.068 0.000 1.728 504 M HA 0.114 4.594 4.480 -0.000 0.000 0.337 504 M C 1.111 177.382 176.300 -0.047 0.000 0.845 504 M CA 0.168 55.378 55.300 -0.149 0.000 1.132 504 M CB 0.053 32.566 32.600 -0.144 0.000 2.233 504 M HN -0.085 nan 8.290 nan 0.000 0.808 505 N N 2.058 120.796 118.700 0.064 0.000 2.550 505 N HA -0.000 4.740 4.740 -0.000 0.000 0.186 505 N C -0.529 174.886 175.510 -0.158 0.000 1.110 505 N CA 1.001 54.034 53.050 -0.027 0.000 0.912 505 N CB 0.265 38.577 38.487 -0.292 0.000 0.968 505 N HN 0.401 nan 8.380 nan 0.000 0.448 506 K N -0.381 119.930 120.400 -0.148 0.000 3.481 506 K HA 0.243 4.563 4.320 -0.000 0.000 0.166 506 K C -0.780 175.740 176.600 -0.133 0.000 1.032 506 K CA -0.428 55.754 56.287 -0.175 0.000 0.776 506 K CB 1.024 33.347 32.500 -0.295 0.000 0.797 506 K HN -0.185 nan 8.250 nan 0.000 0.516 507 R N 1.811 122.217 120.500 -0.156 0.000 2.310 507 R HA 0.478 4.818 4.340 -0.000 0.000 0.324 507 R C -1.211 175.017 176.300 -0.119 0.000 0.955 507 R CA -0.573 55.405 56.100 -0.202 0.000 0.830 507 R CB 1.829 31.916 30.300 -0.355 0.000 1.154 507 R HN 0.157 nan 8.270 nan 0.000 0.458 508 V N 4.399 124.269 119.914 -0.073 0.000 2.994 508 V HA 0.592 4.712 4.120 -0.000 0.000 0.318 508 V C -0.155 176.037 176.094 0.163 0.000 1.085 508 V CA -0.379 61.932 62.300 0.019 0.000 0.998 508 V CB 2.203 34.038 31.823 0.020 0.000 1.063 508 V HN 0.598 nan 8.190 nan 0.000 0.447 509 V N 3.090 123.093 119.914 0.150 0.000 6.889 509 V HA 1.007 5.127 4.120 -0.000 0.000 0.264 509 V C -1.030 175.096 176.094 0.053 0.000 1.608 509 V CA 0.288 62.662 62.300 0.124 0.000 0.757 509 V CB 1.683 33.530 31.823 0.039 0.000 1.805 509 V HN 1.796 nan 8.190 nan 0.000 0.352 510 A N 1.027 123.853 122.820 0.009 0.000 2.573 510 A HA 0.666 4.986 4.320 -0.000 0.000 0.312 510 A C -3.099 174.492 177.584 0.011 0.000 1.041 510 A CA -0.530 51.511 52.037 0.006 0.000 0.880 510 A CB 0.425 19.384 19.000 -0.069 0.000 1.249 510 A HN 0.535 nan 8.150 nan 0.000 0.385 511 P HA 0.076 nan 4.420 nan 0.000 0.243 511 P C 0.990 178.290 177.300 0.000 0.000 1.107 511 P CA 1.673 64.809 63.100 0.059 0.000 0.848 511 P CB 0.025 31.846 31.700 0.201 0.000 0.771 512 G N 1.991 110.768 108.800 -0.039 0.000 2.532 512 G HA2 0.199 4.159 3.960 -0.000 0.000 0.198 512 G HA3 0.199 4.159 3.960 -0.000 0.000 0.198 512 G C 0.016 174.935 174.900 0.031 0.000 1.301 512 G CA -0.126 44.962 45.100 -0.019 0.000 0.651 512 G HN 0.404 nan 8.290 nan 0.000 0.972 513 L N 1.824 123.036 121.223 -0.019 0.000 2.475 513 L HA 0.465 4.805 4.340 -0.000 0.000 0.253 513 L C -0.339 176.467 176.870 -0.106 0.000 1.483 513 L CA -0.185 54.666 54.840 0.017 0.000 0.869 513 L CB 2.104 44.177 42.059 0.023 0.000 1.086 513 L HN -0.020 nan 8.230 nan 0.000 0.514 514 V N -1.802 117.995 119.914 -0.195 0.000 3.899 514 V HA 0.071 4.191 4.120 -0.000 0.000 0.397 514 V C 0.363 176.248 176.094 -0.348 0.000 1.633 514 V CA -0.178 61.917 62.300 -0.342 0.000 1.575 514 V CB 0.622 32.082 31.823 -0.604 0.000 1.066 514 V HN 0.414 nan 8.190 nan 0.000 0.504 515 D N 0.384 120.660 120.400 -0.206 0.000 2.124 515 D HA 0.160 4.800 4.640 -0.000 0.000 0.286 515 D C 1.349 177.520 176.300 -0.215 0.000 1.130 515 D CA 0.813 54.755 54.000 -0.096 0.000 1.031 515 D CB 0.292 41.240 40.800 0.246 0.000 1.148 515 D HN 0.386 nan 8.370 nan 0.000 0.489 516 C N -1.638 117.585 119.300 -0.127 0.000 2.544 516 C HA 0.070 4.530 4.460 -0.000 0.000 0.475 516 C C 2.437 177.356 174.990 -0.118 0.000 1.360 516 C CA -0.235 58.762 59.018 -0.036 0.000 2.555 516 C CB -1.373 26.734 27.740 0.613 0.000 3.012 516 C HN 0.661 nan 8.230 nan 0.000 0.552 517 Y N 3.264 123.666 120.300 0.171 0.000 2.348 517 Y HA 0.021 4.571 4.550 -0.000 0.000 0.285 517 Y C 0.785 176.713 175.900 0.047 0.000 1.173 517 Y CA 0.338 58.504 58.100 0.109 0.000 1.263 517 Y CB -1.532 36.974 38.460 0.076 0.000 0.974 517 Y HN 0.279 nan 8.280 nan 0.000 0.547 518 I N 2.010 122.146 120.570 -0.723 0.000 2.634 518 I HA -0.062 4.108 4.170 -0.000 0.000 0.284 518 I C 0.792 176.797 176.117 -0.187 0.000 1.124 518 I CA -0.135 60.982 61.300 -0.304 0.000 1.417 518 I CB -0.038 37.786 38.000 -0.293 0.000 1.396 518 I HN 0.129 nan 8.210 nan 0.000 0.571 519 N N 4.652 123.240 118.700 -0.186 0.000 2.823 519 N HA -0.199 4.541 4.740 -0.000 0.000 0.287 519 N C -0.848 174.508 175.510 -0.257 0.000 1.007 519 N CA 0.481 53.327 53.050 -0.341 0.000 0.840 519 N CB -0.474 37.534 38.487 -0.798 0.000 0.944 519 N HN 0.426 nan 8.380 nan 0.000 0.590 520 L N 0.724 121.880 121.223 -0.113 0.000 2.313 520 L HA 0.414 4.754 4.340 -0.000 0.000 0.282 520 L C 1.335 178.183 176.870 -0.037 0.000 1.092 520 L CA 0.213 55.051 54.840 -0.003 0.000 0.831 520 L CB 0.698 42.818 42.059 0.102 0.000 1.159 520 L HN 0.656 nan 8.230 nan 0.000 0.442 521 G N 3.200 111.988 108.800 -0.020 0.000 2.629 521 G HA2 0.219 4.179 3.960 -0.000 0.000 0.154 521 G HA3 0.219 4.179 3.960 -0.000 0.000 0.154 521 G C -0.323 174.522 174.900 -0.091 0.000 1.077 521 G CA -0.309 44.774 45.100 -0.027 0.000 0.831 521 G HN 1.084 nan 8.290 nan 0.000 0.495 522 A N 0.258 123.040 122.820 -0.062 0.000 2.246 522 A HA 0.566 4.886 4.320 -0.000 0.000 0.302 522 A C 0.175 177.813 177.584 0.090 0.000 0.999 522 A CA -0.564 51.455 52.037 -0.030 0.000 0.998 522 A CB 0.487 19.335 19.000 -0.253 0.000 1.183 522 A HN 0.604 nan 8.150 nan 0.000 0.351 523 R N 2.425 122.980 120.500 0.092 0.000 3.072 523 R HA -0.035 4.305 4.340 -0.000 0.000 0.220 523 R C 0.125 176.524 176.300 0.166 0.000 1.627 523 R CA 0.371 56.505 56.100 0.057 0.000 1.079 523 R CB -0.089 30.209 30.300 -0.003 0.000 1.217 523 R HN 0.769 nan 8.270 nan 0.000 0.615 524 W N 0.515 121.737 121.300 -0.131 0.000 1.716 524 W HA 0.049 4.709 4.660 -0.000 0.000 0.389 524 W C -0.112 176.308 176.519 -0.165 0.000 1.745 524 W CA -0.054 57.213 57.345 -0.130 0.000 1.911 524 W CB 1.030 30.419 29.460 -0.119 0.000 1.416 524 W HN 0.141 nan 8.180 nan 0.000 0.750 525 S N 1.404 116.901 115.700 -0.338 0.000 2.388 525 S HA 0.048 4.518 4.470 -0.000 0.000 0.279 525 S C -0.721 173.628 174.600 -0.417 0.000 0.987 525 S CA -0.874 57.117 58.200 -0.347 0.000 0.993 525 S CB 0.017 63.014 63.200 -0.339 0.000 1.207 525 S HN 0.503 nan 8.310 nan 0.000 0.425 526 L N 3.886 124.956 121.223 -0.254 0.000 2.931 526 L HA -0.120 4.220 4.340 -0.000 0.000 0.321 526 L C 0.019 176.794 176.870 -0.159 0.000 1.210 526 L CA 1.010 55.752 54.840 -0.165 0.000 0.856 526 L CB 0.471 42.471 42.059 -0.099 0.000 1.164 526 L HN 0.666 nan 8.230 nan 0.000 0.527 527 D N 5.618 125.974 120.400 -0.072 0.000 2.519 527 D HA 0.021 4.661 4.640 -0.000 0.000 0.238 527 D C -0.115 176.307 176.300 0.204 0.000 1.192 527 D CA 0.692 54.687 54.000 -0.008 0.000 0.835 527 D CB -0.071 40.722 40.800 -0.012 0.000 0.975 527 D HN 0.635 nan 8.370 nan 0.000 0.490 528 Y N -0.749 119.489 120.300 -0.103 0.000 2.888 528 Y HA 0.186 4.736 4.550 -0.000 0.000 0.260 528 Y C 1.604 177.454 175.900 -0.083 0.000 1.113 528 Y CA -0.187 57.871 58.100 -0.069 0.000 1.237 528 Y CB 0.688 39.120 38.460 -0.047 0.000 1.307 528 Y HN -0.104 nan 8.280 nan 0.000 0.580 529 M N -0.525 119.083 119.600 0.014 0.000 2.461 529 M HA 0.110 4.590 4.480 -0.000 0.000 0.255 529 M C 0.135 176.397 176.300 -0.064 0.000 1.137 529 M CA 1.192 56.454 55.300 -0.063 0.000 1.086 529 M CB 0.489 33.019 32.600 -0.118 0.000 1.356 529 M HN 0.068 nan 8.290 nan 0.000 0.487 530 D N 0.153 120.539 120.400 -0.024 0.000 2.349 530 D HA 0.004 4.644 4.640 -0.000 0.000 0.215 530 D C 0.420 176.660 176.300 -0.099 0.000 1.016 530 D CA 0.581 54.634 54.000 0.088 0.000 0.870 530 D CB 0.033 40.909 40.800 0.127 0.000 0.917 530 D HN 0.323 nan 8.370 nan 0.000 0.524 531 N N -0.251 118.394 118.700 -0.092 0.000 2.214 531 N HA 0.216 4.956 4.740 -0.000 0.000 0.214 531 N C -0.865 174.602 175.510 -0.071 0.000 1.132 531 N CA -0.014 52.986 53.050 -0.083 0.000 0.856 531 N CB 1.632 40.051 38.487 -0.113 0.000 1.020 531 N HN -0.077 nan 8.380 nan 0.000 0.509 532 V N -0.206 119.581 119.914 -0.212 0.000 3.155 532 V HA 0.105 4.225 4.120 -0.000 0.000 0.272 532 V C -1.325 174.246 176.094 -0.870 0.000 1.639 532 V CA -1.098 60.923 62.300 -0.466 0.000 1.006 532 V CB 1.598 33.318 31.823 -0.172 0.000 1.244 532 V HN 0.066 nan 8.190 nan 0.000 0.458 533 N N 4.889 122.859 118.700 -1.216 0.000 1.926 533 N HA -0.082 4.658 4.740 -0.000 0.000 0.270 533 N C -2.114 173.265 175.510 -0.218 0.000 1.332 533 N CA 0.461 53.086 53.050 -0.709 0.000 1.065 533 N CB 0.414 38.863 38.487 -0.064 0.000 1.465 533 N HN 0.485 nan 8.380 nan 0.000 0.472 534 P HA 0.154 nan 4.420 nan 0.000 0.258 534 P C 0.206 177.382 177.300 -0.206 0.000 1.416 534 P CA 0.271 63.282 63.100 -0.149 0.000 0.927 534 P CB 0.089 31.733 31.700 -0.094 0.000 1.444 535 F N -1.241 118.687 119.950 -0.038 0.000 2.577 535 F HA 0.218 4.745 4.527 -0.000 0.000 0.276 535 F C 1.104 177.011 175.800 0.179 0.000 1.032 535 F CA -0.353 57.694 58.000 0.079 0.000 1.297 535 F CB -0.335 38.743 39.000 0.130 0.000 1.061 535 F HN -0.320 nan 8.300 nan 0.000 0.680 536 N N 2.281 121.206 118.700 0.375 0.000 2.316 536 N HA -0.042 4.698 4.740 -0.000 0.000 0.296 536 N C -1.039 174.597 175.510 0.211 0.000 1.291 536 N CA 0.885 54.097 53.050 0.269 0.000 1.096 536 N CB -0.899 37.709 38.487 0.202 0.000 1.494 536 N HN 0.432 nan 8.380 nan 0.000 0.486 537 H N -1.730 117.354 119.070 0.024 0.000 2.918 537 H HA 0.251 4.807 4.556 -0.000 0.000 0.303 537 H C 0.837 175.998 175.328 -0.277 0.000 1.380 537 H CA -0.704 55.320 56.048 -0.040 0.000 1.134 537 H CB 0.965 30.654 29.762 -0.122 0.000 1.842 537 H HN 0.302 nan 8.280 nan 0.000 0.533 538 H N 0.598 119.392 119.070 -0.460 0.000 4.214 538 H HA 0.010 4.566 4.556 -0.000 0.000 0.299 538 H C 0.098 175.272 175.328 -0.256 0.000 0.945 538 H CA 0.412 56.094 56.048 -0.609 0.000 0.850 538 H CB -0.143 29.488 29.762 -0.218 0.000 1.942 538 H HN 0.183 nan 8.280 nan 0.000 1.308 539 R N 2.408 122.947 120.500 0.065 0.000 3.892 539 R HA -0.070 4.270 4.340 -0.000 0.000 0.229 539 R C -0.645 175.703 176.300 0.081 0.000 1.090 539 R CA 0.195 56.316 56.100 0.036 0.000 0.947 539 R CB -0.832 29.465 30.300 -0.005 0.000 1.041 539 R HN 0.368 nan 8.270 nan 0.000 0.437 540 N N 0.020 118.788 118.700 0.113 0.000 2.581 540 N HA 0.159 4.899 4.740 -0.000 0.000 0.279 540 N C -0.841 174.735 175.510 0.110 0.000 1.124 540 N CA -0.215 52.961 53.050 0.211 0.000 0.833 540 N CB 1.517 40.113 38.487 0.180 0.000 1.338 540 N HN 0.428 nan 8.380 nan 0.000 0.533 541 A N 2.042 124.900 122.820 0.062 0.000 3.196 541 A HA 0.403 4.723 4.320 -0.000 0.000 0.275 541 A C 1.216 178.862 177.584 0.103 0.000 2.036 541 A CA 1.191 53.229 52.037 0.001 0.000 1.503 541 A CB -1.136 17.862 19.000 -0.003 0.000 0.918 541 A HN 0.822 nan 8.150 nan 0.000 0.599 542 G N -0.595 108.303 108.800 0.162 0.000 4.169 542 G HA2 0.107 4.067 3.960 -0.000 0.000 0.120 542 G HA3 0.107 4.067 3.960 -0.000 0.000 0.120 542 G C 0.594 175.613 174.900 0.198 0.000 1.133 542 G CA 0.122 45.354 45.100 0.219 0.000 1.098 542 G HN 0.362 nan 8.290 nan 0.000 0.379 543 L N 1.545 122.861 121.223 0.154 0.000 2.362 543 L HA 0.286 4.626 4.340 -0.000 0.000 0.219 543 L C 2.273 179.209 176.870 0.111 0.000 1.134 543 L CA 1.439 56.363 54.840 0.140 0.000 0.807 543 L CB -0.179 41.951 42.059 0.118 0.000 0.927 543 L HN 0.354 nan 8.230 nan 0.000 0.447 544 R N -1.877 118.681 120.500 0.098 0.000 2.426 544 R HA 0.055 4.394 4.340 -0.000 0.000 0.263 544 R C 1.024 177.409 176.300 0.142 0.000 0.961 544 R CA 0.360 56.502 56.100 0.070 0.000 1.086 544 R CB 0.090 30.402 30.300 0.020 0.000 1.186 544 R HN 0.447 nan 8.270 nan 0.000 0.537 545 Y N -1.699 118.603 120.300 0.003 0.000 2.689 545 Y HA 0.196 4.746 4.550 -0.000 0.000 0.265 545 Y C 1.478 177.375 175.900 -0.004 0.000 1.175 545 Y CA -0.587 57.490 58.100 -0.037 0.000 1.120 545 Y CB 0.608 39.026 38.460 -0.070 0.000 1.356 545 Y HN -0.014 nan 8.280 nan 0.000 0.505 546 R N 0.205 120.797 120.500 0.154 0.000 2.189 546 R HA -0.112 4.228 4.340 -0.000 0.000 0.223 546 R C 1.911 178.271 176.300 0.100 0.000 1.092 546 R CA 1.700 57.853 56.100 0.087 0.000 0.989 546 R CB 0.025 30.408 30.300 0.139 0.000 0.876 546 R HN 0.193 nan 8.270 nan 0.000 0.457 547 S N -1.314 114.471 115.700 0.142 0.000 2.578 547 S HA 0.127 4.597 4.470 -0.000 0.000 0.228 547 S C 1.238 175.932 174.600 0.155 0.000 1.022 547 S CA -0.369 57.929 58.200 0.163 0.000 0.967 547 S CB 0.419 63.761 63.200 0.238 0.000 0.914 547 S HN 0.079 nan 8.310 nan 0.000 0.515 548 M N 1.943 121.632 119.600 0.149 0.000 2.979 548 M HA 0.233 4.713 4.480 -0.000 0.000 0.192 548 M C -0.258 176.094 176.300 0.087 0.000 1.179 548 M CA 0.489 55.873 55.300 0.141 0.000 1.165 548 M CB -0.910 31.806 32.600 0.194 0.000 1.756 548 M HN 0.491 nan 8.290 nan 0.000 0.447 549 L N -2.342 118.925 121.223 0.072 0.000 3.209 549 L HA 0.339 4.679 4.340 -0.000 0.000 0.226 549 L C 0.897 177.791 176.870 0.040 0.000 1.215 549 L CA -0.062 54.796 54.840 0.030 0.000 1.507 549 L CB -0.239 41.798 42.059 -0.037 0.000 1.630 549 L HN 0.319 nan 8.230 nan 0.000 0.490 550 L N -1.044 120.178 121.223 -0.001 0.000 3.940 550 L HA -0.287 4.053 4.340 -0.000 0.000 0.393 550 L C 0.976 177.855 176.870 0.016 0.000 3.801 550 L CA 1.402 56.237 54.840 -0.009 0.000 1.257 550 L CB -2.344 39.702 42.059 -0.021 0.000 3.043 550 L HN 1.057 nan 8.230 nan 0.000 0.646 551 G N -0.850 107.978 108.800 0.048 0.000 2.384 551 G HA2 0.139 4.099 3.960 -0.000 0.000 0.113 551 G HA3 0.139 4.099 3.960 -0.000 0.000 0.113 551 G C -1.443 173.535 174.900 0.129 0.000 1.224 551 G CA 0.010 45.151 45.100 0.067 0.000 1.126 551 G HN 0.405 nan 8.290 nan 0.000 0.461 552 N N 0.729 119.514 118.700 0.143 0.000 2.969 552 N HA 0.484 5.224 4.740 -0.000 0.000 0.230 552 N C 0.106 175.769 175.510 0.255 0.000 1.397 552 N CA 0.127 53.363 53.050 0.309 0.000 0.762 552 N CB 1.627 40.270 38.487 0.260 0.000 1.495 552 N HN 1.644 nan 8.380 nan 0.000 0.583 553 G N 1.382 110.247 108.800 0.109 0.000 2.294 553 G HA2 0.086 4.046 3.960 -0.000 0.000 0.061 553 G HA3 0.086 4.046 3.960 -0.000 0.000 0.061 553 G C -0.115 174.666 174.900 -0.199 0.000 0.835 553 G CA -0.076 45.053 45.100 0.049 0.000 1.182 553 G HN 0.395 nan 8.290 nan 0.000 0.449 554 R N -2.097 118.325 120.500 -0.130 0.000 4.061 554 R HA 0.199 4.539 4.340 -0.000 0.000 0.064 554 R C -0.276 176.039 176.300 0.026 0.000 0.748 554 R CA -0.343 55.678 56.100 -0.133 0.000 2.017 554 R CB 0.541 30.743 30.300 -0.164 0.000 1.493 554 R HN 0.226 nan 8.270 nan 0.000 0.437 555 Y N 2.940 123.201 120.300 -0.065 0.000 2.697 555 Y HA 0.222 4.772 4.550 -0.000 0.000 0.349 555 Y C 0.014 175.894 175.900 -0.032 0.000 1.120 555 Y CA -0.548 57.526 58.100 -0.045 0.000 1.468 555 Y CB 0.754 39.198 38.460 -0.027 0.000 1.182 555 Y HN -0.081 nan 8.280 nan 0.000 0.525 556 V N 6.508 126.487 119.914 0.107 0.000 3.138 556 V HA 0.120 4.240 4.120 -0.000 0.000 0.307 556 V C -2.401 173.748 176.094 0.091 0.000 0.985 556 V CA -1.584 60.757 62.300 0.068 0.000 1.291 556 V CB 1.252 33.099 31.823 0.040 0.000 0.933 556 V HN 0.504 nan 8.190 nan 0.000 0.504 557 P HA -0.094 nan 4.420 nan 0.000 0.225 557 P C 0.750 178.240 177.300 0.316 0.000 1.054 557 P CA 0.584 63.789 63.100 0.176 0.000 1.244 557 P CB -0.509 31.236 31.700 0.074 0.000 1.310 558 F N 1.700 121.670 119.950 0.032 0.000 2.717 558 F HA 0.048 4.575 4.527 -0.000 0.000 0.281 558 F C 0.810 176.703 175.800 0.155 0.000 1.181 558 F CA -0.405 57.634 58.000 0.066 0.000 1.295 558 F CB 0.117 39.140 39.000 0.038 0.000 1.150 558 F HN 0.391 nan 8.300 nan 0.000 0.582 559 H N 0.389 119.412 119.070 -0.078 0.000 3.027 559 H HA 0.333 4.889 4.556 -0.000 0.000 0.290 559 H C -1.924 173.376 175.328 -0.048 0.000 1.190 559 H CA -0.701 55.245 56.048 -0.171 0.000 1.637 559 H CB 0.343 30.057 29.762 -0.081 0.000 2.214 559 H HN 0.766 nan 8.280 nan 0.000 0.451 560 I N 1.977 122.339 120.570 -0.347 0.000 3.814 560 I HA 0.461 4.631 4.170 -0.000 0.000 0.268 560 I C -0.821 175.095 176.117 -0.335 0.000 1.133 560 I CA -1.250 59.864 61.300 -0.308 0.000 1.236 560 I CB 1.402 39.340 38.000 -0.104 0.000 1.379 560 I HN 0.528 nan 8.210 nan 0.000 0.463 561 Q N 1.106 120.622 119.800 -0.472 0.000 4.231 561 Q HA 0.226 4.566 4.340 -0.000 0.000 0.149 561 Q C -1.532 173.722 176.000 -1.243 0.000 0.852 561 Q CA -0.064 55.191 55.803 -0.912 0.000 0.789 561 Q CB 1.310 29.204 28.738 -1.408 0.000 1.531 561 Q HN 0.471 nan 8.270 nan 0.000 0.456 562 V N 1.416 120.840 119.914 -0.817 0.000 2.485 562 V HA 0.168 4.288 4.120 -0.000 0.000 0.287 562 V C -1.451 174.230 176.094 -0.689 0.000 1.022 562 V CA -0.916 60.920 62.300 -0.774 0.000 1.067 562 V CB -0.332 31.405 31.823 -0.144 0.000 0.967 562 V HN 0.392 nan 8.190 nan 0.000 0.479 563 P HA 0.046 nan 4.420 nan 0.000 0.239 563 P C -0.265 176.812 177.300 -0.373 0.000 1.302 563 P CA 0.331 63.137 63.100 -0.490 0.000 0.676 563 P CB 0.396 31.695 31.700 -0.668 0.000 1.093 564 Q N -2.060 117.584 119.800 -0.261 0.000 2.872 564 Q HA 0.225 4.565 4.340 -0.000 0.000 0.221 564 Q C -1.436 174.546 176.000 -0.030 0.000 0.998 564 Q CA -0.542 55.206 55.803 -0.093 0.000 1.078 564 Q CB 1.367 30.089 28.738 -0.028 0.000 1.890 564 Q HN 0.275 nan 8.270 nan 0.000 0.512 565 K N 2.401 122.851 120.400 0.083 0.000 2.656 565 K HA 0.624 4.944 4.320 -0.000 0.000 0.241 565 K C -1.540 175.283 176.600 0.372 0.000 0.967 565 K CA -0.481 55.930 56.287 0.206 0.000 0.946 565 K CB 1.495 34.108 32.500 0.188 0.000 1.164 565 K HN 0.382 nan 8.250 nan 0.000 0.459 566 F N 2.649 122.677 119.950 0.131 0.000 3.205 566 F HA 0.540 5.067 4.527 -0.000 0.000 0.336 566 F C -1.242 174.609 175.800 0.086 0.000 1.255 566 F CA -1.901 56.138 58.000 0.066 0.000 0.998 566 F CB 0.957 39.921 39.000 -0.061 0.000 1.531 566 F HN 0.350 nan 8.300 nan 0.000 0.521 567 F N 0.961 120.139 119.950 -1.286 0.000 2.928 567 F HA 0.777 5.304 4.527 -0.000 0.000 0.337 567 F C -0.093 175.155 175.800 -0.919 0.000 1.259 567 F CA 0.291 57.748 58.000 -0.905 0.000 1.267 567 F CB 0.427 39.013 39.000 -0.690 0.000 0.986 567 F HN 0.543 nan 8.300 nan 0.000 0.507 568 A N 1.075 123.471 122.820 -0.708 0.000 2.400 568 A HA 0.048 4.368 4.320 -0.000 0.000 0.216 568 A C 0.959 178.310 177.584 -0.389 0.000 2.857 568 A CA 0.392 51.912 52.037 -0.861 0.000 1.527 568 A CB -1.344 17.228 19.000 -0.713 0.000 0.336 568 A HN 0.589 nan 8.150 nan 0.000 0.532 569 I N -0.440 120.041 120.570 -0.148 0.000 3.428 569 I HA 0.142 4.312 4.170 -0.000 0.000 0.286 569 I C 1.602 177.682 176.117 -0.062 0.000 1.287 569 I CA 1.392 62.682 61.300 -0.017 0.000 1.396 569 I CB -0.110 37.948 38.000 0.096 0.000 1.062 569 I HN 0.226 nan 8.210 nan 0.000 0.471 570 K N 1.036 121.364 120.400 -0.120 0.000 2.005 570 K HA 0.039 4.359 4.320 -0.000 0.000 0.214 570 K C 0.365 176.914 176.600 -0.085 0.000 1.030 570 K CA 0.538 56.765 56.287 -0.100 0.000 0.955 570 K CB -1.069 31.375 32.500 -0.094 0.000 0.767 570 K HN 0.295 nan 8.250 nan 0.000 0.446 571 N N 1.580 120.224 118.700 -0.093 0.000 2.448 571 N HA 0.121 4.861 4.740 -0.000 0.000 0.250 571 N C -1.291 174.286 175.510 0.110 0.000 1.136 571 N CA -0.028 53.038 53.050 0.027 0.000 0.953 571 N CB 0.164 38.727 38.487 0.126 0.000 1.251 571 N HN 0.056 nan 8.380 nan 0.000 0.502 572 L N 3.957 125.233 121.223 0.087 0.000 3.688 572 L HA 0.235 4.575 4.340 -0.000 0.000 0.258 572 L C -1.564 175.341 176.870 0.059 0.000 0.993 572 L CA -0.346 54.570 54.840 0.127 0.000 1.283 572 L CB 0.594 42.711 42.059 0.098 0.000 1.960 572 L HN 0.163 nan 8.230 nan 0.000 0.652 573 L N 4.209 125.468 121.223 0.060 0.000 2.448 573 L HA 0.729 5.069 4.340 -0.000 0.000 0.258 573 L C -0.500 176.388 176.870 0.030 0.000 1.104 573 L CA -0.699 54.157 54.840 0.026 0.000 0.800 573 L CB 0.576 42.654 42.059 0.032 0.000 1.241 573 L HN 0.266 nan 8.230 nan 0.000 0.472 574 L N 1.917 123.150 121.223 0.016 0.000 2.372 574 L HA 0.465 4.805 4.340 -0.000 0.000 0.273 574 L C -0.168 176.737 176.870 0.058 0.000 0.989 574 L CA -0.432 54.424 54.840 0.027 0.000 0.841 574 L CB 0.950 43.006 42.059 -0.005 0.000 1.225 574 L HN 0.521 nan 8.230 nan 0.000 0.414 575 L N 4.853 126.123 121.223 0.077 0.000 2.503 575 L HA 0.075 4.415 4.340 -0.000 0.000 0.287 575 L C -1.599 175.348 176.870 0.127 0.000 1.252 575 L CA -0.325 54.575 54.840 0.099 0.000 0.835 575 L CB 0.210 42.333 42.059 0.106 0.000 1.099 575 L HN 0.418 nan 8.230 nan 0.000 0.516 576 P HA 0.202 nan 4.420 nan 0.000 0.272 576 P C -0.268 177.130 177.300 0.164 0.000 1.248 576 P CA 0.195 63.365 63.100 0.117 0.000 0.799 576 P CB 0.551 32.295 31.700 0.074 0.000 0.997 577 G N -1.768 107.111 108.800 0.133 0.000 2.565 577 G HA2 0.466 4.426 3.960 -0.000 0.000 0.142 577 G HA3 0.466 4.426 3.960 -0.000 0.000 0.142 577 G C -1.211 173.616 174.900 -0.121 0.000 1.181 577 G CA -0.077 45.060 45.100 0.062 0.000 1.066 577 G HN 0.565 nan 8.290 nan 0.000 0.530 578 S N -0.675 114.786 115.700 -0.398 0.000 2.286 578 S HA 0.473 4.943 4.470 -0.000 0.000 0.228 578 S C -1.449 172.845 174.600 -0.510 0.000 0.668 578 S CA -0.553 57.470 58.200 -0.294 0.000 0.856 578 S CB -0.842 62.231 63.200 -0.210 0.000 1.333 578 S HN 0.721 nan 8.310 nan 0.000 0.406 579 Y N 1.080 121.383 120.300 0.004 0.000 3.338 579 Y HA 0.845 5.395 4.550 -0.000 0.000 0.293 579 Y C 0.896 176.812 175.900 0.027 0.000 1.809 579 Y CA -0.148 57.964 58.100 0.021 0.000 0.882 579 Y CB 0.423 38.904 38.460 0.035 0.000 1.367 579 Y HN 0.507 nan 8.280 nan 0.000 0.672 580 T N -2.365 112.363 114.554 0.290 0.000 2.775 580 T HA 0.468 4.818 4.350 -0.000 0.000 0.320 580 T C -1.769 173.095 174.700 0.274 0.000 1.597 580 T CA -0.874 61.355 62.100 0.215 0.000 1.022 580 T CB 1.962 70.923 68.868 0.155 0.000 1.485 580 T HN 0.665 nan 8.240 nan 0.000 0.494 581 Y N 0.461 120.851 120.300 0.150 0.000 2.974 581 Y HA 0.738 5.288 4.550 -0.000 0.000 0.310 581 Y C -1.601 174.382 175.900 0.137 0.000 1.526 581 Y CA -0.413 57.794 58.100 0.178 0.000 1.087 581 Y CB 1.730 40.369 38.460 0.298 0.000 1.404 581 Y HN 1.256 nan 8.280 nan 0.000 0.491 582 E N 0.919 121.054 120.200 -0.109 0.000 4.095 582 E HA 0.088 4.438 4.350 -0.000 0.000 0.346 582 E C -2.552 173.814 176.600 -0.390 0.000 1.119 582 E CA -0.595 55.732 56.400 -0.122 0.000 0.871 582 E CB -0.351 29.256 29.700 -0.154 0.000 1.129 582 E HN 0.726 nan 8.360 nan 0.000 0.559 583 W N 3.676 124.646 121.300 -0.549 0.000 2.967 583 W HA 0.542 5.202 4.660 -0.000 0.000 0.342 583 W C -0.870 175.025 176.519 -1.040 0.000 1.162 583 W CA -0.968 55.906 57.345 -0.785 0.000 1.085 583 W CB 2.196 31.256 29.460 -0.668 0.000 1.460 583 W HN 0.594 nan 8.180 nan 0.000 0.584 584 N N 2.891 120.840 118.700 -1.252 0.000 2.564 584 N HA 0.260 5.000 4.740 -0.000 0.000 0.248 584 N C -0.897 174.416 175.510 -0.328 0.000 0.986 584 N CA -0.140 52.462 53.050 -0.748 0.000 0.921 584 N CB 0.805 38.939 38.487 -0.587 0.000 1.136 584 N HN 0.087 nan 8.380 nan 0.000 0.509 585 F N 1.021 120.997 119.950 0.044 0.000 2.635 585 F HA 0.605 5.132 4.527 -0.000 0.000 0.362 585 F C 0.806 176.660 175.800 0.091 0.000 1.182 585 F CA -0.833 57.201 58.000 0.057 0.000 1.119 585 F CB 0.765 39.694 39.000 -0.118 0.000 1.713 585 F HN 0.132 nan 8.300 nan 0.000 0.512 586 R N -0.836 119.883 120.500 0.366 0.000 2.844 586 R HA 0.393 4.733 4.340 -0.000 0.000 0.264 586 R C -1.089 175.483 176.300 0.453 0.000 1.077 586 R CA -0.800 55.483 56.100 0.306 0.000 0.953 586 R CB 1.675 32.079 30.300 0.173 0.000 1.272 586 R HN 0.463 nan 8.270 nan 0.000 0.447 587 K N -0.356 120.230 120.400 0.311 0.000 2.501 587 K HA 0.239 4.559 4.320 -0.000 0.000 0.204 587 K C -0.655 176.026 176.600 0.135 0.000 1.067 587 K CA -0.269 56.171 56.287 0.254 0.000 1.060 587 K CB 0.877 33.489 32.500 0.188 0.000 0.873 587 K HN 0.369 nan 8.250 nan 0.000 0.540 588 D N 0.244 120.720 120.400 0.127 0.000 2.371 588 D HA 0.120 4.760 4.640 -0.000 0.000 0.242 588 D C 0.893 177.259 176.300 0.110 0.000 1.218 588 D CA 0.126 54.180 54.000 0.090 0.000 0.945 588 D CB 1.621 42.451 40.800 0.050 0.000 1.137 588 D HN -0.198 nan 8.370 nan 0.000 0.464 589 V N 0.760 120.746 119.914 0.120 0.000 3.157 589 V HA -0.010 4.109 4.120 -0.000 0.000 0.253 589 V C 1.426 177.597 176.094 0.128 0.000 1.637 589 V CA -0.223 62.141 62.300 0.107 0.000 1.058 589 V CB -0.172 31.696 31.823 0.075 0.000 0.917 589 V HN 0.360 nan 8.190 nan 0.000 0.417 590 N N 2.268 121.079 118.700 0.184 0.000 2.054 590 N HA -0.100 4.640 4.740 -0.000 0.000 0.193 590 N C 1.673 177.375 175.510 0.320 0.000 1.066 590 N CA 2.492 55.678 53.050 0.227 0.000 0.853 590 N CB -0.303 38.386 38.487 0.336 0.000 1.048 590 N HN 0.577 nan 8.380 nan 0.000 0.431 591 M N 0.424 120.290 119.600 0.443 0.000 2.686 591 M HA 0.221 4.701 4.480 -0.000 0.000 0.216 591 M C 0.020 176.435 176.300 0.192 0.000 1.221 591 M CA 0.253 55.786 55.300 0.388 0.000 0.992 591 M CB 0.302 33.101 32.600 0.332 0.000 1.739 591 M HN 0.048 nan 8.290 nan 0.000 0.461 592 V N -2.014 117.990 119.914 0.150 0.000 3.070 592 V HA 0.552 4.672 4.120 -0.000 0.000 0.355 592 V C -0.434 175.682 176.094 0.037 0.000 1.400 592 V CA -0.339 62.003 62.300 0.070 0.000 1.170 592 V CB -0.358 31.513 31.823 0.079 0.000 1.169 592 V HN 0.639 nan 8.190 nan 0.000 0.554 593 L N -0.877 120.372 121.223 0.044 0.000 2.736 593 L HA 0.588 4.928 4.340 -0.000 0.000 0.273 593 L C -0.636 176.252 176.870 0.031 0.000 0.901 593 L CA -0.297 54.556 54.840 0.022 0.000 1.094 593 L CB 1.766 43.880 42.059 0.091 0.000 1.628 593 L HN 0.300 nan 8.230 nan 0.000 0.345 594 Q N -1.007 118.817 119.800 0.039 0.000 3.111 594 Q HA 0.742 5.082 4.340 -0.000 0.000 0.372 594 Q C -1.763 174.236 176.000 -0.003 0.000 0.781 594 Q CA 0.059 55.873 55.803 0.019 0.000 0.866 594 Q CB 2.178 30.954 28.738 0.063 0.000 1.351 594 Q HN 0.630 nan 8.270 nan 0.000 0.453 595 S N -1.915 113.793 115.700 0.014 0.000 2.686 595 S HA -0.032 4.438 4.470 -0.000 0.000 0.271 595 S C 0.114 174.710 174.600 -0.007 0.000 0.709 595 S CA 0.243 58.446 58.200 0.005 0.000 1.213 595 S CB -0.619 62.531 63.200 -0.084 0.000 1.505 595 S HN 0.630 nan 8.310 nan 0.000 0.485 596 S N 0.732 116.452 115.700 0.034 0.000 2.433 596 S HA -0.245 4.225 4.470 -0.000 0.000 0.276 596 S C 1.572 176.186 174.600 0.023 0.000 1.122 596 S CA 2.732 61.001 58.200 0.115 0.000 1.277 596 S CB -0.663 62.587 63.200 0.083 0.000 1.198 596 S HN 0.662 nan 8.310 nan 0.000 0.440 597 L N -0.986 120.169 121.223 -0.113 0.000 2.547 597 L HA 0.413 4.753 4.340 -0.000 0.000 0.218 597 L C 0.929 177.459 176.870 -0.567 0.000 1.048 597 L CA 0.577 55.295 54.840 -0.204 0.000 0.859 597 L CB -0.387 41.611 42.059 -0.102 0.000 1.128 597 L HN 0.513 nan 8.230 nan 0.000 0.483 598 G N 1.510 110.031 108.800 -0.463 0.000 3.307 598 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.686 598 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.686 598 G C -0.623 173.990 174.900 -0.478 0.000 0.983 598 G CA -0.027 44.779 45.100 -0.489 0.000 0.804 598 G HN 0.380 nan 8.290 nan 0.000 0.531 599 N N 0.583 119.102 118.700 -0.301 0.000 3.550 599 N HA 0.421 5.161 4.740 -0.000 0.000 0.357 599 N C -0.252 175.160 175.510 -0.162 0.000 1.585 599 N CA -0.416 52.499 53.050 -0.225 0.000 0.651 599 N CB 0.319 38.703 38.487 -0.171 0.000 2.273 599 N HN 0.281 nan 8.380 nan 0.000 0.631 600 D N 0.767 121.107 120.400 -0.100 0.000 2.911 600 D HA 0.097 4.737 4.640 -0.000 0.000 0.233 600 D C 0.658 176.962 176.300 0.007 0.000 1.134 600 D CA -0.071 53.904 54.000 -0.041 0.000 1.011 600 D CB -1.088 39.706 40.800 -0.009 0.000 1.174 600 D HN 0.358 nan 8.370 nan 0.000 0.440 601 L N 0.285 121.508 121.223 0.000 0.000 2.955 601 L HA -0.045 4.295 4.340 -0.000 0.000 0.260 601 L C 1.774 178.680 176.870 0.060 0.000 1.146 601 L CA 0.439 55.297 54.840 0.030 0.000 0.905 601 L CB -0.416 41.655 42.059 0.021 0.000 1.136 601 L HN 0.057 nan 8.230 nan 0.000 0.438 602 R N 0.033 120.578 120.500 0.075 0.000 2.308 602 R HA 0.087 4.427 4.340 -0.000 0.000 0.202 602 R C 0.541 176.881 176.300 0.067 0.000 0.898 602 R CA 0.136 56.294 56.100 0.096 0.000 1.046 602 R CB 0.783 31.172 30.300 0.148 0.000 1.026 602 R HN 0.316 nan 8.270 nan 0.000 0.512 603 V N -2.042 117.903 119.914 0.053 0.000 2.468 603 V HA 0.434 4.554 4.120 -0.000 0.000 0.256 603 V C -0.862 175.255 176.094 0.039 0.000 0.998 603 V CA -0.467 61.857 62.300 0.040 0.000 1.114 603 V CB 1.124 32.969 31.823 0.038 0.000 1.378 603 V HN -0.065 nan 8.190 nan 0.000 0.573 604 D N 1.554 121.976 120.400 0.036 0.000 2.936 604 D HA 0.426 5.066 4.640 -0.000 0.000 0.297 604 D C 0.847 177.158 176.300 0.019 0.000 1.677 604 D CA 0.811 54.836 54.000 0.041 0.000 0.821 604 D CB 0.783 41.626 40.800 0.071 0.000 1.358 604 D HN 1.069 nan 8.370 nan 0.000 0.448 605 G N 0.730 109.534 108.800 0.008 0.000 3.044 605 G HA2 0.270 4.230 3.960 -0.000 0.000 0.648 605 G HA3 0.270 4.230 3.960 -0.000 0.000 0.648 605 G C 0.585 175.476 174.900 -0.015 0.000 1.620 605 G CA -0.185 44.911 45.100 -0.007 0.000 1.109 605 G HN 1.215 nan 8.290 nan 0.000 0.587 606 A N -0.232 122.571 122.820 -0.029 0.000 2.361 606 A HA 0.406 4.726 4.320 -0.000 0.000 0.222 606 A C 0.677 178.209 177.584 -0.087 0.000 2.888 606 A CA 1.051 53.053 52.037 -0.059 0.000 1.645 606 A CB -0.891 18.087 19.000 -0.036 0.000 0.168 606 A HN 2.170 nan 8.150 nan 0.000 0.609 607 S N 0.975 116.637 115.700 -0.064 0.000 2.808 607 S HA 0.243 4.713 4.470 -0.000 0.000 0.342 607 S C 0.156 174.661 174.600 -0.157 0.000 1.154 607 S CA 0.764 58.916 58.200 -0.080 0.000 1.476 607 S CB -0.870 62.308 63.200 -0.037 0.000 1.290 607 S HN 0.394 nan 8.310 nan 0.000 0.582 608 I N 5.245 125.671 120.570 -0.239 0.000 2.362 608 I HA 0.364 4.534 4.170 -0.000 0.000 0.289 608 I C -0.120 175.661 176.117 -0.560 0.000 0.994 608 I CA -0.487 60.553 61.300 -0.432 0.000 1.158 608 I CB 1.304 38.969 38.000 -0.559 0.000 1.315 608 I HN 0.311 nan 8.210 nan 0.000 0.451 609 K N 7.436 127.530 120.400 -0.510 0.000 2.604 609 K HA 0.442 4.762 4.320 -0.000 0.000 0.247 609 K C -1.322 175.085 176.600 -0.320 0.000 0.956 609 K CA -0.544 55.468 56.287 -0.459 0.000 0.896 609 K CB 1.168 33.547 32.500 -0.202 0.000 1.131 609 K HN 0.350 nan 8.250 nan 0.000 0.440 610 F N 2.721 122.709 119.950 0.063 0.000 2.390 610 F HA 0.165 4.692 4.527 -0.000 0.000 0.361 610 F C 1.127 176.916 175.800 -0.018 0.000 1.124 610 F CA -0.851 57.211 58.000 0.103 0.000 1.149 610 F CB 0.524 39.642 39.000 0.198 0.000 1.160 610 F HN 0.530 nan 8.300 nan 0.000 0.501 611 D N 1.279 121.775 120.400 0.160 0.000 2.129 611 D HA -0.064 4.576 4.640 -0.000 0.000 0.220 611 D C 0.470 176.838 176.300 0.114 0.000 0.988 611 D CA 0.313 54.368 54.000 0.092 0.000 0.904 611 D CB -0.481 40.352 40.800 0.054 0.000 1.018 611 D HN 0.430 nan 8.370 nan 0.000 0.444 612 S N -0.563 115.189 115.700 0.086 0.000 2.601 612 S HA 0.431 4.901 4.470 -0.000 0.000 0.271 612 S C 0.512 175.140 174.600 0.048 0.000 1.305 612 S CA -0.562 57.675 58.200 0.061 0.000 1.022 612 S CB 1.415 64.638 63.200 0.038 0.000 0.940 612 S HN 0.398 nan 8.310 nan 0.000 0.525 613 I N 0.614 121.190 120.570 0.010 0.000 3.100 613 I HA 0.423 4.593 4.170 -0.000 0.000 0.289 613 I C -1.261 174.822 176.117 -0.057 0.000 0.842 613 I CA -0.067 61.200 61.300 -0.054 0.000 2.545 613 I CB 0.849 38.782 38.000 -0.112 0.000 1.614 613 I HN 0.754 nan 8.210 nan 0.000 0.481 614 C N 0.719 119.950 119.300 -0.114 0.000 0.169 614 C HA 0.201 4.661 4.460 -0.000 0.000 0.017 614 C C -0.958 173.834 174.990 -0.330 0.000 0.171 614 C CA -1.069 57.816 59.018 -0.221 0.000 0.499 614 C CB -1.591 26.010 27.740 -0.232 0.000 3.212 614 C HN 0.752 nan 8.230 nan 0.000 1.118 615 L N 2.203 123.145 121.223 -0.469 0.000 2.482 615 L HA 0.982 5.322 4.340 -0.000 0.000 0.263 615 L C -1.155 175.550 176.870 -0.275 0.000 0.957 615 L CA -0.130 54.650 54.840 -0.100 0.000 0.836 615 L CB 1.560 43.919 42.059 0.499 0.000 1.324 615 L HN 0.929 nan 8.230 nan 0.000 0.406 616 Y N 2.590 123.068 120.300 0.296 0.000 2.764 616 Y HA 0.982 5.532 4.550 -0.000 0.000 0.331 616 Y C -0.245 175.735 175.900 0.134 0.000 1.280 616 Y CA -0.593 57.645 58.100 0.229 0.000 1.065 616 Y CB 0.722 39.309 38.460 0.211 0.000 1.319 616 Y HN 0.811 nan 8.280 nan 0.000 0.453 617 A N -0.482 122.521 122.820 0.305 0.000 3.136 617 A HA 0.797 5.117 4.320 -0.000 0.000 0.299 617 A C -0.933 176.697 177.584 0.077 0.000 1.197 617 A CA -0.192 51.904 52.037 0.099 0.000 0.640 617 A CB 1.054 20.046 19.000 -0.013 0.000 1.440 617 A HN 0.769 nan 8.150 nan 0.000 0.614 618 T N -0.931 113.576 114.554 -0.077 0.000 2.922 618 T HA 0.764 5.114 4.350 -0.000 0.000 0.281 618 T C -1.768 172.800 174.700 -0.219 0.000 1.005 618 T CA -0.156 61.918 62.100 -0.044 0.000 0.982 618 T CB 0.390 69.210 68.868 -0.080 0.000 1.158 618 T HN 0.484 nan 8.240 nan 0.000 0.566 619 F N 1.219 121.216 119.950 0.078 0.000 2.651 619 F HA 0.535 5.062 4.527 -0.000 0.000 0.329 619 F C -1.313 174.629 175.800 0.237 0.000 1.186 619 F CA -0.862 57.215 58.000 0.127 0.000 1.046 619 F CB 1.564 40.624 39.000 0.101 0.000 1.296 619 F HN 0.392 nan 8.300 nan 0.000 0.497 620 F N 6.145 126.200 119.950 0.174 0.000 2.518 620 F HA 0.732 5.259 4.527 -0.000 0.000 0.323 620 F C -2.465 173.419 175.800 0.139 0.000 1.129 620 F CA -2.702 55.370 58.000 0.122 0.000 0.920 620 F CB 1.682 40.713 39.000 0.053 0.000 1.160 620 F HN 0.161 nan 8.300 nan 0.000 0.440 621 P HA 0.600 nan 4.420 nan 0.000 0.286 621 P C -1.207 175.883 177.300 -0.350 0.000 1.292 621 P CA -0.581 62.397 63.100 -0.203 0.000 0.842 621 P CB 2.411 34.030 31.700 -0.135 0.000 1.207 622 M N -0.693 118.776 119.600 -0.219 0.000 3.015 622 M HA 0.532 5.012 4.480 -0.000 0.000 0.272 622 M C -1.755 174.367 176.300 -0.298 0.000 1.085 622 M CA -0.564 54.594 55.300 -0.236 0.000 0.795 622 M CB 1.205 33.693 32.600 -0.186 0.000 1.632 622 M HN 0.506 nan 8.290 nan 0.000 0.535 623 A N 1.016 123.632 122.820 -0.341 0.000 2.372 623 A HA 0.555 4.875 4.320 -0.000 0.000 0.271 623 A C -0.222 176.945 177.584 -0.695 0.000 1.470 623 A CA 0.392 52.085 52.037 -0.573 0.000 0.827 623 A CB -0.154 18.663 19.000 -0.304 0.000 1.405 623 A HN 0.986 nan 8.150 nan 0.000 0.536 624 H N -0.967 118.087 119.070 -0.026 0.000 2.549 624 H HA 0.173 4.729 4.556 -0.000 0.000 0.253 624 H C 0.188 175.503 175.328 -0.021 0.000 1.170 624 H CA 0.208 56.244 56.048 -0.020 0.000 0.943 624 H CB 0.036 29.789 29.762 -0.016 0.000 1.849 624 H HN 0.671 nan 8.280 nan 0.000 0.603 625 N N -1.269 117.434 118.700 0.005 0.000 2.294 625 N HA -0.009 4.731 4.740 -0.000 0.000 0.186 625 N C 0.840 176.341 175.510 -0.016 0.000 1.107 625 N CA 0.520 53.566 53.050 -0.006 0.000 0.884 625 N CB 0.388 38.852 38.487 -0.037 0.000 1.030 625 N HN 0.033 nan 8.380 nan 0.000 0.482 626 T N -1.285 113.253 114.554 -0.026 0.000 2.964 626 T HA 0.463 4.813 4.350 -0.000 0.000 0.249 626 T C 1.653 176.354 174.700 0.001 0.000 1.000 626 T CA 0.257 62.344 62.100 -0.021 0.000 0.992 626 T CB 0.110 68.953 68.868 -0.042 0.000 1.087 626 T HN 0.329 nan 8.240 nan 0.000 0.489 627 A N 2.093 124.921 122.820 0.013 0.000 1.904 627 A HA -0.093 4.227 4.320 -0.000 0.000 0.207 627 A C 2.398 180.019 177.584 0.061 0.000 1.231 627 A CA 1.989 54.062 52.037 0.059 0.000 0.655 627 A CB -1.493 17.602 19.000 0.160 0.000 0.875 627 A HN 0.390 nan 8.150 nan 0.000 0.478 628 S N -1.011 114.735 115.700 0.077 0.000 2.444 628 S HA -0.179 4.291 4.470 -0.000 0.000 0.244 628 S C 1.732 176.350 174.600 0.031 0.000 1.025 628 S CA 2.238 60.467 58.200 0.047 0.000 0.995 628 S CB -0.966 62.256 63.200 0.037 0.000 0.781 628 S HN 0.703 nan 8.310 nan 0.000 0.496 629 T N 3.466 118.036 114.554 0.027 0.000 2.504 629 T HA -0.043 4.307 4.350 -0.000 0.000 0.243 629 T C 1.703 176.413 174.700 0.017 0.000 1.206 629 T CA 1.368 63.477 62.100 0.015 0.000 1.356 629 T CB -0.728 68.144 68.868 0.007 0.000 0.910 629 T HN 0.251 nan 8.240 nan 0.000 0.393 630 L N 1.671 122.903 121.223 0.016 0.000 2.085 630 L HA -0.189 4.151 4.340 -0.000 0.000 0.218 630 L C 2.448 179.332 176.870 0.023 0.000 1.080 630 L CA 1.534 56.385 54.840 0.017 0.000 0.776 630 L CB -1.760 40.311 42.059 0.020 0.000 0.891 630 L HN 0.481 nan 8.230 nan 0.000 0.437 631 E N -0.284 119.935 120.200 0.033 0.000 2.048 631 E HA -0.270 4.080 4.350 -0.000 0.000 0.202 631 E C 1.768 178.389 176.600 0.036 0.000 1.021 631 E CA 1.586 58.010 56.400 0.040 0.000 0.825 631 E CB 0.108 29.837 29.700 0.047 0.000 0.756 631 E HN 0.487 nan 8.360 nan 0.000 0.454 632 A N 0.610 123.449 122.820 0.031 0.000 3.164 632 A HA -0.140 4.180 4.320 -0.000 0.000 0.156 632 A C 1.938 179.529 177.584 0.011 0.000 1.114 632 A CA 1.986 54.040 52.037 0.028 0.000 0.992 632 A CB -0.914 18.101 19.000 0.025 0.000 0.925 632 A HN 0.497 nan 8.150 nan 0.000 0.541 633 M N -2.177 117.425 119.600 0.003 0.000 1.691 633 M HA -0.310 4.170 4.480 -0.000 0.000 0.257 633 M C 1.184 177.471 176.300 -0.021 0.000 0.687 633 M CA 2.454 57.749 55.300 -0.009 0.000 0.835 633 M CB -1.614 30.983 32.600 -0.005 0.000 1.685 633 M HN 0.415 nan 8.290 nan 0.000 0.335 634 L N 1.095 122.308 121.223 -0.016 0.000 2.610 634 L HA 0.038 4.378 4.340 -0.000 0.000 0.232 634 L C 1.149 177.989 176.870 -0.048 0.000 1.149 634 L CA 1.143 55.967 54.840 -0.026 0.000 0.872 634 L CB -0.514 41.539 42.059 -0.010 0.000 0.992 634 L HN 0.540 nan 8.230 nan 0.000 0.447 635 R N 1.053 121.516 120.500 -0.060 0.000 3.179 635 R HA 0.273 4.613 4.340 -0.000 0.000 0.317 635 R C -0.287 175.889 176.300 -0.205 0.000 1.331 635 R CA -0.275 55.751 56.100 -0.125 0.000 1.184 635 R CB -0.805 29.447 30.300 -0.080 0.000 1.408 635 R HN 0.408 nan 8.270 nan 0.000 0.598 636 N N 0.689 119.292 118.700 -0.162 0.000 2.681 636 N HA 0.130 4.870 4.740 -0.000 0.000 0.311 636 N C -0.733 174.675 175.510 -0.169 0.000 1.303 636 N CA -0.647 52.313 53.050 -0.151 0.000 0.926 636 N CB 0.434 38.875 38.487 -0.078 0.000 1.136 636 N HN -0.094 nan 8.380 nan 0.000 0.592 637 D N -0.942 119.406 120.400 -0.086 0.000 2.970 637 D HA 0.310 4.950 4.640 -0.000 0.000 0.282 637 D C 0.106 176.393 176.300 -0.021 0.000 1.291 637 D CA -0.039 53.945 54.000 -0.026 0.000 0.967 637 D CB -0.194 40.619 40.800 0.022 0.000 1.017 637 D HN 0.645 nan 8.370 nan 0.000 0.512 638 T N -2.918 111.616 114.554 -0.034 0.000 3.786 638 T HA 0.047 4.397 4.350 -0.000 0.000 0.312 638 T C 0.363 175.041 174.700 -0.037 0.000 0.902 638 T CA -0.411 61.671 62.100 -0.030 0.000 1.133 638 T CB -0.263 68.587 68.868 -0.030 0.000 1.109 638 T HN 0.090 nan 8.240 nan 0.000 0.521 639 N N 2.122 120.795 118.700 -0.045 0.000 2.527 639 N HA 0.422 5.162 4.740 -0.000 0.000 0.236 639 N C -1.847 173.634 175.510 -0.049 0.000 0.999 639 N CA -0.124 52.898 53.050 -0.046 0.000 0.935 639 N CB 0.507 38.969 38.487 -0.042 0.000 1.132 639 N HN 0.369 nan 8.380 nan 0.000 0.511 640 D N 2.367 122.740 120.400 -0.045 0.000 2.861 640 D HA 0.042 4.682 4.640 -0.000 0.000 0.216 640 D C -0.315 175.953 176.300 -0.054 0.000 1.323 640 D CA -0.441 53.541 54.000 -0.031 0.000 0.917 640 D CB 1.459 42.259 40.800 -0.001 0.000 1.582 640 D HN 0.384 nan 8.370 nan 0.000 0.576 641 Q N 0.669 120.427 119.800 -0.070 0.000 2.492 641 Q HA -0.002 4.338 4.340 -0.000 0.000 0.366 641 Q C -0.116 175.764 176.000 -0.200 0.000 1.172 641 Q CA 0.881 56.580 55.803 -0.173 0.000 1.089 641 Q CB 0.524 29.183 28.738 -0.131 0.000 1.174 641 Q HN 0.269 nan 8.270 nan 0.000 0.421 642 S N 3.022 118.502 115.700 -0.368 0.000 2.746 642 S HA 0.556 5.026 4.470 -0.000 0.000 0.273 642 S C -1.234 173.186 174.600 -0.299 0.000 1.172 642 S CA -0.575 57.482 58.200 -0.240 0.000 1.116 642 S CB 0.153 63.264 63.200 -0.147 0.000 1.057 642 S HN 0.429 nan 8.310 nan 0.000 0.483 643 F N 3.513 123.503 119.950 0.065 0.000 2.518 643 F HA 0.606 5.133 4.527 -0.000 0.000 0.338 643 F C 1.505 177.300 175.800 -0.008 0.000 1.065 643 F CA -0.650 57.390 58.000 0.067 0.000 1.012 643 F CB 1.457 40.567 39.000 0.184 0.000 1.297 643 F HN 0.660 nan 8.300 nan 0.000 0.489 644 N N -0.679 118.079 118.700 0.097 0.000 3.085 644 N HA 0.263 5.003 4.740 -0.000 0.000 0.270 644 N C -1.536 173.624 175.510 -0.584 0.000 1.319 644 N CA -0.271 52.657 53.050 -0.204 0.000 1.379 644 N CB 1.055 39.496 38.487 -0.077 0.000 0.903 644 N HN 0.484 nan 8.380 nan 0.000 1.080 645 D N -2.720 117.504 120.400 -0.294 0.000 7.113 645 D HA -0.024 4.616 4.640 -0.000 0.000 0.259 645 D C -1.414 174.832 176.300 -0.089 0.000 1.887 645 D CA -0.405 53.452 54.000 -0.240 0.000 1.977 645 D CB -0.577 39.953 40.800 -0.449 0.000 3.496 645 D HN 0.288 nan 8.370 nan 0.000 0.730 646 Y N 1.370 121.607 120.300 -0.105 0.000 2.583 646 Y HA 0.188 4.738 4.550 -0.000 0.000 0.293 646 Y C 1.535 177.363 175.900 -0.119 0.000 1.157 646 Y CA 0.845 58.897 58.100 -0.081 0.000 1.315 646 Y CB -0.005 38.422 38.460 -0.055 0.000 1.021 646 Y HN 0.477 nan 8.280 nan 0.000 0.536 647 L N -0.572 120.660 121.223 0.015 0.000 2.452 647 L HA 0.295 4.635 4.340 -0.000 0.000 0.194 647 L C 0.551 177.353 176.870 -0.113 0.000 1.251 647 L CA 0.599 55.407 54.840 -0.055 0.000 2.559 647 L CB -0.537 41.493 42.059 -0.048 0.000 2.362 647 L HN -0.114 nan 8.230 nan 0.000 1.086 648 S N 0.103 115.728 115.700 -0.126 0.000 3.551 648 S HA 0.264 4.734 4.470 -0.000 0.000 0.547 648 S C -0.358 174.135 174.600 -0.178 0.000 0.699 648 S CA 0.273 58.377 58.200 -0.161 0.000 1.399 648 S CB -2.217 60.839 63.200 -0.241 0.000 0.922 648 S HN 1.115 nan 8.310 nan 0.000 0.818 649 A N 1.388 124.177 122.820 -0.051 0.000 2.568 649 A HA 0.993 5.313 4.320 -0.000 0.000 0.291 649 A C 0.336 177.974 177.584 0.091 0.000 1.159 649 A CA -0.173 51.856 52.037 -0.012 0.000 0.679 649 A CB 0.660 19.652 19.000 -0.015 0.000 1.285 649 A HN 1.687 nan 8.150 nan 0.000 0.428 650 A N -0.365 122.535 122.820 0.134 0.000 2.456 650 A HA 0.430 4.750 4.320 -0.000 0.000 0.237 650 A C 0.323 178.007 177.584 0.167 0.000 1.217 650 A CA 0.378 52.531 52.037 0.192 0.000 0.962 650 A CB -0.801 18.382 19.000 0.305 0.000 1.079 650 A HN 1.028 nan 8.150 nan 0.000 0.536 651 N N 0.206 118.977 118.700 0.118 0.000 2.597 651 N HA -0.121 4.619 4.740 -0.000 0.000 0.306 651 N C -0.689 174.949 175.510 0.213 0.000 1.337 651 N CA 1.122 54.275 53.050 0.172 0.000 0.850 651 N CB -0.307 38.317 38.487 0.230 0.000 1.032 651 N HN 0.467 nan 8.380 nan 0.000 0.511 652 M N 1.317 121.109 119.600 0.321 0.000 2.860 652 M HA 0.330 4.810 4.480 -0.000 0.000 0.270 652 M C -1.477 174.756 176.300 -0.111 0.000 0.988 652 M CA -0.452 54.873 55.300 0.041 0.000 0.807 652 M CB 1.993 34.612 32.600 0.031 0.000 1.708 652 M HN 0.559 nan 8.290 nan 0.000 0.558 653 L N 0.979 121.910 121.223 -0.487 0.000 2.491 653 L HA 0.826 5.166 4.340 -0.000 0.000 0.254 653 L C -2.326 173.978 176.870 -0.943 0.000 1.048 653 L CA -0.499 53.958 54.840 -0.639 0.000 0.855 653 L CB 3.062 44.838 42.059 -0.471 0.000 1.466 653 L HN 0.822 nan 8.230 nan 0.000 0.409 654 Y N 0.798 121.116 120.300 0.030 0.000 2.362 654 Y HA 0.485 5.035 4.550 -0.000 0.000 0.326 654 Y C -2.250 173.674 175.900 0.040 0.000 1.083 654 Y CA -1.839 56.287 58.100 0.042 0.000 1.073 654 Y CB 1.252 39.765 38.460 0.088 0.000 1.211 654 Y HN 0.476 nan 8.280 nan 0.000 0.433 655 P HA -0.102 nan 4.420 nan 0.000 0.288 655 P C 0.108 177.471 177.300 0.105 0.000 1.767 655 P CA 0.752 63.903 63.100 0.086 0.000 1.492 655 P CB 0.972 32.719 31.700 0.078 0.000 0.770 656 I N -4.691 115.930 120.570 0.084 0.000 2.618 656 I HA 0.095 4.265 4.170 -0.000 0.000 0.316 656 I C -2.454 173.704 176.117 0.068 0.000 1.589 656 I CA -1.323 60.030 61.300 0.088 0.000 0.774 656 I CB 0.781 38.830 38.000 0.082 0.000 1.948 656 I HN 0.098 nan 8.210 nan 0.000 0.572 657 P HA -0.256 nan 4.420 nan 0.000 0.295 657 P C 0.575 177.903 177.300 0.046 0.000 1.897 657 P CA 0.651 63.782 63.100 0.053 0.000 1.665 657 P CB 0.463 32.194 31.700 0.052 0.000 0.475 658 A N 0.869 123.714 122.820 0.042 0.000 2.569 658 A HA 0.005 4.325 4.320 -0.000 0.000 0.288 658 A C 0.280 177.886 177.584 0.038 0.000 1.326 658 A CA 0.674 52.734 52.037 0.039 0.000 0.978 658 A CB -2.137 16.885 19.000 0.037 0.000 1.054 658 A HN 0.695 nan 8.150 nan 0.000 0.558 659 N N -0.238 118.484 118.700 0.037 0.000 2.758 659 N HA -0.189 4.551 4.740 -0.000 0.000 0.248 659 N C 0.601 176.135 175.510 0.040 0.000 1.076 659 N CA 0.864 53.935 53.050 0.035 0.000 0.696 659 N CB -2.222 36.285 38.487 0.033 0.000 0.979 659 N HN 1.346 nan 8.380 nan 0.000 0.550 660 A N -0.101 122.747 122.820 0.046 0.000 3.004 660 A HA 0.093 4.413 4.320 -0.000 0.000 0.995 660 A C 1.469 179.087 177.584 0.055 0.000 0.893 660 A CA 1.892 53.962 52.037 0.056 0.000 3.360 660 A CB -0.647 18.394 19.000 0.068 0.000 1.676 660 A HN 1.114 nan 8.150 nan 0.000 1.020 661 T N -0.758 113.838 114.554 0.068 0.000 5.159 661 T HA 0.010 4.360 4.350 -0.000 0.000 0.278 661 T C -0.461 174.277 174.700 0.063 0.000 1.922 661 T CA 0.716 62.856 62.100 0.066 0.000 3.372 661 T CB -2.203 66.695 68.868 0.049 0.000 1.111 661 T HN 1.310 nan 8.240 nan 0.000 1.092 662 N N -1.123 117.626 118.700 0.082 0.000 5.838 662 N HA 0.365 5.105 4.740 -0.000 0.000 0.183 662 N C -1.662 173.895 175.510 0.078 0.000 1.054 662 N CA -0.319 52.771 53.050 0.067 0.000 0.794 662 N CB 0.766 39.269 38.487 0.028 0.000 1.646 662 N HN 0.497 nan 8.380 nan 0.000 0.569 663 V N -1.833 118.119 119.914 0.062 0.000 3.278 663 V HA 0.773 4.893 4.120 -0.000 0.000 0.288 663 V C -2.807 173.286 176.094 -0.001 0.000 1.514 663 V CA -1.155 61.182 62.300 0.062 0.000 1.051 663 V CB 1.386 33.295 31.823 0.143 0.000 1.163 663 V HN 0.589 nan 8.190 nan 0.000 0.458 664 P HA 0.827 nan 4.420 nan 0.000 0.304 664 P C -0.917 176.283 177.300 -0.167 0.000 1.366 664 P CA -0.278 62.772 63.100 -0.084 0.000 0.859 664 P CB 1.436 33.096 31.700 -0.068 0.000 0.961 665 I N -0.507 119.949 120.570 -0.190 0.000 2.908 665 I HA 0.813 4.983 4.170 -0.000 0.000 0.300 665 I C -1.421 174.587 176.117 -0.182 0.000 1.385 665 I CA -0.485 60.644 61.300 -0.286 0.000 1.004 665 I CB 2.290 40.110 38.000 -0.301 0.000 1.309 665 I HN 0.503 nan 8.210 nan 0.000 0.449 666 S N 4.736 120.345 115.700 -0.152 0.000 2.654 666 S HA 0.737 5.207 4.470 -0.000 0.000 0.267 666 S C -2.249 172.354 174.600 0.004 0.000 1.151 666 S CA -0.544 57.614 58.200 -0.070 0.000 0.873 666 S CB 1.775 64.937 63.200 -0.064 0.000 1.181 666 S HN 0.845 nan 8.310 nan 0.000 0.489 667 I N 2.597 123.212 120.570 0.074 0.000 2.580 667 I HA 0.318 4.488 4.170 -0.000 0.000 0.268 667 I C -2.368 173.875 176.117 0.211 0.000 1.261 667 I CA -0.985 60.407 61.300 0.154 0.000 1.115 667 I CB 1.084 39.255 38.000 0.284 0.000 1.387 667 I HN 0.546 nan 8.210 nan 0.000 0.474 668 P HA -0.101 nan 4.420 nan 0.000 0.286 668 P C 0.269 177.603 177.300 0.058 0.000 1.688 668 P CA 0.381 63.515 63.100 0.058 0.000 1.390 668 P CB 0.095 31.790 31.700 -0.008 0.000 0.829 669 S N -0.392 115.320 115.700 0.019 0.000 2.592 669 S HA 0.613 5.083 4.470 -0.000 0.000 0.271 669 S C 0.532 175.042 174.600 -0.150 0.000 1.326 669 S CA -0.381 57.819 58.200 -0.001 0.000 1.024 669 S CB 1.269 64.479 63.200 0.017 0.000 0.921 669 S HN 0.796 nan 8.310 nan 0.000 0.527 670 R N 0.576 120.940 120.500 -0.227 0.000 4.513 670 R HA 0.146 4.486 4.340 -0.000 0.000 0.250 670 R C -2.058 174.014 176.300 -0.380 0.000 0.900 670 R CA -0.555 55.385 56.100 -0.266 0.000 0.654 670 R CB -0.543 29.630 30.300 -0.213 0.000 2.010 670 R HN 0.729 nan 8.270 nan 0.000 0.380 671 N N -0.140 118.282 118.700 -0.464 0.000 2.352 671 N HA 0.504 5.244 4.740 -0.000 0.000 0.291 671 N C -1.248 173.724 175.510 -0.897 0.000 1.040 671 N CA -0.568 52.202 53.050 -0.466 0.000 0.864 671 N CB 1.072 39.408 38.487 -0.252 0.000 1.440 671 N HN 0.572 nan 8.380 nan 0.000 0.483 672 W N 2.617 123.681 121.300 -0.394 0.000 2.190 672 W HA 0.671 5.331 4.660 -0.000 0.000 0.337 672 W C 0.949 177.390 176.519 -0.130 0.000 0.911 672 W CA -0.644 56.454 57.345 -0.413 0.000 1.925 672 W CB -1.393 28.018 29.460 -0.081 0.000 1.134 672 W HN 0.694 nan 8.180 nan 0.000 0.536 673 A N 2.513 125.447 122.820 0.189 0.000 2.816 673 A HA -0.012 4.308 4.320 -0.000 0.000 0.346 673 A C 1.845 179.591 177.584 0.269 0.000 0.763 673 A CA 2.408 54.614 52.037 0.283 0.000 1.372 673 A CB -1.447 17.653 19.000 0.166 0.000 0.674 673 A HN 0.709 nan 8.150 nan 0.000 0.477 674 A N -1.702 121.253 122.820 0.226 0.000 2.504 674 A HA 0.460 4.780 4.320 -0.000 0.000 0.257 674 A C 0.130 177.725 177.584 0.018 0.000 1.136 674 A CA 1.335 53.513 52.037 0.234 0.000 0.823 674 A CB -0.365 18.833 19.000 0.329 0.000 1.085 674 A HN 2.273 nan 8.150 nan 0.000 0.521 675 F N -1.729 117.977 119.950 -0.407 0.000 2.835 675 F HA 0.367 4.894 4.527 -0.000 0.000 0.332 675 F C 0.120 175.435 175.800 -0.807 0.000 1.127 675 F CA -0.382 57.131 58.000 -0.811 0.000 0.890 675 F CB 0.352 38.747 39.000 -1.008 0.000 1.480 675 F HN 0.666 nan 8.300 nan 0.000 0.466 676 R N 2.924 122.748 120.500 -1.126 0.000 2.566 676 R HA 0.718 5.058 4.340 -0.000 0.000 0.388 676 R C 0.073 175.842 176.300 -0.884 0.000 0.989 676 R CA -0.116 55.605 56.100 -0.630 0.000 1.164 676 R CB 1.416 31.508 30.300 -0.347 0.000 1.459 676 R HN 1.407 nan 8.270 nan 0.000 0.553 677 G N -0.343 107.198 108.800 -2.097 0.000 2.316 677 G HA2 0.252 4.212 3.960 -0.000 0.000 0.296 677 G HA3 0.252 4.212 3.960 -0.000 0.000 0.296 677 G C -1.667 172.675 174.900 -0.930 0.000 1.399 677 G CA -0.863 43.556 45.100 -1.135 0.000 0.833 677 G HN 0.041 nan 8.290 nan 0.000 0.565 678 W N -0.870 120.542 121.300 0.186 0.000 3.845 678 W HA 0.832 5.492 4.660 -0.000 0.000 0.619 678 W C 0.544 177.194 176.519 0.218 0.000 2.666 678 W CA 0.465 58.081 57.345 0.453 0.000 1.002 678 W CB 0.541 30.447 29.460 0.745 0.000 2.702 678 W HN 2.012 nan 8.180 nan 0.000 0.568 679 A N 0.141 123.349 122.820 0.645 0.000 2.405 679 A HA 0.323 4.643 4.320 -0.000 0.000 0.665 679 A C -1.333 176.568 177.584 0.528 0.000 0.185 679 A CA -0.609 51.746 52.037 0.529 0.000 0.131 679 A CB -1.416 17.665 19.000 0.135 0.000 3.838 679 A HN 0.742 nan 8.150 nan 0.000 0.535 680 F N -1.274 118.832 119.950 0.260 0.000 2.922 680 F HA 1.011 5.538 4.527 -0.000 0.000 0.345 680 F C 0.380 176.287 175.800 0.178 0.000 1.209 680 F CA -0.866 57.197 58.000 0.106 0.000 1.018 680 F CB 0.802 39.808 39.000 0.009 0.000 1.472 680 F HN 1.664 nan 8.300 nan 0.000 0.521 681 T N -1.618 113.135 114.554 0.331 0.000 3.738 681 T HA 0.231 4.581 4.350 -0.000 0.000 0.427 681 T C -0.948 173.903 174.700 0.251 0.000 1.072 681 T CA -1.011 61.273 62.100 0.306 0.000 1.040 681 T CB 0.249 69.163 68.868 0.076 0.000 1.331 681 T HN 1.169 nan 8.240 nan 0.000 0.428 682 R N 2.050 122.735 120.500 0.308 0.000 2.863 682 R HA 0.683 5.023 4.340 -0.000 0.000 0.273 682 R C -1.004 175.369 176.300 0.122 0.000 1.057 682 R CA -0.451 55.760 56.100 0.185 0.000 1.191 682 R CB 0.361 30.788 30.300 0.212 0.000 1.104 682 R HN 0.536 nan 8.270 nan 0.000 0.519 683 L N 0.908 122.174 121.223 0.072 0.000 2.518 683 L HA 0.434 4.774 4.340 -0.000 0.000 0.257 683 L C -1.368 175.516 176.870 0.023 0.000 0.980 683 L CA -0.701 54.161 54.840 0.036 0.000 0.837 683 L CB 2.281 44.339 42.059 -0.002 0.000 1.410 683 L HN 0.809 nan 8.230 nan 0.000 0.410 684 K N 0.280 120.691 120.400 0.019 0.000 2.106 684 K HA 0.670 4.990 4.320 -0.000 0.000 0.246 684 K C 0.186 176.774 176.600 -0.020 0.000 0.987 684 K CA -0.326 55.969 56.287 0.014 0.000 0.904 684 K CB 0.737 33.260 32.500 0.037 0.000 1.071 684 K HN 0.600 nan 8.250 nan 0.000 0.453 685 T N -0.990 113.553 114.554 -0.018 0.000 3.163 685 T HA 0.094 4.444 4.350 -0.000 0.000 0.252 685 T C 1.058 175.729 174.700 -0.049 0.000 1.056 685 T CA -0.087 61.994 62.100 -0.031 0.000 0.947 685 T CB -0.018 68.845 68.868 -0.008 0.000 1.016 685 T HN 0.441 nan 8.240 nan 0.000 0.554 686 K N 1.296 121.647 120.400 -0.083 0.000 2.400 686 K HA 0.064 4.384 4.320 -0.000 0.000 0.194 686 K C 0.482 176.880 176.600 -0.336 0.000 1.033 686 K CA 0.679 56.892 56.287 -0.124 0.000 1.021 686 K CB 0.350 32.807 32.500 -0.071 0.000 0.808 686 K HN 0.322 nan 8.250 nan 0.000 0.505 687 E N -0.468 119.499 120.200 -0.389 0.000 2.887 687 E HA 0.088 4.438 4.350 -0.000 0.000 0.206 687 E C -1.086 175.450 176.600 -0.107 0.000 0.983 687 E CA -0.094 56.002 56.400 -0.508 0.000 1.141 687 E CB 1.674 30.891 29.700 -0.805 0.000 1.061 687 E HN -0.136 nan 8.360 nan 0.000 0.468 688 T N 3.446 117.966 114.554 -0.056 0.000 3.042 688 T HA 0.296 4.646 4.350 -0.000 0.000 0.356 688 T C -2.543 172.059 174.700 -0.164 0.000 1.233 688 T CA -1.689 60.350 62.100 -0.101 0.000 1.038 688 T CB 0.619 69.421 68.868 -0.111 0.000 1.089 688 T HN -0.041 nan 8.240 nan 0.000 0.531 689 P HA 0.307 nan 4.420 nan 0.000 0.291 689 P C -0.285 176.870 177.300 -0.242 0.000 1.340 689 P CA -0.505 62.237 63.100 -0.595 0.000 0.799 689 P CB 0.830 31.922 31.700 -1.014 0.000 0.917 690 S N 4.633 120.246 115.700 -0.146 0.000 2.701 690 S HA 0.098 4.568 4.470 -0.000 0.000 0.317 690 S C 0.899 175.500 174.600 0.003 0.000 1.149 690 S CA -0.577 57.589 58.200 -0.058 0.000 1.052 690 S CB -0.740 62.439 63.200 -0.035 0.000 1.257 690 S HN 0.184 nan 8.310 nan 0.000 0.532 691 L N 4.943 126.188 121.223 0.035 0.000 2.949 691 L HA 0.115 4.455 4.340 -0.000 0.000 0.263 691 L C 2.005 178.893 176.870 0.031 0.000 1.190 691 L CA 0.643 55.534 54.840 0.084 0.000 1.022 691 L CB -1.947 40.200 42.059 0.147 0.000 1.313 691 L HN 0.801 nan 8.230 nan 0.000 0.413 692 G N -0.700 108.107 108.800 0.013 0.000 2.679 692 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.212 692 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.212 692 G C 1.237 176.137 174.900 0.001 0.000 1.137 692 G CA 0.873 45.971 45.100 -0.002 0.000 0.787 692 G HN 0.544 nan 8.290 nan 0.000 0.534 693 S N -2.047 113.666 115.700 0.021 0.000 2.692 693 S HA 0.412 4.882 4.470 -0.000 0.000 0.269 693 S C 1.250 175.876 174.600 0.043 0.000 1.080 693 S CA 0.559 58.780 58.200 0.036 0.000 1.058 693 S CB 1.072 64.311 63.200 0.064 0.000 0.982 693 S HN 1.283 nan 8.310 nan 0.000 0.534 694 G N 0.998 109.839 108.800 0.069 0.000 2.155 694 G HA2 0.017 3.977 3.960 -0.000 0.000 0.135 694 G HA3 0.017 3.977 3.960 -0.000 0.000 0.135 694 G C -0.497 174.599 174.900 0.326 0.000 1.023 694 G CA -0.085 45.031 45.100 0.028 0.000 0.688 694 G HN 0.800 nan 8.290 nan 0.000 0.499 695 Y N -0.759 119.643 120.300 0.169 0.000 2.895 695 Y HA 0.435 4.985 4.550 -0.000 0.000 0.399 695 Y C -2.449 173.532 175.900 0.135 0.000 1.127 695 Y CA -1.236 56.994 58.100 0.218 0.000 1.395 695 Y CB 0.670 39.360 38.460 0.384 0.000 1.520 695 Y HN 0.106 nan 8.280 nan 0.000 0.527 696 D N 5.371 125.709 120.400 -0.104 0.000 2.686 696 D HA 0.544 5.184 4.640 -0.000 0.000 0.249 696 D C -2.380 173.807 176.300 -0.190 0.000 1.260 696 D CA -1.407 52.488 54.000 -0.174 0.000 0.910 696 D CB 2.851 43.569 40.800 -0.136 0.000 1.323 696 D HN 0.278 nan 8.370 nan 0.000 0.561 697 P HA 0.023 nan 4.420 nan 0.000 0.268 697 P C 0.873 178.229 177.300 0.095 0.000 1.248 697 P CA -0.003 63.027 63.100 -0.117 0.000 0.851 697 P CB 0.346 31.907 31.700 -0.233 0.000 1.238 698 Y N 0.162 120.465 120.300 0.005 0.000 2.519 698 Y HA 0.095 4.645 4.550 -0.000 0.000 0.287 698 Y C 0.526 176.488 175.900 0.103 0.000 1.128 698 Y CA -1.121 57.000 58.100 0.034 0.000 1.282 698 Y CB -0.920 37.553 38.460 0.022 0.000 1.027 698 Y HN -0.177 nan 8.280 nan 0.000 0.551 699 Y N 1.737 122.031 120.300 -0.011 0.000 2.480 699 Y HA 0.341 4.891 4.550 -0.000 0.000 0.338 699 Y C -0.423 175.484 175.900 0.011 0.000 1.220 699 Y CA 0.106 58.188 58.100 -0.029 0.000 1.430 699 Y CB 0.565 39.041 38.460 0.026 0.000 1.311 699 Y HN 0.067 nan 8.280 nan 0.000 0.575 700 T N 5.345 119.561 114.554 -0.564 0.000 3.313 700 T HA 0.408 4.758 4.350 -0.000 0.000 0.333 700 T C -1.778 172.599 174.700 -0.538 0.000 0.904 700 T CA -0.628 61.171 62.100 -0.502 0.000 1.079 700 T CB -0.161 68.593 68.868 -0.189 0.000 1.017 700 T HN 0.595 nan 8.240 nan 0.000 0.471 701 Y N 0.961 120.688 120.300 -0.955 0.000 2.643 701 Y HA 0.452 5.002 4.550 -0.000 0.000 0.347 701 Y C -0.121 175.678 175.900 -0.169 0.000 1.208 701 Y CA -0.559 57.271 58.100 -0.449 0.000 1.245 701 Y CB 1.074 39.426 38.460 -0.180 0.000 1.369 701 Y HN 0.554 nan 8.280 nan 0.000 0.487 702 S N -0.176 115.299 115.700 -0.376 0.000 2.348 702 S HA 0.282 4.752 4.470 -0.000 0.000 0.276 702 S C 0.719 175.216 174.600 -0.171 0.000 1.027 702 S CA 0.009 58.148 58.200 -0.100 0.000 1.386 702 S CB 0.221 63.372 63.200 -0.082 0.000 1.122 702 S HN 1.020 nan 8.310 nan 0.000 0.573 703 G N 1.927 110.396 108.800 -0.551 0.000 2.527 703 G HA2 0.371 4.331 3.960 -0.000 0.000 0.279 703 G HA3 0.371 4.331 3.960 -0.000 0.000 0.279 703 G C -0.140 174.829 174.900 0.115 0.000 1.374 703 G CA -0.252 44.700 45.100 -0.246 0.000 1.053 703 G HN 0.321 nan 8.290 nan 0.000 0.539 704 S N 0.110 115.939 115.700 0.216 0.000 2.643 704 S HA 0.045 4.515 4.470 -0.000 0.000 0.329 704 S C 0.456 175.299 174.600 0.406 0.000 1.193 704 S CA 0.236 58.609 58.200 0.287 0.000 1.293 704 S CB -0.637 62.728 63.200 0.275 0.000 1.205 704 S HN 0.315 nan 8.310 nan 0.000 0.550 705 I N 6.409 127.194 120.570 0.359 0.000 2.281 705 I HA 0.212 4.382 4.170 -0.000 0.000 0.293 705 I C -1.812 174.393 176.117 0.146 0.000 1.085 705 I CA -2.435 59.027 61.300 0.270 0.000 1.257 705 I CB 0.328 38.490 38.000 0.270 0.000 1.430 705 I HN 0.270 nan 8.210 nan 0.000 0.489 706 P HA -0.193 nan 4.420 nan 0.000 0.274 706 P C -0.138 177.280 177.300 0.196 0.000 1.224 706 P CA 0.645 63.721 63.100 -0.041 0.000 0.803 706 P CB 0.717 32.264 31.700 -0.255 0.000 0.876 707 Y N -0.830 119.517 120.300 0.080 0.000 2.810 707 Y HA -0.254 4.296 4.550 -0.000 0.000 0.467 707 Y C 0.913 176.883 175.900 0.117 0.000 1.274 707 Y CA 1.484 59.671 58.100 0.145 0.000 2.429 707 Y CB -2.175 36.362 38.460 0.128 0.000 1.195 707 Y HN 0.081 nan 8.280 nan 0.000 0.600 708 L N 2.900 124.060 121.223 -0.105 0.000 2.612 708 L HA 0.257 4.597 4.340 -0.000 0.000 0.230 708 L C 0.182 177.009 176.870 -0.072 0.000 1.140 708 L CA 1.106 55.810 54.840 -0.227 0.000 0.896 708 L CB -0.048 41.899 42.059 -0.187 0.000 1.065 708 L HN 0.309 nan 8.230 nan 0.000 0.447 709 D N -0.014 120.355 120.400 -0.052 0.000 2.772 709 D HA 0.151 4.791 4.640 -0.000 0.000 0.272 709 D C 1.147 177.298 176.300 -0.249 0.000 1.314 709 D CA 0.072 54.018 54.000 -0.091 0.000 0.835 709 D CB 0.628 41.388 40.800 -0.066 0.000 1.080 709 D HN 0.148 nan 8.370 nan 0.000 0.482 710 G N 1.929 110.606 108.800 -0.206 0.000 2.467 710 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.302 710 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.302 710 G C 0.889 175.128 174.900 -1.101 0.000 0.930 710 G CA 1.545 46.377 45.100 -0.446 0.000 1.008 710 G HN 0.428 nan 8.290 nan 0.000 0.512 711 T N -0.717 113.110 114.554 -1.213 0.000 3.178 711 T HA 0.407 4.757 4.350 -0.000 0.000 0.184 711 T C 1.088 174.792 174.700 -1.660 0.000 0.752 711 T CA 0.349 61.741 62.100 -1.180 0.000 2.066 711 T CB -0.472 68.036 68.868 -0.599 0.000 2.261 711 T HN 1.553 nan 8.240 nan 0.000 0.422 712 F N 1.523 121.128 119.950 -0.575 0.000 2.489 712 F HA -0.203 4.324 4.527 -0.000 0.000 0.203 712 F C -0.203 175.312 175.800 -0.474 0.000 1.030 712 F CA -1.144 56.538 58.000 -0.529 0.000 0.877 712 F CB -2.776 36.052 39.000 -0.286 0.000 0.855 712 F HN 0.507 nan 8.300 nan 0.000 0.832 713 Y N 0.199 120.428 120.300 -0.119 0.000 2.885 713 Y HA 0.536 5.086 4.550 -0.000 0.000 0.380 713 Y C 0.675 176.232 175.900 -0.572 0.000 1.064 713 Y CA -0.791 57.182 58.100 -0.210 0.000 1.676 713 Y CB -0.596 37.813 38.460 -0.084 0.000 1.633 713 Y HN 0.555 nan 8.280 nan 0.000 0.473 714 L N -0.496 120.578 121.223 -0.249 0.000 3.122 714 L HA 0.304 4.644 4.340 -0.000 0.000 0.274 714 L C 0.720 177.521 176.870 -0.116 0.000 1.222 714 L CA -0.042 54.688 54.840 -0.184 0.000 1.028 714 L CB 0.069 42.149 42.059 0.036 0.000 1.386 714 L HN 0.132 nan 8.230 nan 0.000 0.578 715 N N -0.193 118.459 118.700 -0.081 0.000 2.446 715 N HA -0.072 4.668 4.740 -0.000 0.000 0.179 715 N C 1.572 176.966 175.510 -0.193 0.000 1.054 715 N CA 0.807 53.948 53.050 0.152 0.000 0.905 715 N CB -0.052 38.734 38.487 0.497 0.000 0.973 715 N HN 0.402 nan 8.380 nan 0.000 0.448 716 H N -0.796 117.984 119.070 -0.484 0.000 2.497 716 H HA 0.142 4.698 4.556 -0.000 0.000 0.282 716 H C 0.390 175.521 175.328 -0.327 0.000 1.003 716 H CA 0.540 56.167 56.048 -0.702 0.000 1.307 716 H CB -1.029 28.375 29.762 -0.597 0.000 1.437 716 H HN 0.064 nan 8.280 nan 0.000 0.544 717 T N -0.015 114.414 114.554 -0.209 0.000 3.162 717 T HA 0.488 4.838 4.350 -0.000 0.000 0.316 717 T C -0.213 174.685 174.700 0.330 0.000 1.182 717 T CA -0.411 61.702 62.100 0.022 0.000 1.015 717 T CB -1.022 67.853 68.868 0.012 0.000 1.089 717 T HN 0.076 nan 8.240 nan 0.000 0.646 718 F N 1.193 121.256 119.950 0.188 0.000 2.588 718 F HA 0.515 5.042 4.527 -0.000 0.000 0.314 718 F C 1.003 176.858 175.800 0.091 0.000 1.069 718 F CA -1.575 56.505 58.000 0.134 0.000 0.931 718 F CB 2.805 41.882 39.000 0.128 0.000 1.260 718 F HN 0.376 nan 8.300 nan 0.000 0.465 719 K N 1.937 122.472 120.400 0.225 0.000 2.353 719 K HA 0.280 4.600 4.320 -0.000 0.000 0.206 719 K C -0.782 175.854 176.600 0.060 0.000 1.191 719 K CA 0.492 56.856 56.287 0.129 0.000 0.897 719 K CB 0.738 33.300 32.500 0.103 0.000 1.283 719 K HN 0.621 nan 8.250 nan 0.000 0.477 720 K N -0.425 119.973 120.400 -0.003 0.000 2.703 720 K HA 0.313 4.633 4.320 -0.000 0.000 0.285 720 K C -1.616 174.903 176.600 -0.134 0.000 1.014 720 K CA -0.998 55.243 56.287 -0.075 0.000 0.858 720 K CB 1.615 34.111 32.500 -0.006 0.000 1.467 720 K HN -0.109 nan 8.250 nan 0.000 0.383 721 V N 0.016 119.791 119.914 -0.232 0.000 2.417 721 V HA 0.848 4.968 4.120 -0.000 0.000 0.291 721 V C -0.466 175.670 176.094 0.071 0.000 1.024 721 V CA -0.527 61.603 62.300 -0.282 0.000 0.861 721 V CB 0.842 32.165 31.823 -0.834 0.000 0.985 721 V HN 0.931 nan 8.190 nan 0.000 0.436 722 A N 6.118 129.037 122.820 0.165 0.000 2.422 722 A HA 0.995 5.315 4.320 -0.000 0.000 0.302 722 A C -0.954 176.731 177.584 0.169 0.000 1.041 722 A CA -0.597 51.593 52.037 0.254 0.000 0.708 722 A CB 1.452 20.483 19.000 0.052 0.000 1.257 722 A HN 0.908 nan 8.150 nan 0.000 0.414 723 I N 0.801 121.523 120.570 0.254 0.000 2.692 723 I HA 0.415 4.585 4.170 -0.000 0.000 0.293 723 I C 0.458 176.652 176.117 0.128 0.000 1.200 723 I CA -0.876 60.520 61.300 0.159 0.000 1.036 723 I CB 2.275 40.503 38.000 0.380 0.000 1.258 723 I HN 0.536 nan 8.210 nan 0.000 0.421 724 T N 1.885 116.459 114.554 0.034 0.000 2.925 724 T HA 0.243 4.593 4.350 -0.000 0.000 0.245 724 T C 0.181 174.988 174.700 0.178 0.000 1.025 724 T CA 0.386 62.515 62.100 0.047 0.000 1.149 724 T CB -0.119 68.738 68.868 -0.018 0.000 0.866 724 T HN 0.478 nan 8.240 nan 0.000 0.437 725 F N 2.543 122.464 119.950 -0.048 0.000 2.257 725 F HA -0.112 4.415 4.527 -0.000 0.000 0.431 725 F C 0.735 176.489 175.800 -0.076 0.000 1.182 725 F CA 0.766 58.713 58.000 -0.089 0.000 1.412 725 F CB -1.431 37.520 39.000 -0.082 0.000 2.156 725 F HN 0.414 nan 8.300 nan 0.000 0.758 726 D N -0.412 120.017 120.400 0.049 0.000 2.136 726 D HA -0.316 4.324 4.640 -0.000 0.000 0.181 726 D C 1.058 177.385 176.300 0.046 0.000 1.459 726 D CA 2.587 56.629 54.000 0.070 0.000 1.512 726 D CB -1.174 39.678 40.800 0.088 0.000 1.370 726 D HN 1.152 nan 8.370 nan 0.000 0.544 727 S N -2.117 113.608 115.700 0.041 0.000 1.356 727 S HA -0.293 4.177 4.470 -0.000 0.000 0.252 727 S C 1.146 175.760 174.600 0.024 0.000 0.626 727 S CA 2.341 60.552 58.200 0.019 0.000 1.154 727 S CB -2.046 61.157 63.200 0.005 0.000 0.913 727 S HN 1.095 nan 8.310 nan 0.000 0.491 728 S N 1.967 117.684 115.700 0.028 0.000 2.595 728 S HA 0.261 4.731 4.470 -0.000 0.000 0.235 728 S C 0.414 175.033 174.600 0.031 0.000 0.974 728 S CA 0.872 59.086 58.200 0.024 0.000 0.942 728 S CB -0.402 62.815 63.200 0.028 0.000 0.766 728 S HN 1.031 nan 8.310 nan 0.000 0.536 729 V N 1.726 121.669 119.914 0.048 0.000 2.666 729 V HA 0.342 4.462 4.120 -0.000 0.000 0.261 729 V C 0.365 176.532 176.094 0.122 0.000 0.892 729 V CA -0.376 61.968 62.300 0.074 0.000 0.937 729 V CB 0.215 32.062 31.823 0.040 0.000 1.063 729 V HN 0.329 nan 8.190 nan 0.000 0.494 730 S N 2.492 118.238 115.700 0.076 0.000 3.870 730 S HA 0.066 4.536 4.470 -0.000 0.000 0.198 730 S C 0.339 174.980 174.600 0.069 0.000 1.336 730 S CA -0.370 57.868 58.200 0.064 0.000 1.049 730 S CB -0.622 62.568 63.200 -0.016 0.000 1.412 730 S HN 0.564 nan 8.310 nan 0.000 0.448 731 W N 2.447 123.704 121.300 -0.072 0.000 2.345 731 W HA 0.104 4.764 4.660 -0.000 0.000 0.346 731 W C -1.501 174.946 176.519 -0.119 0.000 1.243 731 W CA -1.154 56.117 57.345 -0.123 0.000 1.327 731 W CB 0.030 29.355 29.460 -0.225 0.000 1.187 731 W HN 0.357 nan 8.180 nan 0.000 0.588 732 P HA -0.071 nan 4.420 nan 0.000 0.216 732 P C 0.476 177.266 177.300 -0.849 0.000 1.150 732 P CA 2.023 64.708 63.100 -0.692 0.000 0.837 732 P CB -0.168 31.257 31.700 -0.459 0.000 0.786 733 G N 0.135 108.643 108.800 -0.487 0.000 3.085 733 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.455 733 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.455 733 G C -0.388 174.303 174.900 -0.349 0.000 1.592 733 G CA -0.092 44.791 45.100 -0.362 0.000 1.083 733 G HN 0.401 nan 8.290 nan 0.000 0.574 734 N N 0.363 118.922 118.700 -0.234 0.000 2.681 734 N HA -0.151 4.589 4.740 -0.000 0.000 0.265 734 N C 0.780 176.181 175.510 -0.182 0.000 1.157 734 N CA 1.511 54.447 53.050 -0.190 0.000 0.674 734 N CB -0.888 37.481 38.487 -0.195 0.000 0.887 734 N HN 1.072 nan 8.380 nan 0.000 0.557 735 D N 0.035 120.339 120.400 -0.160 0.000 4.406 735 D HA -0.388 4.252 4.640 -0.000 0.000 0.283 735 D C 1.578 177.782 176.300 -0.161 0.000 1.123 735 D CA 2.712 56.625 54.000 -0.145 0.000 1.953 735 D CB -0.389 40.341 40.800 -0.117 0.000 1.115 735 D HN 0.621 nan 8.370 nan 0.000 0.545 736 R N 0.079 120.480 120.500 -0.165 0.000 2.501 736 R HA -0.250 4.090 4.340 -0.000 0.000 0.153 736 R C 1.686 177.893 176.300 -0.156 0.000 0.713 736 R CA 2.596 58.594 56.100 -0.170 0.000 0.216 736 R CB -1.960 28.213 30.300 -0.211 0.000 0.600 736 R HN 0.615 nan 8.270 nan 0.000 0.230 737 L N -2.302 118.822 121.223 -0.165 0.000 2.331 737 L HA 0.414 4.754 4.340 -0.000 0.000 0.268 737 L C 1.650 178.437 176.870 -0.138 0.000 1.015 737 L CA -0.740 54.017 54.840 -0.140 0.000 0.807 737 L CB 0.581 42.562 42.059 -0.130 0.000 1.293 737 L HN 0.013 nan 8.230 nan 0.000 0.451 738 L N 0.477 121.628 121.223 -0.119 0.000 2.217 738 L HA 0.012 4.352 4.340 -0.000 0.000 0.211 738 L C 0.901 177.685 176.870 -0.145 0.000 1.107 738 L CA 1.836 56.596 54.840 -0.132 0.000 0.783 738 L CB -0.271 41.709 42.059 -0.130 0.000 0.919 738 L HN 1.049 nan 8.230 nan 0.000 0.442 739 T N -3.322 111.150 114.554 -0.137 0.000 3.516 739 T HA 0.296 4.646 4.350 -0.000 0.000 0.245 739 T C -1.679 172.880 174.700 -0.235 0.000 1.077 739 T CA -1.154 60.854 62.100 -0.153 0.000 1.222 739 T CB 0.357 69.165 68.868 -0.100 0.000 1.045 739 T HN 0.059 nan 8.240 nan 0.000 0.585 740 P HA -0.180 nan 4.420 nan 0.000 0.218 740 P C 1.053 178.071 177.300 -0.471 0.000 1.147 740 P CA 1.209 64.095 63.100 -0.356 0.000 0.827 740 P CB 0.164 31.696 31.700 -0.280 0.000 0.778 741 N N -0.175 118.316 118.700 -0.347 0.000 2.047 741 N HA -0.093 4.646 4.740 -0.000 0.000 0.193 741 N C 0.731 175.981 175.510 -0.432 0.000 1.055 741 N CA 1.117 53.977 53.050 -0.316 0.000 0.847 741 N CB -0.372 38.001 38.487 -0.190 0.000 1.038 741 N HN 0.359 nan 8.380 nan 0.000 0.427 742 E N 0.386 120.400 120.200 -0.309 0.000 2.183 742 E HA 0.224 4.574 4.350 -0.000 0.000 0.271 742 E C -0.862 175.692 176.600 -0.076 0.000 0.919 742 E CA -0.552 55.760 56.400 -0.147 0.000 0.781 742 E CB 1.189 30.872 29.700 -0.029 0.000 1.140 742 E HN 0.145 nan 8.360 nan 0.000 0.402 743 F N 0.353 120.245 119.950 -0.097 0.000 2.942 743 F HA 0.334 4.861 4.527 -0.000 0.000 0.324 743 F C 0.559 176.252 175.800 -0.179 0.000 1.265 743 F CA -1.500 56.454 58.000 -0.078 0.000 1.255 743 F CB -1.086 37.957 39.000 0.071 0.000 1.048 743 F HN 0.225 nan 8.300 nan 0.000 0.512 744 E N 0.472 120.695 120.200 0.038 0.000 5.977 744 E HA -0.261 4.089 4.350 -0.000 0.000 0.176 744 E C 0.900 177.350 176.600 -0.249 0.000 1.521 744 E CA 1.169 57.535 56.400 -0.056 0.000 2.647 744 E CB -0.115 29.593 29.700 0.014 0.000 1.983 744 E HN 0.422 nan 8.360 nan 0.000 0.408 745 I N -1.664 118.840 120.570 -0.111 0.000 2.446 745 I HA -0.076 4.094 4.170 -0.000 0.000 0.267 745 I C -0.582 175.573 176.117 0.063 0.000 0.900 745 I CA 0.596 61.836 61.300 -0.100 0.000 2.072 745 I CB -0.176 37.696 38.000 -0.214 0.000 2.072 745 I HN 0.623 nan 8.210 nan 0.000 0.361 746 K N 2.638 123.082 120.400 0.073 0.000 2.668 746 K HA 0.586 4.906 4.320 -0.000 0.000 0.246 746 K C -1.148 175.521 176.600 0.116 0.000 0.976 746 K CA -0.619 55.725 56.287 0.095 0.000 0.902 746 K CB 1.461 34.044 32.500 0.138 0.000 1.172 746 K HN 0.177 nan 8.250 nan 0.000 0.452 747 R N 1.947 122.507 120.500 0.100 0.000 2.204 747 R HA 0.224 4.564 4.340 -0.000 0.000 0.341 747 R C -0.556 175.796 176.300 0.088 0.000 1.035 747 R CA -0.756 55.398 56.100 0.089 0.000 0.887 747 R CB 1.178 31.525 30.300 0.078 0.000 1.114 747 R HN 0.420 nan 8.270 nan 0.000 0.473 748 S N 2.660 118.415 115.700 0.093 0.000 3.442 748 S HA -0.036 4.434 4.470 -0.000 0.000 0.237 748 S C 0.267 174.910 174.600 0.071 0.000 0.992 748 S CA 0.150 58.403 58.200 0.089 0.000 1.381 748 S CB -0.713 62.537 63.200 0.083 0.000 1.566 748 S HN 0.534 nan 8.310 nan 0.000 0.559 749 V N 2.273 122.226 119.914 0.065 0.000 3.607 749 V HA -0.274 3.846 4.120 -0.000 0.000 0.511 749 V C 0.255 176.370 176.094 0.034 0.000 0.682 749 V CA 1.541 63.868 62.300 0.046 0.000 2.061 749 V CB -0.065 31.787 31.823 0.049 0.000 2.480 749 V HN 1.009 nan 8.190 nan 0.000 0.511 750 D N 2.632 123.041 120.400 0.014 0.000 1.367 750 D HA 0.263 4.903 4.640 -0.000 0.000 0.758 750 D C 0.337 176.625 176.300 -0.021 0.000 0.713 750 D CA 0.874 54.880 54.000 0.010 0.000 1.249 750 D CB 0.133 40.951 40.800 0.030 0.000 1.531 750 D HN 1.801 nan 8.370 nan 0.000 0.449 751 G N -0.469 108.291 108.800 -0.068 0.000 2.746 751 G HA2 0.572 4.532 3.960 -0.000 0.000 0.297 751 G HA3 0.572 4.532 3.960 -0.000 0.000 0.297 751 G C -0.775 173.912 174.900 -0.355 0.000 1.426 751 G CA -0.531 44.453 45.100 -0.194 0.000 0.989 751 G HN 0.015 nan 8.290 nan 0.000 0.520 752 E N 0.891 120.825 120.200 -0.442 0.000 2.703 752 E HA 0.106 4.456 4.350 -0.000 0.000 0.214 752 E C 1.919 178.297 176.600 -0.369 0.000 0.944 752 E CA 0.280 56.452 56.400 -0.381 0.000 1.299 752 E CB 1.190 30.804 29.700 -0.143 0.000 1.189 752 E HN 0.670 nan 8.360 nan 0.000 0.597 753 G N 1.260 109.787 108.800 -0.454 0.000 2.517 753 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.222 753 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.222 753 G C 1.073 175.980 174.900 0.012 0.000 1.109 753 G CA 1.185 46.212 45.100 -0.122 0.000 0.746 753 G HN 0.296 nan 8.290 nan 0.000 0.576 754 Y N -0.313 120.008 120.300 0.035 0.000 2.607 754 Y HA 0.473 5.023 4.550 -0.000 0.000 0.266 754 Y C -0.138 175.799 175.900 0.061 0.000 1.178 754 Y CA -2.102 56.020 58.100 0.036 0.000 1.226 754 Y CB -0.765 37.706 38.460 0.019 0.000 1.144 754 Y HN -0.008 nan 8.280 nan 0.000 0.528 755 N N -0.013 118.688 118.700 0.002 0.000 2.240 755 N HA 0.668 5.408 4.740 -0.000 0.000 0.302 755 N C -1.256 174.301 175.510 0.079 0.000 1.106 755 N CA -0.853 52.242 53.050 0.074 0.000 0.778 755 N CB 3.051 41.552 38.487 0.024 0.000 1.431 755 N HN 0.045 nan 8.380 nan 0.000 0.479 756 V N -0.555 119.442 119.914 0.138 0.000 3.096 756 V HA 0.751 4.871 4.120 -0.000 0.000 0.310 756 V C -0.580 175.561 176.094 0.078 0.000 1.438 756 V CA 0.031 62.391 62.300 0.099 0.000 1.042 756 V CB 1.520 33.407 31.823 0.107 0.000 1.069 756 V HN 0.973 nan 8.190 nan 0.000 0.470 757 A N 0.509 123.361 122.820 0.053 0.000 3.410 757 A HA -0.156 4.164 4.320 -0.000 0.000 0.253 757 A C 0.618 178.241 177.584 0.066 0.000 1.178 757 A CA 1.841 53.901 52.037 0.039 0.000 1.334 757 A CB -2.216 16.770 19.000 -0.024 0.000 1.097 757 A HN 1.815 nan 8.150 nan 0.000 0.921 758 Q N -3.481 116.354 119.800 0.060 0.000 2.481 758 Q HA -0.209 4.131 4.340 -0.000 0.000 0.258 758 Q C 0.020 176.073 176.000 0.089 0.000 0.961 758 Q CA 1.391 57.234 55.803 0.066 0.000 1.121 758 Q CB -2.364 26.415 28.738 0.067 0.000 1.503 758 Q HN 1.454 nan 8.270 nan 0.000 0.544 759 C N -0.126 119.225 119.300 0.085 0.000 2.779 759 C HA 0.418 4.878 4.460 -0.000 0.000 0.314 759 C C 1.334 176.370 174.990 0.077 0.000 1.231 759 C CA -0.311 58.772 59.018 0.107 0.000 1.652 759 C CB 1.271 29.090 27.740 0.132 0.000 2.198 759 C HN 0.721 nan 8.230 nan 0.000 0.483 760 N N 1.875 120.635 118.700 0.099 0.000 2.484 760 N HA -0.148 4.592 4.740 -0.000 0.000 0.193 760 N C 0.260 175.815 175.510 0.075 0.000 1.033 760 N CA 0.957 54.060 53.050 0.087 0.000 0.906 760 N CB -0.554 38.003 38.487 0.116 0.000 0.947 760 N HN 0.505 nan 8.380 nan 0.000 0.448 761 M N 0.937 120.558 119.600 0.036 0.000 2.286 761 M HA -0.020 4.460 4.480 -0.000 0.000 0.365 761 M C 0.559 177.032 176.300 0.288 0.000 1.443 761 M CA 0.295 55.659 55.300 0.107 0.000 0.951 761 M CB -0.633 31.804 32.600 -0.273 0.000 1.961 761 M HN 0.221 nan 8.290 nan 0.000 0.468 762 T N 2.623 117.416 114.554 0.399 0.000 2.947 762 T HA 0.344 4.694 4.350 -0.000 0.000 0.337 762 T C 0.899 175.711 174.700 0.186 0.000 1.139 762 T CA -0.787 61.468 62.100 0.259 0.000 0.992 762 T CB 0.070 69.044 68.868 0.178 0.000 1.043 762 T HN 0.658 nan 8.240 nan 0.000 0.498 763 K N 2.383 122.914 120.400 0.218 0.000 2.592 763 K HA -0.204 4.116 4.320 -0.000 0.000 0.196 763 K C 0.052 176.224 176.600 -0.714 0.000 1.034 763 K CA 1.352 57.529 56.287 -0.183 0.000 0.923 763 K CB -0.505 32.021 32.500 0.043 0.000 0.791 763 K HN 0.641 nan 8.250 nan 0.000 0.530 764 D N -0.436 119.665 120.400 -0.499 0.000 2.416 764 D HA 0.104 4.744 4.640 -0.000 0.000 0.240 764 D C 0.101 176.258 176.300 -0.238 0.000 1.250 764 D CA 0.295 54.146 54.000 -0.247 0.000 0.967 764 D CB 0.017 40.809 40.800 -0.015 0.000 1.059 764 D HN 0.258 nan 8.370 nan 0.000 0.512 765 W N 1.276 122.142 121.300 -0.723 0.000 3.905 765 W HA -0.279 4.381 4.660 -0.000 0.000 0.315 765 W C 0.278 176.617 176.519 -0.299 0.000 3.419 765 W CA -0.496 56.583 57.345 -0.444 0.000 1.451 765 W CB -1.046 28.278 29.460 -0.227 0.000 1.775 765 W HN 0.189 nan 8.180 nan 0.000 0.490 766 F N 1.540 121.557 119.950 0.112 0.000 2.583 766 F HA -0.436 4.091 4.527 -0.000 0.000 0.245 766 F C 1.981 177.660 175.800 -0.202 0.000 1.289 766 F CA 2.415 60.354 58.000 -0.101 0.000 1.753 766 F CB -2.519 36.443 39.000 -0.063 0.000 0.645 766 F HN 0.278 nan 8.300 nan 0.000 0.427 767 L N 0.295 121.548 121.223 0.050 0.000 2.270 767 L HA -0.167 4.173 4.340 -0.000 0.000 0.217 767 L C 1.985 178.804 176.870 -0.085 0.000 1.107 767 L CA 1.163 55.996 54.840 -0.012 0.000 0.772 767 L CB -0.405 41.681 42.059 0.044 0.000 0.902 767 L HN 0.202 nan 8.230 nan 0.000 0.439 768 V N -0.328 119.477 119.914 -0.183 0.000 2.407 768 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 768 V C 2.231 178.214 176.094 -0.185 0.000 1.055 768 V CA 1.964 64.104 62.300 -0.267 0.000 1.049 768 V CB -0.486 30.950 31.823 -0.645 0.000 0.662 768 V HN 0.550 nan 8.190 nan 0.000 0.455 769 Q N -1.164 118.513 119.800 -0.204 0.000 2.320 769 Q HA 0.213 4.553 4.340 -0.000 0.000 0.201 769 Q C 0.524 176.385 176.000 -0.232 0.000 0.910 769 Q CA 0.376 56.091 55.803 -0.147 0.000 0.946 769 Q CB 0.449 29.112 28.738 -0.125 0.000 1.062 769 Q HN 0.354 nan 8.270 nan 0.000 0.503 770 M N 0.186 119.684 119.600 -0.171 0.000 3.101 770 M HA 0.322 4.802 4.480 -0.000 0.000 0.307 770 M C -0.743 175.549 176.300 -0.013 0.000 1.315 770 M CA 0.128 55.362 55.300 -0.111 0.000 0.734 770 M CB 0.619 33.146 32.600 -0.122 0.000 1.392 770 M HN 0.108 nan 8.290 nan 0.000 0.496 771 L N -0.825 120.417 121.223 0.032 0.000 4.292 771 L HA 0.212 4.552 4.340 -0.000 0.000 0.456 771 L C 0.496 177.434 176.870 0.114 0.000 1.071 771 L CA 0.238 55.122 54.840 0.074 0.000 1.614 771 L CB 0.106 42.210 42.059 0.075 0.000 1.447 771 L HN 0.347 nan 8.230 nan 0.000 0.552 772 A N -1.431 121.457 122.820 0.114 0.000 2.377 772 A HA 0.279 4.599 4.320 -0.000 0.000 0.174 772 A C 1.143 178.820 177.584 0.155 0.000 1.663 772 A CA 0.192 52.315 52.037 0.143 0.000 1.219 772 A CB 0.340 19.430 19.000 0.151 0.000 1.499 772 A HN 0.301 nan 8.150 nan 0.000 0.481 773 N N -1.846 116.936 118.700 0.138 0.000 2.672 773 N HA 0.208 4.948 4.740 -0.000 0.000 0.229 773 N C -1.002 174.725 175.510 0.363 0.000 1.043 773 N CA 0.419 53.568 53.050 0.166 0.000 0.932 773 N CB 0.853 39.358 38.487 0.031 0.000 1.500 773 N HN 0.258 nan 8.380 nan 0.000 0.445 774 Y N 1.183 121.594 120.300 0.184 0.000 2.409 774 Y HA 0.377 4.927 4.550 -0.000 0.000 0.343 774 Y C -0.724 175.200 175.900 0.039 0.000 0.973 774 Y CA -1.370 56.869 58.100 0.231 0.000 1.064 774 Y CB 1.054 39.697 38.460 0.306 0.000 1.207 774 Y HN -0.082 nan 8.280 nan 0.000 0.452 775 N N 3.332 122.146 118.700 0.190 0.000 2.527 775 N HA 0.556 5.296 4.740 -0.000 0.000 0.236 775 N C -0.392 174.971 175.510 -0.244 0.000 0.999 775 N CA -0.076 52.976 53.050 0.004 0.000 0.935 775 N CB 0.556 39.100 38.487 0.095 0.000 1.132 775 N HN 0.605 nan 8.380 nan 0.000 0.511 776 I N -0.251 120.128 120.570 -0.319 0.000 1.715 776 I HA 0.776 4.946 4.170 -0.000 0.000 0.286 776 I C 0.961 176.854 176.117 -0.374 0.000 0.367 776 I CA -0.477 60.570 61.300 -0.423 0.000 3.325 776 I CB -0.125 37.511 38.000 -0.606 0.000 1.547 776 I HN 0.424 nan 8.210 nan 0.000 0.547 777 G N 0.414 108.975 108.800 -0.399 0.000 2.464 777 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.216 777 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.216 777 G C 0.176 174.773 174.900 -0.505 0.000 1.186 777 G CA 0.522 45.463 45.100 -0.266 0.000 1.010 777 G HN 1.404 nan 8.290 nan 0.000 0.585 778 Y N 1.315 121.469 120.300 -0.243 0.000 2.716 778 Y HA 0.288 4.838 4.550 -0.000 0.000 0.302 778 Y C 1.614 177.358 175.900 -0.260 0.000 1.160 778 Y CA 1.289 59.271 58.100 -0.196 0.000 1.362 778 Y CB -0.742 37.669 38.460 -0.082 0.000 0.988 778 Y HN 0.531 nan 8.280 nan 0.000 0.546 779 Q N 0.730 119.992 119.800 -0.897 0.000 2.834 779 Q HA 0.585 4.925 4.340 -0.000 0.000 0.271 779 Q C 0.638 176.304 176.000 -0.558 0.000 1.196 779 Q CA -0.114 55.275 55.803 -0.690 0.000 1.063 779 Q CB 0.773 29.060 28.738 -0.751 0.000 1.265 779 Q HN 0.477 nan 8.270 nan 0.000 0.526 780 G N 0.549 109.028 108.800 -0.536 0.000 2.593 780 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.237 780 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.237 780 G C -0.802 173.582 174.900 -0.859 0.000 1.312 780 G CA -0.493 44.353 45.100 -0.423 0.000 0.896 780 G HN 0.380 nan 8.290 nan 0.000 0.574 781 F N -0.967 118.964 119.950 -0.031 0.000 2.741 781 F HA 0.767 5.294 4.527 -0.000 0.000 0.311 781 F C 0.216 176.070 175.800 0.089 0.000 1.149 781 F CA -0.013 57.973 58.000 -0.024 0.000 0.930 781 F CB 1.568 40.567 39.000 -0.001 0.000 1.312 781 F HN 1.126 nan 8.300 nan 0.000 0.450 782 Y N -0.073 120.348 120.300 0.201 0.000 2.955 782 Y HA 0.814 5.364 4.550 -0.000 0.000 0.330 782 Y C -2.334 173.581 175.900 0.025 0.000 1.480 782 Y CA -1.451 56.692 58.100 0.072 0.000 1.096 782 Y CB 1.632 40.103 38.460 0.018 0.000 1.828 782 Y HN 0.673 nan 8.280 nan 0.000 0.428 783 I N 2.120 122.773 120.570 0.137 0.000 2.787 783 I HA 0.468 4.638 4.170 -0.000 0.000 0.294 783 I C -3.027 172.692 176.117 -0.662 0.000 1.365 783 I CA -1.981 59.229 61.300 -0.150 0.000 1.029 783 I CB 2.996 40.955 38.000 -0.070 0.000 1.313 783 I HN 0.456 nan 8.210 nan 0.000 0.431 784 P HA 0.406 nan 4.420 nan 0.000 0.286 784 P C -0.605 176.460 177.300 -0.392 0.000 1.261 784 P CA -0.374 62.319 63.100 -0.677 0.000 0.821 784 P CB 1.103 32.370 31.700 -0.722 0.000 1.013 785 E N 0.509 120.460 120.200 -0.415 0.000 3.753 785 E HA 0.069 4.419 4.350 -0.000 0.000 0.554 785 E C 1.498 177.905 176.600 -0.321 0.000 0.301 785 E CA 0.080 56.261 56.400 -0.365 0.000 3.317 785 E CB -0.075 29.337 29.700 -0.481 0.000 2.350 785 E HN 0.333 nan 8.360 nan 0.000 0.382 786 S N 0.293 115.762 115.700 -0.385 0.000 2.343 786 S HA -0.189 4.281 4.470 -0.000 0.000 0.212 786 S C 2.069 176.599 174.600 -0.117 0.000 1.033 786 S CA 1.748 59.826 58.200 -0.204 0.000 1.004 786 S CB -0.911 62.214 63.200 -0.125 0.000 0.977 786 S HN 0.451 nan 8.310 nan 0.000 0.427 787 Y N 2.519 122.818 120.300 -0.001 0.000 2.446 787 Y HA -0.088 4.462 4.550 -0.000 0.000 0.287 787 Y C 1.522 177.441 175.900 0.032 0.000 1.159 787 Y CA 0.515 58.625 58.100 0.016 0.000 1.297 787 Y CB -0.885 37.582 38.460 0.011 0.000 0.974 787 Y HN 0.229 nan 8.280 nan 0.000 0.557 788 K N -0.223 120.218 120.400 0.069 0.000 2.758 788 K HA 0.037 4.357 4.320 -0.000 0.000 0.247 788 K C 0.093 176.743 176.600 0.084 0.000 1.155 788 K CA -0.085 56.250 56.287 0.079 0.000 1.011 788 K CB -0.384 32.091 32.500 -0.042 0.000 1.633 788 K HN -0.101 nan 8.250 nan 0.000 0.438 789 D N 2.014 122.361 120.400 -0.088 0.000 2.357 789 D HA -0.011 4.629 4.640 -0.000 0.000 0.265 789 D C -0.785 175.608 176.300 0.155 0.000 1.334 789 D CA 0.356 54.405 54.000 0.081 0.000 0.984 789 D CB 0.276 41.017 40.800 -0.099 0.000 1.077 789 D HN 0.036 nan 8.370 nan 0.000 0.514 790 R N 3.642 124.280 120.500 0.231 0.000 2.476 790 R HA 0.190 4.530 4.340 -0.000 0.000 0.305 790 R C 0.582 177.016 176.300 0.223 0.000 0.965 790 R CA -0.973 55.231 56.100 0.173 0.000 0.867 790 R CB 0.650 31.029 30.300 0.131 0.000 1.176 790 R HN 0.549 nan 8.270 nan 0.000 0.447 791 M N 2.518 122.221 119.600 0.171 0.000 2.239 791 M HA -0.371 4.109 4.480 -0.000 0.000 0.195 791 M C -1.198 175.270 176.300 0.280 0.000 0.341 791 M CA 1.691 57.092 55.300 0.169 0.000 0.375 791 M CB -0.587 32.109 32.600 0.160 0.000 1.117 791 M HN 0.742 nan 8.290 nan 0.000 0.916 792 Y N -3.392 116.938 120.300 0.049 0.000 2.245 792 Y HA 0.273 4.823 4.550 -0.000 0.000 0.208 792 Y C 0.397 176.358 175.900 0.101 0.000 1.913 792 Y CA -0.168 57.951 58.100 0.031 0.000 1.022 792 Y CB -0.012 38.462 38.460 0.022 0.000 3.341 792 Y HN 0.034 nan 8.280 nan 0.000 0.285 793 S N 2.672 118.592 115.700 0.366 0.000 4.216 793 S HA -0.296 4.174 4.470 -0.000 0.000 0.260 793 S C 0.190 174.889 174.600 0.165 0.000 0.746 793 S CA 0.894 59.279 58.200 0.308 0.000 1.304 793 S CB -1.322 62.202 63.200 0.540 0.000 1.988 793 S HN 0.720 nan 8.310 nan 0.000 0.386 794 F N 2.147 122.063 119.950 -0.056 0.000 2.046 794 F HA -0.482 4.045 4.527 -0.000 0.000 0.204 794 F C 1.364 177.198 175.800 0.057 0.000 1.275 794 F CA 2.961 60.926 58.000 -0.059 0.000 1.996 794 F CB -1.449 37.442 39.000 -0.182 0.000 0.522 794 F HN 0.585 nan 8.300 nan 0.000 0.283 795 F N 1.161 121.162 119.950 0.085 0.000 2.102 795 F HA -0.122 4.405 4.527 -0.000 0.000 0.298 795 F C 2.406 178.262 175.800 0.094 0.000 1.105 795 F CA 2.165 60.268 58.000 0.171 0.000 1.239 795 F CB -0.770 38.528 39.000 0.497 0.000 0.991 795 F HN 0.118 nan 8.300 nan 0.000 0.474 796 R N 1.049 121.415 120.500 -0.224 0.000 2.417 796 R HA -0.144 4.196 4.340 -0.000 0.000 0.220 796 R C 1.018 177.051 176.300 -0.445 0.000 1.128 796 R CA 1.593 57.465 56.100 -0.378 0.000 1.048 796 R CB -0.863 29.420 30.300 -0.029 0.000 0.835 796 R HN 0.452 nan 8.270 nan 0.000 0.483 797 N N -1.865 116.558 118.700 -0.462 0.000 2.317 797 N HA 0.008 4.748 4.740 -0.000 0.000 0.199 797 N C -0.413 174.871 175.510 -0.378 0.000 1.145 797 N CA 0.023 52.823 53.050 -0.416 0.000 0.882 797 N CB 0.405 38.640 38.487 -0.421 0.000 1.113 797 N HN 0.067 nan 8.380 nan 0.000 0.486 798 F N 1.546 121.154 119.950 -0.569 0.000 2.457 798 F HA 0.471 4.998 4.527 -0.000 0.000 0.330 798 F C -0.643 175.113 175.800 -0.074 0.000 1.069 798 F CA -0.074 57.735 58.000 -0.319 0.000 1.009 798 F CB 1.255 40.033 39.000 -0.371 0.000 1.276 798 F HN -0.205 nan 8.300 nan 0.000 0.492 799 Q N 3.079 122.524 119.800 -0.592 0.000 3.038 799 Q HA 0.171 4.511 4.340 -0.000 0.000 0.198 799 Q C -2.847 172.881 176.000 -0.452 0.000 0.992 799 Q CA -1.273 54.424 55.803 -0.176 0.000 1.158 799 Q CB 1.977 30.683 28.738 -0.054 0.000 1.893 799 Q HN 0.264 nan 8.270 nan 0.000 0.561 800 P HA 0.525 nan 4.420 nan 0.000 0.287 800 P C -1.089 176.257 177.300 0.075 0.000 1.270 800 P CA -0.555 62.575 63.100 0.050 0.000 0.844 800 P CB 1.247 33.123 31.700 0.294 0.000 1.068 801 M N 0.662 120.311 119.600 0.081 0.000 2.761 801 M HA 0.628 5.108 4.480 -0.000 0.000 0.305 801 M C -0.455 176.026 176.300 0.302 0.000 1.235 801 M CA -0.029 55.393 55.300 0.203 0.000 0.850 801 M CB 2.196 34.837 32.600 0.069 0.000 1.744 801 M HN 0.299 nan 8.290 nan 0.000 0.480 802 S N -0.502 115.516 115.700 0.531 0.000 2.683 802 S HA 0.629 5.099 4.470 -0.000 0.000 0.278 802 S C -1.578 173.135 174.600 0.188 0.000 1.059 802 S CA -1.192 57.247 58.200 0.399 0.000 0.847 802 S CB 1.753 65.072 63.200 0.198 0.000 1.078 802 S HN 0.801 nan 8.310 nan 0.000 0.456 803 R N 0.312 120.878 120.500 0.110 0.000 3.015 803 R HA 0.784 5.124 4.340 -0.000 0.000 0.258 803 R C -1.735 174.544 176.300 -0.035 0.000 1.172 803 R CA -1.065 54.958 56.100 -0.127 0.000 1.003 803 R CB 0.644 30.722 30.300 -0.371 0.000 1.326 803 R HN 0.416 nan 8.270 nan 0.000 0.449 804 Q N 0.826 120.584 119.800 -0.070 0.000 2.333 804 Q HA 0.480 4.820 4.340 -0.000 0.000 0.267 804 Q C -0.765 175.227 176.000 -0.013 0.000 1.012 804 Q CA -0.706 55.079 55.803 -0.031 0.000 0.824 804 Q CB 2.212 30.924 28.738 -0.043 0.000 1.290 804 Q HN 0.583 nan 8.270 nan 0.000 0.449 805 V N 1.077 120.993 119.914 0.004 0.000 3.417 805 V HA 0.917 5.037 4.120 -0.000 0.000 0.297 805 V C -0.205 175.886 176.094 -0.006 0.000 1.271 805 V CA -0.460 61.844 62.300 0.005 0.000 1.012 805 V CB 1.157 32.990 31.823 0.017 0.000 1.241 805 V HN 0.651 nan 8.190 nan 0.000 0.477 806 V N -3.095 116.805 119.914 -0.024 0.000 3.159 806 V HA 0.668 4.788 4.120 -0.000 0.000 0.308 806 V C -1.355 174.701 176.094 -0.062 0.000 1.190 806 V CA -0.562 61.726 62.300 -0.021 0.000 1.037 806 V CB 1.970 33.818 31.823 0.043 0.000 1.060 806 V HN 0.848 nan 8.190 nan 0.000 0.437 807 D N 1.671 122.048 120.400 -0.039 0.000 2.317 807 D HA 0.362 5.002 4.640 -0.000 0.000 0.252 807 D C -0.040 176.218 176.300 -0.069 0.000 1.174 807 D CA 0.170 54.146 54.000 -0.040 0.000 0.866 807 D CB 1.704 42.486 40.800 -0.031 0.000 1.127 807 D HN 0.797 nan 8.370 nan 0.000 0.467 808 D N 1.026 121.346 120.400 -0.134 0.000 2.339 808 D HA 0.028 4.668 4.640 -0.000 0.000 0.217 808 D C 1.058 177.443 176.300 0.142 0.000 1.050 808 D CA 0.211 54.105 54.000 -0.177 0.000 0.856 808 D CB 0.634 41.349 40.800 -0.142 0.000 0.922 808 D HN 0.202 nan 8.370 nan 0.000 0.518 809 T N -0.919 113.693 114.554 0.096 0.000 3.010 809 T HA 0.112 4.462 4.350 -0.000 0.000 0.252 809 T C 1.418 176.179 174.700 0.101 0.000 0.963 809 T CA -0.053 62.110 62.100 0.105 0.000 0.952 809 T CB 0.589 69.497 68.868 0.067 0.000 1.182 809 T HN -0.077 nan 8.240 nan 0.000 0.495 810 K N 0.169 120.618 120.400 0.082 0.000 2.367 810 K HA 0.179 4.499 4.320 -0.000 0.000 0.194 810 K C -0.559 176.111 176.600 0.117 0.000 1.027 810 K CA 0.074 56.398 56.287 0.062 0.000 1.075 810 K CB 0.420 32.918 32.500 -0.003 0.000 0.845 810 K HN 0.183 nan 8.250 nan 0.000 0.529 811 Y N 1.443 121.774 120.300 0.052 0.000 2.385 811 Y HA 0.146 4.696 4.550 -0.000 0.000 0.341 811 Y C 0.355 176.340 175.900 0.142 0.000 0.965 811 Y CA -1.233 56.919 58.100 0.087 0.000 1.180 811 Y CB 0.989 39.489 38.460 0.066 0.000 1.139 811 Y HN -0.307 nan 8.280 nan 0.000 0.502 812 K N 3.007 123.630 120.400 0.371 0.000 2.596 812 K HA 0.141 4.461 4.320 -0.000 0.000 0.211 812 K C -0.215 176.487 176.600 0.170 0.000 1.046 812 K CA 0.251 56.669 56.287 0.219 0.000 1.202 812 K CB -0.086 32.507 32.500 0.156 0.000 0.925 812 K HN 0.601 nan 8.250 nan 0.000 0.486 813 D N -1.818 118.673 120.400 0.152 0.000 2.479 813 D HA -0.030 4.610 4.640 -0.000 0.000 0.216 813 D C -0.241 176.176 176.300 0.194 0.000 1.110 813 D CA -0.147 53.911 54.000 0.097 0.000 0.841 813 D CB -0.015 40.770 40.800 -0.025 0.000 1.040 813 D HN 0.105 nan 8.370 nan 0.000 0.505 814 Y N 1.906 122.190 120.300 -0.027 0.000 2.320 814 Y HA 0.477 5.027 4.550 -0.000 0.000 0.334 814 Y C -0.429 175.435 175.900 -0.061 0.000 1.055 814 Y CA -0.282 57.736 58.100 -0.138 0.000 1.143 814 Y CB 0.833 39.145 38.460 -0.246 0.000 1.193 814 Y HN -0.283 nan 8.280 nan 0.000 0.477 815 Q N 3.895 123.225 119.800 -0.783 0.000 2.345 815 Q HA 0.225 4.565 4.340 -0.000 0.000 0.275 815 Q C -1.347 174.162 176.000 -0.819 0.000 1.063 815 Q CA -1.177 54.267 55.803 -0.598 0.000 0.819 815 Q CB 2.025 30.616 28.738 -0.245 0.000 1.356 815 Q HN 0.702 nan 8.270 nan 0.000 0.418 816 Q N 1.462 120.924 119.800 -0.563 0.000 2.457 816 Q HA 0.034 4.374 4.340 -0.000 0.000 0.285 816 Q C -0.498 175.368 176.000 -0.223 0.000 1.275 816 Q CA 0.238 55.832 55.803 -0.349 0.000 0.992 816 Q CB -0.247 28.409 28.738 -0.138 0.000 1.334 816 Q HN 0.280 nan 8.270 nan 0.000 0.460 817 V N 1.436 121.216 119.914 -0.223 0.000 2.872 817 V HA 0.182 4.302 4.120 -0.000 0.000 0.307 817 V C 1.122 177.158 176.094 -0.097 0.000 1.072 817 V CA 0.235 62.462 62.300 -0.120 0.000 1.148 817 V CB 0.776 32.549 31.823 -0.084 0.000 0.954 817 V HN 0.770 nan 8.190 nan 0.000 0.490 818 G N 2.978 111.744 108.800 -0.058 0.000 2.504 818 G HA2 0.438 4.398 3.960 -0.000 0.000 0.326 818 G HA3 0.438 4.398 3.960 -0.000 0.000 0.326 818 G C 0.891 175.678 174.900 -0.188 0.000 1.073 818 G CA -0.284 44.766 45.100 -0.085 0.000 1.030 818 G HN 1.034 nan 8.290 nan 0.000 0.448 819 I N 1.648 122.074 120.570 -0.240 0.000 2.358 819 I HA -0.327 3.843 4.170 -0.000 0.000 0.257 819 I C 1.708 177.638 176.117 -0.311 0.000 1.123 819 I CA 1.194 62.309 61.300 -0.309 0.000 1.393 819 I CB -0.260 37.576 38.000 -0.273 0.000 1.073 819 I HN 0.392 nan 8.210 nan 0.000 0.437 820 L N 1.227 122.219 121.223 -0.385 0.000 1.886 820 L HA -0.203 4.137 4.340 -0.000 0.000 0.226 820 L C 1.887 178.533 176.870 -0.373 0.000 1.091 820 L CA 1.799 56.360 54.840 -0.465 0.000 0.799 820 L CB -1.467 40.143 42.059 -0.748 0.000 0.889 820 L HN 0.314 nan 8.230 nan 0.000 0.429 821 H N 0.106 119.137 119.070 -0.065 0.000 4.930 821 H HA 0.001 4.557 4.556 -0.000 0.000 0.188 821 H C -0.211 175.072 175.328 -0.075 0.000 0.742 821 H CA 0.123 56.154 56.048 -0.029 0.000 1.264 821 H CB -1.372 28.374 29.762 -0.027 0.000 1.355 821 H HN 0.354 nan 8.280 nan 0.000 0.937 822 Q N 2.083 121.838 119.800 -0.075 0.000 2.721 822 Q HA 0.090 4.430 4.340 -0.000 0.000 0.257 822 Q C 0.097 176.038 176.000 -0.098 0.000 1.070 822 Q CA -0.525 55.188 55.803 -0.150 0.000 0.910 822 Q CB 0.500 29.081 28.738 -0.262 0.000 1.163 822 Q HN 0.729 nan 8.270 nan 0.000 0.501 823 H N -0.059 118.989 119.070 -0.037 0.000 2.423 823 H HA 0.561 5.117 4.556 -0.000 0.000 0.309 823 H C -0.063 175.253 175.328 -0.019 0.000 1.584 823 H CA -0.534 55.481 56.048 -0.055 0.000 1.504 823 H CB 0.975 30.669 29.762 -0.114 0.000 1.740 823 H HN 0.386 nan 8.280 nan 0.000 0.744 824 N N -1.803 116.996 118.700 0.165 0.000 4.770 824 N HA -0.155 4.585 4.740 -0.000 0.000 0.376 824 N C -0.879 174.636 175.510 0.008 0.000 2.061 824 N CA 0.450 53.551 53.050 0.086 0.000 2.617 824 N CB -0.503 37.998 38.487 0.023 0.000 0.520 824 N HN 0.867 nan 8.380 nan 0.000 0.562 825 N N -1.144 117.570 118.700 0.023 0.000 2.666 825 N HA -0.226 4.513 4.740 -0.000 0.000 0.248 825 N C -1.102 174.308 175.510 -0.166 0.000 1.118 825 N CA 1.709 54.801 53.050 0.070 0.000 0.722 825 N CB -1.080 37.490 38.487 0.137 0.000 1.050 825 N HN 0.724 nan 8.380 nan 0.000 0.550 826 S N -2.288 113.201 115.700 -0.352 0.000 2.536 826 S HA 0.733 5.203 4.470 -0.000 0.000 0.298 826 S C 1.021 175.322 174.600 -0.500 0.000 1.083 826 S CA 0.901 58.915 58.200 -0.310 0.000 0.995 826 S CB 2.673 65.812 63.200 -0.101 0.000 1.058 826 S HN 0.724 nan 8.310 nan 0.000 0.488 827 G N 3.099 111.717 108.800 -0.305 0.000 3.700 827 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.211 827 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.211 827 G C 0.715 175.563 174.900 -0.087 0.000 1.777 827 G CA 0.308 45.287 45.100 -0.201 0.000 1.460 827 G HN 1.473 nan 8.290 nan 0.000 0.615 828 F N 1.081 121.078 119.950 0.078 0.000 2.641 828 F HA 0.532 5.059 4.527 -0.000 0.000 0.298 828 F C 1.657 177.502 175.800 0.074 0.000 1.146 828 F CA 0.811 58.853 58.000 0.069 0.000 1.464 828 F CB -0.145 38.892 39.000 0.061 0.000 1.101 828 F HN 0.136 nan 8.300 nan 0.000 0.585 829 V N 1.812 121.879 119.914 0.255 0.000 3.110 829 V HA 0.351 4.471 4.120 -0.000 0.000 0.368 829 V C 1.116 177.292 176.094 0.137 0.000 1.332 829 V CA 0.076 62.521 62.300 0.241 0.000 1.287 829 V CB -0.728 31.205 31.823 0.184 0.000 1.277 829 V HN 0.632 nan 8.190 nan 0.000 0.502 830 G N 0.002 108.889 108.800 0.145 0.000 3.287 830 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.343 830 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.343 830 G C -0.008 175.006 174.900 0.191 0.000 0.304 830 G CA 0.401 45.595 45.100 0.156 0.000 1.257 830 G HN 0.880 nan 8.290 nan 0.000 0.567 831 Y N 2.268 122.598 120.300 0.050 0.000 2.915 831 Y HA -0.219 4.331 4.550 -0.000 0.000 0.223 831 Y C 1.650 177.569 175.900 0.031 0.000 1.055 831 Y CA 0.654 58.785 58.100 0.052 0.000 0.930 831 Y CB -0.889 37.641 38.460 0.116 0.000 1.091 831 Y HN 1.150 nan 8.280 nan 0.000 0.517 832 L N -0.384 120.878 121.223 0.065 0.000 4.241 832 L HA -0.288 4.052 4.340 -0.000 0.000 0.480 832 L C 0.635 177.438 176.870 -0.111 0.000 1.086 832 L CA 1.381 56.202 54.840 -0.033 0.000 0.653 832 L CB -1.440 40.589 42.059 -0.050 0.000 1.525 832 L HN 0.736 nan 8.230 nan 0.000 0.763 833 A N 2.000 124.787 122.820 -0.054 0.000 2.593 833 A HA 0.782 5.102 4.320 -0.000 0.000 0.304 833 A C -2.126 175.484 177.584 0.043 0.000 1.233 833 A CA -0.279 51.721 52.037 -0.063 0.000 0.661 833 A CB 0.735 19.637 19.000 -0.163 0.000 1.338 833 A HN 0.153 nan 8.150 nan 0.000 0.495 834 P HA 0.037 nan 4.420 nan 0.000 0.229 834 P C 0.974 178.332 177.300 0.097 0.000 1.160 834 P CA 1.329 64.488 63.100 0.099 0.000 0.777 834 P CB -0.456 31.296 31.700 0.087 0.000 0.814 835 T N 0.980 115.596 114.554 0.104 0.000 5.549 835 T HA -0.185 4.165 4.350 -0.000 0.000 0.481 835 T C 1.522 176.293 174.700 0.118 0.000 0.874 835 T CA 1.617 63.794 62.100 0.128 0.000 0.977 835 T CB -0.441 68.543 68.868 0.193 0.000 1.036 835 T HN 0.199 nan 8.240 nan 0.000 0.353 836 M N -0.092 119.585 119.600 0.129 0.000 2.260 836 M HA 0.256 4.736 4.480 -0.000 0.000 0.189 836 M C 0.576 176.958 176.300 0.138 0.000 1.833 836 M CA 0.199 55.570 55.300 0.117 0.000 1.037 836 M CB 0.810 33.462 32.600 0.086 0.000 1.463 836 M HN 0.542 nan 8.290 nan 0.000 0.594 837 R N 1.075 121.649 120.500 0.124 0.000 2.569 837 R HA 0.330 4.670 4.340 -0.000 0.000 0.429 837 R C -0.873 175.488 176.300 0.101 0.000 0.994 837 R CA -0.180 55.997 56.100 0.129 0.000 1.089 837 R CB -0.061 30.306 30.300 0.111 0.000 1.420 837 R HN 0.396 nan 8.270 nan 0.000 0.615 838 E N 1.015 121.280 120.200 0.108 0.000 2.321 838 E HA 0.175 4.525 4.350 -0.000 0.000 0.189 838 E C 0.312 176.950 176.600 0.065 0.000 1.125 838 E CA 0.346 56.791 56.400 0.075 0.000 1.005 838 E CB 0.902 30.663 29.700 0.102 0.000 1.140 838 E HN 0.612 nan 8.360 nan 0.000 0.457 839 G N 1.128 109.970 108.800 0.070 0.000 2.650 839 G HA2 0.340 4.300 3.960 -0.000 0.000 0.310 839 G HA3 0.340 4.300 3.960 -0.000 0.000 0.310 839 G C -1.645 173.285 174.900 0.049 0.000 1.270 839 G CA -0.733 44.392 45.100 0.042 0.000 0.810 839 G HN 0.117 nan 8.290 nan 0.000 0.493 840 Q N -0.991 118.817 119.800 0.013 0.000 2.423 840 Q HA 0.758 5.098 4.340 -0.000 0.000 0.278 840 Q C -0.768 175.224 176.000 -0.013 0.000 1.097 840 Q CA -1.107 54.733 55.803 0.062 0.000 0.809 840 Q CB 2.521 31.354 28.738 0.159 0.000 1.391 840 Q HN 0.988 nan 8.270 nan 0.000 0.428 841 A N 1.633 124.465 122.820 0.020 0.000 2.310 841 A HA 0.719 5.039 4.320 -0.000 0.000 0.299 841 A C -1.513 176.224 177.584 0.255 0.000 1.147 841 A CA -0.202 51.808 52.037 -0.045 0.000 0.818 841 A CB 0.377 19.436 19.000 0.098 0.000 1.096 841 A HN 0.602 nan 8.150 nan 0.000 0.495 842 Y N 0.163 120.433 120.300 -0.049 0.000 2.581 842 Y HA 0.436 4.986 4.550 -0.000 0.000 0.337 842 Y C -2.500 173.506 175.900 0.177 0.000 1.108 842 Y CA -2.150 55.994 58.100 0.072 0.000 1.033 842 Y CB 2.219 40.697 38.460 0.029 0.000 1.318 842 Y HN 0.465 nan 8.280 nan 0.000 0.459 843 P HA 0.313 nan 4.420 nan 0.000 0.244 843 P C -0.302 177.060 177.300 0.103 0.000 1.769 843 P CA 0.124 63.322 63.100 0.163 0.000 1.102 843 P CB -0.179 31.580 31.700 0.099 0.000 1.937 844 A N 3.028 125.888 122.820 0.066 0.000 2.928 844 A HA -0.276 4.044 4.320 -0.000 0.000 0.950 844 A C 1.146 178.619 177.584 -0.184 0.000 2.035 844 A CA 1.089 53.077 52.037 -0.083 0.000 2.459 844 A CB -1.065 17.924 19.000 -0.018 0.000 1.431 844 A HN 0.445 nan 8.150 nan 0.000 0.658 845 N N -1.628 116.972 118.700 -0.167 0.000 2.181 845 N HA 0.426 5.166 4.740 -0.000 0.000 0.207 845 N C -0.442 175.183 175.510 0.192 0.000 1.182 845 N CA 1.195 54.198 53.050 -0.079 0.000 0.893 845 N CB 0.376 38.764 38.487 -0.165 0.000 1.032 845 N HN 1.005 nan 8.380 nan 0.000 0.513 846 F N -0.207 119.725 119.950 -0.030 0.000 2.770 846 F HA 0.680 5.207 4.527 -0.000 0.000 0.313 846 F C -3.106 172.715 175.800 0.035 0.000 1.154 846 F CA -1.655 56.392 58.000 0.078 0.000 0.923 846 F CB 0.302 39.348 39.000 0.077 0.000 1.301 846 F HN -0.208 nan 8.300 nan 0.000 0.449 847 P HA 0.420 nan 4.420 nan 0.000 0.292 847 P C -1.832 175.540 177.300 0.120 0.000 1.304 847 P CA -0.503 62.408 63.100 -0.315 0.000 0.848 847 P CB 1.462 32.760 31.700 -0.670 0.000 1.260 848 Y N 0.205 120.456 120.300 -0.081 0.000 2.425 848 Y HA 0.279 4.829 4.550 -0.000 0.000 0.347 848 Y C -1.235 174.652 175.900 -0.022 0.000 0.976 848 Y CA -1.800 56.273 58.100 -0.044 0.000 1.190 848 Y CB 0.147 38.577 38.460 -0.050 0.000 1.136 848 Y HN 0.304 nan 8.280 nan 0.000 0.517 849 P HA 0.247 nan 4.420 nan 0.000 0.302 849 P C 0.037 177.396 177.300 0.099 0.000 1.301 849 P CA -0.291 62.844 63.100 0.060 0.000 0.745 849 P CB 1.501 33.209 31.700 0.013 0.000 1.331 850 L N -2.028 119.231 121.223 0.059 0.000 2.865 850 L HA 0.292 4.632 4.340 -0.000 0.000 0.167 850 L C 0.461 177.351 176.870 0.032 0.000 1.135 850 L CA -0.195 54.680 54.840 0.058 0.000 0.895 850 L CB -0.145 41.935 42.059 0.035 0.000 1.643 850 L HN 0.155 nan 8.230 nan 0.000 0.518 851 I N 0.810 121.388 120.570 0.014 0.000 2.948 851 I HA 0.071 4.240 4.170 -0.000 0.000 0.303 851 I C 1.252 177.372 176.117 0.005 0.000 1.224 851 I CA 1.573 62.876 61.300 0.005 0.000 1.442 851 I CB -0.089 37.909 38.000 -0.004 0.000 1.328 851 I HN 0.588 nan 8.210 nan 0.000 0.578 852 G N 4.426 113.228 108.800 0.003 0.000 2.261 852 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.228 852 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.228 852 G C -0.208 174.695 174.900 0.005 0.000 2.090 852 G CA 0.167 45.268 45.100 0.002 0.000 1.588 852 G HN 0.803 nan 8.290 nan 0.000 0.520 853 K N -0.071 120.336 120.400 0.011 0.000 2.712 853 K HA 0.534 4.854 4.320 -0.000 0.000 0.274 853 K C -1.604 175.010 176.600 0.024 0.000 1.025 853 K CA 0.232 56.526 56.287 0.013 0.000 0.904 853 K CB 1.118 33.623 32.500 0.009 0.000 1.392 853 K HN 1.279 nan 8.250 nan 0.000 0.392 854 T N 0.113 114.684 114.554 0.029 0.000 2.953 854 T HA 0.375 4.725 4.350 -0.000 0.000 0.354 854 T C -0.581 174.143 174.700 0.039 0.000 1.798 854 T CA -0.455 61.675 62.100 0.050 0.000 1.083 854 T CB 1.231 70.155 68.868 0.093 0.000 1.616 854 T HN 0.562 nan 8.240 nan 0.000 0.492 855 A N 1.512 124.363 122.820 0.051 0.000 2.543 855 A HA 0.534 4.854 4.320 -0.000 0.000 0.258 855 A C 1.042 178.620 177.584 -0.009 0.000 1.391 855 A CA -0.366 51.686 52.037 0.025 0.000 1.066 855 A CB -1.354 17.672 19.000 0.042 0.000 0.972 855 A HN 0.826 nan 8.150 nan 0.000 0.560 856 V N -0.097 119.798 119.914 -0.032 0.000 4.052 856 V HA 0.061 4.181 4.120 -0.000 0.000 0.299 856 V C -0.025 175.830 176.094 -0.398 0.000 1.079 856 V CA 0.394 62.559 62.300 -0.225 0.000 1.167 856 V CB -0.205 31.552 31.823 -0.111 0.000 1.153 856 V HN 0.803 nan 8.190 nan 0.000 0.479 857 D N -1.281 118.728 120.400 -0.651 0.000 2.400 857 D HA 0.572 5.212 4.640 -0.000 0.000 0.197 857 D C -1.260 174.812 176.300 -0.381 0.000 1.295 857 D CA -0.210 53.521 54.000 -0.447 0.000 0.878 857 D CB 1.037 41.591 40.800 -0.409 0.000 1.659 857 D HN 0.636 nan 8.370 nan 0.000 0.546 858 S N 1.043 116.626 115.700 -0.194 0.000 2.579 858 S HA 0.432 4.902 4.470 -0.000 0.000 0.290 858 S C -0.637 173.925 174.600 -0.063 0.000 1.123 858 S CA -0.917 57.214 58.200 -0.114 0.000 0.894 858 S CB 0.948 64.093 63.200 -0.092 0.000 1.095 858 S HN 0.410 nan 8.310 nan 0.000 0.450 859 I N 1.640 122.186 120.570 -0.040 0.000 3.944 859 I HA 0.592 4.762 4.170 -0.000 0.000 0.259 859 I C 0.637 176.749 176.117 -0.008 0.000 1.337 859 I CA -0.841 60.445 61.300 -0.022 0.000 1.104 859 I CB 0.836 38.827 38.000 -0.016 0.000 1.465 859 I HN 0.769 nan 8.210 nan 0.000 0.564 860 T N 0.009 114.565 114.554 0.002 0.000 2.856 860 T HA 0.570 4.920 4.350 -0.000 0.000 0.283 860 T C -0.563 174.154 174.700 0.029 0.000 1.008 860 T CA -0.698 61.411 62.100 0.016 0.000 0.997 860 T CB 2.810 71.688 68.868 0.017 0.000 0.992 860 T HN 0.564 nan 8.240 nan 0.000 0.454 861 Q N 1.062 120.890 119.800 0.047 0.000 2.495 861 Q HA 0.617 4.957 4.340 -0.000 0.000 0.287 861 Q C -1.530 174.525 176.000 0.092 0.000 1.078 861 Q CA -0.824 55.017 55.803 0.064 0.000 0.793 861 Q CB 2.550 31.327 28.738 0.065 0.000 1.459 861 Q HN 1.010 nan 8.270 nan 0.000 0.422 862 K N -0.220 120.242 120.400 0.105 0.000 2.756 862 K HA 0.500 4.820 4.320 -0.000 0.000 0.286 862 K C -1.399 175.277 176.600 0.127 0.000 1.029 862 K CA -0.874 55.495 56.287 0.137 0.000 0.791 862 K CB 1.137 33.720 32.500 0.137 0.000 1.481 862 K HN 0.667 nan 8.250 nan 0.000 0.360 863 K N -0.607 119.875 120.400 0.136 0.000 2.228 863 K HA 0.627 4.947 4.320 -0.000 0.000 0.261 863 K C -1.512 175.210 176.600 0.203 0.000 0.941 863 K CA -0.862 55.504 56.287 0.133 0.000 0.792 863 K CB 1.487 33.999 32.500 0.019 0.000 1.495 863 K HN 0.598 nan 8.250 nan 0.000 0.387 864 F N -0.528 119.394 119.950 -0.046 0.000 2.745 864 F HA 0.771 5.298 4.527 -0.000 0.000 0.316 864 F C -2.341 173.337 175.800 -0.203 0.000 1.155 864 F CA -0.994 56.958 58.000 -0.080 0.000 0.937 864 F CB 1.535 40.542 39.000 0.011 0.000 1.361 864 F HN 0.467 nan 8.300 nan 0.000 0.472 865 L N 1.763 122.505 121.223 -0.801 0.000 2.465 865 L HA 0.709 5.049 4.340 -0.000 0.000 0.257 865 L C -1.738 174.509 176.870 -1.037 0.000 0.988 865 L CA -0.452 53.728 54.840 -1.101 0.000 0.827 865 L CB 2.345 43.962 42.059 -0.736 0.000 1.397 865 L HN 1.112 nan 8.230 nan 0.000 0.410 866 C N 2.528 121.266 119.300 -0.938 0.000 2.491 866 C HA 0.181 4.641 4.460 -0.000 0.000 0.384 866 C C -0.126 174.741 174.990 -0.204 0.000 0.776 866 C CA -0.387 58.340 59.018 -0.484 0.000 1.125 866 C CB -0.917 26.756 27.740 -0.113 0.000 1.382 866 C HN 0.973 nan 8.230 nan 0.000 0.571 867 D N 1.677 121.941 120.400 -0.227 0.000 2.366 867 D HA 0.077 4.717 4.640 -0.000 0.000 0.205 867 D C 1.472 177.541 176.300 -0.384 0.000 1.022 867 D CA 0.205 54.182 54.000 -0.037 0.000 0.868 867 D CB 0.087 40.951 40.800 0.107 0.000 0.953 867 D HN 0.681 nan 8.370 nan 0.000 0.514 868 R N 0.787 121.079 120.500 -0.346 0.000 1.419 868 R HA 0.116 4.456 4.340 -0.000 0.000 0.062 868 R C 0.436 176.536 176.300 -0.333 0.000 0.448 868 R CA 0.224 56.060 56.100 -0.440 0.000 2.080 868 R CB -1.020 29.077 30.300 -0.339 0.000 0.473 868 R HN -0.030 nan 8.270 nan 0.000 0.770 869 T N 1.384 115.755 114.554 -0.306 0.000 2.701 869 T HA -0.150 4.200 4.350 -0.000 0.000 0.269 869 T C 0.240 174.897 174.700 -0.072 0.000 1.011 869 T CA 0.568 62.571 62.100 -0.161 0.000 1.157 869 T CB 0.106 68.831 68.868 -0.239 0.000 1.063 869 T HN 0.172 nan 8.240 nan 0.000 0.457 870 L N 1.488 122.605 121.223 -0.177 0.000 2.464 870 L HA 0.651 4.991 4.340 -0.000 0.000 0.264 870 L C -0.906 175.684 176.870 -0.466 0.000 1.062 870 L CA -1.071 53.247 54.840 -0.870 0.000 0.935 870 L CB 1.467 42.830 42.059 -1.160 0.000 1.603 870 L HN 0.894 nan 8.230 nan 0.000 0.528 871 W N 1.537 122.793 121.300 -0.072 0.000 2.283 871 W HA 0.511 5.170 4.660 -0.000 0.000 0.317 871 W C 0.097 176.670 176.519 0.090 0.000 1.042 871 W CA -0.652 56.715 57.345 0.037 0.000 1.348 871 W CB 0.210 29.631 29.460 -0.066 0.000 1.216 871 W HN 0.235 nan 8.180 nan 0.000 0.404 872 R N 4.994 125.667 120.500 0.289 0.000 2.205 872 R HA 0.344 4.684 4.340 -0.000 0.000 0.342 872 R C -0.690 175.780 176.300 0.284 0.000 1.058 872 R CA -0.443 55.791 56.100 0.223 0.000 0.904 872 R CB 0.174 30.567 30.300 0.155 0.000 1.089 872 R HN 0.722 nan 8.270 nan 0.000 0.471 873 I N 5.986 126.789 120.570 0.389 0.000 2.388 873 I HA 0.369 4.539 4.170 -0.000 0.000 0.281 873 I C -2.309 174.040 176.117 0.388 0.000 1.046 873 I CA -2.303 59.319 61.300 0.536 0.000 1.187 873 I CB 1.478 40.031 38.000 0.920 0.000 1.351 873 I HN 0.286 nan 8.210 nan 0.000 0.472 874 P HA 0.195 nan 4.420 nan 0.000 0.298 874 P C 0.574 177.921 177.300 0.079 0.000 1.314 874 P CA -0.417 62.724 63.100 0.070 0.000 0.854 874 P CB 1.760 33.494 31.700 0.056 0.000 1.019 875 F N 2.631 122.578 119.950 -0.006 0.000 2.645 875 F HA -0.314 4.213 4.527 -0.000 0.000 0.314 875 F C 0.823 176.005 175.800 -1.030 0.000 1.435 875 F CA 1.905 59.666 58.000 -0.398 0.000 1.295 875 F CB -1.774 37.188 39.000 -0.064 0.000 0.839 875 F HN 0.484 nan 8.300 nan 0.000 0.645 876 S N -0.887 114.526 115.700 -0.478 0.000 3.580 876 S HA -0.181 4.289 4.470 -0.000 0.000 0.472 876 S C 0.696 174.914 174.600 -0.637 0.000 0.730 876 S CA 0.563 58.474 58.200 -0.482 0.000 1.324 876 S CB -1.249 61.808 63.200 -0.238 0.000 1.439 876 S HN 0.806 nan 8.310 nan 0.000 0.676 877 S N 1.679 117.176 115.700 -0.338 0.000 2.795 877 S HA -0.033 4.437 4.470 -0.000 0.000 0.236 877 S C 1.033 175.727 174.600 0.156 0.000 0.973 877 S CA 0.969 59.157 58.200 -0.020 0.000 0.982 877 S CB -0.625 62.567 63.200 -0.013 0.000 0.786 877 S HN 0.930 nan 8.310 nan 0.000 0.538 878 N N -1.133 117.658 118.700 0.152 0.000 2.073 878 N HA 0.107 4.847 4.740 -0.000 0.000 0.227 878 N C -0.197 175.503 175.510 0.317 0.000 1.367 878 N CA -0.530 52.656 53.050 0.226 0.000 0.775 878 N CB -1.504 37.045 38.487 0.103 0.000 1.234 878 N HN 0.195 nan 8.380 nan 0.000 0.512 879 F N 1.689 121.688 119.950 0.082 0.000 2.600 879 F HA -0.239 4.288 4.527 -0.000 0.000 0.183 879 F C 0.090 175.937 175.800 0.079 0.000 1.068 879 F CA 0.669 58.730 58.000 0.102 0.000 0.810 879 F CB -0.897 38.180 39.000 0.129 0.000 0.643 879 F HN 0.249 nan 8.300 nan 0.000 0.838 880 M N 0.502 120.195 119.600 0.154 0.000 2.634 880 M HA 0.168 4.648 4.480 -0.000 0.000 0.211 880 M C 0.398 176.755 176.300 0.095 0.000 1.019 880 M CA -0.028 55.346 55.300 0.123 0.000 0.834 880 M CB 1.024 33.683 32.600 0.098 0.000 1.376 880 M HN 0.113 nan 8.290 nan 0.000 0.465 881 S N 1.628 117.394 115.700 0.110 0.000 2.573 881 S HA 0.326 4.796 4.470 -0.000 0.000 0.277 881 S C 0.833 175.491 174.600 0.097 0.000 1.346 881 S CA 0.410 58.666 58.200 0.092 0.000 1.034 881 S CB 0.537 63.800 63.200 0.104 0.000 0.879 881 S HN 0.671 nan 8.310 nan 0.000 0.528 882 M N 1.779 121.424 119.600 0.075 0.000 1.943 882 M HA 0.470 4.950 4.480 -0.000 0.000 0.186 882 M C 1.221 177.545 176.300 0.039 0.000 1.568 882 M CA 0.504 55.845 55.300 0.068 0.000 0.920 882 M CB -0.284 32.345 32.600 0.048 0.000 1.543 882 M HN 0.590 nan 8.290 nan 0.000 0.584 883 G N -0.277 108.535 108.800 0.020 0.000 3.680 883 G HA2 0.685 4.645 3.960 -0.000 0.000 0.211 883 G HA3 0.685 4.645 3.960 -0.000 0.000 0.211 883 G C 0.507 175.414 174.900 0.012 0.000 1.509 883 G CA 0.514 45.605 45.100 -0.015 0.000 0.868 883 G HN 0.590 nan 8.290 nan 0.000 0.759 884 A N -0.131 122.709 122.820 0.033 0.000 3.324 884 A HA 0.797 5.117 4.320 -0.000 0.000 0.196 884 A C -0.211 177.445 177.584 0.121 0.000 1.506 884 A CA -0.162 51.924 52.037 0.082 0.000 1.687 884 A CB -0.450 18.579 19.000 0.048 0.000 1.570 884 A HN 0.252 nan 8.150 nan 0.000 0.533 885 L N 0.935 122.223 121.223 0.110 0.000 2.452 885 L HA 0.399 4.739 4.340 -0.000 0.000 0.267 885 L C 0.696 177.586 176.870 0.033 0.000 1.188 885 L CA 0.874 55.792 54.840 0.130 0.000 0.821 885 L CB 0.805 42.917 42.059 0.089 0.000 1.102 885 L HN 0.756 nan 8.230 nan 0.000 0.470 886 T N -0.589 113.945 114.554 -0.034 0.000 2.930 886 T HA 0.285 4.635 4.350 -0.000 0.000 0.290 886 T C 0.544 175.082 174.700 -0.271 0.000 1.052 886 T CA -0.642 61.326 62.100 -0.220 0.000 1.017 886 T CB 0.959 69.538 68.868 -0.482 0.000 1.137 886 T HN 0.580 nan 8.240 nan 0.000 0.511 887 D N 2.208 122.465 120.400 -0.239 0.000 2.378 887 D HA -0.001 4.639 4.640 -0.000 0.000 0.222 887 D C 1.757 177.871 176.300 -0.310 0.000 0.980 887 D CA 0.531 54.404 54.000 -0.213 0.000 0.907 887 D CB -0.262 40.459 40.800 -0.133 0.000 0.899 887 D HN 0.366 nan 8.370 nan 0.000 0.527 888 L N 0.950 121.886 121.223 -0.479 0.000 1.925 888 L HA 0.016 4.356 4.340 -0.000 0.000 0.214 888 L C 2.729 179.222 176.870 -0.628 0.000 1.091 888 L CA 1.903 56.405 54.840 -0.564 0.000 0.768 888 L CB -1.166 40.243 42.059 -1.083 0.000 0.887 888 L HN 0.153 nan 8.230 nan 0.000 0.433 889 G N -0.526 107.918 108.800 -0.594 0.000 2.631 889 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.219 889 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.219 889 G C 1.328 175.962 174.900 -0.443 0.000 1.214 889 G CA 1.263 46.438 45.100 0.125 0.000 0.785 889 G HN 0.615 nan 8.290 nan 0.000 0.596 890 Q N 0.560 120.199 119.800 -0.269 0.000 2.515 890 Q HA -0.063 4.277 4.340 -0.000 0.000 0.215 890 Q C 1.218 176.971 176.000 -0.412 0.000 0.983 890 Q CA 0.510 56.156 55.803 -0.263 0.000 0.905 890 Q CB -0.440 28.209 28.738 -0.147 0.000 0.961 890 Q HN 0.499 nan 8.270 nan 0.000 0.503 891 N N 0.891 119.158 118.700 -0.721 0.000 2.283 891 N HA -0.117 4.623 4.740 -0.000 0.000 0.236 891 N C 0.670 175.966 175.510 -0.356 0.000 1.252 891 N CA 0.000 52.729 53.050 -0.535 0.000 0.856 891 N CB 0.569 38.729 38.487 -0.546 0.000 1.099 891 N HN -0.034 nan 8.380 nan 0.000 0.444 892 L N 2.212 123.372 121.223 -0.105 0.000 1.955 892 L HA -0.116 4.224 4.340 -0.000 0.000 0.213 892 L C 1.011 177.949 176.870 0.112 0.000 1.072 892 L CA 1.428 56.266 54.840 -0.003 0.000 0.755 892 L CB -2.335 39.732 42.059 0.013 0.000 0.888 892 L HN 0.639 nan 8.230 nan 0.000 0.432 893 L N -2.026 119.320 121.223 0.204 0.000 2.415 893 L HA 0.115 4.455 4.340 -0.000 0.000 0.269 893 L C 0.622 177.810 176.870 0.530 0.000 1.244 893 L CA 0.744 55.749 54.840 0.275 0.000 1.113 893 L CB -1.260 40.923 42.059 0.207 0.000 1.352 893 L HN 0.081 nan 8.230 nan 0.000 0.433 894 Y N 0.347 120.711 120.300 0.107 0.000 2.450 894 Y HA 0.394 4.944 4.550 -0.000 0.000 0.279 894 Y C 1.926 177.851 175.900 0.040 0.000 1.106 894 Y CA 0.172 58.364 58.100 0.153 0.000 1.143 894 Y CB 0.751 39.298 38.460 0.146 0.000 1.328 894 Y HN 0.551 nan 8.280 nan 0.000 0.553 895 A N -0.228 122.689 122.820 0.163 0.000 2.358 895 A HA 0.129 4.449 4.320 -0.000 0.000 0.223 895 A C 0.817 178.415 177.584 0.024 0.000 1.218 895 A CA 0.288 52.360 52.037 0.059 0.000 0.942 895 A CB -0.070 18.966 19.000 0.060 0.000 1.005 895 A HN 0.366 nan 8.150 nan 0.000 0.514 896 N N -0.156 118.570 118.700 0.044 0.000 2.230 896 N HA 0.144 4.884 4.740 -0.000 0.000 0.202 896 N C -0.286 175.237 175.510 0.021 0.000 1.119 896 N CA 0.247 53.315 53.050 0.029 0.000 0.851 896 N CB 0.515 39.027 38.487 0.042 0.000 0.990 896 N HN 0.060 nan 8.380 nan 0.000 0.497 897 S N 0.336 116.035 115.700 -0.001 0.000 2.659 897 S HA 0.675 5.145 4.470 -0.000 0.000 0.312 897 S C -1.030 173.379 174.600 -0.318 0.000 1.114 897 S CA -0.674 57.487 58.200 -0.065 0.000 1.063 897 S CB 1.277 64.523 63.200 0.076 0.000 0.996 897 S HN 0.371 nan 8.310 nan 0.000 0.478 898 A N 4.763 127.436 122.820 -0.246 0.000 2.277 898 A HA 0.619 4.939 4.320 -0.000 0.000 0.318 898 A C 0.277 177.792 177.584 -0.116 0.000 1.339 898 A CA -0.619 51.280 52.037 -0.231 0.000 0.875 898 A CB 0.194 19.140 19.000 -0.091 0.000 1.158 898 A HN 0.901 nan 8.150 nan 0.000 0.514 899 H N 1.741 120.977 119.070 0.276 0.000 3.354 899 H HA 0.787 5.343 4.556 -0.000 0.000 0.115 899 H C 0.964 176.518 175.328 0.376 0.000 1.539 899 H CA 0.427 56.636 56.048 0.270 0.000 1.601 899 H CB 0.035 29.907 29.762 0.184 0.000 0.985 899 H HN 0.928 nan 8.280 nan 0.000 0.742 900 A N -0.734 122.490 122.820 0.674 0.000 4.887 900 A HA 0.415 4.735 4.320 -0.000 0.000 0.228 900 A C -1.715 176.098 177.584 0.382 0.000 0.933 900 A CA 0.069 52.483 52.037 0.628 0.000 0.598 900 A CB 0.348 19.523 19.000 0.293 0.000 1.909 900 A HN 0.375 nan 8.150 nan 0.000 0.946 901 L N -1.010 120.318 121.223 0.174 0.000 2.630 901 L HA 0.994 5.334 4.340 -0.000 0.000 0.249 901 L C -2.021 174.772 176.870 -0.129 0.000 1.130 901 L CA 0.345 55.117 54.840 -0.112 0.000 0.987 901 L CB 1.754 43.751 42.059 -0.104 0.000 1.575 901 L HN 1.050 nan 8.230 nan 0.000 0.386 902 D N 0.345 120.591 120.400 -0.256 0.000 2.886 902 D HA 0.591 5.231 4.640 -0.000 0.000 0.248 902 D C -1.505 174.630 176.300 -0.275 0.000 1.023 902 D CA -0.078 53.803 54.000 -0.200 0.000 0.786 902 D CB 0.586 41.312 40.800 -0.124 0.000 2.699 902 D HN 0.778 nan 8.370 nan 0.000 0.465 903 M N 1.351 120.791 119.600 -0.267 0.000 2.724 903 M HA 0.428 4.908 4.480 -0.000 0.000 0.280 903 M C -1.851 174.083 176.300 -0.610 0.000 1.090 903 M CA -0.274 54.804 55.300 -0.371 0.000 0.838 903 M CB 2.095 34.504 32.600 -0.318 0.000 1.729 903 M HN 0.399 nan 8.290 nan 0.000 0.530 904 T N 1.601 115.669 114.554 -0.809 0.000 2.816 904 T HA 0.979 5.329 4.350 -0.000 0.000 0.299 904 T C -1.840 172.244 174.700 -1.026 0.000 1.230 904 T CA -0.249 61.269 62.100 -0.970 0.000 1.007 904 T CB 1.393 70.024 68.868 -0.396 0.000 1.289 904 T HN 0.645 nan 8.240 nan 0.000 0.508 905 F N -0.525 119.399 119.950 -0.043 0.000 3.908 905 F HA 0.818 5.345 4.527 -0.000 0.000 0.327 905 F C -1.098 174.677 175.800 -0.042 0.000 1.027 905 F CA -1.143 56.815 58.000 -0.069 0.000 0.818 905 F CB 0.488 39.412 39.000 -0.126 0.000 1.715 905 F HN 0.668 nan 8.300 nan 0.000 0.487 906 E N -0.595 119.760 120.200 0.260 0.000 2.500 906 E HA 0.539 4.889 4.350 -0.000 0.000 0.288 906 E C -2.161 174.502 176.600 0.106 0.000 1.147 906 E CA -0.771 55.724 56.400 0.159 0.000 0.916 906 E CB 2.690 32.458 29.700 0.114 0.000 1.181 906 E HN 1.087 nan 8.360 nan 0.000 0.433 907 V N 0.287 120.276 119.914 0.124 0.000 2.532 907 V HA 0.403 4.523 4.120 -0.000 0.000 0.294 907 V C -0.756 175.422 176.094 0.141 0.000 1.036 907 V CA -0.787 61.620 62.300 0.178 0.000 0.876 907 V CB 1.692 33.663 31.823 0.247 0.000 1.012 907 V HN 0.773 nan 8.190 nan 0.000 0.432 908 D N 6.440 126.919 120.400 0.132 0.000 8.139 908 D HA -0.111 4.529 4.640 -0.000 0.000 0.164 908 D C -1.919 174.411 176.300 0.051 0.000 1.327 908 D CA 0.504 54.554 54.000 0.084 0.000 0.890 908 D CB -0.188 40.658 40.800 0.078 0.000 1.703 908 D HN 0.591 nan 8.370 nan 0.000 0.970 909 P HA -0.195 nan 4.420 nan 0.000 0.271 909 P C 0.560 177.866 177.300 0.010 0.000 1.145 909 P CA 0.716 63.837 63.100 0.036 0.000 0.751 909 P CB 0.557 32.279 31.700 0.036 0.000 0.742 910 M N 2.586 122.195 119.600 0.014 0.000 2.356 910 M HA 0.114 4.594 4.480 -0.000 0.000 0.219 910 M C 0.838 177.139 176.300 0.003 0.000 1.004 910 M CA 0.209 55.507 55.300 -0.004 0.000 1.427 910 M CB 0.517 33.123 32.600 0.010 0.000 1.197 910 M HN 0.346 nan 8.290 nan 0.000 0.739 911 D N -0.579 119.827 120.400 0.009 0.000 2.520 911 D HA 0.141 4.781 4.640 -0.000 0.000 0.223 911 D C -0.717 175.604 176.300 0.035 0.000 1.186 911 D CA 0.160 54.177 54.000 0.027 0.000 0.821 911 D CB 0.859 41.682 40.800 0.038 0.000 1.072 911 D HN 0.564 nan 8.370 nan 0.000 0.518 912 E N -0.473 119.746 120.200 0.031 0.000 2.390 912 E HA 0.357 4.707 4.350 -0.000 0.000 0.280 912 E C -3.137 173.484 176.600 0.034 0.000 0.992 912 E CA -2.006 54.415 56.400 0.034 0.000 0.790 912 E CB 1.051 30.771 29.700 0.034 0.000 1.248 912 E HN -0.384 nan 8.360 nan 0.000 0.447 913 P HA -0.087 nan 4.420 nan 0.000 0.212 913 P C -0.208 177.112 177.300 0.034 0.000 1.069 913 P CA 0.736 63.860 63.100 0.039 0.000 1.331 913 P CB -0.465 31.260 31.700 0.042 0.000 1.513 914 T N 2.068 116.645 114.554 0.037 0.000 4.600 914 T HA 0.156 4.506 4.350 -0.000 0.000 0.459 914 T C 0.826 175.545 174.700 0.030 0.000 1.031 914 T CA 0.105 62.226 62.100 0.036 0.000 1.058 914 T CB -0.015 68.881 68.868 0.046 0.000 1.340 914 T HN 0.155 nan 8.240 nan 0.000 0.459 915 L N -1.053 120.191 121.223 0.034 0.000 3.170 915 L HA 0.577 4.917 4.340 -0.000 0.000 0.286 915 L C -1.374 175.514 176.870 0.030 0.000 1.006 915 L CA -1.076 53.775 54.840 0.019 0.000 0.993 915 L CB 1.575 43.621 42.059 -0.021 0.000 1.549 915 L HN 0.634 nan 8.230 nan 0.000 0.387 916 L N -0.626 120.603 121.223 0.009 0.000 2.332 916 L HA 0.812 5.152 4.340 -0.000 0.000 0.242 916 L C -2.020 174.889 176.870 0.065 0.000 1.127 916 L CA -0.383 54.469 54.840 0.020 0.000 0.948 916 L CB 2.345 44.384 42.059 -0.033 0.000 1.553 916 L HN 0.505 nan 8.230 nan 0.000 0.419 917 Y N 1.740 121.976 120.300 -0.107 0.000 2.094 917 Y HA 0.427 4.977 4.550 -0.000 0.000 0.312 917 Y C -1.808 174.020 175.900 -0.120 0.000 1.189 917 Y CA -1.081 56.934 58.100 -0.142 0.000 1.633 917 Y CB 0.521 38.888 38.460 -0.154 0.000 1.290 917 Y HN 0.514 nan 8.280 nan 0.000 0.381 918 V N 4.434 124.332 119.914 -0.027 0.000 2.328 918 V HA 0.657 4.777 4.120 -0.000 0.000 0.278 918 V C -0.533 175.136 176.094 -0.708 0.000 1.021 918 V CA -0.819 61.279 62.300 -0.337 0.000 0.838 918 V CB 1.256 32.942 31.823 -0.229 0.000 0.999 918 V HN 0.365 nan 8.190 nan 0.000 0.447 919 L N 3.417 124.188 121.223 -0.752 0.000 2.295 919 L HA 0.702 5.042 4.340 -0.000 0.000 0.281 919 L C -0.537 176.051 176.870 -0.471 0.000 1.018 919 L CA -1.484 53.014 54.840 -0.570 0.000 0.841 919 L CB -0.477 41.301 42.059 -0.468 0.000 1.218 919 L HN 0.439 nan 8.230 nan 0.000 0.424 920 F N 0.202 120.256 119.950 0.172 0.000 2.389 920 F HA 0.345 4.872 4.527 -0.000 0.000 0.337 920 F C 1.154 176.914 175.800 -0.067 0.000 1.112 920 F CA -0.348 57.772 58.000 0.199 0.000 1.192 920 F CB 0.808 40.084 39.000 0.459 0.000 1.185 920 F HN 0.527 nan 8.300 nan 0.000 0.552 921 E N 1.961 122.025 120.200 -0.226 0.000 1.964 921 E HA 0.150 4.500 4.350 -0.000 0.000 0.264 921 E C 0.504 176.621 176.600 -0.805 0.000 1.120 921 E CA -0.405 55.671 56.400 -0.539 0.000 1.061 921 E CB 0.306 29.614 29.700 -0.654 0.000 1.190 921 E HN 0.613 nan 8.360 nan 0.000 0.459 922 V N 0.355 119.996 119.914 -0.454 0.000 2.418 922 V HA 0.392 4.512 4.120 -0.000 0.000 0.208 922 V C 0.525 175.999 176.094 -1.032 0.000 1.093 922 V CA 0.547 62.568 62.300 -0.465 0.000 1.139 922 V CB -0.229 31.623 31.823 0.048 0.000 0.720 922 V HN 0.290 nan 8.190 nan 0.000 0.483 923 F N -0.419 119.536 119.950 0.009 0.000 3.306 923 F HA 0.624 5.151 4.527 -0.000 0.000 0.326 923 F C -1.982 173.814 175.800 -0.006 0.000 1.169 923 F CA -0.456 57.522 58.000 -0.035 0.000 0.883 923 F CB 1.589 40.570 39.000 -0.032 0.000 1.505 923 F HN 0.594 nan 8.300 nan 0.000 0.504 924 D N 0.373 120.898 120.400 0.209 0.000 2.687 924 D HA 0.545 5.185 4.640 -0.000 0.000 0.213 924 D C -1.520 174.834 176.300 0.091 0.000 1.218 924 D CA -0.486 53.605 54.000 0.151 0.000 0.768 924 D CB 0.901 41.728 40.800 0.047 0.000 1.855 924 D HN 0.510 nan 8.370 nan 0.000 0.508 925 V N -1.621 118.590 119.914 0.495 0.000 3.202 925 V HA 0.981 5.101 4.120 -0.000 0.000 0.306 925 V C -0.097 176.370 176.094 0.621 0.000 1.283 925 V CA -0.729 61.884 62.300 0.523 0.000 1.065 925 V CB 1.347 33.319 31.823 0.248 0.000 1.079 925 V HN 1.102 nan 8.190 nan 0.000 0.448 926 V N -1.933 118.271 119.914 0.482 0.000 3.080 926 V HA 0.966 5.086 4.120 -0.000 0.000 0.311 926 V C -0.854 175.372 176.094 0.220 0.000 1.389 926 V CA -0.830 61.690 62.300 0.368 0.000 1.049 926 V CB 2.266 34.352 31.823 0.438 0.000 1.078 926 V HN 1.363 nan 8.190 nan 0.000 0.468 927 R N -0.263 120.336 120.500 0.165 0.000 5.084 927 R HA 0.384 4.724 4.340 -0.000 0.000 0.244 927 R C -2.008 174.338 176.300 0.077 0.000 0.947 927 R CA 0.171 56.323 56.100 0.086 0.000 1.334 927 R CB 1.414 31.743 30.300 0.049 0.000 1.209 927 R HN 1.969 nan 8.270 nan 0.000 0.675 928 V N 1.912 121.866 119.914 0.067 0.000 2.311 928 V HA 0.378 4.498 4.120 -0.000 0.000 0.275 928 V C 0.517 176.665 176.094 0.090 0.000 1.022 928 V CA -0.165 62.182 62.300 0.079 0.000 0.830 928 V CB 1.170 33.037 31.823 0.073 0.000 1.012 928 V HN 0.933 nan 8.190 nan 0.000 0.452 929 H N 5.172 124.243 119.070 0.001 0.000 2.329 929 H HA 0.164 4.720 4.556 -0.000 0.000 0.306 929 H C 1.639 176.970 175.328 0.005 0.000 1.062 929 H CA 1.427 57.470 56.048 -0.008 0.000 1.364 929 H CB 0.135 29.885 29.762 -0.021 0.000 1.409 929 H HN 0.855 nan 8.280 nan 0.000 0.519 930 R N 0.358 120.956 120.500 0.162 0.000 2.828 930 R HA -0.158 4.182 4.340 -0.000 0.000 0.233 930 R C -2.193 174.147 176.300 0.068 0.000 0.821 930 R CA 0.139 56.308 56.100 0.116 0.000 0.563 930 R CB -0.984 29.379 30.300 0.105 0.000 1.117 930 R HN 0.368 nan 8.270 nan 0.000 0.508 931 P HA -0.175 nan 4.420 nan 0.000 0.208 931 P C 0.199 177.553 177.300 0.091 0.000 1.180 931 P CA 1.516 64.584 63.100 -0.052 0.000 0.935 931 P CB -0.006 31.570 31.700 -0.206 0.000 0.785 932 H N -2.324 116.774 119.070 0.047 0.000 2.885 932 H HA 0.403 4.959 4.556 -0.000 0.000 0.263 932 H C 0.626 175.988 175.328 0.056 0.000 1.564 932 H CA -1.185 54.886 56.048 0.038 0.000 1.632 932 H CB 0.486 30.260 29.762 0.020 0.000 1.650 932 H HN -0.143 nan 8.280 nan 0.000 0.928 933 R N 0.013 120.624 120.500 0.184 0.000 2.229 933 R HA 0.366 4.706 4.340 -0.000 0.000 0.332 933 R C 0.224 176.547 176.300 0.038 0.000 0.989 933 R CA 0.372 56.534 56.100 0.103 0.000 0.842 933 R CB 0.445 30.769 30.300 0.040 0.000 1.119 933 R HN 0.910 nan 8.270 nan 0.000 0.456 934 G N 1.599 110.379 108.800 -0.032 0.000 2.176 934 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.232 934 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.232 934 G C -0.387 174.374 174.900 -0.233 0.000 0.986 934 G CA 0.010 44.897 45.100 -0.356 0.000 0.643 934 G HN 0.604 nan 8.290 nan 0.000 0.522 935 V N 1.178 121.106 119.914 0.024 0.000 2.715 935 V HA 0.880 5.000 4.120 -0.000 0.000 0.310 935 V C -0.452 175.743 176.094 0.169 0.000 1.054 935 V CA -0.155 62.191 62.300 0.077 0.000 0.928 935 V CB 1.754 33.620 31.823 0.073 0.000 1.007 935 V HN 0.974 nan 8.190 nan 0.000 0.437 936 I N 2.570 123.231 120.570 0.152 0.000 2.739 936 I HA 0.492 4.662 4.170 -0.000 0.000 0.287 936 I C -0.937 175.236 176.117 0.093 0.000 1.558 936 I CA -0.524 60.874 61.300 0.162 0.000 1.050 936 I CB 1.869 40.018 38.000 0.247 0.000 1.432 936 I HN 0.349 nan 8.210 nan 0.000 0.432 937 E N 3.824 124.059 120.200 0.058 0.000 2.151 937 E HA 0.491 4.841 4.350 -0.000 0.000 0.275 937 E C -0.803 175.773 176.600 -0.040 0.000 0.936 937 E CA -0.663 55.723 56.400 -0.024 0.000 0.777 937 E CB 2.294 31.916 29.700 -0.130 0.000 1.108 937 E HN 0.751 nan 8.360 nan 0.000 0.401 938 T N -0.179 114.329 114.554 -0.078 0.000 2.728 938 T HA 0.488 4.838 4.350 -0.000 0.000 0.296 938 T C 0.320 174.769 174.700 -0.417 0.000 0.940 938 T CA -0.730 61.278 62.100 -0.153 0.000 1.013 938 T CB 0.593 69.425 68.868 -0.060 0.000 0.912 938 T HN 0.108 nan 8.240 nan 0.000 0.484 939 V N 3.159 122.795 119.914 -0.463 0.000 3.074 939 V HA 0.860 4.980 4.120 -0.000 0.000 0.314 939 V C -0.617 175.133 176.094 -0.574 0.000 1.117 939 V CA -1.137 60.814 62.300 -0.582 0.000 1.014 939 V CB 1.183 32.884 31.823 -0.202 0.000 1.057 939 V HN 1.039 nan 8.190 nan 0.000 0.438 940 Y N 0.624 120.991 120.300 0.111 0.000 1.856 940 Y HA 0.765 5.315 4.550 -0.000 0.000 0.265 940 Y C -0.730 175.262 175.900 0.154 0.000 1.589 940 Y CA -1.187 57.011 58.100 0.162 0.000 1.059 940 Y CB -0.637 37.924 38.460 0.168 0.000 4.751 940 Y HN 0.863 nan 8.280 nan 0.000 0.140 941 L N 0.209 121.751 121.223 0.532 0.000 2.652 941 L HA 0.134 4.474 4.340 -0.000 0.000 0.343 941 L C -0.663 176.372 176.870 0.276 0.000 0.994 941 L CA 0.435 55.467 54.840 0.320 0.000 1.206 941 L CB -0.167 42.058 42.059 0.276 0.000 0.936 941 L HN 1.150 nan 8.230 nan 0.000 0.402 942 R N -0.303 120.338 120.500 0.235 0.000 2.643 942 R HA 0.720 5.060 4.340 -0.000 0.000 0.269 942 R C -1.671 174.774 176.300 0.241 0.000 1.037 942 R CA -0.087 56.163 56.100 0.250 0.000 0.894 942 R CB 2.243 32.697 30.300 0.256 0.000 1.238 942 R HN 0.655 nan 8.270 nan 0.000 0.459 943 T N 4.189 118.909 114.554 0.277 0.000 2.863 943 T HA 0.557 4.907 4.350 -0.000 0.000 0.285 943 T C -2.706 172.190 174.700 0.328 0.000 1.009 943 T CA -1.638 60.609 62.100 0.245 0.000 0.989 943 T CB 1.947 70.919 68.868 0.174 0.000 1.004 943 T HN 0.448 nan 8.240 nan 0.000 0.455 944 P HA 0.551 nan 4.420 nan 0.000 0.276 944 P C -0.462 176.827 177.300 -0.019 0.000 1.252 944 P CA -0.110 62.953 63.100 -0.061 0.000 0.802 944 P CB 0.450 31.982 31.700 -0.280 0.000 1.035 945 F N -2.062 117.948 119.950 0.101 0.000 2.183 945 F HA -0.254 4.273 4.527 -0.000 0.000 0.318 945 F C 1.312 177.154 175.800 0.070 0.000 0.660 945 F CA 1.197 59.232 58.000 0.058 0.000 0.912 945 F CB -2.205 36.827 39.000 0.054 0.000 4.135 945 F HN 0.601 nan 8.300 nan 0.000 0.137 946 S N -1.578 114.319 115.700 0.329 0.000 2.659 946 S HA 0.211 4.681 4.470 -0.000 0.000 0.264 946 S C 0.351 175.030 174.600 0.132 0.000 1.310 946 S CA 1.360 59.672 58.200 0.186 0.000 1.262 946 S CB -1.972 61.338 63.200 0.183 0.000 1.548 946 S HN 2.882 nan 8.310 nan 0.000 0.657 947 A N 0.338 123.239 122.820 0.135 0.000 3.570 947 A HA 0.553 4.873 4.320 -0.000 0.000 0.192 947 A C 0.816 178.447 177.584 0.079 0.000 1.297 947 A CA 0.914 53.005 52.037 0.090 0.000 1.173 947 A CB -1.551 17.492 19.000 0.072 0.000 0.812 947 A HN 2.757 nan 8.150 nan 0.000 0.391 948 G N 0.298 109.139 108.800 0.068 0.000 2.441 948 G HA2 0.424 4.384 3.960 -0.000 0.000 0.233 948 G HA3 0.424 4.384 3.960 -0.000 0.000 0.233 948 G C -0.795 174.129 174.900 0.041 0.000 1.703 948 G CA 0.941 46.072 45.100 0.051 0.000 1.020 948 G HN 1.656 nan 8.290 nan 0.000 0.600 949 N N 0.140 118.866 118.700 0.045 0.000 2.473 949 N HA 0.778 5.518 4.740 -0.000 0.000 0.291 949 N C 0.107 175.632 175.510 0.026 0.000 1.083 949 N CA 0.081 53.152 53.050 0.035 0.000 0.951 949 N CB 1.363 39.876 38.487 0.043 0.000 1.164 949 N HN 1.081 nan 8.380 nan 0.000 0.480 950 A N 2.047 124.877 122.820 0.017 0.000 2.893 950 A HA 0.362 4.682 4.320 -0.000 0.000 0.298 950 A C -0.995 176.592 177.584 0.005 0.000 1.227 950 A CA -0.672 51.371 52.037 0.010 0.000 0.845 950 A CB -0.168 18.838 19.000 0.010 0.000 1.430 950 A HN 0.659 nan 8.150 nan 0.000 0.493 951 T N -0.686 113.869 114.554 0.001 0.000 2.883 951 T HA 0.812 5.162 4.350 -0.000 0.000 0.296 951 T C 0.264 174.959 174.700 -0.008 0.000 1.117 951 T CA -0.277 61.822 62.100 -0.002 0.000 1.006 951 T CB 1.432 70.300 68.868 0.000 0.000 1.191 951 T HN 0.642 nan 8.240 nan 0.000 0.508 952 T N 0.000 114.549 114.554 -0.008 0.000 3.816 952 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 952 T CA 0.000 62.093 62.100 -0.012 0.000 1.349 952 T CB 0.000 68.862 68.868 -0.009 0.000 0.612 952 T HN 0.000 nan 8.240 nan 0.000 0.658