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_L 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 RTPFS 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 0.000 177.548 177.584 -0.060 0.000 1.274 2 A CA 0.000 52.014 52.037 -0.039 0.000 0.836 2 A CB 0.000 18.982 19.000 -0.030 0.000 0.831 3 T N 3.195 117.702 114.554 -0.078 0.000 2.553 3 T HA -0.110 4.240 4.350 -0.000 0.000 0.502 3 T C -1.275 173.348 174.700 -0.128 0.000 0.809 3 T CA 1.019 63.042 62.100 -0.129 0.000 2.657 3 T CB -0.973 67.817 68.868 -0.130 0.000 1.692 3 T HN 0.705 nan 8.240 nan 0.000 0.515 4 P HA 0.213 nan 4.420 nan 0.000 0.209 4 P C 1.254 178.475 177.300 -0.131 0.000 1.185 4 P CA 0.472 63.510 63.100 -0.103 0.000 0.902 4 P CB 0.317 31.972 31.700 -0.074 0.000 0.750 5 S N -1.912 113.701 115.700 -0.146 0.000 2.554 5 S HA 0.454 4.924 4.470 -0.000 0.000 0.226 5 S C 0.085 174.472 174.600 -0.355 0.000 0.980 5 S CA -0.293 57.814 58.200 -0.155 0.000 0.939 5 S CB -0.952 62.216 63.200 -0.052 0.000 0.832 5 S HN 0.012 nan 8.310 nan 0.000 0.486 6 M N 1.368 120.716 119.600 -0.420 0.000 4.045 6 M HA -0.109 4.371 4.480 -0.000 0.000 0.157 6 M C -0.407 175.545 176.300 -0.579 0.000 1.532 6 M CA 0.166 55.030 55.300 -0.726 0.000 1.096 6 M CB -0.727 30.968 32.600 -1.509 0.000 1.346 6 M HN 0.217 nan 8.290 nan 0.000 0.193 7 M N 1.408 120.839 119.600 -0.280 0.000 7.318 7 M HA -0.233 4.247 4.480 -0.000 0.000 0.331 7 M C -1.599 174.784 176.300 0.139 0.000 0.480 7 M CA 1.474 56.753 55.300 -0.035 0.000 1.311 7 M CB -1.382 31.242 32.600 0.040 0.000 0.421 7 M HN 0.510 nan 8.290 nan 0.000 0.339 8 P HA 0.011 nan 4.420 nan 0.000 0.222 8 P C 0.486 177.935 177.300 0.248 0.000 1.157 8 P CA 1.203 64.406 63.100 0.172 0.000 0.816 8 P CB 0.185 31.948 31.700 0.106 0.000 0.813 9 Q N -1.982 117.969 119.800 0.252 0.000 2.579 9 Q HA 0.125 4.465 4.340 -0.000 0.000 0.344 9 Q C -0.197 175.947 176.000 0.239 0.000 0.997 9 Q CA -0.029 55.900 55.803 0.211 0.000 0.991 9 Q CB -0.184 28.626 28.738 0.120 0.000 1.279 9 Q HN 0.315 nan 8.270 nan 0.000 0.420 10 W N -1.724 119.642 121.300 0.109 0.000 5.121 10 W HA -0.009 4.651 4.660 -0.000 0.000 0.165 10 W C 1.161 177.740 176.519 0.101 0.000 3.238 10 W CA -0.005 57.389 57.345 0.082 0.000 1.826 10 W CB 0.138 29.629 29.460 0.052 0.000 1.395 10 W HN -0.067 nan 8.180 nan 0.000 0.911 11 S N 1.751 117.768 115.700 0.529 0.000 2.845 11 S HA -0.140 4.330 4.470 -0.000 0.000 0.246 11 S C 0.299 175.045 174.600 0.243 0.000 0.987 11 S CA 0.833 59.234 58.200 0.334 0.000 1.012 11 S CB -0.997 62.298 63.200 0.159 0.000 0.793 11 S HN 0.326 nan 8.310 nan 0.000 0.544 12 Y N 1.283 121.665 120.300 0.135 0.000 2.618 12 Y HA 0.039 4.589 4.550 -0.000 0.000 0.236 12 Y C 1.977 177.678 175.900 -0.332 0.000 0.993 12 Y CA 0.165 58.243 58.100 -0.036 0.000 1.043 12 Y CB -0.184 38.243 38.460 -0.054 0.000 1.041 12 Y HN 0.087 nan 8.280 nan 0.000 0.468 13 M N 1.376 121.004 119.600 0.047 0.000 2.678 13 M HA -0.262 4.218 4.480 -0.000 0.000 0.249 13 M C -0.261 175.920 176.300 -0.198 0.000 1.087 13 M CA 1.172 56.350 55.300 -0.203 0.000 1.028 13 M CB -2.185 30.335 32.600 -0.133 0.000 1.337 13 M HN 0.423 nan 8.290 nan 0.000 0.491 14 H N -1.787 117.431 119.070 0.247 0.000 2.826 14 H HA -0.144 4.412 4.556 -0.000 0.000 0.306 14 H C 1.054 176.496 175.328 0.189 0.000 1.235 14 H CA 1.219 57.407 56.048 0.235 0.000 1.150 14 H CB -2.322 27.668 29.762 0.378 0.000 1.409 14 H HN 0.631 nan 8.280 nan 0.000 0.420 15 I N -2.676 118.024 120.570 0.217 0.000 3.462 15 I HA 0.101 4.271 4.170 -0.000 0.000 0.290 15 I C 0.812 177.111 176.117 0.304 0.000 1.236 15 I CA 0.931 62.328 61.300 0.161 0.000 1.418 15 I CB 0.252 38.244 38.000 -0.013 0.000 1.102 15 I HN 0.180 nan 8.210 nan 0.000 0.441 16 S N 0.864 116.791 115.700 0.378 0.000 2.617 16 S HA 0.731 5.201 4.470 -0.000 0.000 0.237 16 S C 0.178 174.936 174.600 0.264 0.000 1.142 16 S CA -0.238 58.192 58.200 0.385 0.000 1.167 16 S CB 0.589 64.148 63.200 0.599 0.000 1.068 16 S HN 0.556 nan 8.310 nan 0.000 0.470 17 G N 0.976 109.914 108.800 0.231 0.000 3.107 17 G HA2 0.557 4.517 3.960 -0.000 0.000 0.233 17 G HA3 0.557 4.517 3.960 -0.000 0.000 0.233 17 G C -1.567 173.317 174.900 -0.026 0.000 1.168 17 G CA -0.894 44.301 45.100 0.158 0.000 0.801 17 G HN 0.390 nan 8.290 nan 0.000 0.605 18 Q N 1.399 121.041 119.800 -0.263 0.000 2.286 18 Q HA 0.307 4.647 4.340 -0.000 0.000 0.257 18 Q C -0.404 175.338 176.000 -0.430 0.000 0.941 18 Q CA -0.713 54.834 55.803 -0.427 0.000 0.912 18 Q CB 1.314 29.658 28.738 -0.657 0.000 1.192 18 Q HN 0.529 nan 8.270 nan 0.000 0.410 19 D N 1.900 122.175 120.400 -0.208 0.000 1.984 19 D HA -0.088 4.552 4.640 -0.000 0.000 0.251 19 D C 0.997 177.249 176.300 -0.080 0.000 1.191 19 D CA 0.303 54.253 54.000 -0.083 0.000 0.951 19 D CB -0.390 40.384 40.800 -0.043 0.000 1.290 19 D HN 0.591 nan 8.370 nan 0.000 0.517 20 A N 0.484 123.311 122.820 0.011 0.000 3.282 20 A HA -0.062 4.258 4.320 -0.000 0.000 0.169 20 A C 0.848 178.461 177.584 0.048 0.000 0.727 20 A CA 1.700 53.773 52.037 0.060 0.000 1.213 20 A CB -1.423 17.596 19.000 0.032 0.000 0.810 20 A HN 0.751 nan 8.150 nan 0.000 0.513 21 S N 0.310 116.017 115.700 0.012 0.000 3.068 21 S HA 0.100 4.570 4.470 -0.000 0.000 0.358 21 S C 0.195 174.777 174.600 -0.031 0.000 1.007 21 S CA 0.996 59.193 58.200 -0.005 0.000 1.853 21 S CB -0.754 62.428 63.200 -0.030 0.000 1.250 21 S HN 0.604 nan 8.310 nan 0.000 0.639 22 E N 1.771 121.980 120.200 0.015 0.000 4.069 22 E HA 0.096 4.446 4.350 -0.000 0.000 0.186 22 E C 0.924 177.566 176.600 0.070 0.000 1.219 22 E CA -0.195 56.149 56.400 -0.093 0.000 0.751 22 E CB -0.583 28.858 29.700 -0.432 0.000 2.924 22 E HN 0.521 nan 8.360 nan 0.000 0.552 23 Y N 2.904 123.121 120.300 -0.138 0.000 1.642 23 Y HA -0.163 4.387 4.550 -0.000 0.000 0.123 23 Y C 1.561 177.394 175.900 -0.112 0.000 0.707 23 Y CA 0.048 58.062 58.100 -0.145 0.000 0.562 23 Y CB -2.450 35.875 38.460 -0.225 0.000 0.678 23 Y HN 0.182 nan 8.280 nan 0.000 0.732 24 L N 0.661 121.918 121.223 0.056 0.000 3.174 24 L HA -0.178 4.162 4.340 -0.000 0.000 0.362 24 L C 0.685 177.516 176.870 -0.064 0.000 1.188 24 L CA 0.920 55.703 54.840 -0.095 0.000 0.810 24 L CB -0.973 40.928 42.059 -0.264 0.000 1.129 24 L HN 0.375 nan 8.230 nan 0.000 0.615 25 S N 5.048 120.704 115.700 -0.073 0.000 3.723 25 S HA -0.033 4.437 4.470 -0.000 0.000 0.440 25 S C -0.995 173.529 174.600 -0.127 0.000 0.901 25 S CA -0.298 57.850 58.200 -0.086 0.000 1.831 25 S CB -0.266 62.880 63.200 -0.090 0.000 1.036 25 S HN 0.618 nan 8.310 nan 0.000 0.614 26 P HA -0.042 nan 4.420 nan 0.000 0.249 26 P C 1.032 178.208 177.300 -0.207 0.000 1.227 26 P CA 0.598 63.619 63.100 -0.132 0.000 0.753 26 P CB -0.325 31.323 31.700 -0.087 0.000 0.966 27 G N -0.489 108.171 108.800 -0.234 0.000 3.126 27 G HA2 0.155 4.115 3.960 -0.000 0.000 0.224 27 G HA3 0.155 4.115 3.960 -0.000 0.000 0.224 27 G C 1.099 175.669 174.900 -0.549 0.000 1.142 27 G CA -0.009 44.904 45.100 -0.313 0.000 0.759 27 G HN 0.407 nan 8.290 nan 0.000 0.550 28 L N -3.171 117.767 121.223 -0.475 0.000 2.730 28 L HA 0.530 4.870 4.340 -0.000 0.000 0.236 28 L C 1.522 178.119 176.870 -0.456 0.000 1.061 28 L CA 0.264 54.806 54.840 -0.497 0.000 0.898 28 L CB 0.384 42.316 42.059 -0.211 0.000 1.270 28 L HN -0.173 nan 8.230 nan 0.000 0.500 29 V N 1.466 121.180 119.914 -0.333 0.000 3.514 29 V HA 0.052 4.172 4.120 -0.000 0.000 0.301 29 V C 1.913 177.871 176.094 -0.226 0.000 1.346 29 V CA 1.116 63.281 62.300 -0.225 0.000 1.156 29 V CB -0.015 31.716 31.823 -0.153 0.000 1.029 29 V HN 0.784 nan 8.190 nan 0.000 0.428 30 Q N -1.200 118.369 119.800 -0.384 0.000 2.354 30 Q HA 0.061 4.401 4.340 -0.000 0.000 0.203 30 Q C 1.519 177.414 176.000 -0.175 0.000 0.933 30 Q CA 1.321 56.945 55.803 -0.297 0.000 0.901 30 Q CB -0.346 28.174 28.738 -0.363 0.000 1.007 30 Q HN 0.577 nan 8.270 nan 0.000 0.495 31 F N 0.947 120.849 119.950 -0.081 0.000 2.802 31 F HA 0.218 4.745 4.527 -0.000 0.000 0.300 31 F C 2.088 177.805 175.800 -0.138 0.000 1.168 31 F CA -0.341 57.596 58.000 -0.105 0.000 1.433 31 F CB -0.071 38.867 39.000 -0.104 0.000 1.115 31 F HN 0.246 nan 8.300 nan 0.000 0.582 32 A N 1.508 124.333 122.820 0.008 0.000 2.240 32 A HA -0.237 4.083 4.320 -0.000 0.000 0.199 32 A C 2.344 179.898 177.584 -0.049 0.000 1.172 32 A CA 1.320 53.337 52.037 -0.032 0.000 0.807 32 A CB -0.895 18.078 19.000 -0.046 0.000 0.830 32 A HN 0.189 nan 8.150 nan 0.000 0.527 33 R N -0.598 119.879 120.500 -0.038 0.000 2.228 33 R HA -0.281 4.059 4.340 -0.000 0.000 0.264 33 R C 2.296 178.555 176.300 -0.068 0.000 1.179 33 R CA 1.739 57.817 56.100 -0.037 0.000 0.998 33 R CB -1.116 29.171 30.300 -0.020 0.000 0.885 33 R HN 0.645 nan 8.270 nan 0.000 0.466 34 A N -0.168 122.603 122.820 -0.082 0.000 1.877 34 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 34 A C 1.544 178.812 177.584 -0.527 0.000 1.186 34 A CA 1.858 53.798 52.037 -0.162 0.000 0.620 34 A CB -0.287 18.676 19.000 -0.061 0.000 0.822 34 A HN 0.435 nan 8.150 nan 0.000 0.443 35 T N -1.571 112.650 114.554 -0.555 0.000 3.390 35 T HA 0.434 4.784 4.350 -0.000 0.000 0.315 35 T C 0.218 174.770 174.700 -0.246 0.000 1.799 35 T CA 0.210 61.820 62.100 -0.817 0.000 1.553 35 T CB 0.331 68.843 68.868 -0.593 0.000 1.002 35 T HN 0.576 nan 8.240 nan 0.000 0.715 36 E N 0.751 120.869 120.200 -0.137 0.000 2.498 36 E HA 0.063 4.413 4.350 -0.000 0.000 0.203 36 E C 0.700 177.326 176.600 0.043 0.000 1.013 36 E CA 0.041 56.431 56.400 -0.016 0.000 0.927 36 E CB 0.317 30.009 29.700 -0.013 0.000 1.012 36 E HN 0.613 nan 8.360 nan 0.000 0.482 37 T N -1.989 112.620 114.554 0.092 0.000 3.115 37 T HA 0.131 4.481 4.350 -0.000 0.000 0.256 37 T C 1.489 176.312 174.700 0.204 0.000 0.970 37 T CA -0.175 62.003 62.100 0.131 0.000 1.010 37 T CB -0.714 68.236 68.868 0.135 0.000 1.151 37 T HN 0.134 nan 8.240 nan 0.000 0.479 38 Y N 0.908 121.240 120.300 0.053 0.000 1.921 38 Y HA -0.116 4.434 4.550 -0.000 0.000 0.213 38 Y C 0.971 176.907 175.900 0.060 0.000 1.016 38 Y CA 0.737 58.878 58.100 0.068 0.000 0.984 38 Y CB -0.316 38.217 38.460 0.122 0.000 0.901 38 Y HN 0.112 nan 8.280 nan 0.000 0.535 39 F N 1.353 121.434 119.950 0.220 0.000 2.560 39 F HA 0.175 4.702 4.527 -0.000 0.000 0.338 39 F C 1.088 176.930 175.800 0.070 0.000 1.201 39 F CA -0.438 57.629 58.000 0.110 0.000 1.291 39 F CB -0.063 38.990 39.000 0.089 0.000 1.627 39 F HN 0.008 nan 8.300 nan 0.000 0.588 40 S N 1.860 117.632 115.700 0.121 0.000 2.498 40 S HA -0.245 4.225 4.470 -0.000 0.000 0.294 40 S C 1.303 175.966 174.600 0.105 0.000 0.959 40 S CA 0.429 58.683 58.200 0.090 0.000 0.962 40 S CB -1.046 62.177 63.200 0.038 0.000 0.709 40 S HN 0.454 nan 8.310 nan 0.000 0.522 41 L N 1.592 122.911 121.223 0.160 0.000 5.676 41 L HA -0.072 4.268 4.340 -0.000 0.000 0.254 41 L C 1.326 178.244 176.870 0.081 0.000 1.638 41 L CA 0.248 55.171 54.840 0.139 0.000 0.869 41 L CB -1.249 40.903 42.059 0.155 0.000 1.429 41 L HN 0.247 nan 8.230 nan 0.000 0.394 42 N N 0.956 119.701 118.700 0.075 0.000 2.187 42 N HA -0.011 4.729 4.740 -0.000 0.000 0.212 42 N C 1.039 176.597 175.510 0.081 0.000 1.152 42 N CA 0.025 53.111 53.050 0.061 0.000 0.872 42 N CB 0.487 39.001 38.487 0.045 0.000 1.025 42 N HN 0.571 nan 8.380 nan 0.000 0.514 43 N N -1.795 116.966 118.700 0.100 0.000 2.118 43 N HA 0.028 4.768 4.740 -0.000 0.000 0.226 43 N C 0.673 176.277 175.510 0.156 0.000 1.305 43 N CA -0.334 52.784 53.050 0.114 0.000 0.890 43 N CB 0.258 38.796 38.487 0.085 0.000 1.118 43 N HN -0.143 nan 8.380 nan 0.000 0.511 44 K N 1.230 121.738 120.400 0.179 0.000 2.127 44 K HA 0.025 4.345 4.320 -0.000 0.000 0.208 44 K C 0.457 177.299 176.600 0.404 0.000 1.047 44 K CA 1.175 57.610 56.287 0.247 0.000 0.927 44 K CB -0.250 32.377 32.500 0.212 0.000 0.716 44 K HN 0.261 nan 8.250 nan 0.000 0.450 45 F N -0.849 119.134 119.950 0.055 0.000 2.732 45 F HA 0.294 4.821 4.527 -0.000 0.000 0.394 45 F C 0.584 176.428 175.800 0.073 0.000 1.194 45 F CA -1.534 56.501 58.000 0.058 0.000 1.127 45 F CB 0.868 39.906 39.000 0.064 0.000 1.470 45 F HN -0.307 nan 8.300 nan 0.000 0.505 46 R N 1.565 122.211 120.500 0.244 0.000 2.196 46 R HA 0.227 4.567 4.340 -0.000 0.000 0.340 46 R C -1.464 174.976 176.300 0.232 0.000 1.043 46 R CA -0.298 55.900 56.100 0.164 0.000 0.883 46 R CB 0.148 30.504 30.300 0.094 0.000 1.078 46 R HN 0.394 nan 8.270 nan 0.000 0.462 47 N N 5.937 124.741 118.700 0.172 0.000 2.415 47 N HA 0.209 4.949 4.740 -0.000 0.000 0.250 47 N C -2.347 173.235 175.510 0.121 0.000 1.127 47 N CA -1.931 51.209 53.050 0.150 0.000 0.945 47 N CB 0.993 39.545 38.487 0.109 0.000 1.196 47 N HN 0.483 nan 8.380 nan 0.000 0.499 48 P HA -0.061 nan 4.420 nan 0.000 0.253 48 P C -0.823 176.523 177.300 0.077 0.000 1.159 48 P CA 0.519 63.684 63.100 0.107 0.000 0.779 48 P CB 0.073 31.823 31.700 0.084 0.000 0.745 49 T N 2.097 116.700 114.554 0.081 0.000 2.902 49 T HA 0.488 4.838 4.350 -0.000 0.000 0.283 49 T C 0.058 174.798 174.700 0.067 0.000 1.009 49 T CA -0.683 61.456 62.100 0.065 0.000 1.051 49 T CB 1.232 70.137 68.868 0.063 0.000 0.999 49 T HN -0.030 nan 8.240 nan 0.000 0.474 50 V N 1.428 121.372 119.914 0.050 0.000 2.495 50 V HA 0.769 4.888 4.120 -0.000 0.000 0.298 50 V C -0.116 176.005 176.094 0.044 0.000 1.031 50 V CA -1.037 61.290 62.300 0.044 0.000 0.871 50 V CB 1.484 33.321 31.823 0.024 0.000 0.988 50 V HN 1.150 nan 8.190 nan 0.000 0.432 51 A N 5.461 128.309 122.820 0.047 0.000 2.323 51 A HA 0.865 5.185 4.320 -0.000 0.000 0.305 51 A C -2.381 175.230 177.584 0.045 0.000 1.275 51 A CA -1.373 50.694 52.037 0.050 0.000 0.804 51 A CB 0.373 19.407 19.000 0.057 0.000 1.152 51 A HN 0.740 nan 8.150 nan 0.000 0.487 52 P HA 0.343 nan 4.420 nan 0.000 0.268 52 P C 0.483 177.823 177.300 0.065 0.000 1.205 52 P CA 0.102 63.239 63.100 0.061 0.000 0.771 52 P CB 0.713 32.457 31.700 0.074 0.000 0.858 53 T N -3.037 111.562 114.554 0.075 0.000 3.130 53 T HA -0.004 4.346 4.350 -0.000 0.000 0.288 53 T C 0.421 175.172 174.700 0.085 0.000 0.936 53 T CA -0.158 61.978 62.100 0.061 0.000 0.897 53 T CB -0.555 68.335 68.868 0.036 0.000 1.178 53 T HN 0.581 nan 8.240 nan 0.000 0.543 54 H N 3.621 122.693 119.070 0.003 0.000 3.325 54 H HA 0.023 4.579 4.556 -0.000 0.000 0.242 54 H C -0.058 175.275 175.328 0.009 0.000 1.117 54 H CA 0.275 56.324 56.048 0.002 0.000 1.470 54 H CB -0.183 29.579 29.762 -0.001 0.000 1.573 54 H HN 0.176 nan 8.280 nan 0.000 0.501 55 D N 3.112 123.412 120.400 -0.166 0.000 3.009 55 D HA -0.226 4.414 4.640 -0.000 0.000 0.223 55 D C 1.679 177.915 176.300 -0.107 0.000 1.192 55 D CA 1.159 55.054 54.000 -0.175 0.000 0.834 55 D CB -1.007 39.617 40.800 -0.294 0.000 1.088 55 D HN 0.560 nan 8.370 nan 0.000 0.403 56 V N -3.703 116.181 119.914 -0.049 0.000 2.949 56 V HA 0.026 4.146 4.120 -0.000 0.000 0.245 56 V C 1.590 177.707 176.094 0.038 0.000 1.086 56 V CA 1.299 63.603 62.300 0.006 0.000 1.097 56 V CB 0.271 32.115 31.823 0.036 0.000 0.762 56 V HN 0.196 nan 8.190 nan 0.000 0.470 57 T N 1.300 115.872 114.554 0.029 0.000 2.885 57 T HA 0.462 4.812 4.350 -0.000 0.000 0.356 57 T C 0.515 175.219 174.700 0.007 0.000 1.137 57 T CA 1.146 63.262 62.100 0.028 0.000 1.014 57 T CB 0.779 69.660 68.868 0.021 0.000 1.410 57 T HN 0.944 nan 8.240 nan 0.000 0.532 58 T N -1.479 113.070 114.554 -0.008 0.000 2.627 58 T HA 0.572 4.922 4.350 -0.000 0.000 0.294 58 T C -1.402 173.280 174.700 -0.030 0.000 1.230 58 T CA -0.638 61.444 62.100 -0.029 0.000 1.084 58 T CB 0.856 69.695 68.868 -0.048 0.000 1.693 58 T HN 0.459 nan 8.240 nan 0.000 0.465 59 D N -0.124 120.251 120.400 -0.042 0.000 4.507 59 D HA 0.134 4.774 4.640 -0.000 0.000 0.140 59 D C 0.055 176.328 176.300 -0.045 0.000 0.848 59 D CA -0.239 53.739 54.000 -0.036 0.000 0.709 59 D CB 0.274 41.058 40.800 -0.027 0.000 1.586 59 D HN 0.718 nan 8.370 nan 0.000 0.575 60 R N -1.283 119.180 120.500 -0.061 0.000 3.139 60 R HA 0.861 5.201 4.340 -0.000 0.000 0.218 60 R C 0.560 176.816 176.300 -0.074 0.000 1.637 60 R CA -0.495 55.561 56.100 -0.074 0.000 0.971 60 R CB 0.198 30.433 30.300 -0.109 0.000 2.211 60 R HN -0.088 nan 8.270 nan 0.000 0.535 61 S N -1.998 113.651 115.700 -0.085 0.000 3.728 61 S HA 0.367 4.837 4.470 -0.000 0.000 0.253 61 S C -1.498 173.049 174.600 -0.088 0.000 1.032 61 S CA -0.003 58.153 58.200 -0.073 0.000 1.323 61 S CB 0.303 63.470 63.200 -0.055 0.000 1.223 61 S HN 0.727 nan 8.310 nan 0.000 0.728 62 Q N 0.900 120.661 119.800 -0.066 0.000 1.944 62 Q HA -0.086 4.254 4.340 -0.000 0.000 0.260 62 Q C -0.380 175.596 176.000 -0.040 0.000 0.624 62 Q CA 0.047 55.816 55.803 -0.057 0.000 0.411 62 Q CB -0.569 28.114 28.738 -0.091 0.000 0.429 62 Q HN 0.762 nan 8.270 nan 0.000 0.323 63 R N 2.527 123.019 120.500 -0.014 0.000 2.309 63 R HA 0.077 4.417 4.340 -0.000 0.000 0.159 63 R C 1.406 177.708 176.300 0.003 0.000 0.734 63 R CA 2.310 58.408 56.100 -0.004 0.000 1.244 63 R CB -0.020 30.287 30.300 0.011 0.000 0.574 63 R HN 0.726 nan 8.270 nan 0.000 0.582 64 L N -4.332 116.919 121.223 0.046 0.000 1.227 64 L HA -0.042 4.298 4.340 -0.000 0.000 0.059 64 L C -0.787 176.172 176.870 0.148 0.000 1.492 64 L CA 0.353 55.248 54.840 0.092 0.000 1.140 64 L CB 0.256 42.334 42.059 0.032 0.000 2.319 64 L HN 0.472 nan 8.230 nan 0.000 0.445 65 T N 1.562 116.156 114.554 0.067 0.000 2.861 65 T HA 0.768 5.118 4.350 -0.000 0.000 0.287 65 T C -0.680 174.002 174.700 -0.030 0.000 1.003 65 T CA -0.334 61.791 62.100 0.043 0.000 0.977 65 T CB 2.705 71.594 68.868 0.035 0.000 0.996 65 T HN 0.032 nan 8.240 nan 0.000 0.448 66 L N 1.242 122.357 121.223 -0.180 0.000 2.303 66 L HA 0.613 4.953 4.340 -0.000 0.000 0.256 66 L C -0.058 176.448 176.870 -0.607 0.000 1.034 66 L CA -1.247 53.369 54.840 -0.373 0.000 0.832 66 L CB 2.052 43.816 42.059 -0.492 0.000 1.403 66 L HN 0.416 nan 8.230 nan 0.000 0.419 67 R N 1.077 121.264 120.500 -0.522 0.000 2.230 67 R HA 0.352 4.692 4.340 -0.000 0.000 0.337 67 R C -1.330 174.684 176.300 -0.476 0.000 1.063 67 R CA -0.045 55.757 56.100 -0.496 0.000 0.935 67 R CB 0.224 30.413 30.300 -0.185 0.000 1.121 67 R HN 0.333 nan 8.270 nan 0.000 0.486 68 F N 4.408 124.239 119.950 -0.199 0.000 2.425 68 F HA 0.321 4.848 4.527 -0.000 0.000 0.354 68 F C 0.509 176.362 175.800 0.090 0.000 1.162 68 F CA -0.548 57.418 58.000 -0.056 0.000 1.250 68 F CB 0.348 39.318 39.000 -0.050 0.000 1.579 68 F HN 0.270 nan 8.300 nan 0.000 0.589 69 I N 4.204 124.934 120.570 0.268 0.000 2.577 69 I HA 0.264 4.434 4.170 -0.000 0.000 0.305 69 I C -1.279 174.929 176.117 0.151 0.000 0.986 69 I CA -2.165 59.307 61.300 0.286 0.000 1.189 69 I CB 1.764 39.875 38.000 0.184 0.000 1.355 69 I HN 0.208 nan 8.210 nan 0.000 0.476 70 P HA -0.086 nan 4.420 nan 0.000 0.210 70 P C 0.533 177.818 177.300 -0.024 0.000 1.141 70 P CA 1.805 64.868 63.100 -0.061 0.000 0.757 70 P CB 0.419 32.002 31.700 -0.195 0.000 0.567 71 V N -7.260 112.630 119.914 -0.040 0.000 5.473 71 V HA 0.137 4.257 4.120 -0.000 0.000 0.793 71 V C -0.458 175.618 176.094 -0.029 0.000 2.435 71 V CA 0.148 62.437 62.300 -0.018 0.000 3.792 71 V CB -1.447 30.368 31.823 -0.015 0.000 0.854 71 V HN 0.191 nan 8.190 nan 0.000 0.526 72 D N 3.152 123.514 120.400 -0.064 0.000 2.438 72 D HA 0.439 5.079 4.640 -0.000 0.000 0.257 72 D C -0.007 176.230 176.300 -0.105 0.000 1.148 72 D CA -0.301 53.657 54.000 -0.069 0.000 0.902 72 D CB 0.968 41.717 40.800 -0.085 0.000 1.062 72 D HN 0.563 nan 8.370 nan 0.000 0.518 73 R N 2.140 122.612 120.500 -0.046 0.000 2.204 73 R HA 0.383 4.723 4.340 -0.000 0.000 0.341 73 R C -0.268 176.064 176.300 0.052 0.000 1.035 73 R CA -0.660 55.425 56.100 -0.024 0.000 0.887 73 R CB 0.760 31.113 30.300 0.088 0.000 1.114 73 R HN 0.040 nan 8.270 nan 0.000 0.473 74 E N 2.358 122.550 120.200 -0.013 0.000 2.069 74 E HA 0.081 4.431 4.350 -0.000 0.000 0.254 74 E C -0.740 176.047 176.600 0.312 0.000 1.088 74 E CA -0.246 56.203 56.400 0.081 0.000 1.017 74 E CB 0.207 29.888 29.700 -0.032 0.000 1.226 74 E HN 0.331 nan 8.360 nan 0.000 0.458 75 D N 2.110 122.751 120.400 0.402 0.000 2.736 75 D HA -0.063 4.577 4.640 -0.000 0.000 0.228 75 D C 0.368 176.804 176.300 0.227 0.000 1.077 75 D CA 0.277 54.474 54.000 0.328 0.000 1.096 75 D CB -0.388 40.564 40.800 0.254 0.000 1.138 75 D HN 0.260 nan 8.370 nan 0.000 0.461 76 T N -0.262 114.421 114.554 0.215 0.000 2.785 76 T HA 0.047 4.397 4.350 -0.000 0.000 0.341 76 T C 1.449 176.265 174.700 0.193 0.000 1.093 76 T CA 0.135 62.329 62.100 0.157 0.000 1.103 76 T CB 0.726 69.638 68.868 0.073 0.000 1.011 76 T HN 0.312 nan 8.240 nan 0.000 0.549 77 A N 2.436 125.399 122.820 0.239 0.000 2.206 77 A HA 0.165 4.485 4.320 -0.000 0.000 0.211 77 A C 0.839 178.658 177.584 0.392 0.000 1.158 77 A CA 1.044 53.243 52.037 0.271 0.000 0.761 77 A CB -0.452 18.685 19.000 0.228 0.000 0.801 77 A HN 1.013 nan 8.150 nan 0.000 0.473 78 Y N -2.080 118.361 120.300 0.236 0.000 2.810 78 Y HA 0.509 5.059 4.550 -0.000 0.000 0.255 78 Y C -0.255 175.931 175.900 0.476 0.000 0.979 78 Y CA -0.159 58.163 58.100 0.370 0.000 1.106 78 Y CB -0.132 38.494 38.460 0.277 0.000 1.209 78 Y HN 0.475 nan 8.280 nan 0.000 0.646 79 S N -0.799 114.981 115.700 0.133 0.000 2.606 79 S HA 0.328 4.798 4.470 -0.000 0.000 0.274 79 S C -2.329 172.381 174.600 0.183 0.000 1.092 79 S CA -0.779 57.574 58.200 0.254 0.000 1.013 79 S CB 0.526 63.797 63.200 0.118 0.000 1.223 79 S HN 0.636 nan 8.310 nan 0.000 0.464 80 Y N 1.030 121.309 120.300 -0.035 0.000 2.571 80 Y HA 0.681 5.231 4.550 -0.000 0.000 0.341 80 Y C -1.382 174.385 175.900 -0.222 0.000 1.076 80 Y CA -0.763 57.233 58.100 -0.175 0.000 1.029 80 Y CB 1.634 39.937 38.460 -0.263 0.000 1.308 80 Y HN 1.004 nan 8.280 nan 0.000 0.461 81 K N 3.910 123.947 120.400 -0.605 0.000 2.739 81 K HA 0.572 4.892 4.320 -0.000 0.000 0.288 81 K C -2.459 173.691 176.600 -0.750 0.000 1.142 81 K CA -0.285 55.633 56.287 -0.615 0.000 1.060 81 K CB 0.726 33.009 32.500 -0.361 0.000 1.338 81 K HN 0.635 nan 8.250 nan 0.000 0.514 82 A N 4.166 126.460 122.820 -0.878 0.000 2.258 82 A HA 0.614 4.934 4.320 -0.000 0.000 0.316 82 A C -0.753 176.330 177.584 -0.835 0.000 1.279 82 A CA -0.847 50.695 52.037 -0.825 0.000 0.876 82 A CB 0.514 19.005 19.000 -0.847 0.000 1.170 82 A HN 0.699 nan 8.150 nan 0.000 0.520 83 R N 1.734 121.850 120.500 -0.641 0.000 2.204 83 R HA 0.378 4.718 4.340 -0.000 0.000 0.341 83 R C -1.479 174.549 176.300 -0.452 0.000 1.035 83 R CA 0.058 55.873 56.100 -0.474 0.000 0.887 83 R CB 0.067 30.197 30.300 -0.283 0.000 1.114 83 R HN 0.591 nan 8.270 nan 0.000 0.473 84 F N 2.499 122.426 119.950 -0.039 0.000 2.515 84 F HA 0.121 4.648 4.527 -0.000 0.000 0.353 84 F C 0.648 176.448 175.800 0.001 0.000 1.213 84 F CA -0.684 57.312 58.000 -0.008 0.000 1.194 84 F CB 0.014 39.001 39.000 -0.022 0.000 1.488 84 F HN 0.407 nan 8.300 nan 0.000 0.619 85 T N 3.325 117.945 114.554 0.110 0.000 2.905 85 T HA 0.355 4.705 4.350 -0.000 0.000 0.299 85 T C 0.130 174.826 174.700 -0.007 0.000 1.024 85 T CA -0.268 61.856 62.100 0.040 0.000 1.151 85 T CB 0.556 69.442 68.868 0.030 0.000 0.987 85 T HN 0.553 nan 8.240 nan 0.000 0.535 86 L N -0.400 120.704 121.223 -0.198 0.000 2.619 86 L HA 1.033 5.373 4.340 -0.000 0.000 0.239 86 L C -0.924 175.620 176.870 -0.544 0.000 1.118 86 L CA -1.589 52.835 54.840 -0.694 0.000 1.146 86 L CB 0.815 42.279 42.059 -0.991 0.000 1.596 86 L HN 0.935 nan 8.230 nan 0.000 0.408 87 A N -0.628 121.763 122.820 -0.716 0.000 2.571 87 A HA 0.625 4.945 4.320 -0.000 0.000 0.296 87 A C -1.865 175.504 177.584 -0.358 0.000 1.005 87 A CA -0.213 51.578 52.037 -0.409 0.000 0.682 87 A CB 0.959 19.815 19.000 -0.239 0.000 1.292 87 A HN 0.871 nan 8.150 nan 0.000 0.420 88 V N 1.828 121.526 119.914 -0.359 0.000 2.349 88 V HA 0.612 4.732 4.120 -0.000 0.000 0.284 88 V C 1.124 177.143 176.094 -0.125 0.000 1.014 88 V CA -0.073 62.077 62.300 -0.250 0.000 0.826 88 V CB 1.041 32.604 31.823 -0.433 0.000 1.009 88 V HN 1.722 nan 8.190 nan 0.000 0.431 89 G N 3.062 111.876 108.800 0.023 0.000 2.760 89 G HA2 0.116 4.076 3.960 -0.000 0.000 0.236 89 G HA3 0.116 4.076 3.960 -0.000 0.000 0.236 89 G C -0.159 174.758 174.900 0.030 0.000 1.243 89 G CA 0.084 45.213 45.100 0.048 0.000 0.850 89 G HN 0.697 nan 8.290 nan 0.000 0.595 90 D N -0.480 119.936 120.400 0.026 0.000 2.384 90 D HA 0.113 4.753 4.640 -0.000 0.000 0.244 90 D C 1.531 177.840 176.300 0.015 0.000 1.251 90 D CA 0.422 54.432 54.000 0.017 0.000 0.961 90 D CB 0.410 41.224 40.800 0.024 0.000 1.116 90 D HN 0.577 nan 8.370 nan 0.000 0.484 91 N N -0.782 117.900 118.700 -0.031 0.000 2.880 91 N HA -0.306 4.434 4.740 -0.000 0.000 0.226 91 N C -0.417 174.975 175.510 -0.196 0.000 0.813 91 N CA 1.128 54.072 53.050 -0.176 0.000 1.196 91 N CB -0.742 37.552 38.487 -0.321 0.000 0.976 91 N HN 0.423 nan 8.380 nan 0.000 0.621 92 R N 1.640 122.119 120.500 -0.035 0.000 2.220 92 R HA 0.461 4.801 4.340 -0.000 0.000 0.340 92 R C 0.289 176.765 176.300 0.293 0.000 1.076 92 R CA -0.260 55.910 56.100 0.116 0.000 0.920 92 R CB 1.650 32.100 30.300 0.249 0.000 1.062 92 R HN 0.205 nan 8.270 nan 0.000 0.469 93 V N 2.700 122.797 119.914 0.304 0.000 3.096 93 V HA 0.646 4.766 4.120 -0.000 0.000 0.319 93 V C -0.647 175.713 176.094 0.443 0.000 1.103 93 V CA -0.700 61.766 62.300 0.277 0.000 1.016 93 V CB 1.823 33.745 31.823 0.164 0.000 1.090 93 V HN 0.748 nan 8.190 nan 0.000 0.449 94 L N 0.304 121.660 121.223 0.221 0.000 2.816 94 L HA 0.731 5.071 4.340 -0.000 0.000 0.245 94 L C -1.245 175.705 176.870 0.133 0.000 1.687 94 L CA -0.598 54.337 54.840 0.158 0.000 1.762 94 L CB 2.024 43.966 42.059 -0.195 0.000 2.007 94 L HN 0.862 nan 8.230 nan 0.000 0.558 95 D N 0.926 121.374 120.400 0.079 0.000 2.362 95 D HA 0.169 4.809 4.640 -0.000 0.000 0.232 95 D C 0.152 176.476 176.300 0.040 0.000 1.329 95 D CA -0.264 53.786 54.000 0.082 0.000 0.944 95 D CB 0.871 41.744 40.800 0.122 0.000 1.471 95 D HN 0.421 nan 8.370 nan 0.000 0.533 96 M N 0.989 120.601 119.600 0.019 0.000 2.838 96 M HA 0.053 4.533 4.480 -0.000 0.000 0.228 96 M C 1.228 177.550 176.300 0.036 0.000 1.023 96 M CA 0.331 55.639 55.300 0.014 0.000 1.072 96 M CB -1.332 31.282 32.600 0.024 0.000 1.566 96 M HN 0.252 nan 8.290 nan 0.000 0.556 97 A N 0.771 123.621 122.820 0.049 0.000 2.123 97 A HA 0.037 4.357 4.320 -0.000 0.000 0.214 97 A C 2.285 179.890 177.584 0.035 0.000 1.152 97 A CA 1.086 53.160 52.037 0.062 0.000 0.728 97 A CB -0.294 18.753 19.000 0.079 0.000 0.814 97 A HN 0.635 nan 8.150 nan 0.000 0.464 98 S N 0.214 115.917 115.700 0.005 0.000 2.501 98 S HA -0.002 4.468 4.470 -0.000 0.000 0.220 98 S C 1.224 175.767 174.600 -0.096 0.000 0.997 98 S CA 0.554 58.725 58.200 -0.049 0.000 0.919 98 S CB -1.324 61.845 63.200 -0.051 0.000 0.778 98 S HN 0.716 nan 8.310 nan 0.000 0.523 99 T N 1.066 115.595 114.554 -0.042 0.000 2.701 99 T HA 0.199 4.549 4.350 -0.000 0.000 0.354 99 T C -0.284 174.444 174.700 0.046 0.000 1.085 99 T CA 0.478 62.569 62.100 -0.015 0.000 1.094 99 T CB -0.290 68.592 68.868 0.023 0.000 1.010 99 T HN 1.283 nan 8.240 nan 0.000 0.548 100 Y N -1.407 118.845 120.300 -0.079 0.000 3.032 100 Y HA 0.340 4.890 4.550 -0.000 0.000 0.427 100 Y C -2.686 173.214 175.900 0.001 0.000 1.051 100 Y CA -2.915 55.005 58.100 -0.299 0.000 1.464 100 Y CB -0.532 37.853 38.460 -0.125 0.000 1.735 100 Y HN 0.868 nan 8.280 nan 0.000 0.542 101 F N 1.965 122.063 119.950 0.246 0.000 2.547 101 F HA 0.495 5.022 4.527 -0.000 0.000 0.316 101 F C -0.258 175.471 175.800 -0.118 0.000 1.121 101 F CA -1.145 56.926 58.000 0.118 0.000 0.911 101 F CB 1.836 40.781 39.000 -0.091 0.000 1.179 101 F HN 0.471 nan 8.300 nan 0.000 0.443 102 D N 3.390 123.970 120.400 0.300 0.000 2.316 102 D HA 0.342 4.982 4.640 -0.000 0.000 0.245 102 D C -0.413 176.035 176.300 0.246 0.000 1.171 102 D CA 0.078 54.136 54.000 0.096 0.000 0.856 102 D CB 0.919 41.828 40.800 0.181 0.000 1.090 102 D HN 0.419 nan 8.370 nan 0.000 0.476 103 I N 3.316 123.999 120.570 0.190 0.000 2.713 103 I HA 0.387 4.557 4.170 -0.000 0.000 0.300 103 I C 0.683 176.982 176.117 0.303 0.000 1.009 103 I CA -0.251 61.223 61.300 0.290 0.000 1.305 103 I CB 0.944 39.111 38.000 0.279 0.000 1.430 103 I HN 0.287 nan 8.210 nan 0.000 0.546 104 R N 1.709 122.365 120.500 0.260 0.000 2.668 104 R HA 0.819 5.159 4.340 -0.000 0.000 0.272 104 R C -0.902 175.219 176.300 -0.298 0.000 1.019 104 R CA -0.541 55.579 56.100 0.034 0.000 0.894 104 R CB 2.225 32.572 30.300 0.078 0.000 1.228 104 R HN 0.905 nan 8.270 nan 0.000 0.460 105 G N -0.118 108.312 108.800 -0.617 0.000 2.369 105 G HA2 0.163 4.123 3.960 -0.000 0.000 0.307 105 G HA3 0.163 4.123 3.960 -0.000 0.000 0.307 105 G C -1.246 173.125 174.900 -0.882 0.000 1.327 105 G CA -0.504 44.131 45.100 -0.775 0.000 0.963 105 G HN 0.358 nan 8.290 nan 0.000 0.590 106 V N -0.283 119.339 119.914 -0.487 0.000 5.409 106 V HA 0.932 5.052 4.120 -0.000 0.000 0.160 106 V C 0.946 177.001 176.094 -0.065 0.000 1.399 106 V CA 0.898 63.071 62.300 -0.210 0.000 1.277 106 V CB 0.207 31.974 31.823 -0.093 0.000 1.731 106 V HN 1.947 nan 8.190 nan 0.000 0.376 107 L N -1.175 120.036 121.223 -0.019 0.000 3.124 107 L HA 0.111 4.451 4.340 -0.000 0.000 0.247 107 L C -2.374 174.492 176.870 -0.007 0.000 0.894 107 L CA -0.152 54.695 54.840 0.011 0.000 1.097 107 L CB 0.240 42.380 42.059 0.135 0.000 1.662 107 L HN 0.658 nan 8.230 nan 0.000 0.420 108 D N -0.783 119.591 120.400 -0.044 0.000 2.927 108 D HA 0.499 5.139 4.640 -0.000 0.000 0.219 108 D C -0.691 175.555 176.300 -0.091 0.000 1.248 108 D CA -0.449 53.492 54.000 -0.098 0.000 0.861 108 D CB 2.053 42.771 40.800 -0.137 0.000 1.677 108 D HN 0.435 nan 8.370 nan 0.000 0.511 109 R N 0.997 121.440 120.500 -0.096 0.000 2.334 109 R HA 0.397 4.737 4.340 -0.000 0.000 0.220 109 R C 0.756 177.064 176.300 0.014 0.000 0.917 109 R CA 0.172 56.184 56.100 -0.148 0.000 1.073 109 R CB 0.254 30.353 30.300 -0.335 0.000 1.056 109 R HN 0.619 nan 8.270 nan 0.000 0.506 110 G N 2.743 111.569 108.800 0.043 0.000 3.374 110 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.630 110 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.630 110 G C -2.373 172.662 174.900 0.225 0.000 1.657 110 G CA -0.906 44.245 45.100 0.085 0.000 1.236 110 G HN 0.094 nan 8.290 nan 0.000 0.593 111 P HA 0.277 nan 4.420 nan 0.000 0.273 111 P C 0.360 177.652 177.300 -0.014 0.000 1.428 111 P CA 0.517 63.599 63.100 -0.030 0.000 0.995 111 P CB 0.191 31.861 31.700 -0.051 0.000 1.286 112 T N -0.049 114.475 114.554 -0.049 0.000 4.643 112 T HA 0.085 4.435 4.350 -0.000 0.000 0.307 112 T C 0.166 174.814 174.700 -0.086 0.000 0.936 112 T CA -0.296 61.785 62.100 -0.032 0.000 0.626 112 T CB -1.340 67.557 68.868 0.050 0.000 0.965 112 T HN 0.311 nan 8.240 nan 0.000 0.670 113 F N 0.406 120.243 119.950 -0.189 0.000 2.732 113 F HA 0.948 5.475 4.527 -0.000 0.000 0.394 113 F C -0.652 174.984 175.800 -0.273 0.000 1.194 113 F CA -1.286 56.577 58.000 -0.229 0.000 1.127 113 F CB 1.175 40.062 39.000 -0.189 0.000 1.470 113 F HN -0.197 nan 8.300 nan 0.000 0.505 114 K N 0.252 120.587 120.400 -0.109 0.000 2.589 114 K HA 0.180 4.500 4.320 -0.000 0.000 0.298 114 K C -2.664 173.697 176.600 -0.398 0.000 1.136 114 K CA -1.147 54.931 56.287 -0.348 0.000 1.020 114 K CB 2.123 34.378 32.500 -0.407 0.000 1.345 114 K HN 0.205 nan 8.250 nan 0.000 0.478 115 P HA -0.112 nan 4.420 nan 0.000 0.231 115 P C -0.768 176.087 177.300 -0.742 0.000 1.158 115 P CA 1.230 63.941 63.100 -0.649 0.000 0.763 115 P CB -0.025 31.267 31.700 -0.681 0.000 0.805 116 Y N -4.895 115.194 120.300 -0.352 0.000 2.940 116 Y HA 0.533 5.083 4.550 -0.000 0.000 0.310 116 Y C -0.461 175.279 175.900 -0.266 0.000 1.629 116 Y CA -1.315 56.607 58.100 -0.298 0.000 1.094 116 Y CB -0.063 38.364 38.460 -0.055 0.000 2.429 116 Y HN -0.412 nan 8.280 nan 0.000 0.392 117 S N -0.393 115.408 115.700 0.169 0.000 2.569 117 S HA 0.850 5.320 4.470 -0.000 0.000 0.280 117 S C -0.149 174.508 174.600 0.095 0.000 1.111 117 S CA -0.423 57.824 58.200 0.078 0.000 0.887 117 S CB 1.615 64.858 63.200 0.072 0.000 1.095 117 S HN 2.108 nan 8.310 nan 0.000 0.476 118 G N 0.748 109.579 108.800 0.052 0.000 2.526 118 G HA2 0.303 4.263 3.960 -0.000 0.000 0.250 118 G HA3 0.303 4.263 3.960 -0.000 0.000 0.250 118 G C -0.577 174.301 174.900 -0.037 0.000 1.289 118 G CA -0.243 44.888 45.100 0.051 0.000 0.947 118 G HN 2.074 nan 8.290 nan 0.000 0.517 119 T N -2.816 111.686 114.554 -0.088 0.000 3.293 119 T HA 0.910 5.260 4.350 -0.000 0.000 0.320 119 T C 0.369 175.115 174.700 0.076 0.000 0.995 119 T CA 0.695 62.717 62.100 -0.130 0.000 1.041 119 T CB 1.116 69.700 68.868 -0.473 0.000 1.058 119 T HN 2.325 nan 8.240 nan 0.000 0.453 120 A N 2.461 125.364 122.820 0.138 0.000 3.293 120 A HA 0.748 5.068 4.320 -0.000 0.000 0.163 120 A C 0.608 178.352 177.584 0.267 0.000 2.052 120 A CA -0.206 51.906 52.037 0.124 0.000 1.062 120 A CB -0.902 18.052 19.000 -0.077 0.000 1.908 120 A HN 1.330 nan 8.150 nan 0.000 0.790 121 Y N -1.329 119.005 120.300 0.056 0.000 4.899 121 Y HA -0.197 4.353 4.550 -0.000 0.000 0.241 121 Y C 0.597 176.555 175.900 0.097 0.000 0.976 121 Y CA 1.317 59.458 58.100 0.067 0.000 1.952 121 Y CB -1.225 37.285 38.460 0.084 0.000 1.496 121 Y HN 0.611 nan 8.280 nan 0.000 0.545 122 N N -2.154 116.693 118.700 0.246 0.000 3.403 122 N HA 0.344 5.084 4.740 -0.000 0.000 0.154 122 N C 0.938 176.571 175.510 0.205 0.000 1.072 122 N CA 0.487 53.657 53.050 0.199 0.000 2.513 122 N CB -0.237 38.381 38.487 0.218 0.000 1.437 122 N HN 0.253 nan 8.380 nan 0.000 0.744 123 A N 1.107 124.024 122.820 0.160 0.000 2.459 123 A HA -0.243 4.077 4.320 -0.000 0.000 0.242 123 A C 1.817 179.460 177.584 0.098 0.000 1.846 123 A CA 1.790 53.912 52.037 0.143 0.000 1.011 123 A CB -0.974 18.064 19.000 0.064 0.000 0.686 123 A HN 0.416 nan 8.150 nan 0.000 0.510 124 L N -0.716 120.516 121.223 0.016 0.000 2.395 124 L HA 0.175 4.515 4.340 -0.000 0.000 0.218 124 L C 1.562 178.360 176.870 -0.119 0.000 1.130 124 L CA 0.380 55.182 54.840 -0.063 0.000 0.826 124 L CB -0.427 41.608 42.059 -0.040 0.000 0.941 124 L HN 0.563 nan 8.230 nan 0.000 0.451 125 A N 1.768 124.552 122.820 -0.060 0.000 2.513 125 A HA 0.195 4.515 4.320 -0.000 0.000 0.274 125 A C -2.292 175.172 177.584 -0.199 0.000 1.115 125 A CA -0.921 51.079 52.037 -0.063 0.000 0.792 125 A CB -0.791 18.221 19.000 0.019 0.000 1.053 125 A HN 0.077 nan 8.150 nan 0.000 0.515 126 P HA 0.211 nan 4.420 nan 0.000 0.276 126 P C 0.424 177.608 177.300 -0.194 0.000 1.243 126 P CA -0.465 62.428 63.100 -0.346 0.000 0.768 126 P CB 0.835 32.408 31.700 -0.212 0.000 0.856 127 K N 2.178 122.471 120.400 -0.178 0.000 2.728 127 K HA -0.266 4.054 4.320 -0.000 0.000 0.202 127 K C 1.323 177.960 176.600 0.062 0.000 0.892 127 K CA 2.278 58.629 56.287 0.107 0.000 0.885 127 K CB -2.027 30.553 32.500 0.133 0.000 1.360 127 K HN 0.644 nan 8.250 nan 0.000 0.539 128 G N -0.426 108.381 108.800 0.011 0.000 2.457 128 G HA2 0.536 4.496 3.960 -0.000 0.000 0.316 128 G HA3 0.536 4.496 3.960 -0.000 0.000 0.316 128 G C -0.525 174.376 174.900 0.002 0.000 1.030 128 G CA 0.004 45.111 45.100 0.012 0.000 1.073 128 G HN 0.574 nan 8.290 nan 0.000 0.430 129 A N 3.996 126.824 122.820 0.013 0.000 2.012 129 A HA 0.463 4.783 4.320 -0.000 0.000 0.237 129 A C -2.799 174.794 177.584 0.015 0.000 1.940 129 A CA -0.768 51.274 52.037 0.009 0.000 1.903 129 A CB 0.150 19.151 19.000 0.002 0.000 0.745 129 A HN 0.485 nan 8.150 nan 0.000 0.926 130 P HA 0.162 nan 4.420 nan 0.000 0.269 130 P C -0.479 176.818 177.300 -0.005 0.000 1.211 130 P CA 0.239 63.341 63.100 0.003 0.000 0.781 130 P CB 0.460 32.155 31.700 -0.008 0.000 0.877 131 N N 1.592 120.289 118.700 -0.005 0.000 2.443 131 N HA 0.213 4.953 4.740 -0.000 0.000 0.269 131 N C -2.498 173.000 175.510 -0.019 0.000 0.985 131 N CA -1.782 51.264 53.050 -0.008 0.000 0.921 131 N CB 0.484 38.975 38.487 0.007 0.000 1.195 131 N HN 0.211 nan 8.380 nan 0.000 0.492 132 P HA -0.132 nan 4.420 nan 0.000 0.148 132 P C 0.417 177.700 177.300 -0.029 0.000 0.756 132 P CA 0.287 63.358 63.100 -0.047 0.000 1.236 132 P CB -0.384 31.282 31.700 -0.057 0.000 1.438 133 C N 1.647 120.937 119.300 -0.016 0.000 3.096 133 C HA 0.281 4.741 4.460 -0.000 0.000 0.284 133 C C 0.923 175.925 174.990 0.020 0.000 1.379 133 C CA 0.278 59.298 59.018 0.003 0.000 1.686 133 C CB -0.714 27.032 27.740 0.010 0.000 2.129 133 C HN 0.497 nan 8.230 nan 0.000 0.586 134 E N -2.826 117.408 120.200 0.057 0.000 4.177 134 E HA 0.165 4.515 4.350 -0.000 0.000 0.428 134 E C -2.221 174.525 176.600 0.244 0.000 1.284 134 E CA -0.302 56.166 56.400 0.114 0.000 2.060 134 E CB -0.000 29.739 29.700 0.065 0.000 1.156 134 E HN 0.457 nan 8.360 nan 0.000 0.333 135 W N 2.096 123.428 121.300 0.054 0.000 3.137 135 W HA 0.484 5.144 4.660 -0.000 0.000 0.324 135 W C -0.670 175.901 176.519 0.086 0.000 1.253 135 W CA -0.282 57.115 57.345 0.088 0.000 1.183 135 W CB 0.412 29.954 29.460 0.138 0.000 1.424 135 W HN 0.481 nan 8.180 nan 0.000 0.566 167 H N -0.074 118.685 119.070 -0.518 0.000 3.046 167 H HA 0.769 5.325 4.556 -0.000 0.000 0.361 167 H C -0.771 174.434 175.328 -0.206 0.000 1.235 167 H CA -1.210 54.463 56.048 -0.625 0.000 1.146 167 H CB 2.257 30.968 29.762 -1.751 0.000 1.859 167 H HN 0.243 nan 8.280 nan 0.000 0.548 168 V N -0.513 119.532 119.914 0.219 0.000 3.279 168 V HA 0.708 4.828 4.120 -0.000 0.000 0.296 168 V C -1.690 174.816 176.094 0.688 0.000 1.470 168 V CA -1.345 61.185 62.300 0.384 0.000 1.065 168 V CB 2.189 34.136 31.823 0.205 0.000 1.124 168 V HN 0.959 nan 8.190 nan 0.000 0.461 169 F N -1.147 118.897 119.950 0.156 0.000 3.675 169 F HA 0.754 5.281 4.527 -0.000 0.000 0.354 169 F C -0.196 175.660 175.800 0.095 0.000 0.954 169 F CA 0.008 58.090 58.000 0.137 0.000 1.599 169 F CB -0.280 38.804 39.000 0.140 0.000 1.991 169 F HN 1.026 nan 8.300 nan 0.000 0.862 170 G N 1.609 110.427 108.800 0.030 0.000 3.244 170 G HA2 0.703 4.663 3.960 -0.000 0.000 0.197 170 G HA3 0.703 4.663 3.960 -0.000 0.000 0.197 170 G C -1.074 173.836 174.900 0.018 0.000 1.531 170 G CA -0.064 45.009 45.100 -0.045 0.000 0.747 170 G HN 0.818 nan 8.290 nan 0.000 0.763 171 Q N -2.232 117.571 119.800 0.005 0.000 2.994 171 Q HA 0.473 4.813 4.340 -0.000 0.000 0.287 171 Q C -2.432 173.584 176.000 0.028 0.000 0.916 171 Q CA -0.341 55.481 55.803 0.031 0.000 0.806 171 Q CB 1.170 29.932 28.738 0.040 0.000 1.711 171 Q HN 1.552 nan 8.270 nan 0.000 0.477 172 A N 2.508 125.355 122.820 0.046 0.000 2.521 172 A HA 0.640 4.960 4.320 -0.000 0.000 0.298 172 A C -3.005 174.624 177.584 0.075 0.000 1.044 172 A CA -0.643 51.427 52.037 0.056 0.000 0.911 172 A CB 1.241 20.270 19.000 0.048 0.000 1.376 172 A HN 0.423 nan 8.150 nan 0.000 0.392 173 P HA 0.775 nan 4.420 nan 0.000 0.292 173 P C -0.701 176.728 177.300 0.216 0.000 1.304 173 P CA -0.707 62.470 63.100 0.128 0.000 0.848 173 P CB 0.748 32.522 31.700 0.124 0.000 1.260 174 Y N -1.907 118.411 120.300 0.030 0.000 2.722 174 Y HA -0.181 4.369 4.550 -0.000 0.000 0.022 174 Y C 0.464 176.363 175.900 -0.001 0.000 2.020 174 Y CA -0.535 57.577 58.100 0.021 0.000 1.280 174 Y CB -1.185 37.290 38.460 0.025 0.000 1.953 174 Y HN 0.515 nan 8.280 nan 0.000 0.273 175 S N 2.334 117.955 115.700 -0.132 0.000 3.582 175 S HA 0.391 4.861 4.470 -0.000 0.000 0.279 175 S C 0.420 174.776 174.600 -0.406 0.000 1.588 175 S CA 1.254 59.286 58.200 -0.281 0.000 1.217 175 S CB 0.016 63.086 63.200 -0.216 0.000 0.731 175 S HN 1.784 nan 8.310 nan 0.000 0.435 176 G N -1.067 107.559 108.800 -0.289 0.000 2.307 176 G HA2 0.150 4.110 3.960 -0.000 0.000 0.348 176 G HA3 0.150 4.110 3.960 -0.000 0.000 0.348 176 G C -0.032 174.770 174.900 -0.162 0.000 1.603 176 G CA -0.417 44.538 45.100 -0.241 0.000 0.961 176 G HN 0.483 nan 8.290 nan 0.000 0.686 177 I N 0.509 120.986 120.570 -0.155 0.000 2.951 177 I HA 0.034 4.204 4.170 -0.000 0.000 0.203 177 I C 1.362 177.307 176.117 -0.287 0.000 1.047 177 I CA 0.270 61.457 61.300 -0.187 0.000 1.399 177 I CB -0.090 37.834 38.000 -0.125 0.000 1.246 177 I HN 0.574 nan 8.210 nan 0.000 0.411 178 N N 1.994 120.580 118.700 -0.190 0.000 2.426 178 N HA 0.112 4.852 4.740 -0.000 0.000 0.275 178 N C -0.839 174.674 175.510 0.006 0.000 1.019 178 N CA -0.316 52.639 53.050 -0.157 0.000 0.941 178 N CB 1.230 39.669 38.487 -0.079 0.000 1.123 178 N HN 0.119 nan 8.380 nan 0.000 0.486 179 I N 3.794 124.456 120.570 0.154 0.000 2.436 179 I HA 0.080 4.250 4.170 -0.000 0.000 0.289 179 I C 0.532 176.734 176.117 0.142 0.000 1.083 179 I CA 0.325 61.723 61.300 0.163 0.000 1.372 179 I CB 0.071 38.201 38.000 0.217 0.000 1.408 179 I HN 0.567 nan 8.210 nan 0.000 0.516 180 T N 5.367 119.963 114.554 0.070 0.000 2.773 180 T HA 0.393 4.743 4.350 -0.000 0.000 0.278 180 T C 0.753 175.385 174.700 -0.114 0.000 1.011 180 T CA -0.784 61.323 62.100 0.012 0.000 1.014 180 T CB 2.461 71.325 68.868 -0.007 0.000 1.293 180 T HN 0.419 nan 8.240 nan 0.000 0.554 181 K N 0.010 120.290 120.400 -0.199 0.000 2.360 181 K HA 0.182 4.502 4.320 -0.000 0.000 0.196 181 K C 1.110 177.577 176.600 -0.222 0.000 1.049 181 K CA 0.426 56.516 56.287 -0.328 0.000 1.049 181 K CB 0.461 32.692 32.500 -0.448 0.000 0.881 181 K HN 0.795 nan 8.250 nan 0.000 0.542 182 E N -0.288 119.799 120.200 -0.189 0.000 2.498 182 E HA 0.149 4.499 4.350 -0.000 0.000 0.203 182 E C -0.445 176.052 176.600 -0.171 0.000 1.013 182 E CA -0.051 56.204 56.400 -0.240 0.000 0.927 182 E CB 0.604 30.060 29.700 -0.407 0.000 1.012 182 E HN 0.289 nan 8.360 nan 0.000 0.482 183 G N 1.129 109.920 108.800 -0.016 0.000 2.397 183 G HA2 0.008 3.968 3.960 -0.000 0.000 0.453 183 G HA3 0.008 3.968 3.960 -0.000 0.000 0.453 183 G C -1.200 173.776 174.900 0.126 0.000 1.579 183 G CA -0.688 44.521 45.100 0.182 0.000 0.906 183 G HN 0.162 nan 8.290 nan 0.000 0.675 184 I N 0.402 121.034 120.570 0.102 0.000 2.834 184 I HA 0.561 4.731 4.170 -0.000 0.000 0.305 184 I C 0.414 176.567 176.117 0.060 0.000 1.008 184 I CA -0.684 60.649 61.300 0.055 0.000 1.273 184 I CB 1.560 39.574 38.000 0.023 0.000 1.432 184 I HN 0.668 nan 8.210 nan 0.000 0.557 185 Q N 4.090 123.900 119.800 0.016 0.000 2.257 185 Q HA 0.546 4.886 4.340 -0.000 0.000 0.262 185 Q C 0.048 176.030 176.000 -0.030 0.000 0.997 185 Q CA -0.160 55.647 55.803 0.008 0.000 0.873 185 Q CB 2.451 31.195 28.738 0.010 0.000 1.312 185 Q HN 0.680 nan 8.270 nan 0.000 0.450 186 I N -0.664 119.894 120.570 -0.019 0.000 4.612 186 I HA 0.047 4.217 4.170 -0.000 0.000 0.382 186 I C 0.595 176.705 176.117 -0.012 0.000 0.697 186 I CA 0.536 61.821 61.300 -0.024 0.000 1.470 186 I CB 0.066 38.048 38.000 -0.030 0.000 3.230 186 I HN 0.753 nan 8.210 nan 0.000 0.963 187 G N 1.180 109.970 108.800 -0.016 0.000 2.986 187 G HA2 0.127 4.087 3.960 -0.000 0.000 0.213 187 G HA3 0.127 4.087 3.960 -0.000 0.000 0.213 187 G C 0.786 175.666 174.900 -0.034 0.000 1.156 187 G CA 0.660 45.742 45.100 -0.029 0.000 0.763 187 G HN 0.255 nan 8.290 nan 0.000 0.547 188 V N 2.868 122.773 119.914 -0.015 0.000 2.841 188 V HA -0.085 4.035 4.120 -0.000 0.000 0.252 188 V C 1.629 177.721 176.094 -0.003 0.000 0.951 188 V CA 0.810 63.112 62.300 0.002 0.000 1.170 188 V CB -0.797 31.033 31.823 0.012 0.000 0.936 188 V HN 0.665 nan 8.190 nan 0.000 0.473 189 E N 4.852 125.046 120.200 -0.010 0.000 2.482 189 E HA -0.113 4.237 4.350 -0.000 0.000 0.209 189 E C 1.500 178.100 176.600 0.001 0.000 1.192 189 E CA 0.793 57.189 56.400 -0.008 0.000 0.948 189 E CB -0.895 28.798 29.700 -0.011 0.000 0.907 189 E HN 1.422 nan 8.360 nan 0.000 0.597 190 G N 0.672 109.474 108.800 0.004 0.000 3.163 190 G HA2 -0.504 3.456 3.960 -0.000 0.000 0.227 190 G HA3 -0.504 3.456 3.960 -0.000 0.000 0.227 190 G C 0.711 175.616 174.900 0.008 0.000 1.300 190 G CA 0.941 46.044 45.100 0.005 0.000 0.867 190 G HN 0.545 nan 8.290 nan 0.000 0.533 191 Q N 1.478 121.283 119.800 0.009 0.000 2.843 191 Q HA 0.410 4.750 4.340 -0.000 0.000 0.326 191 Q C 0.989 177.002 176.000 0.020 0.000 1.140 191 Q CA 1.206 57.016 55.803 0.013 0.000 0.606 191 Q CB -1.015 27.730 28.738 0.011 0.000 4.882 191 Q HN 0.625 nan 8.270 nan 0.000 0.366 192 T N 3.040 117.610 114.554 0.027 0.000 2.708 192 T HA 0.130 4.480 4.350 -0.000 0.000 0.271 192 T C -2.398 172.333 174.700 0.052 0.000 0.985 192 T CA -0.648 61.477 62.100 0.042 0.000 1.229 192 T CB -0.358 68.542 68.868 0.053 0.000 0.934 192 T HN 0.367 nan 8.240 nan 0.000 0.522 193 P HA 0.081 nan 4.420 nan 0.000 0.256 193 P C 0.680 178.051 177.300 0.117 0.000 1.189 193 P CA -0.002 63.134 63.100 0.059 0.000 0.808 193 P CB 0.391 32.118 31.700 0.044 0.000 0.793 194 K N 3.303 123.753 120.400 0.083 0.000 2.910 194 K HA -0.076 4.244 4.320 -0.000 0.000 0.339 194 K C 0.654 177.409 176.600 0.259 0.000 1.031 194 K CA 1.363 57.688 56.287 0.064 0.000 1.014 194 K CB -0.023 32.386 32.500 -0.152 0.000 0.869 194 K HN 0.497 nan 8.250 nan 0.000 0.531 195 Y N -4.383 115.925 120.300 0.013 0.000 1.826 195 Y HA 0.451 5.001 4.550 -0.000 0.000 0.065 195 Y C -1.353 174.562 175.900 0.025 0.000 1.542 195 Y CA -0.653 57.454 58.100 0.013 0.000 1.573 195 Y CB 0.081 38.549 38.460 0.013 0.000 2.159 195 Y HN 0.338 nan 8.280 nan 0.000 0.175 196 A N 0.165 123.115 122.820 0.217 0.000 2.454 196 A HA 0.656 4.976 4.320 -0.000 0.000 0.302 196 A C -0.637 177.012 177.584 0.107 0.000 1.079 196 A CA 0.323 52.447 52.037 0.145 0.000 0.731 196 A CB 1.705 20.844 19.000 0.232 0.000 1.299 196 A HN 0.620 nan 8.150 nan 0.000 0.413 197 D N 0.277 120.719 120.400 0.069 0.000 2.844 197 D HA 0.244 4.884 4.640 -0.000 0.000 0.271 197 D C 0.767 177.124 176.300 0.095 0.000 1.386 197 D CA 1.789 55.842 54.000 0.088 0.000 1.053 197 D CB -0.046 40.828 40.800 0.123 0.000 1.107 197 D HN 0.980 nan 8.370 nan 0.000 0.395 198 K N -2.990 117.438 120.400 0.046 0.000 3.581 198 K HA -0.241 4.079 4.320 -0.000 0.000 0.721 198 K C 0.289 176.962 176.600 0.120 0.000 1.929 198 K CA 1.828 58.067 56.287 -0.081 0.000 1.182 198 K CB -1.917 30.435 32.500 -0.246 0.000 2.118 198 K HN 0.376 nan 8.250 nan 0.000 0.337 199 T N -2.891 111.657 114.554 -0.009 0.000 9.815 199 T HA -0.280 4.070 4.350 -0.000 0.000 0.346 199 T C 0.762 175.562 174.700 0.166 0.000 1.898 199 T CA 2.525 64.669 62.100 0.073 0.000 3.039 199 T CB -2.037 66.902 68.868 0.118 0.000 2.233 199 T HN 1.479 nan 8.240 nan 0.000 0.906 200 F N -0.329 119.571 119.950 -0.084 0.000 2.897 200 F HA 0.612 5.139 4.527 -0.000 0.000 0.364 200 F C 0.309 176.079 175.800 -0.050 0.000 0.940 200 F CA -0.702 57.266 58.000 -0.053 0.000 1.106 200 F CB 0.378 39.361 39.000 -0.029 0.000 1.034 200 F HN 0.336 nan 8.300 nan 0.000 0.583 201 Q N 1.882 121.169 119.800 -0.855 0.000 2.252 201 Q HA 0.361 4.701 4.340 -0.000 0.000 0.256 201 Q C -1.775 174.009 176.000 -0.360 0.000 1.020 201 Q CA -2.075 53.273 55.803 -0.759 0.000 0.913 201 Q CB 2.356 30.519 28.738 -0.958 0.000 1.286 201 Q HN -0.152 nan 8.270 nan 0.000 0.480 202 P HA -0.152 nan 4.420 nan 0.000 0.215 202 P C -0.926 176.302 177.300 -0.119 0.000 1.153 202 P CA 1.260 64.326 63.100 -0.057 0.000 0.853 202 P CB 0.383 32.170 31.700 0.145 0.000 0.788 203 E N -1.946 118.198 120.200 -0.094 0.000 7.576 203 E HA -0.043 4.307 4.350 -0.000 0.000 0.451 203 E C -2.767 173.800 176.600 -0.055 0.000 0.533 203 E CA -0.322 56.021 56.400 -0.094 0.000 1.249 203 E CB -0.885 28.726 29.700 -0.149 0.000 0.953 203 E HN 0.089 nan 8.360 nan 0.000 0.262 204 P HA 0.201 nan 4.420 nan 0.000 0.214 204 P C -0.462 176.823 177.300 -0.024 0.000 1.849 204 P CA 0.034 63.127 63.100 -0.012 0.000 1.022 204 P CB 0.695 32.402 31.700 0.011 0.000 1.912 205 Q N 0.057 119.819 119.800 -0.064 0.000 2.485 205 Q HA 0.204 4.544 4.340 -0.000 0.000 0.228 205 Q C 0.582 176.518 176.000 -0.106 0.000 0.763 205 Q CA 0.351 56.117 55.803 -0.061 0.000 0.959 205 Q CB 0.654 29.359 28.738 -0.055 0.000 1.314 205 Q HN 0.322 nan 8.270 nan 0.000 0.508 206 I N -0.391 120.049 120.570 -0.215 0.000 2.566 206 I HA 0.625 4.795 4.170 -0.000 0.000 0.303 206 I C 0.402 176.319 176.117 -0.333 0.000 0.983 206 I CA -0.642 60.443 61.300 -0.360 0.000 1.235 206 I CB 1.701 39.261 38.000 -0.735 0.000 1.386 206 I HN 0.075 nan 8.210 nan 0.000 0.494 207 G N 2.246 110.925 108.800 -0.201 0.000 3.919 207 G HA2 0.383 4.343 3.960 -0.000 0.000 0.284 207 G HA3 0.383 4.343 3.960 -0.000 0.000 0.284 207 G C -0.186 174.834 174.900 0.199 0.000 2.841 207 G CA -0.465 44.659 45.100 0.040 0.000 0.605 207 G HN 0.861 nan 8.290 nan 0.000 0.337 208 E N 0.453 120.879 120.200 0.376 0.000 2.805 208 E HA -0.372 3.978 4.350 -0.000 0.000 0.266 208 E C 1.257 178.091 176.600 0.389 0.000 1.092 208 E CA 0.861 57.490 56.400 0.382 0.000 0.781 208 E CB -1.840 28.014 29.700 0.257 0.000 1.379 208 E HN 1.022 nan 8.360 nan 0.000 0.433 209 S N -1.097 114.751 115.700 0.246 0.000 2.354 209 S HA -0.375 4.095 4.470 -0.000 0.000 0.233 209 S C 0.747 175.461 174.600 0.189 0.000 1.328 209 S CA 2.480 60.792 58.200 0.187 0.000 1.749 209 S CB -0.239 63.059 63.200 0.163 0.000 2.406 209 S HN 0.573 nan 8.310 nan 0.000 0.684 210 Q N -0.323 119.634 119.800 0.260 0.000 2.333 210 Q HA 0.381 4.721 4.340 -0.000 0.000 0.266 210 Q C -0.024 175.907 176.000 -0.115 0.000 1.053 210 Q CA -0.480 55.300 55.803 -0.038 0.000 0.890 210 Q CB 0.571 29.061 28.738 -0.413 0.000 1.337 210 Q HN 0.744 nan 8.270 nan 0.000 0.474 211 W N 1.940 122.987 121.300 -0.421 0.000 2.360 211 W HA 0.484 5.144 4.660 -0.000 0.000 0.344 211 W C -1.580 174.796 176.519 -0.239 0.000 1.025 211 W CA -0.675 56.542 57.345 -0.213 0.000 1.480 211 W CB -0.838 28.564 29.460 -0.097 0.000 1.350 211 W HN 0.561 nan 8.180 nan 0.000 0.382 212 Y N 1.198 121.532 120.300 0.058 0.000 2.773 212 Y HA 0.465 5.015 4.550 -0.000 0.000 0.323 212 Y C 0.878 176.800 175.900 0.036 0.000 1.183 212 Y CA -1.106 56.962 58.100 -0.054 0.000 1.144 212 Y CB 1.649 40.066 38.460 -0.071 0.000 1.340 212 Y HN 0.456 nan 8.280 nan 0.000 0.531 213 E N -0.660 119.657 120.200 0.196 0.000 2.642 213 E HA 0.074 4.424 4.350 -0.000 0.000 0.206 213 E C 0.192 176.831 176.600 0.065 0.000 0.939 213 E CA 0.159 56.631 56.400 0.120 0.000 1.372 213 E CB 0.590 30.357 29.700 0.110 0.000 1.334 213 E HN 0.622 nan 8.360 nan 0.000 0.709 214 T N 1.433 116.019 114.554 0.053 0.000 2.487 214 T HA -0.234 4.116 4.350 -0.000 0.000 0.389 214 T C 0.552 175.248 174.700 -0.005 0.000 1.040 214 T CA 1.501 63.609 62.100 0.012 0.000 1.090 214 T CB 0.317 69.181 68.868 -0.007 0.000 1.009 214 T HN 0.410 nan 8.240 nan 0.000 0.543 215 E N 1.329 121.521 120.200 -0.013 0.000 2.598 215 E HA 0.278 4.628 4.350 -0.000 0.000 0.233 215 E C -0.151 176.433 176.600 -0.026 0.000 1.173 215 E CA -0.441 55.947 56.400 -0.020 0.000 1.473 215 E CB -0.620 29.070 29.700 -0.017 0.000 1.398 215 E HN 0.612 nan 8.360 nan 0.000 0.431 216 I N -0.399 120.156 120.570 -0.025 0.000 2.241 216 I HA 0.181 4.351 4.170 -0.000 0.000 0.294 216 I C 0.852 176.947 176.117 -0.035 0.000 1.145 216 I CA -0.804 60.506 61.300 0.017 0.000 1.261 216 I CB 0.059 38.077 38.000 0.030 0.000 1.475 216 I HN -0.052 nan 8.210 nan 0.000 0.533 217 N N 3.053 121.649 118.700 -0.174 0.000 2.228 217 N HA -0.272 4.468 4.740 -0.000 0.000 0.199 217 N C 0.184 175.509 175.510 -0.308 0.000 0.985 217 N CA 1.717 54.584 53.050 -0.304 0.000 0.909 217 N CB -0.842 37.380 38.487 -0.442 0.000 1.020 217 N HN 0.745 nan 8.380 nan 0.000 0.472 218 H N -0.038 119.013 119.070 -0.032 0.000 2.864 218 H HA 0.579 5.135 4.556 -0.000 0.000 0.281 218 H C 0.103 175.401 175.328 -0.050 0.000 1.093 218 H CA -0.138 55.892 56.048 -0.030 0.000 1.453 218 H CB 0.671 30.411 29.762 -0.036 0.000 1.462 218 H HN 0.230 nan 8.280 nan 0.000 0.480 219 A N 2.434 125.288 122.820 0.057 0.000 2.483 219 A HA 0.586 4.906 4.320 -0.000 0.000 0.298 219 A C 0.330 177.937 177.584 0.039 0.000 1.052 219 A CA -0.235 51.812 52.037 0.017 0.000 0.978 219 A CB -0.175 18.829 19.000 0.007 0.000 1.506 219 A HN 0.820 nan 8.150 nan 0.000 0.388 220 A N 1.601 124.444 122.820 0.039 0.000 2.802 220 A HA 0.883 5.203 4.320 -0.000 0.000 0.204 220 A C 1.235 178.870 177.584 0.085 0.000 1.677 220 A CA 0.928 53.001 52.037 0.060 0.000 1.023 220 A CB -0.366 18.669 19.000 0.059 0.000 1.619 220 A HN 2.744 nan 8.150 nan 0.000 0.751 221 G N -2.478 106.387 108.800 0.109 0.000 2.333 221 G HA2 0.497 4.457 3.960 -0.000 0.000 0.288 221 G HA3 0.497 4.457 3.960 -0.000 0.000 0.288 221 G C -1.090 173.892 174.900 0.137 0.000 1.286 221 G CA -0.115 45.054 45.100 0.114 0.000 0.865 221 G HN 0.937 nan 8.290 nan 0.000 0.506 222 R N -0.946 119.617 120.500 0.105 0.000 2.868 222 R HA 0.549 4.889 4.340 -0.000 0.000 0.262 222 R C -1.339 174.997 176.300 0.060 0.000 1.163 222 R CA -0.375 55.793 56.100 0.113 0.000 1.105 222 R CB 1.722 32.081 30.300 0.099 0.000 1.270 222 R HN 0.828 nan 8.270 nan 0.000 0.437 223 V N 4.519 124.465 119.914 0.053 0.000 6.149 223 V HA 0.697 4.817 4.120 -0.000 0.000 0.279 223 V C -0.768 175.336 176.094 0.018 0.000 1.601 223 V CA -0.036 62.277 62.300 0.022 0.000 0.658 223 V CB 1.717 33.538 31.823 -0.004 0.000 1.462 223 V HN 0.695 nan 8.190 nan 0.000 0.397 224 L N -1.428 119.799 121.223 0.005 0.000 2.459 224 L HA 0.699 5.039 4.340 -0.000 0.000 0.238 224 L C -0.865 176.005 176.870 -0.000 0.000 1.152 224 L CA -0.812 54.031 54.840 0.004 0.000 1.091 224 L CB 1.254 43.313 42.059 -0.001 0.000 1.596 224 L HN 0.325 nan 8.230 nan 0.000 0.422 225 K N -0.689 119.711 120.400 -0.000 0.000 2.378 225 K HA 0.437 4.757 4.320 -0.000 0.000 0.244 225 K C -0.115 176.488 176.600 0.005 0.000 1.039 225 K CA -0.926 55.362 56.287 0.001 0.000 0.863 225 K CB 2.412 34.914 32.500 0.004 0.000 1.326 225 K HN 0.481 nan 8.250 nan 0.000 0.460 226 K N 0.348 120.755 120.400 0.012 0.000 2.026 226 K HA -0.121 4.199 4.320 -0.000 0.000 0.208 226 K C 1.801 178.414 176.600 0.021 0.000 1.048 226 K CA 1.798 58.099 56.287 0.024 0.000 0.929 226 K CB -0.094 32.423 32.500 0.029 0.000 0.713 226 K HN 0.502 nan 8.250 nan 0.000 0.439 227 T N 0.469 115.030 114.554 0.013 0.000 3.163 227 T HA -0.034 4.316 4.350 -0.000 0.000 0.260 227 T C -0.133 174.567 174.700 0.001 0.000 1.156 227 T CA 0.878 62.983 62.100 0.008 0.000 1.072 227 T CB -0.290 68.581 68.868 0.004 0.000 0.937 227 T HN 0.366 nan 8.240 nan 0.000 0.528 228 T N 1.954 116.508 114.554 -0.001 0.000 2.910 228 T HA 0.498 4.848 4.350 -0.000 0.000 0.323 228 T C -2.781 171.916 174.700 -0.005 0.000 1.091 228 T CA -2.059 60.036 62.100 -0.008 0.000 0.960 228 T CB 0.998 69.859 68.868 -0.012 0.000 1.024 228 T HN 0.016 nan 8.240 nan 0.000 0.509 229 P HA -0.027 nan 4.420 nan 0.000 0.268 229 P C 0.078 177.372 177.300 -0.010 0.000 1.189 229 P CA -0.076 63.020 63.100 -0.008 0.000 0.771 229 P CB 0.356 32.046 31.700 -0.016 0.000 0.822 230 M N 2.695 122.289 119.600 -0.009 0.000 2.364 230 M HA -0.002 4.478 4.480 -0.000 0.000 0.342 230 M C 0.493 176.785 176.300 -0.013 0.000 1.601 230 M CA 1.173 56.466 55.300 -0.012 0.000 1.156 230 M CB -0.244 32.346 32.600 -0.016 0.000 1.912 230 M HN 0.042 nan 8.290 nan 0.000 0.460 231 K N 5.905 126.300 120.400 -0.007 0.000 2.483 231 K HA 0.360 4.680 4.320 -0.000 0.000 0.256 231 K C -2.349 174.260 176.600 0.015 0.000 0.961 231 K CA -1.656 54.631 56.287 -0.001 0.000 0.873 231 K CB 1.551 34.048 32.500 -0.005 0.000 1.107 231 K HN 0.215 nan 8.250 nan 0.000 0.432 232 P HA 0.031 nan 4.420 nan 0.000 0.225 232 P C 0.249 177.597 177.300 0.080 0.000 1.768 232 P CA -0.369 62.757 63.100 0.042 0.000 0.943 232 P CB -0.990 30.734 31.700 0.039 0.000 1.936 233 C N -1.896 117.454 119.300 0.082 0.000 0.168 233 C HA -0.304 4.156 4.460 -0.000 0.000 0.017 233 C C 0.965 176.093 174.990 0.230 0.000 0.171 233 C CA 0.218 59.313 59.018 0.129 0.000 0.499 233 C CB -2.409 25.402 27.740 0.118 0.000 3.212 233 C HN 0.576 nan 8.230 nan 0.000 1.118 234 Y N 1.239 121.581 120.300 0.069 0.000 4.095 234 Y HA 0.091 4.641 4.550 -0.000 0.000 0.240 234 Y C 1.120 177.083 175.900 0.106 0.000 1.276 234 Y CA 2.476 60.625 58.100 0.081 0.000 2.014 234 Y CB -1.489 37.008 38.460 0.062 0.000 1.616 234 Y HN 2.759 nan 8.280 nan 0.000 0.703 235 G N -0.832 108.073 108.800 0.176 0.000 3.658 235 G HA2 0.102 4.062 3.960 -0.000 0.000 0.220 235 G HA3 0.102 4.062 3.960 -0.000 0.000 0.220 235 G C -0.039 174.809 174.900 -0.087 0.000 0.917 235 G CA 0.097 45.251 45.100 0.090 0.000 0.865 235 G HN 1.336 nan 8.290 nan 0.000 0.652 236 S N 0.785 116.494 115.700 0.015 0.000 2.465 236 S HA 0.630 5.100 4.470 -0.000 0.000 0.279 236 S C 0.368 175.025 174.600 0.095 0.000 1.201 236 S CA -0.560 57.612 58.200 -0.047 0.000 1.053 236 S CB 0.992 64.198 63.200 0.009 0.000 0.953 236 S HN 0.626 nan 8.310 nan 0.000 0.488 237 Y N 4.611 124.810 120.300 -0.169 0.000 2.707 237 Y HA 0.727 5.277 4.550 -0.000 0.000 0.409 237 Y C -0.177 175.739 175.900 0.027 0.000 1.343 237 Y CA -1.078 57.066 58.100 0.073 0.000 1.663 237 Y CB 0.398 38.923 38.460 0.108 0.000 1.678 237 Y HN 1.108 nan 8.280 nan 0.000 0.687 238 A N 2.154 124.617 122.820 -0.596 0.000 1.652 238 A HA 0.216 4.536 4.320 -0.000 0.000 0.247 238 A C -1.197 175.907 177.584 -0.800 0.000 0.963 238 A CA -0.812 50.901 52.037 -0.540 0.000 0.787 238 A CB -0.453 18.466 19.000 -0.134 0.000 0.749 238 A HN 0.570 nan 8.150 nan 0.000 0.327 239 K N 3.187 123.115 120.400 -0.788 0.000 2.412 239 K HA 0.391 4.711 4.320 -0.000 0.000 0.281 239 K C -2.407 174.133 176.600 -0.100 0.000 1.027 239 K CA -1.230 54.817 56.287 -0.400 0.000 0.989 239 K CB 0.554 32.914 32.500 -0.233 0.000 0.935 239 K HN 0.483 nan 8.250 nan 0.000 0.475 240 P HA 0.119 nan 4.420 nan 0.000 0.297 240 P C 0.112 177.434 177.300 0.036 0.000 1.319 240 P CA -0.444 62.688 63.100 0.053 0.000 0.810 240 P CB 1.550 33.313 31.700 0.104 0.000 0.947 241 T N 2.300 116.865 114.554 0.018 0.000 2.474 241 T HA -0.122 4.228 4.350 -0.000 0.000 0.254 241 T C 0.738 175.446 174.700 0.014 0.000 1.191 241 T CA 1.724 63.830 62.100 0.010 0.000 1.231 241 T CB -0.968 67.903 68.868 0.004 0.000 0.865 241 T HN 0.635 nan 8.240 nan 0.000 0.398 242 N N 1.926 120.632 118.700 0.009 0.000 2.529 242 N HA 0.146 4.886 4.740 -0.000 0.000 0.278 242 N C 0.118 175.635 175.510 0.012 0.000 1.146 242 N CA -0.362 52.685 53.050 -0.005 0.000 0.980 242 N CB 0.326 38.792 38.487 -0.034 0.000 1.124 242 N HN 0.326 nan 8.380 nan 0.000 0.458 243 E N 0.149 120.354 120.200 0.009 0.000 2.438 243 E HA -0.055 4.295 4.350 -0.000 0.000 0.192 243 E C -0.358 176.257 176.600 0.024 0.000 1.110 243 E CA 0.171 56.588 56.400 0.028 0.000 0.893 243 E CB -0.494 29.221 29.700 0.024 0.000 0.990 243 E HN 0.546 nan 8.360 nan 0.000 0.490 244 N N 0.610 119.312 118.700 0.003 0.000 2.575 244 N HA 0.075 4.815 4.740 -0.000 0.000 0.275 244 N C 0.870 176.460 175.510 0.133 0.000 1.202 244 N CA 0.450 53.503 53.050 0.005 0.000 0.945 244 N CB 1.014 39.393 38.487 -0.181 0.000 1.247 244 N HN 0.321 nan 8.380 nan 0.000 0.510 245 G N 0.806 109.680 108.800 0.124 0.000 3.329 245 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.220 245 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.220 245 G C 0.646 175.621 174.900 0.126 0.000 1.358 245 G CA -0.175 45.013 45.100 0.147 0.000 0.856 245 G HN 0.530 nan 8.290 nan 0.000 0.551 246 G N 0.932 109.824 108.800 0.152 0.000 2.842 246 G HA2 0.170 4.130 3.960 -0.000 0.000 0.309 246 G HA3 0.170 4.130 3.960 -0.000 0.000 0.309 246 G C 0.604 175.539 174.900 0.060 0.000 0.380 246 G CA 1.184 46.345 45.100 0.102 0.000 1.225 246 G HN 0.782 nan 8.290 nan 0.000 0.204 247 Q N 1.265 121.093 119.800 0.048 0.000 2.222 247 Q HA 0.178 4.518 4.340 -0.000 0.000 0.206 247 Q C 1.383 177.384 176.000 0.002 0.000 0.877 247 Q CA -0.073 55.745 55.803 0.024 0.000 0.958 247 Q CB 0.771 29.522 28.738 0.022 0.000 1.075 247 Q HN 0.583 nan 8.270 nan 0.000 0.483 248 G N 0.636 109.440 108.800 0.007 0.000 2.356 248 G HA2 0.453 4.413 3.960 -0.000 0.000 0.298 248 G HA3 0.453 4.413 3.960 -0.000 0.000 0.298 248 G C -0.529 174.367 174.900 -0.005 0.000 1.145 248 G CA -0.495 44.604 45.100 -0.003 0.000 0.850 248 G HN 0.120 nan 8.290 nan 0.000 0.487 249 I N 0.772 121.336 120.570 -0.010 0.000 2.764 249 I HA 0.493 4.663 4.170 -0.000 0.000 0.294 249 I C -0.314 175.800 176.117 -0.005 0.000 1.045 249 I CA -0.030 61.264 61.300 -0.010 0.000 1.340 249 I CB 1.362 39.354 38.000 -0.014 0.000 1.436 249 I HN 0.430 nan 8.210 nan 0.000 0.567 250 L N 5.362 126.582 121.223 -0.005 0.000 2.643 250 L HA 0.624 4.964 4.340 -0.000 0.000 0.256 250 L C -0.636 176.233 176.870 -0.002 0.000 0.931 250 L CA -0.861 53.978 54.840 -0.002 0.000 0.895 250 L CB 0.673 42.731 42.059 -0.001 0.000 1.430 250 L HN 0.337 nan 8.230 nan 0.000 0.419 251 V N -0.668 119.245 119.914 -0.001 0.000 3.093 251 V HA 0.872 4.992 4.120 -0.000 0.000 0.320 251 V C -0.167 175.927 176.094 -0.000 0.000 1.093 251 V CA -0.421 61.879 62.300 -0.001 0.000 1.016 251 V CB 1.880 33.703 31.823 -0.001 0.000 1.096 251 V HN 1.086 nan 8.190 nan 0.000 0.452 252 K N 1.975 122.375 120.400 -0.001 0.000 2.197 252 K HA 0.049 4.369 4.320 -0.000 0.000 0.256 252 K C -0.551 176.049 176.600 -0.001 0.000 1.774 252 K CA -0.126 56.160 56.287 -0.000 0.000 0.780 252 K CB -0.029 32.471 32.500 -0.000 0.000 1.398 252 K HN 0.934 nan 8.250 nan 0.000 0.381 253 Q N 3.745 123.544 119.800 -0.001 0.000 2.771 253 Q HA 0.001 4.341 4.340 -0.000 0.000 0.207 253 Q C -0.534 175.466 176.000 -0.001 0.000 1.250 253 Q CA 0.981 56.784 55.803 -0.001 0.000 0.894 253 Q CB -0.065 28.673 28.738 -0.001 0.000 1.733 253 Q HN 0.313 nan 8.270 nan 0.000 0.503 254 Q N 0.068 119.868 119.800 -0.001 0.000 3.241 254 Q HA -0.359 3.981 4.340 -0.000 0.000 0.025 254 Q C 0.296 176.296 176.000 -0.001 0.000 1.713 254 Q CA 0.630 56.432 55.803 -0.001 0.000 0.238 254 Q CB -0.451 28.287 28.738 -0.001 0.000 0.586 254 Q HN 0.787 nan 8.270 nan 0.000 0.322 255 N N -1.592 117.108 118.700 -0.001 0.000 2.853 255 N HA -0.252 4.488 4.740 -0.000 0.000 0.231 255 N C 0.292 175.802 175.510 -0.000 0.000 0.872 255 N CA 2.155 55.205 53.050 -0.001 0.000 1.144 255 N CB -0.571 37.915 38.487 -0.001 0.000 1.032 255 N HN 0.752 nan 8.380 nan 0.000 0.622 256 G N 0.170 108.970 108.800 0.000 0.000 2.404 256 G HA2 0.352 4.312 3.960 -0.000 0.000 0.316 256 G HA3 0.352 4.312 3.960 -0.000 0.000 0.316 256 G C -0.036 174.864 174.900 0.001 0.000 1.074 256 G CA -0.530 44.571 45.100 0.001 0.000 0.989 256 G HN 0.176 nan 8.290 nan 0.000 0.430 257 K N 2.624 123.025 120.400 0.001 0.000 2.609 257 K HA -0.060 4.260 4.320 -0.000 0.000 0.216 257 K C 0.605 177.206 176.600 0.003 0.000 0.994 257 K CA -0.043 56.245 56.287 0.002 0.000 1.191 257 K CB -0.645 31.857 32.500 0.003 0.000 1.056 257 K HN 0.335 nan 8.250 nan 0.000 0.253 258 L N 3.637 124.861 121.223 0.002 0.000 2.583 258 L HA 0.062 4.402 4.340 -0.000 0.000 0.239 258 L C 0.845 177.717 176.870 0.003 0.000 1.347 258 L CA -0.008 54.834 54.840 0.002 0.000 1.246 258 L CB -0.718 41.342 42.059 0.002 0.000 1.496 258 L HN 0.605 nan 8.230 nan 0.000 0.413 259 E N -0.738 119.464 120.200 0.004 0.000 4.368 259 E HA -0.197 4.153 4.350 -0.000 0.000 0.572 259 E C -0.034 176.569 176.600 0.005 0.000 1.516 259 E CA 0.583 56.986 56.400 0.005 0.000 3.791 259 E CB -0.267 29.437 29.700 0.008 0.000 0.759 259 E HN 0.377 nan 8.360 nan 0.000 0.319 260 S N -0.125 115.579 115.700 0.007 0.000 2.652 260 S HA 0.182 4.652 4.470 -0.000 0.000 0.270 260 S C -0.527 174.077 174.600 0.008 0.000 1.243 260 S CA -0.578 57.626 58.200 0.007 0.000 0.999 260 S CB 0.945 64.150 63.200 0.008 0.000 0.973 260 S HN 0.382 nan 8.310 nan 0.000 0.544 261 Q N 1.506 121.311 119.800 0.007 0.000 2.490 261 Q HA 0.632 4.972 4.340 -0.000 0.000 0.255 261 Q C -1.443 174.564 176.000 0.011 0.000 0.997 261 Q CA -0.416 55.392 55.803 0.009 0.000 0.709 261 Q CB 1.244 29.985 28.738 0.006 0.000 1.255 261 Q HN 0.302 nan 8.270 nan 0.000 0.486 262 V N 0.953 120.877 119.914 0.018 0.000 3.300 262 V HA 0.343 4.463 4.120 -0.000 0.000 0.289 262 V C -1.103 175.016 176.094 0.042 0.000 1.533 262 V CA -0.889 61.427 62.300 0.026 0.000 1.059 262 V CB 2.819 34.654 31.823 0.021 0.000 1.161 262 V HN 0.850 nan 8.190 nan 0.000 0.462 263 E N 1.299 121.534 120.200 0.058 0.000 2.437 263 E HA 0.878 5.228 4.350 -0.000 0.000 0.253 263 E C -0.753 175.913 176.600 0.109 0.000 0.905 263 E CA -1.023 55.418 56.400 0.068 0.000 0.871 263 E CB 2.329 32.051 29.700 0.036 0.000 1.649 263 E HN 0.688 nan 8.360 nan 0.000 0.422 264 M N -0.336 119.293 119.600 0.048 0.000 2.704 264 M HA 0.528 5.008 4.480 -0.000 0.000 0.284 264 M C -1.894 174.370 176.300 -0.059 0.000 1.275 264 M CA -0.230 55.056 55.300 -0.024 0.000 0.811 264 M CB 2.592 35.109 32.600 -0.138 0.000 1.741 264 M HN 0.531 nan 8.290 nan 0.000 0.458 265 Q N 0.458 120.196 119.800 -0.103 0.000 2.511 265 Q HA 0.665 5.005 4.340 -0.000 0.000 0.289 265 Q C -1.900 174.148 176.000 0.079 0.000 1.021 265 Q CA -0.529 55.267 55.803 -0.013 0.000 0.785 265 Q CB 2.785 31.513 28.738 -0.017 0.000 1.472 265 Q HN 0.720 nan 8.270 nan 0.000 0.411 266 F N 0.918 120.903 119.950 0.058 0.000 2.569 266 F HA 0.740 5.267 4.527 -0.000 0.000 0.312 266 F C -1.480 174.512 175.800 0.321 0.000 1.109 266 F CA -1.003 57.059 58.000 0.103 0.000 0.919 266 F CB 1.458 40.489 39.000 0.050 0.000 1.211 266 F HN 0.506 nan 8.300 nan 0.000 0.446 267 F N 1.740 121.718 119.950 0.046 0.000 2.631 267 F HA 0.594 5.121 4.527 -0.000 0.000 0.308 267 F C -0.516 175.207 175.800 -0.128 0.000 1.097 267 F CA -0.485 57.494 58.000 -0.036 0.000 0.952 267 F CB 2.320 41.328 39.000 0.014 0.000 1.307 267 F HN 0.441 nan 8.300 nan 0.000 0.450 268 S N -0.441 115.188 115.700 -0.119 0.000 2.655 268 S HA 0.599 5.069 4.470 -0.000 0.000 0.266 268 S C -0.644 173.870 174.600 -0.144 0.000 1.149 268 S CA -0.209 57.914 58.200 -0.128 0.000 0.818 268 S CB 1.431 64.514 63.200 -0.196 0.000 1.130 268 S HN 0.535 nan 8.310 nan 0.000 0.476 269 T N 1.553 116.043 114.554 -0.106 0.000 3.074 269 T HA 0.526 4.876 4.350 -0.000 0.000 0.181 269 T C 0.851 175.496 174.700 -0.091 0.000 0.714 269 T CA 0.842 62.890 62.100 -0.087 0.000 2.341 269 T CB -1.133 67.701 68.868 -0.057 0.000 2.346 269 T HN 1.170 nan 8.240 nan 0.000 0.391 280 L N 0.824 122.002 121.223 -0.076 0.000 2.448 280 L HA -0.097 4.243 4.340 -0.000 0.000 0.471 280 L C -1.674 175.152 176.870 -0.075 0.000 0.781 280 L CA 1.046 55.844 54.840 -0.069 0.000 2.190 280 L CB -1.347 40.681 42.059 -0.051 0.000 1.279 280 L HN 0.371 nan 8.230 nan 0.000 0.501 281 T N 0.501 114.996 114.554 -0.098 0.000 3.670 281 T HA 0.305 4.655 4.350 -0.000 0.000 0.238 281 T C -2.135 172.464 174.700 -0.169 0.000 0.793 281 T CA -0.253 61.782 62.100 -0.108 0.000 1.523 281 T CB 0.928 69.756 68.868 -0.066 0.000 0.854 281 T HN 0.169 nan 8.240 nan 0.000 0.591 282 P HA 0.027 nan 4.420 nan 0.000 0.277 282 P C 0.544 177.585 177.300 -0.431 0.000 1.276 282 P CA 0.260 63.121 63.100 -0.398 0.000 0.870 282 P CB 0.806 32.141 31.700 -0.608 0.000 0.921 283 K N -1.916 118.226 120.400 -0.431 0.000 2.570 283 K HA 0.063 4.383 4.320 -0.000 0.000 0.201 283 K C -0.409 176.147 176.600 -0.073 0.000 1.730 283 K CA 0.295 56.443 56.287 -0.231 0.000 1.034 283 K CB -0.262 32.134 32.500 -0.174 0.000 1.471 283 K HN 0.224 nan 8.250 nan 0.000 0.608 284 V N 1.473 121.332 119.914 -0.091 0.000 2.288 284 V HA 0.446 4.566 4.120 -0.000 0.000 0.266 284 V C 1.067 177.307 176.094 0.244 0.000 1.048 284 V CA -1.120 61.227 62.300 0.078 0.000 0.842 284 V CB 0.754 32.604 31.823 0.044 0.000 1.064 284 V HN 0.026 nan 8.190 nan 0.000 0.472 285 V N 5.560 125.668 119.914 0.323 0.000 3.851 285 V HA 0.498 4.618 4.120 -0.000 0.000 0.268 285 V C 0.453 176.572 176.094 0.042 0.000 0.933 285 V CA 0.497 62.927 62.300 0.216 0.000 0.934 285 V CB 1.671 33.476 31.823 -0.030 0.000 1.231 285 V HN 0.755 nan 8.190 nan 0.000 0.412 286 L N -1.155 120.000 121.223 -0.114 0.000 2.643 286 L HA 0.575 4.915 4.340 -0.000 0.000 0.256 286 L C -1.546 175.222 176.870 -0.170 0.000 0.828 286 L CA -0.645 54.141 54.840 -0.089 0.000 1.186 286 L CB 0.629 42.654 42.059 -0.057 0.000 1.621 286 L HN 0.734 nan 8.230 nan 0.000 0.368 287 Y N -1.328 118.962 120.300 -0.017 0.000 2.860 287 Y HA 0.413 4.963 4.550 -0.000 0.000 0.389 287 Y C -0.642 175.245 175.900 -0.021 0.000 1.143 287 Y CA -0.079 58.010 58.100 -0.018 0.000 1.330 287 Y CB 1.354 39.807 38.460 -0.011 0.000 1.481 287 Y HN 0.587 nan 8.280 nan 0.000 0.511 288 S N 1.452 117.269 115.700 0.196 0.000 2.683 288 S HA 0.607 5.077 4.470 -0.000 0.000 0.278 288 S C -2.105 172.523 174.600 0.045 0.000 1.059 288 S CA -0.496 57.751 58.200 0.078 0.000 0.847 288 S CB 1.567 64.795 63.200 0.046 0.000 1.078 288 S HN 0.691 nan 8.310 nan 0.000 0.456 289 E N 1.349 121.561 120.200 0.019 0.000 2.391 289 E HA 0.660 5.010 4.350 -0.000 0.000 0.256 289 E C -1.813 174.788 176.600 0.001 0.000 0.975 289 E CA -1.021 55.383 56.400 0.007 0.000 0.881 289 E CB 0.715 30.412 29.700 -0.004 0.000 1.728 289 E HN 0.486 nan 8.360 nan 0.000 0.446 290 D N 0.157 120.554 120.400 -0.005 0.000 2.756 290 D HA 0.506 5.146 4.640 -0.000 0.000 0.226 290 D C -0.663 175.626 176.300 -0.020 0.000 1.186 290 D CA -0.390 53.603 54.000 -0.011 0.000 0.845 290 D CB 2.466 43.261 40.800 -0.008 0.000 1.610 290 D HN 0.434 nan 8.370 nan 0.000 0.465 291 V N -0.936 118.960 119.914 -0.031 0.000 5.071 291 V HA 0.720 4.840 4.120 -0.000 0.000 0.300 291 V C -1.291 174.767 176.094 -0.061 0.000 1.520 291 V CA -0.574 61.698 62.300 -0.046 0.000 0.822 291 V CB 1.585 33.372 31.823 -0.060 0.000 1.318 291 V HN 0.399 nan 8.190 nan 0.000 0.446 292 D N 0.167 120.511 120.400 -0.093 0.000 2.421 292 D HA 0.532 5.172 4.640 -0.000 0.000 0.254 292 D C -1.087 175.106 176.300 -0.178 0.000 1.238 292 D CA -0.203 53.729 54.000 -0.113 0.000 0.919 292 D CB 0.930 41.665 40.800 -0.108 0.000 1.152 292 D HN 0.712 nan 8.370 nan 0.000 0.552 293 I N 3.289 123.770 120.570 -0.148 0.000 2.392 293 I HA 0.280 4.450 4.170 -0.000 0.000 0.295 293 I C -0.282 175.738 176.117 -0.161 0.000 0.985 293 I CA -0.615 60.581 61.300 -0.173 0.000 1.221 293 I CB 1.661 39.597 38.000 -0.107 0.000 1.366 293 I HN 0.430 nan 8.210 nan 0.000 0.467 294 E N 4.403 124.487 120.200 -0.193 0.000 2.182 294 E HA 0.210 4.560 4.350 -0.000 0.000 0.258 294 E C -0.420 176.061 176.600 -0.197 0.000 0.879 294 E CA -0.568 55.748 56.400 -0.139 0.000 0.754 294 E CB 1.525 31.188 29.700 -0.063 0.000 1.162 294 E HN 0.552 nan 8.360 nan 0.000 0.419 295 T N 0.526 114.966 114.554 -0.189 0.000 3.400 295 T HA 0.273 4.623 4.350 -0.000 0.000 0.362 295 T C -1.944 172.619 174.700 -0.229 0.000 1.823 295 T CA -1.962 59.992 62.100 -0.243 0.000 1.374 295 T CB 0.457 69.242 68.868 -0.138 0.000 1.130 295 T HN 0.031 nan 8.240 nan 0.000 0.744 296 P HA -0.084 nan 4.420 nan 0.000 0.214 296 P C 0.190 177.400 177.300 -0.151 0.000 1.163 296 P CA 1.305 64.300 63.100 -0.176 0.000 0.889 296 P CB -0.077 31.558 31.700 -0.108 0.000 0.790 297 D N -0.707 119.605 120.400 -0.146 0.000 2.638 297 D HA 0.292 4.932 4.640 -0.000 0.000 0.245 297 D C -0.596 175.630 176.300 -0.123 0.000 1.176 297 D CA -0.400 53.532 54.000 -0.113 0.000 0.996 297 D CB -0.551 40.226 40.800 -0.038 0.000 1.012 297 D HN -0.085 nan 8.370 nan 0.000 0.515 298 T N 0.116 114.615 114.554 -0.092 0.000 3.087 298 T HA 0.331 4.681 4.350 -0.000 0.000 0.351 298 T C -0.551 174.201 174.700 0.088 0.000 1.520 298 T CA -0.783 61.310 62.100 -0.013 0.000 1.111 298 T CB 1.877 70.722 68.868 -0.040 0.000 1.353 298 T HN 0.586 nan 8.240 nan 0.000 0.481 299 H N 1.101 120.133 119.070 -0.064 0.000 3.541 299 H HA 0.719 5.275 4.556 -0.000 0.000 0.121 299 H C -0.719 174.579 175.328 -0.050 0.000 1.206 299 H CA -0.014 56.000 56.048 -0.057 0.000 1.090 299 H CB 0.235 29.967 29.762 -0.050 0.000 0.943 299 H HN 0.528 nan 8.280 nan 0.000 0.220 300 I N -0.740 119.267 120.570 -0.939 0.000 2.490 300 I HA 0.279 4.449 4.170 -0.000 0.000 0.308 300 I C -0.191 175.616 176.117 -0.517 0.000 2.038 300 I CA 0.321 61.269 61.300 -0.586 0.000 0.924 300 I CB 1.700 39.465 38.000 -0.393 0.000 1.558 300 I HN 0.374 nan 8.210 nan 0.000 0.637 301 S N 1.851 117.440 115.700 -0.185 0.000 2.891 301 S HA 0.333 4.803 4.470 -0.000 0.000 0.247 301 S C -1.122 173.494 174.600 0.026 0.000 1.063 301 S CA 0.371 58.542 58.200 -0.049 0.000 0.857 301 S CB 0.511 63.731 63.200 0.033 0.000 0.800 301 S HN 0.553 nan 8.310 nan 0.000 0.540 302 Y N 2.482 122.730 120.300 -0.088 0.000 2.399 302 Y HA 0.554 5.104 4.550 -0.000 0.000 0.327 302 Y C -1.482 174.376 175.900 -0.071 0.000 1.111 302 Y CA -1.107 56.951 58.100 -0.071 0.000 1.047 302 Y CB 1.058 39.492 38.460 -0.043 0.000 1.259 302 Y HN 0.164 nan 8.280 nan 0.000 0.434 303 M N 7.323 126.454 119.600 -0.781 0.000 2.022 303 M HA 0.507 4.987 4.480 -0.000 0.000 0.298 303 M C -2.751 173.085 176.300 -0.773 0.000 0.909 303 M CA -1.899 53.039 55.300 -0.603 0.000 0.914 303 M CB 1.937 34.334 32.600 -0.338 0.000 1.486 303 M HN 0.273 nan 8.290 nan 0.000 0.415 304 P HA -0.133 nan 4.420 nan 0.000 0.216 304 P C 0.485 177.644 177.300 -0.235 0.000 1.154 304 P CA 1.667 64.532 63.100 -0.392 0.000 0.865 304 P CB 0.173 31.823 31.700 -0.084 0.000 0.789 305 T N -2.777 111.658 114.554 -0.199 0.000 2.885 305 T HA 0.423 4.773 4.350 -0.000 0.000 0.322 305 T C -1.806 172.821 174.700 -0.122 0.000 1.387 305 T CA -0.933 61.085 62.100 -0.137 0.000 1.041 305 T CB 0.764 69.578 68.868 -0.089 0.000 1.287 305 T HN -0.114 nan 8.240 nan 0.000 0.491 306 I N 5.189 125.698 120.570 -0.102 0.000 2.330 306 I HA 0.569 4.739 4.170 -0.000 0.000 0.286 306 I C -0.637 175.442 176.117 -0.063 0.000 1.025 306 I CA -0.547 60.701 61.300 -0.086 0.000 1.197 306 I CB 0.141 38.089 38.000 -0.086 0.000 1.358 306 I HN 0.661 nan 8.210 nan 0.000 0.467 307 K N 4.816 125.183 120.400 -0.056 0.000 2.466 307 K HA 0.425 4.745 4.320 -0.000 0.000 0.260 307 K C -0.914 175.666 176.600 -0.033 0.000 1.011 307 K CA -0.724 55.538 56.287 -0.041 0.000 0.871 307 K CB 1.312 33.789 32.500 -0.038 0.000 1.404 307 K HN 0.409 nan 8.250 nan 0.000 0.450 308 E N 0.049 120.235 120.200 -0.024 0.000 2.325 308 E HA 0.364 4.714 4.350 -0.000 0.000 0.295 308 E C -0.608 175.986 176.600 -0.010 0.000 1.461 308 E CA 0.073 56.463 56.400 -0.017 0.000 1.698 308 E CB 0.037 29.729 29.700 -0.013 0.000 1.496 308 E HN 0.782 nan 8.360 nan 0.000 0.474 309 G N 1.798 110.590 108.800 -0.013 0.000 2.196 309 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.215 309 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.215 309 G C -1.483 173.410 174.900 -0.011 0.000 1.640 309 G CA -1.266 43.832 45.100 -0.004 0.000 0.946 309 G HN 0.230 nan 8.290 nan 0.000 0.710 310 N N 0.803 119.499 118.700 -0.007 0.000 2.425 310 N HA 0.692 5.432 4.740 -0.000 0.000 0.268 310 N C 0.642 176.146 175.510 -0.010 0.000 0.991 310 N CA 0.133 53.171 53.050 -0.020 0.000 0.931 310 N CB 2.141 40.616 38.487 -0.020 0.000 1.130 310 N HN 0.184 nan 8.380 nan 0.000 0.493 311 S N 3.071 118.735 115.700 -0.060 0.000 2.830 311 S HA 0.276 4.746 4.470 -0.000 0.000 0.249 311 S C 0.861 175.296 174.600 -0.275 0.000 1.084 311 S CA -0.073 58.056 58.200 -0.118 0.000 0.852 311 S CB 0.446 63.562 63.200 -0.140 0.000 0.802 311 S HN 0.726 nan 8.310 nan 0.000 0.481 312 R N 0.305 120.658 120.500 -0.245 0.000 2.636 312 R HA 0.279 4.619 4.340 -0.000 0.000 0.259 312 R C 0.863 177.085 176.300 -0.129 0.000 0.970 312 R CA 0.051 56.009 56.100 -0.238 0.000 1.107 312 R CB 0.142 30.227 30.300 -0.359 0.000 1.687 312 R HN 0.108 nan 8.270 nan 0.000 0.527 313 E N 1.328 121.461 120.200 -0.111 0.000 2.463 313 E HA -0.027 4.323 4.350 -0.000 0.000 0.201 313 E C 0.750 177.309 176.600 -0.068 0.000 1.045 313 E CA 0.609 56.961 56.400 -0.080 0.000 0.872 313 E CB 0.241 29.895 29.700 -0.076 0.000 0.797 313 E HN 0.090 nan 8.360 nan 0.000 0.538 314 L N 0.642 121.828 121.223 -0.062 0.000 2.685 314 L HA 0.212 4.552 4.340 -0.000 0.000 0.233 314 L C 1.051 177.902 176.870 -0.032 0.000 1.173 314 L CA 0.533 55.345 54.840 -0.047 0.000 0.961 314 L CB -0.226 41.810 42.059 -0.039 0.000 1.217 314 L HN 0.339 nan 8.230 nan 0.000 0.478 315 M N -4.494 115.091 119.600 -0.025 0.000 2.289 315 M HA 0.398 4.878 4.480 -0.000 0.000 0.335 315 M C 1.030 177.342 176.300 0.019 0.000 0.961 315 M CA 0.223 55.520 55.300 -0.005 0.000 1.018 315 M CB 0.333 32.931 32.600 -0.005 0.000 1.678 315 M HN -0.074 nan 8.290 nan 0.000 0.589 316 G N 1.390 110.204 108.800 0.024 0.000 3.189 316 G HA2 0.290 4.250 3.960 -0.000 0.000 0.225 316 G HA3 0.290 4.250 3.960 -0.000 0.000 0.225 316 G C -0.024 174.956 174.900 0.132 0.000 1.159 316 G CA -0.221 44.931 45.100 0.086 0.000 0.763 316 G HN 0.557 nan 8.290 nan 0.000 0.549 317 Q N -0.134 119.697 119.800 0.051 0.000 2.348 317 Q HA 0.624 4.964 4.340 -0.000 0.000 0.271 317 Q C -1.149 174.877 176.000 0.043 0.000 1.067 317 Q CA -0.702 55.120 55.803 0.031 0.000 0.839 317 Q CB 1.726 30.427 28.738 -0.061 0.000 1.354 317 Q HN 0.179 nan 8.270 nan 0.000 0.447 318 Q N 0.519 120.348 119.800 0.048 0.000 2.387 318 Q HA 0.515 4.855 4.340 -0.000 0.000 0.273 318 Q C -1.056 174.970 176.000 0.043 0.000 1.089 318 Q CA -0.753 55.085 55.803 0.059 0.000 0.824 318 Q CB 2.440 31.223 28.738 0.076 0.000 1.367 318 Q HN 0.615 nan 8.270 nan 0.000 0.443 319 S N 2.667 118.421 115.700 0.090 0.000 2.622 319 S HA 0.496 4.966 4.470 -0.000 0.000 0.283 319 S C -0.658 174.031 174.600 0.149 0.000 1.197 319 S CA -0.706 57.545 58.200 0.087 0.000 1.146 319 S CB 0.392 63.633 63.200 0.069 0.000 1.007 319 S HN 0.698 nan 8.310 nan 0.000 0.478 320 M N 5.340 125.027 119.600 0.145 0.000 2.409 320 M HA 0.485 4.965 4.480 -0.000 0.000 0.329 320 M C -1.888 174.482 176.300 0.116 0.000 1.180 320 M CA -1.967 53.408 55.300 0.124 0.000 1.053 320 M CB 1.321 34.040 32.600 0.199 0.000 1.586 320 M HN 0.335 nan 8.290 nan 0.000 0.461 321 P HA -0.236 nan 4.420 nan 0.000 0.230 321 P C -0.598 176.494 177.300 -0.347 0.000 0.895 321 P CA 2.162 65.153 63.100 -0.183 0.000 1.085 321 P CB 0.085 31.674 31.700 -0.185 0.000 0.664 322 N N -4.234 114.122 118.700 -0.572 0.000 2.694 322 N HA 0.152 4.892 4.740 -0.000 0.000 0.353 322 N C -0.277 174.947 175.510 -0.478 0.000 0.626 322 N CA -0.173 52.166 53.050 -1.186 0.000 1.589 322 N CB 0.395 38.510 38.487 -0.620 0.000 1.286 322 N HN 0.091 nan 8.380 nan 0.000 1.715 323 R N 0.790 121.119 120.500 -0.285 0.000 3.025 323 R HA 0.243 4.583 4.340 -0.000 0.000 0.235 323 R C -3.111 173.006 176.300 -0.304 0.000 1.493 323 R CA -0.781 55.183 56.100 -0.227 0.000 0.923 323 R CB 0.431 30.652 30.300 -0.131 0.000 1.467 323 R HN 0.075 nan 8.270 nan 0.000 0.395 324 P HA 0.012 nan 4.420 nan 0.000 0.252 324 P C -0.810 176.388 177.300 -0.169 0.000 1.183 324 P CA 0.133 63.098 63.100 -0.226 0.000 0.973 324 P CB 0.294 31.916 31.700 -0.129 0.000 0.990 325 N N 2.770 121.324 118.700 -0.243 0.000 2.472 325 N HA 0.155 4.895 4.740 -0.000 0.000 0.277 325 N C -1.076 174.347 175.510 -0.144 0.000 1.081 325 N CA -0.335 52.664 53.050 -0.085 0.000 0.973 325 N CB 0.191 38.582 38.487 -0.160 0.000 1.105 325 N HN 0.186 nan 8.380 nan 0.000 0.470 326 Y N 3.580 123.948 120.300 0.114 0.000 2.383 326 Y HA 0.340 4.890 4.550 -0.000 0.000 0.344 326 Y C -0.043 175.871 175.900 0.023 0.000 0.986 326 Y CA -0.432 57.718 58.100 0.082 0.000 1.175 326 Y CB 0.673 39.221 38.460 0.147 0.000 1.152 326 Y HN 0.340 nan 8.280 nan 0.000 0.511 327 I N 4.547 125.138 120.570 0.035 0.000 2.388 327 I HA 0.520 4.690 4.170 -0.000 0.000 0.281 327 I C 0.131 176.241 176.117 -0.012 0.000 1.046 327 I CA -0.196 61.089 61.300 -0.024 0.000 1.187 327 I CB 0.197 38.128 38.000 -0.114 0.000 1.351 327 I HN 0.618 nan 8.210 nan 0.000 0.472 328 A N 6.279 129.100 122.820 0.002 0.000 2.793 328 A HA 0.820 5.140 4.320 -0.000 0.000 0.236 328 A C -1.416 176.149 177.584 -0.031 0.000 1.242 328 A CA -0.522 51.528 52.037 0.021 0.000 0.885 328 A CB 1.555 20.598 19.000 0.072 0.000 1.436 328 A HN 0.476 nan 8.150 nan 0.000 0.483 329 F N 0.785 120.632 119.950 -0.171 0.000 2.495 329 F HA 0.521 5.048 4.527 -0.000 0.000 0.327 329 F C 0.607 176.232 175.800 -0.292 0.000 1.103 329 F CA -0.896 56.936 58.000 -0.280 0.000 0.949 329 F CB 1.264 40.021 39.000 -0.405 0.000 1.142 329 F HN 0.482 nan 8.300 nan 0.000 0.457 330 R N 4.990 124.848 120.500 -1.071 0.000 2.614 330 R HA -0.101 4.239 4.340 -0.000 0.000 0.335 330 R C 0.130 176.321 176.300 -0.182 0.000 0.859 330 R CA 0.401 56.133 56.100 -0.613 0.000 1.123 330 R CB -0.553 29.296 30.300 -0.751 0.000 0.887 330 R HN 0.778 nan 8.270 nan 0.000 0.407 331 D N 2.670 123.037 120.400 -0.055 0.000 2.370 331 D HA -0.159 4.481 4.640 -0.000 0.000 0.235 331 D C 0.457 176.827 176.300 0.117 0.000 1.228 331 D CA 0.322 54.362 54.000 0.067 0.000 0.884 331 D CB 0.436 41.264 40.800 0.046 0.000 1.201 331 D HN 0.677 nan 8.370 nan 0.000 0.456 332 N N -0.639 118.192 118.700 0.218 0.000 2.922 332 N HA -0.273 4.467 4.740 -0.000 0.000 0.231 332 N C -0.632 175.030 175.510 0.253 0.000 0.889 332 N CA 0.992 54.154 53.050 0.187 0.000 1.027 332 N CB -0.686 37.849 38.487 0.080 0.000 1.059 332 N HN 0.475 nan 8.380 nan 0.000 0.613 333 F N -0.964 118.966 119.950 -0.034 0.000 2.144 333 F HA -0.153 4.374 4.527 -0.000 0.000 0.510 333 F C 0.063 175.811 175.800 -0.087 0.000 1.277 333 F CA 1.069 59.078 58.000 0.014 0.000 1.638 333 F CB -0.898 37.829 39.000 -0.454 0.000 2.620 333 F HN 0.111 nan 8.300 nan 0.000 0.724 334 I N -0.347 120.223 120.570 0.001 0.000 3.375 334 I HA 0.793 4.963 4.170 -0.000 0.000 0.321 334 I C 0.819 176.807 176.117 -0.216 0.000 1.292 334 I CA -0.804 60.419 61.300 -0.128 0.000 0.912 334 I CB 1.425 39.322 38.000 -0.172 0.000 1.301 334 I HN 1.087 nan 8.210 nan 0.000 0.475 335 G N 0.695 109.376 108.800 -0.197 0.000 2.143 335 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.175 335 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.175 335 G C -0.475 174.359 174.900 -0.110 0.000 1.004 335 G CA 0.244 45.219 45.100 -0.208 0.000 0.671 335 G HN 0.968 nan 8.290 nan 0.000 0.512 336 L N -4.551 116.655 121.223 -0.029 0.000 3.091 336 L HA 0.923 5.263 4.340 -0.000 0.000 0.230 336 L C 0.856 177.844 176.870 0.197 0.000 1.556 336 L CA -1.081 53.775 54.840 0.025 0.000 1.607 336 L CB -0.344 41.660 42.059 -0.091 0.000 1.757 336 L HN 0.386 nan 8.230 nan 0.000 0.515 337 M N 0.046 119.898 119.600 0.420 0.000 3.147 337 M HA -0.239 4.241 4.480 -0.000 0.000 0.353 337 M C -1.188 175.417 176.300 0.509 0.000 1.339 337 M CA 0.859 56.533 55.300 0.623 0.000 0.826 337 M CB -1.189 31.565 32.600 0.256 0.000 1.598 337 M HN 0.408 nan 8.290 nan 0.000 0.440 338 Y N 3.441 124.033 120.300 0.488 0.000 2.734 338 Y HA 0.096 4.646 4.550 -0.000 0.000 0.353 338 Y C 0.876 177.068 175.900 0.487 0.000 1.244 338 Y CA -0.197 58.108 58.100 0.342 0.000 1.950 338 Y CB -1.027 37.524 38.460 0.152 0.000 2.028 338 Y HN 0.535 nan 8.280 nan 0.000 0.421 339 Y N 1.325 122.003 120.300 0.629 0.000 2.073 339 Y HA -0.253 4.297 4.550 -0.000 0.000 0.257 339 Y C 0.927 177.138 175.900 0.517 0.000 1.093 339 Y CA 1.489 59.986 58.100 0.661 0.000 1.076 339 Y CB -0.352 38.325 38.460 0.361 0.000 0.984 339 Y HN 0.232 nan 8.280 nan 0.000 0.478 340 N N 0.567 119.670 118.700 0.670 0.000 2.401 340 N HA 0.295 5.035 4.740 -0.000 0.000 0.255 340 N C -1.702 173.994 175.510 0.310 0.000 1.110 340 N CA 0.219 53.532 53.050 0.439 0.000 0.949 340 N CB 0.310 38.987 38.487 0.317 0.000 1.110 340 N HN 0.136 nan 8.380 nan 0.000 0.490 341 S N -0.184 115.659 115.700 0.239 0.000 2.608 341 S HA 0.068 4.538 4.470 -0.000 0.000 0.285 341 S C -0.169 174.481 174.600 0.083 0.000 1.108 341 S CA -1.016 57.266 58.200 0.137 0.000 0.858 341 S CB 1.170 64.435 63.200 0.107 0.000 1.077 341 S HN 0.534 nan 8.310 nan 0.000 0.450 342 T N 0.230 114.812 114.554 0.047 0.000 3.609 342 T HA 0.479 4.829 4.350 -0.000 0.000 0.245 342 T C 1.238 175.926 174.700 -0.021 0.000 0.980 342 T CA 0.482 62.595 62.100 0.021 0.000 0.940 342 T CB -0.474 68.406 68.868 0.020 0.000 1.105 342 T HN 1.246 nan 8.240 nan 0.000 0.627 343 G N 1.635 110.405 108.800 -0.050 0.000 3.685 343 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.215 343 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.215 343 G C 0.783 175.593 174.900 -0.150 0.000 0.987 343 G CA -0.655 44.383 45.100 -0.103 0.000 0.884 343 G HN 0.400 nan 8.290 nan 0.000 0.406 344 N N 1.554 120.183 118.700 -0.117 0.000 2.627 344 N HA 0.051 4.791 4.740 -0.000 0.000 0.196 344 N C 0.773 176.226 175.510 -0.095 0.000 1.268 344 N CA 0.891 53.853 53.050 -0.147 0.000 0.904 344 N CB -0.210 38.164 38.487 -0.189 0.000 1.016 344 N HN 0.565 nan 8.380 nan 0.000 0.448 345 M N -1.694 117.780 119.600 -0.209 0.000 2.369 345 M HA 0.427 4.907 4.480 -0.000 0.000 0.291 345 M C 1.679 177.332 176.300 -1.078 0.000 1.178 345 M CA -0.708 54.327 55.300 -0.442 0.000 0.996 345 M CB -0.064 32.347 32.600 -0.314 0.000 1.472 345 M HN -0.210 nan 8.290 nan 0.000 0.496 346 G N -0.271 106.980 108.800 -2.580 0.000 2.707 346 G HA2 0.368 4.328 3.960 -0.000 0.000 0.192 346 G HA3 0.368 4.328 3.960 -0.000 0.000 0.192 346 G C -0.181 173.997 174.900 -1.203 0.000 1.471 346 G CA 0.991 44.737 45.100 -2.257 0.000 0.865 346 G HN 0.879 nan 8.290 nan 0.000 0.529 347 V N -2.170 117.110 119.914 -1.056 0.000 3.047 347 V HA 0.462 4.582 4.120 -0.000 0.000 0.266 347 V C -2.254 173.351 176.094 -0.816 0.000 1.900 347 V CA -0.450 61.423 62.300 -0.712 0.000 0.937 347 V CB 1.795 33.291 31.823 -0.545 0.000 1.366 347 V HN 1.108 nan 8.190 nan 0.000 0.442 348 L N 3.461 124.340 121.223 -0.574 0.000 2.845 348 L HA 0.915 5.255 4.340 -0.000 0.000 0.253 348 L C -0.815 175.886 176.870 -0.283 0.000 0.959 348 L CA 0.733 55.261 54.840 -0.521 0.000 1.001 348 L CB 1.045 42.861 42.059 -0.405 0.000 1.374 348 L HN 1.673 nan 8.230 nan 0.000 0.469 349 A N 3.023 125.707 122.820 -0.227 0.000 2.408 349 A HA 0.841 5.161 4.320 -0.000 0.000 0.295 349 A C 0.171 177.692 177.584 -0.106 0.000 1.040 349 A CA -0.100 51.843 52.037 -0.157 0.000 0.707 349 A CB 1.213 20.131 19.000 -0.136 0.000 1.235 349 A HN 1.049 nan 8.150 nan 0.000 0.418 350 G N 0.132 108.851 108.800 -0.135 0.000 2.630 350 G HA2 0.317 4.277 3.960 -0.000 0.000 0.236 350 G HA3 0.317 4.277 3.960 -0.000 0.000 0.236 350 G C 0.464 175.409 174.900 0.074 0.000 1.248 350 G CA 0.187 45.275 45.100 -0.021 0.000 0.844 350 G HN 0.878 nan 8.290 nan 0.000 0.588 351 Q N 0.479 120.376 119.800 0.162 0.000 2.165 351 Q HA 0.119 4.459 4.340 -0.000 0.000 0.197 351 Q C 2.448 178.469 176.000 0.035 0.000 0.952 351 Q CA 0.970 56.806 55.803 0.056 0.000 0.848 351 Q CB 0.071 28.823 28.738 0.023 0.000 0.931 351 Q HN 0.620 nan 8.270 nan 0.000 0.470 352 A N -0.111 122.745 122.820 0.060 0.000 2.370 352 A HA 0.121 4.441 4.320 -0.000 0.000 0.238 352 A C 0.910 178.508 177.584 0.024 0.000 1.289 352 A CA 0.567 52.614 52.037 0.018 0.000 0.885 352 A CB 0.171 19.163 19.000 -0.013 0.000 0.961 352 A HN 0.302 nan 8.150 nan 0.000 0.499 353 S N -1.431 114.291 115.700 0.036 0.000 2.822 353 S HA 0.068 4.538 4.470 -0.000 0.000 0.251 353 S C 0.080 174.671 174.600 -0.014 0.000 0.946 353 S CA -0.011 58.198 58.200 0.014 0.000 1.377 353 S CB -1.249 61.964 63.200 0.022 0.000 1.230 353 S HN 0.573 nan 8.310 nan 0.000 0.671 354 Q N 1.477 121.268 119.800 -0.016 0.000 3.359 354 Q HA 0.212 4.552 4.340 -0.000 0.000 0.378 354 Q C -0.454 175.517 176.000 -0.047 0.000 1.043 354 Q CA 0.592 56.370 55.803 -0.041 0.000 1.248 354 Q CB -0.411 28.303 28.738 -0.040 0.000 0.987 354 Q HN 0.542 nan 8.270 nan 0.000 0.436 355 L N 3.230 124.415 121.223 -0.063 0.000 2.491 355 L HA 0.305 4.645 4.340 -0.000 0.000 0.260 355 L C -1.191 175.636 176.870 -0.070 0.000 1.200 355 L CA -0.405 54.401 54.840 -0.056 0.000 0.882 355 L CB 1.158 43.191 42.059 -0.042 0.000 1.058 355 L HN 0.708 nan 8.230 nan 0.000 0.487 356 N N 2.603 121.253 118.700 -0.084 0.000 1.863 356 N HA 0.180 4.920 4.740 -0.000 0.000 0.317 356 N C -0.428 175.040 175.510 -0.071 0.000 1.256 356 N CA 1.441 54.431 53.050 -0.101 0.000 0.793 356 N CB 0.586 39.014 38.487 -0.099 0.000 1.017 356 N HN 0.719 nan 8.380 nan 0.000 0.498 357 A N 1.714 124.487 122.820 -0.079 0.000 2.549 357 A HA 0.730 5.050 4.320 -0.000 0.000 0.297 357 A C -0.636 176.954 177.584 0.010 0.000 1.061 357 A CA -0.443 51.585 52.037 -0.015 0.000 0.690 357 A CB 1.657 20.647 19.000 -0.016 0.000 1.287 357 A HN 1.039 nan 8.150 nan 0.000 0.402 358 V N -0.187 119.806 119.914 0.133 0.000 3.199 358 V HA 0.109 4.229 4.120 -0.000 0.000 0.462 358 V C -0.600 175.631 176.094 0.228 0.000 0.682 358 V CA 0.502 62.948 62.300 0.244 0.000 2.001 358 V CB -0.281 31.628 31.823 0.143 0.000 2.468 358 V HN 2.462 nan 8.190 nan 0.000 0.496 359 V N 2.327 122.461 119.914 0.366 0.000 2.577 359 V HA 0.909 5.029 4.120 -0.000 0.000 0.303 359 V C -0.694 175.615 176.094 0.358 0.000 1.042 359 V CA -0.531 61.931 62.300 0.270 0.000 0.872 359 V CB 2.114 34.036 31.823 0.165 0.000 0.998 359 V HN 0.806 nan 8.190 nan 0.000 0.423 360 D N 3.992 124.577 120.400 0.308 0.000 2.308 360 D HA 0.787 5.427 4.640 -0.000 0.000 0.242 360 D C -0.504 175.941 176.300 0.241 0.000 1.059 360 D CA 0.071 54.295 54.000 0.374 0.000 0.830 360 D CB 2.520 43.607 40.800 0.479 0.000 1.161 360 D HN 0.698 nan 8.370 nan 0.000 0.494 361 L N 1.414 122.772 121.223 0.225 0.000 2.192 361 L HA 0.245 4.585 4.340 -0.000 0.000 0.250 361 L C 1.087 178.050 176.870 0.156 0.000 1.114 361 L CA -0.522 54.412 54.840 0.156 0.000 1.065 361 L CB 1.386 43.520 42.059 0.125 0.000 1.609 361 L HN 0.138 nan 8.230 nan 0.000 0.495 362 Q N -0.863 119.006 119.800 0.115 0.000 2.373 362 Q HA 0.131 4.471 4.340 -0.000 0.000 0.210 362 Q C -0.466 175.588 176.000 0.091 0.000 0.913 362 Q CA 0.328 56.193 55.803 0.104 0.000 0.911 362 Q CB 0.007 28.789 28.738 0.073 0.000 1.040 362 Q HN 0.478 nan 8.270 nan 0.000 0.521 363 D N 2.067 122.515 120.400 0.081 0.000 2.441 363 D HA 0.226 4.866 4.640 -0.000 0.000 0.221 363 D C -0.518 175.837 176.300 0.091 0.000 1.156 363 D CA 0.030 54.067 54.000 0.061 0.000 0.896 363 D CB 0.282 41.110 40.800 0.046 0.000 1.028 363 D HN 0.025 nan 8.370 nan 0.000 0.509 364 R N 2.547 123.109 120.500 0.103 0.000 3.087 364 R HA -0.165 4.175 4.340 -0.000 0.000 0.406 364 R C -1.994 174.411 176.300 0.175 0.000 1.211 364 R CA -0.258 55.921 56.100 0.131 0.000 1.098 364 R CB -0.963 29.406 30.300 0.114 0.000 2.759 364 R HN 0.578 nan 8.270 nan 0.000 0.626 365 N N 0.582 119.401 118.700 0.198 0.000 2.370 365 N HA 0.416 5.156 4.740 -0.000 0.000 0.303 365 N C 0.380 175.952 175.510 0.104 0.000 1.103 365 N CA 0.306 53.458 53.050 0.170 0.000 0.848 365 N CB 1.995 40.600 38.487 0.197 0.000 1.235 365 N HN 0.579 nan 8.380 nan 0.000 0.496 366 T N 0.562 115.167 114.554 0.084 0.000 3.038 366 T HA 0.055 4.405 4.350 -0.000 0.000 0.244 366 T C -0.003 174.696 174.700 -0.002 0.000 1.016 366 T CA 0.378 62.537 62.100 0.098 0.000 1.098 366 T CB -0.251 68.779 68.868 0.269 0.000 0.954 366 T HN 0.684 nan 8.240 nan 0.000 0.469 367 E N 2.068 122.147 120.200 -0.202 0.000 2.888 367 E HA 0.265 4.615 4.350 -0.000 0.000 0.271 367 E C -0.258 176.333 176.600 -0.015 0.000 1.527 367 E CA -0.183 56.112 56.400 -0.175 0.000 1.700 367 E CB -0.561 28.762 29.700 -0.628 0.000 1.410 367 E HN 0.410 nan 8.360 nan 0.000 0.445 368 L N -0.863 120.321 121.223 -0.066 0.000 2.471 368 L HA 0.466 4.806 4.340 -0.000 0.000 0.263 368 L C -0.944 175.687 176.870 -0.398 0.000 0.985 368 L CA 0.105 54.827 54.840 -0.197 0.000 0.868 368 L CB 1.608 43.503 42.059 -0.273 0.000 1.203 368 L HN 0.132 nan 8.230 nan 0.000 0.429 369 S N 1.676 116.970 115.700 -0.677 0.000 3.102 369 S HA 0.337 4.807 4.470 -0.000 0.000 0.292 369 S C -0.448 173.620 174.600 -0.886 0.000 1.249 369 S CA 0.093 57.757 58.200 -0.894 0.000 1.397 369 S CB -0.259 62.340 63.200 -1.002 0.000 1.421 369 S HN 0.749 nan 8.310 nan 0.000 0.410 370 Y N 0.222 120.430 120.300 -0.154 0.000 3.035 370 Y HA -0.361 4.189 4.550 -0.000 0.000 0.474 370 Y C 1.739 177.510 175.900 -0.214 0.000 1.222 370 Y CA 1.610 59.629 58.100 -0.134 0.000 2.575 370 Y CB -1.820 36.584 38.460 -0.093 0.000 0.874 370 Y HN 0.621 nan 8.280 nan 0.000 0.516 371 Q N 1.522 121.236 119.800 -0.144 0.000 2.425 371 Q HA 0.169 4.509 4.340 -0.000 0.000 0.204 371 Q C 1.540 177.299 176.000 -0.401 0.000 0.933 371 Q CA 1.329 56.951 55.803 -0.301 0.000 0.939 371 Q CB -0.027 28.661 28.738 -0.083 0.000 1.044 371 Q HN 0.675 nan 8.270 nan 0.000 0.513 372 L N 0.757 121.781 121.223 -0.331 0.000 2.034 372 L HA -0.095 4.245 4.340 -0.000 0.000 0.203 372 L C 2.312 179.083 176.870 -0.164 0.000 1.074 372 L CA 0.872 55.528 54.840 -0.306 0.000 0.748 372 L CB -1.184 40.446 42.059 -0.714 0.000 0.905 372 L HN 0.133 nan 8.230 nan 0.000 0.439 373 L N -1.618 119.535 121.223 -0.117 0.000 2.068 373 L HA -0.006 4.334 4.340 -0.000 0.000 0.204 373 L C 2.285 179.093 176.870 -0.103 0.000 1.076 373 L CA 1.120 55.959 54.840 -0.002 0.000 0.753 373 L CB -1.680 40.419 42.059 0.067 0.000 0.910 373 L HN 0.240 nan 8.230 nan 0.000 0.439 374 L N 1.548 122.648 121.223 -0.205 0.000 3.045 374 L HA -0.417 3.923 4.340 -0.000 0.000 0.232 374 L C 2.286 179.050 176.870 -0.177 0.000 3.384 374 L CA 3.275 57.940 54.840 -0.292 0.000 0.793 374 L CB -1.603 40.020 42.059 -0.726 0.000 2.550 374 L HN 0.833 nan 8.230 nan 0.000 0.401 375 D N -1.368 118.938 120.400 -0.156 0.000 2.333 375 D HA -0.055 4.585 4.640 -0.000 0.000 0.208 375 D C 1.073 177.431 176.300 0.097 0.000 0.984 375 D CA 0.753 54.795 54.000 0.071 0.000 0.873 375 D CB -0.020 40.971 40.800 0.320 0.000 0.935 375 D HN 0.464 nan 8.370 nan 0.000 0.521 376 S N 0.870 116.618 115.700 0.080 0.000 3.110 376 S HA 0.106 4.576 4.470 -0.000 0.000 0.253 376 S C 1.455 176.100 174.600 0.076 0.000 1.074 376 S CA 0.140 58.401 58.200 0.101 0.000 1.201 376 S CB -0.844 62.413 63.200 0.096 0.000 0.889 376 S HN 0.629 nan 8.310 nan 0.000 0.490 377 I N -4.880 115.729 120.570 0.065 0.000 5.221 377 I HA 0.417 4.587 4.170 -0.000 0.000 0.332 377 I C 0.697 176.843 176.117 0.049 0.000 1.170 377 I CA -0.339 60.991 61.300 0.050 0.000 1.501 377 I CB -0.000 38.013 38.000 0.021 0.000 1.706 377 I HN 0.228 nan 8.210 nan 0.000 0.564 378 G N 0.698 109.523 108.800 0.043 0.000 3.217 378 G HA2 0.474 4.434 3.960 -0.000 0.000 0.213 378 G HA3 0.474 4.434 3.960 -0.000 0.000 0.213 378 G C -1.855 173.077 174.900 0.054 0.000 1.294 378 G CA -0.040 45.080 45.100 0.033 0.000 0.987 378 G HN 0.126 nan 8.290 nan 0.000 0.584 379 D N -1.508 118.909 120.400 0.028 0.000 2.506 379 D HA 0.594 5.234 4.640 -0.000 0.000 0.272 379 D C 0.531 176.836 176.300 0.008 0.000 1.214 379 D CA -0.400 53.614 54.000 0.023 0.000 1.067 379 D CB 0.961 41.760 40.800 -0.003 0.000 1.117 379 D HN 0.196 nan 8.370 nan 0.000 0.578 380 R N -0.552 119.930 120.500 -0.030 0.000 2.508 380 R HA 0.138 4.478 4.340 -0.000 0.000 0.420 380 R C -0.222 175.953 176.300 -0.207 0.000 0.866 380 R CA -0.005 56.049 56.100 -0.077 0.000 1.103 380 R CB 0.565 30.855 30.300 -0.017 0.000 1.657 380 R HN 0.246 nan 8.270 nan 0.000 0.562 381 T N 0.899 115.316 114.554 -0.229 0.000 3.215 381 T HA 0.156 4.506 4.350 -0.000 0.000 0.271 381 T C 0.290 174.696 174.700 -0.490 0.000 1.012 381 T CA 0.086 61.999 62.100 -0.311 0.000 0.899 381 T CB 0.040 68.839 68.868 -0.116 0.000 1.089 381 T HN 0.090 nan 8.240 nan 0.000 0.552 382 R N 1.105 121.299 120.500 -0.509 0.000 2.734 382 R HA 0.228 4.568 4.340 -0.000 0.000 0.268 382 R C -0.501 175.656 176.300 -0.238 0.000 1.785 382 R CA -0.437 55.462 56.100 -0.335 0.000 1.461 382 R CB 0.099 30.344 30.300 -0.092 0.000 1.308 382 R HN 0.170 nan 8.270 nan 0.000 0.586 383 Y N 2.347 122.743 120.300 0.160 0.000 2.017 383 Y HA 0.078 4.628 4.550 -0.000 0.000 0.207 383 Y C 0.668 176.718 175.900 0.249 0.000 0.649 383 Y CA 0.900 59.112 58.100 0.186 0.000 0.852 383 Y CB -0.191 38.408 38.460 0.232 0.000 0.858 383 Y HN 0.442 nan 8.280 nan 0.000 0.766 384 F N -2.168 117.863 119.950 0.135 0.000 3.069 384 F HA 0.345 4.872 4.527 -0.000 0.000 0.333 384 F C -0.347 175.279 175.800 -0.290 0.000 1.111 384 F CA -0.814 57.170 58.000 -0.027 0.000 0.868 384 F CB 0.146 39.149 39.000 0.005 0.000 1.409 384 F HN 0.488 nan 8.300 nan 0.000 0.450 385 S N 2.021 116.936 115.700 -1.310 0.000 4.413 385 S HA 0.349 4.819 4.470 -0.000 0.000 0.213 385 S C 1.249 175.240 174.600 -1.015 0.000 1.104 385 S CA 0.497 58.083 58.200 -1.024 0.000 1.790 385 S CB 0.042 62.949 63.200 -0.488 0.000 0.973 385 S HN 0.914 nan 8.310 nan 0.000 0.757 386 M N 0.618 119.862 119.600 -0.594 0.000 2.747 386 M HA -0.257 4.223 4.480 -0.000 0.000 0.265 386 M C 1.352 177.586 176.300 -0.111 0.000 0.853 386 M CA 2.546 57.664 55.300 -0.302 0.000 0.955 386 M CB -1.926 30.467 32.600 -0.344 0.000 1.508 386 M HN 0.828 nan 8.290 nan 0.000 0.464 387 W N -0.635 120.240 121.300 -0.708 0.000 2.993 387 W HA 0.116 4.776 4.660 -0.000 0.000 0.290 387 W C 0.325 176.589 176.519 -0.426 0.000 1.203 387 W CA -0.154 56.587 57.345 -1.006 0.000 1.582 387 W CB 0.533 29.698 29.460 -0.493 0.000 1.033 387 W HN 0.406 nan 8.180 nan 0.000 0.594 388 N N 1.065 119.802 118.700 0.062 0.000 4.203 388 N HA -0.174 4.566 4.740 -0.000 0.000 0.315 388 N C -0.486 175.377 175.510 0.589 0.000 2.219 388 N CA 0.722 53.944 53.050 0.287 0.000 2.791 388 N CB -0.647 38.052 38.487 0.353 0.000 0.343 388 N HN 0.161 nan 8.380 nan 0.000 0.581 389 Q N 1.897 122.121 119.800 0.706 0.000 1.986 389 Q HA 0.304 4.644 4.340 -0.000 0.000 0.225 389 Q C -1.587 174.607 176.000 0.323 0.000 0.836 389 Q CA 0.082 56.112 55.803 0.377 0.000 1.008 389 Q CB 0.504 29.263 28.738 0.036 0.000 1.253 389 Q HN 0.563 nan 8.270 nan 0.000 0.415 390 A N 1.179 124.171 122.820 0.288 0.000 3.105 390 A HA 0.491 4.811 4.320 -0.000 0.000 0.336 390 A C -0.205 177.481 177.584 0.170 0.000 1.042 390 A CA -0.334 51.842 52.037 0.232 0.000 0.851 390 A CB 0.647 19.758 19.000 0.184 0.000 1.068 390 A HN 0.188 nan 8.150 nan 0.000 0.477 391 V N 0.942 120.965 119.914 0.183 0.000 3.484 391 V HA 0.023 4.143 4.120 -0.000 0.000 0.304 391 V C -0.035 176.060 176.094 0.001 0.000 1.116 391 V CA 0.232 62.593 62.300 0.102 0.000 1.187 391 V CB 0.547 32.474 31.823 0.174 0.000 1.062 391 V HN 0.730 nan 8.190 nan 0.000 0.489 392 D N 3.561 123.908 120.400 -0.088 0.000 2.470 392 D HA 0.248 4.888 4.640 -0.000 0.000 0.226 392 D C 0.388 176.527 176.300 -0.269 0.000 1.196 392 D CA 0.285 54.203 54.000 -0.137 0.000 0.979 392 D CB 0.658 41.369 40.800 -0.149 0.000 1.059 392 D HN 0.694 nan 8.370 nan 0.000 0.515 393 S N 1.474 117.088 115.700 -0.142 0.000 4.089 393 S HA 0.684 5.154 4.470 -0.000 0.000 0.191 393 S C -0.004 174.669 174.600 0.121 0.000 0.964 393 S CA -0.342 57.730 58.200 -0.214 0.000 1.612 393 S CB 0.565 63.569 63.200 -0.326 0.000 0.736 393 S HN 0.537 nan 8.310 nan 0.000 0.773 394 Y N -1.080 119.233 120.300 0.020 0.000 2.961 394 Y HA 0.559 5.109 4.550 -0.000 0.000 0.391 394 Y C -1.983 173.922 175.900 0.007 0.000 1.385 394 Y CA -1.241 56.866 58.100 0.011 0.000 1.106 394 Y CB -0.375 38.083 38.460 -0.003 0.000 2.965 394 Y HN 0.402 nan 8.280 nan 0.000 0.351 395 D N 2.243 122.801 120.400 0.263 0.000 2.317 395 D HA 0.423 5.063 4.640 -0.000 0.000 0.234 395 D C -1.938 174.493 176.300 0.219 0.000 1.112 395 D CA -2.600 51.484 54.000 0.140 0.000 0.840 395 D CB 1.470 42.310 40.800 0.067 0.000 1.078 395 D HN 0.191 nan 8.370 nan 0.000 0.486 396 P HA -0.181 nan 4.420 nan 0.000 0.219 396 P C 0.197 177.604 177.300 0.178 0.000 1.149 396 P CA 1.124 64.295 63.100 0.119 0.000 0.835 396 P CB 0.233 31.951 31.700 0.029 0.000 0.778 397 D N -1.663 118.813 120.400 0.126 0.000 2.349 397 D HA 0.031 4.671 4.640 -0.000 0.000 0.224 397 D C 0.568 176.909 176.300 0.068 0.000 1.029 397 D CA 0.401 54.457 54.000 0.092 0.000 0.879 397 D CB 0.249 41.083 40.800 0.056 0.000 0.906 397 D HN 0.106 nan 8.370 nan 0.000 0.528 398 V N 0.959 120.920 119.914 0.079 0.000 2.630 398 V HA 0.384 4.504 4.120 -0.000 0.000 0.305 398 V C 0.977 176.820 176.094 -0.418 0.000 1.046 398 V CA -0.690 61.541 62.300 -0.115 0.000 0.934 398 V CB 2.279 34.040 31.823 -0.104 0.000 1.003 398 V HN 0.128 nan 8.190 nan 0.000 0.451 399 R N 3.878 124.063 120.500 -0.525 0.000 1.254 399 R HA -0.282 4.058 4.340 -0.000 0.000 0.021 399 R C 0.369 176.458 176.300 -0.352 0.000 0.960 399 R CA 2.255 57.964 56.100 -0.652 0.000 1.975 399 R CB -2.035 27.517 30.300 -1.246 0.000 0.151 399 R HN 0.558 nan 8.270 nan 0.000 0.730 400 I N 3.199 123.622 120.570 -0.244 0.000 2.566 400 I HA 0.199 4.369 4.170 -0.000 0.000 0.286 400 I C 1.013 177.134 176.117 0.005 0.000 1.060 400 I CA 0.684 61.947 61.300 -0.062 0.000 2.222 400 I CB -0.897 37.144 38.000 0.069 0.000 1.534 400 I HN 0.467 nan 8.210 nan 0.000 0.987 401 I N 1.541 122.106 120.570 -0.008 0.000 4.907 401 I HA -0.537 3.633 4.170 -0.000 0.000 0.038 401 I C 1.595 177.792 176.117 0.135 0.000 0.635 401 I CA 1.930 63.284 61.300 0.089 0.000 0.234 401 I CB -0.647 37.438 38.000 0.141 0.000 0.333 401 I HN 0.618 nan 8.210 nan 0.000 0.156 402 E N -1.277 119.030 120.200 0.178 0.000 1.138 402 E HA -0.075 4.275 4.350 -0.000 0.000 0.200 402 E C -0.253 176.475 176.600 0.213 0.000 0.797 402 E CA 0.472 56.974 56.400 0.171 0.000 0.854 402 E CB -0.468 29.338 29.700 0.176 0.000 4.724 402 E HN 0.611 nan 8.360 nan 0.000 0.561 403 N N 2.520 121.374 118.700 0.256 0.000 2.974 403 N HA -0.214 4.526 4.740 -0.000 0.000 0.298 403 N C 0.099 175.718 175.510 0.183 0.000 1.048 403 N CA 1.754 54.954 53.050 0.251 0.000 0.849 403 N CB -0.753 37.884 38.487 0.250 0.000 0.952 403 N HN 0.551 nan 8.380 nan 0.000 0.615 404 H N -0.847 118.198 119.070 -0.042 0.000 2.672 404 H HA 0.240 4.796 4.556 -0.000 0.000 0.277 404 H C 0.719 175.942 175.328 -0.176 0.000 1.074 404 H CA 0.410 56.415 56.048 -0.072 0.000 1.173 404 H CB -0.070 29.659 29.762 -0.057 0.000 1.558 404 H HN 0.309 nan 8.280 nan 0.000 0.539 405 G N 3.290 111.744 108.800 -0.577 0.000 2.402 405 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.206 405 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.206 405 G C 0.331 174.652 174.900 -0.965 0.000 0.637 405 G CA 0.516 45.171 45.100 -0.742 0.000 0.974 405 G HN 0.843 nan 8.290 nan 0.000 0.308 406 T N 0.122 113.823 114.554 -1.422 0.000 2.906 406 T HA 0.211 4.561 4.350 -0.000 0.000 0.329 406 T C 0.776 175.184 174.700 -0.486 0.000 1.091 406 T CA 0.597 62.155 62.100 -0.903 0.000 1.127 406 T CB 0.896 69.321 68.868 -0.739 0.000 1.035 406 T HN 0.612 nan 8.240 nan 0.000 0.547 407 E N 1.878 121.910 120.200 -0.279 0.000 3.187 407 E HA 0.013 4.363 4.350 -0.000 0.000 0.297 407 E C 1.201 177.744 176.600 -0.094 0.000 1.515 407 E CA -0.131 56.185 56.400 -0.140 0.000 1.641 407 E CB -0.453 29.201 29.700 -0.076 0.000 1.314 407 E HN 0.579 nan 8.360 nan 0.000 0.462 408 D N 1.915 122.257 120.400 -0.096 0.000 2.321 408 D HA -0.292 4.348 4.640 -0.000 0.000 0.194 408 D C 0.291 176.586 176.300 -0.008 0.000 1.013 408 D CA 1.169 55.160 54.000 -0.014 0.000 0.863 408 D CB -0.631 40.204 40.800 0.057 0.000 1.011 408 D HN 0.411 nan 8.370 nan 0.000 0.457 409 E N 0.968 121.163 120.200 -0.007 0.000 4.277 409 E HA -0.185 4.165 4.350 -0.000 0.000 0.385 409 E C 0.343 176.942 176.600 -0.002 0.000 0.840 409 E CA 0.442 56.839 56.400 -0.006 0.000 1.369 409 E CB -0.108 29.587 29.700 -0.010 0.000 0.753 409 E HN 0.467 nan 8.360 nan 0.000 0.403 410 L N -0.872 120.351 121.223 0.001 0.000 0.604 410 L HA -0.132 4.208 4.340 -0.000 0.000 0.358 410 L C -2.550 174.317 176.870 -0.005 0.000 1.004 410 L CA 0.042 54.886 54.840 0.007 0.000 1.222 410 L CB -0.276 41.792 42.059 0.014 0.000 0.183 410 L HN 0.621 nan 8.230 nan 0.000 0.139 411 P HA 0.324 nan 4.420 nan 0.000 0.294 411 P C -1.258 176.005 177.300 -0.062 0.000 1.389 411 P CA -0.469 62.596 63.100 -0.059 0.000 0.875 411 P CB 0.869 32.538 31.700 -0.052 0.000 1.018 412 N N 3.053 121.696 118.700 -0.093 0.000 2.485 412 N HA 0.233 4.973 4.740 -0.000 0.000 0.243 412 N C 0.238 175.652 175.510 -0.159 0.000 0.987 412 N CA -0.337 52.678 53.050 -0.058 0.000 0.940 412 N CB 0.171 38.637 38.487 -0.035 0.000 1.122 412 N HN 0.261 nan 8.380 nan 0.000 0.509 413 Y N 0.794 121.065 120.300 -0.049 0.000 2.495 413 Y HA -0.011 4.539 4.550 -0.000 0.000 0.463 413 Y C 1.413 177.165 175.900 -0.247 0.000 1.293 413 Y CA 0.128 58.174 58.100 -0.089 0.000 2.053 413 Y CB 0.361 38.823 38.460 0.003 0.000 1.725 413 Y HN 0.521 nan 8.280 nan 0.000 0.719 414 C N 0.593 119.807 119.300 -0.143 0.000 2.656 414 C HA 0.306 4.766 4.460 -0.000 0.000 0.339 414 C C -1.356 173.489 174.990 -0.241 0.000 0.788 414 C CA -1.541 57.272 59.018 -0.342 0.000 0.990 414 C CB -2.243 25.397 27.740 -0.167 0.000 1.496 414 C HN 0.488 nan 8.230 nan 0.000 0.674 415 F N 2.090 122.079 119.950 0.065 0.000 2.471 415 F HA 0.662 5.189 4.527 -0.000 0.000 0.365 415 F C -1.067 174.714 175.800 -0.033 0.000 1.095 415 F CA -2.587 55.425 58.000 0.020 0.000 1.174 415 F CB -0.819 38.171 39.000 -0.017 0.000 1.105 415 F HN 0.257 nan 8.300 nan 0.000 0.535 416 P HA -0.191 nan 4.420 nan 0.000 0.278 416 P C 0.898 178.131 177.300 -0.112 0.000 1.271 416 P CA 0.090 63.201 63.100 0.018 0.000 0.860 416 P CB 0.513 32.249 31.700 0.060 0.000 0.864 417 L N -1.445 119.633 121.223 -0.242 0.000 2.865 417 L HA -0.051 4.289 4.340 -0.000 0.000 0.249 417 L C 1.650 177.710 176.870 -1.349 0.000 1.187 417 L CA 1.401 55.849 54.840 -0.652 0.000 0.856 417 L CB -1.417 40.367 42.059 -0.458 0.000 1.023 417 L HN 0.646 nan 8.230 nan 0.000 0.461 418 G N -1.829 106.615 108.800 -0.593 0.000 3.824 418 G HA2 0.461 4.421 3.960 -0.000 0.000 0.198 418 G HA3 0.461 4.421 3.960 -0.000 0.000 0.198 418 G C 0.624 175.503 174.900 -0.035 0.000 1.400 418 G CA 0.500 45.422 45.100 -0.298 0.000 0.912 418 G HN 0.269 nan 8.290 nan 0.000 0.638 419 G N -0.543 108.277 108.800 0.034 0.000 4.432 419 G HA2 0.272 4.232 3.960 -0.000 0.000 0.158 419 G HA3 0.272 4.232 3.960 -0.000 0.000 0.158 419 G C 0.494 175.429 174.900 0.059 0.000 1.637 419 G CA 0.964 46.080 45.100 0.026 0.000 0.900 419 G HN 0.990 nan 8.290 nan 0.000 0.292 420 V N 1.212 121.164 119.914 0.065 0.000 4.690 420 V HA 0.747 4.867 4.120 -0.000 0.000 0.267 420 V C 0.988 177.154 176.094 0.120 0.000 1.088 420 V CA 0.666 63.011 62.300 0.075 0.000 0.686 420 V CB 1.141 32.999 31.823 0.059 0.000 1.152 420 V HN 0.585 nan 8.190 nan 0.000 0.353 421 I N -1.653 118.991 120.570 0.123 0.000 3.631 421 I HA 0.424 4.594 4.170 -0.000 0.000 0.294 421 I C 0.361 176.537 176.117 0.099 0.000 1.154 421 I CA -0.871 60.507 61.300 0.131 0.000 1.092 421 I CB 1.627 39.733 38.000 0.176 0.000 1.367 421 I HN 0.702 nan 8.210 nan 0.000 0.470 422 N N 0.692 119.440 118.700 0.080 0.000 1.421 422 N HA -0.198 4.542 4.740 -0.000 0.000 0.133 422 N C -0.693 174.850 175.510 0.055 0.000 0.832 422 N CA 1.664 54.749 53.050 0.058 0.000 0.831 422 N CB -0.427 38.085 38.487 0.042 0.000 1.096 422 N HN 0.775 nan 8.380 nan 0.000 0.737 423 T N -2.218 112.360 114.554 0.040 0.000 2.716 423 T HA 0.759 5.109 4.350 -0.000 0.000 0.286 423 T C -0.877 173.836 174.700 0.022 0.000 1.052 423 T CA -0.845 61.275 62.100 0.033 0.000 1.024 423 T CB 2.621 71.507 68.868 0.030 0.000 1.349 423 T HN 0.646 nan 8.240 nan 0.000 0.525 424 E N -0.778 119.431 120.200 0.016 0.000 2.650 424 E HA 0.368 4.718 4.350 -0.000 0.000 0.297 424 E C -1.928 174.674 176.600 0.004 0.000 1.131 424 E CA -0.479 55.927 56.400 0.009 0.000 0.913 424 E CB 1.113 30.818 29.700 0.009 0.000 1.181 424 E HN 0.671 nan 8.360 nan 0.000 0.440 425 T N 3.441 117.995 114.554 0.000 0.000 2.855 425 T HA 0.732 5.082 4.350 -0.000 0.000 0.281 425 T C -0.932 173.764 174.700 -0.007 0.000 1.007 425 T CA -0.393 61.705 62.100 -0.004 0.000 1.009 425 T CB 0.624 69.490 68.868 -0.003 0.000 0.983 425 T HN 0.346 nan 8.240 nan 0.000 0.455 426 L N 1.647 122.863 121.223 -0.010 0.000 2.445 426 L HA 0.458 4.798 4.340 -0.000 0.000 0.262 426 L C -0.001 176.860 176.870 -0.016 0.000 0.974 426 L CA -0.712 54.119 54.840 -0.016 0.000 0.822 426 L CB 2.611 44.658 42.059 -0.020 0.000 1.339 426 L HN 0.534 nan 8.230 nan 0.000 0.409 427 T N 2.654 117.196 114.554 -0.021 0.000 2.780 427 T HA 0.267 4.617 4.350 -0.000 0.000 0.294 427 T C 0.724 175.407 174.700 -0.029 0.000 0.949 427 T CA -0.552 61.537 62.100 -0.019 0.000 1.074 427 T CB 0.966 69.820 68.868 -0.024 0.000 0.910 427 T HN 0.416 nan 8.240 nan 0.000 0.501 428 K N 1.735 122.129 120.400 -0.011 0.000 2.534 428 K HA 0.209 4.529 4.320 -0.000 0.000 0.240 428 K C 0.352 176.921 176.600 -0.052 0.000 0.708 428 K CA 0.282 56.562 56.287 -0.011 0.000 0.876 428 K CB -0.057 32.467 32.500 0.040 0.000 0.497 428 K HN 0.346 nan 8.250 nan 0.000 0.997 429 V N -0.557 119.330 119.914 -0.044 0.000 3.268 429 V HA 0.113 4.233 4.120 -0.000 0.000 0.270 429 V C -1.970 174.095 176.094 -0.048 0.000 1.845 429 V CA -1.004 61.239 62.300 -0.095 0.000 1.004 429 V CB 2.186 33.909 31.823 -0.167 0.000 1.290 429 V HN 0.855 nan 8.190 nan 0.000 0.477 430 K N 1.196 121.565 120.400 -0.052 0.000 2.466 430 K HA 0.928 5.248 4.320 -0.000 0.000 0.260 430 K C -2.656 173.969 176.600 0.042 0.000 1.011 430 K CA -1.115 55.173 56.287 0.002 0.000 0.871 430 K CB 0.704 33.212 32.500 0.012 0.000 1.404 430 K HN 0.400 nan 8.250 nan 0.000 0.450 431 P HA 0.484 nan 4.420 nan 0.000 0.285 431 P C -0.415 176.944 177.300 0.098 0.000 1.326 431 P CA 0.251 63.406 63.100 0.092 0.000 0.805 431 P CB 0.535 32.272 31.700 0.062 0.000 2.055 432 K N -3.647 116.793 120.400 0.067 0.000 2.537 432 K HA -0.134 4.186 4.320 -0.000 0.000 0.441 432 K C 0.849 177.473 176.600 0.041 0.000 0.348 432 K CA 2.192 58.510 56.287 0.053 0.000 1.961 432 K CB -1.834 30.706 32.500 0.066 0.000 0.512 432 K HN 0.469 nan 8.250 nan 0.000 0.350 433 T N -1.851 112.731 114.554 0.046 0.000 9.189 433 T HA -0.139 4.211 4.350 -0.000 0.000 0.327 433 T C 0.740 175.450 174.700 0.017 0.000 1.987 433 T CA 2.181 64.299 62.100 0.029 0.000 3.270 433 T CB -2.126 66.754 68.868 0.020 0.000 1.870 433 T HN 1.373 nan 8.240 nan 0.000 0.772 434 G N 2.733 111.545 108.800 0.020 0.000 2.227 434 G HA2 0.195 4.155 3.960 -0.000 0.000 0.250 434 G HA3 0.195 4.155 3.960 -0.000 0.000 0.250 434 G C 0.633 175.528 174.900 -0.007 0.000 0.910 434 G CA 1.460 46.566 45.100 0.010 0.000 0.922 434 G HN 1.351 nan 8.290 nan 0.000 0.385 435 Q N 0.962 120.753 119.800 -0.015 0.000 2.174 435 Q HA -0.348 3.992 4.340 -0.000 0.000 0.427 435 Q C 1.146 177.120 176.000 -0.042 0.000 0.692 435 Q CA 1.972 57.758 55.803 -0.029 0.000 0.909 435 Q CB -0.852 27.862 28.738 -0.038 0.000 3.026 435 Q HN 0.554 nan 8.270 nan 0.000 0.891 436 E N 1.014 121.171 120.200 -0.071 0.000 2.134 436 E HA 0.078 4.428 4.350 -0.000 0.000 0.194 436 E C 0.294 176.814 176.600 -0.133 0.000 0.937 436 E CA 0.965 57.312 56.400 -0.089 0.000 0.874 436 E CB 0.216 29.858 29.700 -0.097 0.000 0.853 436 E HN 0.679 nan 8.360 nan 0.000 0.471 437 N N 0.255 118.821 118.700 -0.223 0.000 2.617 437 N HA 0.326 5.066 4.740 -0.000 0.000 0.263 437 N C 0.719 176.020 175.510 -0.348 0.000 1.074 437 N CA -0.200 52.615 53.050 -0.392 0.000 0.841 437 N CB 1.943 39.999 38.487 -0.717 0.000 1.221 437 N HN -0.061 nan 8.380 nan 0.000 0.529 438 G N 1.963 110.727 108.800 -0.060 0.000 2.982 438 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.193 438 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.193 438 G C -0.388 174.688 174.900 0.294 0.000 1.431 438 G CA 0.264 45.432 45.100 0.114 0.000 0.787 438 G HN 0.752 nan 8.290 nan 0.000 0.720 439 W N -1.495 119.808 121.300 0.004 0.000 3.078 439 W HA -0.073 4.587 4.660 -0.000 0.000 0.466 439 W C 0.093 176.614 176.519 0.004 0.000 1.855 439 W CA 0.039 57.387 57.345 0.005 0.000 0.459 439 W CB -0.580 28.883 29.460 0.005 0.000 2.859 439 W HN 0.652 nan 8.180 nan 0.000 0.416 440 E N 0.818 121.089 120.200 0.119 0.000 0.490 440 E HA 0.120 4.470 4.350 -0.000 0.000 0.132 440 E C -1.256 175.336 176.600 -0.013 0.000 2.496 440 E CA -0.726 55.706 56.400 0.054 0.000 1.476 440 E CB 0.314 30.053 29.700 0.066 0.000 0.581 440 E HN 0.105 nan 8.360 nan 0.000 0.891 441 K N 0.974 121.371 120.400 -0.005 0.000 2.400 441 K HA 0.433 4.753 4.320 -0.000 0.000 0.246 441 K C -0.879 175.712 176.600 -0.015 0.000 0.995 441 K CA -0.418 55.858 56.287 -0.019 0.000 0.840 441 K CB 1.660 34.152 32.500 -0.012 0.000 1.293 441 K HN 0.252 nan 8.250 nan 0.000 0.445 442 D N -0.005 120.388 120.400 -0.013 0.000 2.506 442 D HA 0.661 5.301 4.640 -0.000 0.000 0.272 442 D C -0.874 175.408 176.300 -0.030 0.000 1.214 442 D CA -0.144 53.852 54.000 -0.006 0.000 1.067 442 D CB 1.429 42.252 40.800 0.038 0.000 1.117 442 D HN 0.577 nan 8.370 nan 0.000 0.578 447 S N -0.658 115.185 115.700 0.238 0.000 2.851 447 S HA 0.380 4.850 4.470 -0.000 0.000 0.313 447 S C -0.986 173.648 174.600 0.056 0.000 1.163 447 S CA 0.066 58.328 58.200 0.104 0.000 0.850 447 S CB 1.353 64.592 63.200 0.064 0.000 1.245 447 S HN 0.530 nan 8.310 nan 0.000 0.558 448 D N 0.029 120.446 120.400 0.029 0.000 3.050 448 D HA 0.111 4.751 4.640 -0.000 0.000 0.281 448 D C 0.275 176.576 176.300 0.002 0.000 1.246 448 D CA -0.173 53.834 54.000 0.012 0.000 1.073 448 D CB -0.317 40.488 40.800 0.009 0.000 1.382 448 D HN 0.345 nan 8.370 nan 0.000 0.433 449 K N 1.343 121.744 120.400 0.001 0.000 3.156 449 K HA 0.051 4.371 4.320 -0.000 0.000 0.276 449 K C -0.228 176.366 176.600 -0.010 0.000 0.852 449 K CA -0.042 56.243 56.287 -0.004 0.000 1.083 449 K CB -0.397 32.102 32.500 -0.003 0.000 1.018 449 K HN 0.115 nan 8.250 nan 0.000 0.444 450 N N 2.708 121.400 118.700 -0.012 0.000 2.420 450 N HA 0.037 4.777 4.740 -0.000 0.000 0.262 450 N C -0.670 174.831 175.510 -0.015 0.000 1.144 450 N CA 0.338 53.376 53.050 -0.020 0.000 0.952 450 N CB 1.129 39.601 38.487 -0.025 0.000 1.081 450 N HN 0.240 nan 8.380 nan 0.000 0.480 451 E N 1.769 121.960 120.200 -0.014 0.000 2.336 451 E HA 0.808 5.158 4.350 -0.000 0.000 0.267 451 E C -0.404 176.195 176.600 -0.002 0.000 0.906 451 E CA -0.794 55.602 56.400 -0.006 0.000 0.781 451 E CB 1.892 31.590 29.700 -0.002 0.000 1.261 451 E HN 0.479 nan 8.360 nan 0.000 0.436 452 I N -2.981 117.594 120.570 0.008 0.000 2.161 452 I HA 0.333 4.503 4.170 -0.000 0.000 0.317 452 I C -1.604 174.528 176.117 0.025 0.000 2.543 452 I CA -1.124 60.187 61.300 0.017 0.000 0.934 452 I CB 0.762 38.768 38.000 0.010 0.000 1.871 452 I HN 0.342 nan 8.210 nan 0.000 0.688 453 R N 2.469 122.990 120.500 0.036 0.000 2.216 453 R HA 0.678 5.018 4.340 -0.000 0.000 0.332 453 R C -0.946 175.376 176.300 0.037 0.000 1.056 453 R CA -0.665 55.461 56.100 0.044 0.000 0.901 453 R CB 0.498 30.837 30.300 0.064 0.000 1.039 453 R HN 0.799 nan 8.270 nan 0.000 0.456 454 V N 3.662 123.597 119.914 0.034 0.000 2.420 454 V HA 0.528 4.648 4.120 -0.000 0.000 0.274 454 V C 1.041 177.160 176.094 0.043 0.000 1.003 454 V CA 0.390 62.708 62.300 0.029 0.000 1.092 454 V CB -0.809 31.029 31.823 0.025 0.000 1.002 454 V HN 0.997 nan 8.190 nan 0.000 0.473 455 G N 3.917 112.735 108.800 0.031 0.000 2.525 455 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.685 455 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.685 455 G C -0.410 174.501 174.900 0.018 0.000 1.290 455 G CA -0.364 44.756 45.100 0.033 0.000 0.915 455 G HN 1.363 nan 8.290 nan 0.000 0.548 456 N N 0.104 118.797 118.700 -0.012 0.000 2.229 456 N HA 0.286 5.026 4.740 -0.000 0.000 0.242 456 N C 0.464 175.948 175.510 -0.043 0.000 1.327 456 N CA 0.097 53.110 53.050 -0.062 0.000 0.896 456 N CB 0.253 38.661 38.487 -0.131 0.000 1.129 456 N HN 0.853 nan 8.380 nan 0.000 0.490 457 N N -0.862 117.780 118.700 -0.097 0.000 2.509 457 N HA 0.223 4.963 4.740 -0.000 0.000 0.287 457 N C -1.503 173.950 175.510 -0.095 0.000 1.121 457 N CA -0.248 52.779 53.050 -0.038 0.000 0.977 457 N CB 0.975 39.434 38.487 -0.047 0.000 1.167 457 N HN 0.438 nan 8.380 nan 0.000 0.476 458 F N -0.030 119.945 119.950 0.042 0.000 2.495 458 F HA 0.641 5.168 4.527 -0.000 0.000 0.327 458 F C 0.297 176.170 175.800 0.122 0.000 1.103 458 F CA -0.331 57.714 58.000 0.075 0.000 0.949 458 F CB 1.769 40.809 39.000 0.067 0.000 1.142 458 F HN 0.736 nan 8.300 nan 0.000 0.457 459 A N 4.125 127.193 122.820 0.415 0.000 2.525 459 A HA 0.854 5.174 4.320 -0.000 0.000 0.291 459 A C -1.115 176.683 177.584 0.357 0.000 1.268 459 A CA -0.886 51.365 52.037 0.356 0.000 0.712 459 A CB 1.463 20.675 19.000 0.353 0.000 1.320 459 A HN 0.545 nan 8.150 nan 0.000 0.456 460 M N 0.071 119.783 119.600 0.187 0.000 2.494 460 M HA 0.700 5.180 4.480 -0.000 0.000 0.300 460 M C -0.296 175.931 176.300 -0.122 0.000 1.189 460 M CA -0.295 55.037 55.300 0.053 0.000 0.982 460 M CB 0.860 33.461 32.600 0.001 0.000 1.534 460 M HN 0.835 nan 8.290 nan 0.000 0.488 461 E N 0.723 120.812 120.200 -0.185 0.000 2.369 461 E HA 0.852 5.202 4.350 -0.000 0.000 0.270 461 E C -1.904 174.600 176.600 -0.159 0.000 0.909 461 E CA -0.722 55.470 56.400 -0.348 0.000 0.775 461 E CB 2.581 32.021 29.700 -0.432 0.000 1.270 461 E HN 0.709 nan 8.360 nan 0.000 0.445 462 I N 1.828 122.303 120.570 -0.158 0.000 2.842 462 I HA 0.326 4.496 4.170 -0.000 0.000 0.296 462 I C -1.676 174.407 176.117 -0.056 0.000 1.538 462 I CA -0.722 60.540 61.300 -0.063 0.000 0.994 462 I CB 1.808 39.781 38.000 -0.045 0.000 1.372 462 I HN 0.548 nan 8.210 nan 0.000 0.478 463 N N 4.239 122.926 118.700 -0.022 0.000 2.524 463 N HA 0.410 5.150 4.740 -0.000 0.000 0.283 463 N C 0.367 175.875 175.510 -0.002 0.000 1.142 463 N CA -0.259 52.784 53.050 -0.011 0.000 0.984 463 N CB 1.629 40.117 38.487 0.001 0.000 1.155 463 N HN 0.583 nan 8.380 nan 0.000 0.467 464 L N 2.392 123.616 121.223 0.002 0.000 2.255 464 L HA 0.311 4.651 4.340 -0.000 0.000 0.196 464 L C 1.255 178.137 176.870 0.019 0.000 1.202 464 L CA 0.553 55.395 54.840 0.003 0.000 0.819 464 L CB -0.795 41.264 42.059 0.000 0.000 1.006 464 L HN 0.389 nan 8.230 nan 0.000 0.480 465 N N 0.539 119.255 118.700 0.026 0.000 2.567 465 N HA 0.084 4.824 4.740 -0.000 0.000 0.195 465 N C 1.291 176.918 175.510 0.194 0.000 1.242 465 N CA 0.490 53.565 53.050 0.042 0.000 0.884 465 N CB 0.069 38.536 38.487 -0.033 0.000 1.007 465 N HN 0.528 nan 8.380 nan 0.000 0.450 466 A N 0.369 123.301 122.820 0.187 0.000 1.920 466 A HA 0.006 4.326 4.320 -0.000 0.000 0.209 466 A C 1.969 179.643 177.584 0.150 0.000 1.229 466 A CA 0.569 52.769 52.037 0.272 0.000 0.671 466 A CB -0.193 18.888 19.000 0.135 0.000 0.886 466 A HN 0.199 nan 8.150 nan 0.000 0.461 467 N N 0.357 119.089 118.700 0.053 0.000 2.158 467 N HA -0.081 4.659 4.740 -0.000 0.000 0.190 467 N C 1.757 177.230 175.510 -0.061 0.000 1.060 467 N CA 1.177 54.215 53.050 -0.020 0.000 0.872 467 N CB -0.662 37.815 38.487 -0.016 0.000 1.055 467 N HN 0.253 nan 8.380 nan 0.000 0.452 468 L N 0.705 121.877 121.223 -0.086 0.000 2.402 468 L HA -0.268 4.072 4.340 -0.000 0.000 0.240 468 L C 0.979 177.602 176.870 -0.412 0.000 1.135 468 L CA 2.442 57.139 54.840 -0.238 0.000 0.830 468 L CB -1.287 40.652 42.059 -0.200 0.000 0.988 468 L HN 0.720 nan 8.230 nan 0.000 0.428 469 W N 2.289 123.308 121.300 -0.468 0.000 1.134 469 W HA 0.065 4.725 4.660 -0.000 0.000 0.530 469 W C 0.808 177.256 176.519 -0.120 0.000 0.570 469 W CA -0.145 56.991 57.345 -0.348 0.000 2.629 469 W CB -0.293 29.088 29.460 -0.131 0.000 0.988 469 W HN 0.380 nan 8.180 nan 0.000 0.238 470 R N 0.467 120.836 120.500 -0.218 0.000 2.880 470 R HA -0.070 4.270 4.340 -0.000 0.000 0.156 470 R C 1.450 177.760 176.300 0.016 0.000 0.884 470 R CA 0.014 56.005 56.100 -0.182 0.000 1.623 470 R CB -0.470 29.736 30.300 -0.158 0.000 1.687 470 R HN 0.159 nan 8.270 nan 0.000 0.538 471 N N 1.047 119.755 118.700 0.013 0.000 2.166 471 N HA -0.082 4.658 4.740 -0.000 0.000 0.186 471 N C 1.349 177.093 175.510 0.391 0.000 1.019 471 N CA 1.269 54.424 53.050 0.175 0.000 0.856 471 N CB -0.187 38.386 38.487 0.142 0.000 0.993 471 N HN 0.075 nan 8.380 nan 0.000 0.426 472 F N 0.612 120.627 119.950 0.108 0.000 2.367 472 F HA 0.163 4.690 4.527 -0.000 0.000 0.298 472 F C 1.951 177.775 175.800 0.040 0.000 1.094 472 F CA 0.053 58.118 58.000 0.108 0.000 1.409 472 F CB -0.878 38.236 39.000 0.190 0.000 1.064 472 F HN -0.035 nan 8.300 nan 0.000 0.528 473 L N -1.786 119.528 121.223 0.152 0.000 2.038 473 L HA -0.129 4.211 4.340 -0.000 0.000 0.205 473 L C 2.347 179.239 176.870 0.038 0.000 1.151 473 L CA 0.881 55.708 54.840 -0.021 0.000 0.799 473 L CB -1.250 40.661 42.059 -0.246 0.000 0.926 473 L HN -0.078 nan 8.230 nan 0.000 0.457 474 Y N 0.800 121.080 120.300 -0.032 0.000 2.070 474 Y HA -0.264 4.286 4.550 -0.000 0.000 0.279 474 Y C 2.763 178.714 175.900 0.086 0.000 1.134 474 Y CA 1.867 59.975 58.100 0.014 0.000 1.113 474 Y CB -0.147 38.316 38.460 0.005 0.000 0.981 474 Y HN 0.108 nan 8.280 nan 0.000 0.487 475 S N 0.518 116.456 115.700 0.397 0.000 2.592 475 S HA -0.187 4.283 4.470 -0.000 0.000 0.256 475 S C 0.713 175.515 174.600 0.337 0.000 0.974 475 S CA 1.259 59.672 58.200 0.355 0.000 0.963 475 S CB -0.732 62.644 63.200 0.294 0.000 0.750 475 S HN 0.525 nan 8.310 nan 0.000 0.538 476 N N -0.284 118.560 118.700 0.240 0.000 2.599 476 N HA 0.304 5.044 4.740 -0.000 0.000 0.147 476 N C 1.237 176.865 175.510 0.196 0.000 1.447 476 N CA -0.102 53.057 53.050 0.182 0.000 1.107 476 N CB -0.140 38.353 38.487 0.011 0.000 1.169 476 N HN 0.026 nan 8.380 nan 0.000 0.388 477 I N 0.979 121.541 120.570 -0.015 0.000 2.236 477 I HA -0.171 3.999 4.170 -0.000 0.000 0.249 477 I C 1.619 177.734 176.117 -0.004 0.000 1.102 477 I CA 1.498 62.789 61.300 -0.014 0.000 1.365 477 I CB -0.606 37.319 38.000 -0.126 0.000 1.051 477 I HN 0.233 nan 8.210 nan 0.000 0.420 478 A N -0.004 122.706 122.820 -0.184 0.000 2.302 478 A HA 0.296 4.616 4.320 -0.000 0.000 0.219 478 A C 2.019 179.459 177.584 -0.239 0.000 1.243 478 A CA 0.179 52.012 52.037 -0.341 0.000 0.856 478 A CB -0.470 18.045 19.000 -0.808 0.000 0.893 478 A HN 0.407 nan 8.150 nan 0.000 0.491 479 L N -1.444 119.768 121.223 -0.017 0.000 2.115 479 L HA 0.080 4.420 4.340 -0.000 0.000 0.200 479 L C 0.139 176.962 176.870 -0.077 0.000 1.094 479 L CA 0.644 55.482 54.840 -0.003 0.000 0.769 479 L CB -0.359 41.745 42.059 0.076 0.000 0.931 479 L HN 0.486 nan 8.230 nan 0.000 0.455 480 Y N 2.173 122.420 120.300 -0.088 0.000 2.504 480 Y HA 0.419 4.969 4.550 -0.000 0.000 0.351 480 Y C -0.042 175.815 175.900 -0.071 0.000 0.988 480 Y CA -1.042 56.991 58.100 -0.112 0.000 1.239 480 Y CB -0.145 38.157 38.460 -0.264 0.000 1.128 480 Y HN 0.029 nan 8.280 nan 0.000 0.525 481 L N 1.879 123.152 121.223 0.084 0.000 2.389 481 L HA 0.870 5.210 4.340 -0.000 0.000 0.249 481 L C -2.864 174.047 176.870 0.067 0.000 1.083 481 L CA -2.707 52.168 54.840 0.059 0.000 0.876 481 L CB 0.279 42.353 42.059 0.026 0.000 1.489 481 L HN 0.041 nan 8.230 nan 0.000 0.412 482 P HA 0.130 nan 4.420 nan 0.000 0.269 482 P C -0.680 176.662 177.300 0.070 0.000 1.215 482 P CA 0.082 63.227 63.100 0.075 0.000 0.780 482 P CB 1.055 32.804 31.700 0.082 0.000 0.898 483 D N 0.826 121.271 120.400 0.075 0.000 2.290 483 D HA -0.042 4.598 4.640 -0.000 0.000 0.224 483 D C 0.864 177.199 176.300 0.058 0.000 0.967 483 D CA 0.800 54.841 54.000 0.068 0.000 0.893 483 D CB 0.083 40.944 40.800 0.101 0.000 1.037 483 D HN 0.140 nan 8.370 nan 0.000 0.477 484 K N 1.481 121.923 120.400 0.069 0.000 3.156 484 K HA -0.033 4.287 4.320 -0.000 0.000 0.276 484 K C 1.022 177.658 176.600 0.061 0.000 0.852 484 K CA 0.094 56.419 56.287 0.063 0.000 1.083 484 K CB 0.011 32.550 32.500 0.065 0.000 1.018 484 K HN 0.330 nan 8.250 nan 0.000 0.444 485 L N -1.565 119.693 121.223 0.059 0.000 2.658 485 L HA 0.169 4.509 4.340 -0.000 0.000 0.201 485 L C -0.216 176.695 176.870 0.068 0.000 1.050 485 L CA 0.239 55.116 54.840 0.061 0.000 0.893 485 L CB -0.120 41.979 42.059 0.067 0.000 1.503 485 L HN -0.081 nan 8.230 nan 0.000 0.485 486 K N 1.444 121.884 120.400 0.067 0.000 2.397 486 K HA 0.142 4.462 4.320 -0.000 0.000 0.265 486 K C -0.825 175.839 176.600 0.107 0.000 0.982 486 K CA 0.123 56.468 56.287 0.098 0.000 0.931 486 K CB 0.154 32.674 32.500 0.033 0.000 0.943 486 K HN 0.356 nan 8.250 nan 0.000 0.501 487 Y N -2.113 118.145 120.300 -0.070 0.000 2.509 487 Y HA 0.379 4.929 4.550 -0.000 0.000 0.341 487 Y C -0.102 175.733 175.900 -0.109 0.000 1.038 487 Y CA -1.305 56.743 58.100 -0.086 0.000 1.089 487 Y CB 1.291 39.708 38.460 -0.071 0.000 1.241 487 Y HN 0.376 nan 8.280 nan 0.000 0.468 488 S N 5.663 121.168 115.700 -0.324 0.000 2.563 488 S HA 0.069 4.539 4.470 -0.000 0.000 0.294 488 S C -1.863 172.329 174.600 -0.680 0.000 1.279 488 S CA -0.851 57.103 58.200 -0.410 0.000 1.069 488 S CB 0.101 63.170 63.200 -0.218 0.000 0.828 488 S HN 0.601 nan 8.310 nan 0.000 0.497 489 P HA 0.085 nan 4.420 nan 0.000 0.291 489 P C -0.542 176.595 177.300 -0.272 0.000 1.287 489 P CA -0.442 62.352 63.100 -0.509 0.000 0.767 489 P CB 0.354 31.859 31.700 -0.325 0.000 1.290 490 S N 1.172 116.772 115.700 -0.166 0.000 2.411 490 S HA 0.130 4.600 4.470 -0.000 0.000 0.304 490 S C 0.589 175.092 174.600 -0.161 0.000 1.098 490 S CA -0.146 57.993 58.200 -0.102 0.000 1.068 490 S CB -1.541 61.630 63.200 -0.048 0.000 1.032 490 S HN 0.427 nan 8.310 nan 0.000 0.511 491 N N 0.769 119.391 118.700 -0.129 0.000 2.936 491 N HA -0.145 4.595 4.740 -0.000 0.000 0.236 491 N C -0.167 175.267 175.510 -0.127 0.000 0.930 491 N CA 0.863 53.838 53.050 -0.124 0.000 0.966 491 N CB -1.100 37.302 38.487 -0.141 0.000 1.090 491 N HN 0.438 nan 8.380 nan 0.000 0.592 492 V N 1.239 121.064 119.914 -0.147 0.000 2.071 492 V HA 0.116 4.236 4.120 -0.000 0.000 0.254 492 V C 0.876 176.898 176.094 -0.120 0.000 1.456 492 V CA 0.135 62.352 62.300 -0.139 0.000 1.383 492 V CB 0.437 32.164 31.823 -0.159 0.000 1.433 492 V HN 0.004 nan 8.190 nan 0.000 0.499 493 K N 2.950 123.295 120.400 -0.092 0.000 2.257 493 K HA 0.513 4.833 4.320 -0.000 0.000 0.270 493 K C -0.303 176.267 176.600 -0.050 0.000 1.098 493 K CA -0.029 56.219 56.287 -0.065 0.000 0.943 493 K CB 1.385 33.855 32.500 -0.051 0.000 1.316 493 K HN 0.460 nan 8.250 nan 0.000 0.447 494 I N -0.244 120.300 120.570 -0.043 0.000 4.936 494 I HA 0.107 4.277 4.170 -0.000 0.000 0.163 494 I C 0.372 176.482 176.117 -0.010 0.000 0.947 494 I CA -0.278 60.999 61.300 -0.038 0.000 1.916 494 I CB 0.667 38.629 38.000 -0.063 0.000 1.268 494 I HN 0.252 nan 8.210 nan 0.000 0.429 495 S N 1.609 117.302 115.700 -0.012 0.000 2.485 495 S HA 0.142 4.612 4.470 -0.000 0.000 0.312 495 S C -0.747 173.866 174.600 0.022 0.000 1.102 495 S CA -0.577 57.620 58.200 -0.006 0.000 1.066 495 S CB -0.912 62.271 63.200 -0.029 0.000 1.102 495 S HN 0.258 nan 8.310 nan 0.000 0.519 496 D N 4.166 124.590 120.400 0.039 0.000 2.520 496 D HA 0.165 4.805 4.640 -0.000 0.000 0.243 496 D C 0.010 176.192 176.300 -0.197 0.000 1.160 496 D CA 1.416 55.426 54.000 0.016 0.000 0.877 496 D CB 0.016 40.835 40.800 0.032 0.000 1.150 496 D HN 0.582 nan 8.370 nan 0.000 0.494 497 N N 3.131 121.532 118.700 -0.498 0.000 5.698 497 N HA -0.021 4.719 4.740 -0.000 0.000 0.140 497 N C -2.446 172.766 175.510 -0.498 0.000 1.032 497 N CA -0.684 52.106 53.050 -0.433 0.000 1.114 497 N CB 1.255 39.639 38.487 -0.172 0.000 1.506 497 N HN -0.003 nan 8.380 nan 0.000 1.091 498 P HA -0.112 nan 4.420 nan 0.000 0.205 498 P C 0.480 177.796 177.300 0.028 0.000 1.181 498 P CA 1.098 64.116 63.100 -0.136 0.000 0.933 498 P CB 0.115 31.790 31.700 -0.041 0.000 0.775 499 N N -0.193 118.515 118.700 0.014 0.000 3.058 499 N HA -0.044 4.696 4.740 -0.000 0.000 0.317 499 N C 0.792 176.329 175.510 0.044 0.000 1.266 499 N CA 0.638 53.718 53.050 0.049 0.000 1.145 499 N CB -1.073 37.430 38.487 0.026 0.000 1.426 499 N HN 0.160 nan 8.380 nan 0.000 0.561 500 T N -1.328 113.258 114.554 0.053 0.000 3.040 500 T HA -0.008 4.342 4.350 -0.000 0.000 0.266 500 T C 0.597 175.353 174.700 0.094 0.000 1.005 500 T CA -0.144 61.979 62.100 0.038 0.000 0.906 500 T CB -0.125 68.731 68.868 -0.020 0.000 1.082 500 T HN 0.433 nan 8.240 nan 0.000 0.531 501 Y N 1.245 121.557 120.300 0.020 0.000 3.035 501 Y HA -0.309 4.241 4.550 -0.000 0.000 0.474 501 Y C 0.453 176.367 175.900 0.022 0.000 1.222 501 Y CA 1.918 60.024 58.100 0.010 0.000 2.575 501 Y CB -1.603 36.843 38.460 -0.024 0.000 0.874 501 Y HN 0.382 nan 8.280 nan 0.000 0.516 502 D N -0.469 119.686 120.400 -0.408 0.000 2.363 502 D HA -0.042 4.598 4.640 -0.000 0.000 0.226 502 D C 0.928 177.169 176.300 -0.099 0.000 1.020 502 D CA 1.173 54.915 54.000 -0.430 0.000 0.892 502 D CB -0.182 40.391 40.800 -0.378 0.000 0.900 502 D HN 0.619 nan 8.370 nan 0.000 0.531 503 Y N 0.269 120.491 120.300 -0.129 0.000 2.660 503 Y HA 0.174 4.724 4.550 -0.000 0.000 0.254 503 Y C 1.412 177.290 175.900 -0.036 0.000 1.176 503 Y CA -0.128 57.927 58.100 -0.075 0.000 1.195 503 Y CB 0.241 38.672 38.460 -0.048 0.000 1.190 503 Y HN -0.206 nan 8.280 nan 0.000 0.535 504 M N -1.150 118.506 119.600 0.094 0.000 3.125 504 M HA 0.121 4.601 4.480 -0.000 0.000 0.207 504 M C 1.724 178.054 176.300 0.051 0.000 1.574 504 M CA 0.928 56.289 55.300 0.102 0.000 1.430 504 M CB -0.824 31.885 32.600 0.182 0.000 0.998 504 M HN 0.247 nan 8.290 nan 0.000 0.574 505 N N 1.224 119.983 118.700 0.098 0.000 2.171 505 N HA -0.108 4.632 4.740 -0.000 0.000 0.184 505 N C 1.248 176.781 175.510 0.038 0.000 1.021 505 N CA 1.174 54.273 53.050 0.081 0.000 0.854 505 N CB -0.014 38.571 38.487 0.164 0.000 0.994 505 N HN 0.124 nan 8.380 nan 0.000 0.426 506 K N 0.263 120.658 120.400 -0.009 0.000 2.616 506 K HA 0.007 4.327 4.320 -0.000 0.000 0.192 506 K C 0.576 177.088 176.600 -0.146 0.000 1.031 506 K CA 0.278 56.531 56.287 -0.058 0.000 1.004 506 K CB 0.044 32.482 32.500 -0.102 0.000 0.810 506 K HN 0.330 nan 8.250 nan 0.000 0.497 507 R N 1.391 121.798 120.500 -0.154 0.000 2.466 507 R HA 0.107 4.447 4.340 -0.000 0.000 0.279 507 R C -0.207 175.947 176.300 -0.242 0.000 0.976 507 R CA -0.237 55.712 56.100 -0.252 0.000 1.081 507 R CB -0.064 30.097 30.300 -0.233 0.000 1.215 507 R HN -0.082 nan 8.270 nan 0.000 0.546 508 V N 1.012 120.834 119.914 -0.153 0.000 3.065 508 V HA -0.247 3.873 4.120 -0.000 0.000 0.240 508 V C 1.475 177.613 176.094 0.073 0.000 1.907 508 V CA 1.143 63.421 62.300 -0.036 0.000 1.722 508 V CB 0.020 31.824 31.823 -0.032 0.000 0.892 508 V HN 0.192 nan 8.190 nan 0.000 0.502 509 V N 3.345 123.398 119.914 0.232 0.000 3.001 509 V HA 0.844 4.964 4.120 -0.000 0.000 0.228 509 V C 0.628 176.877 176.094 0.258 0.000 1.204 509 V CA 1.342 63.841 62.300 0.331 0.000 1.247 509 V CB 1.131 33.062 31.823 0.179 0.000 1.093 509 V HN 1.801 nan 8.190 nan 0.000 0.504 510 A N -0.288 122.659 122.820 0.212 0.000 2.566 510 A HA 0.749 5.069 4.320 -0.000 0.000 0.290 510 A C -2.740 174.959 177.584 0.191 0.000 1.071 510 A CA 0.015 52.134 52.037 0.137 0.000 0.658 510 A CB 0.371 19.401 19.000 0.050 0.000 1.285 510 A HN 0.176 nan 8.150 nan 0.000 0.427 511 P HA 0.165 nan 4.420 nan 0.000 0.226 511 P C 0.887 178.244 177.300 0.095 0.000 1.160 511 P CA 1.397 64.518 63.100 0.036 0.000 0.837 511 P CB 0.373 32.085 31.700 0.019 0.000 0.860 512 G N 0.176 109.034 108.800 0.095 0.000 4.420 512 G HA2 0.372 4.332 3.960 -0.000 0.000 0.299 512 G HA3 0.372 4.332 3.960 -0.000 0.000 0.299 512 G C 0.620 175.541 174.900 0.035 0.000 1.343 512 G CA -0.142 44.999 45.100 0.069 0.000 1.272 512 G HN 0.103 nan 8.290 nan 0.000 0.610 513 L N -0.392 120.880 121.223 0.081 0.000 2.349 513 L HA 0.206 4.546 4.340 -0.000 0.000 0.200 513 L C 0.642 177.486 176.870 -0.044 0.000 1.064 513 L CA 0.452 55.295 54.840 0.005 0.000 0.821 513 L CB 0.318 42.386 42.059 0.015 0.000 1.027 513 L HN 0.017 nan 8.230 nan 0.000 0.476 514 V N 1.170 121.089 119.914 0.008 0.000 2.304 514 V HA 0.224 4.344 4.120 -0.000 0.000 0.269 514 V C -1.084 174.950 176.094 -0.101 0.000 1.036 514 V CA -0.295 61.965 62.300 -0.068 0.000 0.840 514 V CB 0.963 32.744 31.823 -0.071 0.000 1.036 514 V HN 0.105 nan 8.190 nan 0.000 0.466 515 D N 2.521 122.776 120.400 -0.241 0.000 2.340 515 D HA 0.468 5.108 4.640 -0.000 0.000 0.240 515 D C -0.286 175.710 176.300 -0.508 0.000 1.001 515 D CA -0.339 53.452 54.000 -0.348 0.000 0.888 515 D CB 1.743 42.275 40.800 -0.447 0.000 1.310 515 D HN 0.574 nan 8.370 nan 0.000 0.474 516 C N 3.926 122.966 119.300 -0.434 0.000 2.262 516 C HA 0.472 4.932 4.460 -0.000 0.000 0.413 516 C C 0.300 175.431 174.990 0.236 0.000 1.019 516 C CA -0.512 58.233 59.018 -0.454 0.000 1.320 516 C CB -2.358 25.089 27.740 -0.488 0.000 1.657 516 C HN 0.794 nan 8.230 nan 0.000 0.510 517 Y N -0.687 119.733 120.300 0.200 0.000 2.924 517 Y HA 0.007 4.557 4.550 -0.000 0.000 0.355 517 Y C 0.047 176.045 175.900 0.163 0.000 0.958 517 Y CA -0.669 57.569 58.100 0.230 0.000 0.936 517 Y CB -1.563 36.992 38.460 0.158 0.000 1.290 517 Y HN 0.230 nan 8.280 nan 0.000 0.509 518 I N 5.060 125.231 120.570 -0.664 0.000 3.446 518 I HA -0.030 4.140 4.170 -0.000 0.000 0.294 518 I C 0.097 176.213 176.117 -0.001 0.000 1.185 518 I CA 1.798 62.893 61.300 -0.342 0.000 1.617 518 I CB -1.957 35.761 38.000 -0.471 0.000 1.576 518 I HN 0.743 nan 8.210 nan 0.000 0.741 519 N N 4.073 122.843 118.700 0.116 0.000 3.053 519 N HA -0.177 4.563 4.740 -0.000 0.000 0.252 519 N C -0.591 175.011 175.510 0.153 0.000 1.092 519 N CA 0.191 53.301 53.050 0.100 0.000 0.668 519 N CB -1.117 37.424 38.487 0.089 0.000 1.009 519 N HN 0.550 nan 8.380 nan 0.000 0.572 520 L N 0.578 121.907 121.223 0.175 0.000 2.397 520 L HA 0.598 4.938 4.340 -0.000 0.000 0.263 520 L C 1.159 178.103 176.870 0.124 0.000 1.136 520 L CA 0.595 55.544 54.840 0.181 0.000 1.019 520 L CB 0.200 42.386 42.059 0.212 0.000 1.352 520 L HN 0.570 nan 8.230 nan 0.000 0.420 521 G N 1.968 110.840 108.800 0.120 0.000 4.541 521 G HA2 0.324 4.284 3.960 -0.000 0.000 0.221 521 G HA3 0.324 4.284 3.960 -0.000 0.000 0.221 521 G C -0.385 174.583 174.900 0.112 0.000 0.774 521 G CA 0.181 45.337 45.100 0.093 0.000 1.044 521 G HN 0.743 nan 8.290 nan 0.000 0.768 522 A N -0.285 122.626 122.820 0.152 0.000 2.594 522 A HA 0.827 5.147 4.320 -0.000 0.000 0.295 522 A C 0.036 177.757 177.584 0.228 0.000 1.071 522 A CA -0.595 51.570 52.037 0.213 0.000 0.685 522 A CB 1.137 20.300 19.000 0.273 0.000 1.285 522 A HN 0.108 nan 8.150 nan 0.000 0.405 523 R N 1.045 121.671 120.500 0.210 0.000 2.466 523 R HA 0.051 4.391 4.340 -0.000 0.000 0.279 523 R C -0.287 176.095 176.300 0.136 0.000 0.976 523 R CA -0.400 55.791 56.100 0.151 0.000 1.081 523 R CB 0.240 30.601 30.300 0.102 0.000 1.215 523 R HN 0.760 nan 8.270 nan 0.000 0.546 524 W N 1.497 122.803 121.300 0.011 0.000 2.703 524 W HA -0.108 4.552 4.660 -0.000 0.000 0.356 524 W C 0.678 177.185 176.519 -0.020 0.000 1.361 524 W CA 0.935 58.274 57.345 -0.010 0.000 1.322 524 W CB 0.465 29.933 29.460 0.012 0.000 1.402 524 W HN 0.076 nan 8.180 nan 0.000 0.579 525 S N 4.643 120.181 115.700 -0.270 0.000 2.558 525 S HA 0.107 4.577 4.470 -0.000 0.000 0.217 525 S C 0.443 174.915 174.600 -0.215 0.000 0.975 525 S CA 0.431 58.515 58.200 -0.193 0.000 0.912 525 S CB -0.130 62.937 63.200 -0.223 0.000 0.776 525 S HN 0.565 nan 8.310 nan 0.000 0.526 526 L N 0.914 121.827 121.223 -0.517 0.000 1.226 526 L HA -0.104 4.236 4.340 -0.000 0.000 0.354 526 L C -1.128 175.577 176.870 -0.275 0.000 0.952 526 L CA 1.048 55.730 54.840 -0.263 0.000 1.219 526 L CB -0.536 41.590 42.059 0.112 0.000 0.389 526 L HN 0.307 nan 8.230 nan 0.000 0.187 527 D N -1.281 119.191 120.400 0.120 0.000 2.563 527 D HA 0.235 4.875 4.640 -0.000 0.000 0.237 527 D C 0.610 176.941 176.300 0.051 0.000 1.282 527 D CA 0.362 54.403 54.000 0.068 0.000 0.816 527 D CB 0.113 40.990 40.800 0.129 0.000 1.066 527 D HN 0.578 nan 8.370 nan 0.000 0.501 528 Y N -0.304 120.016 120.300 0.034 0.000 2.731 528 Y HA 0.282 4.832 4.550 -0.000 0.000 0.269 528 Y C 1.734 177.651 175.900 0.028 0.000 1.156 528 Y CA -0.127 57.999 58.100 0.043 0.000 1.191 528 Y CB 0.308 38.801 38.460 0.054 0.000 1.382 528 Y HN -0.080 nan 8.280 nan 0.000 0.477 529 M N 0.335 120.035 119.600 0.167 0.000 2.453 529 M HA 0.159 4.639 4.480 -0.000 0.000 0.239 529 M C 0.690 177.000 176.300 0.017 0.000 1.151 529 M CA 0.689 56.031 55.300 0.070 0.000 0.989 529 M CB 0.155 32.773 32.600 0.031 0.000 1.548 529 M HN 0.104 nan 8.290 nan 0.000 0.479 530 D N -0.774 119.644 120.400 0.030 0.000 2.407 530 D HA 0.073 4.713 4.640 -0.000 0.000 0.208 530 D C 0.138 176.521 176.300 0.137 0.000 1.083 530 D CA 0.389 54.391 54.000 0.004 0.000 0.844 530 D CB 0.240 40.979 40.800 -0.102 0.000 0.967 530 D HN 0.224 nan 8.370 nan 0.000 0.506 531 N N 0.244 119.014 118.700 0.116 0.000 2.327 531 N HA 0.123 4.863 4.740 -0.000 0.000 0.231 531 N C -0.622 174.995 175.510 0.178 0.000 1.130 531 N CA 0.114 53.240 53.050 0.127 0.000 0.845 531 N CB 1.247 39.755 38.487 0.034 0.000 1.073 531 N HN 0.043 nan 8.380 nan 0.000 0.496 532 V N -0.327 119.716 119.914 0.215 0.000 3.181 532 V HA 0.274 4.394 4.120 -0.000 0.000 0.308 532 V C -0.163 175.832 176.094 -0.165 0.000 1.214 532 V CA -1.267 61.104 62.300 0.118 0.000 1.053 532 V CB 2.235 34.080 31.823 0.037 0.000 1.069 532 V HN -0.038 nan 8.190 nan 0.000 0.441 533 N N 2.112 120.636 118.700 -0.293 0.000 2.442 533 N HA 0.338 5.078 4.740 -0.000 0.000 0.265 533 N C -2.099 173.011 175.510 -0.666 0.000 1.138 533 N CA -1.056 51.565 53.050 -0.715 0.000 0.956 533 N CB 1.309 39.638 38.487 -0.263 0.000 1.067 533 N HN 0.411 nan 8.380 nan 0.000 0.474 534 P HA 0.175 nan 4.420 nan 0.000 0.262 534 P C -0.575 176.142 177.300 -0.971 0.000 1.304 534 P CA 0.348 62.886 63.100 -0.936 0.000 0.859 534 P CB 0.252 31.350 31.700 -1.004 0.000 1.310 535 F N -1.735 118.107 119.950 -0.180 0.000 2.729 535 F HA 0.315 4.842 4.527 -0.000 0.000 0.315 535 F C 0.645 176.346 175.800 -0.165 0.000 1.102 535 F CA -0.701 57.235 58.000 -0.107 0.000 1.204 535 F CB -0.837 38.132 39.000 -0.052 0.000 1.052 535 F HN -0.228 nan 8.300 nan 0.000 0.551 536 N N 0.754 119.316 118.700 -0.229 0.000 3.091 536 N HA 0.083 4.823 4.740 -0.000 0.000 0.301 536 N C -0.159 174.811 175.510 -0.899 0.000 1.325 536 N CA 0.315 53.115 53.050 -0.416 0.000 1.143 536 N CB -0.315 37.909 38.487 -0.438 0.000 1.450 536 N HN 0.243 nan 8.380 nan 0.000 0.542 537 H N -1.545 117.202 119.070 -0.538 0.000 3.161 537 H HA 0.268 4.824 4.556 -0.000 0.000 0.285 537 H C 0.585 175.622 175.328 -0.484 0.000 1.588 537 H CA -0.473 55.133 56.048 -0.737 0.000 1.218 537 H CB 1.092 30.415 29.762 -0.731 0.000 1.841 537 H HN 0.183 nan 8.280 nan 0.000 0.623 538 H N 0.324 119.235 119.070 -0.266 0.000 2.300 538 H HA 0.153 4.709 4.556 -0.000 0.000 0.322 538 H C 0.655 175.834 175.328 -0.249 0.000 1.088 538 H CA 0.020 55.739 56.048 -0.549 0.000 1.532 538 H CB -0.030 29.343 29.762 -0.648 0.000 1.488 538 H HN 0.069 nan 8.280 nan 0.000 0.607 539 R N 2.693 123.163 120.500 -0.049 0.000 2.842 539 R HA -0.042 4.298 4.340 -0.000 0.000 0.260 539 R C -0.097 176.212 176.300 0.015 0.000 1.495 539 R CA 0.131 56.211 56.100 -0.033 0.000 1.024 539 R CB -0.896 29.364 30.300 -0.067 0.000 1.147 539 R HN 0.449 nan 8.270 nan 0.000 0.553 540 N N 1.408 120.133 118.700 0.042 0.000 2.703 540 N HA 0.052 4.792 4.740 -0.000 0.000 0.283 540 N C 0.500 176.068 175.510 0.098 0.000 1.851 540 N CA 0.528 53.640 53.050 0.104 0.000 0.826 540 N CB 0.640 39.178 38.487 0.085 0.000 1.239 540 N HN 0.462 nan 8.380 nan 0.000 0.495 541 A N 1.228 124.111 122.820 0.106 0.000 5.081 541 A HA -0.365 3.955 4.320 -0.000 0.000 0.368 541 A C 1.768 179.443 177.584 0.152 0.000 1.534 541 A CA 2.449 54.565 52.037 0.132 0.000 0.697 541 A CB -1.998 17.073 19.000 0.118 0.000 1.537 541 A HN 0.560 nan 8.150 nan 0.000 0.423 542 G N -1.564 107.316 108.800 0.133 0.000 2.443 542 G HA2 0.119 4.079 3.960 -0.000 0.000 0.219 542 G HA3 0.119 4.079 3.960 -0.000 0.000 0.219 542 G C 1.524 176.496 174.900 0.120 0.000 1.131 542 G CA 1.363 46.539 45.100 0.127 0.000 0.775 542 G HN 1.187 nan 8.290 nan 0.000 0.547 543 L N 0.331 121.610 121.223 0.093 0.000 2.270 543 L HA 0.266 4.606 4.340 -0.000 0.000 0.210 543 L C 2.582 179.517 176.870 0.109 0.000 1.104 543 L CA 0.773 55.666 54.840 0.087 0.000 0.804 543 L CB -0.023 42.070 42.059 0.057 0.000 0.937 543 L HN 0.263 nan 8.230 nan 0.000 0.450 544 R N -1.728 118.830 120.500 0.096 0.000 2.328 544 R HA -0.151 4.189 4.340 -0.000 0.000 0.200 544 R C 0.948 177.310 176.300 0.104 0.000 0.983 544 R CA 0.863 57.002 56.100 0.066 0.000 1.062 544 R CB -0.031 30.284 30.300 0.025 0.000 0.956 544 R HN 0.453 nan 8.270 nan 0.000 0.479 545 Y N -0.625 119.679 120.300 0.007 0.000 2.515 545 Y HA 0.381 4.931 4.550 -0.000 0.000 0.267 545 Y C 1.059 176.974 175.900 0.026 0.000 1.058 545 Y CA -0.731 57.368 58.100 -0.002 0.000 1.231 545 Y CB 0.514 38.961 38.460 -0.022 0.000 1.350 545 Y HN -0.051 nan 8.280 nan 0.000 0.554 546 R N -0.955 119.686 120.500 0.234 0.000 2.206 546 R HA 0.041 4.381 4.340 -0.000 0.000 0.198 546 R C 2.232 178.616 176.300 0.140 0.000 0.986 546 R CA 0.859 57.048 56.100 0.148 0.000 1.029 546 R CB 0.184 30.540 30.300 0.093 0.000 0.966 546 R HN 0.117 nan 8.270 nan 0.000 0.487 547 S N 1.158 116.953 115.700 0.158 0.000 2.502 547 S HA -0.232 4.238 4.470 -0.000 0.000 0.219 547 S C 1.524 176.215 174.600 0.152 0.000 1.064 547 S CA 1.948 60.253 58.200 0.174 0.000 1.173 547 S CB -0.144 63.210 63.200 0.257 0.000 1.118 547 S HN 0.102 nan 8.310 nan 0.000 0.406 548 M N 3.418 123.114 119.600 0.160 0.000 6.857 548 M HA -0.215 4.265 4.480 -0.000 0.000 0.357 548 M C 1.849 178.212 176.300 0.105 0.000 0.914 548 M CA 2.139 57.517 55.300 0.130 0.000 1.038 548 M CB -2.163 30.486 32.600 0.082 0.000 1.117 548 M HN 0.536 nan 8.290 nan 0.000 1.010 549 L N -0.643 120.636 121.223 0.093 0.000 2.801 549 L HA -0.137 4.203 4.340 -0.000 0.000 0.241 549 L C 1.281 178.184 176.870 0.055 0.000 1.198 549 L CA 1.176 56.061 54.840 0.075 0.000 0.830 549 L CB -0.962 41.151 42.059 0.089 0.000 0.976 549 L HN 0.519 nan 8.230 nan 0.000 0.461 550 L N 1.377 122.633 121.223 0.055 0.000 2.660 550 L HA 0.256 4.596 4.340 -0.000 0.000 0.238 550 L C 1.326 178.205 176.870 0.016 0.000 1.161 550 L CA 1.105 55.957 54.840 0.021 0.000 0.937 550 L CB -1.360 40.713 42.059 0.024 0.000 1.122 550 L HN 0.715 nan 8.230 nan 0.000 0.435 551 G N 1.338 110.162 108.800 0.040 0.000 2.615 551 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.218 551 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.218 551 G C -0.210 174.729 174.900 0.065 0.000 1.339 551 G CA -0.062 45.066 45.100 0.047 0.000 0.884 551 G HN 0.482 nan 8.290 nan 0.000 0.559 552 N N -0.222 118.521 118.700 0.072 0.000 3.211 552 N HA 0.512 5.252 4.740 -0.000 0.000 0.183 552 N C 0.144 175.722 175.510 0.113 0.000 1.447 552 N CA 0.596 53.707 53.050 0.102 0.000 0.840 552 N CB 0.615 39.208 38.487 0.177 0.000 1.611 552 N HN 1.983 nan 8.380 nan 0.000 0.610 553 G N 0.574 109.439 108.800 0.109 0.000 2.899 553 G HA2 0.416 4.376 3.960 -0.000 0.000 0.137 553 G HA3 0.416 4.376 3.960 -0.000 0.000 0.137 553 G C -0.181 174.865 174.900 0.242 0.000 1.198 553 G CA -0.124 45.077 45.100 0.169 0.000 1.126 553 G HN 0.334 nan 8.290 nan 0.000 0.589 554 R N -2.194 118.421 120.500 0.192 0.000 2.834 554 R HA 0.181 4.521 4.340 -0.000 0.000 0.129 554 R C -0.857 175.460 176.300 0.029 0.000 0.870 554 R CA -0.104 56.085 56.100 0.148 0.000 1.989 554 R CB 0.229 30.651 30.300 0.204 0.000 1.647 554 R HN 0.345 nan 8.270 nan 0.000 0.512 555 Y N 2.683 123.022 120.300 0.065 0.000 2.404 555 Y HA 0.411 4.961 4.550 -0.000 0.000 0.344 555 Y C -0.269 175.653 175.900 0.036 0.000 0.970 555 Y CA -0.300 57.824 58.100 0.041 0.000 1.180 555 Y CB 1.701 40.184 38.460 0.039 0.000 1.138 555 Y HN -0.002 nan 8.280 nan 0.000 0.510 556 V N 2.448 122.464 119.914 0.171 0.000 3.120 556 V HA 0.758 4.878 4.120 -0.000 0.000 0.303 556 V C -3.223 172.940 176.094 0.115 0.000 1.238 556 V CA -2.588 59.788 62.300 0.126 0.000 1.008 556 V CB 2.462 34.345 31.823 0.100 0.000 1.064 556 V HN 0.443 nan 8.190 nan 0.000 0.434 557 P HA 0.678 nan 4.420 nan 0.000 0.307 557 P C -1.382 175.994 177.300 0.127 0.000 1.417 557 P CA -0.348 62.777 63.100 0.043 0.000 0.973 557 P CB 1.495 33.206 31.700 0.019 0.000 1.048 558 F N 0.408 120.379 119.950 0.034 0.000 2.618 558 F HA 0.767 5.294 4.527 -0.000 0.000 0.332 558 F C -0.304 175.566 175.800 0.117 0.000 1.061 558 F CA -0.976 57.053 58.000 0.049 0.000 0.974 558 F CB 1.795 40.797 39.000 0.002 0.000 1.310 558 F HN 0.480 nan 8.300 nan 0.000 0.491 559 H N 2.667 121.925 119.070 0.314 0.000 3.006 559 H HA 0.375 4.931 4.556 -0.000 0.000 0.304 559 H C -1.765 173.639 175.328 0.127 0.000 1.403 559 H CA -0.465 55.691 56.048 0.180 0.000 1.615 559 H CB 0.184 29.991 29.762 0.076 0.000 1.935 559 H HN 0.735 nan 8.280 nan 0.000 0.626 560 I N 1.454 122.015 120.570 -0.015 0.000 3.223 560 I HA 0.242 4.412 4.170 -0.000 0.000 0.317 560 I C -0.113 175.917 176.117 -0.145 0.000 1.050 560 I CA -0.820 60.379 61.300 -0.169 0.000 1.069 560 I CB 1.625 39.529 38.000 -0.159 0.000 1.406 560 I HN 0.476 nan 8.210 nan 0.000 0.596 561 Q N 0.648 120.428 119.800 -0.034 0.000 2.397 561 Q HA 0.652 4.992 4.340 -0.000 0.000 0.275 561 Q C -1.606 174.360 176.000 -0.057 0.000 1.090 561 Q CA -0.424 55.215 55.803 -0.274 0.000 0.809 561 Q CB 2.791 31.361 28.738 -0.280 0.000 1.362 561 Q HN 0.337 nan 8.270 nan 0.000 0.431 562 V N 4.099 123.698 119.914 -0.525 0.000 2.663 562 V HA 0.371 4.491 4.120 -0.000 0.000 0.286 562 V C -2.566 173.227 176.094 -0.502 0.000 1.085 562 V CA -1.305 60.775 62.300 -0.368 0.000 0.916 562 V CB 1.839 33.411 31.823 -0.418 0.000 1.039 562 V HN 0.679 nan 8.190 nan 0.000 0.453 563 P HA 0.291 nan 4.420 nan 0.000 0.276 563 P C -0.902 176.125 177.300 -0.455 0.000 1.252 563 P CA -0.408 62.550 63.100 -0.237 0.000 0.802 563 P CB 0.628 32.364 31.700 0.060 0.000 1.035 564 Q N 1.060 120.643 119.800 -0.361 0.000 2.314 564 Q HA 0.127 4.467 4.340 -0.000 0.000 0.258 564 Q C -0.388 175.558 176.000 -0.090 0.000 0.954 564 Q CA -0.123 55.557 55.803 -0.205 0.000 0.890 564 Q CB 0.378 29.096 28.738 -0.033 0.000 1.210 564 Q HN 0.172 nan 8.270 nan 0.000 0.410 565 K N 4.053 124.422 120.400 -0.052 0.000 2.183 565 K HA 0.197 4.517 4.320 -0.000 0.000 0.272 565 K C -1.292 175.501 176.600 0.321 0.000 1.113 565 K CA -0.103 56.128 56.287 -0.093 0.000 0.949 565 K CB 0.194 32.582 32.500 -0.186 0.000 1.365 565 K HN 0.445 nan 8.250 nan 0.000 0.420 566 F N 1.056 121.097 119.950 0.152 0.000 2.953 566 F HA 0.333 4.860 4.527 -0.000 0.000 0.360 566 F C 0.415 176.450 175.800 0.391 0.000 1.249 566 F CA -1.417 56.746 58.000 0.272 0.000 1.063 566 F CB 0.798 39.869 39.000 0.118 0.000 1.500 566 F HN 0.288 nan 8.300 nan 0.000 0.517 567 F N -0.384 119.343 119.950 -0.372 0.000 2.729 567 F HA 0.632 5.159 4.527 -0.000 0.000 0.304 567 F C 0.983 176.672 175.800 -0.185 0.000 1.008 567 F CA 0.688 58.516 58.000 -0.286 0.000 1.188 567 F CB -0.245 38.498 39.000 -0.429 0.000 0.980 567 F HN 0.330 nan 8.300 nan 0.000 0.627 568 A N 2.718 125.159 122.820 -0.632 0.000 3.470 568 A HA 0.090 4.410 4.320 -0.000 0.000 0.174 568 A C 1.991 179.590 177.584 0.025 0.000 1.652 568 A CA 1.096 52.970 52.037 -0.272 0.000 0.777 568 A CB -1.312 17.494 19.000 -0.325 0.000 1.128 568 A HN 0.581 nan 8.150 nan 0.000 0.452 569 I N -0.274 120.350 120.570 0.090 0.000 2.267 569 I HA -0.379 3.791 4.170 -0.000 0.000 0.239 569 I C 1.146 177.305 176.117 0.069 0.000 0.984 569 I CA 2.215 63.549 61.300 0.057 0.000 1.272 569 I CB -1.659 36.400 38.000 0.099 0.000 0.976 569 I HN 0.514 nan 8.210 nan 0.000 0.407 570 K N 2.897 123.393 120.400 0.161 0.000 2.510 570 K HA -0.097 4.223 4.320 -0.000 0.000 0.272 570 K C 0.338 177.020 176.600 0.137 0.000 1.025 570 K CA 1.062 57.451 56.287 0.170 0.000 1.134 570 K CB -0.441 32.214 32.500 0.257 0.000 0.827 570 K HN 0.842 nan 8.250 nan 0.000 0.485 571 N N -0.012 118.768 118.700 0.133 0.000 3.988 571 N HA -0.316 4.424 4.740 -0.000 0.000 0.229 571 N C 0.473 176.039 175.510 0.092 0.000 0.276 571 N CA 1.096 54.243 53.050 0.162 0.000 2.813 571 N CB -0.950 37.697 38.487 0.265 0.000 1.426 571 N HN 0.464 nan 8.380 nan 0.000 0.322 572 L N 1.075 122.242 121.223 -0.093 0.000 5.275 572 L HA -0.237 4.103 4.340 -0.000 0.000 0.058 572 L C 0.716 177.512 176.870 -0.123 0.000 1.741 572 L CA 2.042 56.624 54.840 -0.430 0.000 2.032 572 L CB -0.850 40.924 42.059 -0.474 0.000 2.286 572 L HN 0.562 nan 8.230 nan 0.000 0.817 573 L N -2.785 118.363 121.223 -0.124 0.000 2.786 573 L HA 0.467 4.807 4.340 -0.000 0.000 0.259 573 L C -0.057 176.824 176.870 0.018 0.000 1.099 573 L CA -0.565 54.277 54.840 0.004 0.000 0.995 573 L CB 1.232 43.330 42.059 0.066 0.000 1.580 573 L HN 0.594 nan 8.230 nan 0.000 0.373 574 L N -0.652 120.615 121.223 0.074 0.000 2.931 574 L HA 0.857 5.197 4.340 -0.000 0.000 0.237 574 L C -1.849 175.122 176.870 0.167 0.000 1.986 574 L CA -0.739 54.175 54.840 0.122 0.000 2.186 574 L CB 2.086 44.213 42.059 0.114 0.000 2.326 574 L HN 0.475 nan 8.230 nan 0.000 0.575 575 L N 0.120 121.475 121.223 0.221 0.000 4.430 575 L HA 0.193 4.533 4.340 -0.000 0.000 0.247 575 L C -2.635 174.331 176.870 0.159 0.000 1.038 575 L CA -0.897 54.060 54.840 0.196 0.000 1.028 575 L CB 1.512 43.691 42.059 0.200 0.000 1.733 575 L HN 0.314 nan 8.230 nan 0.000 0.444 576 P HA 0.252 nan 4.420 nan 0.000 0.261 576 P C 0.143 177.373 177.300 -0.117 0.000 1.165 576 P CA 0.831 63.909 63.100 -0.036 0.000 0.759 576 P CB 0.543 32.246 31.700 0.005 0.000 0.772 577 G N 1.474 110.098 108.800 -0.294 0.000 2.356 577 G HA2 0.274 4.234 3.960 -0.000 0.000 0.266 577 G HA3 0.274 4.234 3.960 -0.000 0.000 0.266 577 G C -1.466 173.125 174.900 -0.514 0.000 1.312 577 G CA -0.509 44.397 45.100 -0.324 0.000 0.922 577 G HN 0.345 nan 8.290 nan 0.000 0.480 578 S N -0.183 115.279 115.700 -0.396 0.000 2.502 578 S HA 0.846 5.316 4.470 -0.000 0.000 0.304 578 S C -1.076 173.494 174.600 -0.050 0.000 1.097 578 S CA -0.418 57.610 58.200 -0.287 0.000 1.045 578 S CB 1.150 64.280 63.200 -0.117 0.000 1.019 578 S HN 0.501 nan 8.310 nan 0.000 0.481 579 Y N 0.337 120.578 120.300 -0.099 0.000 2.965 579 Y HA 0.733 5.283 4.550 -0.000 0.000 0.310 579 Y C 0.482 176.331 175.900 -0.085 0.000 1.480 579 Y CA -1.284 56.770 58.100 -0.076 0.000 1.094 579 Y CB 1.869 40.298 38.460 -0.052 0.000 1.377 579 Y HN 0.583 nan 8.280 nan 0.000 0.514 580 T N -1.788 112.852 114.554 0.143 0.000 2.661 580 T HA 0.415 4.765 4.350 -0.000 0.000 0.305 580 T C -2.057 172.744 174.700 0.170 0.000 1.441 580 T CA -0.957 61.193 62.100 0.083 0.000 0.999 580 T CB 1.924 70.796 68.868 0.006 0.000 1.650 580 T HN 0.617 nan 8.240 nan 0.000 0.489 581 Y N -0.007 120.272 120.300 -0.035 0.000 2.914 581 Y HA 0.599 5.149 4.550 -0.000 0.000 0.327 581 Y C -1.464 174.356 175.900 -0.134 0.000 1.440 581 Y CA -0.466 57.607 58.100 -0.045 0.000 1.086 581 Y CB 1.637 40.125 38.460 0.046 0.000 1.544 581 Y HN 0.820 nan 8.280 nan 0.000 0.442 582 E N 1.731 121.951 120.200 0.034 0.000 2.387 582 E HA -0.045 4.305 4.350 -0.000 0.000 0.220 582 E C -2.332 174.088 176.600 -0.299 0.000 1.177 582 E CA -0.094 56.174 56.400 -0.220 0.000 0.494 582 E CB -0.411 29.092 29.700 -0.328 0.000 0.958 582 E HN 0.560 nan 8.360 nan 0.000 0.421 583 W N 5.060 126.198 121.300 -0.271 0.000 2.361 583 W HA 0.394 5.054 4.660 -0.000 0.000 0.309 583 W C 0.150 176.060 176.519 -1.015 0.000 1.122 583 W CA -0.336 56.731 57.345 -0.464 0.000 1.208 583 W CB 0.676 29.999 29.460 -0.228 0.000 1.246 583 W HN 0.350 nan 8.180 nan 0.000 0.490 584 N N 4.227 122.420 118.700 -0.844 0.000 2.354 584 N HA 0.377 5.117 4.740 -0.000 0.000 0.246 584 N C -1.022 174.056 175.510 -0.719 0.000 1.285 584 N CA 0.269 52.940 53.050 -0.632 0.000 0.925 584 N CB 0.789 39.147 38.487 -0.215 0.000 1.174 584 N HN 0.186 nan 8.380 nan 0.000 0.478 585 F N -1.196 118.773 119.950 0.031 0.000 2.685 585 F HA 0.364 4.891 4.527 -0.000 0.000 0.315 585 F C -0.068 175.201 175.800 -0.884 0.000 1.126 585 F CA -1.368 56.499 58.000 -0.222 0.000 0.950 585 F CB 1.391 40.367 39.000 -0.041 0.000 1.360 585 F HN 0.039 nan 8.300 nan 0.000 0.469 586 R N 0.816 120.884 120.500 -0.720 0.000 2.347 586 R HA 0.246 4.586 4.340 -0.000 0.000 0.304 586 R C -0.158 175.960 176.300 -0.303 0.000 1.072 586 R CA -0.574 54.990 56.100 -0.893 0.000 0.980 586 R CB 0.829 30.872 30.300 -0.428 0.000 0.986 586 R HN 0.564 nan 8.270 nan 0.000 0.448 587 K N 1.619 121.927 120.400 -0.154 0.000 2.476 587 K HA -0.035 4.285 4.320 -0.000 0.000 0.196 587 K C -0.364 176.131 176.600 -0.175 0.000 1.025 587 K CA 0.143 56.432 56.287 0.002 0.000 1.138 587 K CB 0.202 32.807 32.500 0.176 0.000 0.860 587 K HN 0.590 nan 8.250 nan 0.000 0.515 588 D N -0.075 120.072 120.400 -0.422 0.000 2.414 588 D HA 0.010 4.650 4.640 -0.000 0.000 0.232 588 D C 0.843 177.036 176.300 -0.178 0.000 1.070 588 D CA -0.658 53.058 54.000 -0.472 0.000 0.839 588 D CB 1.607 41.847 40.800 -0.933 0.000 1.079 588 D HN -0.088 nan 8.370 nan 0.000 0.521 589 V N 1.627 121.486 119.914 -0.091 0.000 2.878 589 V HA -0.070 4.050 4.120 -0.000 0.000 0.250 589 V C 2.067 178.137 176.094 -0.040 0.000 1.075 589 V CA 0.755 63.017 62.300 -0.062 0.000 1.096 589 V CB -1.177 30.612 31.823 -0.056 0.000 0.724 589 V HN 0.546 nan 8.190 nan 0.000 0.467 590 N N 0.715 119.410 118.700 -0.007 0.000 2.476 590 N HA -0.234 4.506 4.740 -0.000 0.000 0.196 590 N C 1.283 176.817 175.510 0.041 0.000 1.024 590 N CA 2.390 55.454 53.050 0.022 0.000 0.909 590 N CB -0.278 38.254 38.487 0.075 0.000 0.947 590 N HN 0.670 nan 8.380 nan 0.000 0.450 591 M N -2.052 117.571 119.600 0.038 0.000 2.274 591 M HA 0.121 4.601 4.480 -0.000 0.000 0.214 591 M C 1.079 177.361 176.300 -0.029 0.000 1.526 591 M CA 0.164 55.497 55.300 0.055 0.000 1.043 591 M CB 0.334 33.023 32.600 0.148 0.000 1.505 591 M HN -0.007 nan 8.290 nan 0.000 0.561 592 V N 2.268 122.151 119.914 -0.050 0.000 3.215 592 V HA 0.066 4.186 4.120 -0.000 0.000 0.270 592 V C -0.424 175.560 176.094 -0.184 0.000 1.237 592 V CA 0.245 62.484 62.300 -0.102 0.000 1.257 592 V CB -2.624 29.144 31.823 -0.091 0.000 1.036 592 V HN 0.336 nan 8.190 nan 0.000 0.509 593 L N -4.355 116.741 121.223 -0.212 0.000 2.710 593 L HA 0.614 4.954 4.340 -0.000 0.000 0.260 593 L C -0.450 176.241 176.870 -0.299 0.000 0.993 593 L CA -0.761 53.894 54.840 -0.309 0.000 0.877 593 L CB 1.355 43.266 42.059 -0.248 0.000 1.461 593 L HN 0.011 nan 8.230 nan 0.000 0.413 594 Q N 0.431 120.007 119.800 -0.373 0.000 2.247 594 Q HA 0.793 5.133 4.340 -0.000 0.000 0.184 594 Q C -0.577 175.303 176.000 -0.200 0.000 1.067 594 Q CA -0.159 55.473 55.803 -0.285 0.000 1.115 594 Q CB 1.476 30.022 28.738 -0.320 0.000 1.147 594 Q HN 0.849 nan 8.270 nan 0.000 0.599 595 S N -2.282 113.334 115.700 -0.141 0.000 2.717 595 S HA -0.052 4.418 4.470 -0.000 0.000 0.274 595 S C 0.225 174.787 174.600 -0.064 0.000 0.760 595 S CA 0.040 58.189 58.200 -0.085 0.000 1.143 595 S CB -0.530 62.603 63.200 -0.112 0.000 1.427 595 S HN 0.642 nan 8.310 nan 0.000 0.478 596 S N 1.143 116.842 115.700 -0.002 0.000 2.447 596 S HA 0.051 4.521 4.470 -0.000 0.000 0.233 596 S C 1.440 176.004 174.600 -0.060 0.000 1.006 596 S CA 1.076 59.249 58.200 -0.045 0.000 0.957 596 S CB -0.116 63.047 63.200 -0.062 0.000 0.773 596 S HN 0.506 nan 8.310 nan 0.000 0.507 597 L N 0.057 121.234 121.223 -0.076 0.000 2.590 597 L HA 0.411 4.751 4.340 -0.000 0.000 0.181 597 L C 0.998 177.575 176.870 -0.489 0.000 1.134 597 L CA 0.451 55.191 54.840 -0.167 0.000 0.850 597 L CB -0.477 41.554 42.059 -0.046 0.000 1.172 597 L HN 0.451 nan 8.230 nan 0.000 0.498 598 G N 2.037 110.634 108.800 -0.338 0.000 2.815 598 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.234 598 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.234 598 G C -0.535 174.151 174.900 -0.357 0.000 0.971 598 G CA 0.357 45.230 45.100 -0.379 0.000 1.124 598 G HN 0.444 nan 8.290 nan 0.000 0.435 599 N N 0.849 119.445 118.700 -0.174 0.000 3.121 599 N HA 0.569 5.309 4.740 -0.000 0.000 0.324 599 N C -0.590 174.877 175.510 -0.071 0.000 1.372 599 N CA -0.576 52.417 53.050 -0.095 0.000 0.671 599 N CB 0.444 38.912 38.487 -0.031 0.000 1.310 599 N HN 0.236 nan 8.380 nan 0.000 0.494 600 D N -0.351 120.030 120.400 -0.031 0.000 2.274 600 D HA 0.449 5.089 4.640 -0.000 0.000 0.239 600 D C -0.948 175.351 176.300 -0.001 0.000 1.104 600 D CA -0.215 53.778 54.000 -0.013 0.000 0.840 600 D CB 0.384 41.186 40.800 0.003 0.000 1.100 600 D HN 0.416 nan 8.370 nan 0.000 0.477 601 L N 4.312 125.536 121.223 0.002 0.000 2.481 601 L HA 0.332 4.672 4.340 -0.000 0.000 0.263 601 L C 1.051 177.925 176.870 0.007 0.000 1.537 601 L CA -0.244 54.596 54.840 0.000 0.000 0.741 601 L CB 0.735 42.782 42.059 -0.020 0.000 0.974 601 L HN 0.196 nan 8.230 nan 0.000 0.519 602 R N -0.734 119.782 120.500 0.026 0.000 2.517 602 R HA 0.282 4.622 4.340 -0.000 0.000 0.265 602 R C 0.942 177.267 176.300 0.041 0.000 0.921 602 R CA 0.075 56.201 56.100 0.043 0.000 1.054 602 R CB 1.408 31.760 30.300 0.086 0.000 1.340 602 R HN 0.238 nan 8.270 nan 0.000 0.551 603 V N 0.860 120.791 119.914 0.028 0.000 3.432 603 V HA 0.079 4.199 4.120 -0.000 0.000 0.298 603 V C 0.364 176.465 176.094 0.011 0.000 1.464 603 V CA 0.503 62.816 62.300 0.021 0.000 1.046 603 V CB 1.000 32.835 31.823 0.020 0.000 0.887 603 V HN 0.091 nan 8.190 nan 0.000 0.441 604 D N 0.663 121.069 120.400 0.010 0.000 2.379 604 D HA 0.197 4.837 4.640 -0.000 0.000 0.208 604 D C 0.915 177.213 176.300 -0.003 0.000 1.065 604 D CA 0.827 54.831 54.000 0.007 0.000 0.848 604 D CB 0.952 41.760 40.800 0.013 0.000 0.949 604 D HN 0.474 nan 8.370 nan 0.000 0.509 605 G N 0.236 109.029 108.800 -0.012 0.000 3.114 605 G HA2 0.484 4.444 3.960 -0.000 0.000 0.320 605 G HA3 0.484 4.444 3.960 -0.000 0.000 0.320 605 G C 0.356 175.236 174.900 -0.033 0.000 1.453 605 G CA -0.174 44.907 45.100 -0.031 0.000 1.084 605 G HN 0.088 nan 8.290 nan 0.000 0.516 606 A N 1.328 124.125 122.820 -0.038 0.000 2.268 606 A HA 0.581 4.901 4.320 -0.000 0.000 0.221 606 A C 0.808 178.363 177.584 -0.048 0.000 1.287 606 A CA 0.098 52.114 52.037 -0.036 0.000 0.902 606 A CB -0.103 18.876 19.000 -0.035 0.000 0.877 606 A HN 0.663 nan 8.150 nan 0.000 0.487 607 S N -0.682 114.980 115.700 -0.063 0.000 2.546 607 S HA 0.343 4.813 4.470 -0.000 0.000 0.303 607 S C -1.106 173.425 174.600 -0.114 0.000 1.067 607 S CA -0.402 57.747 58.200 -0.084 0.000 0.944 607 S CB 0.633 63.790 63.200 -0.071 0.000 1.155 607 S HN 0.308 nan 8.310 nan 0.000 0.449 608 I N 3.009 123.463 120.570 -0.192 0.000 2.503 608 I HA 0.375 4.545 4.170 -0.000 0.000 0.282 608 I C -0.766 174.972 176.117 -0.631 0.000 1.059 608 I CA -0.363 60.741 61.300 -0.326 0.000 1.081 608 I CB 1.401 39.233 38.000 -0.279 0.000 1.210 608 I HN 0.383 nan 8.210 nan 0.000 0.450 609 K N 7.511 127.582 120.400 -0.549 0.000 2.265 609 K HA 0.608 4.928 4.320 -0.000 0.000 0.267 609 K C -1.739 174.532 176.600 -0.549 0.000 0.994 609 K CA -0.349 55.603 56.287 -0.557 0.000 0.860 609 K CB 1.257 33.581 32.500 -0.293 0.000 1.099 609 K HN 0.281 nan 8.250 nan 0.000 0.448 610 F N 2.177 122.087 119.950 -0.066 0.000 2.588 610 F HA 0.341 4.868 4.527 -0.000 0.000 0.314 610 F C 0.778 176.582 175.800 0.007 0.000 1.069 610 F CA -0.781 57.193 58.000 -0.043 0.000 0.931 610 F CB 1.604 40.458 39.000 -0.244 0.000 1.260 610 F HN 0.633 nan 8.300 nan 0.000 0.465 611 D N -0.941 119.630 120.400 0.286 0.000 2.348 611 D HA 0.096 4.736 4.640 -0.000 0.000 0.115 611 D C -0.560 175.870 176.300 0.217 0.000 1.491 611 D CA 0.251 54.375 54.000 0.206 0.000 1.321 611 D CB 0.422 41.282 40.800 0.101 0.000 2.433 611 D HN 0.302 nan 8.370 nan 0.000 0.244 612 S N -0.422 115.394 115.700 0.193 0.000 2.547 612 S HA 0.739 5.209 4.470 -0.000 0.000 0.281 612 S C 0.112 174.858 174.600 0.243 0.000 1.118 612 S CA -0.525 57.795 58.200 0.199 0.000 0.947 612 S CB 1.546 64.829 63.200 0.139 0.000 1.053 612 S HN 0.453 nan 8.310 nan 0.000 0.482 613 I N 1.401 122.160 120.570 0.316 0.000 3.269 613 I HA 0.590 4.760 4.170 -0.000 0.000 0.274 613 I C -0.196 176.110 176.117 0.315 0.000 1.013 613 I CA -0.039 61.473 61.300 0.353 0.000 1.966 613 I CB 0.775 39.040 38.000 0.442 0.000 1.717 613 I HN 0.756 nan 8.210 nan 0.000 0.421 614 C N 0.238 119.735 119.300 0.329 0.000 0.173 614 C HA 0.184 4.644 4.460 -0.000 0.000 0.017 614 C C -1.588 172.831 174.990 -0.952 0.000 0.171 614 C CA -0.588 58.311 59.018 -0.197 0.000 0.499 614 C CB -1.093 26.425 27.740 -0.370 0.000 3.212 614 C HN 0.760 nan 8.230 nan 0.000 1.118 615 L N 3.267 123.890 121.223 -1.001 0.000 2.404 615 L HA 0.865 5.205 4.340 -0.000 0.000 0.272 615 L C -0.906 175.764 176.870 -0.333 0.000 0.980 615 L CA 0.021 54.470 54.840 -0.650 0.000 0.836 615 L CB 1.015 42.643 42.059 -0.718 0.000 1.238 615 L HN 0.655 nan 8.230 nan 0.000 0.408 616 Y N 3.665 124.019 120.300 0.090 0.000 2.753 616 Y HA 1.002 5.552 4.550 -0.000 0.000 0.324 616 Y C 0.302 176.149 175.900 -0.089 0.000 1.147 616 Y CA -0.752 57.342 58.100 -0.010 0.000 1.173 616 Y CB 1.352 39.768 38.460 -0.074 0.000 1.361 616 Y HN 0.800 nan 8.280 nan 0.000 0.545 617 A N -0.399 122.426 122.820 0.008 0.000 2.499 617 A HA 0.576 4.896 4.320 -0.000 0.000 0.302 617 A C -1.241 176.282 177.584 -0.102 0.000 0.926 617 A CA -0.416 51.554 52.037 -0.112 0.000 0.584 617 A CB 0.393 19.349 19.000 -0.075 0.000 1.410 617 A HN 0.708 nan 8.150 nan 0.000 0.464 618 T N 0.618 115.113 114.554 -0.099 0.000 2.889 618 T HA 0.720 5.070 4.350 -0.000 0.000 0.315 618 T C -0.837 173.960 174.700 0.161 0.000 1.291 618 T CA -0.151 61.971 62.100 0.037 0.000 1.028 618 T CB 0.777 69.700 68.868 0.092 0.000 1.235 618 T HN 1.360 nan 8.240 nan 0.000 0.491 619 F N 0.642 120.625 119.950 0.056 0.000 2.809 619 F HA 0.830 5.357 4.527 -0.000 0.000 0.347 619 F C -0.548 175.338 175.800 0.144 0.000 1.306 619 F CA -2.402 55.662 58.000 0.107 0.000 1.084 619 F CB -0.346 38.722 39.000 0.115 0.000 1.761 619 F HN 0.494 nan 8.300 nan 0.000 0.485 620 F N 1.976 122.021 119.950 0.158 0.000 2.480 620 F HA 0.687 5.214 4.527 -0.000 0.000 0.329 620 F C -2.429 173.314 175.800 -0.095 0.000 1.091 620 F CA -2.098 55.915 58.000 0.022 0.000 0.972 620 F CB 1.374 40.400 39.000 0.043 0.000 1.150 620 F HN 0.192 nan 8.300 nan 0.000 0.467 621 P HA 0.477 nan 4.420 nan 0.000 0.290 621 P C -1.080 176.272 177.300 0.087 0.000 1.275 621 P CA -0.439 62.601 63.100 -0.100 0.000 0.841 621 P CB 2.213 33.780 31.700 -0.222 0.000 1.042 622 M N 0.184 119.844 119.600 0.099 0.000 3.748 622 M HA 0.478 4.958 4.480 -0.000 0.000 0.354 622 M C -1.777 174.555 176.300 0.053 0.000 1.543 622 M CA -0.639 54.737 55.300 0.127 0.000 0.907 622 M CB 1.383 34.108 32.600 0.209 0.000 2.192 622 M HN 0.413 nan 8.290 nan 0.000 0.508 623 A N 1.153 124.019 122.820 0.076 0.000 2.249 623 A HA 0.555 4.875 4.320 -0.000 0.000 0.314 623 A C -0.792 176.891 177.584 0.164 0.000 1.290 623 A CA -0.369 51.676 52.037 0.012 0.000 0.893 623 A CB -0.332 18.664 19.000 -0.006 0.000 1.165 623 A HN 0.729 nan 8.150 nan 0.000 0.530 624 H N 2.227 121.285 119.070 -0.020 0.000 3.761 624 H HA 0.026 4.582 4.556 -0.000 0.000 0.261 624 H C 0.685 176.004 175.328 -0.015 0.000 1.143 624 H CA 0.355 56.394 56.048 -0.015 0.000 1.239 624 H CB -0.425 29.328 29.762 -0.015 0.000 1.344 624 H HN 0.671 nan 8.280 nan 0.000 0.733 625 N N -0.410 118.345 118.700 0.093 0.000 2.220 625 N HA -0.019 4.721 4.740 -0.000 0.000 0.195 625 N C 0.595 176.114 175.510 0.014 0.000 1.123 625 N CA 0.507 53.576 53.050 0.031 0.000 0.874 625 N CB 0.878 39.364 38.487 -0.002 0.000 0.995 625 N HN 0.308 nan 8.380 nan 0.000 0.498 626 T N -3.440 111.137 114.554 0.038 0.000 3.046 626 T HA 0.350 4.700 4.350 -0.000 0.000 0.270 626 T C 1.062 175.768 174.700 0.009 0.000 0.920 626 T CA 0.118 62.226 62.100 0.012 0.000 0.874 626 T CB 0.502 69.370 68.868 0.000 0.000 1.214 626 T HN 0.105 nan 8.240 nan 0.000 0.536 627 A N 0.814 123.642 122.820 0.013 0.000 2.423 627 A HA 0.610 4.930 4.320 -0.000 0.000 0.246 627 A C 1.802 179.270 177.584 -0.192 0.000 1.278 627 A CA 0.007 51.955 52.037 -0.148 0.000 0.903 627 A CB -0.172 18.573 19.000 -0.425 0.000 0.997 627 A HN 0.280 nan 8.150 nan 0.000 0.510 628 S N -1.416 114.245 115.700 -0.066 0.000 2.526 628 S HA 0.006 4.476 4.470 -0.000 0.000 0.220 628 S C 1.765 176.357 174.600 -0.014 0.000 1.017 628 S CA 0.768 58.947 58.200 -0.034 0.000 0.930 628 S CB 0.045 63.252 63.200 0.011 0.000 0.856 628 S HN 0.599 nan 8.310 nan 0.000 0.497 629 T N 3.087 117.633 114.554 -0.013 0.000 2.699 629 T HA -0.094 4.256 4.350 -0.000 0.000 0.268 629 T C 1.457 176.157 174.700 0.001 0.000 1.036 629 T CA 1.222 63.320 62.100 -0.004 0.000 1.147 629 T CB -0.189 68.674 68.868 -0.007 0.000 0.862 629 T HN 0.176 nan 8.240 nan 0.000 0.446 630 L N 0.805 122.025 121.223 -0.006 0.000 2.068 630 L HA 0.160 4.500 4.340 -0.000 0.000 0.204 630 L C 2.301 179.182 176.870 0.018 0.000 1.076 630 L CA 1.207 56.053 54.840 0.009 0.000 0.753 630 L CB -1.500 40.563 42.059 0.007 0.000 0.910 630 L HN 0.201 nan 8.230 nan 0.000 0.439 631 E N 0.090 120.293 120.200 0.004 0.000 2.483 631 E HA -0.209 4.141 4.350 -0.000 0.000 0.207 631 E C 1.186 177.807 176.600 0.035 0.000 1.117 631 E CA 1.042 57.452 56.400 0.017 0.000 0.915 631 E CB -0.039 29.662 29.700 0.002 0.000 0.862 631 E HN 0.416 nan 8.360 nan 0.000 0.600 632 A N -0.942 121.898 122.820 0.034 0.000 2.733 632 A HA 0.209 4.529 4.320 -0.000 0.000 0.232 632 A C 1.233 178.840 177.584 0.039 0.000 1.251 632 A CA 0.232 52.292 52.037 0.039 0.000 1.015 632 A CB 0.002 19.021 19.000 0.031 0.000 1.291 632 A HN 0.317 nan 8.150 nan 0.000 0.595 633 M N -1.220 118.402 119.600 0.037 0.000 2.306 633 M HA 0.439 4.919 4.480 -0.000 0.000 0.292 633 M C 0.464 176.788 176.300 0.039 0.000 1.018 633 M CA 0.480 55.799 55.300 0.032 0.000 1.007 633 M CB -0.127 32.487 32.600 0.024 0.000 1.510 633 M HN 0.100 nan 8.290 nan 0.000 0.537 634 L N -1.343 119.913 121.223 0.055 0.000 2.638 634 L HA 0.398 4.738 4.340 -0.000 0.000 0.232 634 L C 2.093 179.017 176.870 0.089 0.000 1.099 634 L CA -0.162 54.719 54.840 0.070 0.000 0.883 634 L CB -0.383 41.724 42.059 0.080 0.000 1.136 634 L HN 0.189 nan 8.230 nan 0.000 0.492 635 R N 1.395 121.951 120.500 0.092 0.000 2.173 635 R HA 0.084 4.424 4.340 -0.000 0.000 0.208 635 R C 0.670 177.042 176.300 0.119 0.000 1.035 635 R CA 0.243 56.420 56.100 0.128 0.000 1.004 635 R CB -0.311 30.054 30.300 0.110 0.000 0.917 635 R HN 0.597 nan 8.270 nan 0.000 0.462 636 N N 1.143 119.877 118.700 0.057 0.000 2.297 636 N HA -0.060 4.680 4.740 -0.000 0.000 0.232 636 N C -0.616 174.844 175.510 -0.083 0.000 1.311 636 N CA -0.077 52.984 53.050 0.017 0.000 0.897 636 N CB 0.523 39.014 38.487 0.007 0.000 1.137 636 N HN -0.129 nan 8.380 nan 0.000 0.449 637 D N -0.356 119.969 120.400 -0.125 0.000 2.369 637 D HA -0.039 4.601 4.640 -0.000 0.000 0.231 637 D C 1.714 177.927 176.300 -0.145 0.000 0.967 637 D CA 1.111 54.944 54.000 -0.279 0.000 0.905 637 D CB -0.542 40.147 40.800 -0.185 0.000 1.044 637 D HN 0.573 nan 8.370 nan 0.000 0.487 638 T N 1.176 115.688 114.554 -0.069 0.000 2.536 638 T HA -0.188 4.162 4.350 -0.000 0.000 0.263 638 T C 0.977 175.656 174.700 -0.036 0.000 1.115 638 T CA 1.045 63.122 62.100 -0.039 0.000 1.180 638 T CB -0.533 68.323 68.868 -0.019 0.000 0.864 638 T HN 0.109 nan 8.240 nan 0.000 0.419 639 N N 2.787 121.472 118.700 -0.026 0.000 3.050 639 N HA 0.096 4.836 4.740 -0.000 0.000 0.289 639 N C -1.186 174.322 175.510 -0.003 0.000 1.209 639 N CA 0.239 53.284 53.050 -0.008 0.000 1.154 639 N CB 0.100 38.590 38.487 0.005 0.000 1.444 639 N HN 0.366 nan 8.380 nan 0.000 0.529 640 D N 1.012 121.406 120.400 -0.010 0.000 2.505 640 D HA 0.168 4.808 4.640 -0.000 0.000 0.249 640 D C -0.145 176.205 176.300 0.083 0.000 1.082 640 D CA -0.474 53.532 54.000 0.010 0.000 0.839 640 D CB 1.563 42.314 40.800 -0.081 0.000 1.317 640 D HN 0.168 nan 8.370 nan 0.000 0.497 641 Q N 0.459 120.360 119.800 0.168 0.000 2.349 641 Q HA 0.346 4.686 4.340 -0.000 0.000 0.287 641 Q C -0.255 175.965 176.000 0.366 0.000 1.044 641 Q CA 0.327 56.344 55.803 0.356 0.000 0.918 641 Q CB 0.516 29.572 28.738 0.529 0.000 1.242 641 Q HN 0.093 nan 8.270 nan 0.000 0.405 642 S N 1.833 117.770 115.700 0.395 0.000 2.776 642 S HA 0.661 5.131 4.470 -0.000 0.000 0.284 642 S C -1.888 172.889 174.600 0.295 0.000 1.160 642 S CA -0.683 57.697 58.200 0.302 0.000 1.051 642 S CB 0.267 63.521 63.200 0.089 0.000 1.037 642 S HN 0.416 nan 8.310 nan 0.000 0.485 643 F N 4.286 124.261 119.950 0.041 0.000 2.716 643 F HA 0.353 4.880 4.527 -0.000 0.000 0.354 643 F C 0.503 176.307 175.800 0.006 0.000 1.168 643 F CA -1.694 56.327 58.000 0.035 0.000 1.045 643 F CB 0.559 39.603 39.000 0.073 0.000 1.311 643 F HN 0.654 nan 8.300 nan 0.000 0.477 644 N N 0.860 119.619 118.700 0.099 0.000 2.179 644 N HA -0.072 4.668 4.740 -0.000 0.000 0.219 644 N C -0.725 174.701 175.510 -0.140 0.000 1.352 644 N CA 0.251 53.286 53.050 -0.024 0.000 0.856 644 N CB 0.432 38.886 38.487 -0.054 0.000 1.040 644 N HN 0.511 nan 8.380 nan 0.000 0.436 645 D N -1.668 118.588 120.400 -0.240 0.000 2.620 645 D HA 0.057 4.697 4.640 -0.000 0.000 0.252 645 D C -0.559 175.669 176.300 -0.120 0.000 1.207 645 D CA -0.434 53.347 54.000 -0.365 0.000 0.884 645 D CB 0.301 40.681 40.800 -0.700 0.000 1.262 645 D HN 0.718 nan 8.370 nan 0.000 0.552 646 Y N 3.458 123.636 120.300 -0.203 0.000 2.439 646 Y HA -0.080 4.470 4.550 -0.000 0.000 0.292 646 Y C 1.960 177.748 175.900 -0.186 0.000 1.130 646 Y CA 0.287 58.285 58.100 -0.170 0.000 1.254 646 Y CB 0.603 38.966 38.460 -0.163 0.000 1.000 646 Y HN 0.466 nan 8.280 nan 0.000 0.554 647 L N -0.714 120.476 121.223 -0.055 0.000 1.994 647 L HA -0.287 4.053 4.340 -0.000 0.000 0.208 647 L C 2.216 179.039 176.870 -0.077 0.000 1.071 647 L CA 1.839 56.610 54.840 -0.115 0.000 0.745 647 L CB -0.469 41.513 42.059 -0.129 0.000 0.892 647 L HN 0.204 nan 8.230 nan 0.000 0.431 648 S N -1.283 114.363 115.700 -0.091 0.000 2.516 648 S HA -0.335 4.135 4.470 -0.000 0.000 0.247 648 S C 0.891 175.411 174.600 -0.134 0.000 1.306 648 S CA 0.882 59.018 58.200 -0.106 0.000 1.629 648 S CB -1.482 61.644 63.200 -0.124 0.000 2.146 648 S HN 0.801 nan 8.310 nan 0.000 0.681 649 A N 0.536 123.301 122.820 -0.091 0.000 2.587 649 A HA 0.448 4.768 4.320 -0.000 0.000 0.233 649 A C 0.494 178.078 177.584 0.001 0.000 1.049 649 A CA 0.869 52.874 52.037 -0.053 0.000 0.754 649 A CB 0.070 19.061 19.000 -0.014 0.000 0.977 649 A HN 1.487 nan 8.150 nan 0.000 0.509 650 A N 3.978 126.812 122.820 0.022 0.000 2.842 650 A HA 0.440 4.760 4.320 -0.000 0.000 0.339 650 A C -0.035 177.522 177.584 -0.045 0.000 1.177 650 A CA -0.792 51.296 52.037 0.085 0.000 0.797 650 A CB -0.081 19.057 19.000 0.230 0.000 1.094 650 A HN 0.860 nan 8.150 nan 0.000 0.474 651 N N 2.589 121.268 118.700 -0.035 0.000 2.470 651 N HA 0.280 5.020 4.740 -0.000 0.000 0.268 651 N C -0.697 174.677 175.510 -0.226 0.000 1.136 651 N CA 0.004 52.996 53.050 -0.097 0.000 0.961 651 N CB 1.226 39.827 38.487 0.191 0.000 1.067 651 N HN 0.459 nan 8.380 nan 0.000 0.468 652 M N 2.464 121.760 119.600 -0.506 0.000 2.383 652 M HA 0.312 4.792 4.480 -0.000 0.000 0.325 652 M C -1.258 174.540 176.300 -0.836 0.000 1.092 652 M CA -0.932 54.043 55.300 -0.541 0.000 0.961 652 M CB 1.742 34.063 32.600 -0.464 0.000 1.672 652 M HN 0.367 nan 8.290 nan 0.000 0.438 653 L N 5.116 125.953 121.223 -0.644 0.000 2.283 653 L HA 0.245 4.585 4.340 -0.000 0.000 0.287 653 L C -1.054 175.495 176.870 -0.534 0.000 1.073 653 L CA 0.338 54.869 54.840 -0.515 0.000 0.822 653 L CB -0.394 41.519 42.059 -0.243 0.000 1.186 653 L HN 0.471 nan 8.230 nan 0.000 0.436 654 Y N 3.784 123.950 120.300 -0.223 0.000 2.805 654 Y HA 0.360 4.910 4.550 -0.000 0.000 0.339 654 Y C -1.729 174.108 175.900 -0.104 0.000 1.012 654 Y CA -2.411 55.600 58.100 -0.148 0.000 1.262 654 Y CB 0.891 39.249 38.460 -0.171 0.000 1.100 654 Y HN 0.528 nan 8.280 nan 0.000 0.559 655 P HA -0.012 nan 4.420 nan 0.000 0.271 655 P C -0.491 176.820 177.300 0.018 0.000 1.228 655 P CA 0.334 63.457 63.100 0.038 0.000 0.797 655 P CB 1.213 32.931 31.700 0.031 0.000 0.914 656 I N 1.234 121.802 120.570 -0.004 0.000 2.582 656 I HA 0.315 4.485 4.170 -0.000 0.000 0.292 656 I C -1.993 174.109 176.117 -0.025 0.000 1.066 656 I CA -2.309 58.975 61.300 -0.027 0.000 1.053 656 I CB 2.539 40.516 38.000 -0.038 0.000 1.241 656 I HN 0.359 nan 8.210 nan 0.000 0.421 657 P HA 0.217 nan 4.420 nan 0.000 0.312 657 P C -0.341 176.942 177.300 -0.029 0.000 1.308 657 P CA -0.465 62.619 63.100 -0.027 0.000 0.743 657 P CB 0.525 32.207 31.700 -0.030 0.000 1.364 658 A N 0.359 123.164 122.820 -0.024 0.000 3.078 658 A HA 0.029 4.349 4.320 -0.000 0.000 0.258 658 A C 0.402 177.969 177.584 -0.028 0.000 1.971 658 A CA 0.797 52.820 52.037 -0.023 0.000 1.524 658 A CB -2.166 16.823 19.000 -0.017 0.000 0.871 658 A HN 0.664 nan 8.150 nan 0.000 0.609 659 N N -1.496 117.182 118.700 -0.036 0.000 2.441 659 N HA -0.042 4.698 4.740 -0.000 0.000 0.209 659 N C 0.131 175.603 175.510 -0.064 0.000 1.661 659 N CA 1.284 54.306 53.050 -0.046 0.000 3.327 659 N CB -1.395 37.067 38.487 -0.041 0.000 1.494 659 N HN 1.912 nan 8.380 nan 0.000 1.121 660 A N -0.470 122.311 122.820 -0.064 0.000 2.399 660 A HA 0.098 4.418 4.320 -0.000 0.000 0.673 660 A C 0.554 178.074 177.584 -0.106 0.000 0.159 660 A CA 1.854 53.842 52.037 -0.081 0.000 0.103 660 A CB -1.112 17.836 19.000 -0.086 0.000 3.899 660 A HN 1.031 nan 8.150 nan 0.000 0.537 661 T N 0.940 115.430 114.554 -0.107 0.000 3.403 661 T HA 0.477 4.827 4.350 -0.000 0.000 0.308 661 T C 0.024 174.650 174.700 -0.123 0.000 0.952 661 T CA 0.741 62.762 62.100 -0.132 0.000 0.970 661 T CB -0.790 68.013 68.868 -0.109 0.000 1.189 661 T HN 1.137 nan 8.240 nan 0.000 0.528 662 N N 0.779 119.416 118.700 -0.104 0.000 3.111 662 N HA 0.314 5.054 4.740 -0.000 0.000 0.200 662 N C -1.277 174.190 175.510 -0.071 0.000 1.464 662 N CA -0.372 52.634 53.050 -0.073 0.000 0.758 662 N CB 1.314 39.767 38.487 -0.056 0.000 1.548 662 N HN 0.201 nan 8.380 nan 0.000 0.595 663 V N 0.013 119.871 119.914 -0.094 0.000 2.715 663 V HA 0.805 4.925 4.120 -0.000 0.000 0.310 663 V C -2.229 173.802 176.094 -0.104 0.000 1.054 663 V CA -1.450 60.776 62.300 -0.124 0.000 0.928 663 V CB 1.631 33.347 31.823 -0.179 0.000 1.007 663 V HN 0.207 nan 8.190 nan 0.000 0.437 664 P HA 0.665 nan 4.420 nan 0.000 0.300 664 P C -0.750 176.422 177.300 -0.213 0.000 1.336 664 P CA -0.516 62.542 63.100 -0.070 0.000 0.824 664 P CB 1.419 33.091 31.700 -0.047 0.000 2.091 665 I N -2.614 117.834 120.570 -0.203 0.000 2.882 665 I HA 0.557 4.727 4.170 -0.000 0.000 0.298 665 I C -1.878 174.170 176.117 -0.115 0.000 1.462 665 I CA -0.475 60.645 61.300 -0.299 0.000 1.000 665 I CB 2.098 40.068 38.000 -0.050 0.000 1.340 665 I HN 0.035 nan 8.210 nan 0.000 0.462 666 S N 6.770 122.467 115.700 -0.006 0.000 2.789 666 S HA 0.774 5.244 4.470 -0.000 0.000 0.286 666 S C -1.053 173.670 174.600 0.205 0.000 1.153 666 S CA -0.418 57.844 58.200 0.103 0.000 1.084 666 S CB 0.517 63.769 63.200 0.087 0.000 1.036 666 S HN 0.468 nan 8.310 nan 0.000 0.484 667 I N 4.828 125.511 120.570 0.189 0.000 2.882 667 I HA 0.389 4.559 4.170 -0.000 0.000 0.298 667 I C -2.347 173.912 176.117 0.236 0.000 1.462 667 I CA -1.797 59.641 61.300 0.231 0.000 1.000 667 I CB 2.843 41.008 38.000 0.275 0.000 1.340 667 I HN 0.420 nan 8.210 nan 0.000 0.462 668 P HA 0.317 nan 4.420 nan 0.000 0.346 668 P C -0.670 176.868 177.300 0.397 0.000 1.325 668 P CA -0.254 62.989 63.100 0.239 0.000 0.803 668 P CB 0.529 32.306 31.700 0.129 0.000 1.856 669 S N -0.967 114.884 115.700 0.251 0.000 2.497 669 S HA 0.389 4.859 4.470 -0.000 0.000 0.176 669 S C 0.446 175.151 174.600 0.174 0.000 1.445 669 S CA -0.703 57.652 58.200 0.258 0.000 1.092 669 S CB -0.096 63.054 63.200 -0.083 0.000 1.216 669 S HN 0.197 nan 8.310 nan 0.000 0.486 670 R N 1.156 121.685 120.500 0.049 0.000 2.601 670 R HA 0.348 4.688 4.340 -0.000 0.000 0.220 670 R C 0.249 176.530 176.300 -0.031 0.000 1.329 670 R CA -1.139 54.639 56.100 -0.537 0.000 1.043 670 R CB -0.004 29.209 30.300 -1.812 0.000 1.807 670 R HN 0.312 nan 8.270 nan 0.000 0.537 671 N N 1.514 120.155 118.700 -0.099 0.000 2.291 671 N HA -0.188 4.552 4.740 -0.000 0.000 0.281 671 N C 0.259 176.120 175.510 0.584 0.000 1.388 671 N CA 0.499 53.739 53.050 0.317 0.000 0.920 671 N CB 0.081 38.739 38.487 0.286 0.000 1.276 671 N HN 0.447 nan 8.380 nan 0.000 0.493 672 W N 3.383 124.817 121.300 0.223 0.000 2.394 672 W HA 0.008 4.668 4.660 -0.000 0.000 0.320 672 W C 1.233 177.785 176.519 0.054 0.000 1.148 672 W CA 0.854 58.304 57.345 0.175 0.000 1.272 672 W CB -0.778 28.814 29.460 0.219 0.000 1.210 672 W HN 0.601 nan 8.180 nan 0.000 0.455 673 A N 0.850 123.897 122.820 0.380 0.000 2.715 673 A HA 0.197 4.517 4.320 -0.000 0.000 0.255 673 A C 0.367 177.908 177.584 -0.071 0.000 1.299 673 A CA 1.460 53.616 52.037 0.197 0.000 1.119 673 A CB -1.018 18.166 19.000 0.308 0.000 1.104 673 A HN 1.481 nan 8.150 nan 0.000 0.536 674 A N -1.957 120.813 122.820 -0.084 0.000 2.416 674 A HA 0.255 4.575 4.320 -0.000 0.000 0.679 674 A C -0.464 177.031 177.584 -0.147 0.000 0.152 674 A CA 0.750 52.697 52.037 -0.151 0.000 0.074 674 A CB -1.465 17.335 19.000 -0.334 0.000 3.935 674 A HN 2.394 nan 8.150 nan 0.000 0.542 675 F N 1.219 120.994 119.950 -0.291 0.000 2.719 675 F HA 0.768 5.295 4.527 -0.000 0.000 0.309 675 F C 0.218 175.910 175.800 -0.181 0.000 1.138 675 F CA -0.507 57.185 58.000 -0.514 0.000 0.943 675 F CB 1.779 39.504 39.000 -2.126 0.000 1.304 675 F HN 0.815 nan 8.300 nan 0.000 0.445 676 R N 2.156 122.213 120.500 -0.740 0.000 2.570 676 R HA 0.455 4.795 4.340 -0.000 0.000 0.246 676 R C 0.330 175.880 176.300 -1.250 0.000 1.417 676 R CA 0.382 56.053 56.100 -0.714 0.000 1.525 676 R CB 0.333 30.410 30.300 -0.370 0.000 1.403 676 R HN 1.102 nan 8.270 nan 0.000 0.754 677 G N 1.331 108.959 108.800 -1.954 0.000 2.581 677 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.289 677 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.289 677 G C -0.173 173.510 174.900 -2.028 0.000 1.303 677 G CA 0.674 44.318 45.100 -2.428 0.000 0.931 677 G HN 0.502 nan 8.290 nan 0.000 0.555 678 W N -3.104 118.010 121.300 -0.309 0.000 2.977 678 W HA 0.668 5.328 4.660 -0.000 0.000 0.426 678 W C 0.295 176.656 176.519 -0.264 0.000 1.005 678 W CA -0.333 56.899 57.345 -0.188 0.000 1.352 678 W CB 0.392 29.869 29.460 0.029 0.000 1.403 678 W HN 1.893 nan 8.180 nan 0.000 0.643 679 A N -0.692 122.088 122.820 -0.068 0.000 2.375 679 A HA 0.722 5.042 4.320 -0.000 0.000 0.299 679 A C -1.428 175.798 177.584 -0.597 0.000 1.044 679 A CA 0.028 51.797 52.037 -0.447 0.000 0.585 679 A CB 0.323 19.180 19.000 -0.238 0.000 1.438 679 A HN 0.998 nan 8.150 nan 0.000 0.574 680 F N -2.875 117.059 119.950 -0.026 0.000 1.948 680 F HA 0.766 5.293 4.527 -0.000 0.000 0.226 680 F C 0.537 176.326 175.800 -0.018 0.000 1.289 680 F CA 0.465 58.477 58.000 0.021 0.000 1.177 680 F CB -0.852 38.175 39.000 0.046 0.000 2.086 680 F HN 1.539 nan 8.300 nan 0.000 0.104 681 T N 0.259 114.973 114.554 0.267 0.000 2.583 681 T HA 0.056 4.406 4.350 -0.000 0.000 0.122 681 T C -0.721 174.007 174.700 0.047 0.000 2.297 681 T CA -0.099 62.043 62.100 0.070 0.000 1.044 681 T CB -0.389 68.559 68.868 0.133 0.000 2.566 681 T HN 0.946 nan 8.240 nan 0.000 0.246 682 R N 0.819 121.319 120.500 -0.002 0.000 2.672 682 R HA 0.360 4.700 4.340 -0.000 0.000 0.228 682 R C 0.148 176.412 176.300 -0.061 0.000 1.501 682 R CA -0.278 55.812 56.100 -0.018 0.000 1.514 682 R CB -0.176 30.106 30.300 -0.030 0.000 1.489 682 R HN 0.583 nan 8.270 nan 0.000 0.747 683 L N 1.099 122.291 121.223 -0.052 0.000 2.347 683 L HA 0.138 4.478 4.340 -0.000 0.000 0.172 683 L C 0.413 177.252 176.870 -0.052 0.000 1.009 683 L CA 0.949 55.749 54.840 -0.068 0.000 0.974 683 L CB 0.259 42.279 42.059 -0.066 0.000 1.427 683 L HN 0.394 nan 8.230 nan 0.000 0.507 684 K N -2.246 118.128 120.400 -0.044 0.000 2.152 684 K HA 0.308 4.628 4.320 -0.000 0.000 0.257 684 K C 0.143 176.742 176.600 -0.001 0.000 0.961 684 K CA -0.559 55.711 56.287 -0.030 0.000 0.816 684 K CB 0.430 32.903 32.500 -0.046 0.000 1.501 684 K HN 0.318 nan 8.250 nan 0.000 0.417 685 T N -0.440 114.124 114.554 0.016 0.000 3.169 685 T HA 0.091 4.441 4.350 -0.000 0.000 0.250 685 T C 0.098 174.881 174.700 0.138 0.000 1.111 685 T CA 0.336 62.472 62.100 0.060 0.000 1.010 685 T CB -0.233 68.662 68.868 0.044 0.000 0.984 685 T HN 0.271 nan 8.240 nan 0.000 0.537 686 K N 1.562 122.010 120.400 0.080 0.000 2.992 686 K HA 0.310 4.630 4.320 -0.000 0.000 0.178 686 K C -0.345 176.135 176.600 -0.201 0.000 1.122 686 K CA -0.263 56.058 56.287 0.056 0.000 0.926 686 K CB 0.045 32.515 32.500 -0.049 0.000 1.121 686 K HN 0.046 nan 8.250 nan 0.000 0.610 687 E N 0.703 120.928 120.200 0.042 0.000 4.139 687 E HA -0.021 4.329 4.350 -0.000 0.000 0.335 687 E C -1.311 175.354 176.600 0.109 0.000 0.629 687 E CA 0.261 56.637 56.400 -0.040 0.000 1.524 687 E CB -0.193 29.351 29.700 -0.260 0.000 1.920 687 E HN 0.461 nan 8.360 nan 0.000 0.321 688 T N 0.432 115.028 114.554 0.070 0.000 4.096 688 T HA 0.308 4.658 4.350 -0.000 0.000 0.336 688 T C -2.965 171.480 174.700 -0.426 0.000 0.820 688 T CA -0.927 61.092 62.100 -0.135 0.000 0.986 688 T CB 2.073 70.909 68.868 -0.053 0.000 1.077 688 T HN -0.140 nan 8.240 nan 0.000 0.466 689 P HA 0.639 nan 4.420 nan 0.000 0.314 689 P C -0.401 176.778 177.300 -0.201 0.000 1.306 689 P CA -0.774 61.907 63.100 -0.698 0.000 0.782 689 P CB 1.016 32.147 31.700 -0.948 0.000 1.337 690 S N -0.733 114.929 115.700 -0.063 0.000 2.537 690 S HA 0.330 4.800 4.470 -0.000 0.000 0.275 690 S C 0.590 175.226 174.600 0.061 0.000 1.272 690 S CA -0.418 57.795 58.200 0.021 0.000 1.050 690 S CB -0.633 62.603 63.200 0.061 0.000 0.961 690 S HN 0.222 nan 8.310 nan 0.000 0.496 691 L N 3.838 125.106 121.223 0.074 0.000 2.857 691 L HA 0.421 4.761 4.340 -0.000 0.000 0.249 691 L C 1.839 178.779 176.870 0.117 0.000 1.172 691 L CA -0.002 54.907 54.840 0.116 0.000 0.980 691 L CB -0.035 42.101 42.059 0.128 0.000 1.299 691 L HN 0.752 nan 8.230 nan 0.000 0.535 692 G N -1.325 107.529 108.800 0.088 0.000 2.490 692 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.211 692 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.211 692 G C 1.188 176.127 174.900 0.065 0.000 1.159 692 G CA 0.218 45.361 45.100 0.073 0.000 0.819 692 G HN 0.216 nan 8.290 nan 0.000 0.539 693 S N 0.860 116.603 115.700 0.071 0.000 3.033 693 S HA 0.358 4.828 4.470 -0.000 0.000 0.258 693 S C 1.956 176.598 174.600 0.071 0.000 1.207 693 S CA 0.709 58.945 58.200 0.059 0.000 1.248 693 S CB -1.103 62.137 63.200 0.066 0.000 0.932 693 S HN 0.772 nan 8.310 nan 0.000 0.472 694 G N 2.006 110.837 108.800 0.051 0.000 3.191 694 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.357 694 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.357 694 G C 0.190 175.206 174.900 0.193 0.000 1.651 694 G CA 1.285 46.383 45.100 -0.003 0.000 1.737 694 G HN 0.694 nan 8.290 nan 0.000 0.865 695 Y N 3.588 123.862 120.300 -0.043 0.000 2.454 695 Y HA 0.621 5.171 4.550 -0.000 0.000 0.345 695 Y C -0.546 175.463 175.900 0.182 0.000 0.970 695 Y CA -1.975 56.270 58.100 0.242 0.000 1.204 695 Y CB 0.348 38.982 38.460 0.290 0.000 1.122 695 Y HN 0.322 nan 8.280 nan 0.000 0.514 696 D N 8.340 129.107 120.400 0.611 0.000 2.359 696 D HA 0.359 4.999 4.640 -0.000 0.000 0.230 696 D C -1.983 174.561 176.300 0.407 0.000 1.118 696 D CA -2.097 52.124 54.000 0.369 0.000 0.844 696 D CB 1.689 42.652 40.800 0.271 0.000 1.059 696 D HN 0.317 nan 8.370 nan 0.000 0.493 697 P HA -0.056 nan 4.420 nan 0.000 0.222 697 P C -0.504 176.832 177.300 0.060 0.000 1.153 697 P CA 0.620 63.774 63.100 0.090 0.000 0.798 697 P CB 0.174 31.779 31.700 -0.159 0.000 0.796 698 Y N 0.088 120.490 120.300 0.170 0.000 2.717 698 Y HA 0.497 5.047 4.550 -0.000 0.000 0.329 698 Y C -0.553 175.509 175.900 0.270 0.000 1.017 698 Y CA -1.272 56.926 58.100 0.163 0.000 1.275 698 Y CB -0.031 38.495 38.460 0.110 0.000 1.109 698 Y HN -0.109 nan 8.280 nan 0.000 0.511 699 Y N 0.429 120.902 120.300 0.287 0.000 2.575 699 Y HA 0.255 4.805 4.550 -0.000 0.000 0.346 699 Y C -1.166 174.844 175.900 0.183 0.000 1.260 699 Y CA -1.139 57.086 58.100 0.208 0.000 1.317 699 Y CB 0.983 39.557 38.460 0.190 0.000 1.352 699 Y HN 0.250 nan 8.280 nan 0.000 0.492 700 T N 5.503 119.504 114.554 -0.922 0.000 3.630 700 T HA 0.337 4.687 4.350 -0.000 0.000 0.238 700 T C -1.650 172.735 174.700 -0.525 0.000 1.195 700 T CA -0.163 61.600 62.100 -0.563 0.000 1.433 700 T CB -0.472 68.282 68.868 -0.190 0.000 0.940 700 T HN 0.492 nan 8.240 nan 0.000 0.641 701 Y N 0.958 120.709 120.300 -0.914 0.000 2.237 701 Y HA 0.311 4.861 4.550 -0.000 0.000 0.316 701 Y C 0.379 176.401 175.900 0.204 0.000 1.236 701 Y CA -0.603 57.377 58.100 -0.201 0.000 1.257 701 Y CB 0.982 39.403 38.460 -0.065 0.000 1.272 701 Y HN 0.233 nan 8.280 nan 0.000 0.394 702 S N 1.608 117.256 115.700 -0.086 0.000 2.520 702 S HA 0.234 4.704 4.470 -0.000 0.000 0.219 702 S C 1.642 176.140 174.600 -0.170 0.000 1.028 702 S CA 0.137 58.339 58.200 0.004 0.000 0.921 702 S CB 0.539 63.720 63.200 -0.033 0.000 0.844 702 S HN 0.942 nan 8.310 nan 0.000 0.495 703 G N 2.663 111.127 108.800 -0.560 0.000 3.906 703 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.355 703 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.355 703 G C 0.920 175.754 174.900 -0.110 0.000 0.859 703 G CA 1.212 46.038 45.100 -0.457 0.000 0.776 703 G HN 0.654 nan 8.290 nan 0.000 1.403 704 S N -0.129 115.617 115.700 0.077 0.000 2.552 704 S HA 0.311 4.781 4.470 -0.000 0.000 0.246 704 S C 0.920 175.661 174.600 0.235 0.000 1.019 704 S CA -0.601 57.687 58.200 0.148 0.000 1.045 704 S CB -0.762 62.539 63.200 0.169 0.000 0.784 704 S HN 0.359 nan 8.310 nan 0.000 0.453 705 I N 3.228 123.980 120.570 0.304 0.000 3.269 705 I HA -0.002 4.168 4.170 -0.000 0.000 0.290 705 I C -1.629 174.563 176.117 0.124 0.000 1.217 705 I CA -0.803 60.648 61.300 0.253 0.000 1.384 705 I CB 0.333 38.486 38.000 0.255 0.000 1.476 705 I HN 0.272 nan 8.210 nan 0.000 0.566 706 P HA -0.207 nan 4.420 nan 0.000 0.235 706 P C 0.465 177.722 177.300 -0.071 0.000 1.166 706 P CA 1.093 64.178 63.100 -0.023 0.000 0.760 706 P CB -0.093 31.610 31.700 0.006 0.000 0.815 707 Y N 0.990 121.200 120.300 -0.150 0.000 3.184 707 Y HA 0.050 4.600 4.550 -0.000 0.000 0.213 707 Y C 0.879 176.683 175.900 -0.160 0.000 0.892 707 Y CA -0.733 57.264 58.100 -0.172 0.000 0.931 707 Y CB -1.062 37.302 38.460 -0.159 0.000 1.108 707 Y HN -0.339 nan 8.280 nan 0.000 0.477 708 L N 3.764 124.823 121.223 -0.273 0.000 2.878 708 L HA -0.077 4.263 4.340 -0.000 0.000 0.285 708 L C -0.272 176.491 176.870 -0.178 0.000 1.090 708 L CA 1.154 55.801 54.840 -0.321 0.000 1.030 708 L CB -1.216 40.674 42.059 -0.282 0.000 1.431 708 L HN 0.489 nan 8.230 nan 0.000 0.456 709 D N 1.514 121.804 120.400 -0.184 0.000 3.000 709 D HA 0.039 4.679 4.640 -0.000 0.000 0.313 709 D C 0.044 176.205 176.300 -0.232 0.000 1.266 709 D CA 0.195 54.084 54.000 -0.184 0.000 0.716 709 D CB 0.696 41.377 40.800 -0.200 0.000 1.278 709 D HN 0.348 nan 8.370 nan 0.000 0.450 710 G N -0.010 108.634 108.800 -0.261 0.000 3.735 710 G HA2 0.260 4.220 3.960 -0.000 0.000 0.283 710 G HA3 0.260 4.220 3.960 -0.000 0.000 0.283 710 G C 0.243 174.873 174.900 -0.451 0.000 1.007 710 G CA 0.439 45.415 45.100 -0.207 0.000 0.821 710 G HN 0.342 nan 8.290 nan 0.000 0.505 711 T N -0.828 113.341 114.554 -0.643 0.000 2.723 711 T HA 0.597 4.947 4.350 -0.000 0.000 0.297 711 T C -0.879 173.429 174.700 -0.654 0.000 0.925 711 T CA -0.583 61.243 62.100 -0.458 0.000 1.030 711 T CB 0.129 68.891 68.868 -0.177 0.000 0.905 711 T HN -0.008 nan 8.240 nan 0.000 0.502 712 F N 5.108 125.141 119.950 0.139 0.000 2.564 712 F HA 0.288 4.815 4.527 -0.000 0.000 0.361 712 F C 0.263 176.118 175.800 0.091 0.000 1.161 712 F CA -1.500 56.525 58.000 0.042 0.000 1.198 712 F CB 0.597 39.535 39.000 -0.103 0.000 1.424 712 F HN 0.789 nan 8.300 nan 0.000 0.517 713 Y N -0.141 120.231 120.300 0.121 0.000 2.467 713 Y HA 0.503 5.053 4.550 -0.000 0.000 0.250 713 Y C 0.253 176.076 175.900 -0.128 0.000 1.155 713 Y CA 0.241 58.391 58.100 0.083 0.000 1.249 713 Y CB 0.098 38.649 38.460 0.152 0.000 1.146 713 Y HN 0.351 nan 8.280 nan 0.000 0.524 714 L N 0.714 121.575 121.223 -0.603 0.000 2.728 714 L HA 0.204 4.544 4.340 -0.000 0.000 0.238 714 L C 1.450 178.119 176.870 -0.334 0.000 1.143 714 L CA 0.081 54.597 54.840 -0.539 0.000 0.937 714 L CB -0.239 41.547 42.059 -0.455 0.000 1.225 714 L HN 0.225 nan 8.230 nan 0.000 0.507 715 N N 0.519 118.969 118.700 -0.418 0.000 2.004 715 N HA -0.203 4.537 4.740 -0.000 0.000 0.196 715 N C 1.252 176.711 175.510 -0.084 0.000 1.064 715 N CA 1.609 54.533 53.050 -0.210 0.000 0.855 715 N CB -0.647 37.771 38.487 -0.116 0.000 1.056 715 N HN 0.470 nan 8.380 nan 0.000 0.423 716 H N 0.352 119.565 119.070 0.238 0.000 2.522 716 H HA -0.067 4.489 4.556 -0.000 0.000 0.301 716 H C 0.318 175.803 175.328 0.260 0.000 1.112 716 H CA 1.129 57.376 56.048 0.333 0.000 1.219 716 H CB -1.355 28.757 29.762 0.584 0.000 1.340 716 H HN 0.271 nan 8.280 nan 0.000 0.613 717 T N -2.972 111.723 114.554 0.236 0.000 3.293 717 T HA 0.304 4.654 4.350 -0.000 0.000 0.276 717 T C -0.286 174.494 174.700 0.133 0.000 1.003 717 T CA -0.597 61.600 62.100 0.161 0.000 0.916 717 T CB -0.500 68.405 68.868 0.061 0.000 1.134 717 T HN 0.041 nan 8.240 nan 0.000 0.530 718 F N 1.314 121.242 119.950 -0.037 0.000 2.470 718 F HA 0.654 5.181 4.527 -0.000 0.000 0.329 718 F C 1.142 176.899 175.800 -0.072 0.000 1.072 718 F CA -1.194 56.758 58.000 -0.080 0.000 0.989 718 F CB 2.180 41.096 39.000 -0.141 0.000 1.193 718 F HN -0.131 nan 8.300 nan 0.000 0.481 719 K N 1.786 122.163 120.400 -0.039 0.000 2.521 719 K HA 0.269 4.589 4.320 -0.000 0.000 0.213 719 K C -0.592 175.984 176.600 -0.040 0.000 1.223 719 K CA 0.317 56.589 56.287 -0.024 0.000 1.013 719 K CB 0.661 33.125 32.500 -0.060 0.000 1.017 719 K HN 0.742 nan 8.250 nan 0.000 0.591 720 K N -0.762 119.615 120.400 -0.038 0.000 2.931 720 K HA 0.267 4.587 4.320 -0.000 0.000 0.292 720 K C -1.918 174.597 176.600 -0.141 0.000 1.077 720 K CA -0.628 55.588 56.287 -0.119 0.000 0.829 720 K CB 1.992 34.408 32.500 -0.139 0.000 1.488 720 K HN -0.202 nan 8.250 nan 0.000 0.358 721 V N 1.345 121.034 119.914 -0.375 0.000 2.707 721 V HA 0.370 4.490 4.120 -0.000 0.000 0.271 721 V C -1.036 174.691 176.094 -0.610 0.000 1.013 721 V CA -0.811 61.136 62.300 -0.588 0.000 0.908 721 V CB 1.427 32.789 31.823 -0.768 0.000 1.051 721 V HN 0.814 nan 8.190 nan 0.000 0.476 722 A N 5.933 128.520 122.820 -0.388 0.000 3.015 722 A HA 0.657 4.977 4.320 -0.000 0.000 0.293 722 A C -0.112 177.378 177.584 -0.156 0.000 1.572 722 A CA -0.058 51.841 52.037 -0.230 0.000 1.274 722 A CB -0.355 18.570 19.000 -0.125 0.000 1.156 722 A HN 0.778 nan 8.150 nan 0.000 0.562 723 I N 1.971 122.468 120.570 -0.122 0.000 2.308 723 I HA 0.126 4.296 4.170 -0.000 0.000 0.293 723 I C 0.114 176.320 176.117 0.149 0.000 1.078 723 I CA 0.418 61.729 61.300 0.019 0.000 1.292 723 I CB 1.159 39.212 38.000 0.088 0.000 1.423 723 I HN 0.377 nan 8.210 nan 0.000 0.493 724 T N 7.519 122.151 114.554 0.129 0.000 3.390 724 T HA 0.208 4.558 4.350 -0.000 0.000 0.351 724 T C -0.041 174.754 174.700 0.157 0.000 1.759 724 T CA -0.469 61.723 62.100 0.154 0.000 1.561 724 T CB -0.341 68.572 68.868 0.074 0.000 1.011 724 T HN 0.354 nan 8.240 nan 0.000 0.689 725 F N 2.234 122.257 119.950 0.122 0.000 2.640 725 F HA 0.176 4.703 4.527 -0.000 0.000 0.329 725 F C 1.316 177.196 175.800 0.133 0.000 1.224 725 F CA 0.335 58.406 58.000 0.118 0.000 1.373 725 F CB 0.261 39.340 39.000 0.131 0.000 1.129 725 F HN 0.475 nan 8.300 nan 0.000 0.610 726 D N -0.233 119.461 120.400 -1.177 0.000 4.082 726 D HA -0.328 4.312 4.640 -0.000 0.000 0.219 726 D C 0.706 176.760 176.300 -0.410 0.000 1.343 726 D CA 3.785 57.141 54.000 -1.074 0.000 2.348 726 D CB -1.331 38.454 40.800 -1.691 0.000 1.236 726 D HN 1.613 nan 8.370 nan 0.000 0.406 727 S N -4.347 111.141 115.700 -0.353 0.000 4.513 727 S HA 0.014 4.484 4.470 -0.000 0.000 0.081 727 S C 0.490 175.029 174.600 -0.102 0.000 0.960 727 S CA 1.031 59.151 58.200 -0.133 0.000 0.886 727 S CB -1.863 61.286 63.200 -0.085 0.000 0.482 727 S HN 0.933 nan 8.310 nan 0.000 0.807 728 S N 0.503 116.122 115.700 -0.136 0.000 3.799 728 S HA 0.578 5.048 4.470 -0.000 0.000 0.170 728 S C 0.196 174.860 174.600 0.107 0.000 0.840 728 S CA 0.348 58.536 58.200 -0.019 0.000 1.025 728 S CB -0.504 62.675 63.200 -0.034 0.000 1.455 728 S HN 1.205 nan 8.310 nan 0.000 0.804 729 V N 3.545 123.594 119.914 0.224 0.000 2.425 729 V HA 0.409 4.529 4.120 -0.000 0.000 0.276 729 V C 0.623 176.947 176.094 0.384 0.000 1.017 729 V CA -0.103 62.395 62.300 0.330 0.000 1.062 729 V CB 0.197 32.293 31.823 0.456 0.000 0.997 729 V HN 0.629 nan 8.190 nan 0.000 0.476 730 S N 6.879 122.738 115.700 0.265 0.000 3.455 730 S HA 0.039 4.509 4.470 -0.000 0.000 0.288 730 S C 0.099 174.888 174.600 0.315 0.000 1.231 730 S CA -0.755 57.609 58.200 0.275 0.000 1.031 730 S CB -0.916 62.394 63.200 0.184 0.000 1.570 730 S HN 0.734 nan 8.310 nan 0.000 0.519 731 W N 7.179 128.603 121.300 0.208 0.000 2.700 731 W HA -0.072 4.588 4.660 -0.000 0.000 0.320 731 W C -1.617 174.931 176.519 0.048 0.000 0.942 731 W CA -0.873 56.547 57.345 0.126 0.000 1.117 731 W CB 0.476 29.998 29.460 0.103 0.000 1.086 731 W HN 0.494 nan 8.180 nan 0.000 0.541 732 P HA 0.066 nan 4.420 nan 0.000 0.236 732 P C 1.025 178.299 177.300 -0.043 0.000 1.177 732 P CA 2.009 64.691 63.100 -0.697 0.000 0.773 732 P CB 0.401 31.675 31.700 -0.710 0.000 0.878 733 G N -0.110 108.692 108.800 0.004 0.000 4.244 733 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.222 733 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.222 733 G C 0.108 175.038 174.900 0.050 0.000 1.665 733 G CA -0.305 44.855 45.100 0.099 0.000 1.315 733 G HN 0.300 nan 8.290 nan 0.000 0.637 734 N N 2.727 121.454 118.700 0.044 0.000 1.960 734 N HA 0.051 4.791 4.740 -0.000 0.000 0.299 734 N C 0.002 175.526 175.510 0.022 0.000 1.267 734 N CA 1.382 54.455 53.050 0.038 0.000 0.802 734 N CB 0.368 38.879 38.487 0.040 0.000 1.031 734 N HN 0.778 nan 8.380 nan 0.000 0.490 735 D N 1.863 122.284 120.400 0.034 0.000 2.398 735 D HA 0.021 4.661 4.640 -0.000 0.000 0.250 735 D C 0.529 176.849 176.300 0.032 0.000 1.287 735 D CA -0.180 53.841 54.000 0.035 0.000 0.992 735 D CB 0.406 41.230 40.800 0.040 0.000 1.071 735 D HN 0.217 nan 8.370 nan 0.000 0.514 736 R N 2.965 123.478 120.500 0.021 0.000 2.404 736 R HA 0.314 4.654 4.340 -0.000 0.000 0.237 736 R C 0.145 176.473 176.300 0.045 0.000 0.907 736 R CA -0.190 55.927 56.100 0.029 0.000 1.063 736 R CB 0.085 30.391 30.300 0.009 0.000 1.134 736 R HN 0.439 nan 8.270 nan 0.000 0.529 737 L N 0.064 121.319 121.223 0.054 0.000 2.267 737 L HA 0.408 4.748 4.340 -0.000 0.000 0.264 737 L C 1.131 178.060 176.870 0.097 0.000 1.021 737 L CA -0.762 54.130 54.840 0.088 0.000 0.861 737 L CB 1.358 43.481 42.059 0.106 0.000 1.443 737 L HN -0.169 nan 8.230 nan 0.000 0.475 738 L N -1.029 120.271 121.223 0.127 0.000 2.375 738 L HA 0.072 4.412 4.340 -0.000 0.000 0.215 738 L C 0.990 177.917 176.870 0.095 0.000 1.108 738 L CA 0.586 55.510 54.840 0.140 0.000 0.830 738 L CB -0.506 41.696 42.059 0.237 0.000 0.959 738 L HN 0.714 nan 8.230 nan 0.000 0.457 739 T N -4.850 109.751 114.554 0.078 0.000 3.741 739 T HA 0.339 4.689 4.350 -0.000 0.000 0.242 739 T C -1.917 172.823 174.700 0.065 0.000 1.042 739 T CA -1.343 60.780 62.100 0.039 0.000 1.278 739 T CB 0.394 69.255 68.868 -0.012 0.000 0.994 739 T HN -0.197 nan 8.240 nan 0.000 0.594 740 P HA -0.284 nan 4.420 nan 0.000 0.233 740 P C 1.195 178.560 177.300 0.108 0.000 1.141 740 P CA 1.671 64.818 63.100 0.078 0.000 0.951 740 P CB -0.069 31.668 31.700 0.061 0.000 0.778 741 N N -0.983 117.769 118.700 0.088 0.000 2.453 741 N HA -0.088 4.652 4.740 -0.000 0.000 0.183 741 N C 0.186 175.746 175.510 0.083 0.000 1.041 741 N CA 0.771 53.876 53.050 0.092 0.000 0.900 741 N CB 0.002 38.517 38.487 0.048 0.000 0.961 741 N HN 0.476 nan 8.380 nan 0.000 0.443 742 E N -1.578 118.665 120.200 0.071 0.000 2.413 742 E HA 0.253 4.603 4.350 -0.000 0.000 0.277 742 E C -1.075 175.580 176.600 0.092 0.000 0.958 742 E CA -0.694 55.651 56.400 -0.092 0.000 0.779 742 E CB 0.798 30.375 29.700 -0.206 0.000 1.278 742 E HN 0.110 nan 8.360 nan 0.000 0.456 743 F N -0.574 119.414 119.950 0.064 0.000 2.850 743 F HA 0.445 4.972 4.527 -0.000 0.000 0.329 743 F C 0.428 176.318 175.800 0.151 0.000 1.182 743 F CA -0.984 57.107 58.000 0.152 0.000 1.270 743 F CB -0.201 38.972 39.000 0.289 0.000 0.979 743 F HN 0.401 nan 8.300 nan 0.000 0.506 744 E N 0.961 121.130 120.200 -0.053 0.000 3.771 744 E HA -0.289 4.061 4.350 -0.000 0.000 0.311 744 E C 0.510 177.120 176.600 0.017 0.000 1.577 744 E CA 2.409 58.782 56.400 -0.044 0.000 2.271 744 E CB -0.386 29.326 29.700 0.018 0.000 1.960 744 E HN 0.529 nan 8.360 nan 0.000 0.416 745 I N -0.754 119.853 120.570 0.062 0.000 3.855 745 I HA 0.000 4.170 4.170 -0.000 0.000 0.401 745 I C -1.275 174.882 176.117 0.066 0.000 0.804 745 I CA 0.097 61.438 61.300 0.068 0.000 1.198 745 I CB 0.300 38.286 38.000 -0.024 0.000 3.294 745 I HN 0.504 nan 8.210 nan 0.000 0.933 746 K N 0.788 121.237 120.400 0.081 0.000 2.173 746 K HA 0.224 4.544 4.320 -0.000 0.000 0.323 746 K C -0.420 176.236 176.600 0.094 0.000 1.727 746 K CA -0.691 55.660 56.287 0.107 0.000 0.943 746 K CB 0.021 32.592 32.500 0.118 0.000 1.403 746 K HN -0.124 nan 8.250 nan 0.000 0.432 747 R N 1.019 121.576 120.500 0.095 0.000 3.151 747 R HA 0.147 4.487 4.340 -0.000 0.000 0.283 747 R C 0.758 177.108 176.300 0.084 0.000 1.140 747 R CA 1.387 57.529 56.100 0.070 0.000 1.162 747 R CB 0.368 30.714 30.300 0.077 0.000 1.121 747 R HN 0.794 nan 8.270 nan 0.000 0.552 748 S N -1.306 114.436 115.700 0.070 0.000 3.064 748 S HA 0.096 4.566 4.470 -0.000 0.000 0.170 748 S C 1.498 176.148 174.600 0.082 0.000 0.713 748 S CA -0.332 57.912 58.200 0.072 0.000 0.891 748 S CB -0.189 63.041 63.200 0.050 0.000 0.772 748 S HN 0.360 nan 8.310 nan 0.000 0.701 749 V N 1.754 121.711 119.914 0.072 0.000 3.359 749 V HA 0.198 4.318 4.120 -0.000 0.000 0.245 749 V C 1.416 177.563 176.094 0.088 0.000 1.247 749 V CA 0.777 63.121 62.300 0.074 0.000 1.145 749 V CB 0.053 31.909 31.823 0.056 0.000 0.906 749 V HN 0.550 nan 8.190 nan 0.000 0.464 750 D N 1.255 121.703 120.400 0.080 0.000 2.352 750 D HA 0.063 4.703 4.640 -0.000 0.000 0.232 750 D C 0.793 177.204 176.300 0.184 0.000 1.055 750 D CA 0.889 54.946 54.000 0.095 0.000 0.891 750 D CB 0.379 41.204 40.800 0.042 0.000 0.897 750 D HN 0.473 nan 8.370 nan 0.000 0.529 751 G N 0.725 109.658 108.800 0.221 0.000 3.298 751 G HA2 0.071 4.031 3.960 -0.000 0.000 0.303 751 G HA3 0.071 4.031 3.960 -0.000 0.000 0.303 751 G C 0.246 175.360 174.900 0.357 0.000 1.668 751 G CA -0.341 45.043 45.100 0.474 0.000 0.733 751 G HN -0.041 nan 8.290 nan 0.000 0.453 752 E N 0.914 121.239 120.200 0.208 0.000 2.476 752 E HA 0.077 4.427 4.350 -0.000 0.000 0.199 752 E C 2.097 178.714 176.600 0.028 0.000 1.021 752 E CA 0.542 57.010 56.400 0.113 0.000 0.907 752 E CB 0.818 30.561 29.700 0.070 0.000 0.974 752 E HN 0.560 nan 8.360 nan 0.000 0.489 753 G N 0.612 109.353 108.800 -0.099 0.000 2.394 753 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.214 753 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.214 753 G C 0.653 175.399 174.900 -0.258 0.000 1.176 753 G CA 0.269 45.181 45.100 -0.312 0.000 0.786 753 G HN 0.167 nan 8.290 nan 0.000 0.533 754 Y N 0.790 121.108 120.300 0.029 0.000 2.994 754 Y HA 0.430 4.980 4.550 -0.000 0.000 0.393 754 Y C 0.784 176.711 175.900 0.046 0.000 1.118 754 Y CA -1.309 56.814 58.100 0.038 0.000 1.906 754 Y CB -0.992 37.501 38.460 0.055 0.000 1.925 754 Y HN 0.156 nan 8.280 nan 0.000 0.446 755 N N -0.405 118.386 118.700 0.151 0.000 2.471 755 N HA 0.046 4.786 4.740 -0.000 0.000 0.270 755 N C -0.565 174.977 175.510 0.054 0.000 1.490 755 N CA -0.169 52.956 53.050 0.124 0.000 0.850 755 N CB 1.229 39.796 38.487 0.133 0.000 1.411 755 N HN 0.207 nan 8.380 nan 0.000 0.488 756 V N 1.632 121.540 119.914 -0.009 0.000 3.005 756 V HA -0.058 4.062 4.120 -0.000 0.000 0.287 756 V C 0.966 177.012 176.094 -0.079 0.000 1.344 756 V CA 2.036 64.280 62.300 -0.093 0.000 1.410 756 V CB 0.352 32.044 31.823 -0.219 0.000 0.913 756 V HN 0.635 nan 8.190 nan 0.000 0.525 757 A N 2.907 125.682 122.820 -0.075 0.000 3.845 757 A HA -0.147 4.173 4.320 -0.000 0.000 0.201 757 A C 0.860 178.466 177.584 0.035 0.000 1.302 757 A CA 1.653 53.673 52.037 -0.029 0.000 1.172 757 A CB -2.194 16.805 19.000 -0.002 0.000 1.055 757 A HN 1.780 nan 8.150 nan 0.000 0.774 758 Q N -4.002 115.815 119.800 0.027 0.000 2.281 758 Q HA -0.360 3.980 4.340 -0.000 0.000 0.148 758 Q C 1.192 177.246 176.000 0.089 0.000 1.069 758 Q CA 3.260 59.094 55.803 0.051 0.000 1.297 758 Q CB -2.715 26.056 28.738 0.055 0.000 1.268 758 Q HN 1.960 nan 8.270 nan 0.000 0.952 759 C N -0.453 118.919 119.300 0.121 0.000 1.709 759 C HA 0.566 5.026 4.460 -0.000 0.000 0.229 759 C C 1.232 176.335 174.990 0.189 0.000 3.002 759 C CA 0.091 59.215 59.018 0.176 0.000 1.897 759 C CB -0.526 27.359 27.740 0.241 0.000 2.506 759 C HN 0.625 nan 8.230 nan 0.000 0.288 760 N N -0.391 118.467 118.700 0.262 0.000 2.380 760 N HA 0.334 5.074 4.740 -0.000 0.000 0.255 760 N C -0.586 175.053 175.510 0.216 0.000 1.158 760 N CA -0.084 53.115 53.050 0.248 0.000 0.878 760 N CB -0.207 38.464 38.487 0.307 0.000 1.138 760 N HN 0.723 nan 8.380 nan 0.000 0.509 761 M N 1.088 120.808 119.600 0.199 0.000 2.423 761 M HA 0.471 4.951 4.480 -0.000 0.000 0.335 761 M C -0.867 175.525 176.300 0.154 0.000 1.177 761 M CA -0.440 54.968 55.300 0.180 0.000 1.038 761 M CB 1.608 34.336 32.600 0.213 0.000 1.641 761 M HN 0.223 nan 8.290 nan 0.000 0.455 762 T N 1.219 115.903 114.554 0.216 0.000 2.756 762 T HA 0.418 4.768 4.350 -0.000 0.000 0.290 762 T C 0.638 175.534 174.700 0.327 0.000 0.985 762 T CA -0.875 61.365 62.100 0.234 0.000 0.955 762 T CB 0.720 69.732 68.868 0.240 0.000 0.930 762 T HN 0.824 nan 8.240 nan 0.000 0.451 763 K N 1.744 122.250 120.400 0.177 0.000 2.227 763 K HA -0.274 4.046 4.320 -0.000 0.000 0.208 763 K C 1.307 178.266 176.600 0.599 0.000 1.045 763 K CA 2.272 58.718 56.287 0.265 0.000 0.931 763 K CB -0.265 32.315 32.500 0.134 0.000 0.721 763 K HN 0.627 nan 8.250 nan 0.000 0.469 764 D N -0.104 120.545 120.400 0.415 0.000 2.157 764 D HA -0.211 4.429 4.640 -0.000 0.000 0.197 764 D C 1.228 177.784 176.300 0.426 0.000 0.995 764 D CA 1.045 55.272 54.000 0.378 0.000 0.860 764 D CB -0.639 40.370 40.800 0.347 0.000 1.016 764 D HN 0.318 nan 8.370 nan 0.000 0.452 765 W N 0.411 121.895 121.300 0.307 0.000 1.086 765 W HA -0.079 4.581 4.660 -0.000 0.000 0.370 765 W C 1.528 178.115 176.519 0.114 0.000 0.749 765 W CA 1.096 58.562 57.345 0.202 0.000 0.948 765 W CB -0.451 29.135 29.460 0.209 0.000 1.489 765 W HN 0.243 nan 8.180 nan 0.000 0.614 766 F N -0.622 119.047 119.950 -0.469 0.000 2.621 766 F HA -0.454 4.073 4.527 -0.000 0.000 0.611 766 F C 1.016 176.527 175.800 -0.481 0.000 0.495 766 F CA 2.279 60.053 58.000 -0.378 0.000 0.699 766 F CB -2.080 36.896 39.000 -0.040 0.000 1.600 766 F HN 0.099 nan 8.300 nan 0.000 0.255 767 L N 0.994 121.103 121.223 -1.856 0.000 2.179 767 L HA 0.183 4.523 4.340 -0.000 0.000 0.208 767 L C 2.299 178.650 176.870 -0.864 0.000 1.096 767 L CA 1.602 55.615 54.840 -1.379 0.000 0.779 767 L CB -0.660 40.623 42.059 -1.294 0.000 0.922 767 L HN 0.323 nan 8.230 nan 0.000 0.443 768 V N -0.369 118.912 119.914 -1.056 0.000 3.330 768 V HA -0.157 3.963 4.120 -0.000 0.000 0.273 768 V C 0.668 176.492 176.094 -0.449 0.000 1.179 768 V CA 0.723 62.609 62.300 -0.689 0.000 1.174 768 V CB -0.693 30.690 31.823 -0.734 0.000 0.794 768 V HN 0.442 nan 8.190 nan 0.000 0.527 769 Q N -0.713 118.780 119.800 -0.513 0.000 2.842 769 Q HA 0.500 4.840 4.340 -0.000 0.000 0.323 769 Q C 0.040 175.886 176.000 -0.257 0.000 1.111 769 Q CA -0.040 55.672 55.803 -0.151 0.000 1.047 769 Q CB 1.241 30.024 28.738 0.075 0.000 1.280 769 Q HN 0.382 nan 8.270 nan 0.000 0.475 770 M N -0.981 118.336 119.600 -0.470 0.000 4.925 770 M HA 0.031 4.511 4.480 -0.000 0.000 0.598 770 M C -1.341 174.641 176.300 -0.530 0.000 2.026 770 M CA 0.286 55.251 55.300 -0.558 0.000 0.675 770 M CB 0.185 32.484 32.600 -0.502 0.000 2.867 770 M HN 0.262 nan 8.290 nan 0.000 0.728 771 L N 0.376 121.343 121.223 -0.427 0.000 2.324 771 L HA 0.730 5.070 4.340 -0.000 0.000 0.274 771 L C 0.640 177.356 176.870 -0.256 0.000 1.012 771 L CA 0.562 55.203 54.840 -0.332 0.000 0.859 771 L CB 1.070 42.953 42.059 -0.295 0.000 1.224 771 L HN 0.435 nan 8.230 nan 0.000 0.429 772 A N 2.305 124.979 122.820 -0.243 0.000 3.667 772 A HA -0.185 4.135 4.320 -0.000 0.000 0.201 772 A C 1.079 178.516 177.584 -0.244 0.000 0.918 772 A CA 0.340 52.259 52.037 -0.196 0.000 2.020 772 A CB -1.188 17.718 19.000 -0.157 0.000 0.646 772 A HN 0.636 nan 8.150 nan 0.000 0.660 773 N N -1.371 117.112 118.700 -0.363 0.000 2.335 773 N HA 0.144 4.884 4.740 -0.000 0.000 0.197 773 N C 0.816 175.933 175.510 -0.656 0.000 1.045 773 N CA 1.735 54.459 53.050 -0.543 0.000 0.928 773 N CB -0.132 37.844 38.487 -0.852 0.000 1.118 773 N HN 0.529 nan 8.380 nan 0.000 0.471 774 Y N 1.288 121.335 120.300 -0.422 0.000 2.636 774 Y HA 0.245 4.795 4.550 -0.000 0.000 0.260 774 Y C 0.132 175.789 175.900 -0.406 0.000 1.177 774 Y CA -0.818 57.023 58.100 -0.432 0.000 1.209 774 Y CB -0.800 37.275 38.460 -0.641 0.000 1.166 774 Y HN 0.205 nan 8.280 nan 0.000 0.531 775 N N 2.168 120.715 118.700 -0.254 0.000 2.759 775 N HA -0.225 4.515 4.740 -0.000 0.000 0.277 775 N C -0.076 175.307 175.510 -0.211 0.000 0.982 775 N CA 0.596 53.517 53.050 -0.215 0.000 0.833 775 N CB -0.771 37.637 38.487 -0.133 0.000 0.927 775 N HN 0.601 nan 8.380 nan 0.000 0.573 776 I N -2.853 117.501 120.570 -0.361 0.000 4.710 776 I HA 0.752 4.922 4.170 -0.000 0.000 0.168 776 I C 1.643 177.516 176.117 -0.406 0.000 0.791 776 I CA -0.228 60.859 61.300 -0.354 0.000 1.936 776 I CB 0.493 38.163 38.000 -0.551 0.000 1.185 776 I HN 0.226 nan 8.210 nan 0.000 0.388 777 G N 0.381 109.054 108.800 -0.211 0.000 1.819 777 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.217 777 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.217 777 G C 0.017 174.951 174.900 0.058 0.000 1.982 777 G CA 0.047 45.102 45.100 -0.074 0.000 1.468 777 G HN 0.680 nan 8.290 nan 0.000 0.474 778 Y N 2.246 122.669 120.300 0.206 0.000 2.496 778 Y HA 0.539 5.089 4.550 -0.000 0.000 0.313 778 Y C 2.282 178.263 175.900 0.134 0.000 1.184 778 Y CA 0.501 58.683 58.100 0.137 0.000 1.275 778 Y CB -0.081 38.424 38.460 0.075 0.000 1.103 778 Y HN 0.260 nan 8.280 nan 0.000 0.513 779 Q N 0.768 120.718 119.800 0.250 0.000 2.103 779 Q HA 0.255 4.595 4.340 -0.000 0.000 0.193 779 Q C 1.670 177.803 176.000 0.223 0.000 0.986 779 Q CA 1.567 57.505 55.803 0.224 0.000 0.834 779 Q CB -0.089 28.779 28.738 0.217 0.000 0.915 779 Q HN 0.586 nan 8.270 nan 0.000 0.483 780 G N -2.353 106.632 108.800 0.307 0.000 4.452 780 G HA2 0.035 3.995 3.960 -0.000 0.000 0.157 780 G HA3 0.035 3.995 3.960 -0.000 0.000 0.157 780 G C -0.236 174.871 174.900 0.344 0.000 0.823 780 G CA -0.335 44.914 45.100 0.248 0.000 0.808 780 G HN 0.297 nan 8.290 nan 0.000 0.443 781 F N 0.628 120.576 119.950 -0.002 0.000 2.423 781 F HA -0.169 4.358 4.527 -0.000 0.000 0.403 781 F C 0.341 176.006 175.800 -0.225 0.000 1.142 781 F CA -0.428 57.445 58.000 -0.212 0.000 1.321 781 F CB -1.622 37.266 39.000 -0.186 0.000 1.934 781 F HN 0.469 nan 8.300 nan 0.000 0.782 782 Y N 0.974 121.208 120.300 -0.110 0.000 2.304 782 Y HA 0.504 5.054 4.550 -0.000 0.000 0.327 782 Y C 0.426 176.176 175.900 -0.250 0.000 1.209 782 Y CA -2.098 55.919 58.100 -0.139 0.000 1.299 782 Y CB 0.421 38.809 38.460 -0.120 0.000 1.249 782 Y HN 0.313 nan 8.280 nan 0.000 0.519 783 I N 6.193 126.717 120.570 -0.075 0.000 2.872 783 I HA 0.036 4.206 4.170 -0.000 0.000 0.287 783 I C -1.986 174.043 176.117 -0.147 0.000 1.197 783 I CA -1.635 59.587 61.300 -0.130 0.000 1.390 783 I CB 0.254 38.257 38.000 0.006 0.000 1.400 783 I HN 0.525 nan 8.210 nan 0.000 0.544 784 P HA -0.072 nan 4.420 nan 0.000 0.261 784 P C -1.064 176.209 177.300 -0.045 0.000 1.173 784 P CA 0.280 63.176 63.100 -0.339 0.000 0.760 784 P CB 0.194 31.472 31.700 -0.704 0.000 0.783 785 E N 1.127 121.291 120.200 -0.060 0.000 2.354 785 E HA 0.150 4.500 4.350 -0.000 0.000 0.269 785 E C 0.503 177.067 176.600 -0.060 0.000 1.036 785 E CA -0.661 55.623 56.400 -0.194 0.000 0.876 785 E CB 0.096 29.329 29.700 -0.778 0.000 1.009 785 E HN 0.202 nan 8.360 nan 0.000 0.416 786 S N 1.672 117.496 115.700 0.207 0.000 2.977 786 S HA -0.101 4.369 4.470 -0.000 0.000 0.241 786 S C -0.350 174.542 174.600 0.487 0.000 0.994 786 S CA 0.513 58.910 58.200 0.328 0.000 1.054 786 S CB -0.598 62.778 63.200 0.293 0.000 0.818 786 S HN 0.588 nan 8.310 nan 0.000 0.534 787 Y N -3.380 116.986 120.300 0.110 0.000 2.922 787 Y HA 0.575 5.125 4.550 -0.000 0.000 0.294 787 Y C 0.594 176.560 175.900 0.111 0.000 0.979 787 Y CA -0.798 57.357 58.100 0.092 0.000 1.228 787 Y CB -0.206 38.292 38.460 0.064 0.000 1.425 787 Y HN -0.015 nan 8.280 nan 0.000 0.588 788 K N 0.873 121.228 120.400 -0.075 0.000 2.582 788 K HA 0.223 4.543 4.320 -0.000 0.000 0.204 788 K C -1.189 175.543 176.600 0.221 0.000 1.221 788 K CA 0.280 56.578 56.287 0.018 0.000 1.048 788 K CB 0.885 33.342 32.500 -0.072 0.000 1.011 788 K HN 0.437 nan 8.250 nan 0.000 0.597 789 D N -0.140 120.400 120.400 0.234 0.000 2.457 789 D HA 0.466 5.106 4.640 -0.000 0.000 0.240 789 D C -0.895 175.611 176.300 0.342 0.000 1.041 789 D CA -0.609 53.645 54.000 0.425 0.000 0.861 789 D CB 0.982 41.934 40.800 0.252 0.000 1.394 789 D HN -0.193 nan 8.370 nan 0.000 0.473 790 R N 4.110 124.848 120.500 0.397 0.000 2.867 790 R HA 0.128 4.468 4.340 -0.000 0.000 0.288 790 R C 0.624 177.102 176.300 0.298 0.000 1.360 790 R CA -0.451 55.815 56.100 0.277 0.000 1.042 790 R CB 0.526 30.943 30.300 0.195 0.000 1.287 790 R HN 0.842 nan 8.270 nan 0.000 0.404 791 M N 1.991 121.730 119.600 0.232 0.000 2.894 791 M HA -0.358 4.122 4.480 -0.000 0.000 0.268 791 M C 0.773 177.139 176.300 0.110 0.000 1.054 791 M CA 2.394 57.760 55.300 0.110 0.000 1.062 791 M CB -0.284 32.296 32.600 -0.034 0.000 1.242 791 M HN 0.588 nan 8.290 nan 0.000 0.508 792 Y N 0.742 121.081 120.300 0.066 0.000 2.081 792 Y HA -0.198 4.352 4.550 -0.000 0.000 0.280 792 Y C 2.293 178.238 175.900 0.075 0.000 1.163 792 Y CA 1.979 60.106 58.100 0.046 0.000 1.135 792 Y CB -0.803 37.669 38.460 0.020 0.000 0.970 792 Y HN 0.380 nan 8.280 nan 0.000 0.498 793 S N 0.644 116.503 115.700 0.264 0.000 3.237 793 S HA 0.048 4.518 4.470 -0.000 0.000 0.255 793 S C -0.030 174.717 174.600 0.245 0.000 1.127 793 S CA 0.681 58.984 58.200 0.172 0.000 1.254 793 S CB -1.347 61.904 63.200 0.086 0.000 1.022 793 S HN 0.529 nan 8.310 nan 0.000 0.477 794 F N -1.269 118.742 119.950 0.103 0.000 2.311 794 F HA -0.255 4.272 4.527 -0.000 0.000 0.544 794 F C 0.326 176.324 175.800 0.330 0.000 0.487 794 F CA -0.150 57.963 58.000 0.187 0.000 0.872 794 F CB -0.966 38.105 39.000 0.117 0.000 3.398 794 F HN 0.218 nan 8.300 nan 0.000 0.207 795 F N 1.507 121.845 119.950 0.646 0.000 2.098 795 F HA 0.266 4.793 4.527 -0.000 0.000 0.251 795 F C 1.963 177.896 175.800 0.223 0.000 1.114 795 F CA 2.266 60.547 58.000 0.469 0.000 1.264 795 F CB -0.238 39.153 39.000 0.651 0.000 1.704 795 F HN 0.427 nan 8.300 nan 0.000 0.478 796 R N -0.490 119.851 120.500 -0.266 0.000 3.785 796 R HA -0.241 4.099 4.340 -0.000 0.000 0.476 796 R C -1.456 174.604 176.300 -0.399 0.000 0.905 796 R CA 1.420 57.380 56.100 -0.235 0.000 1.412 796 R CB -2.185 28.102 30.300 -0.021 0.000 2.077 796 R HN 0.852 nan 8.270 nan 0.000 0.504 797 N N -1.133 117.235 118.700 -0.553 0.000 2.478 797 N HA 0.514 5.254 4.740 -0.000 0.000 0.291 797 N C -1.164 174.190 175.510 -0.259 0.000 1.090 797 N CA -0.533 52.306 53.050 -0.351 0.000 0.911 797 N CB 1.814 40.146 38.487 -0.259 0.000 1.546 797 N HN 0.047 nan 8.380 nan 0.000 0.500 798 F N 1.657 121.426 119.950 -0.301 0.000 2.656 798 F HA 0.073 4.600 4.527 -0.000 0.000 0.317 798 F C -1.895 173.912 175.800 0.010 0.000 1.016 798 F CA -0.467 57.477 58.000 -0.092 0.000 1.097 798 F CB 1.193 40.201 39.000 0.014 0.000 1.360 798 F HN 0.510 nan 8.300 nan 0.000 0.593 799 Q N 6.169 126.176 119.800 0.346 0.000 3.793 799 Q HA 0.221 4.561 4.340 -0.000 0.000 0.167 799 Q C -2.878 173.218 176.000 0.159 0.000 0.828 799 Q CA -1.514 54.477 55.803 0.314 0.000 0.847 799 Q CB 1.096 29.944 28.738 0.183 0.000 1.498 799 Q HN 0.306 nan 8.270 nan 0.000 0.471 800 P HA -0.122 nan 4.420 nan 0.000 0.286 800 P C 0.013 177.346 177.300 0.055 0.000 1.688 800 P CA 0.640 63.788 63.100 0.080 0.000 1.390 800 P CB 0.322 32.136 31.700 0.190 0.000 0.829 801 M N -3.572 116.066 119.600 0.063 0.000 2.356 801 M HA 0.451 4.931 4.480 -0.000 0.000 0.215 801 M C -0.979 175.544 176.300 0.372 0.000 0.978 801 M CA -0.470 54.932 55.300 0.170 0.000 0.972 801 M CB 1.661 34.314 32.600 0.089 0.000 2.529 801 M HN 0.061 nan 8.290 nan 0.000 0.447 802 S N 2.504 118.375 115.700 0.285 0.000 2.593 802 S HA 0.995 5.465 4.470 -0.000 0.000 0.297 802 S C -0.471 174.189 174.600 0.101 0.000 1.112 802 S CA -0.377 57.960 58.200 0.229 0.000 1.043 802 S CB 1.490 64.779 63.200 0.149 0.000 1.054 802 S HN 1.015 nan 8.310 nan 0.000 0.516 803 R N 1.666 122.123 120.500 -0.071 0.000 3.014 803 R HA 0.605 4.945 4.340 -0.000 0.000 0.262 803 R C -1.669 174.524 176.300 -0.178 0.000 1.066 803 R CA -0.850 55.150 56.100 -0.168 0.000 0.939 803 R CB 0.405 30.486 30.300 -0.365 0.000 1.372 803 R HN 0.554 nan 8.270 nan 0.000 0.431 804 Q N -0.555 119.138 119.800 -0.180 0.000 2.511 804 Q HA 0.650 4.990 4.340 -0.000 0.000 0.289 804 Q C -0.803 175.114 176.000 -0.138 0.000 1.021 804 Q CA -1.159 54.566 55.803 -0.131 0.000 0.785 804 Q CB 2.837 31.532 28.738 -0.070 0.000 1.472 804 Q HN 0.485 nan 8.270 nan 0.000 0.411 805 V N -1.836 118.014 119.914 -0.106 0.000 3.856 805 V HA 0.744 4.864 4.120 -0.000 0.000 0.302 805 V C -0.086 175.950 176.094 -0.096 0.000 1.389 805 V CA -0.776 61.461 62.300 -0.105 0.000 0.964 805 V CB 0.785 32.554 31.823 -0.089 0.000 1.227 805 V HN 0.684 nan 8.190 nan 0.000 0.474 806 V N -2.542 117.302 119.914 -0.116 0.000 3.103 806 V HA 0.672 4.792 4.120 -0.000 0.000 0.318 806 V C -0.298 175.800 176.094 0.006 0.000 1.114 806 V CA -0.357 61.881 62.300 -0.105 0.000 1.020 806 V CB 1.734 33.333 31.823 -0.374 0.000 1.085 806 V HN 0.752 nan 8.190 nan 0.000 0.446 807 D N 1.110 121.588 120.400 0.129 0.000 3.032 807 D HA 0.114 4.754 4.640 -0.000 0.000 0.241 807 D C 1.224 177.650 176.300 0.210 0.000 1.196 807 D CA 0.469 54.545 54.000 0.127 0.000 0.927 807 D CB -0.498 40.338 40.800 0.060 0.000 1.129 807 D HN 0.720 nan 8.370 nan 0.000 0.458 808 D N -0.513 119.970 120.400 0.138 0.000 2.286 808 D HA -0.229 4.411 4.640 -0.000 0.000 0.195 808 D C 1.410 177.823 176.300 0.189 0.000 1.012 808 D CA 1.649 55.751 54.000 0.170 0.000 0.901 808 D CB 0.501 41.355 40.800 0.089 0.000 0.903 808 D HN 0.425 nan 8.370 nan 0.000 0.451 809 T N -1.571 113.063 114.554 0.133 0.000 2.942 809 T HA -0.051 4.299 4.350 -0.000 0.000 0.265 809 T C 0.842 175.599 174.700 0.095 0.000 1.062 809 T CA 0.568 62.727 62.100 0.098 0.000 1.139 809 T CB 0.201 69.109 68.868 0.067 0.000 0.883 809 T HN 0.085 nan 8.240 nan 0.000 0.468 810 K N 0.322 120.790 120.400 0.114 0.000 2.803 810 K HA 0.416 4.736 4.320 -0.000 0.000 0.229 810 K C -1.969 174.681 176.600 0.083 0.000 1.084 810 K CA -0.484 55.849 56.287 0.078 0.000 1.063 810 K CB 1.031 33.545 32.500 0.022 0.000 1.254 810 K HN 0.201 nan 8.250 nan 0.000 0.551 811 Y N 1.942 122.289 120.300 0.079 0.000 2.364 811 Y HA 0.240 4.790 4.550 -0.000 0.000 0.340 811 Y C 1.238 177.191 175.900 0.089 0.000 0.975 811 Y CA -0.563 57.614 58.100 0.128 0.000 1.089 811 Y CB 1.511 40.174 38.460 0.337 0.000 1.192 811 Y HN 0.310 nan 8.280 nan 0.000 0.454 812 K N 1.738 122.208 120.400 0.118 0.000 1.994 812 K HA -0.206 4.114 4.320 -0.000 0.000 0.229 812 K C 0.662 177.397 176.600 0.224 0.000 1.007 812 K CA 2.431 58.798 56.287 0.132 0.000 1.072 812 K CB -0.432 32.120 32.500 0.088 0.000 0.735 812 K HN 0.971 nan 8.250 nan 0.000 0.461 813 D N -0.711 119.867 120.400 0.297 0.000 1.821 813 D HA -0.199 4.441 4.640 -0.000 0.000 0.307 813 D C 0.241 176.698 176.300 0.263 0.000 1.054 813 D CA 0.313 54.452 54.000 0.232 0.000 0.832 813 D CB -1.367 39.559 40.800 0.210 0.000 1.150 813 D HN 0.458 nan 8.370 nan 0.000 0.407 814 Y N 0.229 120.613 120.300 0.141 0.000 2.583 814 Y HA -0.226 4.324 4.550 -0.000 0.000 0.122 814 Y C -0.102 175.815 175.900 0.029 0.000 1.728 814 Y CA 0.220 58.346 58.100 0.043 0.000 1.356 814 Y CB -0.835 37.490 38.460 -0.224 0.000 1.995 814 Y HN 0.286 nan 8.280 nan 0.000 0.268 815 Q N 4.511 124.220 119.800 -0.152 0.000 2.201 815 Q HA 0.374 4.714 4.340 -0.000 0.000 0.236 815 Q C -0.225 175.605 176.000 -0.283 0.000 0.857 815 Q CA 0.754 56.377 55.803 -0.300 0.000 1.025 815 Q CB 0.012 28.687 28.738 -0.106 0.000 1.124 815 Q HN 0.845 nan 8.270 nan 0.000 0.473 816 Q N -2.844 116.755 119.800 -0.336 0.000 0.383 816 Q HA -0.066 4.274 4.340 -0.000 0.000 0.249 816 Q C -1.241 174.910 176.000 0.251 0.000 1.090 816 Q CA 0.500 56.366 55.803 0.105 0.000 0.327 816 Q CB -0.946 27.771 28.738 -0.036 0.000 5.489 816 Q HN 0.170 nan 8.270 nan 0.000 0.294 817 V N -3.110 116.924 119.914 0.199 0.000 3.130 817 V HA 1.059 5.179 4.120 -0.000 0.000 0.308 817 V C -0.329 175.828 176.094 0.104 0.000 1.413 817 V CA -0.309 62.088 62.300 0.162 0.000 1.053 817 V CB 1.897 33.831 31.823 0.185 0.000 1.075 817 V HN 1.361 nan 8.190 nan 0.000 0.465 818 G N -0.808 108.040 108.800 0.081 0.000 2.732 818 G HA2 0.602 4.562 3.960 -0.000 0.000 0.296 818 G HA3 0.602 4.562 3.960 -0.000 0.000 0.296 818 G C -0.498 174.377 174.900 -0.041 0.000 1.448 818 G CA 0.065 45.169 45.100 0.007 0.000 0.911 818 G HN 1.666 nan 8.290 nan 0.000 0.528 819 I N 0.611 121.120 120.570 -0.102 0.000 3.419 819 I HA 0.195 4.365 4.170 -0.000 0.000 0.286 819 I C 1.768 177.834 176.117 -0.085 0.000 1.268 819 I CA 0.613 61.845 61.300 -0.113 0.000 1.414 819 I CB -0.210 37.701 38.000 -0.148 0.000 1.074 819 I HN 0.456 nan 8.210 nan 0.000 0.457 820 L N 0.630 121.768 121.223 -0.143 0.000 1.961 820 L HA -0.145 4.195 4.340 -0.000 0.000 0.210 820 L C 2.136 178.941 176.870 -0.108 0.000 1.072 820 L CA 1.846 56.613 54.840 -0.121 0.000 0.749 820 L CB -1.908 39.978 42.059 -0.289 0.000 0.889 820 L HN 0.279 nan 8.230 nan 0.000 0.432 821 H N -0.809 118.235 119.070 -0.044 0.000 2.568 821 H HA 0.060 4.616 4.556 -0.000 0.000 0.275 821 H C 0.681 175.900 175.328 -0.182 0.000 1.028 821 H CA -0.216 55.772 56.048 -0.100 0.000 1.173 821 H CB -0.195 29.519 29.762 -0.081 0.000 1.335 821 H HN 0.394 nan 8.280 nan 0.000 0.614 822 Q N 1.576 121.345 119.800 -0.052 0.000 2.235 822 Q HA 0.192 4.532 4.340 -0.000 0.000 0.250 822 Q C -0.468 175.512 176.000 -0.033 0.000 0.909 822 Q CA -0.504 55.244 55.803 -0.092 0.000 0.910 822 Q CB 0.981 29.682 28.738 -0.061 0.000 1.223 822 Q HN 0.648 nan 8.270 nan 0.000 0.432 823 H N -0.337 118.757 119.070 0.040 0.000 3.079 823 H HA 0.399 4.955 4.556 -0.000 0.000 0.356 823 H C -1.203 174.161 175.328 0.061 0.000 1.221 823 H CA -0.759 55.306 56.048 0.029 0.000 1.185 823 H CB 0.963 30.724 29.762 -0.001 0.000 1.882 823 H HN 0.831 nan 8.280 nan 0.000 0.543 824 N N 1.776 120.606 118.700 0.215 0.000 2.330 824 N HA 0.083 4.823 4.740 -0.000 0.000 0.249 824 N C -0.918 174.601 175.510 0.015 0.000 1.413 824 N CA -0.478 52.645 53.050 0.121 0.000 0.817 824 N CB 0.555 39.133 38.487 0.152 0.000 1.362 824 N HN 0.802 nan 8.380 nan 0.000 0.499 825 N N 0.669 119.365 118.700 -0.008 0.000 3.889 825 N HA -0.084 4.656 4.740 -0.000 0.000 0.106 825 N C -1.324 174.230 175.510 0.073 0.000 0.844 825 N CA 0.045 53.045 53.050 -0.084 0.000 3.110 825 N CB -0.349 38.036 38.487 -0.171 0.000 1.299 825 N HN 0.316 nan 8.380 nan 0.000 0.804 826 S N -0.776 114.958 115.700 0.058 0.000 2.587 826 S HA 0.311 4.781 4.470 -0.000 0.000 0.260 826 S C 1.529 176.190 174.600 0.101 0.000 1.353 826 S CA 0.440 58.661 58.200 0.036 0.000 0.995 826 S CB 0.587 63.735 63.200 -0.087 0.000 0.912 826 S HN 0.578 nan 8.310 nan 0.000 0.568 827 G N -0.235 108.567 108.800 0.003 0.000 2.447 827 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.293 827 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.293 827 G C -0.066 174.858 174.900 0.039 0.000 0.894 827 G CA 0.955 46.049 45.100 -0.011 0.000 1.066 827 G HN 0.697 nan 8.290 nan 0.000 0.503 828 F N -1.868 118.062 119.950 -0.033 0.000 2.229 828 F HA 0.316 4.843 4.527 -0.000 0.000 0.319 828 F C 1.179 176.970 175.800 -0.016 0.000 0.865 828 F CA 0.238 58.225 58.000 -0.021 0.000 1.087 828 F CB 0.423 39.415 39.000 -0.013 0.000 1.159 828 F HN 0.142 nan 8.300 nan 0.000 0.669 829 V N 1.103 121.155 119.914 0.230 0.000 2.743 829 V HA 0.549 4.669 4.120 -0.000 0.000 0.301 829 V C 1.127 177.279 176.094 0.097 0.000 1.057 829 V CA 0.319 62.697 62.300 0.130 0.000 1.006 829 V CB 1.028 32.916 31.823 0.107 0.000 1.024 829 V HN 0.426 nan 8.190 nan 0.000 0.473 830 G N 3.350 112.188 108.800 0.065 0.000 1.969 830 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.228 830 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.228 830 G C -0.433 174.566 174.900 0.167 0.000 1.464 830 G CA 1.533 46.670 45.100 0.063 0.000 1.035 830 G HN 1.311 nan 8.290 nan 0.000 0.390 831 Y N -3.392 116.888 120.300 -0.033 0.000 2.645 831 Y HA -0.015 4.535 4.550 -0.000 0.000 0.369 831 Y C 0.468 176.350 175.900 -0.031 0.000 1.349 831 Y CA -0.003 58.075 58.100 -0.036 0.000 1.885 831 Y CB -0.631 37.800 38.460 -0.047 0.000 1.390 831 Y HN 0.841 nan 8.280 nan 0.000 0.589 832 L N 0.900 121.786 121.223 -0.561 0.000 5.198 832 L HA -0.242 4.098 4.340 -0.000 0.000 0.414 832 L C 0.332 177.196 176.870 -0.010 0.000 0.922 832 L CA 1.414 56.076 54.840 -0.297 0.000 1.585 832 L CB -1.535 40.416 42.059 -0.180 0.000 1.671 832 L HN 1.654 nan 8.230 nan 0.000 0.621 833 A N -2.852 119.959 122.820 -0.014 0.000 2.441 833 A HA 0.570 4.890 4.320 -0.000 0.000 0.295 833 A C -2.703 174.882 177.584 0.003 0.000 0.992 833 A CA -0.275 51.791 52.037 0.048 0.000 0.603 833 A CB 0.155 19.201 19.000 0.076 0.000 1.385 833 A HN -0.203 nan 8.150 nan 0.000 0.470 834 P HA 0.130 nan 4.420 nan 0.000 0.271 834 P C 0.813 178.066 177.300 -0.078 0.000 1.535 834 P CA 0.929 63.947 63.100 -0.136 0.000 0.820 834 P CB -0.830 30.665 31.700 -0.342 0.000 1.606 835 T N -0.491 114.047 114.554 -0.027 0.000 5.190 835 T HA -0.003 4.347 4.350 -0.000 0.000 0.444 835 T C 1.131 175.817 174.700 -0.023 0.000 0.994 835 T CA 0.278 62.368 62.100 -0.017 0.000 0.953 835 T CB -0.256 68.592 68.868 -0.032 0.000 1.333 835 T HN 0.151 nan 8.240 nan 0.000 0.430 836 M N 0.177 119.757 119.600 -0.034 0.000 2.416 836 M HA 0.501 4.981 4.480 -0.000 0.000 0.227 836 M C 0.643 176.917 176.300 -0.042 0.000 1.063 836 M CA -0.838 54.438 55.300 -0.040 0.000 1.192 836 M CB 0.613 33.181 32.600 -0.053 0.000 1.274 836 M HN 0.267 nan 8.290 nan 0.000 0.645 837 R N 0.247 120.703 120.500 -0.074 0.000 2.346 837 R HA 0.142 4.482 4.340 -0.000 0.000 0.225 837 R C -0.527 175.707 176.300 -0.110 0.000 0.987 837 R CA -0.036 55.995 56.100 -0.115 0.000 1.106 837 R CB -1.260 28.916 30.300 -0.205 0.000 1.090 837 R HN 0.698 nan 8.270 nan 0.000 0.502 838 E N 1.564 121.714 120.200 -0.084 0.000 2.614 838 E HA 0.214 4.564 4.350 -0.000 0.000 0.245 838 E C 0.328 176.879 176.600 -0.082 0.000 1.039 838 E CA 0.388 56.736 56.400 -0.086 0.000 0.948 838 E CB 0.064 29.706 29.700 -0.097 0.000 0.937 838 E HN 0.406 nan 8.360 nan 0.000 0.498 839 G N 2.934 111.680 108.800 -0.091 0.000 2.497 839 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.686 839 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.686 839 G C -0.923 173.923 174.900 -0.089 0.000 1.288 839 G CA -0.503 44.539 45.100 -0.097 0.000 0.899 839 G HN 0.835 nan 8.290 nan 0.000 0.608 840 Q N -0.093 119.649 119.800 -0.096 0.000 2.288 840 Q HA 0.659 4.999 4.340 -0.000 0.000 0.258 840 Q C 0.246 176.227 176.000 -0.032 0.000 0.957 840 Q CA -0.022 55.759 55.803 -0.035 0.000 0.919 840 Q CB 1.546 30.275 28.738 -0.014 0.000 1.185 840 Q HN 1.804 nan 8.270 nan 0.000 0.408 841 A N 4.111 127.024 122.820 0.156 0.000 2.328 841 A HA 0.513 4.833 4.320 -0.000 0.000 0.284 841 A C -1.297 176.555 177.584 0.446 0.000 1.160 841 A CA -0.426 51.783 52.037 0.287 0.000 0.818 841 A CB 0.293 19.697 19.000 0.674 0.000 1.087 841 A HN 0.680 nan 8.150 nan 0.000 0.504 842 Y N 2.159 122.381 120.300 -0.130 0.000 2.549 842 Y HA 0.442 4.992 4.550 -0.000 0.000 0.339 842 Y C -1.574 174.156 175.900 -0.284 0.000 1.053 842 Y CA -2.386 55.560 58.100 -0.256 0.000 1.105 842 Y CB 0.871 39.059 38.460 -0.454 0.000 1.258 842 Y HN 0.490 nan 8.280 nan 0.000 0.478 843 P HA -0.222 nan 4.420 nan 0.000 0.211 843 P C -0.449 176.819 177.300 -0.054 0.000 0.906 843 P CA 3.134 66.175 63.100 -0.098 0.000 1.017 843 P CB 0.273 31.919 31.700 -0.090 0.000 0.717 844 A N -2.639 120.201 122.820 0.034 0.000 2.809 844 A HA 0.586 4.906 4.320 -0.000 0.000 0.310 844 A C -0.819 176.968 177.584 0.338 0.000 1.138 844 A CA 0.273 52.412 52.037 0.170 0.000 0.610 844 A CB 0.206 19.237 19.000 0.052 0.000 1.432 844 A HN 0.407 nan 8.150 nan 0.000 0.597 845 N N -1.193 117.646 118.700 0.232 0.000 2.695 845 N HA 0.137 4.877 4.740 -0.000 0.000 0.195 845 N C -0.989 174.659 175.510 0.230 0.000 1.317 845 N CA 0.445 53.588 53.050 0.155 0.000 1.879 845 N CB 0.077 38.581 38.487 0.028 0.000 1.174 845 N HN 0.938 nan 8.380 nan 0.000 0.682 846 F N 1.458 121.413 119.950 0.008 0.000 2.652 846 F HA 0.634 5.161 4.527 -0.000 0.000 0.320 846 F C -2.682 173.089 175.800 -0.048 0.000 1.115 846 F CA -0.572 57.443 58.000 0.026 0.000 1.053 846 F CB 1.603 40.656 39.000 0.088 0.000 1.297 846 F HN -0.114 nan 8.300 nan 0.000 0.471 847 P HA 0.427 nan 4.420 nan 0.000 0.328 847 P C -1.758 175.331 177.300 -0.353 0.000 1.288 847 P CA -0.466 62.165 63.100 -0.781 0.000 0.786 847 P CB 1.075 32.293 31.700 -0.803 0.000 1.388 848 Y N -0.528 119.504 120.300 -0.447 0.000 2.310 848 Y HA 0.328 4.878 4.550 -0.000 0.000 0.326 848 Y C -1.684 174.092 175.900 -0.206 0.000 1.151 848 Y CA -1.920 56.013 58.100 -0.277 0.000 1.195 848 Y CB 0.063 38.353 38.460 -0.283 0.000 1.210 848 Y HN 0.171 nan 8.280 nan 0.000 0.483 849 P HA 0.107 nan 4.420 nan 0.000 0.273 849 P C -0.256 177.043 177.300 -0.002 0.000 1.319 849 P CA 0.267 63.343 63.100 -0.040 0.000 0.885 849 P CB 0.117 31.786 31.700 -0.052 0.000 1.015 850 L N 3.490 124.703 121.223 -0.016 0.000 2.529 850 L HA 0.191 4.531 4.340 -0.000 0.000 0.223 850 L C 1.301 178.167 176.870 -0.006 0.000 1.113 850 L CA 0.358 55.193 54.840 -0.008 0.000 0.861 850 L CB -0.329 41.716 42.059 -0.023 0.000 1.012 850 L HN 0.331 nan 8.230 nan 0.000 0.461 851 I N -0.929 119.635 120.570 -0.010 0.000 2.474 851 I HA 0.726 4.896 4.170 -0.000 0.000 0.294 851 I C 0.716 176.829 176.117 -0.007 0.000 1.005 851 I CA 0.040 61.337 61.300 -0.006 0.000 1.113 851 I CB 1.090 39.087 38.000 -0.005 0.000 1.289 851 I HN 0.314 nan 8.210 nan 0.000 0.436 852 G N 7.653 116.451 108.800 -0.003 0.000 2.556 852 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.283 852 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.283 852 G C 0.094 174.991 174.900 -0.004 0.000 1.177 852 G CA 0.339 45.437 45.100 -0.004 0.000 0.978 852 G HN 0.901 nan 8.290 nan 0.000 0.554 853 K N 2.051 122.447 120.400 -0.007 0.000 2.978 853 K HA 0.359 4.679 4.320 -0.000 0.000 0.261 853 K C -0.401 176.195 176.600 -0.007 0.000 1.181 853 K CA 0.975 57.258 56.287 -0.007 0.000 1.164 853 K CB -0.769 31.725 32.500 -0.010 0.000 1.331 853 K HN 0.691 nan 8.250 nan 0.000 0.266 854 T N -1.125 113.429 114.554 -0.000 0.000 3.888 854 T HA 0.162 4.512 4.350 -0.000 0.000 0.274 854 T C -0.189 174.526 174.700 0.024 0.000 0.639 854 T CA -0.849 61.256 62.100 0.008 0.000 1.047 854 T CB 0.886 69.753 68.868 -0.002 0.000 1.111 854 T HN 0.287 nan 8.240 nan 0.000 0.497 855 A N 2.294 125.128 122.820 0.023 0.000 3.046 855 A HA 0.483 4.803 4.320 -0.000 0.000 0.259 855 A C 1.001 178.610 177.584 0.042 0.000 1.843 855 A CA -0.430 51.620 52.037 0.022 0.000 1.451 855 A CB -1.077 17.927 19.000 0.008 0.000 1.025 855 A HN 1.301 nan 8.150 nan 0.000 0.625 856 V N -0.241 119.721 119.914 0.080 0.000 2.222 856 V HA 0.185 4.305 4.120 -0.000 0.000 0.253 856 V C -0.501 175.665 176.094 0.120 0.000 1.210 856 V CA -1.268 61.134 62.300 0.170 0.000 1.079 856 V CB -0.535 31.454 31.823 0.276 0.000 1.265 856 V HN 0.556 nan 8.190 nan 0.000 0.494 857 D N 3.085 123.494 120.400 0.015 0.000 7.612 857 D HA -0.145 4.495 4.640 -0.000 0.000 0.171 857 D C 0.581 176.901 176.300 0.035 0.000 1.375 857 D CA 1.246 55.230 54.000 -0.027 0.000 0.857 857 D CB 0.252 40.955 40.800 -0.161 0.000 1.630 857 D HN 0.796 nan 8.370 nan 0.000 0.943 858 S N 1.498 117.209 115.700 0.018 0.000 2.766 858 S HA 0.817 5.287 4.470 -0.000 0.000 0.307 858 S C -0.368 174.230 174.600 -0.005 0.000 1.121 858 S CA -0.873 57.329 58.200 0.003 0.000 0.980 858 S CB 1.301 64.496 63.200 -0.009 0.000 1.159 858 S HN 0.357 nan 8.310 nan 0.000 0.546 859 I N 1.254 121.814 120.570 -0.016 0.000 2.644 859 I HA 0.311 4.481 4.170 -0.000 0.000 0.291 859 I C 0.627 176.729 176.117 -0.024 0.000 1.180 859 I CA -1.071 60.222 61.300 -0.011 0.000 1.040 859 I CB 1.524 39.525 38.000 0.001 0.000 1.255 859 I HN 0.585 nan 8.210 nan 0.000 0.422 860 T N 2.069 116.617 114.554 -0.009 0.000 5.516 860 T HA -0.205 4.145 4.350 -0.000 0.000 0.478 860 T C 0.586 175.271 174.700 -0.024 0.000 0.887 860 T CA 0.714 62.810 62.100 -0.007 0.000 0.974 860 T CB -0.129 68.753 68.868 0.022 0.000 1.068 860 T HN 0.871 nan 8.240 nan 0.000 0.364 861 Q N -0.778 119.033 119.800 0.018 0.000 2.226 861 Q HA 0.003 4.343 4.340 -0.000 0.000 0.257 861 Q C -1.327 174.759 176.000 0.144 0.000 0.647 861 Q CA -0.174 55.661 55.803 0.054 0.000 0.987 861 Q CB -0.631 28.061 28.738 -0.078 0.000 1.002 861 Q HN 0.440 nan 8.270 nan 0.000 0.541 862 K N 1.377 121.861 120.400 0.140 0.000 2.527 862 K HA 0.086 4.406 4.320 -0.000 0.000 0.278 862 K C -0.056 176.680 176.600 0.228 0.000 0.981 862 K CA 0.810 57.198 56.287 0.168 0.000 1.009 862 K CB 0.607 33.191 32.500 0.139 0.000 0.895 862 K HN 0.171 nan 8.250 nan 0.000 0.493 863 K N 1.470 122.006 120.400 0.227 0.000 2.175 863 K HA 0.484 4.804 4.320 -0.000 0.000 0.257 863 K C -1.213 175.527 176.600 0.234 0.000 1.026 863 K CA -0.850 55.562 56.287 0.208 0.000 0.866 863 K CB 0.923 33.452 32.500 0.049 0.000 1.474 863 K HN 0.431 nan 8.250 nan 0.000 0.442 864 F N -0.401 119.648 119.950 0.166 0.000 2.664 864 F HA 0.873 5.400 4.527 -0.000 0.000 0.329 864 F C -1.467 174.361 175.800 0.048 0.000 1.090 864 F CA -1.170 56.941 58.000 0.185 0.000 0.978 864 F CB 1.139 40.270 39.000 0.219 0.000 1.378 864 F HN 0.263 nan 8.300 nan 0.000 0.495 865 L N 1.265 122.519 121.223 0.051 0.000 3.546 865 L HA 0.490 4.830 4.340 -0.000 0.000 0.258 865 L C -1.915 174.492 176.870 -0.773 0.000 0.984 865 L CA -0.204 54.485 54.840 -0.252 0.000 1.078 865 L CB 1.278 43.151 42.059 -0.309 0.000 1.801 865 L HN 1.230 nan 8.230 nan 0.000 0.497 866 C N 3.830 122.917 119.300 -0.356 0.000 3.232 866 C HA 0.608 5.068 4.460 -0.000 0.000 0.432 866 C C -2.128 172.884 174.990 0.037 0.000 0.950 866 C CA -0.324 58.486 59.018 -0.347 0.000 1.258 866 C CB 0.365 27.781 27.740 -0.541 0.000 1.658 866 C HN 0.951 nan 8.230 nan 0.000 0.596 867 D N 3.687 124.138 120.400 0.086 0.000 2.481 867 D HA 0.671 5.311 4.640 -0.000 0.000 0.244 867 D C 0.300 176.678 176.300 0.132 0.000 1.057 867 D CA -0.487 53.650 54.000 0.229 0.000 0.848 867 D CB 1.208 42.247 40.800 0.398 0.000 1.388 867 D HN 0.915 nan 8.370 nan 0.000 0.475 868 R N -0.289 120.331 120.500 0.201 0.000 3.804 868 R HA -0.133 4.207 4.340 -0.000 0.000 0.459 868 R C -1.108 175.227 176.300 0.058 0.000 1.009 868 R CA 0.989 57.185 56.100 0.160 0.000 1.210 868 R CB -1.962 28.300 30.300 -0.064 0.000 1.860 868 R HN 0.558 nan 8.270 nan 0.000 0.526 869 T N 2.004 116.537 114.554 -0.036 0.000 2.991 869 T HA 0.449 4.799 4.350 -0.000 0.000 0.347 869 T C -0.343 174.231 174.700 -0.210 0.000 1.122 869 T CA -0.559 61.409 62.100 -0.219 0.000 1.062 869 T CB 0.883 69.502 68.868 -0.416 0.000 1.043 869 T HN 0.132 nan 8.240 nan 0.000 0.491 870 L N 2.154 123.255 121.223 -0.205 0.000 2.416 870 L HA 0.637 4.977 4.340 -0.000 0.000 0.263 870 L C -0.366 176.599 176.870 0.158 0.000 1.065 870 L CA -1.007 53.551 54.840 -0.471 0.000 0.798 870 L CB 1.300 42.841 42.059 -0.863 0.000 1.267 870 L HN 0.725 nan 8.230 nan 0.000 0.467 871 W N 1.062 122.468 121.300 0.177 0.000 2.416 871 W HA 0.452 5.112 4.660 -0.000 0.000 0.318 871 W C 0.318 176.894 176.519 0.095 0.000 1.150 871 W CA -0.854 56.631 57.345 0.232 0.000 1.392 871 W CB -0.049 29.637 29.460 0.376 0.000 1.311 871 W HN 0.266 nan 8.180 nan 0.000 0.436 872 R N 4.472 125.116 120.500 0.239 0.000 2.357 872 R HA 0.210 4.550 4.340 -0.000 0.000 0.330 872 R C -0.280 176.042 176.300 0.036 0.000 1.102 872 R CA -0.022 56.112 56.100 0.057 0.000 0.974 872 R CB -0.001 30.286 30.300 -0.021 0.000 1.002 872 R HN 0.590 nan 8.270 nan 0.000 0.463 873 I N 5.768 126.333 120.570 -0.008 0.000 2.433 873 I HA 0.435 4.605 4.170 -0.000 0.000 0.292 873 I C -2.268 173.549 176.117 -0.501 0.000 1.001 873 I CA -2.397 58.843 61.300 -0.101 0.000 1.119 873 I CB 1.941 40.068 38.000 0.211 0.000 1.289 873 I HN 0.391 nan 8.210 nan 0.000 0.438 874 P HA 0.438 nan 4.420 nan 0.000 0.328 874 P C -0.098 176.872 177.300 -0.551 0.000 1.257 874 P CA 0.122 62.899 63.100 -0.537 0.000 0.795 874 P CB 1.711 33.286 31.700 -0.208 0.000 1.903 875 F N -1.171 118.593 119.950 -0.309 0.000 2.102 875 F HA 0.348 4.875 4.527 -0.000 0.000 0.254 875 F C 0.252 176.167 175.800 0.193 0.000 0.975 875 F CA 0.269 58.238 58.000 -0.052 0.000 1.176 875 F CB -0.659 38.303 39.000 -0.063 0.000 1.358 875 F HN -0.011 nan 8.300 nan 0.000 0.728 876 S N 1.045 116.851 115.700 0.176 0.000 3.658 876 S HA -0.198 4.272 4.470 -0.000 0.000 0.437 876 S C 1.418 175.944 174.600 -0.123 0.000 1.120 876 S CA 0.699 58.895 58.200 -0.007 0.000 0.854 876 S CB 0.134 63.319 63.200 -0.024 0.000 0.724 876 S HN 0.486 nan 8.310 nan 0.000 0.438 877 S N 2.945 118.446 115.700 -0.333 0.000 2.356 877 S HA -0.161 4.309 4.470 -0.000 0.000 0.223 877 S C 1.505 175.257 174.600 -1.413 0.000 1.032 877 S CA 1.786 59.566 58.200 -0.700 0.000 1.005 877 S CB -0.433 62.538 63.200 -0.381 0.000 0.867 877 S HN 0.816 nan 8.310 nan 0.000 0.449 878 N N 0.713 118.997 118.700 -0.694 0.000 2.520 878 N HA 0.006 4.746 4.740 -0.000 0.000 0.185 878 N C -0.174 175.116 175.510 -0.367 0.000 1.068 878 N CA 0.709 53.467 53.050 -0.487 0.000 0.911 878 N CB -0.406 37.963 38.487 -0.197 0.000 0.961 878 N HN 0.360 nan 8.380 nan 0.000 0.446 879 F N -1.543 118.400 119.950 -0.012 0.000 3.058 879 F HA -0.231 4.296 4.527 -0.000 0.000 0.295 879 F C -0.437 175.333 175.800 -0.049 0.000 0.875 879 F CA 0.166 58.169 58.000 0.006 0.000 1.150 879 F CB -2.674 36.319 39.000 -0.010 0.000 1.175 879 F HN 0.010 nan 8.300 nan 0.000 0.599 880 M N -1.753 117.866 119.600 0.032 0.000 2.518 880 M HA 0.523 5.003 4.480 -0.000 0.000 0.300 880 M C 0.495 176.760 176.300 -0.059 0.000 1.175 880 M CA -0.775 54.501 55.300 -0.040 0.000 0.890 880 M CB 2.124 34.681 32.600 -0.071 0.000 1.710 880 M HN -0.175 nan 8.290 nan 0.000 0.453 881 S N 1.572 117.219 115.700 -0.089 0.000 3.513 881 S HA 0.297 4.767 4.470 -0.000 0.000 0.209 881 S C 0.740 175.284 174.600 -0.093 0.000 1.446 881 S CA -0.328 57.814 58.200 -0.095 0.000 1.150 881 S CB -0.449 62.679 63.200 -0.120 0.000 1.266 881 S HN 0.718 nan 8.310 nan 0.000 0.502 882 M N 0.166 119.719 119.600 -0.078 0.000 2.510 882 M HA 0.318 4.798 4.480 -0.000 0.000 0.256 882 M C 1.036 177.298 176.300 -0.062 0.000 1.132 882 M CA 0.067 55.326 55.300 -0.069 0.000 1.105 882 M CB 0.349 32.914 32.600 -0.058 0.000 1.375 882 M HN 0.313 nan 8.290 nan 0.000 0.477 883 G N 0.246 109.010 108.800 -0.060 0.000 2.845 883 G HA2 0.614 4.574 3.960 -0.000 0.000 0.282 883 G HA3 0.614 4.574 3.960 -0.000 0.000 0.282 883 G C 0.390 175.260 174.900 -0.050 0.000 1.546 883 G CA -0.398 44.670 45.100 -0.052 0.000 1.089 883 G HN 0.201 nan 8.290 nan 0.000 0.558 884 A N 2.627 125.411 122.820 -0.061 0.000 2.245 884 A HA 0.007 4.327 4.320 -0.000 0.000 0.217 884 A C 1.738 179.310 177.584 -0.019 0.000 1.171 884 A CA 0.836 52.838 52.037 -0.057 0.000 0.688 884 A CB 0.004 18.955 19.000 -0.081 0.000 0.781 884 A HN 0.577 nan 8.150 nan 0.000 0.479 885 L N 0.135 121.351 121.223 -0.012 0.000 2.607 885 L HA 0.093 4.433 4.340 -0.000 0.000 0.228 885 L C 0.492 177.388 176.870 0.043 0.000 1.123 885 L CA 1.621 56.467 54.840 0.010 0.000 0.890 885 L CB -1.523 40.532 42.059 -0.007 0.000 1.103 885 L HN 0.635 nan 8.230 nan 0.000 0.468 886 T N -2.039 112.531 114.554 0.028 0.000 0.542 886 T HA -0.253 4.097 4.350 -0.000 0.000 0.774 886 T C 1.202 175.904 174.700 0.003 0.000 0.992 886 T CA 0.698 62.818 62.100 0.035 0.000 4.076 886 T CB -0.459 68.491 68.868 0.137 0.000 2.302 886 T HN 0.548 nan 8.240 nan 0.000 0.398 887 D N 1.914 122.288 120.400 -0.044 0.000 2.242 887 D HA -0.208 4.432 4.640 -0.000 0.000 0.193 887 D C 1.873 178.129 176.300 -0.073 0.000 1.005 887 D CA 2.175 56.137 54.000 -0.063 0.000 0.856 887 D CB -0.077 40.657 40.800 -0.109 0.000 1.001 887 D HN 0.728 nan 8.370 nan 0.000 0.452 888 L N 0.484 121.601 121.223 -0.176 0.000 2.740 888 L HA -0.061 4.279 4.340 -0.000 0.000 0.242 888 L C 1.883 178.409 176.870 -0.574 0.000 1.175 888 L CA 0.691 55.333 54.840 -0.330 0.000 0.859 888 L CB -0.552 41.171 42.059 -0.561 0.000 0.992 888 L HN 0.184 nan 8.230 nan 0.000 0.454 889 G N -0.134 108.580 108.800 -0.143 0.000 3.210 889 G HA2 0.006 3.966 3.960 -0.000 0.000 0.220 889 G HA3 0.006 3.966 3.960 -0.000 0.000 0.220 889 G C 0.311 175.241 174.900 0.050 0.000 1.200 889 G CA -0.012 45.142 45.100 0.090 0.000 0.834 889 G HN 0.503 nan 8.290 nan 0.000 0.524 890 Q N -1.105 118.790 119.800 0.158 0.000 2.541 890 Q HA 0.446 4.786 4.340 -0.000 0.000 0.259 890 Q C -1.588 174.639 176.000 0.378 0.000 0.974 890 Q CA -0.898 55.130 55.803 0.375 0.000 0.955 890 Q CB 1.197 30.033 28.738 0.163 0.000 1.517 890 Q HN 0.035 nan 8.270 nan 0.000 0.412 891 N N 0.039 118.870 118.700 0.219 0.000 4.616 891 N HA -0.051 4.689 4.740 -0.000 0.000 0.221 891 N C -0.418 174.938 175.510 -0.257 0.000 1.188 891 N CA 0.124 53.148 53.050 -0.044 0.000 0.689 891 N CB -0.344 38.127 38.487 -0.027 0.000 1.625 891 N HN 0.788 nan 8.380 nan 0.000 0.414 892 L N 0.872 121.983 121.223 -0.188 0.000 2.549 892 L HA 0.240 4.580 4.340 -0.000 0.000 0.230 892 L C 0.995 177.717 176.870 -0.247 0.000 1.162 892 L CA 1.262 55.998 54.840 -0.172 0.000 0.834 892 L CB -0.449 41.557 42.059 -0.089 0.000 0.947 892 L HN 0.518 nan 8.230 nan 0.000 0.452 893 L N -0.889 120.058 121.223 -0.461 0.000 1.960 893 L HA -0.091 4.249 4.340 -0.000 0.000 0.209 893 L C 2.614 179.321 176.870 -0.272 0.000 1.090 893 L CA 1.626 56.245 54.840 -0.367 0.000 0.759 893 L CB -1.391 40.494 42.059 -0.289 0.000 0.892 893 L HN 0.315 nan 8.230 nan 0.000 0.436 894 Y N -0.062 120.392 120.300 0.257 0.000 2.286 894 Y HA 0.239 4.789 4.550 -0.000 0.000 0.293 894 Y C 2.427 178.485 175.900 0.264 0.000 1.124 894 Y CA 0.266 58.593 58.100 0.378 0.000 1.178 894 Y CB -1.283 37.473 38.460 0.494 0.000 1.010 894 Y HN 0.074 nan 8.280 nan 0.000 0.536 895 A N 0.489 123.342 122.820 0.056 0.000 2.292 895 A HA -0.125 4.195 4.320 -0.000 0.000 0.209 895 A C 1.106 178.721 177.584 0.051 0.000 1.209 895 A CA 1.484 53.609 52.037 0.146 0.000 0.746 895 A CB -0.992 18.067 19.000 0.097 0.000 0.764 895 A HN 0.557 nan 8.150 nan 0.000 0.492 896 N N -1.679 117.032 118.700 0.019 0.000 2.159 896 N HA 0.267 5.007 4.740 -0.000 0.000 0.217 896 N C -0.262 175.251 175.510 0.005 0.000 1.223 896 N CA 0.569 53.618 53.050 -0.002 0.000 0.896 896 N CB 0.805 39.267 38.487 -0.040 0.000 1.064 896 N HN 0.234 nan 8.380 nan 0.000 0.518 897 S N -1.412 114.322 115.700 0.058 0.000 2.859 897 S HA 0.681 5.151 4.470 -0.000 0.000 0.286 897 S C -2.073 172.547 174.600 0.033 0.000 1.230 897 S CA -0.299 57.911 58.200 0.017 0.000 1.340 897 S CB -0.010 63.127 63.200 -0.105 0.000 1.292 897 S HN 0.054 nan 8.310 nan 0.000 0.411 898 A N 1.213 123.936 122.820 -0.163 0.000 2.518 898 A HA 0.691 5.011 4.320 -0.000 0.000 0.295 898 A C -1.454 175.678 177.584 -0.753 0.000 1.052 898 A CA -0.532 51.105 52.037 -0.668 0.000 0.824 898 A CB 0.327 19.323 19.000 -0.007 0.000 1.325 898 A HN 0.997 nan 8.150 nan 0.000 0.394 899 H N 0.838 118.901 119.070 -1.679 0.000 2.856 899 H HA 0.809 5.365 4.556 -0.000 0.000 0.355 899 H C 0.563 175.734 175.328 -0.262 0.000 1.079 899 H CA -0.596 55.032 56.048 -0.700 0.000 1.240 899 H CB 1.502 31.061 29.762 -0.338 0.000 1.701 899 H HN 1.602 nan 8.280 nan 0.000 0.527 900 A N 1.943 124.792 122.820 0.049 0.000 3.396 900 A HA -0.077 4.243 4.320 -0.000 0.000 1.024 900 A C 0.112 177.870 177.584 0.290 0.000 1.981 900 A CA 2.061 54.205 52.037 0.178 0.000 3.427 900 A CB -0.688 18.353 19.000 0.070 0.000 1.715 900 A HN 0.965 nan 8.150 nan 0.000 1.039 901 L N -3.402 117.915 121.223 0.157 0.000 2.599 901 L HA 0.521 4.861 4.340 -0.000 0.000 0.292 901 L C -1.909 175.001 176.870 0.068 0.000 0.753 901 L CA 0.560 55.485 54.840 0.142 0.000 1.134 901 L CB 0.538 42.749 42.059 0.254 0.000 1.670 901 L HN 1.144 nan 8.230 nan 0.000 0.337 902 D N 0.960 121.413 120.400 0.089 0.000 7.133 902 D HA 0.224 4.864 4.640 -0.000 0.000 0.241 902 D C -1.409 174.922 176.300 0.053 0.000 2.017 902 D CA 0.947 54.981 54.000 0.057 0.000 1.860 902 D CB -0.871 39.949 40.800 0.032 0.000 0.718 902 D HN 0.668 nan 8.370 nan 0.000 0.425 903 M N -0.248 119.394 119.600 0.069 0.000 2.380 903 M HA 0.393 4.873 4.480 -0.000 0.000 0.202 903 M C 0.253 176.613 176.300 0.100 0.000 0.975 903 M CA -0.747 54.595 55.300 0.071 0.000 0.971 903 M CB 0.728 33.380 32.600 0.087 0.000 2.685 903 M HN 0.112 nan 8.290 nan 0.000 0.431 904 T N 0.814 115.415 114.554 0.077 0.000 3.214 904 T HA 0.031 4.381 4.350 -0.000 0.000 0.459 904 T C 0.069 174.928 174.700 0.266 0.000 0.999 904 T CA 1.435 63.603 62.100 0.113 0.000 1.171 904 T CB 0.012 68.901 68.868 0.034 0.000 1.113 904 T HN 0.645 nan 8.240 nan 0.000 0.511 905 F N -0.204 119.699 119.950 -0.078 0.000 4.592 905 F HA 0.434 4.961 4.527 -0.000 0.000 0.337 905 F C -1.040 174.663 175.800 -0.162 0.000 1.033 905 F CA -0.616 57.331 58.000 -0.088 0.000 0.843 905 F CB 1.016 39.973 39.000 -0.072 0.000 1.968 905 F HN 0.552 nan 8.300 nan 0.000 0.491 906 E N 0.819 121.028 120.200 0.015 0.000 3.649 906 E HA 0.294 4.644 4.350 -0.000 0.000 0.297 906 E C -1.394 174.929 176.600 -0.463 0.000 1.177 906 E CA -0.018 56.269 56.400 -0.188 0.000 0.584 906 E CB 0.250 29.867 29.700 -0.138 0.000 1.027 906 E HN 0.432 nan 8.360 nan 0.000 0.567 907 V N -0.298 119.301 119.914 -0.525 0.000 5.548 907 V HA 0.679 4.799 4.120 -0.000 0.000 0.276 907 V C -0.249 175.649 176.094 -0.327 0.000 1.512 907 V CA 0.005 61.899 62.300 -0.677 0.000 0.718 907 V CB 1.347 32.735 31.823 -0.727 0.000 1.393 907 V HN 0.471 nan 8.190 nan 0.000 0.415 908 D N 1.100 121.351 120.400 -0.248 0.000 2.278 908 D HA 0.547 5.187 4.640 -0.000 0.000 0.245 908 D C -2.740 173.483 176.300 -0.129 0.000 1.052 908 D CA -2.252 51.665 54.000 -0.137 0.000 0.834 908 D CB 1.998 42.747 40.800 -0.086 0.000 1.194 908 D HN 0.562 nan 8.370 nan 0.000 0.481 909 P HA 0.109 nan 4.420 nan 0.000 0.244 909 P C -0.339 176.919 177.300 -0.069 0.000 1.769 909 P CA -0.440 62.610 63.100 -0.084 0.000 1.102 909 P CB 0.117 31.776 31.700 -0.068 0.000 1.937 910 M N 3.568 123.125 119.600 -0.072 0.000 2.734 910 M HA -0.048 4.432 4.480 -0.000 0.000 0.356 910 M C 1.121 177.397 176.300 -0.041 0.000 1.790 910 M CA 0.682 55.948 55.300 -0.057 0.000 1.231 910 M CB -0.637 31.929 32.600 -0.057 0.000 2.102 910 M HN 0.309 nan 8.290 nan 0.000 0.463 911 D N 2.678 123.058 120.400 -0.033 0.000 2.436 911 D HA -0.176 4.464 4.640 -0.000 0.000 0.233 911 D C 0.153 176.447 176.300 -0.009 0.000 1.028 911 D CA 0.502 54.492 54.000 -0.017 0.000 0.988 911 D CB -0.338 40.458 40.800 -0.007 0.000 0.864 911 D HN 0.771 nan 8.370 nan 0.000 0.520 912 E N -1.473 118.718 120.200 -0.015 0.000 2.378 912 E HA 0.326 4.676 4.350 -0.000 0.000 0.283 912 E C -3.224 173.366 176.600 -0.016 0.000 0.979 912 E CA -2.206 54.189 56.400 -0.009 0.000 0.795 912 E CB 1.125 30.826 29.700 0.001 0.000 1.221 912 E HN -0.348 nan 8.360 nan 0.000 0.428 913 P HA -0.106 nan 4.420 nan 0.000 0.198 913 P C -0.745 176.545 177.300 -0.015 0.000 0.910 913 P CA 1.051 64.143 63.100 -0.012 0.000 1.202 913 P CB -0.527 31.171 31.700 -0.004 0.000 1.231 914 T N 1.715 116.253 114.554 -0.026 0.000 2.840 914 T HA 0.622 4.972 4.350 -0.000 0.000 0.287 914 T C -0.074 174.606 174.700 -0.032 0.000 0.991 914 T CA -0.969 61.110 62.100 -0.034 0.000 0.964 914 T CB 0.855 69.694 68.868 -0.049 0.000 0.954 914 T HN -0.021 nan 8.240 nan 0.000 0.438 915 L N 3.138 124.349 121.223 -0.020 0.000 2.416 915 L HA 0.607 4.947 4.340 -0.000 0.000 0.262 915 L C 0.503 177.375 176.870 0.004 0.000 1.093 915 L CA -1.302 53.534 54.840 -0.006 0.000 0.801 915 L CB 0.621 42.688 42.059 0.013 0.000 1.191 915 L HN 0.472 nan 8.230 nan 0.000 0.459 916 L N 0.449 121.683 121.223 0.018 0.000 2.721 916 L HA 0.564 4.904 4.340 -0.000 0.000 0.154 916 L C -0.806 176.165 176.870 0.168 0.000 1.831 916 L CA -0.032 54.830 54.840 0.037 0.000 2.816 916 L CB 0.529 42.562 42.059 -0.043 0.000 3.008 916 L HN 0.521 nan 8.230 nan 0.000 0.696 917 Y N -2.499 117.788 120.300 -0.022 0.000 3.005 917 Y HA 0.424 4.974 4.550 -0.000 0.000 0.408 917 Y C -1.580 174.323 175.900 0.006 0.000 1.148 917 Y CA -0.596 57.481 58.100 -0.038 0.000 1.235 917 Y CB 0.757 39.166 38.460 -0.084 0.000 1.602 917 Y HN 0.366 nan 8.280 nan 0.000 0.479 918 V N 1.984 121.732 119.914 -0.278 0.000 2.928 918 V HA 0.415 4.535 4.120 -0.000 0.000 0.257 918 V C -1.466 174.271 176.094 -0.594 0.000 1.105 918 V CA -1.083 61.050 62.300 -0.278 0.000 0.939 918 V CB 0.281 31.960 31.823 -0.241 0.000 1.058 918 V HN 0.661 nan 8.190 nan 0.000 0.495 919 L N 2.682 123.681 121.223 -0.374 0.000 2.657 919 L HA 0.696 5.036 4.340 -0.000 0.000 0.240 919 L C 0.502 176.950 176.870 -0.702 0.000 1.151 919 L CA -0.222 54.359 54.840 -0.431 0.000 0.831 919 L CB 0.555 42.555 42.059 -0.099 0.000 1.539 919 L HN 0.714 nan 8.230 nan 0.000 0.511 920 F N -1.809 118.130 119.950 -0.019 0.000 2.895 920 F HA 0.142 4.669 4.527 -0.000 0.000 0.334 920 F C 0.933 176.510 175.800 -0.373 0.000 1.252 920 F CA -0.322 57.623 58.000 -0.091 0.000 1.056 920 F CB 0.380 39.359 39.000 -0.035 0.000 1.311 920 F HN 0.601 nan 8.300 nan 0.000 0.506 921 E N 2.028 122.123 120.200 -0.175 0.000 2.129 921 E HA -0.253 4.097 4.350 -0.000 0.000 0.213 921 E C 0.779 177.112 176.600 -0.444 0.000 1.404 921 E CA 0.540 56.783 56.400 -0.262 0.000 0.706 921 E CB -0.401 29.139 29.700 -0.266 0.000 1.099 921 E HN 0.538 nan 8.360 nan 0.000 0.343 922 V N -1.780 117.804 119.914 -0.551 0.000 2.344 922 V HA 0.251 4.371 4.120 -0.000 0.000 0.198 922 V C 0.537 175.821 176.094 -1.349 0.000 1.042 922 V CA 1.165 62.689 62.300 -1.293 0.000 1.150 922 V CB -0.411 30.680 31.823 -1.219 0.000 0.716 922 V HN 0.411 nan 8.190 nan 0.000 0.472 923 F N -0.082 119.852 119.950 -0.027 0.000 2.655 923 F HA 0.625 5.152 4.527 -0.000 0.000 0.324 923 F C -2.095 173.691 175.800 -0.024 0.000 1.081 923 F CA -1.994 55.980 58.000 -0.043 0.000 1.088 923 F CB 0.071 39.042 39.000 -0.048 0.000 1.327 923 F HN 0.301 nan 8.300 nan 0.000 0.522 924 D N 3.456 123.917 120.400 0.102 0.000 2.420 924 D HA 0.523 5.163 4.640 -0.000 0.000 0.255 924 D C -0.155 176.128 176.300 -0.029 0.000 1.185 924 D CA -0.279 53.761 54.000 0.066 0.000 0.904 924 D CB 2.243 43.013 40.800 -0.051 0.000 1.102 924 D HN 0.389 nan 8.370 nan 0.000 0.534 925 V N -0.095 119.881 119.914 0.104 0.000 3.211 925 V HA 0.823 4.943 4.120 -0.000 0.000 0.319 925 V C 0.675 176.880 176.094 0.186 0.000 1.096 925 V CA -0.712 61.634 62.300 0.078 0.000 1.029 925 V CB 1.701 33.570 31.823 0.076 0.000 1.137 925 V HN 0.336 nan 8.190 nan 0.000 0.453 926 V N -0.552 119.455 119.914 0.154 0.000 3.096 926 V HA 0.772 4.892 4.120 -0.000 0.000 0.310 926 V C -0.653 175.549 176.094 0.180 0.000 1.438 926 V CA -1.058 61.365 62.300 0.205 0.000 1.042 926 V CB 2.128 34.063 31.823 0.187 0.000 1.069 926 V HN 0.906 nan 8.190 nan 0.000 0.470 927 R N -0.052 120.557 120.500 0.182 0.000 5.523 927 R HA 0.357 4.697 4.340 -0.000 0.000 0.269 927 R C -1.457 174.934 176.300 0.150 0.000 0.936 927 R CA -0.167 56.030 56.100 0.162 0.000 1.517 927 R CB 1.487 31.862 30.300 0.125 0.000 1.223 927 R HN 0.634 nan 8.270 nan 0.000 0.672 928 V N 2.466 122.463 119.914 0.139 0.000 3.546 928 V HA 0.444 4.564 4.120 -0.000 0.000 0.296 928 V C 0.156 176.354 176.094 0.175 0.000 1.082 928 V CA -0.152 62.226 62.300 0.131 0.000 1.086 928 V CB 0.863 32.744 31.823 0.097 0.000 1.174 928 V HN 0.738 nan 8.190 nan 0.000 0.464 929 H N 1.344 120.451 119.070 0.062 0.000 3.120 929 H HA 0.545 5.101 4.556 -0.000 0.000 0.314 929 H C -1.047 174.314 175.328 0.056 0.000 1.151 929 H CA -0.950 55.134 56.048 0.060 0.000 1.404 929 H CB 1.228 31.024 29.762 0.058 0.000 2.031 929 H HN 0.784 nan 8.280 nan 0.000 0.513 930 R N 4.346 125.113 120.500 0.444 0.000 3.776 930 R HA 0.207 4.547 4.340 -0.000 0.000 0.314 930 R C -3.318 173.118 176.300 0.227 0.000 0.920 930 R CA -0.725 55.503 56.100 0.214 0.000 1.117 930 R CB 0.282 30.677 30.300 0.158 0.000 1.365 930 R HN 0.351 nan 8.270 nan 0.000 0.437 931 P HA 0.269 nan 4.420 nan 0.000 0.282 931 P C -0.455 176.937 177.300 0.152 0.000 1.373 931 P CA 0.236 63.432 63.100 0.160 0.000 1.001 931 P CB 0.307 32.100 31.700 0.155 0.000 1.489 932 H N 0.509 119.616 119.070 0.062 0.000 3.513 932 H HA 0.582 5.138 4.556 -0.000 0.000 0.278 932 H C -0.188 175.178 175.328 0.064 0.000 1.683 932 H CA -0.879 55.199 56.048 0.051 0.000 1.552 932 H CB 1.394 31.177 29.762 0.035 0.000 1.474 932 H HN -0.299 nan 8.280 nan 0.000 0.870 933 R N -0.497 120.018 120.500 0.024 0.000 2.476 933 R HA 0.384 4.724 4.340 -0.000 0.000 0.305 933 R C -0.531 175.728 176.300 -0.069 0.000 0.965 933 R CA 0.126 56.211 56.100 -0.026 0.000 0.867 933 R CB 1.539 31.805 30.300 -0.056 0.000 1.176 933 R HN 0.994 nan 8.270 nan 0.000 0.447 934 G N 1.603 110.430 108.800 0.045 0.000 2.289 934 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.280 934 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.280 934 G C -0.567 174.471 174.900 0.230 0.000 1.089 934 G CA -0.091 45.090 45.100 0.136 0.000 0.939 934 G HN 0.404 nan 8.290 nan 0.000 0.499 935 V N 1.720 121.793 119.914 0.265 0.000 2.487 935 V HA 0.683 4.803 4.120 -0.000 0.000 0.298 935 V C 0.303 176.427 176.094 0.050 0.000 1.028 935 V CA -0.863 61.521 62.300 0.141 0.000 0.860 935 V CB 1.768 33.681 31.823 0.150 0.000 0.991 935 V HN 0.356 nan 8.190 nan 0.000 0.427 936 I N 5.144 125.693 120.570 -0.035 0.000 2.465 936 I HA 0.554 4.724 4.170 -0.000 0.000 0.291 936 I C 0.378 176.468 176.117 -0.045 0.000 1.014 936 I CA -0.337 60.903 61.300 -0.100 0.000 1.093 936 I CB 1.987 39.877 38.000 -0.183 0.000 1.267 936 I HN 0.765 nan 8.210 nan 0.000 0.431 937 E N 2.306 122.489 120.200 -0.028 0.000 3.823 937 E HA 0.104 4.454 4.350 -0.000 0.000 0.225 937 E C 0.320 176.923 176.600 0.006 0.000 1.257 937 E CA -0.249 56.133 56.400 -0.031 0.000 1.684 937 E CB -0.152 29.489 29.700 -0.098 0.000 1.550 937 E HN 0.530 nan 8.360 nan 0.000 0.709 938 T N 2.326 116.909 114.554 0.049 0.000 2.408 938 T HA 0.060 4.410 4.350 -0.000 0.000 0.403 938 T C 0.502 175.269 174.700 0.112 0.000 1.038 938 T CA 0.919 63.085 62.100 0.110 0.000 1.072 938 T CB 0.142 69.108 68.868 0.164 0.000 1.005 938 T HN 0.196 nan 8.240 nan 0.000 0.551 939 V N -0.986 119.017 119.914 0.148 0.000 3.130 939 V HA 0.810 4.930 4.120 -0.000 0.000 0.310 939 V C -1.013 175.242 176.094 0.268 0.000 1.158 939 V CA -1.418 60.982 62.300 0.168 0.000 1.029 939 V CB 1.872 33.763 31.823 0.113 0.000 1.057 939 V HN 0.980 nan 8.190 nan 0.000 0.436 940 Y N 1.421 121.791 120.300 0.117 0.000 2.482 940 Y HA 0.874 5.424 4.550 -0.000 0.000 0.334 940 Y C -1.808 174.178 175.900 0.143 0.000 1.091 940 Y CA -0.794 57.395 58.100 0.149 0.000 1.027 940 Y CB 1.790 40.378 38.460 0.212 0.000 1.306 940 Y HN 0.862 nan 8.280 nan 0.000 0.446 941 L N 4.484 125.714 121.223 0.012 0.000 2.869 941 L HA 0.641 4.981 4.340 -0.000 0.000 0.265 941 L C -1.815 175.087 176.870 0.054 0.000 1.011 941 L CA -1.023 53.742 54.840 -0.125 0.000 0.913 941 L CB 2.532 44.558 42.059 -0.055 0.000 1.490 941 L HN 0.941 nan 8.230 nan 0.000 0.410 942 R N 0.082 120.615 120.500 0.056 0.000 2.740 942 R HA 0.938 5.278 4.340 -0.000 0.000 0.273 942 R C -1.362 175.034 176.300 0.159 0.000 0.998 942 R CA -0.005 56.181 56.100 0.143 0.000 0.900 942 R CB 1.939 32.361 30.300 0.203 0.000 1.223 942 R HN 0.635 nan 8.270 nan 0.000 0.466 943 T N -2.833 111.846 114.554 0.207 0.000 2.693 943 T HA 0.546 4.896 4.350 -0.000 0.000 0.304 943 T C -2.875 171.995 174.700 0.284 0.000 1.471 943 T CA -1.884 60.353 62.100 0.228 0.000 0.993 943 T CB 0.805 69.763 68.868 0.150 0.000 1.554 943 T HN 0.444 nan 8.240 nan 0.000 0.496 944 P HA 0.377 nan 4.420 nan 0.000 0.261 944 P C -0.512 177.113 177.300 0.541 0.000 1.165 944 P CA 0.844 64.128 63.100 0.307 0.000 0.759 944 P CB -0.468 31.273 31.700 0.068 0.000 0.772 945 F N -1.347 118.620 119.950 0.028 0.000 2.183 945 F HA -0.039 4.488 4.527 -0.000 0.000 0.318 945 F C 0.390 176.217 175.800 0.045 0.000 1.015 945 F CA 0.247 58.268 58.000 0.036 0.000 0.912 945 F CB -1.727 37.280 39.000 0.013 0.000 4.135 945 F HN 0.473 nan 8.300 nan 0.000 0.137 946 S N 0.000 115.799 115.700 0.166 0.000 2.498 946 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 946 S CA 0.000 58.263 58.200 0.104 0.000 1.107 946 S CB 0.000 63.235 63.200 0.058 0.000 0.593 946 S HN 0.000 nan 8.310 nan 0.000 0.517