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_E 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 0.000 177.581 177.584 -0.005 0.000 1.274 2 A CA 0.000 52.038 52.037 0.002 0.000 0.836 2 A CB 0.000 19.005 19.000 0.009 0.000 0.831 3 T N 2.196 116.742 114.554 -0.013 0.000 2.809 3 T HA 0.606 4.956 4.350 -0.000 0.000 0.284 3 T C -2.802 171.880 174.700 -0.030 0.000 0.992 3 T CA -1.119 60.966 62.100 -0.025 0.000 0.957 3 T CB 1.456 70.302 68.868 -0.036 0.000 0.942 3 T HN 0.309 nan 8.240 nan 0.000 0.439 4 P HA 0.418 nan 4.420 nan 0.000 0.273 4 P C -0.078 177.171 177.300 -0.086 0.000 1.428 4 P CA -0.070 63.011 63.100 -0.032 0.000 0.995 4 P CB 0.741 32.433 31.700 -0.014 0.000 1.286 5 S N 1.872 117.515 115.700 -0.096 0.000 3.574 5 S HA 0.329 4.799 4.470 -0.000 0.000 0.212 5 S C 0.972 175.434 174.600 -0.230 0.000 1.056 5 S CA -0.425 57.679 58.200 -0.160 0.000 1.501 5 S CB -0.166 62.966 63.200 -0.114 0.000 0.931 5 S HN 0.372 nan 8.310 nan 0.000 0.630 6 M N 0.685 120.175 119.600 -0.184 0.000 2.320 6 M HA -0.247 4.233 4.480 -0.000 0.000 0.194 6 M C 0.696 176.804 176.300 -0.320 0.000 0.403 6 M CA 0.725 55.926 55.300 -0.165 0.000 0.399 6 M CB -1.173 31.400 32.600 -0.046 0.000 1.287 6 M HN 0.610 nan 8.290 nan 0.000 0.882 7 M N -3.079 116.103 119.600 -0.696 0.000 2.428 7 M HA 0.279 4.759 4.480 -0.000 0.000 0.239 7 M C -1.343 174.144 176.300 -1.355 0.000 1.121 7 M CA -0.521 53.738 55.300 -1.735 0.000 1.019 7 M CB -0.886 30.593 32.600 -1.869 0.000 1.485 7 M HN -0.156 nan 8.290 nan 0.000 0.484 8 P HA -0.292 nan 4.420 nan 0.000 0.232 8 P C 0.361 177.510 177.300 -0.252 0.000 0.768 8 P CA 1.914 64.811 63.100 -0.337 0.000 1.075 8 P CB -0.314 31.287 31.700 -0.165 0.000 0.715 9 Q N -2.300 117.476 119.800 -0.039 0.000 2.526 9 Q HA 0.110 4.450 4.340 -0.000 0.000 0.353 9 Q C -0.858 175.415 176.000 0.455 0.000 0.977 9 Q CA 0.177 56.093 55.803 0.189 0.000 1.027 9 Q CB -0.599 28.273 28.738 0.225 0.000 1.272 9 Q HN 0.388 nan 8.270 nan 0.000 0.420 10 W N -0.614 120.701 121.300 0.024 0.000 2.406 10 W HA 0.561 5.221 4.660 0.000 0.000 0.308 10 W C 0.406 176.944 176.519 0.032 0.000 0.965 10 W CA -1.367 55.993 57.345 0.025 0.000 1.589 10 W CB 0.028 29.498 29.460 0.017 0.000 1.417 10 W HN 0.101 nan 8.180 nan 0.000 0.415 11 S N -0.137 115.702 115.700 0.232 0.000 1.863 11 S HA -0.188 4.282 4.470 -0.000 0.000 0.094 11 S C 0.447 175.129 174.600 0.136 0.000 0.493 11 S CA -0.232 58.063 58.200 0.159 0.000 1.576 11 S CB -0.948 62.313 63.200 0.102 0.000 0.815 11 S HN 0.263 nan 8.310 nan 0.000 0.286 12 Y N 2.196 122.463 120.300 -0.054 0.000 2.529 12 Y HA 0.405 4.955 4.550 -0.000 0.000 0.290 12 Y C 1.188 176.970 175.900 -0.198 0.000 1.177 12 Y CA 0.531 58.542 58.100 -0.148 0.000 1.305 12 Y CB 0.154 38.570 38.460 -0.073 0.000 1.047 12 Y HN 0.265 nan 8.280 nan 0.000 0.522 13 M N -1.093 118.481 119.600 -0.044 0.000 2.625 13 M HA 0.171 4.651 4.480 -0.000 0.000 0.396 13 M C -0.220 176.075 176.300 -0.009 0.000 1.174 13 M CA 0.070 55.325 55.300 -0.076 0.000 0.898 13 M CB -0.211 32.392 32.600 0.005 0.000 1.450 13 M HN 0.123 nan 8.290 nan 0.000 0.522 14 H N -0.172 118.870 119.070 -0.047 0.000 2.932 14 H HA -0.184 4.372 4.556 -0.000 0.000 0.290 14 H C 0.918 176.218 175.328 -0.047 0.000 1.108 14 H CA 1.002 56.941 56.048 -0.180 0.000 1.172 14 H CB -1.844 27.662 29.762 -0.427 0.000 1.325 14 H HN 0.465 nan 8.280 nan 0.000 0.354 15 I N 0.532 121.182 120.570 0.133 0.000 2.138 15 I HA -0.173 3.997 4.170 -0.000 0.000 0.101 15 I C 1.371 177.576 176.117 0.147 0.000 1.420 15 I CA 0.785 62.162 61.300 0.129 0.000 1.057 15 I CB -0.389 37.692 38.000 0.135 0.000 1.458 15 I HN 0.146 nan 8.210 nan 0.000 0.803 16 S N 1.016 116.822 115.700 0.176 0.000 3.255 16 S HA -0.164 4.306 4.470 -0.000 0.000 0.393 16 S C 1.261 175.945 174.600 0.140 0.000 1.170 16 S CA 0.365 58.670 58.200 0.174 0.000 0.926 16 S CB -0.853 62.498 63.200 0.252 0.000 0.627 16 S HN 1.076 nan 8.310 nan 0.000 0.465 17 G N 1.806 110.677 108.800 0.118 0.000 3.122 17 G HA2 -0.463 3.497 3.960 -0.000 0.000 0.231 17 G HA3 -0.463 3.497 3.960 -0.000 0.000 0.231 17 G C 0.500 175.474 174.900 0.124 0.000 1.188 17 G CA 1.237 46.400 45.100 0.106 0.000 0.977 17 G HN 0.845 nan 8.290 nan 0.000 0.589 18 Q N 2.199 122.085 119.800 0.143 0.000 2.173 18 Q HA 0.197 4.537 4.340 -0.000 0.000 0.132 18 Q C 0.791 176.957 176.000 0.277 0.000 0.859 18 Q CA 0.389 56.306 55.803 0.188 0.000 1.013 18 Q CB -0.809 27.971 28.738 0.071 0.000 1.569 18 Q HN 0.611 nan 8.270 nan 0.000 0.355 19 D N -0.753 119.775 120.400 0.213 0.000 2.319 19 D HA -0.087 4.553 4.640 -0.000 0.000 0.235 19 D C 0.862 177.278 176.300 0.193 0.000 1.304 19 D CA 0.717 54.821 54.000 0.173 0.000 0.894 19 D CB 0.811 41.667 40.800 0.094 0.000 1.183 19 D HN 0.430 nan 8.370 nan 0.000 0.472 20 A N 0.888 123.752 122.820 0.075 0.000 1.908 20 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 20 A C 1.418 178.832 177.584 -0.284 0.000 1.181 20 A CA 1.482 53.461 52.037 -0.096 0.000 0.627 20 A CB -0.315 18.644 19.000 -0.067 0.000 0.818 20 A HN 0.420 nan 8.150 nan 0.000 0.445 21 S N 0.000 115.614 115.700 -0.144 0.000 4.120 21 S HA 0.417 4.887 4.470 -0.000 0.000 0.196 21 S C 0.031 174.556 174.600 -0.124 0.000 1.447 21 S CA 0.213 58.323 58.200 -0.150 0.000 0.939 21 S CB -0.184 62.976 63.200 -0.068 0.000 1.496 21 S HN 0.572 nan 8.310 nan 0.000 0.460 22 E N 0.991 121.052 120.200 -0.232 0.000 3.545 22 E HA 0.112 4.462 4.350 -0.000 0.000 0.137 22 E C -1.034 175.639 176.600 0.122 0.000 0.961 22 E CA -0.238 56.151 56.400 -0.018 0.000 1.550 22 E CB 0.179 29.963 29.700 0.139 0.000 1.080 22 E HN 0.656 nan 8.360 nan 0.000 0.368 23 Y N -1.764 118.474 120.300 -0.104 0.000 3.659 23 Y HA 0.258 4.808 4.550 -0.000 0.000 0.233 23 Y C -1.582 174.256 175.900 -0.104 0.000 0.637 23 Y CA -0.875 57.170 58.100 -0.093 0.000 1.167 23 Y CB -1.137 37.220 38.460 -0.172 0.000 1.236 23 Y HN -0.072 nan 8.280 nan 0.000 0.660 24 L N -0.134 120.946 121.223 -0.238 0.000 2.350 24 L HA 0.811 5.151 4.340 -0.000 0.000 0.260 24 L C 0.428 177.224 176.870 -0.123 0.000 1.015 24 L CA -1.427 53.301 54.840 -0.187 0.000 0.821 24 L CB 1.954 43.806 42.059 -0.345 0.000 1.370 24 L HN 0.055 nan 8.230 nan 0.000 0.416 25 S N 1.489 117.133 115.700 -0.094 0.000 2.568 25 S HA 0.109 4.579 4.470 -0.000 0.000 0.282 25 S C -1.559 172.965 174.600 -0.127 0.000 1.338 25 S CA -0.649 57.498 58.200 -0.088 0.000 1.045 25 S CB 0.866 64.015 63.200 -0.085 0.000 0.873 25 S HN 0.472 nan 8.310 nan 0.000 0.516 26 P HA -0.192 nan 4.420 nan 0.000 0.211 26 P C 1.222 178.419 177.300 -0.171 0.000 0.948 26 P CA 1.545 64.577 63.100 -0.114 0.000 1.010 26 P CB -0.316 31.333 31.700 -0.085 0.000 0.737 27 G N -1.397 107.266 108.800 -0.228 0.000 3.024 27 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.202 27 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.202 27 G C 0.846 175.383 174.900 -0.605 0.000 1.195 27 G CA 0.101 44.943 45.100 -0.430 0.000 0.924 27 G HN 0.159 nan 8.290 nan 0.000 0.500 28 L N -0.587 120.427 121.223 -0.349 0.000 2.731 28 L HA 0.345 4.685 4.340 -0.000 0.000 0.240 28 L C 2.025 178.763 176.870 -0.219 0.000 1.120 28 L CA 0.522 55.186 54.840 -0.293 0.000 0.913 28 L CB 0.883 42.806 42.059 -0.227 0.000 1.213 28 L HN 0.135 nan 8.230 nan 0.000 0.515 29 V N -1.934 117.876 119.914 -0.173 0.000 3.359 29 V HA 0.004 4.124 4.120 -0.000 0.000 0.245 29 V C 1.989 178.086 176.094 0.004 0.000 1.247 29 V CA 0.365 62.596 62.300 -0.116 0.000 1.145 29 V CB 0.398 32.137 31.823 -0.140 0.000 0.906 29 V HN 0.312 nan 8.190 nan 0.000 0.464 30 Q N 0.513 120.341 119.800 0.048 0.000 2.133 30 Q HA -0.209 4.131 4.340 -0.000 0.000 0.208 30 Q C 1.391 177.595 176.000 0.340 0.000 0.991 30 Q CA 1.987 57.906 55.803 0.192 0.000 0.867 30 Q CB -0.492 28.417 28.738 0.285 0.000 0.911 30 Q HN 0.746 nan 8.270 nan 0.000 0.417 31 F N -0.110 119.782 119.950 -0.097 0.000 2.818 31 F HA 0.218 4.745 4.527 -0.000 0.000 0.303 31 F C 1.031 176.787 175.800 -0.072 0.000 1.250 31 F CA -0.405 57.540 58.000 -0.091 0.000 1.409 31 F CB 0.110 39.052 39.000 -0.096 0.000 1.183 31 F HN -0.008 nan 8.300 nan 0.000 0.534 32 A N -0.160 122.716 122.820 0.093 0.000 2.665 32 A HA 0.382 4.702 4.320 -0.000 0.000 0.268 32 A C 1.145 178.739 177.584 0.017 0.000 1.044 32 A CA -0.246 51.804 52.037 0.022 0.000 0.993 32 A CB 0.238 19.220 19.000 -0.031 0.000 1.229 32 A HN 0.459 nan 8.150 nan 0.000 0.576 33 R N -2.187 118.328 120.500 0.025 0.000 3.353 33 R HA 0.283 4.623 4.340 -0.000 0.000 0.123 33 R C 1.619 177.909 176.300 -0.017 0.000 0.773 33 R CA 1.020 57.127 56.100 0.011 0.000 1.642 33 R CB -0.122 30.189 30.300 0.017 0.000 1.666 33 R HN 0.288 nan 8.270 nan 0.000 0.485 34 A N -0.098 122.686 122.820 -0.059 0.000 2.238 34 A HA 0.113 4.433 4.320 -0.000 0.000 0.208 34 A C 0.547 177.867 177.584 -0.439 0.000 1.177 34 A CA 1.563 53.460 52.037 -0.234 0.000 0.804 34 A CB 0.230 19.044 19.000 -0.310 0.000 0.823 34 A HN 0.226 nan 8.150 nan 0.000 0.482 35 T N -0.490 113.914 114.554 -0.249 0.000 3.872 35 T HA 0.081 4.431 4.350 -0.000 0.000 0.167 35 T C -0.160 174.553 174.700 0.023 0.000 0.514 35 T CA 0.320 62.336 62.100 -0.140 0.000 0.957 35 T CB -1.035 67.523 68.868 -0.517 0.000 1.330 35 T HN 0.530 nan 8.240 nan 0.000 0.527 36 E N 0.573 120.806 120.200 0.055 0.000 2.526 36 E HA 0.180 4.530 4.350 -0.000 0.000 0.208 36 E C 1.360 177.997 176.600 0.062 0.000 0.997 36 E CA 0.356 56.791 56.400 0.059 0.000 0.961 36 E CB 0.579 30.301 29.700 0.036 0.000 1.030 36 E HN 0.505 nan 8.360 nan 0.000 0.483 37 T N -2.194 112.418 114.554 0.096 0.000 3.087 37 T HA 0.049 4.399 4.350 -0.000 0.000 0.237 37 T C 1.662 176.441 174.700 0.131 0.000 0.990 37 T CA 0.068 62.221 62.100 0.088 0.000 1.160 37 T CB -0.744 68.171 68.868 0.079 0.000 0.923 37 T HN 0.173 nan 8.240 nan 0.000 0.442 38 Y N 0.638 120.933 120.300 -0.007 0.000 2.006 38 Y HA 0.089 4.639 4.550 -0.000 0.000 0.266 38 Y C 0.972 176.953 175.900 0.134 0.000 1.133 38 Y CA 1.232 59.351 58.100 0.031 0.000 1.098 38 Y CB -0.126 38.326 38.460 -0.014 0.000 0.969 38 Y HN 0.269 nan 8.280 nan 0.000 0.482 39 F N 1.537 121.591 119.950 0.172 0.000 2.300 39 F HA 0.233 4.760 4.527 -0.000 0.000 0.364 39 F C 0.298 176.146 175.800 0.081 0.000 1.090 39 F CA -1.715 56.347 58.000 0.103 0.000 1.200 39 F CB 0.096 39.155 39.000 0.098 0.000 1.493 39 F HN -0.139 nan 8.300 nan 0.000 0.518 40 S N 5.932 121.569 115.700 -0.105 0.000 3.448 40 S HA -0.064 4.406 4.470 -0.000 0.000 0.408 40 S C 0.443 174.982 174.600 -0.101 0.000 1.128 40 S CA 0.279 58.422 58.200 -0.094 0.000 1.339 40 S CB -0.455 62.671 63.200 -0.122 0.000 0.915 40 S HN 0.737 nan 8.310 nan 0.000 0.546 41 L N 3.203 124.434 121.223 0.012 0.000 3.039 41 L HA 0.334 4.674 4.340 -0.000 0.000 0.269 41 L C 2.088 178.994 176.870 0.060 0.000 1.169 41 L CA 0.166 55.039 54.840 0.056 0.000 0.986 41 L CB -0.364 41.771 42.059 0.126 0.000 1.377 41 L HN 0.735 nan 8.230 nan 0.000 0.575 42 N N 1.702 120.427 118.700 0.041 0.000 2.585 42 N HA -0.217 4.523 4.740 -0.000 0.000 0.188 42 N C 1.322 176.864 175.510 0.055 0.000 1.102 42 N CA 1.259 54.332 53.050 0.038 0.000 0.920 42 N CB 0.170 38.674 38.487 0.028 0.000 0.963 42 N HN 0.502 nan 8.380 nan 0.000 0.447 43 N N -0.310 118.421 118.700 0.052 0.000 2.205 43 N HA 0.027 4.767 4.740 -0.000 0.000 0.201 43 N C 1.083 176.652 175.510 0.098 0.000 1.128 43 N CA -0.280 52.803 53.050 0.055 0.000 0.867 43 N CB 0.314 38.810 38.487 0.016 0.000 0.996 43 N HN -0.045 nan 8.380 nan 0.000 0.503 44 K N 0.692 121.182 120.400 0.150 0.000 1.978 44 K HA 0.031 4.351 4.320 -0.000 0.000 0.221 44 K C -0.218 176.643 176.600 0.435 0.000 1.036 44 K CA 0.942 57.401 56.287 0.286 0.000 0.996 44 K CB -0.616 32.072 32.500 0.314 0.000 0.755 44 K HN 0.236 nan 8.250 nan 0.000 0.445 45 F N 2.721 122.716 119.950 0.074 0.000 2.334 45 F HA 0.102 4.629 4.527 -0.000 0.000 0.365 45 F C 1.048 176.889 175.800 0.068 0.000 1.124 45 F CA -1.400 56.650 58.000 0.083 0.000 1.166 45 F CB 0.826 39.905 39.000 0.131 0.000 1.355 45 F HN 0.124 nan 8.300 nan 0.000 0.532 46 R N 2.046 122.673 120.500 0.211 0.000 2.487 46 R HA -0.314 4.026 4.340 -0.000 0.000 0.192 46 R C -0.557 175.822 176.300 0.131 0.000 0.995 46 R CA 1.338 57.517 56.100 0.131 0.000 0.645 46 R CB -0.956 29.398 30.300 0.089 0.000 0.840 46 R HN 0.622 nan 8.270 nan 0.000 0.351 47 N N -0.875 117.902 118.700 0.129 0.000 3.987 47 N HA 0.030 4.770 4.740 -0.000 0.000 0.170 47 N C -2.785 172.789 175.510 0.107 0.000 1.436 47 N CA -0.535 52.584 53.050 0.114 0.000 0.843 47 N CB 1.403 39.935 38.487 0.075 0.000 1.734 47 N HN 0.263 nan 8.380 nan 0.000 0.746 48 P HA -0.101 nan 4.420 nan 0.000 0.272 48 P C 0.169 177.521 177.300 0.087 0.000 1.424 48 P CA 0.677 63.843 63.100 0.109 0.000 0.786 48 P CB -1.115 30.667 31.700 0.136 0.000 1.661 49 T N -0.624 113.973 114.554 0.072 0.000 2.855 49 T HA 0.274 4.624 4.350 -0.000 0.000 0.322 49 T C 0.834 175.567 174.700 0.055 0.000 1.088 49 T CA -0.253 61.884 62.100 0.062 0.000 1.104 49 T CB 0.929 69.828 68.868 0.052 0.000 0.996 49 T HN 0.238 nan 8.240 nan 0.000 0.549 50 V N -2.857 117.090 119.914 0.054 0.000 3.080 50 V HA 1.013 5.133 4.120 -0.000 0.000 0.311 50 V C -1.519 174.605 176.094 0.051 0.000 1.389 50 V CA -1.034 61.296 62.300 0.049 0.000 1.049 50 V CB 1.434 33.291 31.823 0.056 0.000 1.078 50 V HN 1.561 nan 8.190 nan 0.000 0.468 51 A N 1.354 124.204 122.820 0.051 0.000 2.547 51 A HA 0.881 5.201 4.320 -0.000 0.000 0.300 51 A C -2.771 174.851 177.584 0.063 0.000 1.061 51 A CA -0.247 51.825 52.037 0.059 0.000 0.808 51 A CB 0.378 19.414 19.000 0.060 0.000 1.304 51 A HN 1.259 nan 8.150 nan 0.000 0.393 52 P HA 0.841 nan 4.420 nan 0.000 0.330 52 P C -0.168 177.199 177.300 0.112 0.000 1.274 52 P CA -0.161 62.991 63.100 0.087 0.000 0.802 52 P CB 1.082 32.825 31.700 0.072 0.000 1.384 53 T N -4.291 110.339 114.554 0.127 0.000 3.533 53 T HA 0.270 4.620 4.350 -0.000 0.000 0.275 53 T C 0.097 174.889 174.700 0.154 0.000 1.000 53 T CA -0.551 61.625 62.100 0.126 0.000 1.015 53 T CB -1.494 67.428 68.868 0.091 0.000 1.153 53 T HN 0.756 nan 8.240 nan 0.000 0.504 54 H N -0.726 118.367 119.070 0.039 0.000 2.481 54 H HA 0.547 5.103 4.556 -0.000 0.000 0.339 54 H C -0.025 175.320 175.328 0.029 0.000 1.131 54 H CA -0.413 55.655 56.048 0.032 0.000 1.301 54 H CB 0.681 30.462 29.762 0.032 0.000 1.476 54 H HN 0.035 nan 8.280 nan 0.000 0.529 55 D N 1.860 122.083 120.400 -0.295 0.000 2.686 55 D HA -0.170 4.470 4.640 -0.000 0.000 0.235 55 D C -0.630 175.565 176.300 -0.174 0.000 1.160 55 D CA 1.075 54.882 54.000 -0.322 0.000 0.645 55 D CB -0.546 39.901 40.800 -0.589 0.000 1.039 55 D HN 0.402 nan 8.370 nan 0.000 0.423 56 V N -1.662 118.211 119.914 -0.069 0.000 4.247 56 V HA 0.285 4.405 4.120 -0.000 0.000 0.311 56 V C 0.827 176.931 176.094 0.017 0.000 1.570 56 V CA -0.300 61.990 62.300 -0.016 0.000 0.886 56 V CB 0.251 32.084 31.823 0.016 0.000 1.146 56 V HN 0.286 nan 8.190 nan 0.000 0.470 57 T N 0.842 115.424 114.554 0.047 0.000 2.785 57 T HA -0.019 4.331 4.350 -0.000 0.000 0.339 57 T C 0.561 175.296 174.700 0.058 0.000 1.047 57 T CA 0.771 62.915 62.100 0.074 0.000 1.135 57 T CB -0.559 68.370 68.868 0.101 0.000 1.085 57 T HN 0.911 nan 8.240 nan 0.000 0.510 58 T N 0.719 115.315 114.554 0.069 0.000 3.568 58 T HA 0.318 4.668 4.350 -0.000 0.000 0.406 58 T C 0.869 175.589 174.700 0.034 0.000 1.191 58 T CA 0.513 62.640 62.100 0.044 0.000 1.041 58 T CB -0.268 68.632 68.868 0.054 0.000 1.593 58 T HN 1.218 nan 8.240 nan 0.000 0.529 59 D N -2.657 117.756 120.400 0.022 0.000 4.435 59 D HA -0.068 4.572 4.640 -0.000 0.000 0.099 59 D C 0.776 177.078 176.300 0.003 0.000 0.397 59 D CA -0.135 53.875 54.000 0.016 0.000 0.575 59 D CB -0.937 39.874 40.800 0.019 0.000 1.641 59 D HN 0.281 nan 8.370 nan 0.000 0.017 60 R N 0.293 120.790 120.500 -0.005 0.000 2.056 60 R HA 0.539 4.879 4.340 -0.000 0.000 0.215 60 R C 0.230 176.521 176.300 -0.014 0.000 1.205 60 R CA 0.944 57.035 56.100 -0.016 0.000 1.020 60 R CB 0.267 30.546 30.300 -0.034 0.000 0.911 60 R HN 0.070 nan 8.270 nan 0.000 0.451 61 S N 0.210 115.901 115.700 -0.015 0.000 2.862 61 S HA 0.211 4.681 4.470 -0.000 0.000 0.148 61 S C -1.870 172.714 174.600 -0.027 0.000 0.829 61 S CA -0.519 57.670 58.200 -0.019 0.000 0.991 61 S CB -0.195 62.994 63.200 -0.019 0.000 1.607 61 S HN 0.211 nan 8.310 nan 0.000 0.474 62 Q N 1.757 121.537 119.800 -0.033 0.000 2.284 62 Q HA 0.461 4.801 4.340 -0.000 0.000 0.269 62 Q C -0.783 175.165 176.000 -0.087 0.000 1.026 62 Q CA -0.706 55.056 55.803 -0.067 0.000 0.831 62 Q CB 2.604 31.317 28.738 -0.041 0.000 1.322 62 Q HN 0.602 nan 8.270 nan 0.000 0.419 63 R N 1.735 122.143 120.500 -0.152 0.000 2.596 63 R HA 0.518 4.858 4.340 -0.000 0.000 0.267 63 R C -0.561 175.618 176.300 -0.203 0.000 1.026 63 R CA -0.190 55.829 56.100 -0.136 0.000 1.087 63 R CB 0.675 30.901 30.300 -0.124 0.000 1.132 63 R HN 0.572 nan 8.270 nan 0.000 0.531 64 L N -0.168 121.018 121.223 -0.062 0.000 2.714 64 L HA 0.282 4.622 4.340 -0.000 0.000 0.184 64 L C 0.381 177.394 176.870 0.239 0.000 1.317 64 L CA 0.317 55.216 54.840 0.099 0.000 2.279 64 L CB -0.446 41.691 42.059 0.130 0.000 2.140 64 L HN 0.602 nan 8.230 nan 0.000 1.029 65 T N 2.698 117.371 114.554 0.198 0.000 2.751 65 T HA 0.415 4.765 4.350 -0.000 0.000 0.290 65 T C -0.270 174.490 174.700 0.102 0.000 0.919 65 T CA 0.269 62.482 62.100 0.189 0.000 1.136 65 T CB -0.384 68.579 68.868 0.159 0.000 0.875 65 T HN 0.041 nan 8.240 nan 0.000 0.532 66 L N 3.101 124.377 121.223 0.088 0.000 2.333 66 L HA 0.601 4.941 4.340 -0.000 0.000 0.269 66 L C 0.781 177.552 176.870 -0.164 0.000 1.010 66 L CA -1.265 53.552 54.840 -0.038 0.000 0.818 66 L CB 1.594 43.640 42.059 -0.020 0.000 1.306 66 L HN 0.567 nan 8.230 nan 0.000 0.430 67 R N 1.366 121.682 120.500 -0.307 0.000 2.726 67 R HA 0.313 4.653 4.340 -0.000 0.000 0.272 67 R C -1.771 174.346 176.300 -0.304 0.000 1.097 67 R CA 0.057 55.880 56.100 -0.463 0.000 1.198 67 R CB 0.806 30.847 30.300 -0.432 0.000 1.114 67 R HN 0.453 nan 8.270 nan 0.000 0.550 68 F N 0.684 120.346 119.950 -0.480 0.000 2.630 68 F HA 0.455 4.982 4.527 -0.000 0.000 0.325 68 F C -0.995 174.574 175.800 -0.386 0.000 1.184 68 F CA -0.659 57.017 58.000 -0.541 0.000 1.011 68 F CB 1.584 40.010 39.000 -0.957 0.000 1.268 68 F HN 0.390 nan 8.300 nan 0.000 0.480 69 I N 6.963 127.594 120.570 0.101 0.000 2.474 69 I HA 0.457 4.627 4.170 -0.000 0.000 0.294 69 I C -1.967 174.494 176.117 0.573 0.000 1.005 69 I CA -1.849 59.711 61.300 0.433 0.000 1.113 69 I CB 1.772 39.864 38.000 0.153 0.000 1.289 69 I HN 0.368 nan 8.210 nan 0.000 0.436 70 P HA 0.060 nan 4.420 nan 0.000 0.323 70 P C 0.464 177.834 177.300 0.117 0.000 1.319 70 P CA -0.082 63.144 63.100 0.208 0.000 0.741 70 P CB 0.885 32.492 31.700 -0.155 0.000 1.545 71 V N -3.325 116.611 119.914 0.037 0.000 3.604 71 V HA 0.422 4.542 4.120 -0.000 0.000 0.277 71 V C -0.600 175.478 176.094 -0.027 0.000 1.399 71 V CA 0.699 63.009 62.300 0.016 0.000 1.034 71 V CB -0.566 31.268 31.823 0.018 0.000 0.824 71 V HN 0.528 nan 8.190 nan 0.000 0.439 72 D N -1.838 118.523 120.400 -0.065 0.000 3.008 72 D HA 0.269 4.909 4.640 -0.000 0.000 0.264 72 D C 0.059 176.256 176.300 -0.172 0.000 1.035 72 D CA -0.401 53.537 54.000 -0.104 0.000 0.749 72 D CB 0.989 41.730 40.800 -0.100 0.000 2.193 72 D HN 0.096 nan 8.370 nan 0.000 0.466 73 R N 1.470 121.841 120.500 -0.216 0.000 1.758 73 R HA 0.698 5.038 4.340 -0.000 0.000 0.141 73 R C -0.279 175.811 176.300 -0.349 0.000 2.075 73 R CA -0.334 55.591 56.100 -0.292 0.000 1.687 73 R CB 0.139 30.286 30.300 -0.256 0.000 1.239 73 R HN 0.441 nan 8.270 nan 0.000 0.477 74 E N 0.488 120.348 120.200 -0.566 0.000 3.064 74 E HA 0.030 4.380 4.350 -0.000 0.000 0.362 74 E C -2.003 174.125 176.600 -0.786 0.000 1.042 74 E CA -0.140 55.960 56.400 -0.499 0.000 0.686 74 E CB 0.349 29.902 29.700 -0.245 0.000 1.368 74 E HN 0.213 nan 8.360 nan 0.000 0.437 75 D N 3.473 123.516 120.400 -0.594 0.000 2.453 75 D HA 0.437 5.077 4.640 -0.000 0.000 0.223 75 D C -0.705 175.575 176.300 -0.033 0.000 1.183 75 D CA 0.866 54.702 54.000 -0.273 0.000 0.933 75 D CB 0.536 41.271 40.800 -0.109 0.000 1.038 75 D HN 0.513 nan 8.370 nan 0.000 0.513 76 T N 0.245 114.854 114.554 0.091 0.000 2.685 76 T HA 0.450 4.800 4.350 -0.000 0.000 0.255 76 T C 0.277 175.077 174.700 0.165 0.000 2.138 76 T CA -0.435 61.723 62.100 0.097 0.000 0.931 76 T CB -0.786 68.098 68.868 0.028 0.000 2.283 76 T HN 0.302 nan 8.240 nan 0.000 0.378 77 A N 0.497 123.383 122.820 0.111 0.000 2.625 77 A HA 0.092 4.412 4.320 -0.000 0.000 0.862 77 A C 0.476 178.238 177.584 0.295 0.000 1.651 77 A CA 1.130 53.235 52.037 0.114 0.000 2.558 77 A CB -1.205 17.796 19.000 0.003 0.000 1.457 77 A HN 1.477 nan 8.150 nan 0.000 0.815 78 Y N -0.191 120.231 120.300 0.204 0.000 2.790 78 Y HA 0.529 5.079 4.550 -0.000 0.000 0.348 78 Y C 0.130 176.197 175.900 0.277 0.000 1.183 78 Y CA -0.614 57.639 58.100 0.256 0.000 2.002 78 Y CB -1.813 36.822 38.460 0.292 0.000 2.086 78 Y HN 0.499 nan 8.280 nan 0.000 0.412 79 S N 0.552 116.522 115.700 0.451 0.000 2.645 79 S HA 0.525 4.995 4.470 -0.000 0.000 0.268 79 S C -1.831 172.935 174.600 0.277 0.000 1.110 79 S CA -1.123 57.260 58.200 0.304 0.000 0.823 79 S CB 1.315 64.634 63.200 0.197 0.000 1.091 79 S HN 0.409 nan 8.310 nan 0.000 0.466 80 Y N 1.277 121.520 120.300 -0.095 0.000 2.835 80 Y HA 0.154 4.704 4.550 -0.000 0.000 0.260 80 Y C -1.115 174.560 175.900 -0.375 0.000 0.927 80 Y CA -0.552 57.399 58.100 -0.249 0.000 1.405 80 Y CB 0.180 38.321 38.460 -0.533 0.000 1.146 80 Y HN 0.612 nan 8.280 nan 0.000 0.486 81 K N 1.012 121.228 120.400 -0.307 0.000 2.273 81 K HA 0.799 5.119 4.320 -0.000 0.000 0.287 81 K C -0.035 176.224 176.600 -0.568 0.000 1.089 81 K CA -0.245 55.687 56.287 -0.591 0.000 0.909 81 K CB 1.381 33.631 32.500 -0.416 0.000 1.123 81 K HN 0.307 nan 8.250 nan 0.000 0.473 82 A N 3.841 126.226 122.820 -0.726 0.000 2.409 82 A HA 0.250 4.570 4.320 -0.000 0.000 0.267 82 A C -0.301 176.912 177.584 -0.618 0.000 1.127 82 A CA -0.667 51.029 52.037 -0.567 0.000 0.795 82 A CB 0.151 18.857 19.000 -0.489 0.000 1.061 82 A HN 0.862 nan 8.150 nan 0.000 0.502 83 R N 3.353 123.558 120.500 -0.490 0.000 2.239 83 R HA 0.587 4.927 4.340 -0.000 0.000 0.332 83 R C -1.340 174.825 176.300 -0.225 0.000 0.988 83 R CA -0.188 55.722 56.100 -0.316 0.000 0.859 83 R CB 0.061 30.254 30.300 -0.179 0.000 1.148 83 R HN 0.599 nan 8.270 nan 0.000 0.482 84 F N 1.624 121.669 119.950 0.158 0.000 2.456 84 F HA 0.635 5.162 4.527 -0.000 0.000 0.364 84 F C 0.862 176.684 175.800 0.036 0.000 1.092 84 F CA -0.468 57.590 58.000 0.097 0.000 1.125 84 F CB 1.712 40.618 39.000 -0.157 0.000 1.543 84 F HN 0.518 nan 8.300 nan 0.000 0.504 85 T N -0.912 113.674 114.554 0.054 0.000 2.644 85 T HA 0.548 4.898 4.350 -0.000 0.000 0.288 85 T C -1.656 172.936 174.700 -0.179 0.000 1.332 85 T CA -0.697 61.424 62.100 0.035 0.000 1.077 85 T CB 1.290 70.262 68.868 0.174 0.000 1.799 85 T HN 0.429 nan 8.240 nan 0.000 0.451 86 L N -0.533 120.701 121.223 0.018 0.000 3.042 86 L HA 0.862 5.202 4.340 -0.000 0.000 0.282 86 L C -1.986 174.879 176.870 -0.010 0.000 1.032 86 L CA 0.300 55.144 54.840 0.007 0.000 1.001 86 L CB 1.116 43.132 42.059 -0.073 0.000 1.587 86 L HN 1.782 nan 8.230 nan 0.000 0.368 87 A N 0.572 123.350 122.820 -0.070 0.000 1.220 87 A HA 0.568 4.888 4.320 -0.000 0.000 0.208 87 A C -1.893 175.675 177.584 -0.026 0.000 0.908 87 A CA -0.046 51.931 52.037 -0.101 0.000 0.589 87 A CB -0.776 18.203 19.000 -0.035 0.000 0.484 87 A HN 1.479 nan 8.150 nan 0.000 0.322 88 V N 1.372 121.258 119.914 -0.047 0.000 2.444 88 V HA 0.874 4.994 4.120 -0.000 0.000 0.294 88 V C 1.146 177.245 176.094 0.009 0.000 1.022 88 V CA -0.222 62.105 62.300 0.044 0.000 0.850 88 V CB 0.959 32.858 31.823 0.127 0.000 0.992 88 V HN 2.015 nan 8.190 nan 0.000 0.426 89 G N 1.876 110.680 108.800 0.006 0.000 2.714 89 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.278 89 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.278 89 G C 0.187 175.048 174.900 -0.066 0.000 1.288 89 G CA -0.029 45.057 45.100 -0.024 0.000 1.027 89 G HN 0.922 nan 8.290 nan 0.000 0.607 90 D N 1.342 121.686 120.400 -0.094 0.000 2.483 90 D HA -0.041 4.599 4.640 -0.000 0.000 0.261 90 D C 0.089 176.129 176.300 -0.433 0.000 1.318 90 D CA 0.453 54.357 54.000 -0.161 0.000 1.201 90 D CB -0.919 39.833 40.800 -0.080 0.000 1.127 90 D HN 0.330 nan 8.370 nan 0.000 0.519 91 N N 3.069 121.598 118.700 -0.283 0.000 3.251 91 N HA -0.126 4.614 4.740 -0.000 0.000 0.258 91 N C -1.088 174.348 175.510 -0.123 0.000 1.076 91 N CA 0.034 52.917 53.050 -0.279 0.000 0.671 91 N CB -0.780 37.398 38.487 -0.516 0.000 1.089 91 N HN 0.606 nan 8.380 nan 0.000 0.583 92 R N -1.106 119.414 120.500 0.034 0.000 2.522 92 R HA 0.739 5.079 4.340 -0.000 0.000 0.273 92 R C -0.820 175.636 176.300 0.261 0.000 1.133 92 R CA -0.840 55.409 56.100 0.249 0.000 0.969 92 R CB 1.161 31.610 30.300 0.249 0.000 1.235 92 R HN 0.216 nan 8.270 nan 0.000 0.433 93 V N -0.173 119.828 119.914 0.145 0.000 2.859 93 V HA 0.345 4.465 4.120 -0.000 0.000 0.257 93 V C -0.579 175.246 176.094 -0.449 0.000 1.691 93 V CA -1.284 60.888 62.300 -0.213 0.000 0.901 93 V CB 0.995 32.797 31.823 -0.035 0.000 1.246 93 V HN 0.823 nan 8.190 nan 0.000 0.466 94 L N 0.225 121.012 121.223 -0.727 0.000 2.365 94 L HA 0.916 5.256 4.340 -0.000 0.000 0.267 94 L C -0.040 176.720 176.870 -0.183 0.000 1.033 94 L CA -0.052 54.521 54.840 -0.446 0.000 0.802 94 L CB 1.441 43.162 42.059 -0.564 0.000 1.267 94 L HN 0.855 nan 8.230 nan 0.000 0.457 95 D N 3.046 123.411 120.400 -0.058 0.000 2.264 95 D HA 0.137 4.777 4.640 -0.000 0.000 0.250 95 D C 0.771 177.064 176.300 -0.011 0.000 1.113 95 D CA -0.550 53.440 54.000 -0.016 0.000 0.871 95 D CB 1.402 42.229 40.800 0.044 0.000 1.167 95 D HN 0.839 nan 8.370 nan 0.000 0.447 96 M N 2.298 121.886 119.600 -0.019 0.000 2.788 96 M HA 0.073 4.553 4.480 -0.000 0.000 0.224 96 M C 0.641 176.947 176.300 0.010 0.000 1.078 96 M CA 0.249 55.543 55.300 -0.010 0.000 1.046 96 M CB -0.842 31.749 32.600 -0.016 0.000 1.690 96 M HN 0.275 nan 8.290 nan 0.000 0.532 97 A N 1.037 123.876 122.820 0.033 0.000 2.238 97 A HA 0.147 4.467 4.320 -0.000 0.000 0.208 97 A C 1.465 179.079 177.584 0.051 0.000 1.177 97 A CA 0.652 52.720 52.037 0.053 0.000 0.804 97 A CB -0.303 18.747 19.000 0.083 0.000 0.823 97 A HN 0.687 nan 8.150 nan 0.000 0.482 98 S N -0.062 115.663 115.700 0.042 0.000 2.558 98 S HA 0.341 4.811 4.470 -0.000 0.000 0.238 98 S C 0.055 174.694 174.600 0.065 0.000 1.183 98 S CA 0.200 58.439 58.200 0.065 0.000 1.185 98 S CB -0.662 62.581 63.200 0.072 0.000 1.003 98 S HN 0.457 nan 8.310 nan 0.000 0.478 99 T N -0.504 114.051 114.554 0.002 0.000 2.918 99 T HA 0.823 5.173 4.350 -0.000 0.000 0.286 99 T C -0.748 173.846 174.700 -0.176 0.000 1.026 99 T CA -0.709 61.363 62.100 -0.048 0.000 1.031 99 T CB 1.613 70.435 68.868 -0.076 0.000 1.046 99 T HN 1.193 nan 8.240 nan 0.000 0.479 100 Y N -0.072 119.886 120.300 -0.569 0.000 3.069 100 Y HA 0.549 5.099 4.550 -0.000 0.000 0.401 100 Y C -2.826 172.426 175.900 -1.080 0.000 1.245 100 Y CA -2.369 55.033 58.100 -1.163 0.000 1.142 100 Y CB 0.551 38.618 38.460 -0.654 0.000 1.904 100 Y HN 0.749 nan 8.280 nan 0.000 0.431 101 F N 1.519 121.141 119.950 -0.547 0.000 2.607 101 F HA 0.449 4.976 4.527 -0.000 0.000 0.322 101 F C -0.253 175.354 175.800 -0.321 0.000 1.176 101 F CA -0.988 56.725 58.000 -0.478 0.000 0.977 101 F CB 0.949 39.930 39.000 -0.032 0.000 1.242 101 F HN 0.701 nan 8.300 nan 0.000 0.465 102 D N 1.961 122.268 120.400 -0.155 0.000 2.232 102 D HA 0.468 5.108 4.640 -0.000 0.000 0.242 102 D C -0.239 176.208 176.300 0.246 0.000 1.330 102 D CA 0.774 54.862 54.000 0.147 0.000 0.954 102 D CB 0.605 41.612 40.800 0.345 0.000 1.202 102 D HN 0.373 nan 8.370 nan 0.000 0.530 103 I N -2.098 118.635 120.570 0.272 0.000 3.421 103 I HA 0.570 4.740 4.170 -0.000 0.000 0.319 103 I C -0.706 175.642 176.117 0.384 0.000 1.258 103 I CA -0.780 60.699 61.300 0.299 0.000 0.913 103 I CB 1.322 39.423 38.000 0.168 0.000 1.328 103 I HN 0.449 nan 8.210 nan 0.000 0.480 104 R N -0.728 120.043 120.500 0.452 0.000 3.231 104 R HA 0.604 4.944 4.340 -0.000 0.000 0.279 104 R C -0.874 175.724 176.300 0.498 0.000 0.990 104 R CA -0.114 56.253 56.100 0.444 0.000 0.879 104 R CB 1.646 32.137 30.300 0.318 0.000 1.289 104 R HN 1.321 nan 8.270 nan 0.000 0.529 105 G N 0.051 109.035 108.800 0.307 0.000 2.291 105 G HA2 0.257 4.217 3.960 -0.000 0.000 0.249 105 G HA3 0.257 4.217 3.960 -0.000 0.000 0.249 105 G C -2.043 172.731 174.900 -0.209 0.000 1.340 105 G CA -0.198 44.891 45.100 -0.018 0.000 1.017 105 G HN 0.527 nan 8.290 nan 0.000 0.470 106 V N 0.704 120.282 119.914 -0.560 0.000 2.569 106 V HA 0.680 4.800 4.120 -0.000 0.000 0.301 106 V C -0.415 175.288 176.094 -0.652 0.000 1.044 106 V CA -0.633 61.402 62.300 -0.442 0.000 0.874 106 V CB 1.314 32.949 31.823 -0.313 0.000 1.002 106 V HN 0.966 nan 8.190 nan 0.000 0.424 107 L N 4.430 125.446 121.223 -0.346 0.000 2.544 107 L HA 0.787 5.127 4.340 -0.000 0.000 0.256 107 L C -0.308 176.536 176.870 -0.044 0.000 1.097 107 L CA 0.117 54.888 54.840 -0.115 0.000 0.812 107 L CB 1.501 43.752 42.059 0.320 0.000 1.440 107 L HN 0.774 nan 8.230 nan 0.000 0.496 108 D N -0.709 119.732 120.400 0.068 0.000 2.349 108 D HA 0.143 4.783 4.640 -0.000 0.000 0.224 108 D C 0.062 176.436 176.300 0.122 0.000 1.323 108 D CA -0.219 53.844 54.000 0.105 0.000 0.917 108 D CB 0.620 41.448 40.800 0.047 0.000 1.524 108 D HN 0.556 nan 8.370 nan 0.000 0.505 109 R N 1.077 121.696 120.500 0.197 0.000 2.236 109 R HA 0.392 4.732 4.340 -0.000 0.000 0.208 109 R C 1.283 177.705 176.300 0.202 0.000 1.036 109 R CA 0.368 56.627 56.100 0.264 0.000 1.001 109 R CB 0.547 31.147 30.300 0.500 0.000 0.896 109 R HN 0.259 nan 8.270 nan 0.000 0.464 110 G N 0.359 109.280 108.800 0.202 0.000 2.657 110 G HA2 0.175 4.135 3.960 -0.000 0.000 0.303 110 G HA3 0.175 4.135 3.960 -0.000 0.000 0.303 110 G C -2.725 172.188 174.900 0.022 0.000 1.457 110 G CA -1.040 44.082 45.100 0.037 0.000 0.982 110 G HN -0.246 nan 8.290 nan 0.000 0.583 111 P HA 0.055 nan 4.420 nan 0.000 0.233 111 P C 0.626 177.842 177.300 -0.139 0.000 1.167 111 P CA 1.010 64.057 63.100 -0.087 0.000 0.770 111 P CB 0.321 31.956 31.700 -0.109 0.000 0.837 112 T N -3.894 110.559 114.554 -0.168 0.000 3.631 112 T HA 0.362 4.712 4.350 -0.000 0.000 0.256 112 T C -0.791 173.846 174.700 -0.104 0.000 1.187 112 T CA -0.570 61.395 62.100 -0.225 0.000 1.667 112 T CB -1.217 67.308 68.868 -0.571 0.000 0.804 112 T HN -0.129 nan 8.240 nan 0.000 0.639 113 F N 1.760 121.631 119.950 -0.131 0.000 2.377 113 F HA 0.652 5.179 4.527 -0.000 0.000 0.328 113 F C 0.309 176.064 175.800 -0.076 0.000 1.094 113 F CA -0.868 57.068 58.000 -0.106 0.000 1.093 113 F CB 0.935 39.872 39.000 -0.104 0.000 1.214 113 F HN 0.024 nan 8.300 nan 0.000 0.518 114 K N 5.840 126.614 120.400 0.623 0.000 2.723 114 K HA 0.223 4.543 4.320 -0.000 0.000 0.229 114 K C -2.401 174.243 176.600 0.072 0.000 1.022 114 K CA -1.478 54.965 56.287 0.259 0.000 1.045 114 K CB 1.770 34.273 32.500 0.005 0.000 1.227 114 K HN 0.254 nan 8.250 nan 0.000 0.516 115 P HA -0.032 nan 4.420 nan 0.000 0.245 115 P C -0.469 176.756 177.300 -0.124 0.000 1.212 115 P CA 0.435 63.466 63.100 -0.116 0.000 0.774 115 P CB -0.189 31.404 31.700 -0.178 0.000 0.999 116 Y N -3.606 116.527 120.300 -0.279 0.000 2.630 116 Y HA 0.745 5.295 4.550 -0.000 0.000 0.337 116 Y C 0.919 176.732 175.900 -0.144 0.000 1.051 116 Y CA -0.932 57.074 58.100 -0.157 0.000 1.121 116 Y CB 0.882 39.318 38.460 -0.039 0.000 1.299 116 Y HN -0.441 nan 8.280 nan 0.000 0.498 117 S N 0.475 116.050 115.700 -0.207 0.000 3.148 117 S HA 0.233 4.703 4.470 -0.000 0.000 0.246 117 S C 1.394 175.851 174.600 -0.238 0.000 1.041 117 S CA 0.264 58.339 58.200 -0.209 0.000 0.813 117 S CB -0.483 62.716 63.200 -0.001 0.000 0.813 117 S HN 1.118 nan 8.310 nan 0.000 0.546 118 G N 1.075 109.877 108.800 0.005 0.000 2.480 118 G HA2 0.248 4.208 3.960 -0.000 0.000 0.169 118 G HA3 0.248 4.208 3.960 -0.000 0.000 0.169 118 G C 0.127 175.133 174.900 0.175 0.000 1.566 118 G CA 1.527 46.702 45.100 0.126 0.000 0.887 118 G HN 0.556 nan 8.290 nan 0.000 0.423 119 T N -3.970 110.799 114.554 0.358 0.000 2.649 119 T HA 0.521 4.871 4.350 -0.000 0.000 0.287 119 T C -0.013 174.897 174.700 0.351 0.000 1.933 119 T CA 0.409 62.780 62.100 0.452 0.000 0.943 119 T CB 0.591 69.689 68.868 0.384 0.000 2.078 119 T HN 1.667 nan 8.240 nan 0.000 0.455 120 A N -0.819 122.182 122.820 0.301 0.000 2.412 120 A HA 0.163 4.483 4.320 -0.000 0.000 0.218 120 A C -0.787 176.847 177.584 0.083 0.000 2.874 120 A CA -0.400 51.711 52.037 0.124 0.000 1.545 120 A CB -1.030 17.998 19.000 0.046 0.000 0.293 120 A HN 0.696 nan 8.150 nan 0.000 0.533 121 Y N 2.351 122.674 120.300 0.039 0.000 2.697 121 Y HA 0.206 4.756 4.550 -0.000 0.000 0.349 121 Y C 1.305 177.191 175.900 -0.024 0.000 1.120 121 Y CA 0.808 58.939 58.100 0.051 0.000 1.468 121 Y CB 0.034 38.570 38.460 0.127 0.000 1.182 121 Y HN 0.429 nan 8.280 nan 0.000 0.525 122 N N 1.642 120.379 118.700 0.062 0.000 2.677 122 N HA -0.297 4.443 4.740 -0.000 0.000 0.249 122 N C 0.648 176.034 175.510 -0.207 0.000 1.073 122 N CA 0.829 53.863 53.050 -0.026 0.000 0.737 122 N CB -0.321 38.189 38.487 0.038 0.000 0.999 122 N HN 0.833 nan 8.380 nan 0.000 0.543 123 A N -0.394 122.214 122.820 -0.352 0.000 1.887 123 A HA 0.170 4.490 4.320 -0.000 0.000 0.210 123 A C 2.233 179.351 177.584 -0.776 0.000 1.221 123 A CA 0.546 51.944 52.037 -1.065 0.000 0.635 123 A CB -0.427 18.166 19.000 -0.679 0.000 0.881 123 A HN 0.277 nan 8.150 nan 0.000 0.456 124 L N 0.250 121.299 121.223 -0.289 0.000 2.230 124 L HA -0.236 4.104 4.340 -0.000 0.000 0.217 124 L C 1.873 178.690 176.870 -0.088 0.000 1.090 124 L CA 0.508 55.282 54.840 -0.110 0.000 0.771 124 L CB -1.214 40.822 42.059 -0.039 0.000 0.892 124 L HN 0.459 nan 8.230 nan 0.000 0.438 125 A N -0.137 122.598 122.820 -0.142 0.000 2.504 125 A HA 0.196 4.516 4.320 -0.000 0.000 0.242 125 A C -1.930 175.669 177.584 0.025 0.000 1.100 125 A CA -0.827 51.180 52.037 -0.050 0.000 0.786 125 A CB -0.651 18.317 19.000 -0.053 0.000 1.050 125 A HN 0.004 nan 8.150 nan 0.000 0.512 126 P HA 0.064 nan 4.420 nan 0.000 0.270 126 P C -0.525 176.957 177.300 0.303 0.000 1.221 126 P CA 0.242 63.434 63.100 0.154 0.000 0.788 126 P CB 0.235 32.000 31.700 0.108 0.000 0.904 127 K N 1.075 121.654 120.400 0.298 0.000 3.173 127 K HA 0.477 4.797 4.320 -0.000 0.000 0.255 127 K C 0.259 176.910 176.600 0.085 0.000 1.235 127 K CA -0.244 56.190 56.287 0.245 0.000 1.250 127 K CB -0.390 32.144 32.500 0.056 0.000 1.382 127 K HN 0.674 nan 8.250 nan 0.000 0.421 128 G N 0.723 109.602 108.800 0.132 0.000 3.021 128 G HA2 0.424 4.384 3.960 -0.000 0.000 0.243 128 G HA3 0.424 4.384 3.960 -0.000 0.000 0.243 128 G C -1.300 173.643 174.900 0.071 0.000 3.652 128 G CA -0.368 44.775 45.100 0.072 0.000 0.499 128 G HN 0.302 nan 8.290 nan 0.000 0.342 129 A N 3.045 125.909 122.820 0.075 0.000 2.560 129 A HA 0.861 5.181 4.320 -0.000 0.000 0.300 129 A C -2.764 174.853 177.584 0.056 0.000 1.062 129 A CA -0.887 51.185 52.037 0.058 0.000 0.767 129 A CB 1.446 20.486 19.000 0.067 0.000 1.288 129 A HN 0.474 nan 8.150 nan 0.000 0.396 130 P HA 0.049 nan 4.420 nan 0.000 0.272 130 P C -0.453 176.880 177.300 0.055 0.000 1.225 130 P CA 0.262 63.383 63.100 0.035 0.000 0.800 130 P CB 0.390 32.101 31.700 0.019 0.000 0.894 131 N N -0.288 118.446 118.700 0.058 0.000 2.430 131 N HA 0.272 5.012 4.740 -0.000 0.000 0.290 131 N C -2.360 173.188 175.510 0.064 0.000 1.063 131 N CA -1.947 51.139 53.050 0.060 0.000 0.883 131 N CB 0.723 39.245 38.487 0.058 0.000 1.465 131 N HN 0.081 nan 8.380 nan 0.000 0.493 132 P HA -0.215 nan 4.420 nan 0.000 0.050 132 P C -0.397 176.936 177.300 0.055 0.000 0.808 132 P CA 0.510 63.645 63.100 0.058 0.000 1.000 132 P CB -0.633 31.094 31.700 0.044 0.000 1.827 133 C N -0.594 118.751 119.300 0.076 0.000 2.365 133 C HA 0.398 4.858 4.460 -0.000 0.000 0.374 133 C C 0.982 176.029 174.990 0.094 0.000 1.318 133 C CA -0.256 58.809 59.018 0.079 0.000 2.239 133 C CB 0.577 28.369 27.740 0.086 0.000 2.144 133 C HN 0.258 nan 8.230 nan 0.000 0.581 134 E N -0.663 119.591 120.200 0.091 0.000 2.293 134 E HA 0.506 4.856 4.350 -0.000 0.000 0.270 134 E C -1.480 175.217 176.600 0.160 0.000 0.879 134 E CA -0.276 56.160 56.400 0.061 0.000 0.756 134 E CB 1.362 31.054 29.700 -0.013 0.000 1.208 134 E HN 0.661 nan 8.360 nan 0.000 0.428 135 W N 2.012 123.297 121.300 -0.024 0.000 2.761 135 W HA 0.616 5.276 4.660 -0.000 0.000 0.340 135 W C -0.223 176.309 176.519 0.021 0.000 1.072 135 W CA -0.787 56.544 57.345 -0.023 0.000 1.215 135 W CB 0.598 30.013 29.460 -0.076 0.000 1.420 135 W HN 0.346 nan 8.180 nan 0.000 0.519 167 H N -0.031 118.887 119.070 -0.254 0.000 2.947 167 H HA 0.496 5.052 4.556 -0.000 0.000 0.273 167 H C -2.186 172.714 175.328 -0.712 0.000 1.283 167 H CA -0.822 55.013 56.048 -0.355 0.000 1.490 167 H CB 0.941 30.544 29.762 -0.265 0.000 1.935 167 H HN 0.225 nan 8.280 nan 0.000 0.501 168 V N 2.894 122.685 119.914 -0.205 0.000 3.077 168 V HA 0.484 4.604 4.120 -0.000 0.000 0.299 168 V C -1.241 174.901 176.094 0.079 0.000 1.276 168 V CA -0.896 61.147 62.300 -0.428 0.000 0.993 168 V CB 1.826 33.485 31.823 -0.273 0.000 1.076 168 V HN 0.451 nan 8.190 nan 0.000 0.434 169 F N 0.853 120.620 119.950 -0.305 0.000 2.575 169 F HA 1.038 5.565 4.527 -0.000 0.000 0.330 169 F C 0.852 176.636 175.800 -0.025 0.000 1.056 169 F CA -0.483 57.488 58.000 -0.047 0.000 0.964 169 F CB 2.155 41.224 39.000 0.116 0.000 1.258 169 F HN 0.932 nan 8.300 nan 0.000 0.484 170 G N -0.012 108.903 108.800 0.191 0.000 2.510 170 G HA2 0.500 4.460 3.960 -0.000 0.000 0.277 170 G HA3 0.500 4.460 3.960 -0.000 0.000 0.277 170 G C -2.029 172.918 174.900 0.078 0.000 1.223 170 G CA -0.511 44.651 45.100 0.103 0.000 0.887 170 G HN 0.683 nan 8.290 nan 0.000 0.485 171 Q N -1.382 118.446 119.800 0.046 0.000 2.737 171 Q HA 0.625 4.965 4.340 -0.000 0.000 0.307 171 Q C -2.185 173.833 176.000 0.029 0.000 0.905 171 Q CA -0.423 55.405 55.803 0.042 0.000 0.753 171 Q CB 1.834 30.606 28.738 0.056 0.000 1.463 171 Q HN 2.109 nan 8.270 nan 0.000 0.455 172 A N 2.166 125.006 122.820 0.034 0.000 2.521 172 A HA 0.491 4.811 4.320 -0.000 0.000 0.298 172 A C -2.833 174.785 177.584 0.057 0.000 1.044 172 A CA -0.735 51.328 52.037 0.043 0.000 0.911 172 A CB 1.179 20.195 19.000 0.026 0.000 1.376 172 A HN 0.434 nan 8.150 nan 0.000 0.392 173 P HA 0.572 nan 4.420 nan 0.000 0.253 173 P C -1.056 176.349 177.300 0.175 0.000 1.667 173 P CA -0.044 63.110 63.100 0.090 0.000 1.118 173 P CB -0.461 31.280 31.700 0.069 0.000 1.595 174 Y N 0.247 120.540 120.300 -0.013 0.000 2.643 174 Y HA 0.276 4.826 4.550 -0.000 0.000 0.347 174 Y C -1.308 174.580 175.900 -0.020 0.000 1.208 174 Y CA -0.709 57.382 58.100 -0.014 0.000 1.245 174 Y CB 0.798 39.252 38.460 -0.009 0.000 1.369 174 Y HN 0.122 nan 8.280 nan 0.000 0.487 175 S N 3.886 119.340 115.700 -0.409 0.000 2.497 175 S HA 0.354 4.824 4.470 -0.000 0.000 0.193 175 S C 0.211 174.346 174.600 -0.774 0.000 1.360 175 S CA 0.155 58.069 58.200 -0.477 0.000 1.204 175 S CB -0.759 62.320 63.200 -0.201 0.000 1.171 175 S HN 1.180 nan 8.310 nan 0.000 0.502 176 G N 2.855 110.838 108.800 -1.362 0.000 2.230 176 G HA2 0.123 4.083 3.960 -0.000 0.000 0.282 176 G HA3 0.123 4.083 3.960 -0.000 0.000 0.282 176 G C 0.838 175.584 174.900 -0.257 0.000 0.999 176 G CA -0.248 44.333 45.100 -0.866 0.000 1.326 176 G HN 0.743 nan 8.290 nan 0.000 0.397 177 I N 0.871 121.374 120.570 -0.112 0.000 2.623 177 I HA -0.066 4.104 4.170 -0.000 0.000 0.261 177 I C 0.969 177.134 176.117 0.080 0.000 1.204 177 I CA 0.225 61.538 61.300 0.022 0.000 1.444 177 I CB -0.886 37.139 38.000 0.040 0.000 1.094 177 I HN 0.544 nan 8.210 nan 0.000 0.451 178 N N 1.530 120.237 118.700 0.012 0.000 2.542 178 N HA 0.179 4.919 4.740 -0.000 0.000 0.288 178 N C -0.392 175.101 175.510 -0.029 0.000 1.115 178 N CA -0.762 52.254 53.050 -0.057 0.000 0.924 178 N CB 0.651 39.120 38.487 -0.031 0.000 1.526 178 N HN 0.262 nan 8.380 nan 0.000 0.515 179 I N 0.053 120.583 120.570 -0.066 0.000 3.648 179 I HA 0.113 4.283 4.170 -0.000 0.000 0.305 179 I C -0.023 176.184 176.117 0.150 0.000 1.345 179 I CA -0.309 60.994 61.300 0.004 0.000 1.325 179 I CB -1.527 36.477 38.000 0.007 0.000 1.188 179 I HN 0.255 nan 8.210 nan 0.000 0.460 180 T N 1.747 116.367 114.554 0.110 0.000 2.779 180 T HA -0.122 4.228 4.350 -0.000 0.000 0.348 180 T C 1.347 176.190 174.700 0.239 0.000 1.090 180 T CA 0.334 62.518 62.100 0.140 0.000 1.111 180 T CB 1.481 70.420 68.868 0.118 0.000 1.026 180 T HN 0.563 nan 8.240 nan 0.000 0.547 181 K N 1.508 121.991 120.400 0.139 0.000 1.974 181 K HA -0.116 4.204 4.320 -0.000 0.000 0.211 181 K C 2.135 178.802 176.600 0.112 0.000 1.039 181 K CA 1.540 57.870 56.287 0.072 0.000 0.947 181 K CB -0.322 32.164 32.500 -0.024 0.000 0.735 181 K HN 0.804 nan 8.250 nan 0.000 0.441 182 E N 0.425 120.694 120.200 0.115 0.000 2.501 182 E HA -0.036 4.314 4.350 -0.000 0.000 0.203 182 E C -0.057 176.635 176.600 0.154 0.000 1.072 182 E CA 0.609 57.105 56.400 0.159 0.000 0.885 182 E CB -0.285 29.558 29.700 0.239 0.000 0.813 182 E HN 0.514 nan 8.360 nan 0.000 0.556 183 G N 0.176 109.056 108.800 0.133 0.000 2.535 183 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.662 183 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.662 183 G C -0.398 174.582 174.900 0.134 0.000 1.417 183 G CA -0.546 44.589 45.100 0.058 0.000 0.866 183 G HN 0.168 nan 8.290 nan 0.000 0.647 184 I N 0.654 121.292 120.570 0.112 0.000 3.366 184 I HA 0.079 4.250 4.170 -0.000 0.000 0.283 184 I C 1.120 177.338 176.117 0.167 0.000 1.290 184 I CA 0.922 62.302 61.300 0.134 0.000 1.353 184 I CB 0.506 38.611 38.000 0.175 0.000 1.343 184 I HN 0.763 nan 8.210 nan 0.000 0.607 185 Q N 3.538 123.426 119.800 0.146 0.000 2.359 185 Q HA 0.530 4.870 4.340 -0.000 0.000 0.275 185 Q C -0.836 175.242 176.000 0.131 0.000 1.082 185 Q CA -0.888 55.001 55.803 0.144 0.000 0.849 185 Q CB 1.781 30.578 28.738 0.099 0.000 1.377 185 Q HN 0.514 nan 8.270 nan 0.000 0.452 186 I N -1.168 119.469 120.570 0.112 0.000 3.474 186 I HA 0.704 4.874 4.170 -0.000 0.000 0.294 186 I C 0.468 176.626 176.117 0.068 0.000 1.185 186 I CA -0.577 60.779 61.300 0.094 0.000 1.003 186 I CB -0.097 37.952 38.000 0.081 0.000 1.327 186 I HN 0.745 nan 8.210 nan 0.000 0.541 187 G N 0.892 109.727 108.800 0.057 0.000 2.468 187 G HA2 0.523 4.483 3.960 -0.000 0.000 0.264 187 G HA3 0.523 4.483 3.960 -0.000 0.000 0.264 187 G C -0.298 174.620 174.900 0.031 0.000 1.460 187 G CA 0.450 45.575 45.100 0.042 0.000 1.060 187 G HN 1.028 nan 8.290 nan 0.000 0.543 188 V N -3.516 116.412 119.914 0.023 0.000 3.188 188 V HA 0.555 4.675 4.120 -0.000 0.000 0.305 188 V C 0.799 176.901 176.094 0.013 0.000 1.232 188 V CA -0.170 62.140 62.300 0.016 0.000 1.043 188 V CB 1.575 33.405 31.823 0.012 0.000 1.068 188 V HN 0.894 nan 8.190 nan 0.000 0.439 189 E N 1.658 121.864 120.200 0.009 0.000 2.028 189 E HA 0.165 4.515 4.350 -0.000 0.000 0.190 189 E C 1.343 177.947 176.600 0.007 0.000 0.984 189 E CA 2.330 58.735 56.400 0.008 0.000 0.800 189 E CB 0.000 29.704 29.700 0.006 0.000 0.758 189 E HN 1.275 nan 8.360 nan 0.000 0.448 190 G N -1.350 107.454 108.800 0.005 0.000 4.554 190 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.210 190 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.210 190 G C 0.729 175.630 174.900 0.003 0.000 0.674 190 G CA 0.275 45.378 45.100 0.005 0.000 0.801 190 G HN 0.185 nan 8.290 nan 0.000 0.555 191 Q N 0.023 119.824 119.800 0.001 0.000 2.123 191 Q HA 0.281 4.621 4.340 -0.000 0.000 0.244 191 Q C -0.285 175.712 176.000 -0.004 0.000 0.769 191 Q CA 0.756 56.558 55.803 -0.002 0.000 0.938 191 Q CB 1.884 30.621 28.738 -0.003 0.000 1.170 191 Q HN 0.274 nan 8.270 nan 0.000 0.469 192 T N 1.323 115.875 114.554 -0.005 0.000 3.109 192 T HA 0.539 4.889 4.350 -0.000 0.000 0.311 192 T C -2.883 171.811 174.700 -0.010 0.000 1.011 192 T CA -1.310 60.784 62.100 -0.011 0.000 1.026 192 T CB 2.310 71.168 68.868 -0.016 0.000 1.047 192 T HN -0.158 nan 8.240 nan 0.000 0.448 193 P HA 0.760 nan 4.420 nan 0.000 0.287 193 P C -0.375 176.904 177.300 -0.034 0.000 1.292 193 P CA -0.756 62.339 63.100 -0.008 0.000 0.879 193 P CB 2.262 33.964 31.700 0.004 0.000 1.214 194 K N -0.632 119.756 120.400 -0.020 0.000 3.157 194 K HA 0.323 4.643 4.320 -0.000 0.000 0.309 194 K C -0.285 176.338 176.600 0.039 0.000 1.183 194 K CA 0.019 56.252 56.287 -0.091 0.000 1.198 194 K CB 0.160 32.592 32.500 -0.113 0.000 3.317 194 K HN 0.573 nan 8.250 nan 0.000 1.071 195 Y N -1.702 118.611 120.300 0.021 0.000 2.338 195 Y HA 0.724 5.274 4.550 -0.000 0.000 0.235 195 Y C -0.279 175.642 175.900 0.035 0.000 1.814 195 Y CA -0.770 57.351 58.100 0.035 0.000 1.013 195 Y CB -0.570 37.913 38.460 0.039 0.000 3.775 195 Y HN 0.278 nan 8.280 nan 0.000 0.265 196 A N 0.849 123.668 122.820 -0.002 0.000 3.388 196 A HA 0.688 5.008 4.320 -0.000 0.000 0.200 196 A C -0.964 176.449 177.584 -0.285 0.000 1.866 196 A CA 1.142 53.101 52.037 -0.130 0.000 1.898 196 A CB -0.210 18.729 19.000 -0.101 0.000 1.383 196 A HN 0.756 nan 8.150 nan 0.000 0.410 197 D N -4.256 115.916 120.400 -0.380 0.000 2.807 197 D HA 0.253 4.893 4.640 -0.000 0.000 0.279 197 D C 0.064 176.170 176.300 -0.323 0.000 1.247 197 D CA -0.541 53.246 54.000 -0.355 0.000 0.749 197 D CB 0.742 41.356 40.800 -0.310 0.000 1.264 197 D HN 0.058 nan 8.370 nan 0.000 0.421 198 K N -0.293 119.944 120.400 -0.272 0.000 2.057 198 K HA 0.095 4.415 4.320 -0.000 0.000 0.209 198 K C 1.335 177.746 176.600 -0.315 0.000 1.028 198 K CA 1.384 57.542 56.287 -0.214 0.000 0.950 198 K CB -0.751 31.684 32.500 -0.109 0.000 0.784 198 K HN 0.730 nan 8.250 nan 0.000 0.448 199 T N 1.818 116.192 114.554 -0.301 0.000 6.165 199 T HA -0.201 4.149 4.350 -0.000 0.000 0.276 199 T C 1.776 176.296 174.700 -0.299 0.000 0.900 199 T CA 1.576 63.512 62.100 -0.272 0.000 1.061 199 T CB -1.036 67.676 68.868 -0.260 0.000 0.814 199 T HN 0.335 nan 8.240 nan 0.000 0.255 200 F N 0.679 120.537 119.950 -0.154 0.000 2.802 200 F HA 0.436 4.963 4.527 0.000 0.000 0.300 200 F C 0.927 176.617 175.800 -0.183 0.000 1.168 200 F CA -0.979 56.927 58.000 -0.157 0.000 1.433 200 F CB -0.874 38.060 39.000 -0.109 0.000 1.115 200 F HN 0.059 nan 8.300 nan 0.000 0.582 201 Q N 2.991 122.537 119.800 -0.423 0.000 2.332 201 Q HA 0.312 4.652 4.340 -0.000 0.000 0.263 201 Q C -2.029 173.799 176.000 -0.287 0.000 0.979 201 Q CA -1.836 53.794 55.803 -0.289 0.000 0.885 201 Q CB 0.843 29.375 28.738 -0.345 0.000 1.218 201 Q HN 0.118 nan 8.270 nan 0.000 0.405 202 P HA 0.317 nan 4.420 nan 0.000 0.336 202 P C -1.045 176.236 177.300 -0.032 0.000 1.288 202 P CA -0.502 62.533 63.100 -0.107 0.000 0.766 202 P CB 0.866 32.473 31.700 -0.155 0.000 1.461 203 E N -0.131 120.049 120.200 -0.034 0.000 2.256 203 E HA 0.226 4.576 4.350 -0.000 0.000 0.243 203 E C -1.825 174.750 176.600 -0.041 0.000 0.925 203 E CA -1.646 54.744 56.400 -0.018 0.000 0.748 203 E CB 0.760 30.457 29.700 -0.004 0.000 1.206 203 E HN 0.199 nan 8.360 nan 0.000 0.428 204 P HA -0.271 nan 4.420 nan 0.000 0.216 204 P C 0.491 177.782 177.300 -0.015 0.000 1.151 204 P CA 1.498 64.583 63.100 -0.025 0.000 0.953 204 P CB 0.141 31.832 31.700 -0.016 0.000 0.789 205 Q N -0.162 119.629 119.800 -0.014 0.000 2.588 205 Q HA -0.024 4.316 4.340 -0.000 0.000 0.199 205 Q C 0.019 176.018 176.000 -0.001 0.000 0.902 205 Q CA 0.720 56.520 55.803 -0.006 0.000 1.067 205 Q CB -1.593 27.137 28.738 -0.013 0.000 1.062 205 Q HN 0.457 nan 8.270 nan 0.000 0.590 206 I N -2.521 118.049 120.570 -0.001 0.000 2.563 206 I HA 0.621 4.791 4.170 -0.000 0.000 0.285 206 I C -0.252 175.878 176.117 0.021 0.000 1.123 206 I CA -1.147 60.156 61.300 0.006 0.000 1.059 206 I CB 2.005 40.001 38.000 -0.007 0.000 1.229 206 I HN -0.053 nan 8.210 nan 0.000 0.442 207 G N 3.161 111.984 108.800 0.038 0.000 2.732 207 G HA2 0.581 4.541 3.960 -0.000 0.000 0.295 207 G HA3 0.581 4.541 3.960 -0.000 0.000 0.295 207 G C -0.831 174.094 174.900 0.042 0.000 1.456 207 G CA -0.551 44.583 45.100 0.058 0.000 1.050 207 G HN 0.592 nan 8.290 nan 0.000 0.525 208 E N 0.626 120.850 120.200 0.040 0.000 3.699 208 E HA -0.110 4.240 4.350 -0.000 0.000 0.324 208 E C 0.514 177.107 176.600 -0.011 0.000 0.801 208 E CA 0.908 57.312 56.400 0.006 0.000 1.045 208 E CB 0.154 29.840 29.700 -0.023 0.000 1.006 208 E HN 0.362 nan 8.360 nan 0.000 0.519 209 S N 4.306 119.993 115.700 -0.021 0.000 2.455 209 S HA 0.307 4.777 4.470 -0.000 0.000 0.278 209 S C -0.026 174.521 174.600 -0.088 0.000 1.216 209 S CA -0.474 57.710 58.200 -0.026 0.000 1.055 209 S CB 0.353 63.544 63.200 -0.016 0.000 0.939 209 S HN 0.480 nan 8.310 nan 0.000 0.494 210 Q N 3.054 122.791 119.800 -0.105 0.000 3.012 210 Q HA 0.052 4.392 4.340 -0.000 0.000 0.285 210 Q C -2.356 173.618 176.000 -0.043 0.000 0.922 210 Q CA -0.814 54.861 55.803 -0.214 0.000 0.813 210 Q CB 0.145 28.733 28.738 -0.251 0.000 1.779 210 Q HN 0.876 nan 8.270 nan 0.000 0.500 211 W N 2.283 123.827 121.300 0.406 0.000 1.375 211 W HA 0.615 5.275 4.660 -0.000 0.000 0.310 211 W C -1.434 175.342 176.519 0.428 0.000 0.887 211 W CA -0.835 56.683 57.345 0.288 0.000 1.672 211 W CB -0.128 29.429 29.460 0.162 0.000 1.824 211 W HN 0.653 nan 8.180 nan 0.000 0.448 212 Y N -2.005 118.410 120.300 0.192 0.000 2.583 212 Y HA 0.365 4.915 4.550 -0.000 0.000 0.330 212 Y C -0.811 175.120 175.900 0.052 0.000 1.185 212 Y CA -1.399 56.787 58.100 0.143 0.000 1.107 212 Y CB 0.801 39.331 38.460 0.117 0.000 1.344 212 Y HN -0.043 nan 8.280 nan 0.000 0.463 213 E N 2.765 122.998 120.200 0.055 0.000 2.044 213 E HA 0.189 4.539 4.350 -0.000 0.000 0.282 213 E C -0.832 175.702 176.600 -0.109 0.000 1.031 213 E CA -0.434 55.925 56.400 -0.067 0.000 0.824 213 E CB 1.608 31.306 29.700 -0.004 0.000 1.076 213 E HN 0.624 nan 8.360 nan 0.000 0.395 214 T N 3.090 117.498 114.554 -0.243 0.000 2.855 214 T HA 0.053 4.403 4.350 -0.000 0.000 0.290 214 T C 0.268 174.895 174.700 -0.121 0.000 0.941 214 T CA -0.663 61.321 62.100 -0.193 0.000 1.030 214 T CB -0.395 68.293 68.868 -0.301 0.000 0.935 214 T HN 0.410 nan 8.240 nan 0.000 0.564 215 E N 1.730 121.888 120.200 -0.071 0.000 0.993 215 E HA -0.257 4.093 4.350 -0.000 0.000 0.180 215 E C 0.141 176.686 176.600 -0.091 0.000 0.713 215 E CA -0.052 56.310 56.400 -0.063 0.000 0.414 215 E CB -1.374 28.297 29.700 -0.049 0.000 1.047 215 E HN 0.793 nan 8.360 nan 0.000 0.238 216 I N 1.267 121.780 120.570 -0.096 0.000 2.880 216 I HA -0.131 4.039 4.170 -0.000 0.000 0.296 216 I C 0.525 176.560 176.117 -0.137 0.000 1.220 216 I CA 0.745 61.977 61.300 -0.114 0.000 1.435 216 I CB 0.342 38.285 38.000 -0.094 0.000 1.339 216 I HN 0.523 nan 8.210 nan 0.000 0.583 217 N N 3.210 121.801 118.700 -0.181 0.000 2.636 217 N HA 0.342 5.082 4.740 -0.000 0.000 0.268 217 N C -0.932 174.424 175.510 -0.257 0.000 1.372 217 N CA -0.893 51.978 53.050 -0.298 0.000 0.852 217 N CB 0.203 38.446 38.487 -0.407 0.000 1.335 217 N HN 0.648 nan 8.380 nan 0.000 0.386 218 H N -0.352 118.667 119.070 -0.085 0.000 2.607 218 H HA 0.613 5.169 4.556 -0.000 0.000 0.367 218 H C -0.323 174.898 175.328 -0.178 0.000 1.181 218 H CA -0.123 55.865 56.048 -0.099 0.000 1.402 218 H CB 1.062 30.782 29.762 -0.071 0.000 1.474 218 H HN 0.546 nan 8.280 nan 0.000 0.596 219 A N 0.313 123.079 122.820 -0.090 0.000 2.645 219 A HA 0.738 5.058 4.320 -0.000 0.000 0.291 219 A C -1.603 175.839 177.584 -0.236 0.000 1.030 219 A CA -0.172 51.692 52.037 -0.288 0.000 0.566 219 A CB 0.070 18.898 19.000 -0.287 0.000 1.527 219 A HN 1.330 nan 8.150 nan 0.000 0.684 220 A N -2.570 120.129 122.820 -0.203 0.000 2.437 220 A HA 0.844 5.164 4.320 -0.000 0.000 0.296 220 A C -0.021 177.675 177.584 0.186 0.000 0.974 220 A CA 0.578 52.608 52.037 -0.011 0.000 0.592 220 A CB -0.350 18.640 19.000 -0.018 0.000 1.405 220 A HN 2.767 nan 8.150 nan 0.000 0.478 221 G N -0.573 108.291 108.800 0.106 0.000 2.846 221 G HA2 0.698 4.658 3.960 -0.000 0.000 0.299 221 G HA3 0.698 4.658 3.960 -0.000 0.000 0.299 221 G C -1.196 173.747 174.900 0.072 0.000 1.242 221 G CA -0.398 44.768 45.100 0.110 0.000 0.800 221 G HN 0.721 nan 8.290 nan 0.000 0.538 222 R N -1.183 119.352 120.500 0.059 0.000 2.888 222 R HA 0.785 5.125 4.340 -0.000 0.000 0.266 222 R C -1.775 174.551 176.300 0.042 0.000 1.020 222 R CA -0.586 55.555 56.100 0.068 0.000 0.963 222 R CB 2.316 32.663 30.300 0.078 0.000 1.197 222 R HN 0.441 nan 8.270 nan 0.000 0.481 223 V N 3.299 123.242 119.914 0.048 0.000 3.049 223 V HA 0.521 4.641 4.120 -0.000 0.000 0.309 223 V C -0.956 175.165 176.094 0.045 0.000 1.148 223 V CA -0.836 61.482 62.300 0.030 0.000 0.990 223 V CB 2.557 34.376 31.823 -0.007 0.000 1.039 223 V HN 0.697 nan 8.190 nan 0.000 0.430 224 L N 2.355 123.600 121.223 0.038 0.000 2.319 224 L HA 0.758 5.098 4.340 -0.000 0.000 0.267 224 L C -0.357 176.534 176.870 0.036 0.000 1.011 224 L CA -0.807 54.057 54.840 0.040 0.000 0.818 224 L CB 1.958 44.039 42.059 0.036 0.000 1.316 224 L HN 0.543 nan 8.230 nan 0.000 0.432 225 K N 0.846 121.269 120.400 0.037 0.000 2.138 225 K HA 0.184 4.504 4.320 -0.000 0.000 0.251 225 K C 0.059 176.681 176.600 0.037 0.000 1.015 225 K CA -0.018 56.289 56.287 0.034 0.000 0.917 225 K CB 0.732 33.252 32.500 0.034 0.000 1.021 225 K HN 0.683 nan 8.250 nan 0.000 0.485 226 K N -0.289 120.133 120.400 0.037 0.000 2.440 226 K HA 0.114 4.434 4.320 -0.000 0.000 0.206 226 K C 0.564 177.187 176.600 0.038 0.000 1.025 226 K CA -0.097 56.215 56.287 0.043 0.000 1.135 226 K CB 0.447 32.979 32.500 0.053 0.000 0.856 226 K HN 0.337 nan 8.250 nan 0.000 0.502 227 T N 1.328 115.902 114.554 0.033 0.000 2.668 227 T HA -0.231 4.119 4.350 -0.000 0.000 0.265 227 T C 1.024 175.742 174.700 0.030 0.000 1.041 227 T CA 2.195 64.313 62.100 0.030 0.000 1.160 227 T CB -0.481 68.404 68.868 0.028 0.000 0.857 227 T HN 0.727 nan 8.240 nan 0.000 0.455 228 T N -0.926 113.647 114.554 0.031 0.000 2.797 228 T HA 0.520 4.870 4.350 -0.000 0.000 0.279 228 T C -2.462 172.257 174.700 0.033 0.000 0.991 228 T CA -2.188 59.929 62.100 0.030 0.000 0.979 228 T CB 2.095 70.980 68.868 0.029 0.000 0.943 228 T HN -0.137 nan 8.240 nan 0.000 0.444 229 P HA -0.230 nan 4.420 nan 0.000 0.291 229 P C 0.024 177.347 177.300 0.040 0.000 1.864 229 P CA 1.130 64.249 63.100 0.031 0.000 1.676 229 P CB 0.048 31.757 31.700 0.016 0.000 0.342 230 M N -3.162 116.455 119.600 0.028 0.000 2.067 230 M HA 0.347 4.827 4.480 -0.000 0.000 0.214 230 M C -0.816 175.491 176.300 0.012 0.000 0.891 230 M CA -0.588 54.732 55.300 0.034 0.000 0.697 230 M CB 1.376 34.005 32.600 0.047 0.000 1.616 230 M HN -0.191 nan 8.290 nan 0.000 0.354 231 K N 0.875 121.288 120.400 0.022 0.000 2.213 231 K HA 0.658 4.978 4.320 -0.000 0.000 0.270 231 K C -2.635 173.987 176.600 0.035 0.000 1.002 231 K CA -1.659 54.639 56.287 0.019 0.000 0.868 231 K CB 1.068 33.581 32.500 0.023 0.000 1.093 231 K HN 0.138 nan 8.250 nan 0.000 0.454 232 P HA -0.121 nan 4.420 nan 0.000 0.283 232 P C 0.476 177.825 177.300 0.081 0.000 1.388 232 P CA 0.029 63.162 63.100 0.054 0.000 0.977 232 P CB 0.387 32.117 31.700 0.050 0.000 1.287 233 C N -4.607 114.760 119.300 0.111 0.000 2.792 233 C HA 0.360 4.820 4.460 -0.000 0.000 0.086 233 C C 0.695 175.815 174.990 0.218 0.000 2.339 233 C CA -0.561 58.537 59.018 0.133 0.000 1.394 233 C CB -1.353 26.450 27.740 0.104 0.000 2.306 233 C HN 0.559 nan 8.230 nan 0.000 0.400 234 Y N 2.265 122.610 120.300 0.075 0.000 2.983 234 Y HA 0.022 4.572 4.550 -0.000 0.000 0.185 234 Y C 1.062 177.029 175.900 0.111 0.000 1.476 234 Y CA 1.268 59.422 58.100 0.089 0.000 0.866 234 Y CB -0.867 37.631 38.460 0.065 0.000 1.331 234 Y HN 1.274 nan 8.280 nan 0.000 0.403 235 G N -0.097 108.843 108.800 0.234 0.000 3.033 235 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.196 235 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.196 235 G C 0.121 175.188 174.900 0.278 0.000 1.078 235 G CA -0.198 45.063 45.100 0.267 0.000 0.805 235 G HN 1.782 nan 8.290 nan 0.000 0.472 236 S N -0.080 115.743 115.700 0.204 0.000 4.466 236 S HA -0.010 4.460 4.470 -0.000 0.000 0.529 236 S C -0.311 174.428 174.600 0.233 0.000 1.031 236 S CA 1.129 59.434 58.200 0.174 0.000 0.906 236 S CB -0.079 63.187 63.200 0.110 0.000 1.279 236 S HN 1.556 nan 8.310 nan 0.000 0.417 237 Y N 1.720 122.069 120.300 0.081 0.000 2.570 237 Y HA 0.678 5.228 4.550 -0.000 0.000 0.345 237 Y C -0.051 175.878 175.900 0.050 0.000 1.014 237 Y CA -0.194 57.956 58.100 0.083 0.000 1.063 237 Y CB 2.407 40.920 38.460 0.087 0.000 1.272 237 Y HN 1.316 nan 8.280 nan 0.000 0.477 238 A N 4.027 126.563 122.820 -0.474 0.000 2.534 238 A HA 0.432 4.752 4.320 -0.000 0.000 0.300 238 A C -1.390 176.027 177.584 -0.278 0.000 1.054 238 A CA -0.972 50.941 52.037 -0.206 0.000 0.858 238 A CB 0.690 19.599 19.000 -0.150 0.000 1.333 238 A HN 0.754 nan 8.150 nan 0.000 0.391 239 K N 3.330 123.706 120.400 -0.040 0.000 2.494 239 K HA 0.270 4.590 4.320 -0.000 0.000 0.273 239 K C -2.177 174.396 176.600 -0.044 0.000 0.970 239 K CA -0.367 55.930 56.287 0.015 0.000 0.963 239 K CB 0.498 33.035 32.500 0.061 0.000 0.913 239 K HN 0.292 nan 8.250 nan 0.000 0.502 240 P HA 0.050 nan 4.420 nan 0.000 0.205 240 P C 0.001 177.274 177.300 -0.045 0.000 1.858 240 P CA -0.482 62.584 63.100 -0.057 0.000 0.998 240 P CB 0.565 32.237 31.700 -0.047 0.000 1.875 241 T N 0.175 114.710 114.554 -0.032 0.000 2.504 241 T HA -0.155 4.195 4.350 -0.000 0.000 0.243 241 T C 0.855 175.539 174.700 -0.028 0.000 1.206 241 T CA 0.358 62.449 62.100 -0.015 0.000 1.356 241 T CB -1.908 66.965 68.868 0.007 0.000 0.910 241 T HN 0.310 nan 8.240 nan 0.000 0.393 242 N N 2.166 120.860 118.700 -0.009 0.000 2.086 242 N HA -0.080 4.660 4.740 -0.000 0.000 0.262 242 N C 0.816 176.275 175.510 -0.085 0.000 1.220 242 N CA 0.348 53.398 53.050 0.000 0.000 0.835 242 N CB 0.367 38.916 38.487 0.103 0.000 1.070 242 N HN 0.610 nan 8.380 nan 0.000 0.467 243 E N 1.418 121.590 120.200 -0.046 0.000 2.000 243 E HA -0.256 4.094 4.350 -0.000 0.000 0.199 243 E C -0.129 176.366 176.600 -0.176 0.000 1.011 243 E CA 1.432 57.788 56.400 -0.073 0.000 0.836 243 E CB -0.173 29.515 29.700 -0.018 0.000 0.778 243 E HN 0.626 nan 8.360 nan 0.000 0.462 244 N N 0.784 119.329 118.700 -0.258 0.000 3.059 244 N HA 0.166 4.906 4.740 -0.000 0.000 0.321 244 N C -0.888 174.238 175.510 -0.640 0.000 1.224 244 N CA 0.401 53.217 53.050 -0.390 0.000 1.197 244 N CB -0.119 38.187 38.487 -0.302 0.000 1.453 244 N HN 0.413 nan 8.380 nan 0.000 0.544 245 G N 0.168 108.726 108.800 -0.403 0.000 2.704 245 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.338 245 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.338 245 G C 0.476 175.109 174.900 -0.445 0.000 0.073 245 G CA 0.143 45.036 45.100 -0.346 0.000 1.219 245 G HN 0.618 nan 8.290 nan 0.000 0.578 246 G N 1.280 109.896 108.800 -0.308 0.000 2.827 246 G HA2 0.768 4.728 3.960 -0.000 0.000 0.202 246 G HA3 0.768 4.728 3.960 -0.000 0.000 0.202 246 G C 0.233 175.069 174.900 -0.108 0.000 1.185 246 G CA 0.741 45.725 45.100 -0.193 0.000 0.920 246 G HN 1.063 nan 8.290 nan 0.000 0.550 247 Q N -1.614 118.159 119.800 -0.046 0.000 2.329 247 Q HA 0.216 4.556 4.340 -0.000 0.000 0.194 247 Q C 1.230 177.219 176.000 -0.018 0.000 0.721 247 Q CA 0.006 55.778 55.803 -0.053 0.000 0.890 247 Q CB 0.663 29.348 28.738 -0.089 0.000 1.280 247 Q HN 0.884 nan 8.270 nan 0.000 0.431 248 G N 2.785 111.584 108.800 -0.002 0.000 2.562 248 G HA2 0.334 4.294 3.960 -0.000 0.000 0.233 248 G HA3 0.334 4.294 3.960 -0.000 0.000 0.233 248 G C 0.155 175.062 174.900 0.012 0.000 1.266 248 G CA -0.015 45.085 45.100 0.001 0.000 0.852 248 G HN 0.249 nan 8.290 nan 0.000 0.581 249 I N -1.340 119.237 120.570 0.012 0.000 2.793 249 I HA 0.642 4.812 4.170 -0.000 0.000 0.313 249 I C -0.545 175.582 176.117 0.015 0.000 0.998 249 I CA -1.451 59.858 61.300 0.016 0.000 1.140 249 I CB 1.577 39.587 38.000 0.018 0.000 1.327 249 I HN 0.187 nan 8.210 nan 0.000 0.491 250 L N 4.007 125.241 121.223 0.017 0.000 2.282 250 L HA 0.549 4.889 4.340 -0.000 0.000 0.288 250 L C -0.171 176.709 176.870 0.017 0.000 1.033 250 L CA -0.875 53.974 54.840 0.016 0.000 0.807 250 L CB 0.922 42.992 42.059 0.018 0.000 1.209 250 L HN 0.474 nan 8.230 nan 0.000 0.423 251 V N 0.781 120.705 119.914 0.017 0.000 2.370 251 V HA 0.252 4.372 4.120 -0.000 0.000 0.257 251 V C 0.761 176.865 176.094 0.016 0.000 1.064 251 V CA -0.896 61.414 62.300 0.017 0.000 0.975 251 V CB -0.409 31.425 31.823 0.019 0.000 1.067 251 V HN 0.762 nan 8.190 nan 0.000 0.485 252 K N 3.693 124.102 120.400 0.015 0.000 2.561 252 K HA 0.018 4.338 4.320 -0.000 0.000 0.280 252 K C 0.368 176.976 176.600 0.014 0.000 0.975 252 K CA 0.770 57.065 56.287 0.014 0.000 1.024 252 K CB 0.454 32.962 32.500 0.014 0.000 0.883 252 K HN 0.944 nan 8.250 nan 0.000 0.496 253 Q N 1.132 120.940 119.800 0.013 0.000 2.170 253 Q HA -0.033 4.307 4.340 -0.000 0.000 0.349 253 Q C -0.581 175.426 176.000 0.011 0.000 0.646 253 Q CA -0.477 55.333 55.803 0.012 0.000 0.737 253 Q CB 0.365 29.111 28.738 0.013 0.000 2.057 253 Q HN 0.737 nan 8.270 nan 0.000 0.201 254 Q N 1.209 121.015 119.800 0.011 0.000 3.330 254 Q HA -0.008 4.332 4.340 -0.000 0.000 0.207 254 Q C -0.271 175.735 176.000 0.010 0.000 1.200 254 Q CA 0.719 56.528 55.803 0.010 0.000 1.228 254 Q CB -0.185 28.559 28.738 0.010 0.000 1.417 254 Q HN 0.232 nan 8.270 nan 0.000 0.685 255 N N -0.148 118.557 118.700 0.009 0.000 3.324 255 N HA 0.354 5.094 4.740 -0.000 0.000 0.302 255 N C -0.620 174.896 175.510 0.009 0.000 1.360 255 N CA 0.573 53.629 53.050 0.009 0.000 1.190 255 N CB 0.478 38.969 38.487 0.008 0.000 1.462 255 N HN 0.665 nan 8.380 nan 0.000 0.532 256 G N -0.431 108.375 108.800 0.010 0.000 3.183 256 G HA2 0.200 4.160 3.960 -0.000 0.000 0.140 256 G HA3 0.200 4.160 3.960 -0.000 0.000 0.140 256 G C -1.337 173.570 174.900 0.012 0.000 1.209 256 G CA -0.162 44.944 45.100 0.010 0.000 1.438 256 G HN 0.070 nan 8.290 nan 0.000 0.700 257 K N 0.100 120.507 120.400 0.012 0.000 2.606 257 K HA 0.540 4.860 4.320 -0.000 0.000 0.259 257 K C -1.910 174.699 176.600 0.014 0.000 1.001 257 K CA -0.334 55.961 56.287 0.014 0.000 0.881 257 K CB 1.217 33.726 32.500 0.014 0.000 1.288 257 K HN 0.466 nan 8.250 nan 0.000 0.452 258 L N 2.765 123.996 121.223 0.014 0.000 2.295 258 L HA 0.435 4.775 4.340 -0.000 0.000 0.285 258 L C 0.420 177.298 176.870 0.014 0.000 1.035 258 L CA 0.079 54.927 54.840 0.014 0.000 0.806 258 L CB 1.037 43.105 42.059 0.015 0.000 1.214 258 L HN 0.615 nan 8.230 nan 0.000 0.426 259 E N 2.308 122.514 120.200 0.011 0.000 2.496 259 E HA 0.308 4.658 4.350 -0.000 0.000 0.200 259 E C -0.880 175.719 176.600 -0.002 0.000 1.016 259 E CA -0.077 56.327 56.400 0.006 0.000 0.962 259 E CB 0.580 30.281 29.700 0.001 0.000 1.071 259 E HN 0.480 nan 8.360 nan 0.000 0.457 260 S N 0.292 115.996 115.700 0.006 0.000 2.912 260 S HA -0.047 4.423 4.470 -0.000 0.000 0.292 260 S C 0.156 174.770 174.600 0.022 0.000 0.454 260 S CA -0.465 57.741 58.200 0.009 0.000 0.558 260 S CB 0.160 63.355 63.200 -0.008 0.000 0.802 260 S HN 0.195 nan 8.310 nan 0.000 0.669 261 Q N 1.161 120.977 119.800 0.026 0.000 2.250 261 Q HA 0.075 4.415 4.340 -0.000 0.000 0.200 261 Q C 0.746 176.770 176.000 0.040 0.000 0.941 261 Q CA 0.696 56.517 55.803 0.029 0.000 0.872 261 Q CB 0.152 28.904 28.738 0.024 0.000 0.965 261 Q HN 0.740 nan 8.270 nan 0.000 0.480 262 V N 2.983 122.925 119.914 0.046 0.000 3.031 262 V HA -0.259 3.861 4.120 -0.000 0.000 0.242 262 V C 0.687 176.832 176.094 0.085 0.000 1.851 262 V CA 0.962 63.302 62.300 0.068 0.000 1.678 262 V CB -0.137 31.736 31.823 0.084 0.000 0.915 262 V HN 0.301 nan 8.190 nan 0.000 0.523 263 E N 1.826 122.071 120.200 0.074 0.000 2.849 263 E HA 0.702 5.052 4.350 -0.000 0.000 0.257 263 E C 0.026 176.622 176.600 -0.007 0.000 1.306 263 E CA -0.509 55.913 56.400 0.037 0.000 1.058 263 E CB 0.561 30.270 29.700 0.015 0.000 1.249 263 E HN 0.643 nan 8.360 nan 0.000 0.638 264 M N -0.331 119.209 119.600 -0.100 0.000 2.569 264 M HA 0.301 4.781 4.480 -0.000 0.000 0.279 264 M C -1.457 174.771 176.300 -0.120 0.000 1.253 264 M CA -0.512 54.617 55.300 -0.285 0.000 0.867 264 M CB 2.054 34.485 32.600 -0.283 0.000 1.727 264 M HN 0.379 nan 8.290 nan 0.000 0.467 265 Q N 0.487 120.213 119.800 -0.124 0.000 2.633 265 Q HA 0.812 5.152 4.340 -0.000 0.000 0.292 265 Q C -1.671 174.418 176.000 0.149 0.000 1.089 265 Q CA -0.354 55.448 55.803 -0.002 0.000 0.811 265 Q CB 2.857 31.539 28.738 -0.093 0.000 1.472 265 Q HN 0.591 nan 8.270 nan 0.000 0.464 266 F N -1.287 118.630 119.950 -0.054 0.000 3.732 266 F HA 0.650 5.177 4.527 -0.000 0.000 0.330 266 F C -1.524 174.402 175.800 0.211 0.000 1.111 266 F CA -0.352 57.670 58.000 0.037 0.000 0.854 266 F CB 1.234 40.263 39.000 0.049 0.000 1.653 266 F HN 0.515 nan 8.300 nan 0.000 0.508 267 F N -0.401 119.703 119.950 0.257 0.000 3.520 267 F HA 0.424 4.951 4.527 0.000 0.000 0.315 267 F C -1.464 174.403 175.800 0.111 0.000 0.951 267 F CA -0.406 57.663 58.000 0.116 0.000 0.808 267 F CB 0.462 39.480 39.000 0.030 0.000 2.117 267 F HN 0.609 nan 8.300 nan 0.000 0.407 268 S N -1.197 114.511 115.700 0.013 0.000 2.756 268 S HA 0.311 4.781 4.470 -0.000 0.000 0.295 268 S C -0.500 174.020 174.600 -0.134 0.000 0.945 268 S CA -0.244 57.943 58.200 -0.022 0.000 0.838 268 S CB 1.112 64.320 63.200 0.012 0.000 1.042 268 S HN 0.671 nan 8.310 nan 0.000 0.467 269 T N 2.430 116.941 114.554 -0.072 0.000 2.668 269 T HA 0.209 4.559 4.350 -0.000 0.000 0.262 269 T C 0.667 175.311 174.700 -0.093 0.000 1.045 269 T CA 2.039 64.087 62.100 -0.086 0.000 1.152 269 T CB -0.347 68.494 68.868 -0.044 0.000 0.864 269 T HN 0.999 nan 8.240 nan 0.000 0.419 280 L N 0.178 121.393 121.223 -0.013 0.000 2.861 280 L HA 0.683 5.023 4.340 -0.000 0.000 0.290 280 L C -1.521 175.348 176.870 -0.001 0.000 1.346 280 L CA 0.298 55.131 54.840 -0.011 0.000 0.779 280 L CB 0.354 42.407 42.059 -0.011 0.000 1.143 280 L HN 0.733 nan 8.230 nan 0.000 0.548 281 T N -0.030 114.528 114.554 0.006 0.000 3.289 281 T HA 0.392 4.742 4.350 -0.000 0.000 0.370 281 T C -2.883 171.844 174.700 0.045 0.000 1.546 281 T CA -0.551 61.565 62.100 0.027 0.000 1.144 281 T CB 2.145 71.035 68.868 0.037 0.000 1.379 281 T HN -0.013 nan 8.240 nan 0.000 0.478 282 P HA 0.730 nan 4.420 nan 0.000 0.301 282 P C -1.568 175.827 177.300 0.158 0.000 1.309 282 P CA -0.756 62.425 63.100 0.135 0.000 0.782 282 P CB 0.778 32.593 31.700 0.192 0.000 1.282 283 K N -1.115 119.392 120.400 0.178 0.000 2.265 283 K HA 0.492 4.812 4.320 -0.000 0.000 0.320 283 K C -1.617 174.988 176.600 0.009 0.000 1.661 283 K CA -0.487 55.863 56.287 0.105 0.000 0.952 283 K CB -0.643 31.910 32.500 0.088 0.000 1.415 283 K HN 0.275 nan 8.250 nan 0.000 0.449 284 V N 0.310 120.118 119.914 -0.175 0.000 2.901 284 V HA 0.377 4.497 4.120 -0.000 0.000 0.260 284 V C -1.926 173.598 176.094 -0.949 0.000 1.836 284 V CA -0.676 61.406 62.300 -0.364 0.000 0.909 284 V CB 1.977 33.701 31.823 -0.166 0.000 1.378 284 V HN 0.762 nan 8.190 nan 0.000 0.442 285 V N 4.394 123.926 119.914 -0.637 0.000 2.775 285 V HA 0.871 4.991 4.120 -0.000 0.000 0.295 285 V C -1.937 173.982 176.094 -0.293 0.000 1.226 285 V CA -0.048 61.876 62.300 -0.628 0.000 0.934 285 V CB 1.563 33.138 31.823 -0.413 0.000 1.056 285 V HN 0.836 nan 8.190 nan 0.000 0.436 286 L N 5.318 126.366 121.223 -0.292 0.000 2.205 286 L HA 0.839 5.179 4.340 -0.000 0.000 0.242 286 L C -1.062 175.609 176.870 -0.332 0.000 1.115 286 L CA -0.634 54.097 54.840 -0.182 0.000 0.987 286 L CB 2.423 44.402 42.059 -0.134 0.000 1.568 286 L HN 0.786 nan 8.230 nan 0.000 0.450 287 Y N -1.884 118.392 120.300 -0.040 0.000 2.896 287 Y HA 0.624 5.174 4.550 0.000 0.000 0.317 287 Y C -0.575 175.311 175.900 -0.024 0.000 1.444 287 Y CA -0.578 57.504 58.100 -0.030 0.000 1.084 287 Y CB 2.184 40.621 38.460 -0.037 0.000 1.382 287 Y HN 0.334 nan 8.280 nan 0.000 0.471 288 S N 0.018 115.855 115.700 0.228 0.000 2.564 288 S HA 0.575 5.045 4.470 -0.000 0.000 0.274 288 S C -1.914 172.738 174.600 0.086 0.000 1.124 288 S CA -0.564 57.703 58.200 0.111 0.000 0.869 288 S CB 2.002 65.251 63.200 0.081 0.000 1.105 288 S HN 0.484 nan 8.310 nan 0.000 0.472 289 E N 1.084 121.315 120.200 0.053 0.000 2.340 289 E HA 0.602 4.952 4.350 -0.000 0.000 0.273 289 E C -2.088 174.530 176.600 0.029 0.000 0.891 289 E CA -0.448 55.972 56.400 0.033 0.000 0.757 289 E CB 1.565 31.279 29.700 0.022 0.000 1.231 289 E HN 0.473 nan 8.360 nan 0.000 0.439 290 D N 3.024 123.438 120.400 0.023 0.000 2.301 290 D HA 0.271 4.911 4.640 -0.000 0.000 0.203 290 D C -0.939 175.373 176.300 0.021 0.000 1.300 290 D CA -0.013 54.002 54.000 0.024 0.000 0.899 290 D CB 1.175 41.992 40.800 0.027 0.000 1.597 290 D HN 0.265 nan 8.370 nan 0.000 0.538 291 V N 1.084 121.011 119.914 0.022 0.000 5.994 291 V HA 0.448 4.568 4.120 -0.000 0.000 0.290 291 V C -0.447 175.667 176.094 0.035 0.000 1.597 291 V CA -0.607 61.706 62.300 0.022 0.000 0.696 291 V CB 1.035 32.864 31.823 0.010 0.000 1.436 291 V HN 0.323 nan 8.190 nan 0.000 0.409 292 D N 1.305 121.732 120.400 0.046 0.000 2.198 292 D HA 0.562 5.202 4.640 -0.000 0.000 0.245 292 D C -0.640 175.723 176.300 0.104 0.000 1.079 292 D CA -0.163 53.877 54.000 0.066 0.000 0.854 292 D CB 0.828 41.670 40.800 0.070 0.000 1.148 292 D HN 0.598 nan 8.370 nan 0.000 0.456 293 I N -0.768 119.855 120.570 0.088 0.000 2.693 293 I HA 0.746 4.916 4.170 -0.000 0.000 0.303 293 I C -0.769 175.389 176.117 0.069 0.000 1.025 293 I CA -0.834 60.529 61.300 0.105 0.000 1.086 293 I CB 2.157 40.201 38.000 0.074 0.000 1.268 293 I HN 0.160 nan 8.210 nan 0.000 0.440 294 E N 1.950 122.188 120.200 0.063 0.000 2.381 294 E HA 0.253 4.603 4.350 -0.000 0.000 0.286 294 E C -1.382 175.184 176.600 -0.057 0.000 0.960 294 E CA -0.627 55.756 56.400 -0.028 0.000 0.793 294 E CB 2.192 31.832 29.700 -0.101 0.000 1.225 294 E HN 0.692 nan 8.360 nan 0.000 0.420 295 T N 3.165 117.678 114.554 -0.067 0.000 2.754 295 T HA 0.135 4.485 4.350 -0.000 0.000 0.282 295 T C -1.937 172.656 174.700 -0.178 0.000 0.923 295 T CA -0.966 61.089 62.100 -0.075 0.000 1.164 295 T CB -0.152 68.691 68.868 -0.042 0.000 0.873 295 T HN 0.178 nan 8.240 nan 0.000 0.537 296 P HA 0.037 nan 4.420 nan 0.000 0.262 296 P C 1.104 178.225 177.300 -0.299 0.000 1.339 296 P CA -0.114 62.604 63.100 -0.636 0.000 0.706 296 P CB 0.217 31.108 31.700 -1.349 0.000 1.424 297 D N -0.584 119.683 120.400 -0.221 0.000 2.346 297 D HA -0.024 4.616 4.640 -0.000 0.000 0.248 297 D C 0.131 176.518 176.300 0.146 0.000 1.173 297 D CA 0.288 54.343 54.000 0.093 0.000 0.878 297 D CB -0.427 40.545 40.800 0.287 0.000 0.919 297 D HN 0.337 nan 8.370 nan 0.000 0.513 298 T N -3.089 111.543 114.554 0.131 0.000 2.633 298 T HA 0.496 4.846 4.350 -0.000 0.000 0.262 298 T C 0.433 175.441 174.700 0.514 0.000 0.920 298 T CA -0.236 62.049 62.100 0.309 0.000 1.062 298 T CB 2.458 71.432 68.868 0.177 0.000 1.390 298 T HN 0.333 nan 8.240 nan 0.000 0.549 299 H N -0.721 118.342 119.070 -0.012 0.000 4.796 299 H HA 0.533 5.089 4.556 -0.000 0.000 0.095 299 H C -0.746 174.571 175.328 -0.019 0.000 1.310 299 H CA 0.176 56.218 56.048 -0.011 0.000 0.787 299 H CB -0.029 29.729 29.762 -0.006 0.000 1.297 299 H HN 0.737 nan 8.280 nan 0.000 0.120 300 I N -0.704 119.692 120.570 -0.290 0.000 2.298 300 I HA 0.250 4.420 4.170 -0.000 0.000 0.315 300 I C -0.408 175.571 176.117 -0.229 0.000 2.427 300 I CA 0.552 61.724 61.300 -0.212 0.000 0.946 300 I CB 1.608 39.565 38.000 -0.071 0.000 1.762 300 I HN 0.529 nan 8.210 nan 0.000 0.688 301 S N 0.425 116.057 115.700 -0.113 0.000 2.589 301 S HA 0.384 4.854 4.470 -0.000 0.000 0.235 301 S C -0.606 174.054 174.600 0.100 0.000 1.051 301 S CA -0.030 58.141 58.200 -0.048 0.000 0.978 301 S CB 0.899 64.062 63.200 -0.062 0.000 0.929 301 S HN 0.522 nan 8.310 nan 0.000 0.523 302 Y N 0.587 120.848 120.300 -0.066 0.000 2.702 302 Y HA 0.642 5.192 4.550 -0.000 0.000 0.336 302 Y C -2.164 173.714 175.900 -0.036 0.000 1.203 302 Y CA -1.663 56.411 58.100 -0.043 0.000 1.072 302 Y CB 1.198 39.640 38.460 -0.030 0.000 1.327 302 Y HN 0.030 nan 8.280 nan 0.000 0.456 303 M N 5.259 124.212 119.600 -1.079 0.000 2.183 303 M HA 0.296 4.776 4.480 -0.000 0.000 0.277 303 M C -2.365 173.242 176.300 -1.155 0.000 0.995 303 M CA -1.893 52.935 55.300 -0.785 0.000 0.969 303 M CB 2.461 34.825 32.600 -0.392 0.000 1.659 303 M HN 0.410 nan 8.290 nan 0.000 0.462 304 P HA -0.049 nan 4.420 nan 0.000 0.218 304 P C -0.006 177.180 177.300 -0.189 0.000 1.149 304 P CA 1.288 64.185 63.100 -0.339 0.000 0.817 304 P CB 0.308 31.919 31.700 -0.149 0.000 0.785 305 T N -2.695 111.742 114.554 -0.195 0.000 2.572 305 T HA 0.650 5.000 4.350 -0.000 0.000 0.274 305 T C -0.205 174.433 174.700 -0.104 0.000 0.949 305 T CA -0.772 61.264 62.100 -0.107 0.000 1.126 305 T CB 0.962 69.787 68.868 -0.073 0.000 1.478 305 T HN -0.212 nan 8.240 nan 0.000 0.492 306 I N -0.722 119.811 120.570 -0.062 0.000 3.074 306 I HA 0.871 5.041 4.170 -0.000 0.000 0.310 306 I C -1.175 174.923 176.117 -0.032 0.000 1.153 306 I CA -1.411 59.860 61.300 -0.048 0.000 0.993 306 I CB 1.947 39.930 38.000 -0.028 0.000 1.237 306 I HN 0.622 nan 8.210 nan 0.000 0.443 307 K N 1.778 122.164 120.400 -0.024 0.000 9.183 307 K HA -0.103 4.217 4.320 -0.000 0.000 1.067 307 K C 0.221 176.814 176.600 -0.011 0.000 2.559 307 K CA 0.609 56.888 56.287 -0.013 0.000 1.118 307 K CB -0.212 32.284 32.500 -0.007 0.000 1.854 307 K HN 0.935 nan 8.250 nan 0.000 0.380 308 E N 0.602 120.800 120.200 -0.002 0.000 2.494 308 E HA 0.071 4.421 4.350 -0.000 0.000 0.193 308 E C 0.567 177.171 176.600 0.007 0.000 1.074 308 E CA 0.967 57.369 56.400 0.002 0.000 0.867 308 E CB 0.119 29.823 29.700 0.007 0.000 0.924 308 E HN 0.609 nan 8.360 nan 0.000 0.502 309 G N 3.326 112.129 108.800 0.005 0.000 3.506 309 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.268 309 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.268 309 G C 0.145 175.051 174.900 0.011 0.000 0.959 309 G CA -0.761 44.346 45.100 0.012 0.000 1.823 309 G HN 0.266 nan 8.290 nan 0.000 0.615 310 N N 1.559 120.269 118.700 0.015 0.000 2.278 310 N HA -0.091 4.649 4.740 -0.000 0.000 0.287 310 N C 0.562 176.091 175.510 0.032 0.000 1.374 310 N CA 0.357 53.417 53.050 0.016 0.000 1.007 310 N CB 0.647 39.153 38.487 0.031 0.000 1.428 310 N HN 0.123 nan 8.380 nan 0.000 0.489 311 S N 2.379 118.080 115.700 0.003 0.000 2.081 311 S HA 0.116 4.586 4.470 -0.000 0.000 0.167 311 S C 1.530 176.127 174.600 -0.004 0.000 1.409 311 S CA 0.266 58.471 58.200 0.008 0.000 2.079 311 S CB 0.301 63.484 63.200 -0.029 0.000 0.384 311 S HN 0.710 nan 8.310 nan 0.000 0.360 312 R N 0.185 120.607 120.500 -0.130 0.000 2.342 312 R HA 0.199 4.539 4.340 -0.000 0.000 0.204 312 R C 1.607 177.575 176.300 -0.552 0.000 0.882 312 R CA 0.273 56.113 56.100 -0.434 0.000 1.041 312 R CB 0.063 30.069 30.300 -0.489 0.000 1.188 312 R HN 0.451 nan 8.270 nan 0.000 0.598 313 E N 1.239 121.241 120.200 -0.330 0.000 2.478 313 E HA 0.073 4.423 4.350 -0.000 0.000 0.194 313 E C 0.242 176.710 176.600 -0.221 0.000 1.045 313 E CA 0.161 56.391 56.400 -0.284 0.000 0.868 313 E CB 0.358 29.943 29.700 -0.192 0.000 0.885 313 E HN 0.063 nan 8.360 nan 0.000 0.505 314 L N 1.493 122.604 121.223 -0.186 0.000 2.544 314 L HA 0.173 4.513 4.340 -0.000 0.000 0.240 314 L C 0.543 177.339 176.870 -0.124 0.000 1.421 314 L CA 0.863 55.623 54.840 -0.134 0.000 1.206 314 L CB -0.353 41.656 42.059 -0.083 0.000 1.463 314 L HN 0.407 nan 8.230 nan 0.000 0.437 315 M N -1.248 118.263 119.600 -0.148 0.000 2.267 315 M HA 0.018 4.498 4.480 -0.000 0.000 0.446 315 M C 1.130 177.357 176.300 -0.121 0.000 1.044 315 M CA 0.147 55.375 55.300 -0.121 0.000 1.122 315 M CB 0.373 32.884 32.600 -0.149 0.000 2.372 315 M HN 0.295 nan 8.290 nan 0.000 0.849 316 G N 2.790 111.503 108.800 -0.144 0.000 3.414 316 G HA2 0.126 4.086 3.960 -0.000 0.000 0.258 316 G HA3 0.126 4.086 3.960 -0.000 0.000 0.258 316 G C 0.107 174.981 174.900 -0.043 0.000 1.348 316 G CA -0.090 44.950 45.100 -0.100 0.000 1.319 316 G HN 0.528 nan 8.290 nan 0.000 0.555 317 Q N -0.877 118.893 119.800 -0.050 0.000 2.301 317 Q HA 0.532 4.872 4.340 -0.000 0.000 0.267 317 Q C -0.429 175.566 176.000 -0.008 0.000 1.035 317 Q CA -0.803 54.984 55.803 -0.026 0.000 0.856 317 Q CB 1.757 30.450 28.738 -0.075 0.000 1.337 317 Q HN 0.196 nan 8.270 nan 0.000 0.450 318 Q N 0.613 120.413 119.800 0.000 0.000 3.007 318 Q HA 0.480 4.820 4.340 -0.000 0.000 0.263 318 Q C -0.556 175.401 176.000 -0.071 0.000 1.155 318 Q CA -0.169 55.619 55.803 -0.025 0.000 0.415 318 Q CB 0.548 29.269 28.738 -0.027 0.000 5.520 318 Q HN 0.713 nan 8.270 nan 0.000 0.331 319 S N -0.905 114.699 115.700 -0.160 0.000 2.714 319 S HA 0.297 4.768 4.470 -0.000 0.000 0.297 319 S C -1.762 172.576 174.600 -0.436 0.000 0.993 319 S CA -0.699 57.352 58.200 -0.250 0.000 0.844 319 S CB 0.784 63.881 63.200 -0.171 0.000 1.043 319 S HN 0.345 nan 8.310 nan 0.000 0.457 320 M N 3.829 123.154 119.600 -0.459 0.000 2.465 320 M HA 0.479 4.959 4.480 -0.000 0.000 0.316 320 M C -2.594 173.571 176.300 -0.224 0.000 1.121 320 M CA -2.082 52.960 55.300 -0.430 0.000 0.934 320 M CB 2.351 34.674 32.600 -0.462 0.000 1.692 320 M HN 0.275 nan 8.290 nan 0.000 0.444 321 P HA 0.153 nan 4.420 nan 0.000 0.209 321 P C -0.929 176.431 177.300 0.101 0.000 1.843 321 P CA -0.429 62.725 63.100 0.089 0.000 0.985 321 P CB -0.798 30.995 31.700 0.154 0.000 1.904 322 N N 1.584 120.400 118.700 0.193 0.000 1.912 322 N HA -0.222 4.518 4.740 -0.000 0.000 0.228 322 N C 0.335 175.884 175.510 0.065 0.000 1.379 322 N CA 0.797 53.949 53.050 0.170 0.000 0.862 322 N CB -0.455 38.100 38.487 0.114 0.000 0.955 322 N HN 0.323 nan 8.380 nan 0.000 0.490 323 R N 0.627 121.160 120.500 0.056 0.000 2.294 323 R HA 0.387 4.727 4.340 -0.000 0.000 0.319 323 R C -1.640 174.675 176.300 0.024 0.000 0.984 323 R CA -1.458 54.695 56.100 0.089 0.000 0.861 323 R CB 0.997 31.393 30.300 0.161 0.000 1.104 323 R HN 0.501 nan 8.270 nan 0.000 0.451 324 P HA -0.141 nan 4.420 nan 0.000 0.287 324 P C -0.845 176.449 177.300 -0.010 0.000 1.282 324 P CA -0.046 63.015 63.100 -0.065 0.000 0.804 324 P CB 0.478 32.155 31.700 -0.038 0.000 1.323 325 N N -1.424 117.207 118.700 -0.115 0.000 2.812 325 N HA 0.141 4.881 4.740 -0.000 0.000 0.262 325 N C -1.813 173.555 175.510 -0.237 0.000 1.241 325 N CA -0.225 52.766 53.050 -0.097 0.000 0.854 325 N CB 0.517 38.950 38.487 -0.090 0.000 1.506 325 N HN 0.230 nan 8.380 nan 0.000 0.576 326 Y N 4.133 124.350 120.300 -0.139 0.000 2.417 326 Y HA 0.441 4.991 4.550 -0.000 0.000 0.336 326 Y C 0.585 176.361 175.900 -0.208 0.000 0.961 326 Y CA -0.638 57.398 58.100 -0.107 0.000 1.215 326 Y CB 0.891 39.297 38.460 -0.089 0.000 1.120 326 Y HN 0.353 nan 8.280 nan 0.000 0.499 327 I N 3.321 123.769 120.570 -0.202 0.000 2.661 327 I HA 0.422 4.592 4.170 -0.000 0.000 0.292 327 I C 0.423 176.418 176.117 -0.202 0.000 1.189 327 I CA -0.510 60.602 61.300 -0.313 0.000 1.123 327 I CB -0.030 37.578 38.000 -0.653 0.000 1.709 327 I HN 0.562 nan 8.210 nan 0.000 0.566 328 A N 3.524 126.279 122.820 -0.108 0.000 2.332 328 A HA 0.433 4.753 4.320 -0.000 0.000 0.258 328 A C -0.439 177.065 177.584 -0.134 0.000 1.087 328 A CA -0.111 51.848 52.037 -0.130 0.000 0.802 328 A CB 0.297 19.244 19.000 -0.088 0.000 1.042 328 A HN 0.590 nan 8.150 nan 0.000 0.489 329 F N 1.984 121.777 119.950 -0.261 0.000 2.499 329 F HA 0.275 4.802 4.527 0.000 0.000 0.353 329 F C 0.327 176.064 175.800 -0.105 0.000 1.196 329 F CA -0.888 56.992 58.000 -0.199 0.000 1.244 329 F CB 0.166 38.990 39.000 -0.293 0.000 1.577 329 F HN 0.667 nan 8.300 nan 0.000 0.614 330 R N 1.663 122.304 120.500 0.235 0.000 3.216 330 R HA -0.296 4.044 4.340 -0.000 0.000 0.173 330 R C -0.037 176.353 176.300 0.150 0.000 0.831 330 R CA 0.430 56.627 56.100 0.162 0.000 0.863 330 R CB -0.504 29.906 30.300 0.184 0.000 1.037 330 R HN 0.523 nan 8.270 nan 0.000 0.328 331 D N 3.257 123.733 120.400 0.128 0.000 5.247 331 D HA -0.207 4.433 4.640 -0.000 0.000 0.184 331 D C -0.113 176.314 176.300 0.211 0.000 1.197 331 D CA 1.160 55.251 54.000 0.152 0.000 0.747 331 D CB -0.027 40.844 40.800 0.119 0.000 1.304 331 D HN 0.583 nan 8.370 nan 0.000 0.732 332 N N 2.765 121.640 118.700 0.291 0.000 3.069 332 N HA -0.221 4.519 4.740 -0.000 0.000 0.246 332 N C -0.053 175.775 175.510 0.531 0.000 1.121 332 N CA 0.170 53.494 53.050 0.457 0.000 0.772 332 N CB -1.772 36.952 38.487 0.395 0.000 1.108 332 N HN 0.565 nan 8.380 nan 0.000 0.548 333 F N -0.067 120.009 119.950 0.210 0.000 2.442 333 F HA -0.250 4.277 4.527 0.000 0.000 0.255 333 F C 0.689 176.431 175.800 -0.097 0.000 1.042 333 F CA -0.057 58.006 58.000 0.104 0.000 0.979 333 F CB -0.565 38.526 39.000 0.151 0.000 1.158 333 F HN 0.217 nan 8.300 nan 0.000 0.818 334 I N 2.404 122.967 120.570 -0.011 0.000 3.398 334 I HA -0.103 4.067 4.170 -0.000 0.000 0.341 334 I C 1.357 177.369 176.117 -0.174 0.000 1.242 334 I CA 0.866 62.118 61.300 -0.080 0.000 1.442 334 I CB -0.255 37.726 38.000 -0.033 0.000 1.342 334 I HN 0.449 nan 8.210 nan 0.000 0.488 335 G N 7.951 116.747 108.800 -0.007 0.000 2.365 335 G HA2 0.420 4.380 3.960 -0.000 0.000 0.293 335 G HA3 0.420 4.380 3.960 -0.000 0.000 0.293 335 G C -0.189 174.745 174.900 0.056 0.000 1.128 335 G CA -0.602 44.509 45.100 0.017 0.000 0.971 335 G HN 0.582 nan 8.290 nan 0.000 0.422 336 L N 3.319 124.504 121.223 -0.062 0.000 2.556 336 L HA 0.411 4.751 4.340 -0.000 0.000 0.245 336 L C 0.461 177.261 176.870 -0.117 0.000 1.174 336 L CA 0.046 54.857 54.840 -0.049 0.000 1.117 336 L CB 0.059 42.098 42.059 -0.034 0.000 1.409 336 L HN 0.424 nan 8.230 nan 0.000 0.411 337 M N -0.265 119.257 119.600 -0.130 0.000 2.528 337 M HA 0.336 4.816 4.480 -0.000 0.000 0.321 337 M C -0.758 175.715 176.300 0.289 0.000 1.153 337 M CA -0.625 54.663 55.300 -0.021 0.000 0.951 337 M CB 2.296 34.410 32.600 -0.810 0.000 1.705 337 M HN 0.083 nan 8.290 nan 0.000 0.451 338 Y N 2.468 123.100 120.300 0.554 0.000 2.889 338 Y HA 0.073 4.623 4.550 -0.000 0.000 0.367 338 Y C 0.051 176.112 175.900 0.269 0.000 1.197 338 Y CA 0.197 58.436 58.100 0.231 0.000 1.993 338 Y CB -1.147 37.278 38.460 -0.058 0.000 2.112 338 Y HN 0.563 nan 8.280 nan 0.000 0.413 339 Y N -0.302 120.406 120.300 0.680 0.000 2.385 339 Y HA -0.256 4.294 4.550 -0.000 0.000 0.214 339 Y C 1.072 177.175 175.900 0.339 0.000 0.957 339 Y CA 0.905 59.421 58.100 0.692 0.000 0.957 339 Y CB -0.716 38.042 38.460 0.495 0.000 0.991 339 Y HN 0.146 nan 8.280 nan 0.000 0.522 340 N N 0.779 119.760 118.700 0.468 0.000 2.394 340 N HA 0.158 4.898 4.740 -0.000 0.000 0.288 340 N C -0.543 175.083 175.510 0.194 0.000 1.272 340 N CA 0.434 53.640 53.050 0.259 0.000 1.004 340 N CB 0.498 39.095 38.487 0.182 0.000 1.393 340 N HN 0.253 nan 8.380 nan 0.000 0.488 341 S N -0.180 115.598 115.700 0.131 0.000 4.063 341 S HA 0.380 4.850 4.470 -0.000 0.000 0.275 341 S C -1.583 173.009 174.600 -0.014 0.000 1.029 341 S CA -0.417 57.823 58.200 0.067 0.000 1.325 341 S CB 0.075 63.336 63.200 0.101 0.000 1.800 341 S HN 0.499 nan 8.310 nan 0.000 0.406 342 T N 0.132 114.637 114.554 -0.082 0.000 2.949 342 T HA 0.580 4.930 4.350 -0.000 0.000 0.300 342 T C 1.081 175.669 174.700 -0.187 0.000 0.988 342 T CA 0.473 62.503 62.100 -0.117 0.000 0.993 342 T CB 0.616 69.431 68.868 -0.087 0.000 0.984 342 T HN 1.852 nan 8.240 nan 0.000 0.442 343 G N 4.033 112.715 108.800 -0.196 0.000 2.445 343 G HA2 -0.464 3.496 3.960 -0.000 0.000 0.257 343 G HA3 -0.464 3.496 3.960 -0.000 0.000 0.257 343 G C 0.890 175.605 174.900 -0.309 0.000 0.998 343 G CA 1.217 46.178 45.100 -0.232 0.000 0.656 343 G HN 1.043 nan 8.290 nan 0.000 0.580 344 N N 0.474 118.961 118.700 -0.355 0.000 2.501 344 N HA 0.153 4.893 4.740 -0.000 0.000 0.195 344 N C 1.677 176.865 175.510 -0.536 0.000 1.213 344 N CA 0.713 53.478 53.050 -0.475 0.000 0.864 344 N CB -0.211 37.859 38.487 -0.694 0.000 0.999 344 N HN 0.775 nan 8.380 nan 0.000 0.454 345 M N -0.300 118.955 119.600 -0.574 0.000 2.316 345 M HA 0.584 5.064 4.480 -0.000 0.000 0.213 345 M C 0.236 175.933 176.300 -1.006 0.000 1.072 345 M CA -0.237 54.460 55.300 -1.006 0.000 1.878 345 M CB 0.354 32.409 32.600 -0.908 0.000 1.112 345 M HN -0.137 nan 8.290 nan 0.000 0.907 346 G N -0.035 108.165 108.800 -1.000 0.000 2.702 346 G HA2 0.533 4.493 3.960 -0.000 0.000 0.296 346 G HA3 0.533 4.493 3.960 -0.000 0.000 0.296 346 G C -1.968 172.715 174.900 -0.362 0.000 1.463 346 G CA -0.598 44.160 45.100 -0.569 0.000 0.890 346 G HN 0.506 nan 8.290 nan 0.000 0.534 347 V N 0.690 120.442 119.914 -0.271 0.000 2.837 347 V HA 0.569 4.689 4.120 -0.000 0.000 0.310 347 V C 0.106 176.097 176.094 -0.172 0.000 1.059 347 V CA -0.452 61.742 62.300 -0.178 0.000 1.004 347 V CB 1.765 33.509 31.823 -0.133 0.000 1.045 347 V HN 0.605 nan 8.190 nan 0.000 0.465 348 L N 2.831 123.996 121.223 -0.096 0.000 3.431 348 L HA 0.478 4.818 4.340 -0.000 0.000 0.316 348 L C 0.866 177.729 176.870 -0.012 0.000 1.305 348 L CA 0.284 55.093 54.840 -0.052 0.000 0.995 348 L CB 0.066 42.109 42.059 -0.027 0.000 1.411 348 L HN 0.714 nan 8.230 nan 0.000 0.610 349 A N -0.206 122.608 122.820 -0.010 0.000 2.363 349 A HA 0.472 4.792 4.320 -0.000 0.000 0.291 349 A C 0.941 178.563 177.584 0.063 0.000 1.210 349 A CA 0.736 52.778 52.037 0.008 0.000 0.892 349 A CB -0.441 18.566 19.000 0.012 0.000 1.121 349 A HN 0.332 nan 8.150 nan 0.000 0.522 350 G N -3.348 105.507 108.800 0.091 0.000 2.509 350 G HA2 0.440 4.400 3.960 -0.000 0.000 0.328 350 G HA3 0.440 4.400 3.960 -0.000 0.000 0.328 350 G C 0.366 175.365 174.900 0.166 0.000 1.194 350 G CA -0.188 45.053 45.100 0.235 0.000 0.967 350 G HN 0.550 nan 8.290 nan 0.000 0.488 351 Q N -0.010 119.888 119.800 0.164 0.000 1.900 351 Q HA -0.106 4.234 4.340 -0.000 0.000 0.219 351 Q C 1.987 178.018 176.000 0.050 0.000 1.012 351 Q CA 1.585 57.430 55.803 0.071 0.000 0.876 351 Q CB -1.015 27.738 28.738 0.026 0.000 0.952 351 Q HN 0.699 nan 8.270 nan 0.000 0.419 352 A N -0.581 122.264 122.820 0.042 0.000 2.429 352 A HA 0.268 4.588 4.320 -0.000 0.000 0.242 352 A C 1.139 178.744 177.584 0.035 0.000 1.088 352 A CA 0.974 53.023 52.037 0.019 0.000 0.784 352 A CB 0.141 19.137 19.000 -0.006 0.000 1.038 352 A HN 0.567 nan 8.150 nan 0.000 0.501 353 S N -1.088 114.625 115.700 0.021 0.000 1.980 353 S HA -0.341 4.129 4.470 -0.000 0.000 0.219 353 S C 0.980 175.592 174.600 0.019 0.000 1.055 353 S CA 1.582 59.795 58.200 0.022 0.000 1.668 353 S CB -1.257 61.963 63.200 0.033 0.000 2.236 353 S HN 1.377 nan 8.310 nan 0.000 0.569 354 Q N -0.105 119.712 119.800 0.029 0.000 2.426 354 Q HA -0.175 4.165 4.340 -0.000 0.000 0.254 354 Q C -0.109 175.898 176.000 0.012 0.000 1.017 354 Q CA 0.902 56.719 55.803 0.023 0.000 1.083 354 Q CB -1.807 26.938 28.738 0.011 0.000 1.552 354 Q HN 0.809 nan 8.270 nan 0.000 0.532 355 L N 2.443 123.675 121.223 0.015 0.000 2.565 355 L HA 0.009 4.349 4.340 -0.000 0.000 0.275 355 L C 0.572 177.446 176.870 0.006 0.000 1.137 355 L CA 0.563 55.408 54.840 0.009 0.000 0.915 355 L CB -0.095 41.972 42.059 0.013 0.000 1.232 355 L HN 0.358 nan 8.230 nan 0.000 0.473 356 N N 3.169 121.868 118.700 -0.002 0.000 2.257 356 N HA -0.057 4.683 4.740 -0.000 0.000 0.289 356 N C 0.844 176.366 175.510 0.019 0.000 1.348 356 N CA 0.646 53.690 53.050 -0.010 0.000 1.054 356 N CB 0.419 38.892 38.487 -0.024 0.000 1.478 356 N HN 0.579 nan 8.380 nan 0.000 0.486 357 A N 2.292 125.124 122.820 0.018 0.000 2.239 357 A HA 0.104 4.424 4.320 -0.000 0.000 0.209 357 A C 0.324 177.983 177.584 0.126 0.000 1.171 357 A CA 0.087 52.161 52.037 0.062 0.000 0.768 357 A CB 0.099 19.105 19.000 0.009 0.000 0.790 357 A HN 0.464 nan 8.150 nan 0.000 0.478 358 V N 0.467 120.408 119.914 0.044 0.000 2.483 358 V HA 0.566 4.686 4.120 -0.000 0.000 0.297 358 V C -0.739 175.306 176.094 -0.082 0.000 1.027 358 V CA -0.732 61.569 62.300 0.002 0.000 0.855 358 V CB 1.300 33.108 31.823 -0.026 0.000 0.995 358 V HN 0.095 nan 8.190 nan 0.000 0.424 359 V N 2.922 122.713 119.914 -0.204 0.000 2.925 359 V HA 0.776 4.896 4.120 -0.000 0.000 0.311 359 V C -0.667 175.300 176.094 -0.210 0.000 1.104 359 V CA -0.518 61.656 62.300 -0.210 0.000 0.954 359 V CB 2.104 33.798 31.823 -0.215 0.000 1.022 359 V HN 1.032 nan 8.190 nan 0.000 0.427 360 D N 2.205 122.551 120.400 -0.090 0.000 2.895 360 D HA 0.727 5.367 4.640 -0.000 0.000 0.320 360 D C -1.711 174.598 176.300 0.016 0.000 1.249 360 D CA -0.639 53.363 54.000 0.004 0.000 0.997 360 D CB 2.807 43.697 40.800 0.151 0.000 1.430 360 D HN 0.566 nan 8.370 nan 0.000 0.558 361 L N -0.446 120.817 121.223 0.068 0.000 2.672 361 L HA 0.117 4.457 4.340 -0.000 0.000 0.256 361 L C 0.257 177.182 176.870 0.092 0.000 0.946 361 L CA -0.476 54.401 54.840 0.062 0.000 0.889 361 L CB 1.963 44.048 42.059 0.043 0.000 1.441 361 L HN 0.483 nan 8.230 nan 0.000 0.418 362 Q N -0.185 119.667 119.800 0.087 0.000 2.576 362 Q HA -0.043 4.297 4.340 -0.000 0.000 0.218 362 Q C -0.479 175.583 176.000 0.102 0.000 0.983 362 Q CA 0.520 56.383 55.803 0.099 0.000 0.920 362 Q CB -0.515 28.273 28.738 0.085 0.000 0.973 362 Q HN 0.444 nan 8.270 nan 0.000 0.528 363 D N 1.689 122.145 120.400 0.093 0.000 2.344 363 D HA 0.100 4.740 4.640 -0.000 0.000 0.244 363 D C -0.037 176.323 176.300 0.099 0.000 1.134 363 D CA -0.213 53.846 54.000 0.098 0.000 0.930 363 D CB 0.568 41.419 40.800 0.084 0.000 1.175 363 D HN 0.095 nan 8.370 nan 0.000 0.437 364 R N 1.369 121.932 120.500 0.104 0.000 2.120 364 R HA -0.290 4.050 4.340 -0.000 0.000 0.247 364 R C -1.350 174.983 176.300 0.055 0.000 1.354 364 R CA 0.433 56.577 56.100 0.073 0.000 1.305 364 R CB -0.380 29.942 30.300 0.037 0.000 3.442 364 R HN 0.512 nan 8.270 nan 0.000 0.291 365 N N 1.505 120.221 118.700 0.026 0.000 2.558 365 N HA 0.216 4.956 4.740 -0.000 0.000 0.242 365 N C 0.060 175.485 175.510 -0.140 0.000 0.979 365 N CA -0.026 53.019 53.050 -0.008 0.000 0.931 365 N CB 1.495 40.044 38.487 0.103 0.000 1.122 365 N HN 0.505 nan 8.380 nan 0.000 0.508 366 T N 1.049 115.471 114.554 -0.221 0.000 3.072 366 T HA -0.003 4.347 4.350 -0.000 0.000 0.266 366 T C 1.412 175.838 174.700 -0.457 0.000 1.127 366 T CA 0.840 62.718 62.100 -0.371 0.000 1.107 366 T CB 0.167 68.757 68.868 -0.463 0.000 0.910 366 T HN 0.430 nan 8.240 nan 0.000 0.513 367 E N 0.458 120.426 120.200 -0.386 0.000 2.051 367 E HA -0.003 4.347 4.350 -0.000 0.000 0.189 367 E C 1.852 178.313 176.600 -0.232 0.000 0.979 367 E CA 0.838 57.000 56.400 -0.397 0.000 0.803 367 E CB -0.048 29.509 29.700 -0.239 0.000 0.761 367 E HN 0.298 nan 8.360 nan 0.000 0.451 368 L N 0.476 121.630 121.223 -0.114 0.000 2.357 368 L HA 0.060 4.400 4.340 -0.000 0.000 0.211 368 L C 2.272 179.097 176.870 -0.075 0.000 1.075 368 L CA 1.222 56.028 54.840 -0.057 0.000 0.830 368 L CB -0.630 41.356 42.059 -0.121 0.000 0.996 368 L HN -0.038 nan 8.230 nan 0.000 0.467 369 S N -0.634 114.987 115.700 -0.132 0.000 2.421 369 S HA -0.328 4.142 4.470 -0.000 0.000 0.239 369 S C 1.671 176.236 174.600 -0.058 0.000 1.054 369 S CA 1.101 59.218 58.200 -0.138 0.000 1.035 369 S CB -0.664 62.431 63.200 -0.175 0.000 0.840 369 S HN 0.468 nan 8.310 nan 0.000 0.475 370 Y N 3.251 123.437 120.300 -0.190 0.000 1.539 370 Y HA -0.373 4.177 4.550 -0.000 0.000 0.165 370 Y C 2.452 178.246 175.900 -0.178 0.000 0.597 370 Y CA 1.704 59.704 58.100 -0.167 0.000 0.671 370 Y CB -1.346 37.029 38.460 -0.142 0.000 0.702 370 Y HN 0.630 nan 8.280 nan 0.000 0.820 371 Q N -0.136 119.513 119.800 -0.252 0.000 2.204 371 Q HA -0.355 3.985 4.340 -0.000 0.000 0.220 371 Q C 1.878 177.711 176.000 -0.279 0.000 1.064 371 Q CA 3.309 58.921 55.803 -0.319 0.000 0.946 371 Q CB -1.713 26.882 28.738 -0.238 0.000 1.083 371 Q HN 0.764 nan 8.270 nan 0.000 0.443 372 L N -0.407 120.557 121.223 -0.432 0.000 2.435 372 L HA -0.245 4.095 4.340 -0.000 0.000 0.220 372 L C 2.059 178.809 176.870 -0.201 0.000 1.108 372 L CA 1.044 55.554 54.840 -0.551 0.000 0.786 372 L CB -0.746 41.045 42.059 -0.447 0.000 0.894 372 L HN 0.210 nan 8.230 nan 0.000 0.442 373 L N -1.546 119.602 121.223 -0.127 0.000 2.590 373 L HA 0.121 4.461 4.340 -0.000 0.000 0.227 373 L C 1.327 178.176 176.870 -0.035 0.000 1.099 373 L CA 0.795 55.598 54.840 -0.061 0.000 0.872 373 L CB -0.124 41.883 42.059 -0.086 0.000 1.088 373 L HN 0.157 nan 8.230 nan 0.000 0.479 374 L N 0.459 121.652 121.223 -0.050 0.000 2.805 374 L HA 0.133 4.473 4.340 -0.000 0.000 0.237 374 L C 1.236 178.137 176.870 0.051 0.000 1.252 374 L CA 0.423 55.245 54.840 -0.030 0.000 1.064 374 L CB -0.585 41.410 42.059 -0.108 0.000 1.361 374 L HN 0.285 nan 8.230 nan 0.000 0.474 375 D N -3.965 116.508 120.400 0.121 0.000 2.473 375 D HA -0.015 4.625 4.640 -0.000 0.000 0.230 375 D C 1.636 178.017 176.300 0.135 0.000 1.097 375 D CA 0.511 54.624 54.000 0.189 0.000 0.861 375 D CB 0.075 41.143 40.800 0.446 0.000 1.114 375 D HN 0.091 nan 8.370 nan 0.000 0.500 376 S N 0.359 116.127 115.700 0.113 0.000 2.515 376 S HA 0.005 4.475 4.470 -0.000 0.000 0.231 376 S C 1.356 176.015 174.600 0.098 0.000 0.987 376 S CA 0.248 58.511 58.200 0.104 0.000 0.936 376 S CB -0.552 62.689 63.200 0.068 0.000 0.766 376 S HN 0.484 nan 8.310 nan 0.000 0.528 377 I N -1.322 119.292 120.570 0.074 0.000 3.064 377 I HA 0.747 4.917 4.170 -0.000 0.000 0.340 377 I C 0.006 176.157 176.117 0.057 0.000 1.405 377 I CA -0.248 61.089 61.300 0.063 0.000 0.912 377 I CB 0.678 38.696 38.000 0.031 0.000 1.993 377 I HN 0.114 nan 8.210 nan 0.000 0.547 378 G N 1.552 110.394 108.800 0.070 0.000 2.320 378 G HA2 0.029 3.989 3.960 -0.000 0.000 0.297 378 G HA3 0.029 3.989 3.960 -0.000 0.000 0.297 378 G C -0.904 174.010 174.900 0.024 0.000 1.344 378 G CA 0.064 45.191 45.100 0.045 0.000 0.851 378 G HN 0.175 nan 8.290 nan 0.000 0.567 379 D N -0.815 119.579 120.400 -0.009 0.000 2.201 379 D HA 0.088 4.728 4.640 -0.000 0.000 0.209 379 D C 1.859 178.095 176.300 -0.107 0.000 0.961 379 D CA 1.172 55.143 54.000 -0.048 0.000 0.861 379 D CB 0.122 40.890 40.800 -0.054 0.000 0.997 379 D HN 0.458 nan 8.370 nan 0.000 0.486 380 R N -1.460 118.965 120.500 -0.124 0.000 3.426 380 R HA -0.138 4.202 4.340 -0.000 0.000 0.478 380 R C 0.696 176.719 176.300 -0.461 0.000 0.673 380 R CA 1.408 57.389 56.100 -0.199 0.000 1.455 380 R CB -3.213 26.993 30.300 -0.157 0.000 2.122 380 R HN 0.439 nan 8.270 nan 0.000 0.418 381 T N 0.259 114.550 114.554 -0.437 0.000 3.218 381 T HA 0.392 4.742 4.350 -0.000 0.000 0.241 381 T C 0.261 174.720 174.700 -0.401 0.000 0.929 381 T CA -0.472 61.259 62.100 -0.615 0.000 0.979 381 T CB -0.139 68.519 68.868 -0.350 0.000 1.129 381 T HN 0.354 nan 8.240 nan 0.000 0.559 382 R N 0.746 121.029 120.500 -0.362 0.000 2.672 382 R HA 0.204 4.544 4.340 -0.000 0.000 0.228 382 R C -0.594 175.672 176.300 -0.056 0.000 1.501 382 R CA -0.745 55.282 56.100 -0.123 0.000 1.514 382 R CB -0.707 29.554 30.300 -0.065 0.000 1.489 382 R HN 0.191 nan 8.270 nan 0.000 0.747 383 Y N 1.433 121.756 120.300 0.038 0.000 1.591 383 Y HA -0.062 4.488 4.550 -0.000 0.000 0.110 383 Y C 0.840 176.903 175.900 0.272 0.000 0.663 383 Y CA 1.898 60.069 58.100 0.118 0.000 0.472 383 Y CB -0.061 38.452 38.460 0.087 0.000 0.640 383 Y HN 0.422 nan 8.280 nan 0.000 0.762 384 F N -2.564 117.565 119.950 0.299 0.000 2.945 384 F HA 0.336 4.863 4.527 -0.000 0.000 0.336 384 F C -1.281 174.552 175.800 0.054 0.000 1.122 384 F CA -0.582 57.487 58.000 0.115 0.000 0.880 384 F CB 0.410 39.459 39.000 0.082 0.000 1.477 384 F HN 0.219 nan 8.300 nan 0.000 0.454 385 S N 5.053 120.432 115.700 -0.534 0.000 2.533 385 S HA 0.826 5.296 4.470 -0.000 0.000 0.271 385 S C -0.596 173.532 174.600 -0.786 0.000 1.143 385 S CA 0.235 58.203 58.200 -0.387 0.000 0.891 385 S CB 1.919 64.960 63.200 -0.266 0.000 1.105 385 S HN 1.120 nan 8.310 nan 0.000 0.468 386 M N 1.680 120.937 119.600 -0.572 0.000 3.041 386 M HA -0.036 4.444 4.480 -0.000 0.000 0.250 386 M C -0.741 175.197 176.300 -0.603 0.000 0.480 386 M CA 1.438 56.068 55.300 -1.117 0.000 0.955 386 M CB -1.031 30.118 32.600 -2.418 0.000 3.306 386 M HN 0.863 nan 8.290 nan 0.000 0.390 387 W N 1.405 122.933 121.300 0.381 0.000 2.804 387 W HA 0.353 5.013 4.660 -0.000 0.000 0.205 387 W C -0.077 176.711 176.519 0.448 0.000 0.994 387 W CA 0.349 57.987 57.345 0.487 0.000 1.269 387 W CB -0.576 29.029 29.460 0.241 0.000 0.761 387 W HN 0.439 nan 8.180 nan 0.000 0.745 388 N N 2.754 121.700 118.700 0.410 0.000 3.678 388 N HA -0.340 4.400 4.740 -0.000 0.000 0.301 388 N C 0.871 176.586 175.510 0.342 0.000 1.992 388 N CA 1.254 54.593 53.050 0.482 0.000 2.672 388 N CB -0.878 37.759 38.487 0.249 0.000 0.578 388 N HN 0.664 nan 8.380 nan 0.000 0.737 389 Q N 1.662 121.616 119.800 0.256 0.000 2.344 389 Q HA -0.253 4.087 4.340 -0.000 0.000 0.212 389 Q C 1.525 177.670 176.000 0.242 0.000 0.991 389 Q CA 1.876 57.777 55.803 0.163 0.000 0.897 389 Q CB -0.482 28.344 28.738 0.148 0.000 0.915 389 Q HN 1.486 nan 8.270 nan 0.000 0.438 390 A N -0.189 122.809 122.820 0.296 0.000 2.633 390 A HA -0.241 4.079 4.320 -0.000 0.000 0.308 390 A C 0.760 178.463 177.584 0.199 0.000 1.436 390 A CA 1.040 53.214 52.037 0.228 0.000 1.094 390 A CB -2.125 16.949 19.000 0.123 0.000 0.852 390 A HN 0.484 nan 8.150 nan 0.000 0.518 391 V N 0.824 120.900 119.914 0.270 0.000 2.752 391 V HA 0.105 4.226 4.120 -0.000 0.000 0.306 391 V C 0.701 176.931 176.094 0.225 0.000 1.099 391 V CA 1.009 63.448 62.300 0.232 0.000 1.240 391 V CB 0.151 32.124 31.823 0.251 0.000 0.887 391 V HN 0.630 nan 8.190 nan 0.000 0.499 392 D N 4.026 124.512 120.400 0.142 0.000 2.432 392 D HA 0.776 5.416 4.640 -0.000 0.000 0.258 392 D C 0.173 176.656 176.300 0.304 0.000 1.146 392 D CA 0.202 54.328 54.000 0.211 0.000 1.015 392 D CB 1.447 42.429 40.800 0.303 0.000 1.107 392 D HN 0.869 nan 8.370 nan 0.000 0.529 393 S N -1.910 113.973 115.700 0.305 0.000 3.241 393 S HA 0.452 4.922 4.470 -0.000 0.000 0.305 393 S C -1.339 173.497 174.600 0.393 0.000 1.234 393 S CA -0.790 57.600 58.200 0.317 0.000 1.238 393 S CB 0.231 63.487 63.200 0.093 0.000 1.504 393 S HN 0.635 nan 8.310 nan 0.000 0.508 394 Y N 0.112 120.393 120.300 -0.031 0.000 3.217 394 Y HA 0.853 5.403 4.550 -0.000 0.000 0.253 394 Y C -0.812 175.068 175.900 -0.035 0.000 2.287 394 Y CA -1.246 56.818 58.100 -0.061 0.000 0.933 394 Y CB -0.296 38.111 38.460 -0.088 0.000 1.794 394 Y HN 0.583 nan 8.280 nan 0.000 0.475 395 D N -0.224 120.256 120.400 0.133 0.000 2.732 395 D HA 0.310 4.950 4.640 -0.000 0.000 0.292 395 D C -2.133 174.182 176.300 0.026 0.000 1.135 395 D CA -1.662 52.371 54.000 0.054 0.000 1.071 395 D CB 1.250 42.105 40.800 0.091 0.000 1.457 395 D HN 0.105 nan 8.370 nan 0.000 0.547 396 P HA -0.026 nan 4.420 nan 0.000 0.229 396 P C -0.871 176.470 177.300 0.069 0.000 1.150 396 P CA 1.244 64.356 63.100 0.020 0.000 0.765 396 P CB 0.259 31.982 31.700 0.037 0.000 0.783 397 D N -1.682 118.799 120.400 0.134 0.000 3.784 397 D HA 0.212 4.852 4.640 -0.000 0.000 0.261 397 D C -0.502 175.879 176.300 0.134 0.000 1.391 397 D CA -0.151 53.950 54.000 0.170 0.000 0.797 397 D CB 0.158 41.101 40.800 0.237 0.000 1.391 397 D HN -0.090 nan 8.370 nan 0.000 0.734 398 V N 0.227 120.227 119.914 0.143 0.000 3.156 398 V HA 0.587 4.707 4.120 -0.000 0.000 0.310 398 V C 1.132 177.193 176.094 -0.054 0.000 1.234 398 V CA -0.422 61.874 62.300 -0.007 0.000 1.065 398 V CB 2.571 34.377 31.823 -0.029 0.000 1.088 398 V HN 0.574 nan 8.190 nan 0.000 0.451 399 R N 0.759 121.109 120.500 -0.250 0.000 1.196 399 R HA -0.218 4.122 4.340 -0.000 0.000 0.018 399 R C -0.366 175.673 176.300 -0.436 0.000 0.961 399 R CA 2.271 58.081 56.100 -0.485 0.000 1.985 399 R CB -1.265 28.331 30.300 -1.174 0.000 0.134 399 R HN 0.461 nan 8.270 nan 0.000 0.731 400 I N 2.498 122.822 120.570 -0.409 0.000 2.668 400 I HA 0.330 4.500 4.170 -0.000 0.000 0.276 400 I C -0.401 175.660 176.117 -0.092 0.000 1.139 400 I CA -1.444 59.718 61.300 -0.230 0.000 1.133 400 I CB 0.328 38.202 38.000 -0.210 0.000 1.327 400 I HN 0.312 nan 8.210 nan 0.000 0.520 401 I N 2.909 123.420 120.570 -0.099 0.000 3.055 401 I HA -0.105 4.065 4.170 -0.000 0.000 0.308 401 I C 0.779 176.929 176.117 0.054 0.000 1.224 401 I CA 0.549 61.818 61.300 -0.051 0.000 1.443 401 I CB -0.042 37.859 38.000 -0.165 0.000 1.318 401 I HN 0.476 nan 8.210 nan 0.000 0.577 402 E N 3.884 124.166 120.200 0.137 0.000 2.102 402 E HA 0.267 4.617 4.350 -0.000 0.000 0.263 402 E C -0.894 175.974 176.600 0.446 0.000 0.894 402 E CA -0.371 56.167 56.400 0.231 0.000 0.746 402 E CB 0.430 30.246 29.700 0.194 0.000 1.129 402 E HN 0.458 nan 8.360 nan 0.000 0.416 403 N N 3.364 122.299 118.700 0.391 0.000 2.719 403 N HA 0.047 4.787 4.740 -0.000 0.000 0.243 403 N C -0.850 174.942 175.510 0.469 0.000 1.104 403 N CA -0.146 53.213 53.050 0.515 0.000 0.981 403 N CB 0.287 38.976 38.487 0.336 0.000 1.290 403 N HN 0.598 nan 8.380 nan 0.000 0.513 404 H N 0.458 119.703 119.070 0.291 0.000 2.713 404 H HA 0.339 4.895 4.556 -0.000 0.000 0.294 404 H C 1.545 176.905 175.328 0.053 0.000 1.366 404 H CA -0.616 55.508 56.048 0.127 0.000 1.139 404 H CB -0.058 29.750 29.762 0.077 0.000 1.487 404 H HN 0.528 nan 8.280 nan 0.000 0.504 405 G N 1.929 110.792 108.800 0.104 0.000 2.661 405 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.327 405 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.327 405 G C -0.020 174.648 174.900 -0.387 0.000 1.320 405 G CA 0.840 45.924 45.100 -0.027 0.000 0.997 405 G HN 0.912 nan 8.290 nan 0.000 0.543 406 T N -3.006 111.308 114.554 -0.400 0.000 3.193 406 T HA 0.571 4.921 4.350 -0.000 0.000 0.332 406 T C -0.167 174.321 174.700 -0.353 0.000 1.208 406 T CA 0.106 61.840 62.100 -0.610 0.000 1.080 406 T CB 1.920 70.297 68.868 -0.819 0.000 1.180 406 T HN 0.605 nan 8.240 nan 0.000 0.469 407 E N 1.542 121.545 120.200 -0.329 0.000 2.461 407 E HA -0.008 4.342 4.350 -0.000 0.000 0.196 407 E C 1.222 177.717 176.600 -0.175 0.000 1.129 407 E CA 0.146 56.431 56.400 -0.192 0.000 0.902 407 E CB 0.040 29.652 29.700 -0.146 0.000 0.963 407 E HN 0.708 nan 8.360 nan 0.000 0.503 408 D N 0.867 121.140 120.400 -0.211 0.000 2.006 408 D HA -0.085 4.555 4.640 -0.000 0.000 0.304 408 D C 0.801 177.032 176.300 -0.115 0.000 1.101 408 D CA 0.377 54.278 54.000 -0.164 0.000 0.903 408 D CB 0.007 40.696 40.800 -0.185 0.000 1.058 408 D HN 0.080 nan 8.370 nan 0.000 0.361 409 E N -1.034 119.105 120.200 -0.102 0.000 4.079 409 E HA -0.227 4.123 4.350 -0.000 0.000 0.188 409 E C 0.455 177.009 176.600 -0.076 0.000 1.200 409 E CA 1.001 57.355 56.400 -0.076 0.000 2.371 409 E CB -1.610 28.051 29.700 -0.064 0.000 1.792 409 E HN 0.357 nan 8.360 nan 0.000 0.412 410 L N 3.592 124.775 121.223 -0.067 0.000 2.870 410 L HA -0.090 4.250 4.340 -0.000 0.000 0.330 410 L C -1.792 175.026 176.870 -0.087 0.000 1.240 410 L CA 0.284 55.089 54.840 -0.059 0.000 0.847 410 L CB -0.750 41.282 42.059 -0.044 0.000 1.111 410 L HN 0.255 nan 8.230 nan 0.000 0.542 411 P HA -0.009 nan 4.420 nan 0.000 0.262 411 P C -0.917 176.273 177.300 -0.183 0.000 1.199 411 P CA 0.133 63.107 63.100 -0.210 0.000 0.763 411 P CB 0.181 31.817 31.700 -0.106 0.000 0.790 412 N N 2.634 121.168 118.700 -0.277 0.000 2.735 412 N HA 0.182 4.922 4.740 -0.000 0.000 0.312 412 N C -0.049 175.366 175.510 -0.157 0.000 1.843 412 N CA -0.462 52.499 53.050 -0.148 0.000 0.945 412 N CB -0.249 38.170 38.487 -0.113 0.000 1.299 412 N HN 0.292 nan 8.380 nan 0.000 0.489 413 Y N 0.501 120.794 120.300 -0.012 0.000 2.321 413 Y HA 0.170 4.720 4.550 -0.000 0.000 0.434 413 Y C 1.212 177.031 175.900 -0.134 0.000 1.273 413 Y CA -0.679 57.362 58.100 -0.098 0.000 1.962 413 Y CB 0.394 38.879 38.460 0.042 0.000 1.659 413 Y HN 0.347 nan 8.280 nan 0.000 0.726 414 C N -0.953 118.256 119.300 -0.151 0.000 3.226 414 C HA 0.390 4.850 4.460 -0.000 0.000 0.429 414 C C -1.502 173.266 174.990 -0.370 0.000 0.942 414 C CA -1.775 57.183 59.018 -0.099 0.000 1.262 414 C CB -1.480 26.226 27.740 -0.056 0.000 1.674 414 C HN 0.436 nan 8.230 nan 0.000 0.596 415 F N 1.725 121.687 119.950 0.020 0.000 2.480 415 F HA 0.804 5.331 4.527 -0.000 0.000 0.329 415 F C -1.323 174.455 175.800 -0.036 0.000 1.091 415 F CA -2.067 55.928 58.000 -0.008 0.000 0.972 415 F CB 0.498 39.472 39.000 -0.043 0.000 1.150 415 F HN 0.377 nan 8.300 nan 0.000 0.467 416 P HA 0.067 nan 4.420 nan 0.000 0.276 416 P C 0.939 178.194 177.300 -0.075 0.000 1.264 416 P CA -0.285 62.827 63.100 0.020 0.000 0.815 416 P CB 0.429 32.150 31.700 0.034 0.000 1.121 417 L N -2.002 119.132 121.223 -0.148 0.000 2.357 417 L HA -0.090 4.250 4.340 -0.000 0.000 0.220 417 L C 1.742 178.209 176.870 -0.671 0.000 1.123 417 L CA 2.089 56.660 54.840 -0.448 0.000 0.782 417 L CB -1.325 40.554 42.059 -0.301 0.000 0.910 417 L HN 0.589 nan 8.230 nan 0.000 0.442 418 G N -2.824 105.779 108.800 -0.327 0.000 2.453 418 G HA2 0.432 4.392 3.960 -0.000 0.000 0.184 418 G HA3 0.432 4.392 3.960 -0.000 0.000 0.184 418 G C 1.041 175.873 174.900 -0.113 0.000 1.342 418 G CA 0.496 45.429 45.100 -0.278 0.000 0.771 418 G HN 0.428 nan 8.290 nan 0.000 0.956 419 G N -0.880 107.911 108.800 -0.016 0.000 2.490 419 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.214 419 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.214 419 G C 0.025 175.002 174.900 0.127 0.000 1.151 419 G CA 0.494 45.652 45.100 0.097 0.000 0.684 419 G HN 1.310 nan 8.290 nan 0.000 0.518 420 V N 2.120 122.079 119.914 0.076 0.000 2.525 420 V HA 0.736 4.856 4.120 -0.000 0.000 0.299 420 V C 0.723 176.867 176.094 0.083 0.000 1.034 420 V CA -0.157 62.205 62.300 0.103 0.000 0.863 420 V CB 1.528 33.405 31.823 0.090 0.000 0.999 420 V HN 0.528 nan 8.190 nan 0.000 0.423 421 I N 4.178 124.803 120.570 0.092 0.000 5.513 421 I HA 0.329 4.499 4.170 -0.000 0.000 0.233 421 I C 1.139 177.298 176.117 0.070 0.000 0.920 421 I CA -0.061 61.287 61.300 0.080 0.000 1.843 421 I CB 0.344 38.391 38.000 0.078 0.000 1.466 421 I HN 0.827 nan 8.210 nan 0.000 0.469 422 N N 2.722 121.458 118.700 0.060 0.000 2.712 422 N HA -0.143 4.597 4.740 -0.000 0.000 0.263 422 N C -0.576 174.963 175.510 0.049 0.000 0.954 422 N CA 0.775 53.854 53.050 0.048 0.000 0.812 422 N CB -0.705 37.811 38.487 0.048 0.000 0.912 422 N HN 0.504 nan 8.380 nan 0.000 0.551 423 T N 0.139 114.724 114.554 0.051 0.000 2.751 423 T HA 0.091 4.441 4.350 -0.000 0.000 0.279 423 T C 0.355 175.079 174.700 0.040 0.000 0.941 423 T CA 0.105 62.234 62.100 0.050 0.000 1.192 423 T CB 0.453 69.355 68.868 0.057 0.000 0.883 423 T HN 0.151 nan 8.240 nan 0.000 0.534 424 E N 2.554 122.776 120.200 0.036 0.000 2.115 424 E HA 0.258 4.608 4.350 -0.000 0.000 0.282 424 E C -0.170 176.446 176.600 0.027 0.000 0.987 424 E CA -0.667 55.750 56.400 0.028 0.000 0.797 424 E CB 0.777 30.492 29.700 0.025 0.000 1.086 424 E HN 0.528 nan 8.360 nan 0.000 0.397 425 T N 4.319 118.888 114.554 0.025 0.000 2.769 425 T HA 0.307 4.657 4.350 -0.000 0.000 0.293 425 T C 0.064 174.776 174.700 0.021 0.000 0.931 425 T CA -0.091 62.025 62.100 0.026 0.000 1.139 425 T CB -0.030 68.852 68.868 0.025 0.000 0.881 425 T HN 0.254 nan 8.240 nan 0.000 0.532 426 L N 2.194 123.432 121.223 0.024 0.000 2.322 426 L HA 0.739 5.079 4.340 -0.000 0.000 0.252 426 L C -0.006 176.880 176.870 0.027 0.000 1.055 426 L CA -1.141 53.711 54.840 0.019 0.000 0.849 426 L CB 2.468 44.534 42.059 0.013 0.000 1.446 426 L HN 0.497 nan 8.230 nan 0.000 0.416 427 T N -1.175 113.392 114.554 0.022 0.000 2.903 427 T HA 0.391 4.741 4.350 -0.000 0.000 0.299 427 T C -0.330 174.385 174.700 0.025 0.000 1.093 427 T CA -0.909 61.209 62.100 0.030 0.000 1.002 427 T CB 2.291 71.175 68.868 0.027 0.000 1.127 427 T HN 0.336 nan 8.240 nan 0.000 0.488 428 K N 0.363 120.782 120.400 0.032 0.000 2.218 428 K HA 0.445 4.765 4.320 -0.000 0.000 0.247 428 K C -0.347 176.261 176.600 0.014 0.000 1.097 428 K CA 0.059 56.356 56.287 0.017 0.000 0.781 428 K CB 0.044 32.533 32.500 -0.018 0.000 1.071 428 K HN 0.321 nan 8.250 nan 0.000 0.526 429 V N -0.938 118.985 119.914 0.016 0.000 3.279 429 V HA 0.265 4.385 4.120 -0.000 0.000 0.281 429 V C -1.768 174.375 176.094 0.082 0.000 1.601 429 V CA -1.017 61.325 62.300 0.071 0.000 1.044 429 V CB 2.334 34.217 31.823 0.100 0.000 1.205 429 V HN 0.673 nan 8.190 nan 0.000 0.464 430 K N 2.565 123.052 120.400 0.146 0.000 2.513 430 K HA 0.552 4.872 4.320 -0.000 0.000 0.251 430 K C -2.220 174.418 176.600 0.062 0.000 0.939 430 K CA -1.524 54.809 56.287 0.078 0.000 0.793 430 K CB 2.936 35.432 32.500 -0.007 0.000 1.241 430 K HN 0.391 nan 8.250 nan 0.000 0.431 431 P HA -0.133 nan 4.420 nan 0.000 0.214 431 P C 0.210 177.280 177.300 -0.384 0.000 1.167 431 P CA 0.897 63.784 63.100 -0.355 0.000 0.882 431 P CB 0.293 31.891 31.700 -0.169 0.000 0.777 432 K N -1.551 118.725 120.400 -0.207 0.000 8.153 432 K HA -0.229 4.091 4.320 -0.000 0.000 0.389 432 K C -0.483 175.994 176.600 -0.205 0.000 0.556 432 K CA 3.265 59.450 56.287 -0.169 0.000 1.356 432 K CB -2.422 29.988 32.500 -0.150 0.000 0.798 432 K HN 0.307 nan 8.250 nan 0.000 1.027 433 T N -1.485 112.919 114.554 -0.250 0.000 2.183 433 T HA -0.096 4.254 4.350 -0.000 0.000 0.552 433 T C 0.596 175.206 174.700 -0.150 0.000 0.866 433 T CA 0.856 62.812 62.100 -0.240 0.000 2.936 433 T CB -1.443 67.243 68.868 -0.303 0.000 1.770 433 T HN 0.761 nan 8.240 nan 0.000 0.456 434 G N 1.946 110.676 108.800 -0.116 0.000 2.471 434 G HA2 0.015 3.975 3.960 -0.000 0.000 0.219 434 G HA3 0.015 3.975 3.960 -0.000 0.000 0.219 434 G C 1.010 175.865 174.900 -0.075 0.000 1.125 434 G CA 1.231 46.283 45.100 -0.081 0.000 0.775 434 G HN 0.940 nan 8.290 nan 0.000 0.548 435 Q N -0.543 119.204 119.800 -0.089 0.000 3.081 435 Q HA 0.381 4.721 4.340 -0.000 0.000 0.207 435 Q C -0.580 175.366 176.000 -0.089 0.000 1.170 435 Q CA -0.398 55.361 55.803 -0.074 0.000 0.327 435 Q CB 0.475 29.177 28.738 -0.061 0.000 5.799 435 Q HN 0.103 nan 8.270 nan 0.000 0.306 436 E N 0.688 120.838 120.200 -0.084 0.000 2.199 436 E HA 0.360 4.710 4.350 -0.000 0.000 0.265 436 E C -0.699 175.836 176.600 -0.109 0.000 0.882 436 E CA -0.325 56.026 56.400 -0.081 0.000 0.759 436 E CB 0.999 30.678 29.700 -0.035 0.000 1.148 436 E HN 0.548 nan 8.360 nan 0.000 0.412 437 N N 1.857 120.454 118.700 -0.170 0.000 3.859 437 N HA -0.248 4.492 4.740 -0.000 0.000 0.239 437 N C 0.808 175.792 175.510 -0.876 0.000 0.310 437 N CA 1.518 54.417 53.050 -0.251 0.000 2.855 437 N CB -1.480 37.024 38.487 0.028 0.000 1.509 437 N HN 0.798 nan 8.380 nan 0.000 0.296 438 G N 0.447 108.841 108.800 -0.676 0.000 2.669 438 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.250 438 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.250 438 G C -1.425 173.055 174.900 -0.700 0.000 1.247 438 G CA 0.951 45.625 45.100 -0.711 0.000 0.958 438 G HN 1.297 nan 8.290 nan 0.000 0.559 439 W N -0.101 121.190 121.300 -0.015 0.000 3.080 439 W HA 0.161 4.821 4.660 -0.000 0.000 0.461 439 W C 0.182 176.690 176.519 -0.018 0.000 1.829 439 W CA 0.197 57.532 57.345 -0.016 0.000 0.461 439 W CB -1.367 28.086 29.460 -0.012 0.000 2.860 439 W HN 0.931 nan 8.180 nan 0.000 0.420 440 E N 1.003 121.298 120.200 0.158 0.000 3.260 440 E HA 0.505 4.855 4.350 -0.000 0.000 0.236 440 E C 0.193 176.828 176.600 0.058 0.000 1.120 440 E CA -0.043 56.403 56.400 0.076 0.000 0.889 440 E CB 1.417 31.124 29.700 0.013 0.000 3.210 440 E HN 0.232 nan 8.360 nan 0.000 0.577 441 K N -0.243 120.166 120.400 0.015 0.000 2.872 441 K HA 0.182 4.502 4.320 -0.000 0.000 0.291 441 K C -2.149 174.400 176.600 -0.085 0.000 1.000 441 K CA -0.318 55.956 56.287 -0.021 0.000 0.750 441 K CB 1.295 33.787 32.500 -0.014 0.000 1.415 441 K HN 0.199 nan 8.250 nan 0.000 0.361 442 D N -0.421 119.884 120.400 -0.157 0.000 2.493 442 D HA 0.747 5.387 4.640 -0.000 0.000 0.239 442 D C -1.306 174.844 176.300 -0.250 0.000 1.049 442 D CA -0.381 53.443 54.000 -0.293 0.000 1.008 442 D CB 2.163 42.611 40.800 -0.586 0.000 1.398 442 D HN 0.672 nan 8.370 nan 0.000 0.513 447 S N -0.589 115.263 115.700 0.253 0.000 3.629 447 S HA 0.498 4.968 4.470 -0.000 0.000 0.319 447 S C -1.832 172.830 174.600 0.102 0.000 1.149 447 S CA -0.210 58.062 58.200 0.119 0.000 1.099 447 S CB 2.048 65.283 63.200 0.057 0.000 1.433 447 S HN 0.551 nan 8.310 nan 0.000 0.736 448 D N 0.818 121.258 120.400 0.065 0.000 2.449 448 D HA 0.418 5.058 4.640 -0.000 0.000 0.250 448 D C -1.132 175.196 176.300 0.048 0.000 1.050 448 D CA -0.370 53.663 54.000 0.055 0.000 1.024 448 D CB 0.555 41.379 40.800 0.040 0.000 1.218 448 D HN 0.344 nan 8.370 nan 0.000 0.566 449 K N 0.509 120.935 120.400 0.043 0.000 6.402 449 K HA -0.127 4.193 4.320 -0.000 0.000 0.650 449 K C -1.403 175.225 176.600 0.046 0.000 1.670 449 K CA 0.141 56.451 56.287 0.039 0.000 1.619 449 K CB -1.182 31.337 32.500 0.032 0.000 1.825 449 K HN 0.628 nan 8.250 nan 0.000 0.338 450 N N 3.516 122.245 118.700 0.048 0.000 2.569 450 N HA 0.166 4.906 4.740 -0.000 0.000 0.254 450 N C 0.284 175.821 175.510 0.045 0.000 1.004 450 N CA -0.389 52.692 53.050 0.053 0.000 0.904 450 N CB 1.618 40.143 38.487 0.064 0.000 1.165 450 N HN 0.482 nan 8.380 nan 0.000 0.513 451 E N 1.783 122.010 120.200 0.045 0.000 3.388 451 E HA 0.565 4.915 4.350 -0.000 0.000 0.402 451 E C -0.107 176.519 176.600 0.042 0.000 0.387 451 E CA -0.187 56.239 56.400 0.043 0.000 2.276 451 E CB 0.650 30.379 29.700 0.049 0.000 2.207 451 E HN 0.438 nan 8.360 nan 0.000 0.469 452 I N -1.302 119.296 120.570 0.046 0.000 2.747 452 I HA -0.176 3.994 4.170 -0.000 0.000 0.310 452 I C -0.906 175.236 176.117 0.042 0.000 3.133 452 I CA -0.157 61.168 61.300 0.042 0.000 1.136 452 I CB -0.235 37.785 38.000 0.035 0.000 2.703 452 I HN 0.344 nan 8.210 nan 0.000 0.679 453 R N 2.268 122.791 120.500 0.039 0.000 2.502 453 R HA 0.754 5.094 4.340 -0.000 0.000 0.298 453 R C -1.816 174.507 176.300 0.038 0.000 1.018 453 R CA -0.607 55.519 56.100 0.044 0.000 0.899 453 R CB 1.751 32.084 30.300 0.055 0.000 1.181 453 R HN 0.392 nan 8.270 nan 0.000 0.444 454 V N 4.309 124.247 119.914 0.040 0.000 2.607 454 V HA 0.858 4.978 4.120 -0.000 0.000 0.289 454 V C 1.004 177.134 176.094 0.060 0.000 1.053 454 V CA 0.637 62.958 62.300 0.036 0.000 0.996 454 V CB 0.870 32.710 31.823 0.028 0.000 0.995 454 V HN 1.109 nan 8.190 nan 0.000 0.476 455 G N 3.626 112.453 108.800 0.046 0.000 2.373 455 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.634 455 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.634 455 G C -1.150 173.747 174.900 -0.005 0.000 1.267 455 G CA -0.426 44.714 45.100 0.067 0.000 1.008 455 G HN 0.848 nan 8.290 nan 0.000 0.497 456 N N 0.105 118.746 118.700 -0.098 0.000 2.384 456 N HA 0.577 5.317 4.740 -0.000 0.000 0.301 456 N C 0.502 175.844 175.510 -0.281 0.000 1.133 456 N CA -0.186 52.729 53.050 -0.224 0.000 0.853 456 N CB 0.875 39.168 38.487 -0.324 0.000 1.241 456 N HN 0.941 nan 8.380 nan 0.000 0.502 457 N N 0.441 119.026 118.700 -0.191 0.000 2.239 457 N HA 0.066 4.806 4.740 -0.000 0.000 0.225 457 N C -0.987 174.470 175.510 -0.088 0.000 1.283 457 N CA 0.643 53.670 53.050 -0.039 0.000 0.868 457 N CB 0.233 38.663 38.487 -0.095 0.000 1.098 457 N HN 0.347 nan 8.380 nan 0.000 0.436 458 F N -1.826 118.266 119.950 0.237 0.000 2.675 458 F HA 0.818 5.345 4.527 -0.000 0.000 0.324 458 F C 0.446 176.281 175.800 0.060 0.000 1.106 458 F CA -0.445 57.657 58.000 0.171 0.000 0.970 458 F CB 1.729 40.771 39.000 0.070 0.000 1.385 458 F HN 0.772 nan 8.300 nan 0.000 0.489 459 A N 0.706 123.584 122.820 0.097 0.000 3.742 459 A HA 0.864 5.184 4.320 -0.000 0.000 0.282 459 A C -1.823 175.711 177.584 -0.084 0.000 1.117 459 A CA -0.700 51.159 52.037 -0.297 0.000 0.624 459 A CB 1.604 19.965 19.000 -1.065 0.000 1.548 459 A HN 0.648 nan 8.150 nan 0.000 0.723 460 M N 1.198 120.725 119.600 -0.121 0.000 2.215 460 M HA 0.268 4.748 4.480 -0.000 0.000 0.251 460 M C -0.724 175.515 176.300 -0.103 0.000 0.987 460 M CA -0.102 55.154 55.300 -0.073 0.000 1.025 460 M CB 1.611 34.160 32.600 -0.085 0.000 2.064 460 M HN 0.924 nan 8.290 nan 0.000 0.473 461 E N 3.133 123.259 120.200 -0.124 0.000 2.410 461 E HA 0.532 4.882 4.350 -0.000 0.000 0.255 461 E C -1.030 175.450 176.600 -0.198 0.000 1.194 461 E CA -0.131 56.120 56.400 -0.248 0.000 0.955 461 E CB 1.199 30.712 29.700 -0.312 0.000 0.988 461 E HN 0.662 nan 8.360 nan 0.000 0.461 462 I N 2.179 122.627 120.570 -0.203 0.000 2.763 462 I HA 0.185 4.355 4.170 -0.000 0.000 0.279 462 I C -1.274 174.766 176.117 -0.128 0.000 1.495 462 I CA -0.669 60.539 61.300 -0.152 0.000 1.125 462 I CB 0.680 38.612 38.000 -0.113 0.000 1.467 462 I HN 0.483 nan 8.210 nan 0.000 0.423 463 N N 5.419 124.054 118.700 -0.109 0.000 2.262 463 N HA 0.448 5.188 4.740 -0.000 0.000 0.260 463 N C 0.555 176.027 175.510 -0.063 0.000 1.305 463 N CA 0.515 53.514 53.050 -0.085 0.000 0.913 463 N CB 0.493 38.944 38.487 -0.061 0.000 1.116 463 N HN 0.747 nan 8.380 nan 0.000 0.512 464 L N -1.736 119.447 121.223 -0.066 0.000 3.534 464 L HA 0.468 4.808 4.340 -0.000 0.000 0.174 464 L C 0.930 177.764 176.870 -0.061 0.000 1.215 464 L CA -0.322 54.481 54.840 -0.060 0.000 0.857 464 L CB -0.717 41.295 42.059 -0.079 0.000 1.502 464 L HN 0.066 nan 8.230 nan 0.000 0.614 465 N N 1.451 120.069 118.700 -0.138 0.000 2.786 465 N HA -0.032 4.708 4.740 -0.000 0.000 0.201 465 N C 0.920 176.375 175.510 -0.093 0.000 1.405 465 N CA 1.089 54.004 53.050 -0.225 0.000 0.959 465 N CB 0.019 38.223 38.487 -0.471 0.000 1.092 465 N HN 0.568 nan 8.380 nan 0.000 0.449 466 A N -1.285 121.546 122.820 0.019 0.000 2.419 466 A HA 0.237 4.557 4.320 -0.000 0.000 0.233 466 A C 1.666 179.344 177.584 0.157 0.000 1.217 466 A CA -0.120 51.991 52.037 0.122 0.000 0.944 466 A CB 0.413 19.460 19.000 0.078 0.000 1.025 466 A HN 0.156 nan 8.150 nan 0.000 0.524 467 N N -0.490 118.282 118.700 0.121 0.000 2.294 467 N HA 0.044 4.784 4.740 -0.000 0.000 0.186 467 N C 1.387 176.987 175.510 0.150 0.000 1.107 467 N CA 0.866 53.989 53.050 0.122 0.000 0.884 467 N CB 0.711 39.244 38.487 0.075 0.000 1.030 467 N HN 0.500 nan 8.380 nan 0.000 0.482 468 L N -2.035 119.283 121.223 0.159 0.000 2.408 468 L HA 0.325 4.665 4.340 -0.000 0.000 0.215 468 L C 1.852 178.953 176.870 0.385 0.000 1.081 468 L CA 0.770 55.717 54.840 0.178 0.000 0.840 468 L CB -0.586 41.486 42.059 0.022 0.000 1.002 468 L HN 0.078 nan 8.230 nan 0.000 0.468 469 W N 1.750 123.067 121.300 0.029 0.000 2.519 469 W HA -0.091 4.569 4.660 -0.000 0.000 0.313 469 W C 2.704 179.293 176.519 0.116 0.000 1.156 469 W CA 0.809 58.204 57.345 0.084 0.000 1.394 469 W CB 0.092 29.564 29.460 0.021 0.000 1.154 469 W HN 0.216 nan 8.180 nan 0.000 0.498 470 R N 0.901 121.581 120.500 0.299 0.000 2.226 470 R HA -0.243 4.097 4.340 -0.000 0.000 0.246 470 R C 1.322 177.738 176.300 0.193 0.000 1.161 470 R CA 2.214 58.420 56.100 0.177 0.000 0.997 470 R CB -0.813 29.589 30.300 0.169 0.000 0.870 470 R HN 0.228 nan 8.270 nan 0.000 0.465 471 N N -0.735 118.092 118.700 0.212 0.000 2.349 471 N HA 0.063 4.803 4.740 -0.000 0.000 0.180 471 N C 1.243 176.860 175.510 0.178 0.000 1.024 471 N CA 0.481 53.641 53.050 0.184 0.000 0.869 471 N CB -0.070 38.536 38.487 0.199 0.000 1.022 471 N HN 0.124 nan 8.380 nan 0.000 0.433 472 F N 0.579 120.526 119.950 -0.005 0.000 2.307 472 F HA -0.102 4.425 4.527 -0.000 0.000 0.301 472 F C 1.068 176.718 175.800 -0.249 0.000 1.076 472 F CA 0.742 58.669 58.000 -0.121 0.000 1.383 472 F CB 0.296 39.218 39.000 -0.131 0.000 1.055 472 F HN 0.099 nan 8.300 nan 0.000 0.526 473 L N -3.045 118.118 121.223 -0.100 0.000 2.500 473 L HA -0.009 4.331 4.340 -0.000 0.000 0.219 473 L C 1.501 178.347 176.870 -0.039 0.000 1.057 473 L CA 0.305 55.045 54.840 -0.168 0.000 0.854 473 L CB -0.742 41.182 42.059 -0.224 0.000 1.078 473 L HN -0.063 nan 8.230 nan 0.000 0.480 474 Y N 0.745 120.956 120.300 -0.148 0.000 2.524 474 Y HA 0.066 4.616 4.550 -0.000 0.000 0.270 474 Y C 2.622 178.402 175.900 -0.199 0.000 1.094 474 Y CA 0.157 58.160 58.100 -0.161 0.000 1.276 474 Y CB 0.024 38.419 38.460 -0.109 0.000 1.130 474 Y HN 0.218 nan 8.280 nan 0.000 0.536 475 S N -0.425 115.147 115.700 -0.213 0.000 2.336 475 S HA -0.099 4.371 4.470 -0.000 0.000 0.216 475 S C 1.763 176.131 174.600 -0.386 0.000 1.032 475 S CA 0.754 58.764 58.200 -0.316 0.000 0.973 475 S CB -0.682 62.441 63.200 -0.127 0.000 0.888 475 S HN 0.386 nan 8.310 nan 0.000 0.455 476 N N 1.853 120.385 118.700 -0.279 0.000 2.038 476 N HA -0.043 4.697 4.740 -0.000 0.000 0.189 476 N C 1.793 177.123 175.510 -0.300 0.000 1.151 476 N CA 1.555 54.478 53.050 -0.211 0.000 0.964 476 N CB -0.388 37.925 38.487 -0.290 0.000 1.031 476 N HN 0.383 nan 8.380 nan 0.000 0.423 477 I N 0.542 120.953 120.570 -0.265 0.000 2.367 477 I HA -0.223 3.947 4.170 -0.000 0.000 0.256 477 I C 2.164 178.137 176.117 -0.240 0.000 1.132 477 I CA 1.204 62.344 61.300 -0.267 0.000 1.397 477 I CB -1.318 36.520 38.000 -0.270 0.000 1.074 477 I HN 0.226 nan 8.210 nan 0.000 0.435 478 A N 1.192 123.854 122.820 -0.263 0.000 1.843 478 A HA 0.072 4.392 4.320 -0.000 0.000 0.213 478 A C 2.271 179.691 177.584 -0.274 0.000 1.202 478 A CA 1.202 53.153 52.037 -0.144 0.000 0.607 478 A CB -1.006 18.076 19.000 0.137 0.000 0.847 478 A HN 0.416 nan 8.150 nan 0.000 0.445 479 L N -0.887 119.971 121.223 -0.610 0.000 1.978 479 L HA -0.270 4.070 4.340 -0.000 0.000 0.235 479 L C 1.467 178.056 176.870 -0.468 0.000 1.094 479 L CA 1.783 56.207 54.840 -0.694 0.000 0.814 479 L CB -1.114 40.347 42.059 -0.996 0.000 0.911 479 L HN 0.680 nan 8.230 nan 0.000 0.442 480 Y N 0.357 120.583 120.300 -0.124 0.000 2.990 480 Y HA 0.300 4.850 4.550 -0.000 0.000 0.360 480 Y C 0.255 176.105 175.900 -0.083 0.000 1.130 480 Y CA -0.370 57.674 58.100 -0.093 0.000 2.047 480 Y CB -1.227 37.185 38.460 -0.079 0.000 2.189 480 Y HN 0.069 nan 8.280 nan 0.000 0.406 481 L N 2.315 123.529 121.223 -0.014 0.000 2.313 481 L HA 0.511 4.851 4.340 -0.000 0.000 0.268 481 L C -1.933 174.929 176.870 -0.015 0.000 1.010 481 L CA -2.397 52.436 54.840 -0.012 0.000 0.814 481 L CB 1.648 43.685 42.059 -0.037 0.000 1.304 481 L HN 0.154 nan 8.230 nan 0.000 0.441 482 P HA -0.178 nan 4.420 nan 0.000 0.264 482 P C -0.403 176.869 177.300 -0.047 0.000 1.139 482 P CA 0.681 63.765 63.100 -0.028 0.000 0.754 482 P CB 0.416 32.086 31.700 -0.051 0.000 0.737 483 D N 2.451 122.835 120.400 -0.026 0.000 2.424 483 D HA -0.011 4.629 4.640 -0.000 0.000 0.220 483 D C 0.610 176.894 176.300 -0.026 0.000 1.150 483 D CA -0.119 53.861 54.000 -0.032 0.000 0.831 483 D CB 0.256 41.081 40.800 0.041 0.000 0.981 483 D HN 0.173 nan 8.370 nan 0.000 0.500 484 K N 0.431 120.804 120.400 -0.045 0.000 2.643 484 K HA 0.026 4.346 4.320 -0.000 0.000 0.193 484 K C 0.602 177.179 176.600 -0.038 0.000 1.027 484 K CA 0.216 56.474 56.287 -0.049 0.000 1.033 484 K CB 0.559 32.995 32.500 -0.106 0.000 0.827 484 K HN 0.275 nan 8.250 nan 0.000 0.500 485 L N 0.006 121.203 121.223 -0.043 0.000 2.662 485 L HA 0.139 4.479 4.340 -0.000 0.000 0.237 485 L C -1.375 175.423 176.870 -0.120 0.000 1.158 485 L CA -0.137 54.692 54.840 -0.018 0.000 1.000 485 L CB 0.429 42.499 42.059 0.019 0.000 1.182 485 L HN -0.128 nan 8.230 nan 0.000 0.598 486 K N 0.823 121.106 120.400 -0.195 0.000 2.395 486 K HA 0.755 5.075 4.320 -0.000 0.000 0.245 486 K C -1.728 174.648 176.600 -0.372 0.000 1.017 486 K CA -0.564 55.405 56.287 -0.530 0.000 0.852 486 K CB 2.199 34.470 32.500 -0.381 0.000 1.311 486 K HN 0.236 nan 8.250 nan 0.000 0.452 487 Y N -0.687 119.552 120.300 -0.102 0.000 2.391 487 Y HA 0.355 4.905 4.550 -0.000 0.000 0.341 487 Y C 0.150 175.974 175.900 -0.127 0.000 0.965 487 Y CA -1.410 56.627 58.100 -0.104 0.000 1.067 487 Y CB 1.402 39.809 38.460 -0.088 0.000 1.199 487 Y HN 0.484 nan 8.280 nan 0.000 0.450 488 S N 2.354 118.048 115.700 -0.011 0.000 2.612 488 S HA 0.230 4.700 4.470 -0.000 0.000 0.253 488 S C -1.942 172.656 174.600 -0.004 0.000 1.346 488 S CA -0.710 57.451 58.200 -0.064 0.000 0.976 488 S CB 0.161 63.324 63.200 -0.063 0.000 0.949 488 S HN 0.565 nan 8.310 nan 0.000 0.584 489 P HA 0.372 nan 4.420 nan 0.000 0.224 489 P C -0.398 176.923 177.300 0.034 0.000 1.190 489 P CA -0.206 62.904 63.100 0.016 0.000 0.644 489 P CB 0.004 31.717 31.700 0.021 0.000 0.895 490 S N -2.724 113.005 115.700 0.049 0.000 2.858 490 S HA 0.215 4.685 4.470 -0.000 0.000 0.286 490 S C -0.589 174.049 174.600 0.064 0.000 0.807 490 S CA -0.035 58.202 58.200 0.062 0.000 0.800 490 S CB -0.621 62.631 63.200 0.087 0.000 1.005 490 S HN 0.464 nan 8.310 nan 0.000 0.520 491 N N -1.285 117.436 118.700 0.034 0.000 2.924 491 N HA -0.212 4.528 4.740 -0.000 0.000 0.210 491 N C 0.029 175.534 175.510 -0.010 0.000 0.902 491 N CA 2.014 55.061 53.050 -0.004 0.000 1.061 491 N CB -1.377 37.077 38.487 -0.055 0.000 0.985 491 N HN 0.792 nan 8.380 nan 0.000 0.600 492 V N -2.090 117.829 119.914 0.009 0.000 3.211 492 V HA 0.642 4.761 4.120 -0.000 0.000 0.319 492 V C 0.705 176.810 176.094 0.019 0.000 1.096 492 V CA -0.998 61.310 62.300 0.013 0.000 1.029 492 V CB 1.770 33.608 31.823 0.024 0.000 1.137 492 V HN -0.081 nan 8.190 nan 0.000 0.453 493 K N 0.902 121.316 120.400 0.024 0.000 2.110 493 K HA 0.618 4.938 4.320 -0.000 0.000 0.263 493 K C -0.569 176.052 176.600 0.035 0.000 0.975 493 K CA -0.472 55.832 56.287 0.027 0.000 0.895 493 K CB 2.542 35.058 32.500 0.027 0.000 1.060 493 K HN 0.666 nan 8.250 nan 0.000 0.448 494 I N -0.150 120.442 120.570 0.038 0.000 3.078 494 I HA 0.105 4.275 4.170 -0.000 0.000 0.318 494 I C 0.201 176.360 176.117 0.071 0.000 1.016 494 I CA -0.175 61.155 61.300 0.050 0.000 1.130 494 I CB 1.588 39.615 38.000 0.045 0.000 1.397 494 I HN 0.432 nan 8.210 nan 0.000 0.570 495 S N 1.243 117.007 115.700 0.107 0.000 2.472 495 S HA 0.265 4.735 4.470 -0.000 0.000 0.303 495 S C -0.022 174.649 174.600 0.118 0.000 1.099 495 S CA -0.530 57.745 58.200 0.126 0.000 1.077 495 S CB 1.330 64.652 63.200 0.203 0.000 1.031 495 S HN 0.629 nan 8.310 nan 0.000 0.487 496 D N 2.352 122.800 120.400 0.080 0.000 2.216 496 D HA 0.109 4.749 4.640 -0.000 0.000 0.208 496 D C 0.298 176.633 176.300 0.058 0.000 0.960 496 D CA 0.655 54.694 54.000 0.066 0.000 0.861 496 D CB 0.141 40.969 40.800 0.045 0.000 0.985 496 D HN 0.516 nan 8.370 nan 0.000 0.493 497 N N 0.724 119.448 118.700 0.042 0.000 2.488 497 N HA 0.107 4.847 4.740 -0.000 0.000 0.274 497 N C -1.975 173.505 175.510 -0.050 0.000 1.111 497 N CA -1.599 51.455 53.050 0.006 0.000 0.974 497 N CB 1.038 39.524 38.487 -0.001 0.000 1.089 497 N HN -0.178 nan 8.380 nan 0.000 0.465 498 P HA -0.175 nan 4.420 nan 0.000 0.222 498 P C 0.726 177.672 177.300 -0.591 0.000 1.242 498 P CA 0.355 63.296 63.100 -0.265 0.000 0.833 498 P CB 0.086 31.705 31.700 -0.135 0.000 0.639 499 N N -1.033 117.367 118.700 -0.500 0.000 1.870 499 N HA -0.248 4.492 4.740 -0.000 0.000 0.142 499 N C 0.729 176.011 175.510 -0.381 0.000 0.637 499 N CA 2.175 54.959 53.050 -0.444 0.000 0.828 499 N CB -1.582 36.819 38.487 -0.143 0.000 0.846 499 N HN 0.591 nan 8.380 nan 0.000 1.221 500 T N -2.091 112.363 114.554 -0.165 0.000 1.831 500 T HA -0.325 4.025 4.350 -0.000 0.000 0.507 500 T C 0.920 175.640 174.700 0.034 0.000 0.920 500 T CA 1.337 63.420 62.100 -0.029 0.000 2.469 500 T CB -0.610 68.265 68.868 0.012 0.000 1.523 500 T HN 0.279 nan 8.240 nan 0.000 0.394 501 Y N 2.297 122.589 120.300 -0.013 0.000 2.118 501 Y HA -0.131 4.419 4.550 -0.000 0.000 0.260 501 Y C 2.477 178.403 175.900 0.044 0.000 1.087 501 Y CA 2.600 60.698 58.100 -0.003 0.000 1.075 501 Y CB -0.703 37.736 38.460 -0.034 0.000 0.995 501 Y HN 0.911 nan 8.280 nan 0.000 0.475 502 D N -0.621 119.922 120.400 0.238 0.000 2.866 502 D HA -0.445 4.195 4.640 -0.000 0.000 0.362 502 D C 1.586 177.961 176.300 0.124 0.000 1.109 502 D CA 2.146 56.237 54.000 0.152 0.000 1.179 502 D CB -1.691 39.195 40.800 0.143 0.000 1.317 502 D HN 0.457 nan 8.370 nan 0.000 0.500 503 Y N 1.919 122.219 120.300 -0.001 0.000 1.327 503 Y HA -0.469 4.081 4.550 0.000 0.000 0.083 503 Y C 2.604 178.477 175.900 -0.046 0.000 0.593 503 Y CA 3.065 61.155 58.100 -0.017 0.000 0.246 503 Y CB -0.781 37.670 38.460 -0.015 0.000 0.529 503 Y HN 0.291 nan 8.280 nan 0.000 0.819 504 M N 0.488 120.236 119.600 0.246 0.000 2.221 504 M HA -0.436 4.044 4.480 -0.000 0.000 0.247 504 M C 1.463 177.740 176.300 -0.037 0.000 1.077 504 M CA 3.118 58.460 55.300 0.069 0.000 1.064 504 M CB -1.805 30.872 32.600 0.129 0.000 1.325 504 M HN 0.703 nan 8.290 nan 0.000 0.405 505 N N 0.515 119.182 118.700 -0.055 0.000 2.192 505 N HA -0.135 4.605 4.740 -0.000 0.000 0.188 505 N C 1.474 176.982 175.510 -0.004 0.000 1.013 505 N CA 2.169 55.188 53.050 -0.051 0.000 0.863 505 N CB -0.141 38.282 38.487 -0.105 0.000 0.990 505 N HN 0.537 nan 8.380 nan 0.000 0.430 506 K N -0.208 120.180 120.400 -0.021 0.000 2.190 506 K HA 0.195 4.515 4.320 -0.000 0.000 0.202 506 K C 0.280 176.826 176.600 -0.090 0.000 1.045 506 K CA 0.200 56.475 56.287 -0.020 0.000 0.976 506 K CB 0.199 32.700 32.500 0.002 0.000 0.849 506 K HN -0.017 nan 8.250 nan 0.000 0.468 507 R N 1.513 121.907 120.500 -0.176 0.000 2.446 507 R HA 0.059 4.399 4.340 -0.000 0.000 0.314 507 R C -0.378 175.794 176.300 -0.214 0.000 1.003 507 R CA 0.187 56.145 56.100 -0.238 0.000 1.018 507 R CB 0.154 30.215 30.300 -0.399 0.000 0.945 507 R HN -0.034 nan 8.270 nan 0.000 0.419 508 V N 3.582 123.368 119.914 -0.213 0.000 3.204 508 V HA 0.399 4.519 4.120 -0.000 0.000 0.316 508 V C 0.346 176.215 176.094 -0.375 0.000 1.160 508 V CA -0.293 61.881 62.300 -0.210 0.000 1.044 508 V CB 2.116 33.875 31.823 -0.106 0.000 1.136 508 V HN 0.591 nan 8.190 nan 0.000 0.455 509 V N 0.490 120.267 119.914 -0.228 0.000 3.889 509 V HA 0.917 5.037 4.120 -0.000 0.000 0.184 509 V C -0.015 176.089 176.094 0.015 0.000 1.311 509 V CA 1.024 63.193 62.300 -0.219 0.000 1.277 509 V CB 0.947 32.634 31.823 -0.227 0.000 1.364 509 V HN 2.013 nan 8.190 nan 0.000 0.567 510 A N -0.030 122.798 122.820 0.013 0.000 2.550 510 A HA 0.744 5.064 4.320 -0.000 0.000 0.295 510 A C -2.965 174.568 177.584 -0.084 0.000 1.001 510 A CA -0.011 52.026 52.037 0.000 0.000 0.660 510 A CB 0.171 19.163 19.000 -0.013 0.000 1.308 510 A HN 0.284 nan 8.150 nan 0.000 0.426 511 P HA 0.161 nan 4.420 nan 0.000 0.203 511 P C 1.745 178.616 177.300 -0.714 0.000 1.206 511 P CA 1.920 64.645 63.100 -0.624 0.000 0.896 511 P CB -0.172 31.476 31.700 -0.087 0.000 0.728 512 G N 0.640 109.280 108.800 -0.268 0.000 2.681 512 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.224 512 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.224 512 G C 1.347 175.914 174.900 -0.556 0.000 1.100 512 G CA 0.924 45.938 45.100 -0.143 0.000 0.743 512 G HN 0.218 nan 8.290 nan 0.000 0.612 513 L N 0.090 121.097 121.223 -0.361 0.000 2.814 513 L HA 0.128 4.468 4.340 -0.000 0.000 0.248 513 L C -0.012 176.583 176.870 -0.459 0.000 1.169 513 L CA 0.534 55.168 54.840 -0.343 0.000 0.872 513 L CB 0.283 42.228 42.059 -0.191 0.000 1.029 513 L HN 0.038 nan 8.230 nan 0.000 0.452 514 V N -1.401 118.133 119.914 -0.633 0.000 2.881 514 V HA 0.333 4.453 4.120 -0.000 0.000 0.254 514 V C -0.649 175.198 176.094 -0.410 0.000 0.880 514 V CA -0.527 61.489 62.300 -0.473 0.000 0.926 514 V CB 0.899 32.447 31.823 -0.458 0.000 1.033 514 V HN 0.051 nan 8.190 nan 0.000 0.501 515 D N 0.432 120.590 120.400 -0.403 0.000 3.798 515 D HA 0.384 5.024 4.640 -0.000 0.000 0.296 515 D C 0.663 176.919 176.300 -0.073 0.000 1.489 515 D CA -0.049 53.824 54.000 -0.212 0.000 0.988 515 D CB 1.718 42.385 40.800 -0.221 0.000 1.360 515 D HN 0.307 nan 8.370 nan 0.000 0.641 516 C N 0.357 119.700 119.300 0.072 0.000 2.865 516 C HA 0.065 4.525 4.460 -0.000 0.000 0.280 516 C C 2.130 177.220 174.990 0.167 0.000 1.255 516 C CA -0.189 58.943 59.018 0.189 0.000 1.705 516 C CB -1.063 26.842 27.740 0.274 0.000 2.080 516 C HN 0.563 nan 8.230 nan 0.000 0.591 517 Y N 0.647 120.995 120.300 0.079 0.000 2.395 517 Y HA 0.332 4.882 4.550 -0.000 0.000 0.293 517 Y C 1.154 177.107 175.900 0.088 0.000 1.123 517 Y CA 0.236 58.372 58.100 0.059 0.000 1.227 517 Y CB -0.877 37.634 38.460 0.085 0.000 1.012 517 Y HN 0.077 nan 8.280 nan 0.000 0.552 518 I N 4.293 124.857 120.570 -0.010 0.000 2.566 518 I HA -0.080 4.090 4.170 -0.000 0.000 0.286 518 I C 0.547 176.685 176.117 0.035 0.000 1.060 518 I CA 0.560 61.862 61.300 0.004 0.000 2.222 518 I CB -2.327 35.543 38.000 -0.217 0.000 1.534 518 I HN 0.557 nan 8.210 nan 0.000 0.987 519 N N 3.263 121.993 118.700 0.049 0.000 2.537 519 N HA -0.207 4.533 4.740 -0.000 0.000 0.286 519 N C -1.125 174.364 175.510 -0.035 0.000 1.245 519 N CA 0.298 53.304 53.050 -0.073 0.000 0.704 519 N CB -0.342 38.003 38.487 -0.237 0.000 0.910 519 N HN 0.492 nan 8.380 nan 0.000 0.542 520 L N 1.863 123.097 121.223 0.019 0.000 2.360 520 L HA 0.644 4.984 4.340 -0.000 0.000 0.271 520 L C 1.392 178.292 176.870 0.051 0.000 1.057 520 L CA 0.453 55.341 54.840 0.080 0.000 0.803 520 L CB 1.176 43.320 42.059 0.143 0.000 1.207 520 L HN 0.718 nan 8.230 nan 0.000 0.445 521 G N 2.821 111.676 108.800 0.093 0.000 2.288 521 G HA2 0.160 4.120 3.960 -0.000 0.000 0.205 521 G HA3 0.160 4.120 3.960 -0.000 0.000 0.205 521 G C -0.235 174.704 174.900 0.064 0.000 1.071 521 G CA -0.111 45.032 45.100 0.071 0.000 0.788 521 G HN 1.289 nan 8.290 nan 0.000 0.491 522 A N -0.169 122.717 122.820 0.109 0.000 1.943 522 A HA 0.632 4.952 4.320 -0.000 0.000 0.293 522 A C 0.126 177.842 177.584 0.220 0.000 1.143 522 A CA 0.449 52.569 52.037 0.138 0.000 0.916 522 A CB 0.092 19.137 19.000 0.075 0.000 1.297 522 A HN 1.653 nan 8.150 nan 0.000 0.372 523 R N 2.790 123.408 120.500 0.198 0.000 2.936 523 R HA 0.081 4.421 4.340 -0.000 0.000 0.361 523 R C -0.241 176.202 176.300 0.238 0.000 0.873 523 R CA 0.825 57.035 56.100 0.185 0.000 1.041 523 R CB 0.069 30.449 30.300 0.134 0.000 0.924 523 R HN 0.716 nan 8.270 nan 0.000 0.401 524 W N 3.264 124.566 121.300 0.003 0.000 2.902 524 W HA 0.398 5.058 4.660 0.000 0.000 0.346 524 W C -1.080 175.416 176.519 -0.039 0.000 1.139 524 W CA -0.745 56.592 57.345 -0.014 0.000 1.139 524 W CB 2.136 31.592 29.460 -0.008 0.000 1.439 524 W HN 0.500 nan 8.180 nan 0.000 0.558 525 S N 5.630 121.099 115.700 -0.386 0.000 2.630 525 S HA 0.240 4.710 4.470 -0.000 0.000 0.173 525 S C -0.604 173.777 174.600 -0.365 0.000 1.048 525 S CA -0.525 57.521 58.200 -0.257 0.000 1.172 525 S CB -0.657 62.415 63.200 -0.213 0.000 1.638 525 S HN 0.502 nan 8.310 nan 0.000 0.429 526 L N 1.678 122.717 121.223 -0.306 0.000 0.856 526 L HA -0.227 4.113 4.340 -0.000 0.000 0.361 526 L C 0.432 177.137 176.870 -0.276 0.000 1.033 526 L CA 1.990 56.772 54.840 -0.096 0.000 1.213 526 L CB -0.425 41.663 42.059 0.048 0.000 0.041 526 L HN 0.781 nan 8.230 nan 0.000 0.182 527 D N -0.929 119.417 120.400 -0.089 0.000 2.431 527 D HA 0.064 4.704 4.640 -0.000 0.000 0.227 527 D C 0.316 176.642 176.300 0.043 0.000 1.030 527 D CA 0.654 54.560 54.000 -0.156 0.000 0.897 527 D CB 0.079 40.779 40.800 -0.167 0.000 1.058 527 D HN 0.352 nan 8.370 nan 0.000 0.500 528 Y N 0.716 121.002 120.300 -0.023 0.000 2.915 528 Y HA 0.515 5.065 4.550 -0.000 0.000 0.350 528 Y C 0.644 176.542 175.900 -0.002 0.000 1.061 528 Y CA -0.984 57.114 58.100 -0.003 0.000 1.179 528 Y CB 0.503 38.978 38.460 0.024 0.000 1.180 528 Y HN -0.061 nan 8.280 nan 0.000 0.605 529 M N -0.510 119.162 119.600 0.120 0.000 1.529 529 M HA 0.023 4.503 4.480 -0.000 0.000 0.196 529 M C -0.550 175.782 176.300 0.053 0.000 1.007 529 M CA 0.635 55.968 55.300 0.055 0.000 0.825 529 M CB 0.432 33.048 32.600 0.026 0.000 1.711 529 M HN 0.217 nan 8.290 nan 0.000 0.646 530 D N 1.997 122.433 120.400 0.059 0.000 2.344 530 D HA 0.061 4.701 4.640 -0.000 0.000 0.242 530 D C 1.040 177.442 176.300 0.170 0.000 1.159 530 D CA 0.203 54.292 54.000 0.148 0.000 0.859 530 D CB -0.119 40.770 40.800 0.149 0.000 0.925 530 D HN 0.447 nan 8.370 nan 0.000 0.510 531 N N 0.604 119.371 118.700 0.111 0.000 2.135 531 N HA -0.101 4.639 4.740 -0.000 0.000 0.186 531 N C 1.719 177.310 175.510 0.135 0.000 1.027 531 N CA 0.882 53.984 53.050 0.087 0.000 0.849 531 N CB -0.905 37.611 38.487 0.049 0.000 1.002 531 N HN 0.280 nan 8.380 nan 0.000 0.425 532 V N 0.226 120.222 119.914 0.137 0.000 2.175 532 V HA -0.024 4.096 4.120 -0.000 0.000 0.125 532 V C 0.710 176.930 176.094 0.210 0.000 0.740 532 V CA 0.343 62.727 62.300 0.139 0.000 1.325 532 V CB -0.904 30.979 31.823 0.100 0.000 0.794 532 V HN 0.159 nan 8.190 nan 0.000 0.417 533 N N 1.009 119.808 118.700 0.165 0.000 2.446 533 N HA 0.459 5.199 4.740 -0.000 0.000 0.265 533 N C -1.575 173.980 175.510 0.075 0.000 0.975 533 N CA -2.260 50.882 53.050 0.154 0.000 0.928 533 N CB 1.540 40.116 38.487 0.149 0.000 1.160 533 N HN 0.431 nan 8.380 nan 0.000 0.495 534 P HA 0.015 nan 4.420 nan 0.000 0.220 534 P C -0.269 176.814 177.300 -0.362 0.000 1.152 534 P CA 0.881 63.785 63.100 -0.328 0.000 0.812 534 P CB 0.171 31.327 31.700 -0.907 0.000 0.792 535 F N 0.839 120.706 119.950 -0.138 0.000 2.387 535 F HA 0.422 4.949 4.527 0.000 0.000 0.332 535 F C 0.317 176.046 175.800 -0.117 0.000 1.174 535 F CA -0.488 57.429 58.000 -0.138 0.000 1.257 535 F CB 0.015 38.929 39.000 -0.143 0.000 1.569 535 F HN -0.194 nan 8.300 nan 0.000 0.554 536 N N 2.212 120.899 118.700 -0.021 0.000 2.976 536 N HA 0.155 4.895 4.740 -0.000 0.000 0.249 536 N C -0.482 174.996 175.510 -0.053 0.000 1.258 536 N CA -0.353 52.669 53.050 -0.046 0.000 0.864 536 N CB 0.808 39.326 38.487 0.051 0.000 1.551 536 N HN 0.629 nan 8.380 nan 0.000 0.607 537 H N 0.212 119.113 119.070 -0.282 0.000 5.325 537 H HA -0.006 4.550 4.556 -0.000 0.000 0.110 537 H C -0.431 174.628 175.328 -0.448 0.000 1.321 537 H CA -0.149 55.599 56.048 -0.500 0.000 0.282 537 H CB 0.929 30.293 29.762 -0.664 0.000 1.684 537 H HN 0.371 nan 8.280 nan 0.000 0.162 538 H N 1.937 120.836 119.070 -0.284 0.000 3.309 538 H HA 0.448 5.004 4.556 -0.000 0.000 0.195 538 H C 0.095 175.194 175.328 -0.381 0.000 1.202 538 H CA 0.180 56.021 56.048 -0.345 0.000 1.470 538 H CB 0.594 30.366 29.762 0.017 0.000 1.411 538 H HN 0.271 nan 8.280 nan 0.000 0.477 539 R N 2.003 122.744 120.500 0.401 0.000 2.402 539 R HA 0.066 4.406 4.340 -0.000 0.000 0.331 539 R C -0.797 175.456 176.300 -0.078 0.000 1.040 539 R CA 0.270 56.468 56.100 0.163 0.000 0.980 539 R CB -0.355 29.950 30.300 0.008 0.000 0.967 539 R HN 0.337 nan 8.270 nan 0.000 0.440 540 N N 1.223 119.856 118.700 -0.111 0.000 2.976 540 N HA 0.092 4.832 4.740 -0.000 0.000 0.220 540 N C 0.137 175.625 175.510 -0.037 0.000 1.428 540 N CA -0.034 52.955 53.050 -0.101 0.000 0.748 540 N CB 1.107 39.452 38.487 -0.236 0.000 1.484 540 N HN 0.524 nan 8.380 nan 0.000 0.578 541 A N 0.752 123.569 122.820 -0.005 0.000 2.225 541 A HA -0.092 4.228 4.320 -0.000 0.000 0.222 541 A C 1.455 178.910 177.584 -0.215 0.000 1.170 541 A CA 1.824 53.804 52.037 -0.094 0.000 0.672 541 A CB -0.385 18.628 19.000 0.021 0.000 0.802 541 A HN 0.513 nan 8.150 nan 0.000 0.481 542 G N -2.524 106.270 108.800 -0.010 0.000 4.098 542 G HA2 0.469 4.429 3.960 -0.000 0.000 0.300 542 G HA3 0.469 4.429 3.960 -0.000 0.000 0.300 542 G C 0.184 175.148 174.900 0.107 0.000 1.187 542 G CA 0.261 45.408 45.100 0.080 0.000 0.964 542 G HN 0.341 nan 8.290 nan 0.000 0.559 543 L N -1.391 119.903 121.223 0.117 0.000 3.760 543 L HA 0.258 4.598 4.340 -0.000 0.000 0.405 543 L C 1.780 178.707 176.870 0.094 0.000 0.943 543 L CA -0.004 54.863 54.840 0.046 0.000 1.739 543 L CB 0.122 42.160 42.059 -0.036 0.000 2.459 543 L HN 0.178 nan 8.230 nan 0.000 0.586 544 R N 0.426 120.977 120.500 0.084 0.000 2.391 544 R HA -0.029 4.311 4.340 -0.000 0.000 0.225 544 R C 0.677 177.126 176.300 0.248 0.000 1.079 544 R CA 1.570 57.726 56.100 0.093 0.000 1.147 544 R CB -0.075 30.217 30.300 -0.013 0.000 1.103 544 R HN 0.687 nan 8.270 nan 0.000 0.499 545 Y N -3.949 116.333 120.300 -0.030 0.000 2.537 545 Y HA 0.228 4.778 4.550 -0.000 0.000 0.302 545 Y C 1.322 177.186 175.900 -0.060 0.000 0.959 545 Y CA -0.551 57.522 58.100 -0.045 0.000 0.971 545 Y CB -0.141 38.262 38.460 -0.094 0.000 1.416 545 Y HN -0.030 nan 8.280 nan 0.000 0.585 546 R N 1.686 121.787 120.500 -0.665 0.000 2.237 546 R HA 0.025 4.365 4.340 -0.000 0.000 0.219 546 R C 0.723 176.830 176.300 -0.322 0.000 1.080 546 R CA 1.870 57.559 56.100 -0.686 0.000 0.995 546 R CB -0.071 29.930 30.300 -0.497 0.000 0.875 546 R HN 0.431 nan 8.270 nan 0.000 0.462 547 S N -0.793 114.829 115.700 -0.130 0.000 2.511 547 S HA 0.150 4.620 4.470 -0.000 0.000 0.214 547 S C 1.416 175.999 174.600 -0.028 0.000 0.997 547 S CA -0.108 58.084 58.200 -0.013 0.000 0.908 547 S CB 0.461 63.744 63.200 0.138 0.000 0.803 547 S HN 0.252 nan 8.310 nan 0.000 0.504 548 M N 1.301 120.881 119.600 -0.034 0.000 2.414 548 M HA 0.283 4.763 4.480 -0.000 0.000 0.251 548 M C 1.695 177.960 176.300 -0.059 0.000 1.116 548 M CA 0.296 55.576 55.300 -0.034 0.000 1.056 548 M CB -0.010 32.606 32.600 0.028 0.000 1.388 548 M HN 0.399 nan 8.290 nan 0.000 0.487 549 L N 0.558 121.729 121.223 -0.087 0.000 2.131 549 L HA -0.079 4.261 4.340 -0.000 0.000 0.210 549 L C 1.436 178.267 176.870 -0.065 0.000 1.092 549 L CA 1.180 55.975 54.840 -0.074 0.000 0.759 549 L CB -0.551 41.445 42.059 -0.106 0.000 0.903 549 L HN 0.141 nan 8.230 nan 0.000 0.435 550 L N 0.501 121.671 121.223 -0.088 0.000 2.239 550 L HA 0.278 4.618 4.340 -0.000 0.000 0.214 550 L C 1.224 178.033 176.870 -0.101 0.000 1.144 550 L CA 0.528 55.317 54.840 -0.085 0.000 2.496 550 L CB -1.676 40.310 42.059 -0.122 0.000 2.295 550 L HN 0.168 nan 8.230 nan 0.000 0.967 551 G N -1.915 106.783 108.800 -0.171 0.000 2.569 551 G HA2 0.396 4.356 3.960 -0.000 0.000 0.300 551 G HA3 0.396 4.356 3.960 -0.000 0.000 0.300 551 G C -0.592 174.158 174.900 -0.250 0.000 1.269 551 G CA -0.701 44.298 45.100 -0.167 0.000 0.959 551 G HN 0.534 nan 8.290 nan 0.000 0.478 552 N N -0.377 118.209 118.700 -0.189 0.000 2.501 552 N HA 0.270 5.010 4.740 -0.000 0.000 0.195 552 N C 0.876 176.246 175.510 -0.232 0.000 1.213 552 N CA 0.229 53.158 53.050 -0.203 0.000 0.864 552 N CB 0.642 39.039 38.487 -0.150 0.000 0.999 552 N HN 0.585 nan 8.380 nan 0.000 0.454 553 G N 0.694 109.328 108.800 -0.277 0.000 3.003 553 G HA2 0.160 4.120 3.960 -0.000 0.000 0.243 553 G HA3 0.160 4.120 3.960 -0.000 0.000 0.243 553 G C 0.119 174.863 174.900 -0.259 0.000 1.176 553 G CA -0.592 44.367 45.100 -0.235 0.000 0.812 553 G HN 0.121 nan 8.290 nan 0.000 0.584 554 R N -1.758 118.668 120.500 -0.123 0.000 2.123 554 R HA 0.197 4.537 4.340 -0.000 0.000 0.209 554 R C -0.220 176.149 176.300 0.115 0.000 1.078 554 R CA 0.272 56.370 56.100 -0.004 0.000 1.028 554 R CB -0.200 30.085 30.300 -0.024 0.000 0.939 554 R HN 0.266 nan 8.270 nan 0.000 0.463 555 Y N 2.077 122.341 120.300 -0.060 0.000 2.584 555 Y HA 0.281 4.831 4.550 -0.000 0.000 0.351 555 Y C -0.527 175.348 175.900 -0.041 0.000 1.030 555 Y CA -1.136 56.938 58.100 -0.044 0.000 1.332 555 Y CB 1.282 39.716 38.460 -0.045 0.000 1.148 555 Y HN -0.141 nan 8.280 nan 0.000 0.528 556 V N 7.487 127.474 119.914 0.121 0.000 2.380 556 V HA 0.237 4.357 4.120 -0.000 0.000 0.272 556 V C -2.294 173.883 176.094 0.138 0.000 1.011 556 V CA -2.289 60.065 62.300 0.090 0.000 0.826 556 V CB 1.555 33.408 31.823 0.051 0.000 1.040 556 V HN 0.531 nan 8.190 nan 0.000 0.441 557 P HA -0.047 nan 4.420 nan 0.000 0.255 557 P C 0.677 178.150 177.300 0.288 0.000 1.161 557 P CA 0.783 63.961 63.100 0.129 0.000 0.768 557 P CB 0.106 31.855 31.700 0.082 0.000 0.746 558 F N 2.143 122.134 119.950 0.069 0.000 2.468 558 F HA -0.194 4.333 4.527 -0.000 0.000 0.263 558 F C 1.778 177.703 175.800 0.207 0.000 1.149 558 F CA 0.592 58.663 58.000 0.118 0.000 1.279 558 F CB -0.058 39.011 39.000 0.115 0.000 1.399 558 F HN 0.483 nan 8.300 nan 0.000 0.515 559 H N 0.577 119.799 119.070 0.254 0.000 3.875 559 H HA -0.129 4.427 4.556 -0.000 0.000 0.337 559 H C -1.611 173.764 175.328 0.079 0.000 0.913 559 H CA 0.333 56.475 56.048 0.157 0.000 1.007 559 H CB -1.122 28.736 29.762 0.160 0.000 1.394 559 H HN 0.396 nan 8.280 nan 0.000 0.352 560 I N 3.335 123.635 120.570 -0.450 0.000 3.767 560 I HA 0.483 4.653 4.170 -0.000 0.000 0.276 560 I C -0.123 175.744 176.117 -0.417 0.000 1.128 560 I CA -0.948 60.115 61.300 -0.395 0.000 1.212 560 I CB 1.184 39.126 38.000 -0.097 0.000 1.369 560 I HN 0.557 nan 8.210 nan 0.000 0.459 561 Q N 0.813 120.337 119.800 -0.460 0.000 2.380 561 Q HA 0.606 4.946 4.340 -0.000 0.000 0.245 561 Q C -1.334 174.400 176.000 -0.444 0.000 0.893 561 Q CA -0.164 55.426 55.803 -0.356 0.000 0.922 561 Q CB 2.818 31.256 28.738 -0.501 0.000 1.432 561 Q HN 0.594 nan 8.270 nan 0.000 0.434 562 V N 1.426 121.317 119.914 -0.038 0.000 3.023 562 V HA 0.900 5.020 4.120 -0.000 0.000 0.294 562 V C -3.062 172.875 176.094 -0.261 0.000 1.324 562 V CA -1.719 60.589 62.300 0.013 0.000 0.979 562 V CB 2.452 34.272 31.823 -0.006 0.000 1.093 562 V HN 0.565 nan 8.190 nan 0.000 0.434 563 P HA 0.472 nan 4.420 nan 0.000 0.346 563 P C -1.283 175.783 177.300 -0.390 0.000 1.306 563 P CA -0.221 62.393 63.100 -0.811 0.000 0.778 563 P CB 0.904 32.170 31.700 -0.724 0.000 1.710 564 Q N -0.715 118.957 119.800 -0.214 0.000 2.297 564 Q HA 0.413 4.753 4.340 -0.000 0.000 0.268 564 Q C -1.008 174.976 176.000 -0.025 0.000 1.045 564 Q CA -0.569 55.249 55.803 0.026 0.000 0.861 564 Q CB 1.342 30.149 28.738 0.115 0.000 1.344 564 Q HN 0.168 nan 8.270 nan 0.000 0.452 565 K N 2.603 123.025 120.400 0.037 0.000 2.464 565 K HA 0.501 4.821 4.320 -0.000 0.000 0.252 565 K C -1.412 175.199 176.600 0.018 0.000 1.000 565 K CA -0.406 55.750 56.287 -0.218 0.000 0.951 565 K CB 0.901 32.962 32.500 -0.731 0.000 1.183 565 K HN 0.436 nan 8.250 nan 0.000 0.445 566 F N 1.598 121.505 119.950 -0.072 0.000 2.581 566 F HA 0.247 4.774 4.527 -0.000 0.000 0.311 566 F C 1.120 177.013 175.800 0.154 0.000 1.113 566 F CA -1.428 56.601 58.000 0.048 0.000 0.935 566 F CB 1.330 40.389 39.000 0.099 0.000 1.232 566 F HN 0.569 nan 8.300 nan 0.000 0.445 567 F N 2.670 122.453 119.950 -0.278 0.000 2.222 567 F HA -0.454 4.073 4.527 0.000 0.000 0.281 567 F C 1.774 177.695 175.800 0.203 0.000 1.130 567 F CA 2.915 60.887 58.000 -0.046 0.000 1.368 567 F CB -0.047 38.925 39.000 -0.046 0.000 0.890 567 F HN 0.494 nan 8.300 nan 0.000 0.524 568 A N -1.058 122.093 122.820 0.552 0.000 2.324 568 A HA 0.282 4.602 4.320 -0.000 0.000 0.220 568 A C 0.846 178.380 177.584 -0.083 0.000 1.209 568 A CA 0.169 52.288 52.037 0.136 0.000 0.918 568 A CB -0.659 18.229 19.000 -0.186 0.000 0.959 568 A HN 0.481 nan 8.150 nan 0.000 0.507 569 I N -2.774 117.879 120.570 0.138 0.000 3.363 569 I HA 0.279 4.449 4.170 -0.000 0.000 0.234 569 I C 0.461 176.624 176.117 0.078 0.000 1.263 569 I CA -0.127 61.214 61.300 0.067 0.000 0.921 569 I CB 0.027 38.094 38.000 0.111 0.000 1.614 569 I HN 0.176 nan 8.210 nan 0.000 0.879 570 K N 0.386 120.816 120.400 0.050 0.000 2.914 570 K HA -0.270 4.050 4.320 -0.000 0.000 0.253 570 K C -0.031 176.621 176.600 0.086 0.000 0.986 570 K CA 1.748 58.067 56.287 0.054 0.000 0.730 570 K CB -2.089 30.442 32.500 0.053 0.000 1.228 570 K HN 0.846 nan 8.250 nan 0.000 0.483 571 N N -1.972 116.765 118.700 0.061 0.000 2.056 571 N HA 0.132 4.872 4.740 -0.000 0.000 0.291 571 N C -0.583 174.920 175.510 -0.012 0.000 1.096 571 N CA -0.403 52.717 53.050 0.118 0.000 0.725 571 N CB 0.592 39.279 38.487 0.333 0.000 1.802 571 N HN -0.053 nan 8.380 nan 0.000 0.682 572 L N 1.854 122.969 121.223 -0.181 0.000 2.375 572 L HA 0.544 4.884 4.340 -0.000 0.000 0.268 572 L C -0.455 176.346 176.870 -0.115 0.000 1.058 572 L CA -0.451 54.243 54.840 -0.243 0.000 0.803 572 L CB 1.374 43.193 42.059 -0.400 0.000 1.212 572 L HN 0.017 nan 8.230 nan 0.000 0.451 573 L N 1.540 122.705 121.223 -0.096 0.000 2.422 573 L HA 0.686 5.026 4.340 -0.000 0.000 0.263 573 L C -0.515 176.317 176.870 -0.063 0.000 1.110 573 L CA -0.484 54.318 54.840 -0.064 0.000 1.065 573 L CB 1.558 43.593 42.059 -0.040 0.000 1.701 573 L HN 0.501 nan 8.230 nan 0.000 0.548 574 L N -2.066 119.132 121.223 -0.041 0.000 2.999 574 L HA 0.605 4.945 4.340 -0.000 0.000 0.274 574 L C -1.914 174.962 176.870 0.011 0.000 1.044 574 L CA -1.033 53.795 54.840 -0.020 0.000 0.943 574 L CB 1.439 43.493 42.059 -0.007 0.000 1.522 574 L HN 0.351 nan 8.230 nan 0.000 0.400 575 L N -0.671 120.578 121.223 0.044 0.000 2.421 575 L HA 0.764 5.104 4.340 -0.000 0.000 0.267 575 L C -2.244 174.683 176.870 0.095 0.000 1.036 575 L CA -2.089 52.781 54.840 0.051 0.000 0.829 575 L CB 0.071 42.148 42.059 0.030 0.000 1.437 575 L HN 0.429 nan 8.230 nan 0.000 0.488 576 P HA 0.105 nan 4.420 nan 0.000 0.269 576 P C -0.425 176.918 177.300 0.072 0.000 1.200 576 P CA 0.260 63.389 63.100 0.048 0.000 0.779 576 P CB 0.215 31.919 31.700 0.006 0.000 0.841 577 G N -0.469 108.284 108.800 -0.078 0.000 2.691 577 G HA2 0.457 4.417 3.960 -0.000 0.000 0.298 577 G HA3 0.457 4.417 3.960 -0.000 0.000 0.298 577 G C -1.321 173.078 174.900 -0.835 0.000 1.471 577 G CA -0.494 44.311 45.100 -0.491 0.000 0.912 577 G HN 0.543 nan 8.290 nan 0.000 0.553 578 S N 1.014 116.153 115.700 -0.935 0.000 2.252 578 S HA 0.677 5.147 4.470 -0.000 0.000 0.187 578 S C -0.265 174.037 174.600 -0.496 0.000 1.587 578 S CA -0.771 57.111 58.200 -0.529 0.000 1.215 578 S CB -0.099 62.973 63.200 -0.213 0.000 1.085 578 S HN 0.605 nan 8.310 nan 0.000 0.466 579 Y N 2.153 122.473 120.300 0.033 0.000 3.252 579 Y HA 0.727 5.277 4.550 -0.000 0.000 0.369 579 Y C 1.454 177.374 175.900 0.033 0.000 1.223 579 Y CA -0.411 57.705 58.100 0.027 0.000 1.036 579 Y CB -0.155 38.318 38.460 0.022 0.000 1.152 579 Y HN 0.608 nan 8.280 nan 0.000 0.885 580 T N -3.067 111.634 114.554 0.244 0.000 2.584 580 T HA 0.503 4.853 4.350 -0.000 0.000 0.273 580 T C -2.018 172.808 174.700 0.209 0.000 0.978 580 T CA -0.951 61.240 62.100 0.151 0.000 1.159 580 T CB 1.419 70.339 68.868 0.087 0.000 1.556 580 T HN 0.520 nan 8.240 nan 0.000 0.472 581 Y N -0.011 120.309 120.300 0.033 0.000 1.953 581 Y HA 0.337 4.887 4.550 -0.000 0.000 0.310 581 Y C -1.728 174.175 175.900 0.004 0.000 1.281 581 Y CA -0.467 57.655 58.100 0.036 0.000 1.725 581 Y CB 0.259 38.751 38.460 0.054 0.000 1.240 581 Y HN 0.953 nan 8.280 nan 0.000 0.383 582 E N 5.891 125.716 120.200 -0.624 0.000 2.356 582 E HA 0.428 4.778 4.350 -0.000 0.000 0.275 582 E C -2.053 174.313 176.600 -0.389 0.000 0.904 582 E CA -0.658 55.522 56.400 -0.366 0.000 0.757 582 E CB 2.265 31.811 29.700 -0.257 0.000 1.232 582 E HN 0.566 nan 8.360 nan 0.000 0.442 583 W N 3.824 124.886 121.300 -0.396 0.000 3.707 583 W HA 0.279 4.939 4.660 -0.000 0.000 0.294 583 W C -1.601 174.714 176.519 -0.341 0.000 1.248 583 W CA -0.436 56.764 57.345 -0.242 0.000 1.217 583 W CB 1.305 30.808 29.460 0.071 0.000 1.306 583 W HN 0.555 nan 8.180 nan 0.000 0.532 584 N N 4.893 123.466 118.700 -0.212 0.000 2.444 584 N HA 0.375 5.115 4.740 -0.000 0.000 0.271 584 N C -1.054 174.793 175.510 0.561 0.000 1.069 584 N CA 0.060 53.096 53.050 -0.024 0.000 0.965 584 N CB 0.999 39.421 38.487 -0.108 0.000 1.092 584 N HN 0.096 nan 8.380 nan 0.000 0.476 585 F N 1.211 121.276 119.950 0.192 0.000 2.482 585 F HA 0.430 4.957 4.527 -0.000 0.000 0.331 585 F C 1.171 177.069 175.800 0.163 0.000 1.115 585 F CA -1.337 56.751 58.000 0.146 0.000 0.955 585 F CB 1.582 40.600 39.000 0.029 0.000 1.136 585 F HN 0.232 nan 8.300 nan 0.000 0.452 586 R N 1.349 122.028 120.500 0.298 0.000 3.444 586 R HA -0.018 4.322 4.340 -0.000 0.000 0.171 586 R C 0.752 177.310 176.300 0.430 0.000 0.726 586 R CA 0.834 57.102 56.100 0.280 0.000 1.330 586 R CB -0.021 30.345 30.300 0.109 0.000 0.626 586 R HN 0.786 nan 8.270 nan 0.000 0.480 587 K N -1.782 118.873 120.400 0.425 0.000 1.656 587 K HA -0.036 4.284 4.320 -0.000 0.000 0.113 587 K C -1.236 175.517 176.600 0.255 0.000 2.123 587 K CA 0.316 56.908 56.287 0.508 0.000 0.953 587 K CB -0.213 32.643 32.500 0.592 0.000 2.266 587 K HN 0.393 nan 8.250 nan 0.000 0.343 588 D N 2.027 122.540 120.400 0.189 0.000 2.398 588 D HA 0.069 4.709 4.640 -0.000 0.000 0.250 588 D C 0.241 176.527 176.300 -0.023 0.000 1.287 588 D CA 0.004 54.016 54.000 0.018 0.000 0.992 588 D CB 0.971 41.758 40.800 -0.021 0.000 1.071 588 D HN 0.162 nan 8.370 nan 0.000 0.514 589 V N 4.029 123.914 119.914 -0.049 0.000 2.000 589 V HA 0.039 4.159 4.120 -0.000 0.000 0.257 589 V C 1.006 177.042 176.094 -0.096 0.000 1.801 589 V CA 0.115 62.383 62.300 -0.053 0.000 1.713 589 V CB -1.135 30.652 31.823 -0.058 0.000 1.531 589 V HN 0.546 nan 8.190 nan 0.000 0.493 590 N N 2.463 121.111 118.700 -0.087 0.000 3.366 590 N HA 0.094 4.834 4.740 -0.000 0.000 0.263 590 N C 1.400 176.880 175.510 -0.050 0.000 1.086 590 N CA 0.644 53.628 53.050 -0.110 0.000 1.261 590 N CB 0.038 38.443 38.487 -0.136 0.000 1.115 590 N HN 0.257 nan 8.380 nan 0.000 1.031 591 M N 1.515 121.139 119.600 0.040 0.000 2.254 591 M HA 0.101 4.581 4.480 -0.000 0.000 0.265 591 M C 1.781 178.168 176.300 0.147 0.000 1.066 591 M CA 1.388 56.775 55.300 0.145 0.000 1.123 591 M CB -0.597 32.136 32.600 0.223 0.000 1.388 591 M HN 0.162 nan 8.290 nan 0.000 0.425 592 V N -0.687 119.307 119.914 0.133 0.000 3.559 592 V HA 0.172 4.292 4.120 -0.000 0.000 0.272 592 V C 0.518 176.812 176.094 0.333 0.000 1.235 592 V CA 0.496 62.931 62.300 0.225 0.000 1.192 592 V CB -1.394 30.553 31.823 0.207 0.000 0.930 592 V HN 0.361 nan 8.190 nan 0.000 0.492 593 L N 0.119 121.445 121.223 0.173 0.000 2.424 593 L HA 0.517 4.857 4.340 -0.000 0.000 0.258 593 L C -0.312 176.539 176.870 -0.032 0.000 0.995 593 L CA -0.441 54.397 54.840 -0.002 0.000 0.821 593 L CB 2.555 44.530 42.059 -0.140 0.000 1.383 593 L HN 0.065 nan 8.230 nan 0.000 0.410 594 Q N 1.982 121.697 119.800 -0.141 0.000 2.647 594 Q HA 0.182 4.522 4.340 -0.000 0.000 0.400 594 Q C -0.413 175.472 176.000 -0.191 0.000 0.959 594 Q CA -0.150 55.595 55.803 -0.097 0.000 1.079 594 Q CB 1.236 29.968 28.738 -0.011 0.000 1.351 594 Q HN 0.639 nan 8.270 nan 0.000 0.411 595 S N -0.474 115.069 115.700 -0.260 0.000 2.566 595 S HA -0.001 4.469 4.470 -0.000 0.000 0.280 595 S C 1.324 175.811 174.600 -0.188 0.000 1.343 595 S CA 0.395 58.432 58.200 -0.271 0.000 1.036 595 S CB 1.122 64.148 63.200 -0.289 0.000 0.866 595 S HN 0.667 nan 8.310 nan 0.000 0.526 596 S N 2.831 118.446 115.700 -0.142 0.000 2.444 596 S HA -0.112 4.359 4.470 -0.000 0.000 0.225 596 S C 1.640 176.188 174.600 -0.086 0.000 1.042 596 S CA 1.521 59.672 58.200 -0.080 0.000 1.132 596 S CB -0.503 62.672 63.200 -0.041 0.000 1.099 596 S HN 0.586 nan 8.310 nan 0.000 0.417 597 L N -1.000 120.167 121.223 -0.094 0.000 2.140 597 L HA 0.315 4.655 4.340 -0.000 0.000 0.201 597 L C 2.318 179.144 176.870 -0.073 0.000 1.191 597 L CA 1.776 56.586 54.840 -0.050 0.000 0.825 597 L CB -1.710 40.315 42.059 -0.057 0.000 0.970 597 L HN 0.589 nan 8.230 nan 0.000 0.477 598 G N -0.943 107.779 108.800 -0.131 0.000 2.579 598 G HA2 0.011 3.971 3.960 -0.000 0.000 0.160 598 G HA3 0.011 3.971 3.960 -0.000 0.000 0.160 598 G C -0.132 174.570 174.900 -0.330 0.000 1.386 598 G CA 0.244 45.164 45.100 -0.299 0.000 0.713 598 G HN 0.524 nan 8.290 nan 0.000 0.688 599 N N 1.435 120.072 118.700 -0.106 0.000 1.730 599 N HA -0.180 4.560 4.740 -0.000 0.000 0.359 599 N C -1.051 174.381 175.510 -0.129 0.000 1.156 599 N CA 1.449 54.462 53.050 -0.062 0.000 0.819 599 N CB 0.189 38.714 38.487 0.062 0.000 0.988 599 N HN 0.457 nan 8.380 nan 0.000 0.517 600 D N -0.071 120.277 120.400 -0.087 0.000 2.248 600 D HA 0.532 5.172 4.640 -0.000 0.000 0.246 600 D C -0.785 175.468 176.300 -0.079 0.000 1.027 600 D CA -0.810 53.128 54.000 -0.103 0.000 0.853 600 D CB 0.798 41.553 40.800 -0.076 0.000 1.243 600 D HN 0.511 nan 8.370 nan 0.000 0.462 601 L N 3.349 124.514 121.223 -0.096 0.000 2.581 601 L HA 0.545 4.885 4.340 -0.000 0.000 0.241 601 L C 1.119 177.948 176.870 -0.068 0.000 1.265 601 L CA -0.471 54.318 54.840 -0.085 0.000 0.954 601 L CB 0.927 42.920 42.059 -0.109 0.000 1.269 601 L HN 0.334 nan 8.230 nan 0.000 0.475 602 R N -0.094 120.378 120.500 -0.047 0.000 2.221 602 R HA 0.106 4.446 4.340 -0.000 0.000 0.195 602 R C 1.871 178.165 176.300 -0.010 0.000 0.956 602 R CA 0.732 56.814 56.100 -0.031 0.000 1.064 602 R CB 0.467 30.757 30.300 -0.017 0.000 1.049 602 R HN 0.529 nan 8.270 nan 0.000 0.534 603 V N -1.825 118.084 119.914 -0.009 0.000 2.500 603 V HA 0.050 4.170 4.120 -0.000 0.000 0.243 603 V C 0.226 176.306 176.094 -0.023 0.000 1.039 603 V CA 1.001 63.297 62.300 -0.006 0.000 1.053 603 V CB -0.343 31.479 31.823 -0.002 0.000 0.695 603 V HN 0.017 nan 8.190 nan 0.000 0.463 604 D N 2.721 123.097 120.400 -0.040 0.000 2.826 604 D HA 0.349 4.989 4.640 -0.000 0.000 0.229 604 D C 1.520 177.789 176.300 -0.051 0.000 1.091 604 D CA 0.884 54.848 54.000 -0.061 0.000 1.061 604 D CB -0.747 39.995 40.800 -0.096 0.000 1.155 604 D HN 0.593 nan 8.370 nan 0.000 0.450 605 G N 1.252 110.034 108.800 -0.031 0.000 2.485 605 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.320 605 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.320 605 G C 0.942 175.833 174.900 -0.015 0.000 0.882 605 G CA 0.546 45.636 45.100 -0.017 0.000 0.878 605 G HN 0.558 nan 8.290 nan 0.000 0.509 606 A N -0.058 122.743 122.820 -0.032 0.000 2.411 606 A HA 0.556 4.876 4.320 -0.000 0.000 0.251 606 A C 1.445 179.007 177.584 -0.036 0.000 1.317 606 A CA 0.670 52.687 52.037 -0.032 0.000 0.904 606 A CB 0.071 19.036 19.000 -0.059 0.000 0.993 606 A HN 0.746 nan 8.150 nan 0.000 0.504 607 S N 0.760 116.439 115.700 -0.036 0.000 2.870 607 S HA -0.006 4.464 4.470 -0.000 0.000 0.334 607 S C 0.391 174.935 174.600 -0.093 0.000 1.115 607 S CA 0.023 58.193 58.200 -0.050 0.000 1.570 607 S CB -0.622 62.556 63.200 -0.037 0.000 1.405 607 S HN 0.538 nan 8.310 nan 0.000 0.605 608 I N 2.936 123.444 120.570 -0.104 0.000 2.397 608 I HA 0.074 4.244 4.170 -0.000 0.000 0.291 608 I C 0.746 176.648 176.117 -0.359 0.000 1.125 608 I CA -0.225 60.988 61.300 -0.146 0.000 1.961 608 I CB -0.385 37.591 38.000 -0.040 0.000 1.508 608 I HN 0.423 nan 8.210 nan 0.000 0.886 609 K N 3.453 123.625 120.400 -0.380 0.000 2.229 609 K HA 0.193 4.513 4.320 -0.000 0.000 0.250 609 K C -0.820 175.373 176.600 -0.680 0.000 1.016 609 K CA 0.626 56.660 56.287 -0.421 0.000 0.866 609 K CB 0.543 32.890 32.500 -0.255 0.000 1.028 609 K HN 0.260 nan 8.250 nan 0.000 0.514 610 F N -0.351 119.333 119.950 -0.444 0.000 2.593 610 F HA 0.269 4.796 4.527 0.000 0.000 0.320 610 F C 0.272 175.937 175.800 -0.225 0.000 1.060 610 F CA -0.509 57.274 58.000 -0.361 0.000 0.940 610 F CB 2.048 40.569 39.000 -0.799 0.000 1.268 610 F HN 0.510 nan 8.300 nan 0.000 0.475 611 D N -0.239 120.294 120.400 0.222 0.000 2.480 611 D HA 0.228 4.868 4.640 -0.000 0.000 0.276 611 D C -0.948 175.512 176.300 0.266 0.000 1.294 611 D CA 0.332 54.461 54.000 0.215 0.000 0.829 611 D CB 1.079 41.929 40.800 0.083 0.000 1.242 611 D HN 0.351 nan 8.370 nan 0.000 0.513 612 S N -0.222 115.676 115.700 0.330 0.000 2.714 612 S HA 0.417 4.887 4.470 -0.000 0.000 0.284 612 S C -1.522 173.276 174.600 0.331 0.000 1.019 612 S CA -0.691 57.686 58.200 0.295 0.000 0.856 612 S CB 1.341 64.684 63.200 0.240 0.000 1.075 612 S HN 0.107 nan 8.310 nan 0.000 0.455 613 I N 0.397 121.150 120.570 0.306 0.000 3.279 613 I HA 0.900 5.070 4.170 -0.000 0.000 0.315 613 I C -1.530 174.810 176.117 0.372 0.000 1.225 613 I CA -0.063 61.441 61.300 0.341 0.000 0.947 613 I CB 2.066 40.268 38.000 0.338 0.000 1.293 613 I HN 0.921 nan 8.210 nan 0.000 0.468 614 C N 2.792 122.351 119.300 0.431 0.000 3.303 614 C HA 0.652 5.112 4.460 -0.000 0.000 0.340 614 C C -1.289 173.966 174.990 0.441 0.000 1.274 614 C CA -0.944 58.326 59.018 0.419 0.000 1.234 614 C CB 1.360 29.304 27.740 0.341 0.000 1.532 614 C HN 0.802 nan 8.230 nan 0.000 0.483 615 L N 1.323 122.670 121.223 0.206 0.000 2.393 615 L HA 0.898 5.238 4.340 -0.000 0.000 0.260 615 L C -1.752 175.179 176.870 0.103 0.000 1.002 615 L CA -0.247 54.734 54.840 0.236 0.000 0.818 615 L CB 1.826 43.969 42.059 0.140 0.000 1.369 615 L HN 0.733 nan 8.230 nan 0.000 0.412 616 Y N 1.742 121.884 120.300 -0.264 0.000 2.665 616 Y HA 0.892 5.442 4.550 -0.000 0.000 0.336 616 Y C -0.260 175.619 175.900 -0.036 0.000 1.085 616 Y CA -1.218 56.820 58.100 -0.104 0.000 1.096 616 Y CB 2.154 40.608 38.460 -0.009 0.000 1.301 616 Y HN 0.639 nan 8.280 nan 0.000 0.493 617 A N 0.240 123.160 122.820 0.166 0.000 2.458 617 A HA 0.473 4.793 4.320 -0.000 0.000 0.304 617 A C -1.214 176.442 177.584 0.121 0.000 1.026 617 A CA -0.845 51.252 52.037 0.100 0.000 1.021 617 A CB -0.328 18.691 19.000 0.031 0.000 1.479 617 A HN 0.601 nan 8.150 nan 0.000 0.385 618 T N 2.853 117.471 114.554 0.106 0.000 2.750 618 T HA 0.404 4.754 4.350 -0.000 0.000 0.286 618 T C 0.195 174.951 174.700 0.093 0.000 0.911 618 T CA 0.494 62.659 62.100 0.108 0.000 1.130 618 T CB -0.558 68.351 68.868 0.067 0.000 0.873 618 T HN 0.358 nan 8.240 nan 0.000 0.536 619 F N 1.915 121.889 119.950 0.040 0.000 2.426 619 F HA 0.473 5.000 4.527 -0.000 0.000 0.309 619 F C 0.283 176.134 175.800 0.084 0.000 1.246 619 F CA -0.443 57.605 58.000 0.080 0.000 1.229 619 F CB 0.606 39.650 39.000 0.074 0.000 1.255 619 F HN 0.410 nan 8.300 nan 0.000 0.558 620 F N 3.200 123.371 119.950 0.369 0.000 2.828 620 F HA 0.347 4.874 4.527 0.000 0.000 0.355 620 F C -2.163 173.792 175.800 0.257 0.000 1.200 620 F CA -2.562 55.572 58.000 0.224 0.000 1.062 620 F CB 0.390 39.458 39.000 0.113 0.000 1.351 620 F HN 0.125 nan 8.300 nan 0.000 0.504 621 P HA 0.399 nan 4.420 nan 0.000 0.272 621 P C -0.783 176.658 177.300 0.236 0.000 1.230 621 P CA -0.313 62.957 63.100 0.284 0.000 0.788 621 P CB 1.575 33.382 31.700 0.178 0.000 0.949 622 M N 0.414 120.118 119.600 0.173 0.000 2.438 622 M HA 0.339 4.819 4.480 -0.000 0.000 0.215 622 M C -1.672 174.702 176.300 0.123 0.000 0.924 622 M CA -0.450 54.922 55.300 0.120 0.000 0.783 622 M CB 0.873 33.525 32.600 0.087 0.000 2.350 622 M HN 0.512 nan 8.290 nan 0.000 0.448 623 A N 3.896 126.751 122.820 0.058 0.000 2.613 623 A HA 0.057 4.377 4.320 -0.000 0.000 0.230 623 A C 0.056 177.701 177.584 0.101 0.000 1.051 623 A CA 0.818 52.852 52.037 -0.006 0.000 0.754 623 A CB -0.581 18.389 19.000 -0.049 0.000 0.979 623 A HN 0.952 nan 8.150 nan 0.000 0.510 624 H N 1.812 120.895 119.070 0.021 0.000 4.787 624 H HA -0.050 4.506 4.556 -0.000 0.000 0.172 624 H C 1.580 176.914 175.328 0.010 0.000 1.110 624 H CA 0.264 56.325 56.048 0.021 0.000 1.314 624 H CB -0.399 29.377 29.762 0.022 0.000 1.491 624 H HN 0.827 nan 8.280 nan 0.000 0.894 625 N N 0.570 119.328 118.700 0.096 0.000 2.182 625 N HA -0.113 4.627 4.740 -0.000 0.000 0.186 625 N C 0.989 176.517 175.510 0.031 0.000 1.036 625 N CA 1.506 54.578 53.050 0.037 0.000 0.850 625 N CB 0.025 38.513 38.487 0.002 0.000 1.010 625 N HN 0.216 nan 8.380 nan 0.000 0.432 626 T N -0.990 113.580 114.554 0.027 0.000 3.023 626 T HA 0.449 4.799 4.350 -0.000 0.000 0.253 626 T C 1.952 176.667 174.700 0.025 0.000 1.038 626 T CA 0.220 62.328 62.100 0.013 0.000 0.962 626 T CB 0.403 69.266 68.868 -0.007 0.000 1.018 626 T HN 0.399 nan 8.240 nan 0.000 0.521 627 A N 1.884 124.735 122.820 0.053 0.000 1.873 627 A HA -0.007 4.313 4.320 -0.000 0.000 0.215 627 A C 2.541 180.149 177.584 0.041 0.000 1.186 627 A CA 1.642 53.710 52.037 0.052 0.000 0.616 627 A CB -1.007 18.051 19.000 0.096 0.000 0.823 627 A HN 0.403 nan 8.150 nan 0.000 0.442 628 S N -0.725 115.017 115.700 0.070 0.000 2.447 628 S HA -0.073 4.397 4.470 -0.000 0.000 0.233 628 S C 1.736 176.357 174.600 0.034 0.000 1.006 628 S CA 1.643 59.876 58.200 0.056 0.000 0.957 628 S CB -0.287 62.959 63.200 0.077 0.000 0.773 628 S HN 0.754 nan 8.310 nan 0.000 0.507 629 T N 0.572 115.142 114.554 0.028 0.000 3.065 629 T HA 0.223 4.573 4.350 -0.000 0.000 0.252 629 T C 0.814 175.522 174.700 0.013 0.000 1.099 629 T CA 0.268 62.378 62.100 0.018 0.000 1.063 629 T CB 0.165 69.040 68.868 0.011 0.000 0.948 629 T HN 0.181 nan 8.240 nan 0.000 0.506 630 L N 1.068 122.298 121.223 0.013 0.000 2.817 630 L HA 0.324 4.664 4.340 -0.000 0.000 0.248 630 L C 1.993 178.869 176.870 0.011 0.000 1.133 630 L CA 0.283 55.128 54.840 0.009 0.000 0.935 630 L CB -0.445 41.615 42.059 0.001 0.000 1.266 630 L HN 0.397 nan 8.230 nan 0.000 0.535 631 E N -0.315 119.892 120.200 0.011 0.000 2.516 631 E HA 0.207 4.557 4.350 -0.000 0.000 0.199 631 E C 1.008 177.613 176.600 0.009 0.000 1.069 631 E CA 0.843 57.247 56.400 0.007 0.000 0.876 631 E CB 0.288 29.989 29.700 0.001 0.000 0.843 631 E HN 0.321 nan 8.360 nan 0.000 0.530 632 A N 0.226 123.055 122.820 0.015 0.000 3.969 632 A HA 0.567 4.887 4.320 -0.000 0.000 0.168 632 A C 0.949 178.547 177.584 0.023 0.000 0.806 632 A CA 0.050 52.099 52.037 0.020 0.000 0.871 632 A CB 0.453 19.464 19.000 0.018 0.000 1.498 632 A HN 0.237 nan 8.150 nan 0.000 0.779 633 M N -2.830 116.783 119.600 0.021 0.000 2.754 633 M HA -0.290 4.190 4.480 -0.000 0.000 0.122 633 M C -0.384 175.929 176.300 0.023 0.000 0.726 633 M CA 2.437 57.747 55.300 0.016 0.000 0.464 633 M CB -1.045 31.562 32.600 0.012 0.000 1.714 633 M HN 0.486 nan 8.290 nan 0.000 0.247 634 L N 0.014 121.258 121.223 0.034 0.000 3.154 634 L HA 0.290 4.630 4.340 -0.000 0.000 0.266 634 L C 1.133 178.075 176.870 0.119 0.000 1.300 634 L CA -0.121 54.751 54.840 0.053 0.000 1.028 634 L CB 0.344 42.423 42.059 0.034 0.000 1.412 634 L HN 0.221 nan 8.230 nan 0.000 0.564 635 R N -0.656 119.936 120.500 0.152 0.000 2.565 635 R HA 0.265 4.605 4.340 -0.000 0.000 0.347 635 R C -0.080 176.493 176.300 0.456 0.000 1.010 635 R CA -0.209 56.018 56.100 0.210 0.000 1.126 635 R CB 0.535 30.838 30.300 0.006 0.000 1.331 635 R HN 0.141 nan 8.270 nan 0.000 0.552 636 N N 1.023 119.857 118.700 0.223 0.000 2.425 636 N HA 0.054 4.794 4.740 -0.000 0.000 0.268 636 N C -0.064 175.324 175.510 -0.204 0.000 0.991 636 N CA -0.104 52.962 53.050 0.026 0.000 0.931 636 N CB 1.578 40.067 38.487 0.005 0.000 1.130 636 N HN -0.042 nan 8.380 nan 0.000 0.493 637 D N 0.527 120.705 120.400 -0.370 0.000 2.190 637 D HA -0.160 4.480 4.640 -0.000 0.000 0.200 637 D C 1.175 177.341 176.300 -0.223 0.000 0.992 637 D CA 1.513 55.248 54.000 -0.442 0.000 0.854 637 D CB -0.015 40.607 40.800 -0.296 0.000 0.936 637 D HN 0.522 nan 8.370 nan 0.000 0.462 638 T N 0.219 114.692 114.554 -0.135 0.000 2.822 638 T HA -0.112 4.238 4.350 -0.000 0.000 0.270 638 T C 0.674 175.331 174.700 -0.072 0.000 1.064 638 T CA 1.072 63.124 62.100 -0.080 0.000 1.131 638 T CB -0.146 68.692 68.868 -0.050 0.000 0.858 638 T HN 0.135 nan 8.240 nan 0.000 0.483 639 N N 1.055 119.704 118.700 -0.086 0.000 2.541 639 N HA 0.219 4.959 4.740 -0.000 0.000 0.297 639 N C -0.148 175.322 175.510 -0.067 0.000 1.503 639 N CA -0.296 52.723 53.050 -0.053 0.000 0.919 639 N CB 0.425 38.901 38.487 -0.018 0.000 1.305 639 N HN 0.212 nan 8.380 nan 0.000 0.501 640 D N 1.757 122.079 120.400 -0.130 0.000 1.536 640 D HA -0.004 4.636 4.640 -0.000 0.000 0.316 640 D C 0.417 176.700 176.300 -0.028 0.000 1.120 640 D CA 1.138 55.065 54.000 -0.123 0.000 0.929 640 D CB 0.323 41.017 40.800 -0.177 0.000 1.553 640 D HN 0.358 nan 8.370 nan 0.000 0.511 641 Q N -0.896 118.890 119.800 -0.025 0.000 3.041 641 Q HA 0.344 4.684 4.340 -0.000 0.000 0.198 641 Q C -1.465 174.537 176.000 0.004 0.000 0.905 641 Q CA -0.521 55.281 55.803 -0.002 0.000 1.255 641 Q CB 0.287 29.019 28.738 -0.010 0.000 1.668 641 Q HN 0.277 nan 8.270 nan 0.000 0.609 642 S N 1.420 117.157 115.700 0.062 0.000 2.823 642 S HA 0.961 5.431 4.470 -0.000 0.000 0.316 642 S C -0.750 174.048 174.600 0.329 0.000 1.116 642 S CA -0.501 57.764 58.200 0.108 0.000 0.911 642 S CB 1.551 64.803 63.200 0.087 0.000 1.276 642 S HN 0.506 nan 8.310 nan 0.000 0.565 643 F N 0.580 120.569 119.950 0.064 0.000 3.698 643 F HA 0.571 5.098 4.527 -0.000 0.000 0.330 643 F C -1.588 174.359 175.800 0.244 0.000 1.176 643 F CA -0.379 57.709 58.000 0.147 0.000 0.899 643 F CB 0.871 39.999 39.000 0.215 0.000 1.645 643 F HN 1.015 nan 8.300 nan 0.000 0.522 644 N N 0.767 119.724 118.700 0.428 0.000 3.049 644 N HA 0.185 4.925 4.740 -0.000 0.000 0.244 644 N C -2.547 172.941 175.510 -0.037 0.000 1.203 644 N CA -0.489 52.756 53.050 0.325 0.000 0.945 644 N CB 2.043 40.600 38.487 0.117 0.000 1.616 644 N HN 0.320 nan 8.380 nan 0.000 0.505 645 D N 0.425 120.671 120.400 -0.257 0.000 2.185 645 D HA 0.324 4.964 4.640 -0.000 0.000 0.247 645 D C 0.153 176.339 176.300 -0.190 0.000 1.027 645 D CA -0.280 53.431 54.000 -0.481 0.000 0.861 645 D CB 1.105 41.362 40.800 -0.905 0.000 1.202 645 D HN 0.407 nan 8.370 nan 0.000 0.453 646 Y N 2.533 122.646 120.300 -0.311 0.000 2.206 646 Y HA -0.111 4.439 4.550 -0.000 0.000 0.292 646 Y C 1.952 177.678 175.900 -0.290 0.000 1.123 646 Y CA 0.988 58.927 58.100 -0.268 0.000 1.142 646 Y CB -0.362 37.963 38.460 -0.226 0.000 1.006 646 Y HN 0.417 nan 8.280 nan 0.000 0.518 647 L N -0.711 120.425 121.223 -0.144 0.000 1.994 647 L HA -0.020 4.320 4.340 -0.000 0.000 0.208 647 L C 1.267 177.999 176.870 -0.229 0.000 1.071 647 L CA 1.097 55.805 54.840 -0.220 0.000 0.745 647 L CB -2.100 39.844 42.059 -0.193 0.000 0.892 647 L HN 0.029 nan 8.230 nan 0.000 0.431 648 S N 0.648 116.220 115.700 -0.213 0.000 3.317 648 S HA -0.030 4.440 4.470 -0.000 0.000 0.358 648 S C 0.532 175.061 174.600 -0.119 0.000 0.945 648 S CA 0.545 58.652 58.200 -0.154 0.000 1.279 648 S CB -2.123 60.956 63.200 -0.202 0.000 0.905 648 S HN 1.060 nan 8.310 nan 0.000 0.507 649 A N 0.575 123.362 122.820 -0.054 0.000 3.540 649 A HA 1.033 5.353 4.320 -0.000 0.000 0.180 649 A C 0.388 178.052 177.584 0.132 0.000 1.231 649 A CA -0.029 52.021 52.037 0.021 0.000 0.873 649 A CB 0.524 19.515 19.000 -0.014 0.000 1.548 649 A HN 1.384 nan 8.150 nan 0.000 0.570 650 A N -1.299 121.616 122.820 0.158 0.000 4.015 650 A HA 0.804 5.124 4.320 -0.000 0.000 0.233 650 A C -1.304 176.336 177.584 0.092 0.000 0.909 650 A CA 0.022 52.145 52.037 0.145 0.000 0.683 650 A CB 0.657 19.747 19.000 0.151 0.000 1.540 650 A HN 1.658 nan 8.150 nan 0.000 0.809 651 N N -1.406 117.324 118.700 0.051 0.000 6.279 651 N HA 0.138 4.878 4.740 -0.000 0.000 0.127 651 N C -1.384 174.132 175.510 0.010 0.000 1.061 651 N CA -0.328 52.701 53.050 -0.035 0.000 1.110 651 N CB -0.170 38.329 38.487 0.020 0.000 1.480 651 N HN 0.589 nan 8.380 nan 0.000 1.172 652 M N 1.465 121.064 119.600 -0.001 0.000 2.846 652 M HA 0.617 5.097 4.480 -0.000 0.000 0.282 652 M C -0.995 175.391 176.300 0.144 0.000 1.266 652 M CA -0.500 54.852 55.300 0.087 0.000 0.766 652 M CB 2.126 34.764 32.600 0.064 0.000 1.739 652 M HN 0.674 nan 8.290 nan 0.000 0.442 653 L N -1.727 119.611 121.223 0.192 0.000 3.334 653 L HA 0.685 5.025 4.340 -0.000 0.000 0.222 653 L C -1.337 175.740 176.870 0.344 0.000 1.687 653 L CA -0.578 54.406 54.840 0.239 0.000 1.957 653 L CB 0.378 42.590 42.059 0.256 0.000 1.909 653 L HN 0.653 nan 8.230 nan 0.000 0.606 654 Y N -0.746 119.597 120.300 0.071 0.000 3.084 654 Y HA 0.403 4.953 4.550 -0.000 0.000 0.426 654 Y C -2.954 172.967 175.900 0.034 0.000 1.124 654 Y CA -0.565 57.562 58.100 0.046 0.000 1.269 654 Y CB -0.143 38.345 38.460 0.047 0.000 1.785 654 Y HN 0.538 nan 8.280 nan 0.000 0.479 655 P HA 0.712 nan 4.420 nan 0.000 0.325 655 P C -1.339 175.998 177.300 0.062 0.000 1.298 655 P CA -0.248 62.853 63.100 0.002 0.000 0.771 655 P CB 2.345 33.998 31.700 -0.078 0.000 1.389 656 I N -0.829 119.758 120.570 0.027 0.000 2.994 656 I HA 0.374 4.544 4.170 -0.000 0.000 0.306 656 I C -2.335 173.793 176.117 0.018 0.000 1.195 656 I CA -2.537 58.783 61.300 0.033 0.000 1.001 656 I CB 2.792 40.806 38.000 0.023 0.000 1.244 656 I HN 0.307 nan 8.210 nan 0.000 0.437 657 P HA 0.270 nan 4.420 nan 0.000 0.302 657 P C -0.886 176.420 177.300 0.010 0.000 1.307 657 P CA -0.475 62.635 63.100 0.015 0.000 0.754 657 P CB 0.582 32.295 31.700 0.023 0.000 1.298 658 A N 0.431 123.256 122.820 0.009 0.000 3.202 658 A HA 0.346 4.666 4.320 -0.000 0.000 0.258 658 A C 0.005 177.598 177.584 0.015 0.000 1.572 658 A CA 0.081 52.123 52.037 0.009 0.000 1.241 658 A CB -1.839 17.165 19.000 0.006 0.000 1.127 658 A HN 0.573 nan 8.150 nan 0.000 0.648 659 N N -0.904 117.807 118.700 0.020 0.000 3.849 659 N HA -0.008 4.732 4.740 -0.000 0.000 0.109 659 N C -0.273 175.255 175.510 0.030 0.000 0.848 659 N CA 0.454 53.520 53.050 0.026 0.000 3.154 659 N CB -0.847 37.657 38.487 0.028 0.000 1.283 659 N HN 0.515 nan 8.380 nan 0.000 0.806 660 A N 0.213 123.050 122.820 0.028 0.000 2.802 660 A HA -0.020 4.300 4.320 -0.000 0.000 0.291 660 A C 1.545 179.148 177.584 0.031 0.000 1.609 660 A CA 1.193 53.246 52.037 0.027 0.000 1.132 660 A CB -0.606 18.407 19.000 0.022 0.000 0.930 660 A HN 0.418 nan 8.150 nan 0.000 0.583 661 T N 1.677 116.250 114.554 0.032 0.000 2.706 661 T HA 0.029 4.379 4.350 -0.000 0.000 0.255 661 T C 0.757 175.476 174.700 0.032 0.000 1.048 661 T CA 1.407 63.529 62.100 0.036 0.000 1.153 661 T CB -0.150 68.739 68.868 0.034 0.000 0.865 661 T HN 0.820 nan 8.240 nan 0.000 0.414 662 N N -0.293 118.425 118.700 0.029 0.000 2.484 662 N HA 0.579 5.319 4.740 -0.000 0.000 0.269 662 N C -1.797 173.744 175.510 0.052 0.000 1.237 662 N CA -0.421 52.651 53.050 0.037 0.000 0.838 662 N CB 2.469 40.983 38.487 0.045 0.000 1.593 662 N HN 0.040 nan 8.380 nan 0.000 0.485 663 V N 1.257 121.232 119.914 0.101 0.000 2.969 663 V HA 0.573 4.692 4.120 -0.000 0.000 0.304 663 V C -2.569 173.640 176.094 0.193 0.000 1.192 663 V CA -1.217 61.148 62.300 0.108 0.000 0.962 663 V CB 3.399 35.274 31.823 0.085 0.000 1.045 663 V HN 0.621 nan 8.190 nan 0.000 0.428 664 P HA 0.554 nan 4.420 nan 0.000 0.304 664 P C -1.141 176.059 177.300 -0.167 0.000 1.366 664 P CA -0.434 62.598 63.100 -0.113 0.000 0.859 664 P CB 0.999 32.610 31.700 -0.149 0.000 0.961 665 I N 0.609 121.098 120.570 -0.136 0.000 2.464 665 I HA 0.391 4.561 4.170 -0.000 0.000 0.277 665 I C 1.070 177.119 176.117 -0.114 0.000 1.040 665 I CA -0.618 60.606 61.300 -0.126 0.000 1.153 665 I CB 1.277 39.298 38.000 0.035 0.000 1.274 665 I HN 0.191 nan 8.210 nan 0.000 0.469 666 S N 6.204 121.825 115.700 -0.132 0.000 2.116 666 S HA 0.518 4.988 4.470 -0.000 0.000 0.173 666 S C 0.228 174.815 174.600 -0.022 0.000 1.419 666 S CA 0.724 58.872 58.200 -0.087 0.000 2.163 666 S CB 0.386 63.538 63.200 -0.081 0.000 0.340 666 S HN 0.669 nan 8.310 nan 0.000 0.358 667 I N -0.621 119.957 120.570 0.013 0.000 1.808 667 I HA 0.170 4.340 4.170 -0.000 0.000 0.318 667 I C -2.492 173.696 176.117 0.118 0.000 2.914 667 I CA -0.992 60.349 61.300 0.068 0.000 0.979 667 I CB 1.400 39.471 38.000 0.117 0.000 2.244 667 I HN 0.538 nan 8.210 nan 0.000 0.689 668 P HA 0.614 nan 4.420 nan 0.000 0.335 668 P C -1.225 176.240 177.300 0.275 0.000 1.388 668 P CA -0.149 63.019 63.100 0.114 0.000 0.859 668 P CB 0.706 32.404 31.700 -0.004 0.000 2.107 669 S N -2.516 113.227 115.700 0.072 0.000 2.567 669 S HA 0.595 5.065 4.470 -0.000 0.000 0.270 669 S C -0.145 174.248 174.600 -0.344 0.000 1.152 669 S CA -0.802 57.480 58.200 0.137 0.000 0.835 669 S CB 2.525 66.018 63.200 0.488 0.000 1.115 669 S HN 0.655 nan 8.310 nan 0.000 0.459 670 R N 1.330 121.434 120.500 -0.660 0.000 2.898 670 R HA 0.484 4.824 4.340 -0.000 0.000 0.092 670 R C -1.087 175.070 176.300 -0.238 0.000 0.570 670 R CA -0.818 54.973 56.100 -0.515 0.000 0.381 670 R CB 0.345 30.259 30.300 -0.644 0.000 0.320 670 R HN 0.529 nan 8.270 nan 0.000 0.321 671 N N 0.580 119.125 118.700 -0.259 0.000 2.716 671 N HA 0.192 4.932 4.740 -0.000 0.000 0.245 671 N C -1.370 174.208 175.510 0.115 0.000 1.495 671 N CA -0.294 52.784 53.050 0.046 0.000 0.759 671 N CB 0.892 39.378 38.487 -0.001 0.000 1.261 671 N HN 0.367 nan 8.380 nan 0.000 0.515 672 W N 1.054 122.359 121.300 0.008 0.000 3.040 672 W HA 0.557 5.217 4.660 -0.000 0.000 0.444 672 W C 0.642 177.081 176.519 -0.133 0.000 0.793 672 W CA -1.554 55.764 57.345 -0.045 0.000 2.104 672 W CB -1.662 27.773 29.460 -0.041 0.000 1.060 672 W HN 0.138 nan 8.180 nan 0.000 0.842 673 A N 1.725 124.619 122.820 0.124 0.000 2.911 673 A HA 0.656 4.976 4.320 -0.000 0.000 0.202 673 A C 2.019 179.551 177.584 -0.086 0.000 2.026 673 A CA 1.085 53.174 52.037 0.085 0.000 0.923 673 A CB -1.024 18.044 19.000 0.114 0.000 1.859 673 A HN 0.833 nan 8.150 nan 0.000 0.782 674 A N -1.855 120.927 122.820 -0.064 0.000 5.017 674 A HA -0.197 4.123 4.320 -0.000 0.000 0.368 674 A C 1.227 178.714 177.584 -0.162 0.000 1.562 674 A CA 2.864 54.747 52.037 -0.257 0.000 0.699 674 A CB -2.011 16.535 19.000 -0.757 0.000 1.542 674 A HN 2.634 nan 8.150 nan 0.000 0.438 675 F N -1.088 118.719 119.950 -0.237 0.000 1.380 675 F HA -0.053 4.474 4.527 -0.000 0.000 0.068 675 F C 0.483 176.286 175.800 0.005 0.000 0.137 675 F CA 2.514 60.505 58.000 -0.016 0.000 0.287 675 F CB -0.232 38.496 39.000 -0.453 0.000 0.714 675 F HN 1.149 nan 8.300 nan 0.000 0.664 676 R N 0.475 120.002 120.500 -1.623 0.000 3.034 676 R HA 0.519 4.859 4.340 -0.000 0.000 0.264 676 R C 0.427 175.745 176.300 -1.638 0.000 1.030 676 R CA -0.442 54.965 56.100 -1.154 0.000 0.903 676 R CB 0.502 30.344 30.300 -0.762 0.000 1.414 676 R HN 1.605 nan 8.270 nan 0.000 0.429 677 G N 0.560 108.839 108.800 -0.869 0.000 2.464 677 G HA2 -0.252 3.708 3.960 -0.000 0.000 1.024 677 G HA3 -0.252 3.708 3.960 -0.000 0.000 1.024 677 G C -0.481 173.969 174.900 -0.750 0.000 1.383 677 G CA 0.838 45.563 45.100 -0.625 0.000 0.866 677 G HN 0.576 nan 8.290 nan 0.000 0.502 678 W N -0.978 120.243 121.300 -0.131 0.000 0.548 678 W HA 0.459 5.119 4.660 -0.000 0.000 0.222 678 W C 0.821 177.325 176.519 -0.026 0.000 0.679 678 W CA -0.765 56.422 57.345 -0.263 0.000 1.068 678 W CB -1.058 28.282 29.460 -0.200 0.000 0.801 678 W HN 0.938 nan 8.180 nan 0.000 0.394 679 A N 1.389 124.331 122.820 0.204 0.000 2.290 679 A HA 0.485 4.805 4.320 -0.000 0.000 0.308 679 A C -0.162 177.685 177.584 0.437 0.000 1.246 679 A CA 1.792 53.999 52.037 0.283 0.000 0.929 679 A CB -0.026 19.002 19.000 0.047 0.000 1.125 679 A HN 0.754 nan 8.150 nan 0.000 0.522 680 F N -5.406 114.718 119.950 0.290 0.000 3.071 680 F HA 0.481 5.008 4.527 -0.000 0.000 0.329 680 F C -0.917 175.070 175.800 0.311 0.000 1.038 680 F CA -0.406 57.767 58.000 0.288 0.000 0.839 680 F CB 0.072 39.194 39.000 0.203 0.000 2.263 680 F HN 0.921 nan 8.300 nan 0.000 0.407 681 T N 0.441 115.482 114.554 0.812 0.000 2.786 681 T HA 0.491 4.841 4.350 -0.000 0.000 0.316 681 T C -1.807 173.145 174.700 0.421 0.000 1.503 681 T CA -1.024 61.409 62.100 0.555 0.000 1.019 681 T CB 2.194 71.230 68.868 0.280 0.000 1.415 681 T HN 0.889 nan 8.240 nan 0.000 0.496 682 R N 1.487 122.167 120.500 0.301 0.000 2.310 682 R HA 0.590 4.930 4.340 -0.000 0.000 0.316 682 R C -0.522 175.845 176.300 0.112 0.000 1.004 682 R CA -0.435 55.756 56.100 0.153 0.000 0.900 682 R CB 0.239 30.640 30.300 0.169 0.000 1.152 682 R HN 0.490 nan 8.270 nan 0.000 0.513 683 L N 2.297 123.552 121.223 0.053 0.000 2.855 683 L HA 0.523 4.863 4.340 -0.000 0.000 0.204 683 L C -0.179 176.698 176.870 0.012 0.000 1.206 683 L CA -0.766 54.086 54.840 0.020 0.000 0.942 683 L CB 0.362 42.389 42.059 -0.054 0.000 1.832 683 L HN 0.282 nan 8.230 nan 0.000 0.522 684 K N -1.180 119.213 120.400 -0.011 0.000 2.613 684 K HA 0.263 4.583 4.320 -0.000 0.000 0.248 684 K C 0.236 176.816 176.600 -0.035 0.000 0.959 684 K CA -0.348 55.932 56.287 -0.012 0.000 0.855 684 K CB 1.739 34.237 32.500 -0.002 0.000 1.143 684 K HN 0.393 nan 8.250 nan 0.000 0.437 685 T N 1.446 115.983 114.554 -0.029 0.000 2.774 685 T HA -0.233 4.117 4.350 -0.000 0.000 0.264 685 T C 1.454 176.132 174.700 -0.036 0.000 1.037 685 T CA 1.749 63.826 62.100 -0.037 0.000 1.152 685 T CB -0.042 68.806 68.868 -0.032 0.000 0.842 685 T HN 0.312 nan 8.240 nan 0.000 0.483 686 K N 0.138 120.529 120.400 -0.015 0.000 2.273 686 K HA 0.178 4.498 4.320 -0.000 0.000 0.206 686 K C 2.141 178.778 176.600 0.063 0.000 1.072 686 K CA 1.007 57.317 56.287 0.038 0.000 0.953 686 K CB -0.594 31.940 32.500 0.057 0.000 1.043 686 K HN 0.553 nan 8.250 nan 0.000 0.477 687 E N 0.890 121.085 120.200 -0.009 0.000 2.130 687 E HA -0.136 4.214 4.350 -0.000 0.000 0.196 687 E C -0.250 176.282 176.600 -0.113 0.000 0.998 687 E CA 1.594 57.938 56.400 -0.093 0.000 0.806 687 E CB -0.184 29.423 29.700 -0.155 0.000 0.738 687 E HN 0.157 nan 8.360 nan 0.000 0.459 688 T N -1.298 113.165 114.554 -0.151 0.000 3.060 688 T HA 0.357 4.707 4.350 -0.000 0.000 0.367 688 T C -2.410 172.173 174.700 -0.196 0.000 1.229 688 T CA -1.877 60.074 62.100 -0.248 0.000 1.104 688 T CB 1.907 70.670 68.868 -0.176 0.000 1.083 688 T HN -0.012 nan 8.240 nan 0.000 0.524 689 P HA 0.394 nan 4.420 nan 0.000 0.197 689 P C 0.203 177.438 177.300 -0.109 0.000 1.188 689 P CA 0.173 63.201 63.100 -0.120 0.000 0.873 689 P CB 0.610 32.286 31.700 -0.039 0.000 0.712 690 S N -2.737 112.898 115.700 -0.107 0.000 2.688 690 S HA 0.411 4.881 4.470 -0.000 0.000 0.266 690 S C -2.050 172.539 174.600 -0.019 0.000 1.061 690 S CA -0.578 57.586 58.200 -0.060 0.000 0.844 690 S CB -0.393 62.798 63.200 -0.016 0.000 1.103 690 S HN 0.006 nan 8.310 nan 0.000 0.471 691 L N 2.535 123.767 121.223 0.014 0.000 2.506 691 L HA 0.477 4.817 4.340 -0.000 0.000 0.247 691 L C 1.227 178.144 176.870 0.078 0.000 1.141 691 L CA -0.030 54.850 54.840 0.066 0.000 0.973 691 L CB 0.642 42.745 42.059 0.074 0.000 1.319 691 L HN 0.891 nan 8.230 nan 0.000 0.455 692 G N -0.913 107.938 108.800 0.085 0.000 3.141 692 G HA2 0.114 4.074 3.960 -0.000 0.000 0.218 692 G HA3 0.114 4.074 3.960 -0.000 0.000 0.218 692 G C 0.702 175.657 174.900 0.092 0.000 1.170 692 G CA 0.710 45.854 45.100 0.074 0.000 0.769 692 G HN 0.521 nan 8.290 nan 0.000 0.546 693 S N -1.912 113.869 115.700 0.134 0.000 5.007 693 S HA 0.509 4.979 4.470 -0.000 0.000 0.151 693 S C 0.807 175.520 174.600 0.188 0.000 1.182 693 S CA 0.963 59.273 58.200 0.183 0.000 1.145 693 S CB 0.091 63.443 63.200 0.252 0.000 2.073 693 S HN 0.836 nan 8.310 nan 0.000 0.745 694 G N 0.533 109.538 108.800 0.343 0.000 4.806 694 G HA2 0.292 4.252 3.960 -0.000 0.000 0.222 694 G HA3 0.292 4.252 3.960 -0.000 0.000 0.222 694 G C -1.274 173.977 174.900 0.586 0.000 0.789 694 G CA 0.128 45.406 45.100 0.297 0.000 1.154 694 G HN 0.666 nan 8.290 nan 0.000 0.693 695 Y N 1.257 121.789 120.300 0.385 0.000 2.226 695 Y HA 0.379 4.929 4.550 -0.000 0.000 0.314 695 Y C -2.105 173.940 175.900 0.242 0.000 1.268 695 Y CA -1.732 56.563 58.100 0.325 0.000 1.271 695 Y CB 0.992 39.655 38.460 0.339 0.000 1.294 695 Y HN 0.050 nan 8.280 nan 0.000 0.392 696 D N 8.538 129.303 120.400 0.608 0.000 2.232 696 D HA 0.396 5.036 4.640 -0.000 0.000 0.242 696 D C -1.912 174.593 176.300 0.342 0.000 1.093 696 D CA -1.536 52.719 54.000 0.425 0.000 0.845 696 D CB 2.210 43.323 40.800 0.520 0.000 1.124 696 D HN 0.299 nan 8.370 nan 0.000 0.467 697 P HA 0.025 nan 4.420 nan 0.000 0.245 697 P C -0.096 177.116 177.300 -0.147 0.000 1.199 697 P CA 0.258 63.301 63.100 -0.095 0.000 0.807 697 P CB 0.505 32.028 31.700 -0.294 0.000 1.002 698 Y N -0.112 120.266 120.300 0.130 0.000 2.602 698 Y HA 0.370 4.920 4.550 -0.000 0.000 0.373 698 Y C -0.226 175.805 175.900 0.217 0.000 0.960 698 Y CA -0.986 57.186 58.100 0.120 0.000 1.281 698 Y CB -0.051 38.455 38.460 0.076 0.000 1.308 698 Y HN -0.080 nan 8.280 nan 0.000 0.595 699 Y N -1.284 119.127 120.300 0.185 0.000 3.581 699 Y HA -0.018 4.532 4.550 -0.000 0.000 0.173 699 Y C -0.603 175.416 175.900 0.198 0.000 0.498 699 Y CA -0.419 57.772 58.100 0.152 0.000 1.060 699 Y CB -0.781 37.752 38.460 0.123 0.000 1.139 699 Y HN 0.025 nan 8.280 nan 0.000 0.590 700 T N 2.938 117.507 114.554 0.025 0.000 4.475 700 T HA 0.136 4.486 4.350 -0.000 0.000 0.254 700 T C -1.056 173.601 174.700 -0.072 0.000 1.160 700 T CA 0.571 62.667 62.100 -0.007 0.000 1.091 700 T CB -1.055 67.847 68.868 0.057 0.000 1.377 700 T HN 0.401 nan 8.240 nan 0.000 1.057 701 Y N 0.699 120.713 120.300 -0.477 0.000 2.326 701 Y HA 0.489 5.039 4.550 -0.000 0.000 0.329 701 Y C -0.067 175.590 175.900 -0.403 0.000 0.973 701 Y CA -0.860 56.994 58.100 -0.411 0.000 1.162 701 Y CB 1.369 39.576 38.460 -0.423 0.000 1.147 701 Y HN 0.063 nan 8.280 nan 0.000 0.456 702 S N 5.044 120.426 115.700 -0.529 0.000 3.483 702 S HA 0.663 5.133 4.470 -0.000 0.000 0.274 702 S C 0.131 174.366 174.600 -0.608 0.000 1.289 702 S CA 0.575 58.519 58.200 -0.426 0.000 0.938 702 S CB -0.754 62.278 63.200 -0.280 0.000 1.453 702 S HN 1.138 nan 8.310 nan 0.000 0.494 703 G N 1.065 109.510 108.800 -0.592 0.000 2.450 703 G HA2 0.272 4.232 3.960 -0.000 0.000 0.273 703 G HA3 0.272 4.232 3.960 -0.000 0.000 0.273 703 G C -1.073 173.942 174.900 0.191 0.000 1.221 703 G CA -0.484 44.391 45.100 -0.375 0.000 0.900 703 G HN 0.552 nan 8.290 nan 0.000 0.483 704 S N 1.102 116.940 115.700 0.230 0.000 2.681 704 S HA 0.556 5.026 4.470 -0.000 0.000 0.313 704 S C 0.716 175.528 174.600 0.354 0.000 1.137 704 S CA -0.563 57.811 58.200 0.289 0.000 1.045 704 S CB -0.707 62.594 63.200 0.168 0.000 1.208 704 S HN 0.661 nan 8.310 nan 0.000 0.523 705 I N 0.797 121.553 120.570 0.309 0.000 3.432 705 I HA 0.398 4.568 4.170 -0.000 0.000 0.291 705 I C -2.179 174.045 176.117 0.178 0.000 1.127 705 I CA -2.976 58.434 61.300 0.183 0.000 0.962 705 I CB 0.001 38.058 38.000 0.096 0.000 1.550 705 I HN 0.228 nan 8.210 nan 0.000 0.736 706 P HA 0.141 nan 4.420 nan 0.000 0.241 706 P C -0.754 176.723 177.300 0.295 0.000 1.780 706 P CA 0.516 63.739 63.100 0.204 0.000 1.111 706 P CB -0.059 31.766 31.700 0.209 0.000 1.852 707 Y N 1.819 122.173 120.300 0.090 0.000 2.728 707 Y HA -0.078 4.472 4.550 -0.000 0.000 0.329 707 Y C 0.980 176.928 175.900 0.079 0.000 0.876 707 Y CA 0.050 58.206 58.100 0.094 0.000 0.876 707 Y CB -0.736 37.739 38.460 0.025 0.000 1.370 707 Y HN -0.107 nan 8.280 nan 0.000 0.543 708 L N 2.260 123.720 121.223 0.394 0.000 1.931 708 L HA -0.222 4.118 4.340 -0.000 0.000 0.242 708 L C 1.551 178.517 176.870 0.159 0.000 1.081 708 L CA 1.813 56.820 54.840 0.279 0.000 0.868 708 L CB -0.741 41.444 42.059 0.210 0.000 0.912 708 L HN 0.357 nan 8.230 nan 0.000 0.427 709 D N 0.809 121.271 120.400 0.102 0.000 2.403 709 D HA 0.060 4.700 4.640 -0.000 0.000 0.227 709 D C 0.800 177.071 176.300 -0.049 0.000 0.995 709 D CA 1.020 55.048 54.000 0.047 0.000 0.928 709 D CB -0.425 40.400 40.800 0.041 0.000 0.887 709 D HN 0.618 nan 8.370 nan 0.000 0.529 710 G N 0.208 108.965 108.800 -0.073 0.000 3.400 710 G HA2 0.143 4.103 3.960 -0.000 0.000 0.679 710 G HA3 0.143 4.103 3.960 -0.000 0.000 0.679 710 G C -0.606 174.020 174.900 -0.457 0.000 1.239 710 G CA -0.573 44.398 45.100 -0.214 0.000 1.049 710 G HN 0.251 nan 8.290 nan 0.000 0.539 711 T N 0.082 114.428 114.554 -0.346 0.000 4.328 711 T HA 0.533 4.883 4.350 -0.000 0.000 0.356 711 T C -0.802 173.962 174.700 0.107 0.000 0.889 711 T CA -0.385 61.544 62.100 -0.285 0.000 0.998 711 T CB 0.176 69.020 68.868 -0.039 0.000 1.122 711 T HN 1.808 nan 8.240 nan 0.000 0.467 712 F N 1.603 121.581 119.950 0.047 0.000 3.282 712 F HA 0.457 4.984 4.527 0.000 0.000 0.398 712 F C -0.031 175.879 175.800 0.183 0.000 1.205 712 F CA -1.479 56.573 58.000 0.087 0.000 1.273 712 F CB -0.219 38.732 39.000 -0.082 0.000 2.153 712 F HN 0.525 nan 8.300 nan 0.000 0.680 713 Y N 0.085 120.458 120.300 0.122 0.000 2.494 713 Y HA 0.416 4.966 4.550 -0.000 0.000 0.271 713 Y C 0.453 176.330 175.900 -0.040 0.000 1.113 713 Y CA -0.794 57.361 58.100 0.093 0.000 1.240 713 Y CB -0.363 38.185 38.460 0.147 0.000 1.268 713 Y HN 0.390 nan 8.280 nan 0.000 0.510 714 L N 2.961 123.976 121.223 -0.348 0.000 3.168 714 L HA 0.149 4.489 4.340 -0.000 0.000 0.253 714 L C -0.897 175.733 176.870 -0.400 0.000 1.384 714 L CA 0.458 54.869 54.840 -0.714 0.000 1.131 714 L CB -0.724 41.162 42.059 -0.288 0.000 1.552 714 L HN 0.230 nan 8.230 nan 0.000 0.431 715 N N 0.797 119.267 118.700 -0.383 0.000 2.886 715 N HA 0.206 4.946 4.740 -0.000 0.000 0.285 715 N C -0.069 175.297 175.510 -0.240 0.000 1.706 715 N CA -0.219 52.808 53.050 -0.038 0.000 0.904 715 N CB 0.222 38.864 38.487 0.260 0.000 1.224 715 N HN 0.530 nan 8.380 nan 0.000 0.488 716 H N -3.184 115.667 119.070 -0.365 0.000 3.676 716 H HA 0.077 4.633 4.556 -0.000 0.000 0.268 716 H C -0.299 174.771 175.328 -0.430 0.000 1.127 716 H CA -0.276 55.654 56.048 -0.197 0.000 1.162 716 H CB -0.272 29.351 29.762 -0.231 0.000 1.967 716 H HN 0.018 nan 8.280 nan 0.000 0.850 717 T N 0.736 115.000 114.554 -0.484 0.000 3.113 717 T HA 0.122 4.472 4.350 -0.000 0.000 0.256 717 T C 0.306 175.037 174.700 0.051 0.000 1.131 717 T CA 0.072 62.101 62.100 -0.118 0.000 1.074 717 T CB -0.599 68.319 68.868 0.083 0.000 0.944 717 T HN 0.319 nan 8.240 nan 0.000 0.516 718 F N 1.123 121.173 119.950 0.166 0.000 2.403 718 F HA 0.606 5.133 4.527 -0.000 0.000 0.355 718 F C 0.924 176.822 175.800 0.164 0.000 1.119 718 F CA -1.776 56.287 58.000 0.105 0.000 1.007 718 F CB 1.177 40.179 39.000 0.004 0.000 1.194 718 F HN -0.366 nan 8.300 nan 0.000 0.443 719 K N 2.210 122.751 120.400 0.236 0.000 1.992 719 K HA -0.141 4.179 4.320 -0.000 0.000 0.225 719 K C 0.582 177.260 176.600 0.130 0.000 1.020 719 K CA 0.732 57.128 56.287 0.182 0.000 1.042 719 K CB -0.322 32.245 32.500 0.113 0.000 0.772 719 K HN 0.619 nan 8.250 nan 0.000 0.444 720 K N 1.189 121.630 120.400 0.069 0.000 2.295 720 K HA 0.134 4.454 4.320 -0.000 0.000 0.270 720 K C -1.074 175.510 176.600 -0.025 0.000 1.011 720 K CA -0.160 56.120 56.287 -0.010 0.000 0.953 720 K CB 0.802 33.272 32.500 -0.051 0.000 0.956 720 K HN 0.096 nan 8.250 nan 0.000 0.477 721 V N 2.601 122.414 119.914 -0.169 0.000 2.559 721 V HA 0.616 4.736 4.120 -0.000 0.000 0.289 721 V C -0.791 174.880 176.094 -0.705 0.000 1.036 721 V CA -0.678 61.511 62.300 -0.186 0.000 0.887 721 V CB 0.770 32.611 31.823 0.030 0.000 1.022 721 V HN 0.962 nan 8.190 nan 0.000 0.442 722 A N 4.683 127.164 122.820 -0.566 0.000 2.437 722 A HA 1.083 5.403 4.320 -0.000 0.000 0.292 722 A C -1.189 176.123 177.584 -0.452 0.000 1.173 722 A CA -0.840 50.780 52.037 -0.696 0.000 0.785 722 A CB 1.956 20.648 19.000 -0.514 0.000 1.351 722 A HN 0.755 nan 8.150 nan 0.000 0.431 723 I N -0.735 119.614 120.570 -0.369 0.000 2.771 723 I HA 0.343 4.513 4.170 -0.000 0.000 0.291 723 I C -0.450 175.324 176.117 -0.572 0.000 1.527 723 I CA 0.119 61.108 61.300 -0.517 0.000 1.024 723 I CB 2.733 40.384 38.000 -0.581 0.000 1.388 723 I HN 0.672 nan 8.210 nan 0.000 0.447 724 T N 3.591 117.789 114.554 -0.593 0.000 2.945 724 T HA 0.596 4.946 4.350 -0.000 0.000 0.286 724 T C -0.649 173.674 174.700 -0.629 0.000 1.025 724 T CA -0.343 61.486 62.100 -0.452 0.000 1.039 724 T CB 1.040 69.759 68.868 -0.249 0.000 1.068 724 T HN 0.186 nan 8.240 nan 0.000 0.497 725 F N 1.992 121.905 119.950 -0.062 0.000 2.471 725 F HA 0.352 4.879 4.527 0.000 0.000 0.318 725 F C 0.954 176.691 175.800 -0.106 0.000 1.308 725 F CA -0.651 57.286 58.000 -0.105 0.000 1.162 725 F CB -0.064 38.855 39.000 -0.135 0.000 1.383 725 F HN 0.744 nan 8.300 nan 0.000 0.552 726 D N 0.091 120.495 120.400 0.007 0.000 2.514 726 D HA -0.249 4.391 4.640 -0.000 0.000 0.245 726 D C 1.176 177.450 176.300 -0.043 0.000 0.891 726 D CA 1.784 55.764 54.000 -0.034 0.000 1.737 726 D CB -1.028 39.727 40.800 -0.075 0.000 1.350 726 D HN 0.459 nan 8.370 nan 0.000 0.674 727 S N -1.922 113.761 115.700 -0.028 0.000 1.564 727 S HA -0.209 4.261 4.470 -0.000 0.000 0.244 727 S C 1.467 176.063 174.600 -0.007 0.000 0.603 727 S CA 1.499 59.681 58.200 -0.030 0.000 0.972 727 S CB -1.980 61.196 63.200 -0.039 0.000 0.815 727 S HN 1.128 nan 8.310 nan 0.000 0.483 728 S N 1.050 116.738 115.700 -0.020 0.000 2.461 728 S HA 0.154 4.624 4.470 -0.000 0.000 0.249 728 S C 0.893 175.514 174.600 0.036 0.000 1.012 728 S CA 1.375 59.566 58.200 -0.014 0.000 0.982 728 S CB -0.436 62.724 63.200 -0.066 0.000 0.764 728 S HN 1.581 nan 8.310 nan 0.000 0.506 729 V N -1.609 118.347 119.914 0.071 0.000 3.203 729 V HA 0.700 4.820 4.120 -0.000 0.000 0.305 729 V C 0.405 176.587 176.094 0.146 0.000 1.361 729 V CA 0.010 62.399 62.300 0.148 0.000 1.066 729 V CB 1.623 33.605 31.823 0.266 0.000 1.085 729 V HN 0.220 nan 8.190 nan 0.000 0.456 730 S N 0.028 115.856 115.700 0.212 0.000 2.658 730 S HA 0.206 4.676 4.470 -0.000 0.000 0.277 730 S C -0.244 174.551 174.600 0.326 0.000 1.078 730 S CA 0.772 59.060 58.200 0.147 0.000 1.124 730 S CB -0.196 63.038 63.200 0.055 0.000 1.016 730 S HN 1.063 nan 8.310 nan 0.000 0.543 731 W N 1.783 123.182 121.300 0.165 0.000 3.071 731 W HA -0.151 4.509 4.660 -0.000 0.000 0.188 731 W C -2.750 173.867 176.519 0.164 0.000 0.640 731 W CA 1.122 58.588 57.345 0.202 0.000 0.460 731 W CB -0.790 28.905 29.460 0.392 0.000 2.843 731 W HN 0.172 nan 8.180 nan 0.000 0.415 732 P HA 0.153 nan 4.420 nan 0.000 0.238 732 P C 0.850 177.717 177.300 -0.722 0.000 1.714 732 P CA 1.041 64.005 63.100 -0.228 0.000 0.908 732 P CB -0.517 31.115 31.700 -0.113 0.000 1.893 733 G N 1.130 109.542 108.800 -0.647 0.000 2.221 733 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.536 733 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.536 733 G C 0.597 175.161 174.900 -0.559 0.000 1.308 733 G CA -0.307 44.519 45.100 -0.457 0.000 1.227 733 G HN 0.414 nan 8.290 nan 0.000 0.674 734 N N 0.033 118.554 118.700 -0.297 0.000 2.701 734 N HA -0.187 4.553 4.740 -0.000 0.000 0.252 734 N C 0.069 175.441 175.510 -0.232 0.000 1.002 734 N CA 1.423 54.349 53.050 -0.206 0.000 0.758 734 N CB -0.730 37.665 38.487 -0.154 0.000 0.937 734 N HN 0.713 nan 8.380 nan 0.000 0.538 735 D N -0.016 120.256 120.400 -0.212 0.000 5.645 735 D HA -0.216 4.424 4.640 -0.000 0.000 0.083 735 D C 0.113 176.306 176.300 -0.180 0.000 0.946 735 D CA 1.503 55.401 54.000 -0.170 0.000 0.733 735 D CB 0.322 41.061 40.800 -0.102 0.000 1.206 735 D HN 0.526 nan 8.370 nan 0.000 0.639 736 R N 1.519 121.916 120.500 -0.173 0.000 2.979 736 R HA 0.510 4.850 4.340 -0.000 0.000 0.286 736 R C -0.047 176.189 176.300 -0.106 0.000 0.972 736 R CA -0.516 55.500 56.100 -0.141 0.000 0.828 736 R CB 0.108 30.306 30.300 -0.170 0.000 1.368 736 R HN 0.550 nan 8.270 nan 0.000 0.511 737 L N -1.340 119.839 121.223 -0.073 0.000 6.447 737 L HA -0.345 3.995 4.340 -0.000 0.000 0.053 737 L C -0.663 176.197 176.870 -0.017 0.000 2.588 737 L CA 2.441 57.257 54.840 -0.040 0.000 1.411 737 L CB -1.571 40.464 42.059 -0.040 0.000 2.990 737 L HN 0.821 nan 8.230 nan 0.000 1.106 738 L N -2.556 118.672 121.223 0.009 0.000 1.918 738 L HA 0.256 4.596 4.340 -0.000 0.000 0.150 738 L C 0.764 177.662 176.870 0.046 0.000 1.315 738 L CA 0.834 55.694 54.840 0.032 0.000 1.085 738 L CB -0.249 41.846 42.059 0.061 0.000 2.248 738 L HN 0.733 nan 8.230 nan 0.000 0.481 739 T N -0.981 113.619 114.554 0.076 0.000 3.213 739 T HA 0.418 4.768 4.350 -0.000 0.000 0.240 739 T C -2.625 172.133 174.700 0.096 0.000 1.033 739 T CA -1.714 60.438 62.100 0.086 0.000 1.087 739 T CB -0.441 68.496 68.868 0.115 0.000 1.119 739 T HN -0.119 nan 8.240 nan 0.000 0.571 740 P HA 0.070 nan 4.420 nan 0.000 0.267 740 P C 0.225 177.566 177.300 0.069 0.000 1.201 740 P CA 0.546 63.673 63.100 0.045 0.000 0.775 740 P CB 0.196 31.867 31.700 -0.047 0.000 0.854 741 N N -2.289 116.475 118.700 0.107 0.000 2.962 741 N HA -0.206 4.534 4.740 -0.000 0.000 0.206 741 N C 0.128 175.674 175.510 0.060 0.000 0.907 741 N CA 1.232 54.329 53.050 0.078 0.000 1.029 741 N CB -1.055 37.446 38.487 0.024 0.000 1.009 741 N HN 0.790 nan 8.380 nan 0.000 0.587 742 E N 0.545 120.817 120.200 0.120 0.000 2.429 742 E HA 0.561 4.911 4.350 -0.000 0.000 0.280 742 E C -1.625 175.085 176.600 0.185 0.000 1.068 742 E CA -0.875 55.511 56.400 -0.023 0.000 0.837 742 E CB 1.501 31.164 29.700 -0.061 0.000 1.357 742 E HN 0.244 nan 8.360 nan 0.000 0.455 743 F N -0.948 119.013 119.950 0.019 0.000 3.818 743 F HA 0.319 4.846 4.527 -0.000 0.000 0.399 743 F C -0.570 175.264 175.800 0.058 0.000 0.970 743 F CA -0.905 57.125 58.000 0.050 0.000 1.634 743 F CB -0.335 38.709 39.000 0.074 0.000 2.295 743 F HN 0.305 nan 8.300 nan 0.000 0.852 744 E N 2.765 123.013 120.200 0.080 0.000 2.585 744 E HA 0.427 4.777 4.350 -0.000 0.000 0.256 744 E C 0.308 176.964 176.600 0.093 0.000 1.383 744 E CA -0.466 55.960 56.400 0.044 0.000 1.029 744 E CB 1.435 31.151 29.700 0.027 0.000 1.044 744 E HN 0.741 nan 8.360 nan 0.000 0.595 745 I N 0.194 120.771 120.570 0.013 0.000 3.297 745 I HA 0.119 4.289 4.170 -0.000 0.000 0.321 745 I C 0.092 176.176 176.117 -0.055 0.000 1.503 745 I CA -0.152 61.053 61.300 -0.159 0.000 0.929 745 I CB 0.011 37.720 38.000 -0.485 0.000 1.531 745 I HN 0.638 nan 8.210 nan 0.000 0.599 746 K N -0.092 120.364 120.400 0.092 0.000 7.157 746 K HA 0.207 4.527 4.320 -0.000 0.000 0.566 746 K C -0.323 176.343 176.600 0.109 0.000 1.319 746 K CA -0.517 55.872 56.287 0.170 0.000 1.019 746 K CB 0.269 32.983 32.500 0.356 0.000 1.491 746 K HN -0.089 nan 8.250 nan 0.000 0.809 747 R N -1.733 118.831 120.500 0.107 0.000 4.290 747 R HA 0.160 4.500 4.340 -0.000 0.000 0.036 747 R C 0.325 176.654 176.300 0.049 0.000 0.800 747 R CA 0.690 56.823 56.100 0.055 0.000 2.409 747 R CB 0.238 30.556 30.300 0.030 0.000 1.201 747 R HN 0.768 nan 8.270 nan 0.000 0.471 748 S N -1.019 114.707 115.700 0.044 0.000 3.709 748 S HA 0.103 4.573 4.470 -0.000 0.000 0.110 748 S C -1.564 173.047 174.600 0.018 0.000 0.819 748 S CA 0.262 58.475 58.200 0.021 0.000 1.430 748 S CB 0.429 63.638 63.200 0.015 0.000 0.929 748 S HN 0.211 nan 8.310 nan 0.000 0.712 749 V N 2.178 122.113 119.914 0.034 0.000 4.745 749 V HA 0.170 4.290 4.120 -0.000 0.000 0.296 749 V C -0.676 175.440 176.094 0.038 0.000 0.958 749 V CA 0.452 62.775 62.300 0.038 0.000 1.638 749 V CB 0.304 32.140 31.823 0.021 0.000 1.469 749 V HN 0.634 nan 8.190 nan 0.000 0.449 750 D N 2.183 122.616 120.400 0.054 0.000 3.808 750 D HA 0.502 5.142 4.640 -0.000 0.000 0.179 750 D C 0.908 177.265 176.300 0.095 0.000 1.365 750 D CA 0.777 54.807 54.000 0.049 0.000 1.305 750 D CB 1.475 42.283 40.800 0.013 0.000 1.303 750 D HN 0.720 nan 8.370 nan 0.000 0.438 751 G N -0.186 108.688 108.800 0.122 0.000 2.651 751 G HA2 0.327 4.287 3.960 -0.000 0.000 0.260 751 G HA3 0.327 4.287 3.960 -0.000 0.000 0.260 751 G C 0.247 175.420 174.900 0.455 0.000 1.216 751 G CA 0.259 45.572 45.100 0.354 0.000 0.913 751 G HN 0.358 nan 8.290 nan 0.000 0.535 752 E N -1.502 118.922 120.200 0.372 0.000 2.665 752 E HA 0.131 4.481 4.350 -0.000 0.000 0.225 752 E C 1.897 178.372 176.600 -0.209 0.000 0.922 752 E CA 0.546 57.005 56.400 0.098 0.000 1.242 752 E CB -0.022 29.708 29.700 0.050 0.000 1.197 752 E HN 0.478 nan 8.360 nan 0.000 0.581 753 G N 0.231 108.542 108.800 -0.814 0.000 3.061 753 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.208 753 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.208 753 G C 0.020 174.554 174.900 -0.610 0.000 1.175 753 G CA 0.511 45.182 45.100 -0.716 0.000 0.812 753 G HN 0.318 nan 8.290 nan 0.000 0.523 754 Y N -2.574 117.747 120.300 0.035 0.000 2.779 754 Y HA 0.445 4.995 4.550 -0.000 0.000 0.271 754 Y C -0.071 175.865 175.900 0.061 0.000 0.940 754 Y CA -1.170 56.959 58.100 0.049 0.000 1.112 754 Y CB -0.476 38.013 38.460 0.048 0.000 1.200 754 Y HN 0.051 nan 8.280 nan 0.000 0.643 755 N N 1.009 119.831 118.700 0.203 0.000 2.805 755 N HA 0.178 4.918 4.740 -0.000 0.000 0.216 755 N C -1.339 174.245 175.510 0.123 0.000 1.447 755 N CA -0.119 53.035 53.050 0.175 0.000 0.785 755 N CB 1.607 40.206 38.487 0.186 0.000 1.458 755 N HN 0.211 nan 8.380 nan 0.000 0.547 756 V N 0.679 120.662 119.914 0.115 0.000 3.441 756 V HA 0.685 4.805 4.120 -0.000 0.000 0.300 756 V C 1.054 177.225 176.094 0.127 0.000 1.062 756 V CA 1.318 63.673 62.300 0.092 0.000 1.064 756 V CB 1.471 33.333 31.823 0.066 0.000 1.197 756 V HN 0.689 nan 8.190 nan 0.000 0.451 757 A N 0.922 123.807 122.820 0.108 0.000 3.469 757 A HA -0.156 4.164 4.320 -0.000 0.000 0.244 757 A C 0.837 178.484 177.584 0.105 0.000 1.181 757 A CA 1.533 53.654 52.037 0.140 0.000 1.418 757 A CB -1.968 17.178 19.000 0.244 0.000 1.060 757 A HN 1.536 nan 8.150 nan 0.000 0.897 758 Q N -4.260 115.589 119.800 0.081 0.000 2.360 758 Q HA -0.207 4.133 4.340 -0.000 0.000 0.192 758 Q C 0.286 176.339 176.000 0.089 0.000 0.615 758 Q CA 1.835 57.676 55.803 0.064 0.000 1.355 758 Q CB -2.817 25.948 28.738 0.044 0.000 1.324 758 Q HN 1.864 nan 8.270 nan 0.000 0.885 759 C N -1.049 118.327 119.300 0.127 0.000 2.913 759 C HA 0.764 5.224 4.460 -0.000 0.000 0.322 759 C C 0.489 175.587 174.990 0.180 0.000 1.292 759 C CA -1.477 57.634 59.018 0.154 0.000 1.649 759 C CB 1.381 29.243 27.740 0.204 0.000 2.139 759 C HN 0.384 nan 8.230 nan 0.000 0.475 760 N N 1.901 120.716 118.700 0.192 0.000 2.483 760 N HA 0.400 5.140 4.740 -0.000 0.000 0.264 760 N C -0.674 175.023 175.510 0.312 0.000 1.197 760 N CA 0.754 53.935 53.050 0.217 0.000 0.927 760 N CB 0.229 38.829 38.487 0.188 0.000 1.065 760 N HN 0.847 nan 8.380 nan 0.000 0.461 761 M N 2.508 122.238 119.600 0.217 0.000 2.432 761 M HA -0.049 4.431 4.480 -0.000 0.000 0.203 761 M C -1.065 175.316 176.300 0.136 0.000 0.888 761 M CA -0.298 55.078 55.300 0.126 0.000 0.759 761 M CB -0.302 32.344 32.600 0.076 0.000 2.335 761 M HN 0.503 nan 8.290 nan 0.000 0.467 762 T N 3.680 118.315 114.554 0.135 0.000 2.779 762 T HA 0.036 4.386 4.350 -0.000 0.000 0.348 762 T C 1.194 176.006 174.700 0.187 0.000 1.090 762 T CA 0.049 62.261 62.100 0.186 0.000 1.111 762 T CB 0.393 69.374 68.868 0.190 0.000 1.026 762 T HN 0.573 nan 8.240 nan 0.000 0.547 763 K N 1.151 121.654 120.400 0.173 0.000 2.437 763 K HA 0.044 4.364 4.320 -0.000 0.000 0.198 763 K C 0.534 177.209 176.600 0.125 0.000 1.024 763 K CA 0.106 56.462 56.287 0.116 0.000 1.148 763 K CB 0.050 32.579 32.500 0.049 0.000 0.860 763 K HN 0.717 nan 8.250 nan 0.000 0.515 764 D N -0.476 120.042 120.400 0.197 0.000 2.733 764 D HA -0.108 4.532 4.640 -0.000 0.000 0.239 764 D C 1.425 177.913 176.300 0.313 0.000 1.225 764 D CA -0.442 53.679 54.000 0.202 0.000 1.168 764 D CB -0.599 40.309 40.800 0.180 0.000 1.110 764 D HN 0.181 nan 8.370 nan 0.000 0.440 765 W N -0.087 121.275 121.300 0.103 0.000 1.950 765 W HA -0.505 4.155 4.660 0.000 0.000 0.313 765 W C 1.040 177.670 176.519 0.184 0.000 1.846 765 W CA 2.554 59.949 57.345 0.084 0.000 2.129 765 W CB -1.570 27.941 29.460 0.085 0.000 0.935 765 W HN 0.358 nan 8.180 nan 0.000 0.454 766 F N 0.047 119.747 119.950 -0.417 0.000 2.470 766 F HA -0.416 4.111 4.527 -0.000 0.000 0.215 766 F C 1.558 177.071 175.800 -0.479 0.000 1.440 766 F CA 2.992 60.835 58.000 -0.262 0.000 1.990 766 F CB -2.198 36.798 39.000 -0.008 0.000 0.460 766 F HN 0.065 nan 8.300 nan 0.000 0.253 767 L N 0.544 121.379 121.223 -0.648 0.000 2.356 767 L HA 0.292 4.632 4.340 -0.000 0.000 0.241 767 L C 1.849 178.388 176.870 -0.551 0.000 1.242 767 L CA 1.503 55.982 54.840 -0.602 0.000 0.820 767 L CB -0.604 41.250 42.059 -0.341 0.000 1.124 767 L HN 1.279 nan 8.230 nan 0.000 0.584 768 V N -3.594 116.147 119.914 -0.288 0.000 0.412 768 V HA -0.225 3.895 4.120 -0.000 0.000 0.092 768 V C 0.930 177.019 176.094 -0.008 0.000 2.659 768 V CA 0.507 62.720 62.300 -0.145 0.000 3.772 768 V CB -1.341 30.362 31.823 -0.199 0.000 1.034 768 V HN 0.892 nan 8.190 nan 0.000 1.088 769 Q N 1.129 120.962 119.800 0.055 0.000 2.282 769 Q HA 0.367 4.707 4.340 -0.000 0.000 0.206 769 Q C 1.653 177.787 176.000 0.223 0.000 0.878 769 Q CA 1.166 57.036 55.803 0.112 0.000 0.944 769 Q CB 0.756 29.566 28.738 0.119 0.000 1.100 769 Q HN 0.828 nan 8.270 nan 0.000 0.509 770 M N -0.141 119.497 119.600 0.063 0.000 2.935 770 M HA 0.140 4.620 4.480 -0.000 0.000 0.213 770 M C 2.055 178.303 176.300 -0.086 0.000 1.427 770 M CA 0.167 55.455 55.300 -0.020 0.000 1.367 770 M CB -0.735 31.619 32.600 -0.411 0.000 1.038 770 M HN 0.072 nan 8.290 nan 0.000 0.547 771 L N 0.922 122.020 121.223 -0.208 0.000 2.191 771 L HA 0.040 4.380 4.340 -0.000 0.000 0.212 771 L C 0.399 177.224 176.870 -0.074 0.000 1.103 771 L CA 0.773 55.509 54.840 -0.173 0.000 0.769 771 L CB -0.248 41.702 42.059 -0.182 0.000 0.908 771 L HN 0.359 nan 8.230 nan 0.000 0.438 772 A N -0.030 122.764 122.820 -0.044 0.000 2.323 772 A HA 0.515 4.835 4.320 -0.000 0.000 0.305 772 A C 0.059 177.612 177.584 -0.051 0.000 1.275 772 A CA -0.279 51.748 52.037 -0.017 0.000 0.804 772 A CB 1.094 20.110 19.000 0.027 0.000 1.152 772 A HN 0.430 nan 8.150 nan 0.000 0.487 773 N N 0.543 119.199 118.700 -0.073 0.000 2.459 773 N HA -0.181 4.559 4.740 -0.000 0.000 0.252 773 N C 0.158 175.579 175.510 -0.148 0.000 1.651 773 N CA 1.225 54.163 53.050 -0.187 0.000 3.277 773 N CB -0.792 37.489 38.487 -0.344 0.000 1.520 773 N HN 0.415 nan 8.380 nan 0.000 1.135 774 Y N 2.106 122.422 120.300 0.027 0.000 2.497 774 Y HA 0.468 5.018 4.550 -0.000 0.000 0.265 774 Y C 0.433 176.303 175.900 -0.049 0.000 1.111 774 Y CA 0.433 58.528 58.100 -0.009 0.000 1.288 774 Y CB -0.035 38.405 38.460 -0.033 0.000 1.082 774 Y HN 0.225 nan 8.280 nan 0.000 0.536 775 N N 1.233 119.975 118.700 0.071 0.000 2.681 775 N HA -0.186 4.554 4.740 -0.000 0.000 0.259 775 N C -0.782 174.673 175.510 -0.091 0.000 1.066 775 N CA 0.780 53.815 53.050 -0.025 0.000 0.717 775 N CB -1.339 37.140 38.487 -0.013 0.000 0.885 775 N HN 0.356 nan 8.380 nan 0.000 0.547 776 I N -0.143 120.350 120.570 -0.128 0.000 2.886 776 I HA 0.188 4.358 4.170 -0.000 0.000 0.311 776 I C 1.727 177.613 176.117 -0.385 0.000 1.287 776 I CA -0.470 60.668 61.300 -0.270 0.000 0.995 776 I CB 0.410 38.308 38.000 -0.169 0.000 1.962 776 I HN 0.208 nan 8.210 nan 0.000 0.586 777 G N 2.373 110.902 108.800 -0.451 0.000 2.713 777 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.170 777 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.170 777 G C 0.462 175.171 174.900 -0.319 0.000 1.724 777 G CA 0.518 45.301 45.100 -0.528 0.000 0.892 777 G HN 0.570 nan 8.290 nan 0.000 0.376 778 Y N -0.246 120.075 120.300 0.034 0.000 2.625 778 Y HA 0.555 5.105 4.550 -0.000 0.000 0.285 778 Y C 0.576 176.455 175.900 -0.036 0.000 1.168 778 Y CA -0.539 57.616 58.100 0.092 0.000 1.250 778 Y CB 0.070 38.599 38.460 0.115 0.000 1.130 778 Y HN 0.149 nan 8.280 nan 0.000 0.526 779 Q N 1.266 120.907 119.800 -0.265 0.000 2.443 779 Q HA 0.462 4.802 4.340 -0.000 0.000 0.241 779 Q C -0.654 175.131 176.000 -0.358 0.000 0.880 779 Q CA 0.275 55.958 55.803 -0.199 0.000 0.974 779 Q CB 1.738 30.445 28.738 -0.052 0.000 1.482 779 Q HN 0.672 nan 8.270 nan 0.000 0.448 780 G N 2.405 111.013 108.800 -0.321 0.000 2.650 780 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.686 780 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.686 780 G C -0.952 173.703 174.900 -0.407 0.000 1.205 780 G CA -0.028 44.981 45.100 -0.152 0.000 0.781 780 G HN 0.490 nan 8.290 nan 0.000 0.648 781 F N -0.295 119.752 119.950 0.162 0.000 2.201 781 F HA 0.176 4.703 4.527 0.000 0.000 0.383 781 F C 1.785 177.404 175.800 -0.301 0.000 0.855 781 F CA 0.602 58.559 58.000 -0.073 0.000 0.989 781 F CB -1.193 37.814 39.000 0.011 0.000 1.171 781 F HN 1.025 nan 8.300 nan 0.000 0.591 782 Y N 1.858 122.205 120.300 0.080 0.000 2.020 782 Y HA -0.242 4.308 4.550 -0.000 0.000 0.330 782 Y C 0.375 176.190 175.900 -0.141 0.000 1.033 782 Y CA -0.028 58.049 58.100 -0.038 0.000 1.319 782 Y CB -1.233 37.196 38.460 -0.053 0.000 1.090 782 Y HN 0.129 nan 8.280 nan 0.000 0.841 783 I N 2.023 122.528 120.570 -0.109 0.000 2.478 783 I HA 0.331 4.501 4.170 -0.000 0.000 0.287 783 I C -2.232 173.793 176.117 -0.153 0.000 1.042 783 I CA -2.517 58.615 61.300 -0.280 0.000 1.067 783 I CB 1.751 39.616 38.000 -0.225 0.000 1.233 783 I HN 0.506 nan 8.210 nan 0.000 0.431 784 P HA 0.117 nan 4.420 nan 0.000 0.317 784 P C -0.916 176.335 177.300 -0.082 0.000 1.427 784 P CA 0.436 63.449 63.100 -0.145 0.000 0.820 784 P CB 0.379 31.936 31.700 -0.239 0.000 1.894 785 E N -2.412 117.718 120.200 -0.118 0.000 2.415 785 E HA 0.400 4.750 4.350 -0.000 0.000 0.255 785 E C 0.856 177.392 176.600 -0.107 0.000 0.936 785 E CA -0.624 55.676 56.400 -0.165 0.000 0.876 785 E CB -0.117 29.341 29.700 -0.403 0.000 1.696 785 E HN -0.105 nan 8.360 nan 0.000 0.435 786 S N -0.639 115.001 115.700 -0.101 0.000 2.470 786 S HA -0.043 4.427 4.470 -0.000 0.000 0.225 786 S C 0.632 175.284 174.600 0.087 0.000 1.006 786 S CA 0.627 58.836 58.200 0.015 0.000 0.934 786 S CB -0.098 63.137 63.200 0.058 0.000 0.778 786 S HN 0.517 nan 8.310 nan 0.000 0.517 787 Y N 0.533 120.866 120.300 0.054 0.000 2.781 787 Y HA 0.665 5.215 4.550 -0.000 0.000 0.326 787 Y C 0.639 176.582 175.900 0.072 0.000 1.019 787 Y CA -0.619 57.514 58.100 0.054 0.000 1.372 787 Y CB -0.100 38.383 38.460 0.039 0.000 1.260 787 Y HN 0.045 nan 8.280 nan 0.000 0.546 788 K N -0.705 119.741 120.400 0.077 0.000 2.765 788 K HA 0.005 4.325 4.320 -0.000 0.000 0.168 788 K C -0.783 175.932 176.600 0.191 0.000 1.849 788 K CA 0.078 56.430 56.287 0.110 0.000 1.350 788 K CB 0.186 32.700 32.500 0.022 0.000 2.021 788 K HN 0.183 nan 8.250 nan 0.000 0.603 789 D N 2.313 122.801 120.400 0.147 0.000 2.380 789 D HA 0.128 4.768 4.640 -0.000 0.000 0.230 789 D C -0.878 175.579 176.300 0.262 0.000 1.154 789 D CA -0.218 53.937 54.000 0.257 0.000 0.859 789 D CB 0.708 41.551 40.800 0.072 0.000 1.045 789 D HN 0.084 nan 8.370 nan 0.000 0.495 790 R N 3.795 124.494 120.500 0.332 0.000 2.349 790 R HA 0.187 4.527 4.340 -0.000 0.000 0.299 790 R C 1.381 177.788 176.300 0.180 0.000 1.027 790 R CA -0.596 55.635 56.100 0.218 0.000 0.958 790 R CB 0.333 30.754 30.300 0.202 0.000 1.047 790 R HN 0.535 nan 8.270 nan 0.000 0.468 791 M N 2.180 121.804 119.600 0.040 0.000 2.758 791 M HA -0.383 4.097 4.480 -0.000 0.000 0.262 791 M C 0.885 177.090 176.300 -0.158 0.000 1.052 791 M CA 2.326 57.525 55.300 -0.169 0.000 1.059 791 M CB -0.295 32.036 32.600 -0.447 0.000 1.265 791 M HN 0.622 nan 8.290 nan 0.000 0.486 792 Y N -0.338 119.999 120.300 0.062 0.000 2.200 792 Y HA -0.144 4.406 4.550 -0.000 0.000 0.290 792 Y C 2.672 178.601 175.900 0.047 0.000 1.137 792 Y CA 1.244 59.374 58.100 0.051 0.000 1.163 792 Y CB -1.177 37.302 38.460 0.033 0.000 0.988 792 Y HN 0.365 nan 8.280 nan 0.000 0.518 793 S N -0.191 115.635 115.700 0.211 0.000 2.427 793 S HA -0.242 4.228 4.470 -0.000 0.000 0.261 793 S C 0.266 174.977 174.600 0.185 0.000 1.091 793 S CA 1.935 60.174 58.200 0.065 0.000 1.251 793 S CB -0.400 62.880 63.200 0.133 0.000 1.160 793 S HN 0.401 nan 8.310 nan 0.000 0.436 794 F N -3.783 116.351 119.950 0.307 0.000 3.902 794 F HA 0.300 4.827 4.527 -0.000 0.000 0.313 794 F C 0.047 176.106 175.800 0.433 0.000 0.939 794 F CA -0.621 57.615 58.000 0.394 0.000 0.790 794 F CB -0.419 38.928 39.000 0.579 0.000 1.773 794 F HN 0.108 nan 8.300 nan 0.000 0.444 795 F N 1.492 121.763 119.950 0.536 0.000 2.530 795 F HA -0.428 4.099 4.527 -0.000 0.000 0.750 795 F C 2.040 177.938 175.800 0.164 0.000 0.487 795 F CA 3.267 61.333 58.000 0.110 0.000 0.748 795 F CB -1.512 37.478 39.000 -0.016 0.000 1.598 795 F HN 0.619 nan 8.300 nan 0.000 0.277 796 R N 1.258 121.439 120.500 -0.531 0.000 2.338 796 R HA -0.253 4.087 4.340 -0.000 0.000 0.272 796 R C 1.469 177.613 176.300 -0.260 0.000 1.180 796 R CA 2.240 57.946 56.100 -0.657 0.000 1.020 796 R CB -0.570 29.503 30.300 -0.378 0.000 0.885 796 R HN 0.659 nan 8.270 nan 0.000 0.488 797 N N -0.926 117.790 118.700 0.026 0.000 2.223 797 N HA -0.043 4.697 4.740 -0.000 0.000 0.258 797 N C 0.421 176.100 175.510 0.282 0.000 1.251 797 N CA -0.026 53.126 53.050 0.171 0.000 0.894 797 N CB -0.945 37.686 38.487 0.240 0.000 1.204 797 N HN -0.031 nan 8.380 nan 0.000 0.398 798 F N 1.510 121.628 119.950 0.279 0.000 2.384 798 F HA -0.221 4.306 4.527 -0.000 0.000 0.281 798 F C -0.110 175.835 175.800 0.242 0.000 0.890 798 F CA 0.914 59.092 58.000 0.297 0.000 1.128 798 F CB 0.132 39.398 39.000 0.442 0.000 0.888 798 F HN 0.324 nan 8.300 nan 0.000 0.641 799 Q N 4.128 123.449 119.800 -0.798 0.000 2.872 799 Q HA 0.181 4.521 4.340 -0.000 0.000 0.221 799 Q C -2.266 173.456 176.000 -0.464 0.000 0.998 799 Q CA -1.274 54.057 55.803 -0.787 0.000 1.078 799 Q CB 1.199 29.785 28.738 -0.254 0.000 1.890 799 Q HN 0.426 nan 8.270 nan 0.000 0.512 800 P HA -0.060 nan 4.420 nan 0.000 0.287 800 P C -0.660 176.636 177.300 -0.006 0.000 1.744 800 P CA 0.404 63.483 63.100 -0.034 0.000 1.448 800 P CB 0.333 32.031 31.700 -0.004 0.000 0.907 801 M N -2.492 117.121 119.600 0.021 0.000 2.432 801 M HA 0.118 4.598 4.480 -0.000 0.000 0.203 801 M C -1.804 174.554 176.300 0.097 0.000 0.888 801 M CA 0.052 55.362 55.300 0.017 0.000 0.759 801 M CB 0.270 32.788 32.600 -0.137 0.000 2.335 801 M HN 0.204 nan 8.290 nan 0.000 0.467 802 S N 2.545 118.377 115.700 0.220 0.000 2.704 802 S HA 0.996 5.466 4.470 -0.000 0.000 0.296 802 S C -1.127 173.689 174.600 0.360 0.000 1.138 802 S CA -0.827 57.536 58.200 0.272 0.000 0.875 802 S CB 3.002 66.287 63.200 0.143 0.000 1.151 802 S HN 0.762 nan 8.310 nan 0.000 0.500 803 R N 0.404 121.025 120.500 0.201 0.000 2.829 803 R HA 0.324 4.664 4.340 -0.000 0.000 0.284 803 R C -2.510 173.770 176.300 -0.034 0.000 1.006 803 R CA -0.574 55.517 56.100 -0.016 0.000 0.844 803 R CB 0.801 30.877 30.300 -0.374 0.000 1.309 803 R HN 0.760 nan 8.270 nan 0.000 0.494 804 Q N 1.340 121.079 119.800 -0.103 0.000 2.263 804 Q HA 0.558 4.898 4.340 -0.000 0.000 0.262 804 Q C -1.247 174.676 176.000 -0.129 0.000 0.984 804 Q CA -0.978 54.771 55.803 -0.091 0.000 0.813 804 Q CB 2.411 31.104 28.738 -0.075 0.000 1.299 804 Q HN 0.473 nan 8.270 nan 0.000 0.428 805 V N -0.337 119.503 119.914 -0.122 0.000 3.240 805 V HA 0.815 4.935 4.120 -0.000 0.000 0.306 805 V C 0.454 176.442 176.094 -0.178 0.000 1.227 805 V CA -0.562 61.656 62.300 -0.136 0.000 1.047 805 V CB 1.044 32.811 31.823 -0.093 0.000 1.203 805 V HN 0.798 nan 8.190 nan 0.000 0.471 806 V N -1.487 118.299 119.914 -0.214 0.000 2.785 806 V HA 0.559 4.679 4.120 -0.000 0.000 0.300 806 V C -0.212 175.692 176.094 -0.316 0.000 1.062 806 V CA -0.184 61.907 62.300 -0.348 0.000 1.029 806 V CB 1.118 32.644 31.823 -0.496 0.000 1.024 806 V HN 0.899 nan 8.190 nan 0.000 0.477 807 D N 2.160 122.357 120.400 -0.337 0.000 2.304 807 D HA 0.280 4.920 4.640 -0.000 0.000 0.250 807 D C 0.349 176.478 176.300 -0.284 0.000 1.107 807 D CA -0.057 53.810 54.000 -0.221 0.000 0.885 807 D CB 1.827 42.560 40.800 -0.111 0.000 1.192 807 D HN 0.764 nan 8.370 nan 0.000 0.436 808 D N 0.273 120.483 120.400 -0.316 0.000 2.144 808 D HA -0.086 4.554 4.640 -0.000 0.000 0.207 808 D C 1.837 178.051 176.300 -0.144 0.000 0.970 808 D CA 1.516 55.273 54.000 -0.405 0.000 0.853 808 D CB -0.311 40.377 40.800 -0.187 0.000 1.007 808 D HN 0.530 nan 8.370 nan 0.000 0.469 809 T N -0.232 114.280 114.554 -0.069 0.000 2.472 809 T HA -0.172 4.178 4.350 -0.000 0.000 0.249 809 T C 1.528 176.222 174.700 -0.011 0.000 1.205 809 T CA 0.873 62.959 62.100 -0.023 0.000 1.268 809 T CB -0.467 68.391 68.868 -0.017 0.000 0.872 809 T HN -0.107 nan 8.240 nan 0.000 0.393 810 K N 1.006 121.407 120.400 0.002 0.000 2.827 810 K HA 0.224 4.544 4.320 -0.000 0.000 0.222 810 K C -0.826 175.805 176.600 0.053 0.000 1.114 810 K CA -0.550 55.743 56.287 0.011 0.000 1.206 810 K CB -0.401 32.103 32.500 0.007 0.000 1.035 810 K HN 0.501 nan 8.250 nan 0.000 0.464 811 Y N 0.897 121.147 120.300 -0.083 0.000 2.320 811 Y HA 0.216 4.766 4.550 -0.000 0.000 0.334 811 Y C 0.660 176.528 175.900 -0.054 0.000 1.055 811 Y CA -1.484 56.559 58.100 -0.096 0.000 1.143 811 Y CB 0.827 39.185 38.460 -0.169 0.000 1.193 811 Y HN -0.073 nan 8.280 nan 0.000 0.477 812 K N 2.771 123.024 120.400 -0.246 0.000 2.524 812 K HA -0.233 4.087 4.320 -0.000 0.000 0.225 812 K C -0.493 175.822 176.600 -0.474 0.000 0.687 812 K CA 2.165 58.249 56.287 -0.339 0.000 0.875 812 K CB -0.867 31.529 32.500 -0.173 0.000 0.336 812 K HN 0.825 nan 8.250 nan 0.000 1.012 813 D N 0.016 120.060 120.400 -0.593 0.000 2.453 813 D HA 0.099 4.739 4.640 -0.000 0.000 0.238 813 D C -0.755 175.373 176.300 -0.287 0.000 1.088 813 D CA -0.359 53.445 54.000 -0.328 0.000 0.854 813 D CB 0.604 41.318 40.800 -0.144 0.000 1.076 813 D HN 0.131 nan 8.370 nan 0.000 0.533 814 Y N 2.261 122.373 120.300 -0.315 0.000 2.335 814 Y HA 0.147 4.697 4.550 -0.000 0.000 0.339 814 Y C -0.384 175.507 175.900 -0.015 0.000 0.987 814 Y CA -0.476 57.547 58.100 -0.128 0.000 1.140 814 Y CB 1.010 39.431 38.460 -0.064 0.000 1.173 814 Y HN 0.153 nan 8.280 nan 0.000 0.486 815 Q N 6.443 126.048 119.800 -0.326 0.000 2.363 815 Q HA 0.266 4.606 4.340 -0.000 0.000 0.265 815 Q C -0.209 175.490 176.000 -0.501 0.000 1.032 815 Q CA -0.715 54.896 55.803 -0.320 0.000 0.746 815 Q CB 2.181 30.851 28.738 -0.113 0.000 1.237 815 Q HN 0.756 nan 8.270 nan 0.000 0.475 816 Q N 0.371 119.846 119.800 -0.541 0.000 3.244 816 Q HA 0.172 4.512 4.340 -0.000 0.000 0.189 816 Q C 0.069 175.970 176.000 -0.164 0.000 1.197 816 Q CA 0.325 55.900 55.803 -0.381 0.000 1.312 816 Q CB 0.404 29.024 28.738 -0.196 0.000 1.394 816 Q HN 0.399 nan 8.270 nan 0.000 0.724 817 V N -2.297 117.581 119.914 -0.059 0.000 3.164 817 V HA 0.597 4.717 4.120 -0.000 0.000 0.313 817 V C 0.172 176.287 176.094 0.035 0.000 1.188 817 V CA 0.205 62.504 62.300 -0.000 0.000 1.058 817 V CB 2.101 33.962 31.823 0.063 0.000 1.110 817 V HN 0.891 nan 8.190 nan 0.000 0.453 818 G N 0.376 109.268 108.800 0.153 0.000 3.695 818 G HA2 0.273 4.233 3.960 -0.000 0.000 0.277 818 G HA3 0.273 4.233 3.960 -0.000 0.000 0.277 818 G C 0.737 175.741 174.900 0.173 0.000 1.001 818 G CA 0.568 45.841 45.100 0.289 0.000 0.837 818 G HN 1.507 nan 8.290 nan 0.000 0.492 819 I N -2.533 118.092 120.570 0.091 0.000 3.321 819 I HA -0.326 3.844 4.170 -0.000 0.000 0.235 819 I C 0.784 176.883 176.117 -0.030 0.000 0.517 819 I CA 1.563 62.872 61.300 0.016 0.000 1.380 819 I CB -1.295 36.722 38.000 0.029 0.000 1.078 819 I HN 0.281 nan 8.210 nan 0.000 0.355 820 L N -1.038 120.138 121.223 -0.079 0.000 2.685 820 L HA 0.235 4.575 4.340 -0.000 0.000 0.235 820 L C 1.086 177.815 176.870 -0.235 0.000 1.070 820 L CA 0.092 54.821 54.840 -0.184 0.000 0.888 820 L CB 0.091 41.972 42.059 -0.296 0.000 1.203 820 L HN 0.419 nan 8.230 nan 0.000 0.499 821 H N 0.556 119.609 119.070 -0.029 0.000 2.930 821 H HA 0.135 4.691 4.556 -0.000 0.000 0.307 821 H C -0.429 174.879 175.328 -0.034 0.000 1.247 821 H CA 0.077 56.115 56.048 -0.018 0.000 1.181 821 H CB -0.209 29.542 29.762 -0.018 0.000 1.390 821 H HN 0.215 nan 8.280 nan 0.000 0.549 822 Q N 1.690 121.479 119.800 -0.018 0.000 2.508 822 Q HA 0.136 4.476 4.340 -0.000 0.000 0.247 822 Q C -0.698 175.270 176.000 -0.054 0.000 1.047 822 Q CA -0.516 55.208 55.803 -0.132 0.000 0.783 822 Q CB 0.812 29.371 28.738 -0.298 0.000 1.172 822 Q HN 0.583 nan 8.270 nan 0.000 0.515 823 H N 1.956 120.946 119.070 -0.134 0.000 2.529 823 H HA 0.618 5.174 4.556 -0.000 0.000 0.348 823 H C -1.510 173.688 175.328 -0.217 0.000 1.079 823 H CA -0.615 55.349 56.048 -0.139 0.000 1.198 823 H CB 1.576 31.286 29.762 -0.086 0.000 1.521 823 H HN 0.608 nan 8.280 nan 0.000 0.514 824 N N 3.649 122.198 118.700 -0.252 0.000 2.504 824 N HA 0.039 4.779 4.740 -0.000 0.000 0.268 824 N C -1.061 174.363 175.510 -0.142 0.000 1.184 824 N CA -0.577 52.272 53.050 -0.335 0.000 0.875 824 N CB 1.167 39.304 38.487 -0.584 0.000 1.630 824 N HN 0.785 nan 8.380 nan 0.000 0.486 825 N N 0.651 119.224 118.700 -0.212 0.000 2.714 825 N HA -0.158 4.582 4.740 -0.000 0.000 0.253 825 N C -0.908 174.223 175.510 -0.631 0.000 1.024 825 N CA 0.617 53.407 53.050 -0.434 0.000 0.726 825 N CB -1.249 37.255 38.487 0.029 0.000 0.908 825 N HN 0.403 nan 8.380 nan 0.000 0.542 826 S N -0.458 114.957 115.700 -0.475 0.000 2.507 826 S HA 0.340 4.810 4.470 -0.000 0.000 0.299 826 S C 1.464 175.834 174.600 -0.385 0.000 1.214 826 S CA 1.045 59.102 58.200 -0.239 0.000 1.137 826 S CB -0.286 62.917 63.200 0.005 0.000 1.009 826 S HN 0.860 nan 8.310 nan 0.000 0.512 827 G N 4.210 112.902 108.800 -0.180 0.000 2.179 827 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.220 827 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.220 827 G C 0.360 175.429 174.900 0.281 0.000 0.990 827 G CA 0.183 45.288 45.100 0.009 0.000 0.646 827 G HN 0.655 nan 8.290 nan 0.000 0.517 828 F N 0.132 120.117 119.950 0.057 0.000 2.678 828 F HA 0.518 5.045 4.527 -0.000 0.000 0.291 828 F C 1.314 177.152 175.800 0.063 0.000 1.123 828 F CA -0.943 57.091 58.000 0.056 0.000 1.395 828 F CB 0.039 39.076 39.000 0.062 0.000 1.121 828 F HN 0.075 nan 8.300 nan 0.000 0.592 829 V N 0.432 120.458 119.914 0.186 0.000 2.417 829 V HA 0.636 4.756 4.120 -0.000 0.000 0.291 829 V C 0.899 177.048 176.094 0.092 0.000 1.024 829 V CA -1.033 61.342 62.300 0.125 0.000 0.861 829 V CB 0.908 32.789 31.823 0.097 0.000 0.985 829 V HN 0.294 nan 8.190 nan 0.000 0.436 830 G N 3.191 112.046 108.800 0.091 0.000 2.378 830 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.334 830 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.334 830 G C 0.182 175.148 174.900 0.110 0.000 1.339 830 G CA 0.001 45.153 45.100 0.087 0.000 1.158 830 G HN 0.786 nan 8.290 nan 0.000 0.636 831 Y N 0.475 120.747 120.300 -0.046 0.000 2.666 831 Y HA 0.088 4.638 4.550 0.000 0.000 0.337 831 Y C 1.539 177.404 175.900 -0.058 0.000 1.188 831 Y CA -0.257 57.800 58.100 -0.073 0.000 1.952 831 Y CB -1.285 37.110 38.460 -0.108 0.000 1.950 831 Y HN 0.432 nan 8.280 nan 0.000 0.411 832 L N 0.805 122.133 121.223 0.175 0.000 4.769 832 L HA -0.365 3.975 4.340 -0.000 0.000 0.446 832 L C 0.469 177.359 176.870 0.033 0.000 1.100 832 L CA 1.379 56.274 54.840 0.092 0.000 0.941 832 L CB -1.238 40.880 42.059 0.098 0.000 1.821 832 L HN 0.681 nan 8.230 nan 0.000 0.948 833 A N -2.958 119.866 122.820 0.007 0.000 2.527 833 A HA 0.772 5.092 4.320 -0.000 0.000 0.293 833 A C -1.895 175.694 177.584 0.008 0.000 1.117 833 A CA -0.814 51.204 52.037 -0.032 0.000 0.723 833 A CB 1.080 19.987 19.000 -0.155 0.000 1.313 833 A HN -0.140 nan 8.150 nan 0.000 0.411 834 P HA -0.208 nan 4.420 nan 0.000 0.211 834 P C 0.419 177.738 177.300 0.032 0.000 0.948 834 P CA 2.190 65.325 63.100 0.059 0.000 1.010 834 P CB -0.877 30.837 31.700 0.023 0.000 0.737 835 T N 1.580 116.131 114.554 -0.005 0.000 2.196 835 T HA -0.167 4.183 4.350 -0.000 0.000 0.176 835 T C 0.925 175.644 174.700 0.030 0.000 1.047 835 T CA 0.884 62.983 62.100 -0.001 0.000 1.355 835 T CB -1.168 67.684 68.868 -0.027 0.000 0.970 835 T HN 0.491 nan 8.240 nan 0.000 0.419 836 M N 1.921 121.540 119.600 0.033 0.000 7.318 836 M HA -0.357 4.123 4.480 -0.000 0.000 0.267 836 M C 0.922 177.265 176.300 0.071 0.000 0.480 836 M CA 1.705 57.035 55.300 0.049 0.000 1.311 836 M CB 0.167 32.792 32.600 0.042 0.000 0.421 836 M HN 0.824 nan 8.290 nan 0.000 0.250 837 R N 0.939 121.488 120.500 0.081 0.000 2.480 837 R HA 0.292 4.632 4.340 -0.000 0.000 0.277 837 R C -0.339 176.016 176.300 0.091 0.000 1.008 837 R CA 0.336 56.505 56.100 0.115 0.000 1.090 837 R CB -0.635 29.752 30.300 0.145 0.000 1.234 837 R HN 0.642 nan 8.270 nan 0.000 0.549 838 E N 1.079 121.313 120.200 0.058 0.000 3.142 838 E HA 0.014 4.364 4.350 -0.000 0.000 0.276 838 E C 0.454 177.060 176.600 0.010 0.000 0.887 838 E CA 0.876 57.292 56.400 0.026 0.000 0.975 838 E CB -0.084 29.626 29.700 0.016 0.000 0.937 838 E HN 0.547 nan 8.360 nan 0.000 0.516 839 G N 3.016 111.810 108.800 -0.010 0.000 2.568 839 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.222 839 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.222 839 G C -0.277 174.618 174.900 -0.008 0.000 1.321 839 G CA 0.140 45.221 45.100 -0.032 0.000 0.893 839 G HN 0.844 nan 8.290 nan 0.000 0.569 840 Q N -0.765 119.010 119.800 -0.042 0.000 2.926 840 Q HA 0.848 5.188 4.340 -0.000 0.000 0.186 840 Q C 0.187 176.179 176.000 -0.013 0.000 1.066 840 Q CA -0.351 55.436 55.803 -0.027 0.000 0.821 840 Q CB 0.957 29.628 28.738 -0.111 0.000 2.959 840 Q HN 2.125 nan 8.270 nan 0.000 0.406 841 A N -0.494 122.315 122.820 -0.018 0.000 2.539 841 A HA 0.731 5.051 4.320 -0.000 0.000 0.296 841 A C -1.971 175.676 177.584 0.106 0.000 1.073 841 A CA -0.467 51.553 52.037 -0.027 0.000 0.700 841 A CB 1.771 20.856 19.000 0.141 0.000 1.296 841 A HN 0.527 nan 8.150 nan 0.000 0.405 842 Y N 0.416 120.694 120.300 -0.037 0.000 2.264 842 Y HA 0.358 4.908 4.550 -0.000 0.000 0.315 842 Y C -2.628 173.308 175.900 0.060 0.000 1.262 842 Y CA -2.153 55.970 58.100 0.038 0.000 1.176 842 Y CB 1.387 39.875 38.460 0.047 0.000 1.283 842 Y HN 0.581 nan 8.280 nan 0.000 0.405 843 P HA -0.054 nan 4.420 nan 0.000 0.264 843 P C -0.172 177.008 177.300 -0.199 0.000 1.139 843 P CA 1.321 64.360 63.100 -0.102 0.000 0.754 843 P CB 0.373 31.980 31.700 -0.155 0.000 0.737 844 A N 3.408 126.066 122.820 -0.271 0.000 2.667 844 A HA -0.207 4.113 4.320 -0.000 0.000 0.225 844 A C 1.353 178.623 177.584 -0.523 0.000 1.190 844 A CA 1.251 53.023 52.037 -0.442 0.000 0.961 844 A CB -0.167 18.640 19.000 -0.321 0.000 1.011 844 A HN 0.680 nan 8.150 nan 0.000 0.503 845 N N -1.751 116.577 118.700 -0.620 0.000 2.218 845 N HA 0.237 4.977 4.740 -0.000 0.000 0.224 845 N C -0.852 174.531 175.510 -0.211 0.000 1.248 845 N CA 0.198 53.020 53.050 -0.380 0.000 0.875 845 N CB 0.420 38.735 38.487 -0.287 0.000 1.165 845 N HN 0.566 nan 8.380 nan 0.000 0.485 846 F N 0.981 120.647 119.950 -0.473 0.000 2.540 846 F HA 0.585 5.112 4.527 -0.000 0.000 0.317 846 F C -2.021 173.572 175.800 -0.346 0.000 1.104 846 F CA -1.795 55.967 58.000 -0.397 0.000 0.913 846 F CB 2.277 40.988 39.000 -0.480 0.000 1.170 846 F HN -0.080 nan 8.300 nan 0.000 0.450 847 P HA 0.279 nan 4.420 nan 0.000 0.299 847 P C -1.612 175.402 177.300 -0.478 0.000 1.363 847 P CA 0.257 62.673 63.100 -1.141 0.000 0.837 847 P CB 0.758 31.704 31.700 -1.257 0.000 2.115 848 Y N -1.424 118.675 120.300 -0.335 0.000 2.634 848 Y HA 0.521 5.071 4.550 -0.000 0.000 0.340 848 Y C -2.193 173.608 175.900 -0.165 0.000 1.058 848 Y CA -2.051 55.944 58.100 -0.174 0.000 1.081 848 Y CB 0.934 39.335 38.460 -0.099 0.000 1.295 848 Y HN 0.097 nan 8.280 nan 0.000 0.487 849 P HA 0.342 nan 4.420 nan 0.000 0.291 849 P C -0.219 177.056 177.300 -0.042 0.000 1.378 849 P CA -0.041 63.070 63.100 0.018 0.000 0.853 849 P CB 1.141 32.862 31.700 0.034 0.000 1.002 850 L N 2.875 124.055 121.223 -0.072 0.000 2.062 850 L HA -0.012 4.328 4.340 -0.000 0.000 0.202 850 L C 1.584 178.404 176.870 -0.082 0.000 1.079 850 L CA 1.209 55.988 54.840 -0.102 0.000 0.755 850 L CB -0.287 41.708 42.059 -0.106 0.000 0.913 850 L HN 0.300 nan 8.230 nan 0.000 0.445 851 I N -2.635 117.898 120.570 -0.062 0.000 5.537 851 I HA 0.569 4.739 4.170 -0.000 0.000 0.170 851 I C 1.471 177.566 176.117 -0.036 0.000 1.303 851 I CA -0.004 61.267 61.300 -0.048 0.000 1.660 851 I CB -1.059 36.917 38.000 -0.040 0.000 1.514 851 I HN 0.227 nan 8.210 nan 0.000 0.594 852 G N 0.291 109.073 108.800 -0.029 0.000 2.591 852 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.298 852 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.298 852 G C 0.283 175.170 174.900 -0.020 0.000 1.195 852 G CA 0.523 45.609 45.100 -0.023 0.000 0.989 852 G HN 0.661 nan 8.290 nan 0.000 0.551 853 K N 1.740 122.130 120.400 -0.017 0.000 3.045 853 K HA 0.519 4.839 4.320 -0.000 0.000 0.214 853 K C -0.849 175.744 176.600 -0.013 0.000 1.213 853 K CA 0.348 56.626 56.287 -0.014 0.000 1.111 853 K CB 0.277 32.771 32.500 -0.010 0.000 1.454 853 K HN 0.538 nan 8.250 nan 0.000 0.498 854 T N 0.195 114.738 114.554 -0.019 0.000 4.349 854 T HA 0.090 4.440 4.350 -0.000 0.000 0.404 854 T C -1.481 173.195 174.700 -0.039 0.000 0.993 854 T CA -0.755 61.334 62.100 -0.018 0.000 1.025 854 T CB 1.045 69.910 68.868 -0.004 0.000 1.219 854 T HN 0.254 nan 8.240 nan 0.000 0.451 855 A N 2.792 125.584 122.820 -0.048 0.000 2.341 855 A HA 0.649 4.969 4.320 -0.000 0.000 0.326 855 A C 0.787 178.295 177.584 -0.126 0.000 1.402 855 A CA -0.624 51.364 52.037 -0.082 0.000 0.957 855 A CB -0.057 18.902 19.000 -0.068 0.000 1.151 855 A HN 1.298 nan 8.150 nan 0.000 0.533 856 V N 0.873 120.664 119.914 -0.205 0.000 2.153 856 V HA 0.264 4.384 4.120 -0.000 0.000 0.250 856 V C -0.503 175.218 176.094 -0.623 0.000 1.334 856 V CA -0.758 61.301 62.300 -0.401 0.000 1.249 856 V CB -1.532 30.020 31.823 -0.452 0.000 1.371 856 V HN 0.787 nan 8.190 nan 0.000 0.498 857 D N 3.485 123.613 120.400 -0.453 0.000 7.152 857 D HA -0.157 4.483 4.640 -0.000 0.000 0.171 857 D C 0.832 176.889 176.300 -0.404 0.000 1.168 857 D CA 1.426 55.204 54.000 -0.369 0.000 0.899 857 D CB -0.277 40.365 40.800 -0.263 0.000 1.500 857 D HN 0.852 nan 8.370 nan 0.000 0.850 858 S N 1.131 116.675 115.700 -0.259 0.000 2.521 858 S HA 0.845 5.315 4.470 -0.000 0.000 0.278 858 S C 0.575 175.089 174.600 -0.144 0.000 1.140 858 S CA -0.883 57.190 58.200 -0.211 0.000 1.028 858 S CB 1.460 64.560 63.200 -0.167 0.000 1.203 858 S HN 0.531 nan 8.310 nan 0.000 0.491 859 I N -0.795 119.712 120.570 -0.105 0.000 3.069 859 I HA 0.201 4.371 4.170 -0.000 0.000 0.321 859 I C -1.547 174.545 176.117 -0.041 0.000 1.566 859 I CA -0.596 60.663 61.300 -0.068 0.000 0.924 859 I CB 1.504 39.464 38.000 -0.067 0.000 1.258 859 I HN 0.812 nan 8.210 nan 0.000 0.505 860 T N 0.991 115.533 114.554 -0.021 0.000 2.963 860 T HA 0.440 4.790 4.350 -0.000 0.000 0.343 860 T C -0.602 174.106 174.700 0.014 0.000 1.146 860 T CA -0.557 61.545 62.100 0.003 0.000 1.016 860 T CB 0.803 69.679 68.868 0.014 0.000 1.046 860 T HN 0.573 nan 8.240 nan 0.000 0.496 861 Q N 2.906 122.719 119.800 0.022 0.000 2.195 861 Q HA 0.709 5.049 4.340 -0.000 0.000 0.250 861 Q C -1.063 174.969 176.000 0.053 0.000 0.988 861 Q CA -0.781 55.040 55.803 0.031 0.000 0.911 861 Q CB 1.796 30.552 28.738 0.031 0.000 1.258 861 Q HN 0.852 nan 8.270 nan 0.000 0.475 862 K N -0.342 120.080 120.400 0.036 0.000 2.809 862 K HA 0.528 4.848 4.320 -0.000 0.000 0.293 862 K C -1.717 174.852 176.600 -0.051 0.000 1.061 862 K CA -0.990 55.315 56.287 0.030 0.000 0.837 862 K CB 1.127 33.664 32.500 0.061 0.000 1.524 862 K HN 0.865 nan 8.250 nan 0.000 0.370 863 K N -0.456 119.900 120.400 -0.074 0.000 2.735 863 K HA 0.551 4.871 4.320 -0.000 0.000 0.295 863 K C -1.673 174.858 176.600 -0.116 0.000 1.052 863 K CA -1.199 54.931 56.287 -0.262 0.000 0.853 863 K CB 0.756 33.001 32.500 -0.424 0.000 1.535 863 K HN 0.511 nan 8.250 nan 0.000 0.383 864 F N -0.106 119.819 119.950 -0.040 0.000 2.539 864 F HA 0.637 5.164 4.527 0.000 0.000 0.328 864 F C -1.545 174.264 175.800 0.014 0.000 1.148 864 F CA -1.306 56.727 58.000 0.055 0.000 0.940 864 F CB 1.175 40.198 39.000 0.038 0.000 1.194 864 F HN 0.249 nan 8.300 nan 0.000 0.438 865 L N 3.920 125.308 121.223 0.275 0.000 2.353 865 L HA 0.549 4.889 4.340 -0.000 0.000 0.270 865 L C -0.024 177.101 176.870 0.425 0.000 1.003 865 L CA -1.212 53.757 54.840 0.216 0.000 0.862 865 L CB 0.322 42.344 42.059 -0.061 0.000 1.221 865 L HN 0.931 nan 8.230 nan 0.000 0.430 866 C N 1.782 121.250 119.300 0.280 0.000 2.500 866 C HA 0.721 5.181 4.460 -0.000 0.000 0.367 866 C C -0.179 174.986 174.990 0.291 0.000 1.283 866 C CA 0.250 59.361 59.018 0.157 0.000 2.456 866 C CB 0.766 28.461 27.740 -0.076 0.000 2.457 866 C HN 0.991 nan 8.230 nan 0.000 0.632 867 D N 1.546 122.099 120.400 0.255 0.000 2.726 867 D HA 0.246 4.886 4.640 -0.000 0.000 0.203 867 D C 0.379 176.755 176.300 0.127 0.000 1.297 867 D CA -0.381 53.769 54.000 0.251 0.000 0.863 867 D CB 0.903 41.891 40.800 0.314 0.000 1.669 867 D HN 0.850 nan 8.370 nan 0.000 0.561 868 R N 0.338 120.819 120.500 -0.032 0.000 3.869 868 R HA -0.252 4.088 4.340 -0.000 0.000 0.319 868 R C 0.462 176.901 176.300 0.232 0.000 0.754 868 R CA 2.268 58.253 56.100 -0.192 0.000 1.769 868 R CB -1.369 28.780 30.300 -0.253 0.000 1.968 868 R HN 0.449 nan 8.270 nan 0.000 0.505 869 T N 1.981 116.568 114.554 0.054 0.000 2.997 869 T HA 0.469 4.819 4.350 -0.000 0.000 0.311 869 T C 0.712 175.103 174.700 -0.515 0.000 1.079 869 T CA -0.521 61.498 62.100 -0.135 0.000 0.982 869 T CB 0.037 68.858 68.868 -0.078 0.000 1.032 869 T HN 0.149 nan 8.240 nan 0.000 0.581 870 L N 3.067 123.984 121.223 -0.510 0.000 2.682 870 L HA 0.558 4.898 4.340 -0.000 0.000 0.209 870 L C 0.273 176.694 176.870 -0.748 0.000 1.195 870 L CA -1.075 53.195 54.840 -0.949 0.000 0.869 870 L CB 0.277 41.624 42.059 -1.187 0.000 1.599 870 L HN 0.720 nan 8.230 nan 0.000 0.518 871 W N 0.048 121.226 121.300 -0.202 0.000 2.288 871 W HA 0.481 5.141 4.660 -0.000 0.000 0.325 871 W C -0.293 176.138 176.519 -0.146 0.000 1.019 871 W CA -1.056 56.219 57.345 -0.117 0.000 1.403 871 W CB -0.319 29.178 29.460 0.061 0.000 1.226 871 W HN 0.182 nan 8.180 nan 0.000 0.391 872 R N 4.810 125.301 120.500 -0.014 0.000 2.429 872 R HA 0.209 4.549 4.340 -0.000 0.000 0.302 872 R C -0.350 175.955 176.300 0.010 0.000 1.268 872 R CA -0.223 55.826 56.100 -0.085 0.000 1.090 872 R CB -0.032 30.150 30.300 -0.197 0.000 1.102 872 R HN 0.635 nan 8.270 nan 0.000 0.522 873 I N 4.156 124.785 120.570 0.098 0.000 2.412 873 I HA 0.250 4.420 4.170 -0.000 0.000 0.279 873 I C -1.756 174.473 176.117 0.186 0.000 1.063 873 I CA -2.220 59.186 61.300 0.175 0.000 1.193 873 I CB 1.002 39.130 38.000 0.214 0.000 1.370 873 I HN 0.199 nan 8.210 nan 0.000 0.479 874 P HA 0.008 nan 4.420 nan 0.000 0.251 874 P C 0.127 177.501 177.300 0.123 0.000 1.289 874 P CA 0.887 63.997 63.100 0.017 0.000 0.676 874 P CB 0.583 32.284 31.700 0.001 0.000 1.294 875 F N -0.880 119.044 119.950 -0.042 0.000 2.496 875 F HA 0.337 4.864 4.527 -0.000 0.000 0.373 875 F C -0.779 174.874 175.800 -0.246 0.000 1.379 875 F CA -0.477 57.495 58.000 -0.047 0.000 1.066 875 F CB -0.209 38.774 39.000 -0.027 0.000 1.338 875 F HN 0.060 nan 8.300 nan 0.000 0.505 876 S N -0.484 114.778 115.700 -0.730 0.000 2.503 876 S HA 0.385 4.855 4.470 -0.000 0.000 0.301 876 S C 0.919 174.901 174.600 -1.031 0.000 1.087 876 S CA -0.143 57.617 58.200 -0.733 0.000 1.042 876 S CB 1.839 64.810 63.200 -0.381 0.000 1.043 876 S HN 0.143 nan 8.310 nan 0.000 0.489 877 S N 3.043 118.377 115.700 -0.610 0.000 2.609 877 S HA -0.025 4.445 4.470 -0.000 0.000 0.250 877 S C 0.218 174.695 174.600 -0.204 0.000 0.974 877 S CA 1.080 59.066 58.200 -0.356 0.000 0.962 877 S CB -0.813 62.307 63.200 -0.133 0.000 0.756 877 S HN 0.802 nan 8.310 nan 0.000 0.539 878 N N -0.616 117.904 118.700 -0.301 0.000 2.142 878 N HA 0.247 4.987 4.740 -0.000 0.000 0.233 878 N C -0.727 174.815 175.510 0.054 0.000 1.335 878 N CA -0.420 52.625 53.050 -0.009 0.000 0.837 878 N CB -0.043 38.450 38.487 0.009 0.000 1.238 878 N HN 0.142 nan 8.380 nan 0.000 0.501 879 F N 1.834 121.803 119.950 0.033 0.000 2.180 879 F HA -0.296 4.231 4.527 0.000 0.000 0.139 879 F C 0.341 176.133 175.800 -0.012 0.000 1.019 879 F CA 0.743 58.758 58.000 0.025 0.000 0.741 879 F CB -1.186 37.842 39.000 0.047 0.000 0.685 879 F HN 0.057 nan 8.300 nan 0.000 0.790 880 M N -0.383 119.256 119.600 0.065 0.000 2.719 880 M HA 0.327 4.807 4.480 -0.000 0.000 0.291 880 M C 0.878 177.188 176.300 0.016 0.000 1.264 880 M CA -0.827 54.488 55.300 0.024 0.000 0.811 880 M CB 1.799 34.396 32.600 -0.005 0.000 1.756 880 M HN -0.032 nan 8.290 nan 0.000 0.464 881 S N 0.070 115.774 115.700 0.007 0.000 2.603 881 S HA 0.166 4.636 4.470 -0.000 0.000 0.220 881 S C 0.564 175.183 174.600 0.033 0.000 0.967 881 S CA -0.006 58.196 58.200 0.002 0.000 0.920 881 S CB -0.527 62.682 63.200 0.016 0.000 0.773 881 S HN 0.602 nan 8.310 nan 0.000 0.529 882 M N 0.310 119.924 119.600 0.023 0.000 7.281 882 M HA -0.265 4.215 4.480 -0.000 0.000 0.323 882 M C 1.430 177.756 176.300 0.045 0.000 0.480 882 M CA 1.150 56.466 55.300 0.027 0.000 1.305 882 M CB -0.397 32.212 32.600 0.014 0.000 0.428 882 M HN 0.338 nan 8.290 nan 0.000 0.324 883 G N 0.083 108.905 108.800 0.037 0.000 2.679 883 G HA2 0.297 4.257 3.960 -0.000 0.000 0.185 883 G HA3 0.297 4.257 3.960 -0.000 0.000 0.185 883 G C 1.004 175.939 174.900 0.058 0.000 1.656 883 G CA 0.925 46.048 45.100 0.038 0.000 0.892 883 G HN 1.099 nan 8.290 nan 0.000 0.389 884 A N -0.525 122.333 122.820 0.064 0.000 1.839 884 A HA 0.388 4.708 4.320 -0.000 0.000 0.213 884 A C 1.414 179.094 177.584 0.159 0.000 1.274 884 A CA 1.708 53.803 52.037 0.098 0.000 0.608 884 A CB -0.886 18.160 19.000 0.077 0.000 0.920 884 A HN 0.621 nan 8.150 nan 0.000 0.465 885 L N -1.597 119.716 121.223 0.151 0.000 2.793 885 L HA 0.625 4.965 4.340 -0.000 0.000 0.242 885 L C -0.086 176.878 176.870 0.157 0.000 1.315 885 L CA 0.779 55.751 54.840 0.220 0.000 1.263 885 L CB 1.367 43.531 42.059 0.175 0.000 2.076 885 L HN 0.527 nan 8.230 nan 0.000 0.575 886 T N -1.529 113.139 114.554 0.191 0.000 3.089 886 T HA 0.275 4.625 4.350 -0.000 0.000 0.340 886 T C -0.327 174.331 174.700 -0.071 0.000 1.008 886 T CA -0.288 61.843 62.100 0.052 0.000 1.096 886 T CB 0.082 68.982 68.868 0.052 0.000 1.024 886 T HN 0.636 nan 8.240 nan 0.000 0.477 887 D N 2.280 122.634 120.400 -0.076 0.000 3.180 887 D HA -0.216 4.424 4.640 -0.000 0.000 0.193 887 D C 0.784 176.998 176.300 -0.143 0.000 1.143 887 D CA 0.631 54.577 54.000 -0.091 0.000 0.750 887 D CB -0.440 40.304 40.800 -0.094 0.000 1.036 887 D HN 0.590 nan 8.370 nan 0.000 0.413 888 L N -1.550 119.525 121.223 -0.247 0.000 2.948 888 L HA 0.259 4.599 4.340 -0.000 0.000 0.259 888 L C 2.271 179.334 176.870 0.322 0.000 1.136 888 L CA 0.484 55.181 54.840 -0.237 0.000 0.959 888 L CB 0.689 42.156 42.059 -0.986 0.000 1.370 888 L HN 0.092 nan 8.230 nan 0.000 0.552 889 G N -0.500 108.643 108.800 0.572 0.000 3.371 889 G HA2 0.063 4.023 3.960 -0.000 0.000 0.248 889 G HA3 0.063 4.023 3.960 -0.000 0.000 0.248 889 G C 0.468 175.515 174.900 0.246 0.000 1.161 889 G CA -0.120 45.296 45.100 0.528 0.000 0.796 889 G HN 0.270 nan 8.290 nan 0.000 0.539 890 Q N 0.943 120.858 119.800 0.192 0.000 2.715 890 Q HA 0.226 4.566 4.340 -0.000 0.000 0.399 890 Q C -0.802 175.228 176.000 0.049 0.000 1.017 890 Q CA -0.395 55.458 55.803 0.082 0.000 1.077 890 Q CB 0.240 29.009 28.738 0.051 0.000 1.350 890 Q HN 0.297 nan 8.270 nan 0.000 0.421 891 N N 0.462 119.172 118.700 0.017 0.000 3.193 891 N HA 0.028 4.768 4.740 -0.000 0.000 0.234 891 N C -0.986 174.386 175.510 -0.230 0.000 1.267 891 N CA -0.311 52.680 53.050 -0.100 0.000 0.875 891 N CB 0.325 38.752 38.487 -0.100 0.000 1.592 891 N HN 0.257 nan 8.380 nan 0.000 0.648 892 L N 2.263 123.395 121.223 -0.152 0.000 4.812 892 L HA 0.007 4.347 4.340 -0.000 0.000 0.272 892 L C 1.346 178.088 176.870 -0.214 0.000 1.427 892 L CA 0.292 55.046 54.840 -0.143 0.000 0.926 892 L CB -0.851 41.159 42.059 -0.081 0.000 1.437 892 L HN 0.591 nan 8.230 nan 0.000 0.389 893 L N -1.421 119.543 121.223 -0.431 0.000 2.515 893 L HA 0.141 4.481 4.340 -0.000 0.000 0.202 893 L C 1.940 178.504 176.870 -0.511 0.000 1.056 893 L CA 1.074 55.626 54.840 -0.480 0.000 0.847 893 L CB -0.258 41.398 42.059 -0.670 0.000 1.131 893 L HN 0.198 nan 8.230 nan 0.000 0.484 894 Y N -0.440 119.737 120.300 -0.205 0.000 2.389 894 Y HA 0.450 5.000 4.550 0.000 0.000 0.292 894 Y C 2.456 178.271 175.900 -0.142 0.000 1.117 894 Y CA 0.328 58.187 58.100 -0.401 0.000 1.195 894 Y CB -1.185 37.086 38.460 -0.315 0.000 1.076 894 Y HN 0.203 nan 8.280 nan 0.000 0.548 895 A N 2.545 125.355 122.820 -0.017 0.000 1.862 895 A HA -0.276 4.044 4.320 -0.000 0.000 0.214 895 A C 2.112 179.710 177.584 0.024 0.000 1.228 895 A CA 2.290 54.346 52.037 0.032 0.000 0.665 895 A CB -1.221 17.773 19.000 -0.010 0.000 0.845 895 A HN 0.587 nan 8.150 nan 0.000 0.459 896 N N 0.414 119.104 118.700 -0.016 0.000 2.004 896 N HA -0.080 4.660 4.740 -0.000 0.000 0.196 896 N C 0.559 176.089 175.510 0.033 0.000 1.064 896 N CA 1.332 54.384 53.050 0.003 0.000 0.855 896 N CB -1.031 37.449 38.487 -0.011 0.000 1.056 896 N HN 0.314 nan 8.380 nan 0.000 0.423 897 S N 1.012 116.728 115.700 0.027 0.000 2.465 897 S HA 0.418 4.888 4.470 -0.000 0.000 0.280 897 S C 0.381 175.057 174.600 0.126 0.000 1.232 897 S CA -0.670 57.577 58.200 0.079 0.000 1.066 897 S CB 0.620 63.871 63.200 0.084 0.000 0.929 897 S HN 0.548 nan 8.310 nan 0.000 0.494 898 A N 3.751 126.705 122.820 0.223 0.000 2.386 898 A HA 0.321 4.641 4.320 -0.000 0.000 0.246 898 A C -0.015 177.896 177.584 0.545 0.000 1.089 898 A CA -0.026 52.258 52.037 0.410 0.000 0.790 898 A CB 0.171 19.388 19.000 0.362 0.000 1.042 898 A HN 0.957 nan 8.150 nan 0.000 0.497 899 H N -0.181 119.132 119.070 0.405 0.000 3.018 899 H HA 0.420 4.976 4.556 -0.000 0.000 0.334 899 H C 0.754 176.175 175.328 0.155 0.000 0.983 899 H CA -0.374 55.740 56.048 0.111 0.000 1.363 899 H CB 1.712 31.391 29.762 -0.139 0.000 1.668 899 H HN 0.931 nan 8.280 nan 0.000 0.513 900 A N 3.473 126.461 122.820 0.280 0.000 3.297 900 A HA 0.338 4.658 4.320 -0.000 0.000 0.150 900 A C 0.191 177.827 177.584 0.088 0.000 0.871 900 A CA 0.965 53.163 52.037 0.268 0.000 1.148 900 A CB -0.052 19.036 19.000 0.147 0.000 0.882 900 A HN 0.627 nan 8.150 nan 0.000 0.534 901 L N -3.644 117.601 121.223 0.036 0.000 3.105 901 L HA 0.260 4.600 4.340 -0.000 0.000 0.261 901 L C -1.977 174.865 176.870 -0.047 0.000 0.911 901 L CA 0.315 55.140 54.840 -0.026 0.000 1.082 901 L CB 0.796 42.818 42.059 -0.063 0.000 1.647 901 L HN 0.944 nan 8.230 nan 0.000 0.388 902 D N 0.621 120.959 120.400 -0.104 0.000 2.683 902 D HA 0.641 5.281 4.640 -0.000 0.000 0.246 902 D C -2.031 174.108 176.300 -0.267 0.000 1.238 902 D CA -0.323 53.584 54.000 -0.156 0.000 0.759 902 D CB 1.713 42.424 40.800 -0.149 0.000 1.349 902 D HN 0.526 nan 8.370 nan 0.000 0.426 903 M N 1.201 120.604 119.600 -0.328 0.000 2.365 903 M HA 0.360 4.840 4.480 -0.000 0.000 0.287 903 M C -1.266 174.611 176.300 -0.705 0.000 1.154 903 M CA -0.765 54.214 55.300 -0.536 0.000 0.941 903 M CB 2.069 34.369 32.600 -0.501 0.000 1.704 903 M HN 0.427 nan 8.290 nan 0.000 0.479 904 T N 0.259 114.309 114.554 -0.839 0.000 2.991 904 T HA 0.829 5.179 4.350 -0.000 0.000 0.303 904 T C -0.908 173.383 174.700 -0.682 0.000 1.015 904 T CA -0.578 61.093 62.100 -0.715 0.000 1.007 904 T CB 1.189 69.844 68.868 -0.355 0.000 1.034 904 T HN 0.525 nan 8.240 nan 0.000 0.446 905 F N -0.213 119.622 119.950 -0.192 0.000 2.900 905 F HA 0.916 5.443 4.527 -0.000 0.000 0.375 905 F C 0.168 175.884 175.800 -0.140 0.000 1.258 905 F CA -1.637 56.243 58.000 -0.200 0.000 1.094 905 F CB 0.651 39.500 39.000 -0.252 0.000 1.505 905 F HN 0.725 nan 8.300 nan 0.000 0.510 906 E N -0.171 120.113 120.200 0.140 0.000 2.407 906 E HA 0.612 4.962 4.350 -0.000 0.000 0.279 906 E C -1.837 174.811 176.600 0.079 0.000 1.012 906 E CA -0.676 55.766 56.400 0.070 0.000 0.800 906 E CB 3.165 32.892 29.700 0.046 0.000 1.276 906 E HN 0.699 nan 8.360 nan 0.000 0.452 907 V N -0.933 119.034 119.914 0.087 0.000 3.076 907 V HA 0.529 4.649 4.120 -0.000 0.000 0.311 907 V C -1.281 174.891 176.094 0.130 0.000 1.461 907 V CA -0.838 61.557 62.300 0.159 0.000 1.029 907 V CB 1.806 33.705 31.823 0.128 0.000 1.061 907 V HN 0.680 nan 8.190 nan 0.000 0.474 908 D N 2.495 122.984 120.400 0.148 0.000 2.393 908 D HA 0.386 5.026 4.640 -0.000 0.000 0.232 908 D C -2.540 173.813 176.300 0.088 0.000 1.192 908 D CA -1.160 52.901 54.000 0.101 0.000 0.882 908 D CB 1.284 42.141 40.800 0.094 0.000 1.038 908 D HN 0.435 nan 8.370 nan 0.000 0.499 909 P HA -0.104 nan 4.420 nan 0.000 0.238 909 P C -0.152 177.186 177.300 0.063 0.000 1.090 909 P CA 0.527 63.664 63.100 0.061 0.000 0.944 909 P CB -0.045 31.689 31.700 0.057 0.000 0.881 910 M N 3.606 123.239 119.600 0.055 0.000 2.094 910 M HA 0.049 4.529 4.480 -0.000 0.000 0.348 910 M C 0.757 177.076 176.300 0.031 0.000 1.267 910 M CA -0.186 55.142 55.300 0.047 0.000 1.125 910 M CB 0.748 33.377 32.600 0.049 0.000 1.527 910 M HN 0.248 nan 8.290 nan 0.000 0.447 911 D N 2.349 122.763 120.400 0.024 0.000 2.429 911 D HA -0.155 4.485 4.640 -0.000 0.000 0.234 911 D C 0.474 176.779 176.300 0.008 0.000 1.053 911 D CA 0.748 54.755 54.000 0.013 0.000 1.012 911 D CB -0.311 40.487 40.800 -0.003 0.000 0.859 911 D HN 0.660 nan 8.370 nan 0.000 0.513 912 E N -0.863 119.343 120.200 0.011 0.000 2.449 912 E HA 0.401 4.751 4.350 -0.000 0.000 0.278 912 E C -3.382 173.221 176.600 0.005 0.000 0.992 912 E CA -2.401 54.003 56.400 0.007 0.000 0.807 912 E CB 1.533 31.238 29.700 0.008 0.000 1.350 912 E HN -0.265 nan 8.360 nan 0.000 0.462 913 P HA 0.134 nan 4.420 nan 0.000 0.274 913 P C -0.331 176.966 177.300 -0.005 0.000 1.291 913 P CA 0.243 63.338 63.100 -0.008 0.000 0.815 913 P CB 0.476 32.162 31.700 -0.023 0.000 0.897 914 T N 1.794 116.350 114.554 0.003 0.000 2.920 914 T HA 0.772 5.122 4.350 -0.000 0.000 0.292 914 T C 0.181 174.883 174.700 0.004 0.000 1.093 914 T CA -0.581 61.522 62.100 0.006 0.000 0.944 914 T CB 0.395 69.272 68.868 0.015 0.000 1.605 914 T HN 0.077 nan 8.240 nan 0.000 0.590 915 L N -1.255 119.973 121.223 0.008 0.000 2.669 915 L HA 0.690 5.030 4.340 -0.000 0.000 0.255 915 L C -1.142 175.745 176.870 0.028 0.000 1.123 915 L CA -1.014 53.839 54.840 0.023 0.000 0.941 915 L CB 1.337 43.404 42.059 0.013 0.000 1.552 915 L HN 0.555 nan 8.230 nan 0.000 0.394 916 L N -0.398 120.871 121.223 0.076 0.000 2.303 916 L HA 0.710 5.050 4.340 -0.000 0.000 0.266 916 L C -1.808 175.227 176.870 0.275 0.000 1.011 916 L CA -0.531 54.346 54.840 0.062 0.000 0.818 916 L CB 2.106 44.187 42.059 0.037 0.000 1.326 916 L HN 0.509 nan 8.230 nan 0.000 0.435 917 Y N 1.636 121.916 120.300 -0.033 0.000 2.424 917 Y HA 0.571 5.121 4.550 0.000 0.000 0.323 917 Y C -1.369 174.629 175.900 0.162 0.000 1.174 917 Y CA -0.966 57.194 58.100 0.100 0.000 1.060 917 Y CB 2.016 40.579 38.460 0.171 0.000 1.314 917 Y HN 0.288 nan 8.280 nan 0.000 0.439 918 V N 3.492 123.298 119.914 -0.180 0.000 2.851 918 V HA 0.632 4.752 4.120 -0.000 0.000 0.290 918 V C -1.813 174.292 176.094 0.018 0.000 1.330 918 V CA -1.143 61.177 62.300 0.033 0.000 0.944 918 V CB 1.324 33.275 31.823 0.213 0.000 1.090 918 V HN 0.750 nan 8.190 nan 0.000 0.436 919 L N 1.396 122.657 121.223 0.063 0.000 2.442 919 L HA 0.751 5.091 4.340 -0.000 0.000 0.261 919 L C -0.844 176.192 176.870 0.277 0.000 1.000 919 L CA -0.457 54.487 54.840 0.172 0.000 0.882 919 L CB 1.116 43.166 42.059 -0.015 0.000 1.207 919 L HN 0.505 nan 8.230 nan 0.000 0.443 920 F N 0.811 120.828 119.950 0.112 0.000 2.578 920 F HA 0.051 4.578 4.527 -0.000 0.000 0.381 920 F C 1.460 177.142 175.800 -0.197 0.000 1.069 920 F CA -0.304 57.718 58.000 0.038 0.000 1.231 920 F CB 0.350 39.631 39.000 0.468 0.000 1.086 920 F HN 0.678 nan 8.300 nan 0.000 0.564 921 E N 3.306 123.293 120.200 -0.355 0.000 3.187 921 E HA 0.123 4.473 4.350 -0.000 0.000 0.297 921 E C 0.568 176.811 176.600 -0.595 0.000 1.515 921 E CA -0.365 55.763 56.400 -0.453 0.000 1.641 921 E CB -0.326 29.059 29.700 -0.523 0.000 1.314 921 E HN 0.557 nan 8.360 nan 0.000 0.462 922 V N -0.788 118.942 119.914 -0.307 0.000 4.261 922 V HA 0.122 4.242 4.120 -0.000 0.000 0.260 922 V C 0.225 176.208 176.094 -0.186 0.000 0.839 922 V CA 0.236 62.467 62.300 -0.114 0.000 0.780 922 V CB -0.041 31.795 31.823 0.022 0.000 1.115 922 V HN 0.203 nan 8.190 nan 0.000 0.360 923 F N -0.650 119.191 119.950 -0.181 0.000 2.603 923 F HA 0.825 5.352 4.527 0.000 0.000 0.317 923 F C -0.646 175.157 175.800 0.006 0.000 1.066 923 F CA -0.968 56.983 58.000 -0.081 0.000 0.941 923 F CB 1.701 40.648 39.000 -0.089 0.000 1.291 923 F HN 0.461 nan 8.300 nan 0.000 0.472 924 D N 0.631 121.197 120.400 0.276 0.000 2.871 924 D HA 0.699 5.339 4.640 -0.000 0.000 0.209 924 D C -1.364 175.189 176.300 0.421 0.000 1.292 924 D CA 0.071 54.266 54.000 0.325 0.000 0.869 924 D CB 2.413 43.464 40.800 0.418 0.000 1.663 924 D HN 0.315 nan 8.370 nan 0.000 0.557 925 V N 1.156 121.186 119.914 0.194 0.000 3.279 925 V HA 0.618 4.738 4.120 -0.000 0.000 0.281 925 V C -0.885 175.168 176.094 -0.070 0.000 1.601 925 V CA -0.672 61.649 62.300 0.035 0.000 1.044 925 V CB 2.229 34.151 31.823 0.164 0.000 1.205 925 V HN 0.402 nan 8.190 nan 0.000 0.464 926 V N 1.641 121.467 119.914 -0.147 0.000 3.103 926 V HA 0.711 4.831 4.120 -0.000 0.000 0.311 926 V C -0.439 175.597 176.094 -0.097 0.000 1.322 926 V CA -0.899 61.321 62.300 -0.133 0.000 1.063 926 V CB 2.333 34.053 31.823 -0.171 0.000 1.090 926 V HN 0.966 nan 8.190 nan 0.000 0.462 927 R N -1.185 119.250 120.500 -0.108 0.000 2.494 927 R HA 0.393 4.733 4.340 -0.000 0.000 0.400 927 R C -0.631 175.625 176.300 -0.073 0.000 0.856 927 R CA -0.334 55.721 56.100 -0.076 0.000 1.112 927 R CB 0.034 30.297 30.300 -0.063 0.000 1.697 927 R HN 0.339 nan 8.270 nan 0.000 0.544 928 V N 2.155 122.010 119.914 -0.098 0.000 3.086 928 V HA -0.228 3.892 4.120 -0.000 0.000 0.273 928 V C 0.645 176.749 176.094 0.016 0.000 1.480 928 V CA 1.117 63.375 62.300 -0.071 0.000 1.481 928 V CB -0.060 31.704 31.823 -0.098 0.000 0.944 928 V HN 0.414 nan 8.190 nan 0.000 0.532 929 H N 3.985 122.993 119.070 -0.103 0.000 2.855 929 H HA 0.768 5.324 4.556 -0.000 0.000 0.363 929 H C -0.214 175.057 175.328 -0.095 0.000 1.185 929 H CA -1.300 54.693 56.048 -0.092 0.000 1.174 929 H CB 1.709 31.421 29.762 -0.083 0.000 1.857 929 H HN 0.592 nan 8.280 nan 0.000 0.565 930 R N 3.420 123.543 120.500 -0.628 0.000 2.921 930 R HA 0.252 4.592 4.340 -0.000 0.000 0.269 930 R C -2.728 173.195 176.300 -0.628 0.000 1.696 930 R CA -1.171 54.639 56.100 -0.482 0.000 1.161 930 R CB 1.243 31.400 30.300 -0.237 0.000 1.337 930 R HN 0.337 nan 8.270 nan 0.000 0.496 931 P HA -0.066 nan 4.420 nan 0.000 0.215 931 P C -0.494 176.485 177.300 -0.536 0.000 1.157 931 P CA 1.191 63.894 63.100 -0.661 0.000 0.863 931 P CB 0.121 31.337 31.700 -0.807 0.000 0.787 932 H N -2.168 116.859 119.070 -0.072 0.000 2.669 932 H HA 0.418 4.974 4.556 -0.000 0.000 0.318 932 H C 0.897 176.244 175.328 0.031 0.000 1.429 932 H CA -0.991 55.048 56.048 -0.015 0.000 1.460 932 H CB 0.414 30.175 29.762 -0.001 0.000 1.784 932 H HN -0.133 nan 8.280 nan 0.000 0.750 933 R N 0.260 120.873 120.500 0.189 0.000 2.978 933 R HA 0.363 4.703 4.340 -0.000 0.000 0.298 933 R C 0.220 176.606 176.300 0.144 0.000 1.296 933 R CA 0.219 56.406 56.100 0.145 0.000 1.181 933 R CB -0.078 30.250 30.300 0.047 0.000 1.348 933 R HN 0.732 nan 8.270 nan 0.000 0.585 934 G N 0.091 109.083 108.800 0.320 0.000 2.647 934 G HA2 0.055 4.015 3.960 -0.000 0.000 0.212 934 G HA3 0.055 4.015 3.960 -0.000 0.000 0.212 934 G C 0.045 175.216 174.900 0.451 0.000 1.540 934 G CA -0.061 45.236 45.100 0.329 0.000 0.608 934 G HN 0.089 nan 8.290 nan 0.000 1.094 935 V N 2.244 122.317 119.914 0.266 0.000 3.393 935 V HA 0.169 4.289 4.120 -0.000 0.000 0.296 935 V C 0.243 176.354 176.094 0.029 0.000 1.204 935 V CA 0.787 63.178 62.300 0.153 0.000 1.323 935 V CB 0.287 32.210 31.823 0.167 0.000 1.017 935 V HN 0.354 nan 8.190 nan 0.000 0.511 936 I N 1.937 122.499 120.570 -0.013 0.000 2.731 936 I HA 0.362 4.532 4.170 -0.000 0.000 0.286 936 I C -0.790 175.301 176.117 -0.042 0.000 1.421 936 I CA -0.467 60.785 61.300 -0.080 0.000 1.071 936 I CB 1.831 39.764 38.000 -0.112 0.000 1.375 936 I HN 0.703 nan 8.210 nan 0.000 0.425 937 E N 4.149 124.317 120.200 -0.054 0.000 2.238 937 E HA 0.537 4.887 4.350 -0.000 0.000 0.267 937 E C -0.178 176.383 176.600 -0.065 0.000 0.887 937 E CA -0.781 55.594 56.400 -0.041 0.000 0.769 937 E CB 2.278 31.955 29.700 -0.038 0.000 1.187 937 E HN 0.507 nan 8.360 nan 0.000 0.416 938 T N -0.049 114.474 114.554 -0.051 0.000 5.309 938 T HA 0.069 4.419 4.350 -0.000 0.000 0.457 938 T C 0.428 174.856 174.700 -0.454 0.000 0.956 938 T CA -0.214 61.821 62.100 -0.108 0.000 0.961 938 T CB 0.005 68.891 68.868 0.029 0.000 1.240 938 T HN 0.445 nan 8.240 nan 0.000 0.411 939 V N 0.665 120.151 119.914 -0.713 0.000 2.770 939 V HA 0.046 4.166 4.120 -0.000 0.000 0.396 939 V C -1.750 173.678 176.094 -1.111 0.000 0.692 939 V CA -0.627 61.255 62.300 -0.698 0.000 1.917 939 V CB -1.706 29.826 31.823 -0.485 0.000 2.430 939 V HN 0.824 nan 8.190 nan 0.000 0.477 940 Y N 4.907 125.206 120.300 -0.001 0.000 2.457 940 Y HA 0.824 5.374 4.550 0.000 0.000 0.343 940 Y C 0.226 176.136 175.900 0.017 0.000 0.994 940 Y CA -1.135 56.971 58.100 0.011 0.000 1.031 940 Y CB 1.941 40.415 38.460 0.024 0.000 1.246 940 Y HN 0.490 nan 8.280 nan 0.000 0.449 941 L N 0.107 121.446 121.223 0.193 0.000 2.801 941 L HA 0.715 5.055 4.340 -0.000 0.000 0.221 941 L C -0.386 176.566 176.870 0.136 0.000 1.895 941 L CA -1.444 53.467 54.840 0.119 0.000 2.760 941 L CB -0.206 41.892 42.059 0.065 0.000 2.629 941 L HN 0.632 nan 8.230 nan 0.000 0.670 942 R N -0.442 120.120 120.500 0.104 0.000 7.848 942 R HA 0.017 4.357 4.340 -0.000 0.000 0.262 942 R C -2.050 174.210 176.300 -0.068 0.000 0.798 942 R CA 0.532 56.693 56.100 0.102 0.000 1.929 942 R CB -1.717 28.712 30.300 0.216 0.000 1.273 942 R HN 0.816 nan 8.270 nan 0.000 0.938 943 T N 6.432 120.884 114.554 -0.170 0.000 2.829 943 T HA 0.558 4.908 4.350 -0.000 0.000 0.280 943 T C -2.100 172.241 174.700 -0.599 0.000 0.999 943 T CA -1.345 60.527 62.100 -0.381 0.000 0.983 943 T CB 2.027 70.730 68.868 -0.275 0.000 0.968 943 T HN 0.398 nan 8.240 nan 0.000 0.446 944 P HA 0.136 nan 4.420 nan 0.000 0.309 944 P C 0.746 177.640 177.300 -0.678 0.000 1.423 944 P CA 0.111 62.844 63.100 -0.612 0.000 0.814 944 P CB 0.146 31.717 31.700 -0.215 0.000 1.900 945 F N -3.764 116.094 119.950 -0.154 0.000 2.467 945 F HA -0.349 4.178 4.527 -0.000 0.000 0.706 945 F C 0.753 176.482 175.800 -0.118 0.000 0.741 945 F CA 1.067 58.947 58.000 -0.200 0.000 1.035 945 F CB -2.357 36.557 39.000 -0.142 0.000 1.530 945 F HN 0.434 nan 8.300 nan 0.000 0.267 946 S N -0.370 115.439 115.700 0.182 0.000 2.773 946 S HA 0.337 4.807 4.470 -0.000 0.000 0.857 946 S C -0.043 174.598 174.600 0.068 0.000 0.844 946 S CA 0.185 58.430 58.200 0.075 0.000 1.519 946 S CB -0.644 62.562 63.200 0.009 0.000 1.092 946 S HN 1.624 nan 8.310 nan 0.000 0.219 947 A N 4.062 126.927 122.820 0.075 0.000 3.051 947 A HA 0.724 5.044 4.320 -0.000 0.000 0.187 947 A C 1.644 179.254 177.584 0.043 0.000 1.690 947 A CA 1.071 53.146 52.037 0.064 0.000 0.677 947 A CB -1.346 17.709 19.000 0.092 0.000 1.164 947 A HN 2.761 nan 8.150 nan 0.000 0.473 948 G N 0.463 109.293 108.800 0.051 0.000 2.392 948 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.256 948 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.256 948 G C -0.262 174.652 174.900 0.024 0.000 0.920 948 G CA 0.291 45.410 45.100 0.031 0.000 1.316 948 G HN 0.673 nan 8.290 nan 0.000 0.416 949 N N 0.769 119.486 118.700 0.029 0.000 2.411 949 N HA 0.561 5.301 4.740 -0.000 0.000 0.259 949 N C 0.407 175.924 175.510 0.013 0.000 1.103 949 N CA 0.765 53.826 53.050 0.019 0.000 0.954 949 N CB 1.124 39.624 38.487 0.021 0.000 1.085 949 N HN 0.887 nan 8.380 nan 0.000 0.485 950 A N 2.078 124.902 122.820 0.007 0.000 2.386 950 A HA 0.747 5.067 4.320 -0.000 0.000 0.308 950 A C 0.445 178.030 177.584 0.001 0.000 1.128 950 A CA -0.340 51.699 52.037 0.003 0.000 0.789 950 A CB 1.337 20.338 19.000 0.001 0.000 1.325 950 A HN 0.676 nan 8.150 nan 0.000 0.437 951 T N -2.465 112.089 114.554 0.000 0.000 3.607 951 T HA 0.101 4.451 4.350 -0.000 0.000 0.295 951 T C 0.901 175.600 174.700 -0.001 0.000 0.884 951 T CA 0.705 62.804 62.100 -0.001 0.000 1.041 951 T CB -1.182 67.686 68.868 -0.001 0.000 1.172 951 T HN 1.186 nan 8.240 nan 0.000 0.536 952 T N 0.000 114.553 114.554 -0.001 0.000 3.816 952 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 952 T CA 0.000 62.099 62.100 -0.001 0.000 1.349 952 T CB 0.000 68.867 68.868 -0.001 0.000 0.612 952 T HN 0.000 nan 8.240 nan 0.000 0.658