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_D DATA FIRST_RESID 2 DATA SEQUENCE ATPSMMPQWS YMHISGQDAS EYLSPGLVQF ARATETYFSL NNKFRNPTVA DATA SEQUENCE PTHDVTTDRS QRLTLRFIPV DREDTAYSYK ARFTLAVGDN RVLDMASTYF DATA SEQUENCE DIRGVLDRGP TFKPYSGTAY NALAPKGAPN PCEWDXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXTHVFGQ APYSGINITK EGIQIGVEGQ TPKYADKTFQ DATA SEQUENCE PEPQIGESQW YETEINHAAG RVLKKTTPMK PCYGSYAKPT NENGGQGILV DATA SEQUENCE KQQNGKLESQ VEMQFFSTTX XXXXXXXNLT PKVVLYSEDV DIETPDTHIS DATA SEQUENCE YMPTIKEGNS RELMGQQSMP NRPNYIAFRD NFIGLMYYNS TGNMGVLAGQ DATA SEQUENCE ASQLNAVVDL QDRNTELSYQ LLLDSIGDRT RYFSMWNQAV DSYDPDVRII DATA SEQUENCE ENHGTEDELP NYCFPLGGVI NTETLTKVKP KTGQENGWEK DAXXFSDKNE DATA SEQUENCE IRVGNNFAME INLNANLWRN FLYSNIALYL PDKLKYSPSN VKISDNPNTY DATA SEQUENCE DYMNKRVVAP GLVDCYINLG ARWSLDYMDN VNPFNHHRNA GLRYRSMLLG DATA SEQUENCE NGRYVPFHIQ VPQKFFAIKN LLLLPGSYTY EWNFRKDVNM VLQSSLGNDL DATA SEQUENCE RVDGASIKFD SICLYATFFP MAHNTASTLE AMLRNDTNDQ SFNDYLSAAN DATA SEQUENCE MLYPIPANAT NVPISIPSRN WAAFRGWAFT RLKTKETPSL GSGYDPYYTY DATA SEQUENCE SGSIPYLDGT FYLNHTFKKV AITFDSSVSW PGNDRLLTPN EFEIKRSVDG DATA SEQUENCE EGYNVAQCNM TKDWFLVQML ANYNIGYQGF YIPESYKDRM YSFFRNFQPM DATA SEQUENCE SRQVVDDTKY KDYQQVGILH QHNNSGFVGY LAPTMREGQA YPANFPYPLI DATA SEQUENCE GKTAVDSITQ KKFLCDRTLW RIPFSSNFMS MGALTDLGQN LLYANSAHAL DATA SEQUENCE DMTFEVDPMD EPTLLYVLFE VFDVVRVHRP HRGVIETVYL RTPFSAGNAT DATA SEQUENCE T VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.588 177.584 0.006 0.000 1.274 2 A CA 0.000 52.041 52.037 0.006 0.000 0.836 2 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 3 T N -0.703 113.852 114.554 0.002 0.000 2.991 3 T HA 0.677 5.027 4.350 -0.000 0.000 0.303 3 T C -2.023 172.677 174.700 -0.001 0.000 1.015 3 T CA -0.646 61.458 62.100 0.006 0.000 1.007 3 T CB 1.221 70.101 68.868 0.020 0.000 1.034 3 T HN 0.473 nan 8.240 nan 0.000 0.446 4 P HA 0.244 nan 4.420 nan 0.000 0.215 4 P C 0.980 178.246 177.300 -0.056 0.000 1.157 4 P CA 0.775 63.842 63.100 -0.056 0.000 0.869 4 P CB 0.129 31.787 31.700 -0.069 0.000 0.781 5 S N -3.613 112.076 115.700 -0.018 0.000 1.935 5 S HA -0.198 4.272 4.470 -0.000 0.000 0.248 5 S C 0.289 174.890 174.600 0.002 0.000 1.122 5 S CA 0.731 58.944 58.200 0.022 0.000 1.319 5 S CB -1.836 61.424 63.200 0.100 0.000 1.625 5 S HN 0.227 nan 8.310 nan 0.000 0.569 6 M N -0.493 119.070 119.600 -0.062 0.000 3.968 6 M HA -0.161 4.319 4.480 -0.000 0.000 0.158 6 M C -0.272 175.986 176.300 -0.070 0.000 1.518 6 M CA 1.615 56.873 55.300 -0.069 0.000 1.072 6 M CB -0.680 31.905 32.600 -0.025 0.000 1.340 6 M HN 0.799 nan 8.290 nan 0.000 0.278 7 M N 0.620 120.097 119.600 -0.204 0.000 4.311 7 M HA 0.407 4.887 4.480 -0.000 0.000 0.565 7 M C -2.147 173.853 176.300 -0.500 0.000 1.923 7 M CA -0.611 54.525 55.300 -0.272 0.000 0.604 7 M CB -0.965 31.444 32.600 -0.319 0.000 1.527 7 M HN 0.029 nan 8.290 nan 0.000 0.607 8 P HA -0.296 nan 4.420 nan 0.000 0.225 8 P C 1.133 178.299 177.300 -0.224 0.000 1.154 8 P CA 2.387 65.299 63.100 -0.313 0.000 0.885 8 P CB -0.227 31.337 31.700 -0.227 0.000 0.785 9 Q N -1.928 117.814 119.800 -0.098 0.000 2.268 9 Q HA -0.224 4.116 4.340 -0.000 0.000 0.213 9 Q C 1.833 178.005 176.000 0.287 0.000 0.995 9 Q CA 1.909 57.786 55.803 0.124 0.000 0.901 9 Q CB -0.968 27.890 28.738 0.201 0.000 0.921 9 Q HN 0.605 nan 8.270 nan 0.000 0.421 10 W N -2.053 119.323 121.300 0.126 0.000 2.974 10 W HA 0.376 5.036 4.660 0.000 0.000 0.250 10 W C 1.733 178.342 176.519 0.150 0.000 1.074 10 W CA 0.214 57.642 57.345 0.138 0.000 1.410 10 W CB -0.702 28.808 29.460 0.084 0.000 0.846 10 W HN 0.006 nan 8.180 nan 0.000 0.680 11 S N 1.504 117.079 115.700 -0.209 0.000 2.407 11 S HA -0.308 4.162 4.470 -0.000 0.000 0.235 11 S C 1.661 176.346 174.600 0.143 0.000 1.036 11 S CA 1.962 60.122 58.200 -0.067 0.000 1.013 11 S CB -0.902 62.121 63.200 -0.295 0.000 0.820 11 S HN 0.230 nan 8.310 nan 0.000 0.476 12 Y N 2.682 122.968 120.300 -0.024 0.000 2.044 12 Y HA -0.314 4.236 4.550 -0.000 0.000 0.212 12 Y C 1.813 177.693 175.900 -0.034 0.000 1.239 12 Y CA 2.276 60.364 58.100 -0.019 0.000 0.969 12 Y CB -0.803 37.660 38.460 0.005 0.000 0.768 12 Y HN 0.423 nan 8.280 nan 0.000 0.544 13 M N 0.234 119.975 119.600 0.234 0.000 3.168 13 M HA 0.102 4.582 4.480 -0.000 0.000 0.202 13 M C -0.223 176.182 176.300 0.175 0.000 1.310 13 M CA 0.706 56.045 55.300 0.065 0.000 1.302 13 M CB -1.671 30.951 32.600 0.037 0.000 1.484 13 M HN 0.486 nan 8.290 nan 0.000 0.434 14 H N 0.017 119.208 119.070 0.201 0.000 3.284 14 H HA -0.207 4.349 4.556 -0.000 0.000 0.257 14 H C 1.299 176.822 175.328 0.324 0.000 1.091 14 H CA 1.659 57.834 56.048 0.212 0.000 1.190 14 H CB -2.203 27.607 29.762 0.081 0.000 1.268 14 H HN 0.825 nan 8.280 nan 0.000 0.322 15 I N -2.339 118.468 120.570 0.394 0.000 2.700 15 I HA -0.043 4.127 4.170 -0.000 0.000 0.261 15 I C 0.232 176.554 176.117 0.340 0.000 1.219 15 I CA 1.060 62.565 61.300 0.343 0.000 1.463 15 I CB 0.073 38.271 38.000 0.331 0.000 1.092 15 I HN 0.053 nan 8.210 nan 0.000 0.452 16 S N 0.886 116.792 115.700 0.343 0.000 2.605 16 S HA 0.830 5.300 4.470 -0.000 0.000 0.308 16 S C -0.005 174.747 174.600 0.254 0.000 1.113 16 S CA -0.106 58.255 58.200 0.269 0.000 1.049 16 S CB 1.761 65.092 63.200 0.218 0.000 1.001 16 S HN 0.724 nan 8.310 nan 0.000 0.480 17 G N 2.234 111.153 108.800 0.198 0.000 2.356 17 G HA2 0.236 4.196 3.960 -0.000 0.000 0.266 17 G HA3 0.236 4.196 3.960 -0.000 0.000 0.266 17 G C -2.052 172.870 174.900 0.037 0.000 1.312 17 G CA -0.748 44.457 45.100 0.174 0.000 0.922 17 G HN 0.492 nan 8.290 nan 0.000 0.480 18 Q N -0.118 119.588 119.800 -0.157 0.000 2.699 18 Q HA 0.357 4.697 4.340 -0.000 0.000 0.240 18 Q C -0.480 175.206 176.000 -0.522 0.000 1.033 18 Q CA -0.833 54.809 55.803 -0.269 0.000 0.938 18 Q CB 0.695 29.299 28.738 -0.223 0.000 1.312 18 Q HN 0.678 nan 8.270 nan 0.000 0.507 19 D N 0.467 120.656 120.400 -0.351 0.000 2.461 19 D HA -0.084 4.556 4.640 -0.000 0.000 0.231 19 D C 0.825 176.764 176.300 -0.602 0.000 1.208 19 D CA 0.516 54.331 54.000 -0.309 0.000 0.879 19 D CB 0.423 41.116 40.800 -0.179 0.000 1.220 19 D HN 0.675 nan 8.370 nan 0.000 0.480 20 A N 1.817 124.443 122.820 -0.323 0.000 2.076 20 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 20 A C 2.216 179.703 177.584 -0.161 0.000 1.160 20 A CA 1.636 53.560 52.037 -0.188 0.000 0.653 20 A CB -0.345 18.735 19.000 0.133 0.000 0.801 20 A HN 0.495 nan 8.150 nan 0.000 0.455 21 S N 0.297 115.885 115.700 -0.187 0.000 2.344 21 S HA -0.156 4.314 4.470 -0.000 0.000 0.217 21 S C 1.466 175.985 174.600 -0.135 0.000 1.033 21 S CA 1.291 59.424 58.200 -0.112 0.000 1.017 21 S CB -0.443 62.697 63.200 -0.100 0.000 0.941 21 S HN 0.802 nan 8.310 nan 0.000 0.430 22 E N 1.707 121.758 120.200 -0.249 0.000 4.390 22 E HA -0.176 4.174 4.350 -0.000 0.000 0.579 22 E C 1.623 178.201 176.600 -0.037 0.000 0.443 22 E CA 0.822 57.103 56.400 -0.199 0.000 3.898 22 E CB -0.715 28.834 29.700 -0.252 0.000 2.141 22 E HN 0.484 nan 8.360 nan 0.000 0.302 23 Y N 0.135 120.322 120.300 -0.189 0.000 2.880 23 Y HA -0.312 4.238 4.550 -0.000 0.000 0.245 23 Y C 0.907 176.640 175.900 -0.278 0.000 1.431 23 Y CA 1.253 59.199 58.100 -0.256 0.000 1.130 23 Y CB -1.544 36.684 38.460 -0.387 0.000 0.615 23 Y HN 0.258 nan 8.280 nan 0.000 0.579 24 L N 3.563 124.830 121.223 0.073 0.000 2.283 24 L HA 0.204 4.544 4.340 -0.000 0.000 0.287 24 L C 0.754 177.595 176.870 -0.047 0.000 1.073 24 L CA 0.689 55.412 54.840 -0.195 0.000 0.822 24 L CB 0.412 42.204 42.059 -0.445 0.000 1.186 24 L HN 0.674 nan 8.230 nan 0.000 0.436 25 S N 5.299 120.979 115.700 -0.033 0.000 4.045 25 S HA -0.095 4.375 4.470 -0.000 0.000 0.208 25 S C -1.740 172.848 174.600 -0.022 0.000 0.369 25 S CA -0.530 57.660 58.200 -0.018 0.000 1.395 25 S CB -0.892 62.305 63.200 -0.006 0.000 1.660 25 S HN 0.581 nan 8.310 nan 0.000 0.307 26 P HA 0.084 nan 4.420 nan 0.000 0.278 26 P C 1.404 178.651 177.300 -0.089 0.000 1.366 26 P CA 1.003 64.074 63.100 -0.048 0.000 0.750 26 P CB -0.636 31.033 31.700 -0.052 0.000 1.271 27 G N 0.232 108.988 108.800 -0.073 0.000 2.411 27 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.213 27 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.213 27 G C 0.979 175.804 174.900 -0.124 0.000 1.166 27 G CA 0.136 45.171 45.100 -0.107 0.000 0.802 27 G HN 0.176 nan 8.290 nan 0.000 0.533 28 L N 1.068 122.286 121.223 -0.008 0.000 2.675 28 L HA 0.198 4.538 4.340 -0.000 0.000 0.238 28 L C 0.470 177.403 176.870 0.104 0.000 1.155 28 L CA 0.235 55.143 54.840 0.113 0.000 0.881 28 L CB -1.427 40.706 42.059 0.124 0.000 1.008 28 L HN 0.087 nan 8.230 nan 0.000 0.443 29 V N -0.154 119.702 119.914 -0.098 0.000 2.656 29 V HA 0.237 4.357 4.120 -0.000 0.000 0.312 29 V C 0.973 176.856 176.094 -0.353 0.000 1.181 29 V CA -0.130 62.099 62.300 -0.118 0.000 1.250 29 V CB 0.689 32.495 31.823 -0.027 0.000 1.468 29 V HN 0.345 nan 8.190 nan 0.000 0.651 30 Q N 0.150 119.403 119.800 -0.911 0.000 2.201 30 Q HA 0.287 4.627 4.340 -0.000 0.000 0.217 30 Q C 0.266 175.760 176.000 -0.842 0.000 0.860 30 Q CA 0.394 55.700 55.803 -0.829 0.000 0.984 30 Q CB 0.361 28.591 28.738 -0.846 0.000 1.095 30 Q HN 0.728 nan 8.270 nan 0.000 0.477 31 F N -1.215 118.745 119.950 0.017 0.000 2.017 31 F HA 0.396 4.923 4.527 -0.000 0.000 0.245 31 F C 1.028 176.828 175.800 0.000 0.000 1.060 31 F CA -0.237 57.770 58.000 0.011 0.000 1.231 31 F CB -1.003 38.014 39.000 0.028 0.000 1.527 31 F HN -0.072 nan 8.300 nan 0.000 0.636 32 A N 1.264 124.221 122.820 0.229 0.000 2.664 32 A HA 0.229 4.549 4.320 -0.000 0.000 0.228 32 A C 1.258 178.872 177.584 0.049 0.000 1.091 32 A CA 1.233 53.346 52.037 0.127 0.000 0.793 32 A CB -0.052 19.029 19.000 0.135 0.000 1.003 32 A HN 0.630 nan 8.150 nan 0.000 0.510 33 R N -1.614 118.902 120.500 0.027 0.000 2.532 33 R HA -0.158 4.182 4.340 -0.000 0.000 0.418 33 R C 0.496 176.774 176.300 -0.036 0.000 0.344 33 R CA 1.657 57.755 56.100 -0.002 0.000 1.412 33 R CB -2.098 28.197 30.300 -0.008 0.000 1.938 33 R HN 1.972 nan 8.270 nan 0.000 0.259 34 A N -0.081 122.706 122.820 -0.055 0.000 2.665 34 A HA 0.268 4.588 4.320 -0.000 0.000 0.268 34 A C 0.683 178.126 177.584 -0.236 0.000 1.044 34 A CA 0.832 52.790 52.037 -0.132 0.000 0.993 34 A CB 0.392 19.334 19.000 -0.096 0.000 1.229 34 A HN 0.297 nan 8.150 nan 0.000 0.576 35 T N -1.929 112.519 114.554 -0.176 0.000 3.339 35 T HA 0.348 4.698 4.350 -0.000 0.000 0.292 35 T C 0.061 174.686 174.700 -0.125 0.000 1.012 35 T CA 0.543 62.510 62.100 -0.221 0.000 0.937 35 T CB -0.528 68.351 68.868 0.019 0.000 1.164 35 T HN 0.465 nan 8.240 nan 0.000 0.509 36 E N -0.557 119.552 120.200 -0.151 0.000 3.085 36 E HA 0.152 4.502 4.350 -0.000 0.000 0.179 36 E C 0.612 177.230 176.600 0.029 0.000 0.951 36 E CA -0.310 56.164 56.400 0.124 0.000 1.326 36 E CB -0.130 29.686 29.700 0.194 0.000 1.043 36 E HN 0.329 nan 8.360 nan 0.000 0.457 37 T N -1.021 113.378 114.554 -0.258 0.000 3.107 37 T HA -0.002 4.348 4.350 -0.000 0.000 0.249 37 T C 0.697 175.377 174.700 -0.033 0.000 1.096 37 T CA 0.250 62.248 62.100 -0.170 0.000 1.012 37 T CB -0.453 68.257 68.868 -0.263 0.000 0.977 37 T HN 0.401 nan 8.240 nan 0.000 0.527 38 Y N -2.163 118.127 120.300 -0.017 0.000 2.610 38 Y HA 0.608 5.158 4.550 -0.000 0.000 0.254 38 Y C 0.519 176.623 175.900 0.339 0.000 1.110 38 Y CA -2.468 55.663 58.100 0.051 0.000 1.238 38 Y CB -0.257 38.160 38.460 -0.071 0.000 1.322 38 Y HN 0.086 nan 8.280 nan 0.000 0.547 39 F N 0.053 120.262 119.950 0.432 0.000 2.784 39 F HA 0.333 4.860 4.527 -0.000 0.000 0.323 39 F C 1.658 177.541 175.800 0.138 0.000 1.085 39 F CA -0.331 57.811 58.000 0.235 0.000 1.196 39 F CB -0.041 39.126 39.000 0.278 0.000 1.053 39 F HN -0.005 nan 8.300 nan 0.000 0.578 40 S N 0.660 116.540 115.700 0.300 0.000 3.214 40 S HA -0.240 4.230 4.470 -0.000 0.000 0.342 40 S C 1.676 176.373 174.600 0.162 0.000 1.204 40 S CA 0.496 58.800 58.200 0.173 0.000 0.984 40 S CB -1.187 62.089 63.200 0.126 0.000 0.975 40 S HN 0.404 nan 8.310 nan 0.000 0.607 41 L N 0.097 121.452 121.223 0.220 0.000 2.483 41 L HA -0.278 4.062 4.340 -0.000 0.000 0.224 41 L C 2.097 179.057 176.870 0.151 0.000 1.135 41 L CA 1.898 56.851 54.840 0.189 0.000 0.790 41 L CB -0.866 41.342 42.059 0.247 0.000 0.911 41 L HN 0.562 nan 8.230 nan 0.000 0.445 42 N N 0.987 119.763 118.700 0.126 0.000 2.060 42 N HA -0.221 4.519 4.740 -0.000 0.000 0.195 42 N C 1.033 176.616 175.510 0.123 0.000 1.028 42 N CA 1.376 54.491 53.050 0.109 0.000 0.861 42 N CB -0.118 38.416 38.487 0.078 0.000 1.029 42 N HN 0.457 nan 8.380 nan 0.000 0.428 43 N N 0.659 119.422 118.700 0.105 0.000 3.117 43 N HA -0.042 4.698 4.740 -0.000 0.000 0.323 43 N C -0.187 175.380 175.510 0.096 0.000 1.245 43 N CA 0.348 53.454 53.050 0.093 0.000 1.191 43 N CB 0.404 38.931 38.487 0.067 0.000 1.451 43 N HN 0.143 nan 8.380 nan 0.000 0.555 44 K N -0.494 119.989 120.400 0.139 0.000 2.504 44 K HA 0.258 4.578 4.320 -0.000 0.000 0.203 44 K C -0.427 176.279 176.600 0.177 0.000 1.350 44 K CA 0.116 56.487 56.287 0.141 0.000 0.953 44 K CB 0.455 33.057 32.500 0.171 0.000 1.243 44 K HN 0.265 nan 8.250 nan 0.000 0.534 45 F N 1.633 121.642 119.950 0.099 0.000 2.639 45 F HA 0.357 4.884 4.527 -0.000 0.000 0.339 45 F C -0.220 175.653 175.800 0.121 0.000 1.071 45 F CA -1.354 56.721 58.000 0.125 0.000 0.994 45 F CB 1.233 40.349 39.000 0.193 0.000 1.341 45 F HN -0.235 nan 8.300 nan 0.000 0.498 46 R N 2.131 122.826 120.500 0.325 0.000 2.216 46 R HA 0.307 4.647 4.340 -0.000 0.000 0.332 46 R C -1.158 175.344 176.300 0.337 0.000 1.056 46 R CA -0.399 55.851 56.100 0.250 0.000 0.901 46 R CB -0.027 30.355 30.300 0.137 0.000 1.039 46 R HN 0.410 nan 8.270 nan 0.000 0.456 47 N N 5.787 124.608 118.700 0.202 0.000 2.402 47 N HA 0.062 4.802 4.740 -0.000 0.000 0.259 47 N C -1.917 173.667 175.510 0.123 0.000 1.167 47 N CA -0.928 52.208 53.050 0.143 0.000 0.949 47 N CB 1.318 39.858 38.487 0.088 0.000 1.212 47 N HN 0.600 nan 8.380 nan 0.000 0.493 48 P HA 0.078 nan 4.420 nan 0.000 0.218 48 P C 0.538 177.875 177.300 0.062 0.000 1.826 48 P CA -0.192 62.982 63.100 0.122 0.000 0.946 48 P CB -0.385 31.433 31.700 0.197 0.000 1.728 49 T N -1.349 113.228 114.554 0.038 0.000 3.609 49 T HA 0.135 4.485 4.350 -0.000 0.000 0.245 49 T C 0.874 175.590 174.700 0.025 0.000 0.980 49 T CA -0.242 61.868 62.100 0.017 0.000 0.940 49 T CB -1.511 67.362 68.868 0.009 0.000 1.105 49 T HN -0.047 nan 8.240 nan 0.000 0.627 50 V N -0.252 119.685 119.914 0.038 0.000 3.128 50 V HA 0.054 4.174 4.120 -0.000 0.000 0.222 50 V C 0.767 176.878 176.094 0.028 0.000 1.696 50 V CA 0.479 62.802 62.300 0.038 0.000 1.381 50 V CB -1.497 30.350 31.823 0.040 0.000 1.241 50 V HN 1.212 nan 8.190 nan 0.000 0.461 51 A N -1.053 121.780 122.820 0.022 0.000 2.512 51 A HA 0.680 5.000 4.320 -0.000 0.000 0.294 51 A C -2.620 174.971 177.584 0.011 0.000 1.054 51 A CA -1.101 50.950 52.037 0.024 0.000 0.756 51 A CB 0.561 19.582 19.000 0.035 0.000 1.293 51 A HN 0.917 nan 8.150 nan 0.000 0.395 52 P HA 0.004 nan 4.420 nan 0.000 0.248 52 P C 0.781 178.118 177.300 0.062 0.000 1.127 52 P CA 0.984 64.092 63.100 0.012 0.000 0.801 52 P CB 0.385 32.193 31.700 0.179 0.000 0.732 53 T N 0.280 114.821 114.554 -0.020 0.000 3.034 53 T HA -0.026 4.324 4.350 -0.000 0.000 0.248 53 T C 1.278 176.064 174.700 0.144 0.000 1.040 53 T CA 0.391 62.520 62.100 0.049 0.000 1.107 53 T CB -0.409 68.464 68.868 0.008 0.000 0.932 53 T HN 0.602 nan 8.240 nan 0.000 0.474 54 H N 2.136 121.219 119.070 0.022 0.000 4.745 54 H HA 0.040 4.596 4.556 -0.000 0.000 0.284 54 H C -0.195 175.139 175.328 0.008 0.000 0.971 54 H CA -0.037 56.021 56.048 0.016 0.000 0.777 54 H CB -0.676 29.094 29.762 0.014 0.000 2.149 54 H HN 0.095 nan 8.280 nan 0.000 1.503 55 D N 1.216 121.627 120.400 0.018 0.000 2.389 55 D HA 0.263 4.904 4.640 -0.000 0.000 0.247 55 D C 0.493 176.761 176.300 -0.053 0.000 1.128 55 D CA 0.360 54.312 54.000 -0.080 0.000 0.884 55 D CB 1.857 42.547 40.800 -0.183 0.000 1.194 55 D HN 0.468 nan 8.370 nan 0.000 0.441 56 V N -1.783 118.116 119.914 -0.024 0.000 3.235 56 V HA 0.304 4.424 4.120 -0.000 0.000 0.309 56 V C 0.669 176.744 176.094 -0.031 0.000 1.725 56 V CA -0.772 61.518 62.300 -0.017 0.000 0.966 56 V CB 0.395 32.240 31.823 0.035 0.000 1.007 56 V HN 0.611 nan 8.190 nan 0.000 0.486 57 T N 0.933 115.471 114.554 -0.027 0.000 2.670 57 T HA 0.274 4.624 4.350 -0.000 0.000 0.409 57 T C 0.480 175.155 174.700 -0.042 0.000 1.060 57 T CA 1.341 63.426 62.100 -0.026 0.000 1.104 57 T CB -0.121 68.766 68.868 0.033 0.000 1.128 57 T HN 2.342 nan 8.240 nan 0.000 0.526 58 T N -1.634 112.896 114.554 -0.039 0.000 2.948 58 T HA 0.622 4.972 4.350 -0.000 0.000 0.285 58 T C -0.297 174.377 174.700 -0.044 0.000 1.019 58 T CA -0.109 61.927 62.100 -0.106 0.000 1.013 58 T CB 1.557 70.314 68.868 -0.185 0.000 1.117 58 T HN 0.824 nan 8.240 nan 0.000 0.533 59 D N -2.152 118.210 120.400 -0.063 0.000 2.567 59 D HA 0.192 4.832 4.640 -0.000 0.000 0.268 59 D C 0.333 176.607 176.300 -0.043 0.000 1.448 59 D CA -0.645 53.338 54.000 -0.029 0.000 0.811 59 D CB 0.132 40.919 40.800 -0.022 0.000 1.192 59 D HN 0.399 nan 8.370 nan 0.000 0.488 60 R N 0.038 120.488 120.500 -0.083 0.000 2.571 60 R HA 0.619 4.959 4.340 -0.000 0.000 0.259 60 R C -0.148 176.135 176.300 -0.028 0.000 1.226 60 R CA -0.644 55.405 56.100 -0.085 0.000 1.157 60 R CB 0.418 30.593 30.300 -0.210 0.000 1.220 60 R HN -0.115 nan 8.270 nan 0.000 0.605 61 S N 1.168 116.869 115.700 0.000 0.000 2.485 61 S HA 0.089 4.559 4.470 -0.000 0.000 0.312 61 S C -0.739 173.887 174.600 0.043 0.000 1.102 61 S CA -0.170 58.042 58.200 0.021 0.000 1.066 61 S CB 0.061 63.274 63.200 0.021 0.000 1.102 61 S HN 0.351 nan 8.310 nan 0.000 0.519 62 Q N 2.889 122.712 119.800 0.038 0.000 2.263 62 Q HA 0.397 4.737 4.340 -0.000 0.000 0.266 62 Q C -0.776 175.234 176.000 0.017 0.000 1.002 62 Q CA -0.801 55.024 55.803 0.037 0.000 0.790 62 Q CB 1.009 29.794 28.738 0.079 0.000 1.272 62 Q HN 0.526 nan 8.270 nan 0.000 0.435 63 R N 5.276 125.775 120.500 -0.001 0.000 2.280 63 R HA 0.295 4.635 4.340 -0.000 0.000 0.326 63 R C -0.134 176.165 176.300 -0.002 0.000 1.080 63 R CA -0.265 55.838 56.100 0.006 0.000 1.002 63 R CB 0.125 30.432 30.300 0.011 0.000 1.136 63 R HN 0.825 nan 8.270 nan 0.000 0.509 64 L N 1.706 122.945 121.223 0.026 0.000 1.929 64 L HA -0.128 4.212 4.340 -0.000 0.000 0.229 64 L C 0.916 177.885 176.870 0.165 0.000 1.086 64 L CA 1.545 56.445 54.840 0.099 0.000 0.798 64 L CB -1.647 40.508 42.059 0.159 0.000 0.898 64 L HN 0.516 nan 8.230 nan 0.000 0.436 65 T N -0.539 114.088 114.554 0.122 0.000 2.860 65 T HA 0.579 4.929 4.350 -0.000 0.000 0.299 65 T C -0.293 174.417 174.700 0.016 0.000 1.045 65 T CA -0.366 61.775 62.100 0.067 0.000 1.071 65 T CB 1.481 70.371 68.868 0.036 0.000 0.985 65 T HN 0.241 nan 8.240 nan 0.000 0.537 66 L N -0.239 120.953 121.223 -0.053 0.000 2.838 66 L HA 0.520 4.860 4.340 -0.000 0.000 0.266 66 L C -0.597 176.176 176.870 -0.161 0.000 1.040 66 L CA -1.104 53.718 54.840 -0.029 0.000 0.906 66 L CB 2.502 44.675 42.059 0.190 0.000 1.501 66 L HN 0.605 nan 8.230 nan 0.000 0.407 67 R N 0.869 121.339 120.500 -0.051 0.000 2.255 67 R HA 0.639 4.979 4.340 -0.000 0.000 0.326 67 R C -1.904 174.692 176.300 0.494 0.000 0.986 67 R CA -0.122 55.880 56.100 -0.163 0.000 0.847 67 R CB 0.637 30.767 30.300 -0.284 0.000 1.111 67 R HN 0.418 nan 8.270 nan 0.000 0.452 68 F N 5.495 125.484 119.950 0.066 0.000 2.539 68 F HA 0.479 5.006 4.527 -0.000 0.000 0.318 68 F C -0.063 176.092 175.800 0.590 0.000 1.135 68 F CA -1.057 57.097 58.000 0.257 0.000 0.915 68 F CB 1.859 40.955 39.000 0.161 0.000 1.176 68 F HN 0.299 nan 8.300 nan 0.000 0.440 69 I N 4.578 125.437 120.570 0.481 0.000 2.957 69 I HA 0.524 4.694 4.170 -0.000 0.000 0.310 69 I C -2.356 173.601 176.117 -0.265 0.000 1.063 69 I CA -2.575 58.839 61.300 0.190 0.000 1.033 69 I CB 3.150 41.228 38.000 0.131 0.000 1.230 69 I HN 0.299 nan 8.210 nan 0.000 0.447 70 P HA 0.151 nan 4.420 nan 0.000 0.282 70 P C -0.743 176.459 177.300 -0.163 0.000 1.259 70 P CA -0.220 62.600 63.100 -0.466 0.000 0.826 70 P CB 1.506 32.934 31.700 -0.452 0.000 1.064 71 V N -1.721 118.124 119.914 -0.114 0.000 2.169 71 V HA 0.600 4.720 4.120 -0.000 0.000 0.271 71 V C -0.901 175.178 176.094 -0.026 0.000 1.372 71 V CA -0.124 62.147 62.300 -0.049 0.000 1.348 71 V CB -1.037 30.765 31.823 -0.036 0.000 1.379 71 V HN 0.376 nan 8.190 nan 0.000 0.491 72 D N 1.727 122.124 120.400 -0.004 0.000 2.951 72 D HA 0.384 5.024 4.640 -0.000 0.000 0.262 72 D C -0.890 175.454 176.300 0.073 0.000 1.110 72 D CA -0.458 53.548 54.000 0.009 0.000 0.724 72 D CB 1.198 41.997 40.800 -0.002 0.000 1.516 72 D HN 0.610 nan 8.370 nan 0.000 0.447 73 R N 1.364 121.866 120.500 0.005 0.000 3.101 73 R HA 0.213 4.553 4.340 -0.000 0.000 0.242 73 R C -1.366 174.714 176.300 -0.366 0.000 1.831 73 R CA -0.657 55.407 56.100 -0.060 0.000 1.321 73 R CB 0.233 30.577 30.300 0.073 0.000 1.512 73 R HN 0.470 nan 8.270 nan 0.000 0.568 74 E N 3.277 123.169 120.200 -0.513 0.000 1.993 74 E HA 0.178 4.528 4.350 -0.000 0.000 0.271 74 E C -0.739 175.474 176.600 -0.645 0.000 1.008 74 E CA -0.590 55.534 56.400 -0.461 0.000 0.814 74 E CB 0.980 30.506 29.700 -0.290 0.000 1.098 74 E HN 0.342 nan 8.360 nan 0.000 0.407 75 D N 3.292 123.370 120.400 -0.537 0.000 2.355 75 D HA -0.028 4.612 4.640 -0.000 0.000 0.218 75 D C 0.070 176.217 176.300 -0.254 0.000 1.004 75 D CA 0.297 54.041 54.000 -0.426 0.000 0.880 75 D CB 0.421 41.060 40.800 -0.269 0.000 0.911 75 D HN 0.443 nan 8.370 nan 0.000 0.528 76 T N 0.502 114.910 114.554 -0.244 0.000 2.882 76 T HA 0.041 4.391 4.350 -0.000 0.000 0.330 76 T C 1.301 175.874 174.700 -0.212 0.000 1.075 76 T CA 1.044 63.032 62.100 -0.187 0.000 1.129 76 T CB 0.841 69.595 68.868 -0.191 0.000 1.071 76 T HN 0.336 nan 8.240 nan 0.000 0.531 77 A N 3.194 125.919 122.820 -0.158 0.000 1.387 77 A HA -0.279 4.041 4.320 -0.000 0.000 0.351 77 A C 0.862 178.471 177.584 0.042 0.000 1.649 77 A CA 2.865 54.785 52.037 -0.195 0.000 1.088 77 A CB -1.895 16.721 19.000 -0.639 0.000 1.472 77 A HN 1.921 nan 8.150 nan 0.000 0.721 78 Y N -3.486 116.862 120.300 0.080 0.000 3.380 78 Y HA 0.505 5.055 4.550 -0.000 0.000 0.336 78 Y C 0.066 176.006 175.900 0.067 0.000 0.983 78 Y CA 0.287 58.471 58.100 0.139 0.000 1.244 78 Y CB -0.872 37.781 38.460 0.321 0.000 1.331 78 Y HN 1.111 nan 8.280 nan 0.000 0.555 79 S N -0.799 114.836 115.700 -0.108 0.000 2.806 79 S HA 0.768 5.238 4.470 -0.000 0.000 0.306 79 S C -1.861 172.633 174.600 -0.176 0.000 1.167 79 S CA -0.875 57.283 58.200 -0.070 0.000 0.847 79 S CB 2.550 65.736 63.200 -0.024 0.000 1.216 79 S HN 0.208 nan 8.310 nan 0.000 0.532 80 Y N 0.215 120.303 120.300 -0.354 0.000 2.512 80 Y HA 0.753 5.303 4.550 -0.000 0.000 0.348 80 Y C -0.333 175.239 175.900 -0.547 0.000 0.990 80 Y CA -0.684 57.164 58.100 -0.420 0.000 1.033 80 Y CB 1.903 40.134 38.460 -0.381 0.000 1.259 80 Y HN 0.874 nan 8.280 nan 0.000 0.461 81 K N 2.071 122.476 120.400 0.009 0.000 2.430 81 K HA 0.946 5.266 4.320 -0.000 0.000 0.268 81 K C -1.984 174.684 176.600 0.114 0.000 1.043 81 K CA -0.695 55.564 56.287 -0.048 0.000 0.899 81 K CB 2.464 34.896 32.500 -0.114 0.000 1.472 81 K HN 0.834 nan 8.250 nan 0.000 0.451 82 A N 1.123 123.986 122.820 0.072 0.000 2.215 82 A HA 0.210 4.530 4.320 -0.000 0.000 0.340 82 A C -1.514 176.112 177.584 0.069 0.000 0.732 82 A CA -0.961 51.113 52.037 0.061 0.000 0.553 82 A CB 0.054 19.099 19.000 0.076 0.000 1.572 82 A HN 0.577 nan 8.150 nan 0.000 0.359 83 R N 0.929 121.447 120.500 0.029 0.000 2.524 83 R HA 0.893 5.233 4.340 -0.000 0.000 0.236 83 R C -0.120 176.152 176.300 -0.047 0.000 1.240 83 R CA -0.265 55.896 56.100 0.102 0.000 1.111 83 R CB -0.196 30.169 30.300 0.110 0.000 1.436 83 R HN 0.668 nan 8.270 nan 0.000 0.573 84 F N -0.342 119.718 119.950 0.184 0.000 2.138 84 F HA 0.263 4.790 4.527 -0.000 0.000 0.212 84 F C -0.116 175.755 175.800 0.118 0.000 1.162 84 F CA 0.995 59.092 58.000 0.162 0.000 1.251 84 F CB 0.539 39.653 39.000 0.189 0.000 1.676 84 F HN 0.707 nan 8.300 nan 0.000 0.409 85 T N 0.185 114.984 114.554 0.407 0.000 3.393 85 T HA 0.449 4.799 4.350 -0.000 0.000 0.433 85 T C -1.437 173.431 174.700 0.281 0.000 1.186 85 T CA -1.173 61.063 62.100 0.228 0.000 1.034 85 T CB -0.659 68.257 68.868 0.080 0.000 1.423 85 T HN 0.311 nan 8.240 nan 0.000 0.425 86 L N 0.308 121.669 121.223 0.230 0.000 2.720 86 L HA 1.121 5.461 4.340 -0.000 0.000 0.261 86 L C -0.354 176.604 176.870 0.147 0.000 1.046 86 L CA -0.854 54.139 54.840 0.255 0.000 0.886 86 L CB 1.186 43.413 42.059 0.279 0.000 1.493 86 L HN 1.794 nan 8.230 nan 0.000 0.407 87 A N -0.549 122.356 122.820 0.141 0.000 2.574 87 A HA 0.652 4.972 4.320 -0.000 0.000 0.298 87 A C -0.992 176.642 177.584 0.084 0.000 0.987 87 A CA 0.269 52.336 52.037 0.051 0.000 0.678 87 A CB 1.167 20.172 19.000 0.008 0.000 1.296 87 A HN 1.222 nan 8.150 nan 0.000 0.420 88 V N 1.049 120.993 119.914 0.051 0.000 3.432 88 V HA 0.505 4.625 4.120 -0.000 0.000 0.290 88 V C 1.141 177.255 176.094 0.032 0.000 1.591 88 V CA 1.560 63.907 62.300 0.078 0.000 1.069 88 V CB -0.121 31.797 31.823 0.159 0.000 0.892 88 V HN 2.810 nan 8.190 nan 0.000 0.436 89 G N 1.589 110.390 108.800 0.001 0.000 2.790 89 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.994 89 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.994 89 G C -0.240 174.652 174.900 -0.014 0.000 1.368 89 G CA 0.526 45.619 45.100 -0.012 0.000 0.961 89 G HN 0.578 nan 8.290 nan 0.000 0.537 90 D N -0.033 120.352 120.400 -0.025 0.000 2.319 90 D HA 0.244 4.884 4.640 -0.000 0.000 0.235 90 D C 1.496 177.743 176.300 -0.087 0.000 1.304 90 D CA 1.065 55.043 54.000 -0.036 0.000 0.894 90 D CB 0.081 40.860 40.800 -0.036 0.000 1.183 90 D HN 0.751 nan 8.370 nan 0.000 0.472 91 N N -1.707 116.924 118.700 -0.115 0.000 2.723 91 N HA -0.199 4.541 4.740 -0.000 0.000 0.203 91 N C -0.160 175.233 175.510 -0.195 0.000 1.197 91 N CA 1.944 54.851 53.050 -0.238 0.000 1.848 91 N CB -0.441 37.799 38.487 -0.412 0.000 0.911 91 N HN 0.588 nan 8.380 nan 0.000 0.520 92 R N 0.439 120.868 120.500 -0.119 0.000 2.692 92 R HA 0.716 5.056 4.340 -0.000 0.000 0.269 92 R C -1.961 174.399 176.300 0.100 0.000 1.030 92 R CA -0.027 56.031 56.100 -0.071 0.000 0.882 92 R CB 1.294 31.418 30.300 -0.294 0.000 1.250 92 R HN 0.290 nan 8.270 nan 0.000 0.465 93 V N -0.437 119.709 119.914 0.387 0.000 2.901 93 V HA 0.510 4.630 4.120 -0.000 0.000 0.257 93 V C -1.516 174.844 176.094 0.442 0.000 1.709 93 V CA -1.039 61.590 62.300 0.548 0.000 0.926 93 V CB 1.005 32.980 31.823 0.253 0.000 1.291 93 V HN 0.855 nan 8.190 nan 0.000 0.460 94 L N 1.763 122.966 121.223 -0.034 0.000 2.194 94 L HA 0.903 5.243 4.340 -0.000 0.000 0.248 94 L C -0.456 176.300 176.870 -0.190 0.000 1.071 94 L CA -0.220 54.508 54.840 -0.187 0.000 0.901 94 L CB 2.244 44.035 42.059 -0.448 0.000 1.497 94 L HN 1.111 nan 8.230 nan 0.000 0.442 95 D N -0.378 119.945 120.400 -0.127 0.000 2.340 95 D HA 0.234 4.874 4.640 -0.000 0.000 0.251 95 D C 0.443 176.687 176.300 -0.094 0.000 1.080 95 D CA -0.350 53.599 54.000 -0.084 0.000 0.971 95 D CB 0.940 41.731 40.800 -0.015 0.000 1.137 95 D HN 0.453 nan 8.370 nan 0.000 0.475 96 M N 1.360 120.922 119.600 -0.063 0.000 2.494 96 M HA 0.221 4.701 4.480 -0.000 0.000 0.232 96 M C 0.786 177.083 176.300 -0.005 0.000 1.137 96 M CA -0.011 55.266 55.300 -0.039 0.000 1.012 96 M CB -0.337 32.234 32.600 -0.048 0.000 1.567 96 M HN 0.410 nan 8.290 nan 0.000 0.486 97 A N 1.614 124.436 122.820 0.002 0.000 2.476 97 A HA 0.361 4.681 4.320 -0.000 0.000 0.263 97 A C 0.387 177.988 177.584 0.028 0.000 1.342 97 A CA -0.049 52.005 52.037 0.028 0.000 0.926 97 A CB -0.474 18.548 19.000 0.037 0.000 1.019 97 A HN 0.457 nan 8.150 nan 0.000 0.515 98 S N -1.385 114.325 115.700 0.017 0.000 2.333 98 S HA 0.478 4.948 4.470 -0.000 0.000 0.250 98 S C -0.671 173.928 174.600 -0.003 0.000 0.959 98 S CA 0.094 58.300 58.200 0.010 0.000 1.037 98 S CB -0.057 63.119 63.200 -0.040 0.000 1.215 98 S HN 0.641 nan 8.310 nan 0.000 0.410 99 T N 0.860 115.459 114.554 0.074 0.000 4.350 99 T HA 0.125 4.475 4.350 -0.000 0.000 0.164 99 T C -0.507 174.328 174.700 0.224 0.000 0.638 99 T CA -0.655 61.479 62.100 0.056 0.000 1.149 99 T CB -1.628 67.262 68.868 0.036 0.000 1.068 99 T HN 1.032 nan 8.240 nan 0.000 0.531 100 Y N 1.236 121.612 120.300 0.127 0.000 2.260 100 Y HA 0.821 5.371 4.550 -0.000 0.000 0.339 100 Y C -0.977 175.113 175.900 0.316 0.000 1.317 100 Y CA -1.414 56.834 58.100 0.248 0.000 1.514 100 Y CB 0.700 39.209 38.460 0.083 0.000 1.382 100 Y HN 0.310 nan 8.280 nan 0.000 0.581 101 F N 1.067 120.859 119.950 -0.264 0.000 2.578 101 F HA 0.244 4.771 4.527 -0.000 0.000 0.311 101 F C -0.384 175.253 175.800 -0.272 0.000 1.094 101 F CA -1.241 56.465 58.000 -0.489 0.000 0.923 101 F CB 1.751 40.619 39.000 -0.220 0.000 1.230 101 F HN 0.577 nan 8.300 nan 0.000 0.450 102 D N 2.285 122.539 120.400 -0.244 0.000 2.268 102 D HA 0.721 5.361 4.640 -0.000 0.000 0.249 102 D C -0.836 175.517 176.300 0.089 0.000 1.008 102 D CA 0.004 54.011 54.000 0.012 0.000 0.939 102 D CB 1.993 42.731 40.800 -0.104 0.000 1.170 102 D HN 0.355 nan 8.370 nan 0.000 0.468 103 I N 0.426 121.105 120.570 0.182 0.000 3.434 103 I HA 0.548 4.718 4.170 -0.000 0.000 0.317 103 I C -0.482 175.794 176.117 0.265 0.000 1.230 103 I CA -0.726 60.680 61.300 0.176 0.000 0.918 103 I CB 1.416 39.493 38.000 0.128 0.000 1.337 103 I HN 0.332 nan 8.210 nan 0.000 0.482 104 R N -0.801 119.799 120.500 0.167 0.000 2.728 104 R HA 0.794 5.134 4.340 -0.000 0.000 0.274 104 R C -0.759 175.374 176.300 -0.279 0.000 1.032 104 R CA -0.227 55.897 56.100 0.040 0.000 0.866 104 R CB 2.184 32.520 30.300 0.060 0.000 1.263 104 R HN 1.160 nan 8.270 nan 0.000 0.475 105 G N -0.320 108.206 108.800 -0.457 0.000 2.441 105 G HA2 0.353 4.313 3.960 -0.000 0.000 0.222 105 G HA3 0.353 4.313 3.960 -0.000 0.000 0.222 105 G C -1.745 172.815 174.900 -0.568 0.000 1.254 105 G CA -0.002 44.694 45.100 -0.672 0.000 0.959 105 G HN 0.448 nan 8.290 nan 0.000 0.474 106 V N -0.576 118.969 119.914 -0.614 0.000 4.087 106 V HA 0.985 5.105 4.120 -0.000 0.000 0.307 106 V C -0.633 175.344 176.094 -0.195 0.000 1.472 106 V CA 0.345 62.497 62.300 -0.248 0.000 0.924 106 V CB 1.619 33.408 31.823 -0.056 0.000 1.193 106 V HN 2.283 nan 8.190 nan 0.000 0.472 107 L N -0.610 120.562 121.223 -0.086 0.000 3.139 107 L HA 0.573 4.913 4.340 -0.000 0.000 0.254 107 L C -2.451 174.295 176.870 -0.207 0.000 0.963 107 L CA -0.342 54.460 54.840 -0.063 0.000 1.061 107 L CB 1.629 43.757 42.059 0.114 0.000 1.536 107 L HN 0.521 nan 8.230 nan 0.000 0.399 108 D N 0.216 120.495 120.400 -0.203 0.000 2.420 108 D HA 0.439 5.079 4.640 -0.000 0.000 0.255 108 D C 0.219 176.378 176.300 -0.236 0.000 1.185 108 D CA -0.355 53.495 54.000 -0.251 0.000 0.904 108 D CB 1.373 42.042 40.800 -0.218 0.000 1.102 108 D HN 0.652 nan 8.370 nan 0.000 0.534 109 R N 2.807 123.144 120.500 -0.272 0.000 2.395 109 R HA 0.155 4.495 4.340 -0.000 0.000 0.202 109 R C 0.489 176.584 176.300 -0.341 0.000 1.088 109 R CA 0.796 56.660 56.100 -0.394 0.000 1.090 109 R CB -0.816 29.175 30.300 -0.515 0.000 0.876 109 R HN 0.435 nan 8.270 nan 0.000 0.477 110 G N 0.085 108.745 108.800 -0.234 0.000 2.977 110 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.686 110 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.686 110 G C -2.119 172.699 174.900 -0.137 0.000 1.088 110 G CA -0.408 44.581 45.100 -0.186 0.000 0.845 110 G HN 0.194 nan 8.290 nan 0.000 0.565 111 P HA 0.151 nan 4.420 nan 0.000 0.285 111 P C 0.568 177.803 177.300 -0.108 0.000 1.521 111 P CA 1.340 64.399 63.100 -0.068 0.000 0.792 111 P CB -0.252 31.417 31.700 -0.052 0.000 1.613 112 T N -3.274 111.176 114.554 -0.173 0.000 3.298 112 T HA 0.514 4.864 4.350 -0.000 0.000 0.318 112 T C -1.060 173.586 174.700 -0.090 0.000 1.165 112 T CA -0.651 61.223 62.100 -0.376 0.000 1.557 112 T CB -0.574 67.742 68.868 -0.921 0.000 0.898 112 T HN -0.159 nan 8.240 nan 0.000 0.585 113 F N 1.467 121.329 119.950 -0.147 0.000 2.608 113 F HA 0.798 5.325 4.527 -0.000 0.000 0.309 113 F C -1.322 174.413 175.800 -0.109 0.000 1.103 113 F CA -1.212 56.709 58.000 -0.131 0.000 0.954 113 F CB 2.345 41.272 39.000 -0.122 0.000 1.267 113 F HN 0.535 nan 8.300 nan 0.000 0.444 114 K N 6.858 126.688 120.400 -0.951 0.000 2.606 114 K HA 0.421 4.741 4.320 -0.000 0.000 0.259 114 K C -2.756 173.115 176.600 -1.216 0.000 1.001 114 K CA -1.196 54.534 56.287 -0.930 0.000 0.881 114 K CB 2.118 34.274 32.500 -0.575 0.000 1.288 114 K HN 0.189 nan 8.250 nan 0.000 0.452 115 P HA 0.001 nan 4.420 nan 0.000 0.227 115 P C -0.263 176.895 177.300 -0.237 0.000 1.161 115 P CA 0.825 63.565 63.100 -0.600 0.000 0.788 115 P CB -0.012 31.577 31.700 -0.184 0.000 0.822 116 Y N -1.859 118.253 120.300 -0.313 0.000 2.518 116 Y HA 0.687 5.237 4.550 -0.000 0.000 0.150 116 Y C -0.256 175.595 175.900 -0.082 0.000 1.318 116 Y CA -0.639 57.392 58.100 -0.115 0.000 1.605 116 Y CB -0.144 38.287 38.460 -0.049 0.000 1.099 116 Y HN -0.289 nan 8.280 nan 0.000 0.380 117 S N -0.475 115.312 115.700 0.146 0.000 2.277 117 S HA 0.519 4.989 4.470 -0.000 0.000 0.230 117 S C -0.526 174.157 174.600 0.138 0.000 0.893 117 S CA -0.453 57.769 58.200 0.037 0.000 1.044 117 S CB 0.371 63.616 63.200 0.075 0.000 1.252 117 S HN 1.848 nan 8.310 nan 0.000 0.393 118 G N 1.540 110.360 108.800 0.034 0.000 2.602 118 G HA2 0.146 4.106 3.960 -0.000 0.000 0.291 118 G HA3 0.146 4.106 3.960 -0.000 0.000 0.291 118 G C 0.158 175.165 174.900 0.179 0.000 0.988 118 G CA 0.075 45.250 45.100 0.125 0.000 1.295 118 G HN 1.116 nan 8.290 nan 0.000 0.630 119 T N -0.033 114.527 114.554 0.011 0.000 6.045 119 T HA 0.055 4.405 4.350 -0.000 0.000 0.342 119 T C 2.023 176.748 174.700 0.042 0.000 0.992 119 T CA 4.213 66.306 62.100 -0.012 0.000 0.804 119 T CB -0.119 68.749 68.868 0.000 0.000 0.779 119 T HN 2.232 nan 8.240 nan 0.000 0.266 120 A N -2.027 120.680 122.820 -0.188 0.000 1.429 120 A HA 0.338 4.658 4.320 -0.000 0.000 0.212 120 A C -0.267 177.032 177.584 -0.476 0.000 1.863 120 A CA -0.010 51.774 52.037 -0.420 0.000 1.494 120 A CB -0.199 18.397 19.000 -0.673 0.000 1.413 120 A HN 0.668 nan 8.150 nan 0.000 0.338 121 Y N 2.547 122.923 120.300 0.126 0.000 2.745 121 Y HA 0.244 4.794 4.550 -0.000 0.000 0.335 121 Y C 0.899 176.844 175.900 0.075 0.000 1.212 121 Y CA 0.506 58.655 58.100 0.082 0.000 1.535 121 Y CB -0.918 37.634 38.460 0.154 0.000 1.220 121 Y HN 0.506 nan 8.280 nan 0.000 0.531 122 N N 1.149 119.899 118.700 0.083 0.000 2.689 122 N HA -0.299 4.441 4.740 -0.000 0.000 0.263 122 N C 0.926 176.380 175.510 -0.092 0.000 0.987 122 N CA 0.045 53.102 53.050 0.012 0.000 0.782 122 N CB -0.167 38.361 38.487 0.068 0.000 0.903 122 N HN 0.874 nan 8.380 nan 0.000 0.547 123 A N 0.238 122.946 122.820 -0.187 0.000 1.930 123 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 123 A C 1.735 178.860 177.584 -0.765 0.000 1.175 123 A CA 0.892 52.652 52.037 -0.462 0.000 0.627 123 A CB -0.004 18.868 19.000 -0.214 0.000 0.815 123 A HN 0.482 nan 8.150 nan 0.000 0.443 124 L N -0.279 120.711 121.223 -0.389 0.000 2.645 124 L HA 0.283 4.623 4.340 -0.000 0.000 0.234 124 L C 0.812 177.528 176.870 -0.257 0.000 1.165 124 L CA -0.095 54.565 54.840 -0.300 0.000 0.944 124 L CB -0.539 41.425 42.059 -0.159 0.000 1.149 124 L HN 0.331 nan 8.230 nan 0.000 0.446 125 A N 0.067 122.695 122.820 -0.319 0.000 2.305 125 A HA 0.679 4.999 4.320 -0.000 0.000 0.322 125 A C -2.240 175.286 177.584 -0.096 0.000 1.187 125 A CA -1.544 50.401 52.037 -0.152 0.000 0.825 125 A CB 0.538 19.498 19.000 -0.067 0.000 1.164 125 A HN -0.080 nan 8.150 nan 0.000 0.498 126 P HA 0.088 nan 4.420 nan 0.000 0.276 126 P C 0.311 177.715 177.300 0.173 0.000 1.264 126 P CA 0.049 63.203 63.100 0.091 0.000 0.815 126 P CB 0.537 32.266 31.700 0.049 0.000 1.121 127 K N -0.164 120.322 120.400 0.143 0.000 2.218 127 K HA 0.219 4.539 4.320 -0.000 0.000 0.222 127 K C 1.226 177.868 176.600 0.071 0.000 1.030 127 K CA 0.942 57.296 56.287 0.112 0.000 0.946 127 K CB -1.145 31.391 32.500 0.060 0.000 1.000 127 K HN 0.528 nan 8.250 nan 0.000 0.461 128 G N 0.425 109.253 108.800 0.048 0.000 2.662 128 G HA2 0.326 4.286 3.960 -0.000 0.000 0.285 128 G HA3 0.326 4.286 3.960 -0.000 0.000 0.285 128 G C -0.611 174.307 174.900 0.030 0.000 0.672 128 G CA 0.672 45.793 45.100 0.036 0.000 2.098 128 G HN 0.353 nan 8.290 nan 0.000 0.538 129 A N 3.890 126.731 122.820 0.034 0.000 2.741 129 A HA 0.665 4.985 4.320 -0.000 0.000 0.298 129 A C -2.660 174.940 177.584 0.027 0.000 1.153 129 A CA -1.017 51.035 52.037 0.025 0.000 0.816 129 A CB 1.911 20.931 19.000 0.032 0.000 1.396 129 A HN 0.372 nan 8.150 nan 0.000 0.407 130 P HA 0.268 nan 4.420 nan 0.000 0.297 130 P C -0.593 176.715 177.300 0.014 0.000 1.303 130 P CA -0.589 62.520 63.100 0.016 0.000 0.753 130 P CB 0.720 32.424 31.700 0.007 0.000 1.281 131 N N 0.049 118.761 118.700 0.019 0.000 2.483 131 N HA 0.289 5.029 4.740 -0.000 0.000 0.267 131 N C -2.490 173.036 175.510 0.026 0.000 0.998 131 N CA -1.603 51.461 53.050 0.023 0.000 0.918 131 N CB 0.885 39.392 38.487 0.033 0.000 1.215 131 N HN 0.201 nan 8.380 nan 0.000 0.500 132 P HA -0.078 nan 4.420 nan 0.000 0.272 132 P C -0.136 177.208 177.300 0.074 0.000 1.210 132 P CA 0.075 63.198 63.100 0.039 0.000 0.789 132 P CB 0.653 32.372 31.700 0.032 0.000 0.849 133 C N -1.138 118.231 119.300 0.114 0.000 3.179 133 C HA 0.250 4.710 4.460 -0.000 0.000 0.301 133 C C -1.048 174.076 174.990 0.225 0.000 1.351 133 C CA -0.547 58.557 59.018 0.144 0.000 1.143 133 C CB 0.183 27.993 27.740 0.118 0.000 1.493 133 C HN 0.739 nan 8.230 nan 0.000 0.406 134 E N -0.329 120.020 120.200 0.249 0.000 2.447 134 E HA 0.724 5.074 4.350 -0.000 0.000 0.258 134 E C -0.333 176.505 176.600 0.397 0.000 0.916 134 E CA -0.389 56.237 56.400 0.377 0.000 0.846 134 E CB 0.408 30.296 29.700 0.313 0.000 1.517 134 E HN 0.977 nan 8.360 nan 0.000 0.418 135 W N -1.132 120.219 121.300 0.084 0.000 2.977 135 W HA 0.520 5.180 4.660 -0.000 0.000 0.236 135 W C -0.534 176.000 176.519 0.026 0.000 1.053 135 W CA 0.267 57.628 57.345 0.027 0.000 1.375 135 W CB 1.033 30.481 29.460 -0.020 0.000 0.814 135 W HN 0.412 nan 8.180 nan 0.000 0.713 167 H N 0.996 120.047 119.070 -0.031 0.000 3.038 167 H HA 0.940 5.496 4.556 -0.000 0.000 0.289 167 H C -0.854 174.562 175.328 0.146 0.000 1.510 167 H CA 0.154 56.228 56.048 0.044 0.000 1.227 167 H CB 2.106 31.950 29.762 0.137 0.000 1.880 167 H HN 1.012 nan 8.280 nan 0.000 0.594 168 V N -0.859 119.020 119.914 -0.058 0.000 3.121 168 V HA 0.505 4.625 4.120 -0.000 0.000 0.263 168 V C -1.840 174.408 176.094 0.256 0.000 1.795 168 V CA -1.018 61.364 62.300 0.136 0.000 0.979 168 V CB 1.872 33.799 31.823 0.173 0.000 1.335 168 V HN 0.917 nan 8.190 nan 0.000 0.462 169 F N 0.683 120.716 119.950 0.138 0.000 2.592 169 F HA 0.610 5.137 4.527 -0.000 0.000 0.298 169 F C -0.180 175.695 175.800 0.125 0.000 0.959 169 F CA 0.198 58.285 58.000 0.145 0.000 0.992 169 F CB 0.819 39.892 39.000 0.120 0.000 1.285 169 F HN 1.469 nan 8.300 nan 0.000 0.560 170 G N 3.587 112.729 108.800 0.569 0.000 3.453 170 G HA2 0.607 4.567 3.960 -0.000 0.000 0.165 170 G HA3 0.607 4.567 3.960 -0.000 0.000 0.165 170 G C -0.901 174.099 174.900 0.168 0.000 1.220 170 G CA 0.260 45.459 45.100 0.165 0.000 1.305 170 G HN 0.783 nan 8.290 nan 0.000 0.695 171 Q N -2.126 117.742 119.800 0.113 0.000 3.073 171 Q HA 0.472 4.812 4.340 -0.000 0.000 0.308 171 Q C -2.259 173.770 176.000 0.048 0.000 0.885 171 Q CA 0.040 55.898 55.803 0.092 0.000 0.852 171 Q CB 0.806 29.602 28.738 0.096 0.000 1.666 171 Q HN 2.128 nan 8.270 nan 0.000 0.542 172 A N 1.916 124.765 122.820 0.049 0.000 1.481 172 A HA 0.425 4.745 4.320 -0.000 0.000 0.235 172 A C -2.901 174.720 177.584 0.062 0.000 0.954 172 A CA -0.837 51.225 52.037 0.042 0.000 0.760 172 A CB 0.088 19.096 19.000 0.013 0.000 0.729 172 A HN 0.265 nan 8.150 nan 0.000 0.325 173 P HA 0.679 nan 4.420 nan 0.000 0.276 173 P C -0.472 176.965 177.300 0.228 0.000 1.243 173 P CA 0.385 63.561 63.100 0.126 0.000 0.768 173 P CB 0.046 31.820 31.700 0.122 0.000 0.856 174 Y N 0.314 120.635 120.300 0.034 0.000 3.112 174 Y HA 0.200 4.750 4.550 -0.000 0.000 0.424 174 Y C -1.109 174.809 175.900 0.031 0.000 1.212 174 Y CA -0.440 57.679 58.100 0.033 0.000 1.157 174 Y CB -0.284 38.190 38.460 0.024 0.000 2.530 174 Y HN 0.356 nan 8.280 nan 0.000 0.403 175 S N 1.718 117.143 115.700 -0.459 0.000 2.849 175 S HA 0.444 4.914 4.470 -0.000 0.000 0.141 175 S C -0.323 174.199 174.600 -0.131 0.000 1.109 175 S CA -0.031 58.038 58.200 -0.219 0.000 1.106 175 S CB -0.648 62.423 63.200 -0.215 0.000 1.637 175 S HN 1.410 nan 8.310 nan 0.000 0.457 176 G N 2.483 111.344 108.800 0.102 0.000 2.945 176 G HA2 0.151 4.111 3.960 -0.000 0.000 0.248 176 G HA3 0.151 4.111 3.960 -0.000 0.000 0.248 176 G C 1.295 176.190 174.900 -0.008 0.000 1.250 176 G CA -0.271 44.899 45.100 0.118 0.000 0.886 176 G HN 0.645 nan 8.290 nan 0.000 0.609 177 I N 0.858 121.422 120.570 -0.010 0.000 2.358 177 I HA -0.201 3.969 4.170 -0.000 0.000 0.257 177 I C 1.229 177.223 176.117 -0.204 0.000 1.123 177 I CA 2.385 63.643 61.300 -0.070 0.000 1.393 177 I CB -1.472 36.503 38.000 -0.041 0.000 1.073 177 I HN 0.857 nan 8.210 nan 0.000 0.437 178 N N -0.490 118.074 118.700 -0.227 0.000 5.090 178 N HA 0.008 4.748 4.740 -0.000 0.000 0.201 178 N C -0.704 174.690 175.510 -0.194 0.000 1.159 178 N CA -0.744 52.035 53.050 -0.451 0.000 0.796 178 N CB 0.226 38.258 38.487 -0.758 0.000 1.567 178 N HN 0.016 nan 8.380 nan 0.000 0.504 179 I N -0.054 120.456 120.570 -0.100 0.000 2.293 179 I HA 0.278 4.448 4.170 -0.000 0.000 0.299 179 I C 0.544 176.647 176.117 -0.023 0.000 1.153 179 I CA -0.086 61.208 61.300 -0.011 0.000 1.302 179 I CB -0.104 37.938 38.000 0.071 0.000 1.460 179 I HN 0.477 nan 8.210 nan 0.000 0.552 180 T N 4.078 118.607 114.554 -0.041 0.000 2.973 180 T HA 0.452 4.802 4.350 -0.000 0.000 0.308 180 T C 1.036 175.717 174.700 -0.032 0.000 1.177 180 T CA -0.608 61.478 62.100 -0.023 0.000 0.938 180 T CB 0.723 69.586 68.868 -0.009 0.000 1.791 180 T HN 0.610 nan 8.240 nan 0.000 0.581 181 K N -0.346 120.047 120.400 -0.012 0.000 2.538 181 K HA 0.275 4.595 4.320 -0.000 0.000 0.215 181 K C 0.914 177.504 176.600 -0.016 0.000 1.345 181 K CA 0.088 56.369 56.287 -0.010 0.000 0.985 181 K CB 0.564 33.079 32.500 0.025 0.000 1.116 181 K HN 0.546 nan 8.250 nan 0.000 0.582 182 E N 1.133 121.318 120.200 -0.025 0.000 2.548 182 E HA 0.194 4.544 4.350 -0.000 0.000 0.206 182 E C -0.577 176.024 176.600 0.001 0.000 1.005 182 E CA -0.067 56.286 56.400 -0.077 0.000 0.951 182 E CB 0.591 30.207 29.700 -0.140 0.000 1.035 182 E HN 0.401 nan 8.360 nan 0.000 0.470 183 G N 1.762 110.596 108.800 0.057 0.000 2.885 183 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.685 183 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.685 183 G C -0.390 174.564 174.900 0.090 0.000 1.216 183 G CA -0.559 44.617 45.100 0.127 0.000 0.790 183 G HN 0.258 nan 8.290 nan 0.000 0.631 184 I N 2.884 123.489 120.570 0.059 0.000 2.886 184 I HA 0.077 4.247 4.170 -0.000 0.000 0.293 184 I C 1.160 177.291 176.117 0.023 0.000 1.157 184 I CA -0.161 61.148 61.300 0.015 0.000 1.472 184 I CB -0.160 37.835 38.000 -0.007 0.000 1.492 184 I HN 0.697 nan 8.210 nan 0.000 0.652 185 Q N 4.388 124.199 119.800 0.018 0.000 2.506 185 Q HA -0.183 4.157 4.340 -0.000 0.000 0.384 185 Q C 1.006 177.008 176.000 0.004 0.000 1.368 185 Q CA 1.701 57.516 55.803 0.020 0.000 1.067 185 Q CB 0.693 29.428 28.738 -0.006 0.000 1.245 185 Q HN 0.905 nan 8.270 nan 0.000 0.468 186 I N -1.930 118.640 120.570 -0.001 0.000 3.718 186 I HA 0.429 4.599 4.170 -0.000 0.000 0.297 186 I C 0.887 177.003 176.117 -0.001 0.000 1.220 186 I CA 0.848 62.143 61.300 -0.009 0.000 1.381 186 I CB 0.770 38.747 38.000 -0.038 0.000 1.238 186 I HN 0.764 nan 8.210 nan 0.000 0.448 187 G N 1.273 110.072 108.800 -0.002 0.000 2.181 187 G HA2 0.271 4.231 3.960 -0.000 0.000 0.098 187 G HA3 0.271 4.231 3.960 -0.000 0.000 0.098 187 G C -0.936 173.965 174.900 0.002 0.000 1.237 187 G CA 0.128 45.228 45.100 0.001 0.000 1.238 187 G HN 1.067 nan 8.290 nan 0.000 0.468 188 V N -2.701 117.214 119.914 0.002 0.000 2.903 188 V HA 0.776 4.896 4.120 -0.000 0.000 0.289 188 V C 0.305 176.400 176.094 0.002 0.000 1.355 188 V CA 0.537 62.838 62.300 0.003 0.000 0.953 188 V CB 1.224 33.050 31.823 0.007 0.000 1.102 188 V HN 1.191 nan 8.190 nan 0.000 0.435 189 E N 2.799 122.999 120.200 -0.001 0.000 2.244 189 E HA 0.228 4.578 4.350 -0.000 0.000 0.196 189 E C 1.293 177.894 176.600 0.002 0.000 0.939 189 E CA 1.182 57.582 56.400 0.000 0.000 0.884 189 E CB 1.072 30.770 29.700 -0.003 0.000 0.850 189 E HN 0.980 nan 8.360 nan 0.000 0.481 190 G N 0.043 108.844 108.800 0.003 0.000 2.529 190 G HA2 0.039 3.999 3.960 -0.000 0.000 0.220 190 G HA3 0.039 3.999 3.960 -0.000 0.000 0.220 190 G C 1.107 176.010 174.900 0.006 0.000 1.976 190 G CA 0.380 45.483 45.100 0.005 0.000 0.789 190 G HN 0.154 nan 8.290 nan 0.000 0.695 191 Q N -1.509 118.296 119.800 0.009 0.000 1.773 191 Q HA 0.081 4.421 4.340 -0.000 0.000 0.185 191 Q C 0.671 176.680 176.000 0.014 0.000 0.660 191 Q CA -0.007 55.802 55.803 0.010 0.000 0.761 191 Q CB 0.412 29.155 28.738 0.009 0.000 1.213 191 Q HN 0.391 nan 8.270 nan 0.000 0.399 192 T N 4.124 118.688 114.554 0.017 0.000 2.856 192 T HA 0.060 4.410 4.350 -0.000 0.000 0.329 192 T C -2.400 172.321 174.700 0.035 0.000 1.094 192 T CA -0.570 61.545 62.100 0.025 0.000 1.112 192 T CB 0.467 69.352 68.868 0.029 0.000 1.009 192 T HN -0.055 nan 8.240 nan 0.000 0.550 193 P HA 0.202 nan 4.420 nan 0.000 0.269 193 P C -1.073 176.297 177.300 0.115 0.000 1.263 193 P CA -0.027 63.109 63.100 0.061 0.000 0.813 193 P CB -0.029 31.698 31.700 0.046 0.000 0.868 194 K N 4.176 124.637 120.400 0.102 0.000 2.339 194 K HA 0.224 4.544 4.320 -0.000 0.000 0.264 194 K C 0.688 177.369 176.600 0.135 0.000 0.986 194 K CA -0.660 55.694 56.287 0.111 0.000 0.866 194 K CB 1.194 33.699 32.500 0.007 0.000 1.103 194 K HN 0.399 nan 8.250 nan 0.000 0.441 195 Y N 1.470 121.758 120.300 -0.021 0.000 2.612 195 Y HA 0.559 5.109 4.550 -0.000 0.000 0.239 195 Y C 0.452 176.335 175.900 -0.027 0.000 0.995 195 Y CA -0.431 57.656 58.100 -0.022 0.000 1.026 195 Y CB 0.146 38.595 38.460 -0.019 0.000 1.046 195 Y HN 0.549 nan 8.280 nan 0.000 0.467 196 A N -0.339 122.296 122.820 -0.307 0.000 2.555 196 A HA 0.204 4.524 4.320 -0.000 0.000 0.299 196 A C -1.849 175.575 177.584 -0.266 0.000 0.962 196 A CA -0.718 51.145 52.037 -0.291 0.000 0.646 196 A CB -0.203 18.745 19.000 -0.086 0.000 1.327 196 A HN 0.515 nan 8.150 nan 0.000 0.428 197 D N 0.442 120.673 120.400 -0.282 0.000 2.414 197 D HA 0.373 5.013 4.640 -0.000 0.000 0.251 197 D C 0.492 176.680 176.300 -0.187 0.000 1.252 197 D CA 0.271 54.132 54.000 -0.232 0.000 0.999 197 D CB 0.720 41.339 40.800 -0.302 0.000 1.093 197 D HN 0.600 nan 8.370 nan 0.000 0.515 198 K N -0.960 119.305 120.400 -0.226 0.000 2.972 198 K HA 0.159 4.479 4.320 -0.000 0.000 0.209 198 K C 0.306 176.713 176.600 -0.321 0.000 1.128 198 K CA -0.275 55.783 56.287 -0.382 0.000 1.024 198 K CB 0.322 32.507 32.500 -0.525 0.000 0.754 198 K HN 0.347 nan 8.250 nan 0.000 0.454 199 T N -1.824 112.610 114.554 -0.200 0.000 3.397 199 T HA 0.120 4.470 4.350 -0.000 0.000 0.233 199 T C 1.369 176.086 174.700 0.027 0.000 0.969 199 T CA -0.018 62.031 62.100 -0.086 0.000 1.316 199 T CB -0.744 68.103 68.868 -0.035 0.000 1.175 199 T HN 0.279 nan 8.240 nan 0.000 0.381 200 F N 1.896 121.833 119.950 -0.023 0.000 2.727 200 F HA 0.504 5.031 4.527 -0.000 0.000 0.302 200 F C 0.357 176.160 175.800 0.005 0.000 1.097 200 F CA -1.014 56.983 58.000 -0.005 0.000 1.330 200 F CB -0.043 38.950 39.000 -0.011 0.000 1.084 200 F HN 0.069 nan 8.300 nan 0.000 0.578 201 Q N 3.619 123.301 119.800 -0.197 0.000 2.347 201 Q HA 0.432 4.772 4.340 -0.000 0.000 0.262 201 Q C -2.521 173.503 176.000 0.040 0.000 0.980 201 Q CA -2.108 53.616 55.803 -0.132 0.000 0.867 201 Q CB 1.666 30.198 28.738 -0.342 0.000 1.242 201 Q HN 0.165 nan 8.270 nan 0.000 0.453 202 P HA 0.542 nan 4.420 nan 0.000 0.348 202 P C -1.004 176.345 177.300 0.082 0.000 1.208 202 P CA -0.557 62.580 63.100 0.060 0.000 0.780 202 P CB 1.380 33.079 31.700 -0.002 0.000 1.684 203 E N -1.841 118.383 120.200 0.039 0.000 2.437 203 E HA 0.289 4.639 4.350 -0.000 0.000 0.280 203 E C -2.153 174.454 176.600 0.011 0.000 1.044 203 E CA -1.062 55.362 56.400 0.041 0.000 0.826 203 E CB 0.774 30.505 29.700 0.052 0.000 1.358 203 E HN 0.186 nan 8.360 nan 0.000 0.459 204 P HA -0.187 nan 4.420 nan 0.000 0.221 204 P C 0.624 177.926 177.300 0.003 0.000 1.150 204 P CA 0.999 64.109 63.100 0.016 0.000 0.800 204 P CB 0.158 31.875 31.700 0.029 0.000 0.787 205 Q N 0.661 120.462 119.800 0.001 0.000 2.678 205 Q HA -0.049 4.291 4.340 -0.000 0.000 0.218 205 Q C 0.564 176.552 176.000 -0.020 0.000 0.956 205 Q CA 0.638 56.437 55.803 -0.008 0.000 0.993 205 Q CB -1.142 27.592 28.738 -0.007 0.000 1.007 205 Q HN 0.387 nan 8.270 nan 0.000 0.605 206 I N -4.989 115.563 120.570 -0.029 0.000 3.105 206 I HA 0.702 4.872 4.170 -0.000 0.000 0.309 206 I C -0.094 176.004 176.117 -0.033 0.000 1.438 206 I CA -1.049 60.226 61.300 -0.043 0.000 0.938 206 I CB 1.379 39.325 38.000 -0.091 0.000 1.328 206 I HN -0.020 nan 8.210 nan 0.000 0.522 207 G N 0.520 109.324 108.800 0.007 0.000 2.899 207 G HA2 0.361 4.321 3.960 -0.000 0.000 0.137 207 G HA3 0.361 4.321 3.960 -0.000 0.000 0.137 207 G C -1.758 173.340 174.900 0.330 0.000 1.198 207 G CA -0.359 44.820 45.100 0.131 0.000 1.126 207 G HN 0.628 nan 8.290 nan 0.000 0.589 208 E N 0.724 121.104 120.200 0.300 0.000 2.109 208 E HA 0.437 4.787 4.350 -0.000 0.000 0.278 208 E C 0.300 177.045 176.600 0.241 0.000 0.954 208 E CA -0.280 56.289 56.400 0.281 0.000 0.779 208 E CB 1.591 31.419 29.700 0.213 0.000 1.093 208 E HN 0.266 nan 8.360 nan 0.000 0.401 209 S N 3.301 119.132 115.700 0.219 0.000 2.603 209 S HA -0.045 4.425 4.470 -0.000 0.000 0.229 209 S C 0.047 174.802 174.600 0.259 0.000 0.972 209 S CA 0.595 58.915 58.200 0.200 0.000 0.935 209 S CB 0.157 63.442 63.200 0.141 0.000 0.769 209 S HN 0.448 nan 8.310 nan 0.000 0.536 210 Q N 1.065 121.017 119.800 0.255 0.000 2.771 210 Q HA 0.121 4.461 4.340 -0.000 0.000 0.247 210 Q C 0.134 176.387 176.000 0.423 0.000 0.986 210 Q CA -0.578 55.391 55.803 0.278 0.000 0.713 210 Q CB 0.360 29.064 28.738 -0.057 0.000 1.241 210 Q HN 0.595 nan 8.270 nan 0.000 0.488 211 W N 0.041 121.516 121.300 0.291 0.000 2.336 211 W HA -0.208 4.452 4.660 -0.000 0.000 0.277 211 W C 0.087 176.684 176.519 0.131 0.000 1.211 211 W CA -0.111 57.328 57.345 0.156 0.000 1.187 211 W CB -1.733 27.770 29.460 0.072 0.000 1.132 211 W HN 0.462 nan 8.180 nan 0.000 0.562 212 Y N 1.948 122.136 120.300 -0.187 0.000 3.142 212 Y HA -0.165 4.385 4.550 -0.000 0.000 0.347 212 Y C 1.626 177.464 175.900 -0.104 0.000 1.269 212 Y CA 1.059 59.013 58.100 -0.243 0.000 1.560 212 Y CB 0.281 38.583 38.460 -0.265 0.000 1.220 212 Y HN 0.031 nan 8.280 nan 0.000 0.626 213 E N 1.581 121.750 120.200 -0.051 0.000 2.411 213 E HA 0.082 4.432 4.350 -0.000 0.000 0.204 213 E C -0.704 175.896 176.600 0.000 0.000 1.059 213 E CA -0.005 56.383 56.400 -0.021 0.000 1.112 213 E CB 0.147 29.814 29.700 -0.056 0.000 1.168 213 E HN 0.531 nan 8.360 nan 0.000 0.445 214 T N 1.002 115.577 114.554 0.035 0.000 2.842 214 T HA 0.128 4.478 4.350 -0.000 0.000 0.308 214 T C -0.323 174.377 174.700 0.001 0.000 1.041 214 T CA -0.567 61.543 62.100 0.017 0.000 0.964 214 T CB 1.266 70.152 68.868 0.031 0.000 0.972 214 T HN 0.114 nan 8.240 nan 0.000 0.460 215 E N 2.308 122.501 120.200 -0.012 0.000 6.527 215 E HA -0.200 4.150 4.350 -0.000 0.000 0.364 215 E C -1.087 175.496 176.600 -0.029 0.000 1.014 215 E CA 0.253 56.637 56.400 -0.025 0.000 1.129 215 E CB -0.292 29.388 29.700 -0.034 0.000 0.884 215 E HN 0.863 nan 8.360 nan 0.000 0.312 216 I N 3.558 124.110 120.570 -0.030 0.000 2.548 216 I HA 0.502 4.672 4.170 -0.000 0.000 0.287 216 I C -1.170 174.924 176.117 -0.038 0.000 1.103 216 I CA -0.766 60.516 61.300 -0.029 0.000 1.049 216 I CB 1.542 39.536 38.000 -0.009 0.000 1.232 216 I HN 0.356 nan 8.210 nan 0.000 0.429 217 N N 6.272 124.938 118.700 -0.057 0.000 3.409 217 N HA 0.237 4.977 4.740 -0.000 0.000 0.169 217 N C -1.541 173.901 175.510 -0.113 0.000 1.443 217 N CA -0.464 52.536 53.050 -0.084 0.000 0.933 217 N CB 0.147 38.554 38.487 -0.132 0.000 1.669 217 N HN 0.909 nan 8.380 nan 0.000 0.640 218 H N -0.206 118.847 119.070 -0.027 0.000 5.810 218 H HA 0.426 4.982 4.556 -0.000 0.000 0.852 218 H C -1.079 174.225 175.328 -0.039 0.000 1.981 218 H CA -0.217 55.813 56.048 -0.031 0.000 1.496 218 H CB 0.515 30.256 29.762 -0.035 0.000 4.253 218 H HN 0.472 nan 8.280 nan 0.000 0.653 219 A N 1.361 124.223 122.820 0.071 0.000 2.806 219 A HA 0.975 5.295 4.320 -0.000 0.000 0.310 219 A C -1.531 176.040 177.584 -0.023 0.000 1.169 219 A CA -0.011 52.044 52.037 0.029 0.000 0.621 219 A CB 0.930 19.951 19.000 0.036 0.000 1.412 219 A HN 0.655 nan 8.150 nan 0.000 0.576 220 A N -2.479 120.327 122.820 -0.023 0.000 2.515 220 A HA 1.015 5.335 4.320 -0.000 0.000 0.299 220 A C 0.005 177.530 177.584 -0.099 0.000 1.179 220 A CA 0.217 52.187 52.037 -0.112 0.000 0.656 220 A CB 0.653 19.547 19.000 -0.177 0.000 1.306 220 A HN 2.702 nan 8.150 nan 0.000 0.459 221 G N -1.043 107.648 108.800 -0.181 0.000 2.435 221 G HA2 0.669 4.629 3.960 -0.000 0.000 0.296 221 G HA3 0.669 4.629 3.960 -0.000 0.000 0.296 221 G C -1.677 173.144 174.900 -0.133 0.000 1.240 221 G CA -0.374 44.656 45.100 -0.117 0.000 0.872 221 G HN 1.049 nan 8.290 nan 0.000 0.480 222 R N -1.914 118.557 120.500 -0.050 0.000 2.709 222 R HA 0.760 5.100 4.340 -0.000 0.000 0.270 222 R C -1.223 175.088 176.300 0.019 0.000 1.038 222 R CA -0.694 55.405 56.100 -0.002 0.000 0.872 222 R CB 1.686 32.020 30.300 0.057 0.000 1.259 222 R HN 0.919 nan 8.270 nan 0.000 0.473 223 V N 0.434 120.369 119.914 0.035 0.000 3.536 223 V HA 0.503 4.623 4.120 -0.000 0.000 0.314 223 V C -1.413 174.709 176.094 0.048 0.000 1.591 223 V CA -0.833 61.490 62.300 0.040 0.000 0.938 223 V CB 2.120 33.965 31.823 0.036 0.000 1.039 223 V HN 0.515 nan 8.190 nan 0.000 0.483 224 L N 1.890 123.143 121.223 0.049 0.000 2.334 224 L HA 0.594 4.934 4.340 -0.000 0.000 0.275 224 L C -0.493 176.410 176.870 0.056 0.000 1.036 224 L CA -0.471 54.399 54.840 0.050 0.000 0.807 224 L CB 1.682 43.768 42.059 0.046 0.000 1.231 224 L HN 0.659 nan 8.230 nan 0.000 0.438 225 K N 2.895 123.325 120.400 0.051 0.000 2.274 225 K HA 0.224 4.544 4.320 -0.000 0.000 0.262 225 K C 0.716 177.346 176.600 0.051 0.000 0.961 225 K CA -0.569 55.750 56.287 0.052 0.000 0.833 225 K CB 1.681 34.208 32.500 0.045 0.000 1.102 225 K HN 0.471 nan 8.250 nan 0.000 0.436 226 K N 1.345 121.782 120.400 0.061 0.000 2.347 226 K HA -0.263 4.057 4.320 -0.000 0.000 0.209 226 K C 0.376 177.005 176.600 0.049 0.000 1.020 226 K CA 2.591 58.915 56.287 0.062 0.000 0.924 226 K CB -0.310 32.228 32.500 0.063 0.000 0.863 226 K HN 0.801 nan 8.250 nan 0.000 0.495 227 T N 0.250 114.828 114.554 0.039 0.000 3.584 227 T HA 0.002 4.352 4.350 -0.000 0.000 0.252 227 T C -0.311 174.404 174.700 0.026 0.000 1.103 227 T CA 0.764 62.882 62.100 0.030 0.000 0.977 227 T CB -0.061 68.821 68.868 0.024 0.000 1.044 227 T HN 0.147 nan 8.240 nan 0.000 0.589 228 T N 1.425 115.998 114.554 0.031 0.000 3.583 228 T HA 0.214 4.564 4.350 -0.000 0.000 0.274 228 T C -2.494 172.225 174.700 0.032 0.000 0.698 228 T CA -1.021 61.095 62.100 0.026 0.000 1.262 228 T CB 1.313 70.194 68.868 0.021 0.000 1.000 228 T HN -0.084 nan 8.240 nan 0.000 0.528 229 P HA -0.138 nan 4.420 nan 0.000 0.277 229 P C -0.235 177.086 177.300 0.034 0.000 1.751 229 P CA 0.851 63.972 63.100 0.035 0.000 1.526 229 P CB 0.282 31.996 31.700 0.023 0.000 0.467 230 M N -1.273 118.342 119.600 0.026 0.000 1.980 230 M HA 0.276 4.756 4.480 -0.000 0.000 0.282 230 M C -0.337 175.973 176.300 0.018 0.000 0.878 230 M CA -0.222 55.092 55.300 0.024 0.000 0.900 230 M CB 1.526 34.139 32.600 0.021 0.000 1.577 230 M HN -0.074 nan 8.290 nan 0.000 0.396 231 K N 1.821 122.234 120.400 0.023 0.000 2.221 231 K HA 0.699 5.019 4.320 -0.000 0.000 0.243 231 K C -2.616 174.006 176.600 0.038 0.000 0.968 231 K CA -1.779 54.524 56.287 0.027 0.000 0.846 231 K CB 1.258 33.774 32.500 0.027 0.000 1.141 231 K HN 0.126 nan 8.250 nan 0.000 0.434 232 P HA -0.171 nan 4.420 nan 0.000 0.279 232 P C 0.349 177.700 177.300 0.084 0.000 1.452 232 P CA 0.167 63.305 63.100 0.062 0.000 1.090 232 P CB 0.364 32.104 31.700 0.067 0.000 1.134 233 C N -4.609 114.761 119.300 0.117 0.000 4.150 233 C HA 0.211 4.671 4.460 -0.000 0.000 0.330 233 C C -0.301 174.818 174.990 0.214 0.000 1.905 233 C CA -0.159 58.943 59.018 0.139 0.000 1.724 233 C CB -0.958 26.838 27.740 0.094 0.000 3.096 233 C HN 0.418 nan 8.230 nan 0.000 0.601 234 Y N 1.442 121.783 120.300 0.068 0.000 2.518 234 Y HA 0.533 5.083 4.550 -0.000 0.000 0.344 234 Y C 0.839 176.801 175.900 0.102 0.000 0.982 234 Y CA 0.429 58.571 58.100 0.069 0.000 1.234 234 Y CB 0.170 38.652 38.460 0.038 0.000 1.114 234 Y HN 0.441 nan 8.280 nan 0.000 0.515 235 G N 3.243 112.400 108.800 0.595 0.000 2.140 235 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.211 235 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.211 235 G C -0.311 174.898 174.900 0.515 0.000 1.013 235 G CA 0.159 45.544 45.100 0.477 0.000 0.705 235 G HN 0.685 nan 8.290 nan 0.000 0.508 236 S N -0.807 115.153 115.700 0.434 0.000 2.536 236 S HA 0.885 5.355 4.470 -0.000 0.000 0.298 236 S C -0.786 173.997 174.600 0.304 0.000 1.083 236 S CA -0.220 58.147 58.200 0.277 0.000 0.995 236 S CB 2.322 65.628 63.200 0.178 0.000 1.058 236 S HN 1.534 nan 8.310 nan 0.000 0.488 237 Y N 0.399 120.664 120.300 -0.058 0.000 2.687 237 Y HA 0.642 5.192 4.550 -0.000 0.000 0.338 237 Y C -1.806 174.025 175.900 -0.116 0.000 1.189 237 Y CA -1.090 56.957 58.100 -0.088 0.000 1.097 237 Y CB 0.221 38.582 38.460 -0.165 0.000 1.342 237 Y HN 0.754 nan 8.280 nan 0.000 0.461 238 A N 4.386 127.047 122.820 -0.265 0.000 2.337 238 A HA 0.587 4.907 4.320 -0.000 0.000 0.329 238 A C -0.831 176.454 177.584 -0.498 0.000 1.146 238 A CA -1.127 50.680 52.037 -0.384 0.000 0.800 238 A CB 1.022 19.958 19.000 -0.107 0.000 1.220 238 A HN 0.757 nan 8.150 nan 0.000 0.472 239 K N 1.876 122.027 120.400 -0.416 0.000 2.524 239 K HA 0.112 4.432 4.320 -0.000 0.000 0.279 239 K C -2.297 174.266 176.600 -0.062 0.000 0.993 239 K CA -0.596 55.542 56.287 -0.249 0.000 1.030 239 K CB 0.272 32.675 32.500 -0.162 0.000 0.891 239 K HN 0.478 nan 8.250 nan 0.000 0.488 240 P HA 0.182 nan 4.420 nan 0.000 0.287 240 P C -0.663 176.655 177.300 0.031 0.000 1.270 240 P CA -0.443 62.695 63.100 0.063 0.000 0.844 240 P CB 1.713 33.480 31.700 0.112 0.000 1.068 241 T N -0.454 114.118 114.554 0.030 0.000 1.744 241 T HA 0.235 4.585 4.350 -0.000 0.000 0.186 241 T C 0.385 175.096 174.700 0.017 0.000 0.723 241 T CA -0.640 61.472 62.100 0.019 0.000 1.264 241 T CB -1.336 67.544 68.868 0.019 0.000 3.334 241 T HN 0.490 nan 8.240 nan 0.000 0.421 242 N N 1.473 120.184 118.700 0.019 0.000 2.071 242 N HA -0.161 4.579 4.740 -0.000 0.000 0.254 242 N C 0.667 176.176 175.510 -0.003 0.000 1.227 242 N CA 0.256 53.315 53.050 0.014 0.000 0.851 242 N CB 0.608 39.115 38.487 0.033 0.000 1.062 242 N HN 0.638 nan 8.380 nan 0.000 0.471 243 E N -0.257 119.936 120.200 -0.011 0.000 2.208 243 E HA -0.131 4.219 4.350 -0.000 0.000 0.193 243 E C -0.213 176.346 176.600 -0.068 0.000 0.988 243 E CA 0.561 56.943 56.400 -0.030 0.000 0.828 243 E CB 0.011 29.698 29.700 -0.023 0.000 0.763 243 E HN 0.515 nan 8.360 nan 0.000 0.478 244 N N 0.870 119.522 118.700 -0.081 0.000 3.271 244 N HA 0.150 4.890 4.740 -0.000 0.000 0.303 244 N C -0.365 174.984 175.510 -0.267 0.000 1.415 244 N CA 0.282 53.201 53.050 -0.218 0.000 1.159 244 N CB 1.009 39.371 38.487 -0.209 0.000 1.432 244 N HN 0.085 nan 8.380 nan 0.000 0.521 245 G N 0.210 108.910 108.800 -0.167 0.000 3.350 245 G HA2 0.098 4.058 3.960 -0.000 0.000 0.646 245 G HA3 0.098 4.058 3.960 -0.000 0.000 0.646 245 G C 0.089 175.002 174.900 0.022 0.000 0.929 245 G CA -0.265 44.780 45.100 -0.092 0.000 1.073 245 G HN 0.773 nan 8.290 nan 0.000 0.543 246 G N 1.095 109.923 108.800 0.046 0.000 2.339 246 G HA2 0.684 4.644 3.960 -0.000 0.000 0.302 246 G HA3 0.684 4.644 3.960 -0.000 0.000 0.302 246 G C -1.026 173.911 174.900 0.062 0.000 1.425 246 G CA -0.014 45.130 45.100 0.073 0.000 0.899 246 G HN 1.294 nan 8.290 nan 0.000 0.619 247 Q N -0.252 119.584 119.800 0.059 0.000 3.402 247 Q HA 0.528 4.868 4.340 -0.000 0.000 0.196 247 Q C 0.091 176.109 176.000 0.030 0.000 0.825 247 Q CA -0.061 55.770 55.803 0.046 0.000 0.814 247 Q CB 1.387 30.164 28.738 0.065 0.000 1.454 247 Q HN 1.281 nan 8.270 nan 0.000 0.460 248 G N 0.778 109.590 108.800 0.019 0.000 3.003 248 G HA2 0.901 4.861 3.960 -0.000 0.000 0.243 248 G HA3 0.901 4.861 3.960 -0.000 0.000 0.243 248 G C -1.471 173.431 174.900 0.003 0.000 1.176 248 G CA -0.362 44.745 45.100 0.012 0.000 0.812 248 G HN 0.308 nan 8.290 nan 0.000 0.584 249 I N -1.103 119.469 120.570 0.003 0.000 3.149 249 I HA 0.550 4.720 4.170 -0.000 0.000 0.310 249 I C -1.068 175.050 176.117 0.001 0.000 1.343 249 I CA -0.628 60.672 61.300 0.000 0.000 0.955 249 I CB 2.305 40.303 38.000 -0.002 0.000 1.309 249 I HN 0.561 nan 8.210 nan 0.000 0.478 250 L N 2.401 123.624 121.223 0.000 0.000 3.409 250 L HA 0.567 4.907 4.340 -0.000 0.000 0.223 250 L C 0.023 176.893 176.870 0.000 0.000 1.762 250 L CA -0.268 54.572 54.840 -0.000 0.000 1.764 250 L CB -0.806 41.252 42.059 -0.001 0.000 1.761 250 L HN 0.369 nan 8.230 nan 0.000 0.545 251 V N -3.550 116.364 119.914 -0.000 0.000 5.082 251 V HA 0.672 4.792 4.120 -0.000 0.000 0.154 251 V C 0.339 176.433 176.094 -0.000 0.000 0.918 251 V CA 0.082 62.382 62.300 0.000 0.000 1.435 251 V CB -0.185 31.638 31.823 0.001 0.000 2.319 251 V HN 0.765 nan 8.190 nan 0.000 0.393 252 K N -1.576 118.824 120.400 -0.000 0.000 2.972 252 K HA -0.242 4.078 4.320 -0.000 0.000 0.853 252 K C 1.010 177.610 176.600 -0.000 0.000 2.102 252 K CA 0.892 57.179 56.287 -0.000 0.000 1.382 252 K CB -1.446 31.054 32.500 -0.000 0.000 2.605 252 K HN 0.662 nan 8.250 nan 0.000 0.218 253 Q N -0.351 119.449 119.800 -0.000 0.000 2.592 253 Q HA -0.376 3.964 4.340 -0.000 0.000 0.233 253 Q C -0.256 175.744 176.000 -0.000 0.000 1.414 253 Q CA 2.384 58.187 55.803 -0.000 0.000 1.014 253 Q CB -0.429 28.308 28.738 -0.001 0.000 0.934 253 Q HN 0.390 nan 8.270 nan 0.000 0.560 254 Q N 0.641 120.441 119.800 0.000 0.000 2.324 254 Q HA 0.050 4.390 4.340 -0.000 0.000 0.257 254 Q C 0.059 176.059 176.000 0.001 0.000 1.080 254 Q CA 0.146 55.949 55.803 0.001 0.000 0.907 254 Q CB 0.924 29.663 28.738 0.001 0.000 1.274 254 Q HN 0.331 nan 8.270 nan 0.000 0.434 255 N N 1.018 119.719 118.700 0.001 0.000 3.967 255 N HA -0.269 4.471 4.740 -0.000 0.000 0.227 255 N C 0.749 176.259 175.510 0.001 0.000 0.226 255 N CA 1.991 55.042 53.050 0.001 0.000 3.007 255 N CB -1.461 37.027 38.487 0.001 0.000 1.344 255 N HN 0.660 nan 8.380 nan 0.000 0.315 256 G N 0.233 109.033 108.800 0.001 0.000 2.751 256 G HA2 0.428 4.388 3.960 -0.000 0.000 0.142 256 G HA3 0.428 4.388 3.960 -0.000 0.000 0.142 256 G C 0.015 174.915 174.900 0.001 0.000 1.783 256 G CA 1.566 46.666 45.100 0.001 0.000 1.018 256 G HN 0.613 nan 8.290 nan 0.000 0.474 257 K N -2.480 117.920 120.400 0.000 0.000 2.842 257 K HA 0.298 4.618 4.320 -0.000 0.000 0.293 257 K C -0.072 176.528 176.600 -0.000 0.000 1.068 257 K CA -0.671 55.616 56.287 0.000 0.000 0.827 257 K CB 0.363 32.863 32.500 0.000 0.000 1.524 257 K HN 0.432 nan 8.250 nan 0.000 0.368 258 L N -0.092 121.131 121.223 -0.000 0.000 4.970 258 L HA -0.138 4.202 4.340 -0.000 0.000 0.147 258 L C -0.061 176.807 176.870 -0.003 0.000 1.608 258 L CA 0.804 55.644 54.840 -0.001 0.000 1.932 258 L CB -1.353 40.706 42.059 -0.000 0.000 2.109 258 L HN 0.794 nan 8.230 nan 0.000 0.812 259 E N -2.272 117.925 120.200 -0.004 0.000 7.835 259 E HA -0.118 4.232 4.350 -0.000 0.000 0.463 259 E C -0.843 175.749 176.600 -0.012 0.000 0.612 259 E CA 0.685 57.079 56.400 -0.010 0.000 1.100 259 E CB -0.869 28.825 29.700 -0.010 0.000 0.976 259 E HN 0.878 nan 8.360 nan 0.000 0.262 260 S N 0.712 116.398 115.700 -0.022 0.000 2.578 260 S HA 0.534 5.004 4.470 -0.000 0.000 0.301 260 S C -0.952 173.625 174.600 -0.039 0.000 1.091 260 S CA -0.635 57.549 58.200 -0.027 0.000 1.032 260 S CB 0.906 64.086 63.200 -0.033 0.000 1.064 260 S HN 0.306 nan 8.310 nan 0.000 0.508 261 Q N 1.867 121.648 119.800 -0.031 0.000 2.348 261 Q HA 0.725 5.065 4.340 -0.000 0.000 0.265 261 Q C -1.196 174.784 176.000 -0.032 0.000 0.998 261 Q CA -0.888 54.898 55.803 -0.029 0.000 0.831 261 Q CB 1.528 30.262 28.738 -0.007 0.000 1.251 261 Q HN 0.430 nan 8.270 nan 0.000 0.456 262 V N -1.350 118.530 119.914 -0.057 0.000 2.971 262 V HA 0.579 4.699 4.120 -0.000 0.000 0.281 262 V C -1.199 174.898 176.094 0.005 0.000 1.470 262 V CA -0.875 61.408 62.300 -0.028 0.000 0.966 262 V CB 1.795 33.568 31.823 -0.084 0.000 1.156 262 V HN 0.849 nan 8.190 nan 0.000 0.441 263 E N 2.907 123.209 120.200 0.171 0.000 2.390 263 E HA 0.661 5.011 4.350 -0.000 0.000 0.277 263 E C -0.807 175.910 176.600 0.196 0.000 0.939 263 E CA -1.060 55.473 56.400 0.222 0.000 0.769 263 E CB 2.630 32.388 29.700 0.097 0.000 1.251 263 E HN 0.828 nan 8.360 nan 0.000 0.450 264 M N 0.702 120.372 119.600 0.117 0.000 1.715 264 M HA 0.165 4.645 4.480 -0.000 0.000 0.170 264 M C 0.542 176.785 176.300 -0.096 0.000 1.261 264 M CA 0.665 55.923 55.300 -0.069 0.000 0.770 264 M CB 0.062 32.574 32.600 -0.147 0.000 1.112 264 M HN 0.470 nan 8.290 nan 0.000 0.385 265 Q N -1.403 118.277 119.800 -0.200 0.000 2.975 265 Q HA 0.655 4.995 4.340 -0.000 0.000 0.352 265 Q C -1.997 173.875 176.000 -0.212 0.000 0.817 265 Q CA -0.687 55.040 55.803 -0.125 0.000 0.830 265 Q CB 1.947 30.616 28.738 -0.116 0.000 1.346 265 Q HN 0.558 nan 8.270 nan 0.000 0.505 266 F N 1.044 121.064 119.950 0.116 0.000 2.607 266 F HA 0.574 5.101 4.527 -0.000 0.000 0.322 266 F C -1.474 174.635 175.800 0.515 0.000 1.176 266 F CA -0.438 57.679 58.000 0.194 0.000 0.977 266 F CB 1.585 40.665 39.000 0.134 0.000 1.242 266 F HN 0.301 nan 8.300 nan 0.000 0.465 267 F N 2.495 122.555 119.950 0.183 0.000 2.671 267 F HA 0.556 5.083 4.527 -0.000 0.000 0.332 267 F C -0.335 175.504 175.800 0.065 0.000 1.189 267 F CA -1.172 56.880 58.000 0.088 0.000 0.988 267 F CB 1.994 41.020 39.000 0.043 0.000 1.258 267 F HN 0.222 nan 8.300 nan 0.000 0.471 268 S N 1.374 117.153 115.700 0.132 0.000 2.584 268 S HA 0.259 4.729 4.470 -0.000 0.000 0.280 268 S C 0.682 175.281 174.600 -0.003 0.000 1.162 268 S CA 0.144 58.385 58.200 0.068 0.000 0.951 268 S CB 1.363 64.614 63.200 0.084 0.000 1.108 268 S HN 0.869 nan 8.310 nan 0.000 0.464 269 T N 2.755 117.301 114.554 -0.014 0.000 2.594 269 T HA -0.100 4.250 4.350 -0.000 0.000 0.266 269 T C 0.861 175.539 174.700 -0.035 0.000 1.070 269 T CA 2.848 64.927 62.100 -0.035 0.000 1.166 269 T CB -0.520 68.333 68.868 -0.026 0.000 0.862 269 T HN 0.997 nan 8.240 nan 0.000 0.436 280 L N -0.004 121.213 121.223 -0.009 0.000 3.905 280 L HA -0.365 3.975 4.340 -0.000 0.000 0.053 280 L C 0.393 177.259 176.870 -0.007 0.000 4.067 280 L CA 2.638 57.474 54.840 -0.008 0.000 0.968 280 L CB -1.741 40.317 42.059 -0.001 0.000 3.354 280 L HN 0.732 nan 8.230 nan 0.000 0.831 281 T N -1.299 113.265 114.554 0.016 0.000 2.807 281 T HA 0.712 5.062 4.350 -0.000 0.000 0.279 281 T C -2.457 172.301 174.700 0.096 0.000 0.993 281 T CA -1.638 60.486 62.100 0.040 0.000 0.970 281 T CB 1.717 70.624 68.868 0.065 0.000 0.950 281 T HN 0.299 nan 8.240 nan 0.000 0.441 282 P HA 0.186 nan 4.420 nan 0.000 0.269 282 P C -0.746 176.732 177.300 0.295 0.000 1.211 282 P CA -0.240 63.020 63.100 0.268 0.000 0.781 282 P CB 0.551 32.504 31.700 0.422 0.000 0.877 283 K N 1.092 121.626 120.400 0.223 0.000 2.507 283 K HA 0.560 4.880 4.320 -0.000 0.000 0.252 283 K C -0.865 175.780 176.600 0.075 0.000 0.943 283 K CA -0.562 55.801 56.287 0.127 0.000 0.808 283 K CB 1.002 33.551 32.500 0.082 0.000 1.142 283 K HN 0.428 nan 8.250 nan 0.000 0.426 284 V N -0.529 119.369 119.914 -0.026 0.000 3.211 284 V HA 0.505 4.625 4.120 -0.000 0.000 0.274 284 V C -1.383 174.592 176.094 -0.198 0.000 1.934 284 V CA -1.114 61.112 62.300 -0.123 0.000 0.958 284 V CB 0.829 32.527 31.823 -0.208 0.000 1.255 284 V HN 0.435 nan 8.190 nan 0.000 0.465 285 V N -0.214 119.552 119.914 -0.246 0.000 3.312 285 V HA 0.934 5.054 4.120 -0.000 0.000 0.281 285 V C -1.171 174.719 176.094 -0.340 0.000 1.716 285 V CA 0.086 62.215 62.300 -0.284 0.000 1.040 285 V CB 1.830 33.506 31.823 -0.244 0.000 1.214 285 V HN 1.883 nan 8.190 nan 0.000 0.479 286 L N 0.659 121.590 121.223 -0.487 0.000 3.366 286 L HA 0.436 4.776 4.340 -0.000 0.000 0.208 286 L C -2.503 174.091 176.870 -0.460 0.000 1.006 286 L CA -0.390 54.152 54.840 -0.498 0.000 1.077 286 L CB 1.245 43.146 42.059 -0.263 0.000 1.419 286 L HN 0.722 nan 8.230 nan 0.000 0.404 287 Y N 0.572 120.855 120.300 -0.029 0.000 2.480 287 Y HA 0.756 5.306 4.550 -0.000 0.000 0.329 287 Y C -0.322 175.577 175.900 -0.002 0.000 1.127 287 Y CA -0.535 57.556 58.100 -0.015 0.000 1.037 287 Y CB 1.989 40.442 38.460 -0.011 0.000 1.320 287 Y HN 0.559 nan 8.280 nan 0.000 0.446 288 S N 2.422 118.215 115.700 0.155 0.000 2.550 288 S HA 0.881 5.351 4.470 -0.000 0.000 0.270 288 S C -1.414 173.228 174.600 0.070 0.000 1.145 288 S CA -0.559 57.698 58.200 0.096 0.000 0.852 288 S CB 2.305 65.548 63.200 0.071 0.000 1.119 288 S HN 0.810 nan 8.310 nan 0.000 0.465 289 E N 1.880 122.113 120.200 0.055 0.000 2.390 289 E HA 0.535 4.885 4.350 -0.000 0.000 0.242 289 E C -1.403 175.216 176.600 0.032 0.000 0.907 289 E CA -0.779 55.645 56.400 0.040 0.000 0.884 289 E CB 0.398 30.116 29.700 0.031 0.000 1.788 289 E HN 0.530 nan 8.360 nan 0.000 0.427 290 D N -0.510 119.904 120.400 0.022 0.000 2.506 290 D HA 0.679 5.319 4.640 -0.000 0.000 0.254 290 D C -0.925 175.377 176.300 0.005 0.000 1.089 290 D CA -0.518 53.491 54.000 0.015 0.000 1.050 290 D CB 2.117 42.925 40.800 0.013 0.000 1.221 290 D HN 0.421 nan 8.370 nan 0.000 0.589 291 V N -1.345 118.566 119.914 -0.006 0.000 3.088 291 V HA 0.207 4.327 4.120 -0.000 0.000 0.272 291 V C -0.650 175.423 176.094 -0.035 0.000 1.611 291 V CA -1.119 61.168 62.300 -0.022 0.000 0.990 291 V CB 1.611 33.416 31.823 -0.032 0.000 1.234 291 V HN 0.457 nan 8.190 nan 0.000 0.453 292 D N 2.625 122.999 120.400 -0.044 0.000 2.662 292 D HA 0.181 4.821 4.640 -0.000 0.000 0.228 292 D C 0.598 176.848 176.300 -0.083 0.000 1.093 292 D CA 0.224 54.194 54.000 -0.050 0.000 1.075 292 D CB 0.143 40.916 40.800 -0.045 0.000 1.122 292 D HN 0.629 nan 8.370 nan 0.000 0.475 293 I N 1.515 122.037 120.570 -0.080 0.000 3.055 293 I HA -0.182 3.988 4.170 -0.000 0.000 0.308 293 I C 0.479 176.507 176.117 -0.148 0.000 1.224 293 I CA 1.070 62.302 61.300 -0.113 0.000 1.443 293 I CB 0.524 38.482 38.000 -0.070 0.000 1.318 293 I HN 0.202 nan 8.210 nan 0.000 0.577 294 E N 5.539 125.600 120.200 -0.231 0.000 2.489 294 E HA 0.212 4.562 4.350 -0.000 0.000 0.232 294 E C -0.511 175.971 176.600 -0.196 0.000 0.990 294 E CA -0.142 56.101 56.400 -0.261 0.000 0.768 294 E CB 0.908 30.320 29.700 -0.480 0.000 1.270 294 E HN 0.660 nan 8.360 nan 0.000 0.423 295 T N -1.821 112.681 114.554 -0.087 0.000 3.948 295 T HA 0.187 4.537 4.350 -0.000 0.000 0.303 295 T C -2.185 172.525 174.700 0.016 0.000 0.942 295 T CA -0.655 61.435 62.100 -0.017 0.000 1.028 295 T CB 0.371 69.243 68.868 0.007 0.000 1.154 295 T HN 0.141 nan 8.240 nan 0.000 0.471 296 P HA 0.229 nan 4.420 nan 0.000 0.262 296 P C 0.110 177.440 177.300 0.050 0.000 1.304 296 P CA 0.238 63.358 63.100 0.033 0.000 0.859 296 P CB -0.253 31.463 31.700 0.026 0.000 1.310 297 D N -0.256 120.183 120.400 0.065 0.000 2.460 297 D HA 0.091 4.731 4.640 -0.000 0.000 0.229 297 D C -0.622 175.733 176.300 0.092 0.000 1.170 297 D CA -0.239 53.816 54.000 0.092 0.000 0.827 297 D CB -0.397 40.515 40.800 0.187 0.000 0.973 297 D HN -0.108 nan 8.370 nan 0.000 0.496 298 T N -1.608 112.992 114.554 0.078 0.000 3.578 298 T HA 0.210 4.560 4.350 -0.000 0.000 0.343 298 T C -0.949 173.829 174.700 0.131 0.000 1.126 298 T CA -1.016 61.141 62.100 0.095 0.000 1.092 298 T CB 0.256 69.174 68.868 0.082 0.000 1.160 298 T HN 0.400 nan 8.240 nan 0.000 0.469 299 H N 3.056 122.096 119.070 -0.049 0.000 2.724 299 H HA 0.596 5.152 4.556 -0.000 0.000 0.278 299 H C 0.465 175.769 175.328 -0.040 0.000 1.159 299 H CA -1.462 54.558 56.048 -0.047 0.000 1.254 299 H CB 0.170 29.887 29.762 -0.075 0.000 1.412 299 H HN 0.378 nan 8.280 nan 0.000 0.488 300 I N 2.153 122.707 120.570 -0.028 0.000 3.411 300 I HA -0.261 3.909 4.170 -0.000 0.000 0.291 300 I C 0.952 176.987 176.117 -0.137 0.000 1.273 300 I CA 0.568 61.826 61.300 -0.070 0.000 1.366 300 I CB 0.210 38.196 38.000 -0.022 0.000 1.327 300 I HN 0.801 nan 8.210 nan 0.000 0.596 301 S N 1.507 117.164 115.700 -0.070 0.000 2.694 301 S HA 0.121 4.591 4.470 -0.000 0.000 0.225 301 S C -0.107 174.559 174.600 0.109 0.000 1.012 301 S CA 0.198 58.381 58.200 -0.029 0.000 0.896 301 S CB 0.023 63.208 63.200 -0.025 0.000 0.838 301 S HN 0.592 nan 8.310 nan 0.000 0.604 302 Y N 2.079 122.363 120.300 -0.026 0.000 2.562 302 Y HA 0.738 5.288 4.550 -0.000 0.000 0.343 302 Y C -1.416 174.482 175.900 -0.002 0.000 1.025 302 Y CA -1.599 56.501 58.100 -0.001 0.000 1.082 302 Y CB 1.464 39.931 38.460 0.011 0.000 1.264 302 Y HN 0.339 nan 8.280 nan 0.000 0.478 303 M N 3.737 122.810 119.600 -0.879 0.000 2.412 303 M HA 0.250 4.730 4.480 -0.000 0.000 0.246 303 M C -2.971 172.945 176.300 -0.640 0.000 0.900 303 M CA -0.947 54.002 55.300 -0.586 0.000 0.825 303 M CB 1.134 33.588 32.600 -0.242 0.000 2.004 303 M HN 0.235 nan 8.290 nan 0.000 0.557 304 P HA 0.218 nan 4.420 nan 0.000 0.252 304 P C -0.539 176.679 177.300 -0.136 0.000 1.211 304 P CA 0.526 63.475 63.100 -0.251 0.000 0.824 304 P CB 0.669 32.284 31.700 -0.142 0.000 1.077 305 T N 0.327 114.807 114.554 -0.122 0.000 2.881 305 T HA 0.679 5.029 4.350 -0.000 0.000 0.290 305 T C -0.452 174.210 174.700 -0.064 0.000 1.000 305 T CA -0.381 61.674 62.100 -0.075 0.000 0.978 305 T CB 1.724 70.557 68.868 -0.058 0.000 0.997 305 T HN -0.222 nan 8.240 nan 0.000 0.443 306 I N 3.101 123.645 120.570 -0.044 0.000 2.468 306 I HA 0.564 4.734 4.170 -0.000 0.000 0.284 306 I C -0.246 175.863 176.117 -0.014 0.000 1.038 306 I CA -0.536 60.746 61.300 -0.030 0.000 1.083 306 I CB 1.563 39.547 38.000 -0.028 0.000 1.223 306 I HN 0.631 nan 8.210 nan 0.000 0.443 307 K N 3.805 124.201 120.400 -0.007 0.000 2.522 307 K HA 0.506 4.826 4.320 -0.000 0.000 0.275 307 K C -1.140 175.465 176.600 0.009 0.000 1.006 307 K CA -0.794 55.495 56.287 0.003 0.000 0.890 307 K CB 1.975 34.479 32.500 0.007 0.000 1.475 307 K HN 0.267 nan 8.250 nan 0.000 0.441 308 E N 0.352 120.561 120.200 0.015 0.000 1.856 308 E HA 0.399 4.749 4.350 -0.000 0.000 0.263 308 E C -0.345 176.271 176.600 0.027 0.000 1.137 308 E CA 0.769 57.180 56.400 0.018 0.000 1.007 308 E CB 0.300 30.011 29.700 0.017 0.000 1.117 308 E HN 0.816 nan 8.360 nan 0.000 0.438 309 G N 2.307 111.125 108.800 0.029 0.000 2.351 309 G HA2 0.048 4.008 3.960 -0.000 0.000 0.279 309 G HA3 0.048 4.008 3.960 -0.000 0.000 0.279 309 G C -1.285 173.641 174.900 0.043 0.000 1.297 309 G CA -0.572 44.554 45.100 0.042 0.000 0.886 309 G HN 0.390 nan 8.290 nan 0.000 0.493 310 N N -1.386 117.353 118.700 0.064 0.000 3.343 310 N HA 0.870 5.610 4.740 -0.000 0.000 0.330 310 N C -0.285 175.272 175.510 0.080 0.000 1.560 310 N CA 0.055 53.141 53.050 0.060 0.000 0.752 310 N CB 1.538 40.066 38.487 0.069 0.000 1.863 310 N HN 0.966 nan 8.380 nan 0.000 0.636 311 S N -1.544 114.186 115.700 0.050 0.000 2.764 311 S HA 0.253 4.723 4.470 -0.000 0.000 0.289 311 S C 0.290 174.792 174.600 -0.163 0.000 1.235 311 S CA -0.500 57.686 58.200 -0.024 0.000 1.081 311 S CB 1.208 64.313 63.200 -0.159 0.000 1.319 311 S HN 0.698 nan 8.310 nan 0.000 0.492 312 R N 1.023 121.201 120.500 -0.537 0.000 2.206 312 R HA 0.350 4.690 4.340 -0.000 0.000 0.198 312 R C 1.092 177.188 176.300 -0.339 0.000 0.986 312 R CA 1.076 56.860 56.100 -0.527 0.000 1.029 312 R CB 0.090 29.729 30.300 -1.101 0.000 0.966 312 R HN 0.581 nan 8.270 nan 0.000 0.487 313 E N -0.410 119.595 120.200 -0.325 0.000 2.474 313 E HA 0.088 4.438 4.350 -0.000 0.000 0.195 313 E C -0.412 176.114 176.600 -0.124 0.000 1.039 313 E CA -0.069 56.215 56.400 -0.194 0.000 0.881 313 E CB 0.507 30.097 29.700 -0.183 0.000 0.970 313 E HN 0.158 nan 8.360 nan 0.000 0.486 314 L N 2.007 123.157 121.223 -0.121 0.000 2.701 314 L HA 0.353 4.693 4.340 -0.000 0.000 0.237 314 L C -0.877 175.965 176.870 -0.047 0.000 1.204 314 L CA 0.259 55.058 54.840 -0.068 0.000 1.109 314 L CB 0.106 42.133 42.059 -0.053 0.000 1.409 314 L HN 0.032 nan 8.230 nan 0.000 0.428 315 M N 1.243 120.817 119.600 -0.043 0.000 2.213 315 M HA 0.308 4.788 4.480 -0.000 0.000 0.243 315 M C 0.282 176.572 176.300 -0.016 0.000 0.979 315 M CA -0.183 55.099 55.300 -0.029 0.000 1.037 315 M CB 1.728 34.302 32.600 -0.044 0.000 2.200 315 M HN 0.344 nan 8.290 nan 0.000 0.465 316 G N 1.883 110.683 108.800 0.001 0.000 2.407 316 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.210 316 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.210 316 G C -0.399 174.524 174.900 0.038 0.000 1.015 316 G CA -0.691 44.419 45.100 0.016 0.000 0.807 316 G HN 0.631 nan 8.290 nan 0.000 0.539 317 Q N 0.531 120.350 119.800 0.032 0.000 2.327 317 Q HA 0.606 4.946 4.340 -0.000 0.000 0.254 317 Q C 0.035 176.059 176.000 0.039 0.000 0.952 317 Q CA -0.200 55.627 55.803 0.040 0.000 0.884 317 Q CB 1.052 29.798 28.738 0.014 0.000 1.224 317 Q HN 0.351 nan 8.270 nan 0.000 0.422 318 Q N 0.949 120.775 119.800 0.044 0.000 2.414 318 Q HA 0.283 4.623 4.340 -0.000 0.000 0.206 318 Q C -0.127 175.876 176.000 0.006 0.000 1.058 318 Q CA -0.093 55.725 55.803 0.024 0.000 1.025 318 Q CB 0.911 29.657 28.738 0.013 0.000 1.196 318 Q HN 0.758 nan 8.270 nan 0.000 0.586 319 S N -0.142 115.550 115.700 -0.013 0.000 2.606 319 S HA 0.225 4.695 4.470 -0.000 0.000 0.156 319 S C -0.827 173.716 174.600 -0.095 0.000 1.308 319 S CA -0.711 57.477 58.200 -0.020 0.000 1.228 319 S CB -0.163 63.061 63.200 0.039 0.000 1.568 319 S HN 0.639 nan 8.310 nan 0.000 0.397 320 M N 3.615 123.131 119.600 -0.140 0.000 2.292 320 M HA 0.392 4.872 4.480 -0.000 0.000 0.342 320 M C -2.313 173.973 176.300 -0.023 0.000 1.538 320 M CA -1.109 54.077 55.300 -0.191 0.000 1.163 320 M CB 0.295 32.745 32.600 -0.249 0.000 1.823 320 M HN 0.154 nan 8.290 nan 0.000 0.462 321 P HA -0.116 nan 4.420 nan 0.000 0.269 321 P C -0.595 176.778 177.300 0.121 0.000 1.200 321 P CA 0.274 63.373 63.100 -0.002 0.000 0.779 321 P CB 0.297 31.922 31.700 -0.126 0.000 0.841 322 N N 1.306 119.949 118.700 -0.095 0.000 2.326 322 N HA 0.053 4.793 4.740 -0.000 0.000 0.239 322 N C 0.349 175.585 175.510 -0.457 0.000 1.301 322 N CA -0.034 52.687 53.050 -0.549 0.000 0.909 322 N CB 0.261 38.546 38.487 -0.337 0.000 1.156 322 N HN 0.244 nan 8.380 nan 0.000 0.462 323 R N 1.146 121.318 120.500 -0.548 0.000 2.438 323 R HA 0.205 4.545 4.340 -0.000 0.000 0.287 323 R C -1.889 174.329 176.300 -0.136 0.000 1.077 323 R CA -1.007 54.954 56.100 -0.232 0.000 1.034 323 R CB 0.375 30.583 30.300 -0.153 0.000 0.993 323 R HN 0.395 nan 8.270 nan 0.000 0.459 324 P HA -0.008 nan 4.420 nan 0.000 0.269 324 P C -0.993 176.089 177.300 -0.364 0.000 1.263 324 P CA -0.167 62.738 63.100 -0.326 0.000 0.813 324 P CB 0.497 31.952 31.700 -0.409 0.000 0.868 325 N N 3.003 121.529 118.700 -0.291 0.000 2.452 325 N HA 0.030 4.770 4.740 -0.000 0.000 0.266 325 N C -0.868 174.443 175.510 -0.331 0.000 1.209 325 N CA 0.127 53.096 53.050 -0.135 0.000 0.929 325 N CB -0.244 38.264 38.487 0.034 0.000 1.063 325 N HN 0.285 nan 8.380 nan 0.000 0.472 326 Y N 3.965 124.290 120.300 0.042 0.000 2.880 326 Y HA 0.302 4.852 4.550 -0.000 0.000 0.329 326 Y C 0.748 176.680 175.900 0.053 0.000 1.156 326 Y CA -0.398 57.741 58.100 0.064 0.000 1.348 326 Y CB 0.207 38.697 38.460 0.049 0.000 1.280 326 Y HN 0.520 nan 8.280 nan 0.000 0.516 327 I N 1.149 121.804 120.570 0.142 0.000 3.858 327 I HA 0.200 4.370 4.170 -0.000 0.000 0.325 327 I C 1.338 177.441 176.117 -0.025 0.000 1.403 327 I CA -0.390 60.911 61.300 0.002 0.000 1.169 327 I CB -0.686 37.248 38.000 -0.109 0.000 1.077 327 I HN 0.494 nan 8.210 nan 0.000 0.403 328 A N 1.254 124.144 122.820 0.117 0.000 2.599 328 A HA -0.030 4.290 4.320 -0.000 0.000 0.240 328 A C -0.205 177.434 177.584 0.092 0.000 1.109 328 A CA 0.472 52.598 52.037 0.147 0.000 0.798 328 A CB 0.041 19.180 19.000 0.233 0.000 1.050 328 A HN 0.266 nan 8.150 nan 0.000 0.518 329 F N 0.595 120.588 119.950 0.071 0.000 2.371 329 F HA 0.379 4.906 4.527 0.000 0.000 0.329 329 F C 1.219 177.062 175.800 0.072 0.000 1.107 329 F CA -0.865 57.163 58.000 0.047 0.000 1.137 329 F CB 0.830 39.860 39.000 0.051 0.000 1.214 329 F HN 0.506 nan 8.300 nan 0.000 0.536 330 R N 2.193 123.145 120.500 0.754 0.000 2.643 330 R HA 0.049 4.389 4.340 -0.000 0.000 0.270 330 R C -0.412 176.003 176.300 0.192 0.000 1.061 330 R CA -0.523 55.777 56.100 0.332 0.000 1.107 330 R CB 0.024 30.495 30.300 0.285 0.000 0.999 330 R HN 0.579 nan 8.270 nan 0.000 0.460 331 D N 2.040 122.487 120.400 0.079 0.000 2.560 331 D HA -0.143 4.497 4.640 -0.000 0.000 0.226 331 D C 0.498 176.778 176.300 -0.034 0.000 1.222 331 D CA 0.694 54.707 54.000 0.023 0.000 0.880 331 D CB 0.263 41.035 40.800 -0.046 0.000 1.234 331 D HN 0.378 nan 8.370 nan 0.000 0.515 332 N N 2.131 120.792 118.700 -0.065 0.000 2.628 332 N HA -0.282 4.458 4.740 -0.000 0.000 0.256 332 N C -0.077 175.247 175.510 -0.310 0.000 0.988 332 N CA 0.716 53.626 53.050 -0.234 0.000 0.832 332 N CB -0.697 37.560 38.487 -0.384 0.000 0.972 332 N HN 0.391 nan 8.380 nan 0.000 0.562 333 F N -3.697 116.008 119.950 -0.408 0.000 2.999 333 F HA -0.228 4.299 4.527 -0.000 0.000 0.291 333 F C 1.033 176.584 175.800 -0.416 0.000 0.824 333 F CA -0.688 56.876 58.000 -0.727 0.000 1.255 333 F CB -2.315 36.412 39.000 -0.454 0.000 1.333 333 F HN 0.093 nan 8.300 nan 0.000 0.502 334 I N 0.416 120.934 120.570 -0.086 0.000 3.495 334 I HA 0.096 4.266 4.170 -0.000 0.000 0.273 334 I C 1.744 177.891 176.117 0.051 0.000 1.313 334 I CA 1.641 62.927 61.300 -0.024 0.000 1.313 334 I CB -0.290 37.706 38.000 -0.006 0.000 1.355 334 I HN 0.572 nan 8.210 nan 0.000 0.623 335 G N 3.025 111.861 108.800 0.060 0.000 2.386 335 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.295 335 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.295 335 G C 0.255 175.191 174.900 0.061 0.000 0.979 335 G CA 0.243 45.390 45.100 0.078 0.000 1.193 335 G HN 0.427 nan 8.290 nan 0.000 0.508 336 L N 0.468 121.717 121.223 0.043 0.000 3.277 336 L HA 0.581 4.921 4.340 -0.000 0.000 0.178 336 L C 2.119 178.954 176.870 -0.058 0.000 1.384 336 L CA 0.334 55.168 54.840 -0.010 0.000 1.254 336 L CB -1.067 40.960 42.059 -0.054 0.000 1.593 336 L HN 0.410 nan 8.230 nan 0.000 0.748 337 M N -0.379 119.121 119.600 -0.168 0.000 2.164 337 M HA -0.171 4.309 4.480 -0.000 0.000 0.270 337 M C -0.598 175.603 176.300 -0.166 0.000 1.154 337 M CA 0.614 55.720 55.300 -0.323 0.000 1.106 337 M CB -0.326 31.563 32.600 -1.186 0.000 1.341 337 M HN 0.145 nan 8.290 nan 0.000 0.416 338 Y N 1.091 121.606 120.300 0.358 0.000 2.921 338 Y HA 0.235 4.785 4.550 -0.000 0.000 0.346 338 Y C -0.072 176.215 175.900 0.645 0.000 1.182 338 Y CA -0.890 57.476 58.100 0.444 0.000 1.319 338 Y CB -0.825 37.785 38.460 0.249 0.000 1.403 338 Y HN 0.387 nan 8.280 nan 0.000 0.554 339 Y N 0.259 121.052 120.300 0.821 0.000 3.209 339 Y HA -0.132 4.418 4.550 -0.000 0.000 0.482 339 Y C 2.019 178.180 175.900 0.436 0.000 1.042 339 Y CA 0.851 59.407 58.100 0.761 0.000 1.999 339 Y CB -0.730 37.911 38.460 0.301 0.000 1.632 339 Y HN 0.315 nan 8.280 nan 0.000 0.657 340 N N -0.423 118.576 118.700 0.498 0.000 2.415 340 N HA -0.311 4.429 4.740 -0.000 0.000 0.207 340 N C 1.622 177.218 175.510 0.143 0.000 0.941 340 N CA 1.368 54.571 53.050 0.255 0.000 0.966 340 N CB -0.428 38.167 38.487 0.180 0.000 1.022 340 N HN 0.255 nan 8.380 nan 0.000 0.563 341 S N -1.202 114.575 115.700 0.129 0.000 2.516 341 S HA -0.150 4.320 4.470 -0.000 0.000 0.227 341 S C 1.565 176.145 174.600 -0.033 0.000 1.221 341 S CA 2.559 60.761 58.200 0.004 0.000 1.780 341 S CB -0.254 62.872 63.200 -0.123 0.000 0.988 341 S HN 0.692 nan 8.310 nan 0.000 0.380 342 T N -4.717 109.776 114.554 -0.101 0.000 3.598 342 T HA 0.089 4.439 4.350 -0.000 0.000 0.281 342 T C 0.771 175.374 174.700 -0.163 0.000 0.905 342 T CA 0.334 62.369 62.100 -0.109 0.000 0.800 342 T CB -0.838 67.986 68.868 -0.073 0.000 1.145 342 T HN 0.600 nan 8.240 nan 0.000 0.837 343 G N 1.548 110.230 108.800 -0.197 0.000 3.596 343 G HA2 0.286 4.246 3.960 -0.000 0.000 0.274 343 G HA3 0.286 4.246 3.960 -0.000 0.000 0.274 343 G C 0.803 175.544 174.900 -0.266 0.000 1.007 343 G CA 0.314 45.293 45.100 -0.202 0.000 0.825 343 G HN 0.584 nan 8.290 nan 0.000 0.508 344 N N 0.251 118.735 118.700 -0.360 0.000 2.397 344 N HA 0.057 4.797 4.740 -0.000 0.000 0.190 344 N C 1.263 176.462 175.510 -0.520 0.000 1.099 344 N CA -0.189 52.617 53.050 -0.407 0.000 0.876 344 N CB 0.030 38.122 38.487 -0.658 0.000 1.143 344 N HN 0.251 nan 8.380 nan 0.000 0.468 345 M N 1.189 120.380 119.600 -0.681 0.000 1.893 345 M HA 0.088 4.568 4.480 -0.000 0.000 0.181 345 M C 0.781 176.234 176.300 -1.411 0.000 1.183 345 M CA 0.774 55.226 55.300 -1.413 0.000 0.790 345 M CB -0.126 31.876 32.600 -0.998 0.000 1.073 345 M HN 0.087 nan 8.290 nan 0.000 0.295 346 G N -0.336 107.370 108.800 -1.824 0.000 2.643 346 G HA2 0.617 4.577 3.960 -0.000 0.000 0.305 346 G HA3 0.617 4.577 3.960 -0.000 0.000 0.305 346 G C -0.964 173.791 174.900 -0.242 0.000 1.387 346 G CA -0.727 44.040 45.100 -0.556 0.000 0.982 346 G HN 0.846 nan 8.290 nan 0.000 0.501 347 V N -0.044 119.784 119.914 -0.143 0.000 3.234 347 V HA 0.844 4.964 4.120 -0.000 0.000 0.317 347 V C -0.847 175.205 176.094 -0.069 0.000 1.147 347 V CA -1.288 60.961 62.300 -0.084 0.000 1.037 347 V CB 1.912 33.691 31.823 -0.074 0.000 1.148 347 V HN 0.525 nan 8.190 nan 0.000 0.455 348 L N 1.421 122.611 121.223 -0.054 0.000 2.528 348 L HA 0.849 5.189 4.340 -0.000 0.000 0.267 348 L C -0.138 176.736 176.870 0.007 0.000 0.961 348 L CA -0.321 54.502 54.840 -0.030 0.000 0.866 348 L CB 0.587 42.591 42.059 -0.092 0.000 1.248 348 L HN 1.180 nan 8.230 nan 0.000 0.404 349 A N 1.304 124.165 122.820 0.069 0.000 2.374 349 A HA 0.782 5.102 4.320 -0.000 0.000 0.317 349 A C 0.663 178.362 177.584 0.192 0.000 1.094 349 A CA -0.188 51.904 52.037 0.091 0.000 0.765 349 A CB 1.607 20.646 19.000 0.065 0.000 1.268 349 A HN 0.814 nan 8.150 nan 0.000 0.438 350 G N 1.216 110.143 108.800 0.211 0.000 3.180 350 G HA2 0.235 4.195 3.960 -0.000 0.000 0.252 350 G HA3 0.235 4.195 3.960 -0.000 0.000 0.252 350 G C 0.896 175.886 174.900 0.149 0.000 0.871 350 G CA 0.564 45.859 45.100 0.325 0.000 1.979 350 G HN 1.047 nan 8.290 nan 0.000 0.624 351 Q N 0.490 120.360 119.800 0.116 0.000 2.303 351 Q HA -0.395 3.945 4.340 -0.000 0.000 0.219 351 Q C 1.825 177.841 176.000 0.027 0.000 1.050 351 Q CA 2.212 58.048 55.803 0.054 0.000 0.987 351 Q CB -0.686 28.071 28.738 0.031 0.000 1.059 351 Q HN 0.592 nan 8.270 nan 0.000 0.429 352 A N -0.821 122.008 122.820 0.014 0.000 2.223 352 A HA 0.219 4.539 4.320 -0.000 0.000 0.222 352 A C 0.961 178.557 177.584 0.020 0.000 1.317 352 A CA 0.771 52.812 52.037 0.007 0.000 0.985 352 A CB -0.088 18.909 19.000 -0.004 0.000 0.858 352 A HN 0.508 nan 8.150 nan 0.000 0.496 353 S N -2.212 113.505 115.700 0.028 0.000 6.930 353 S HA 0.046 4.516 4.470 -0.000 0.000 0.064 353 S C -1.010 173.609 174.600 0.031 0.000 1.367 353 S CA 0.166 58.381 58.200 0.026 0.000 1.206 353 S CB -0.028 63.189 63.200 0.029 0.000 1.475 353 S HN 0.544 nan 8.310 nan 0.000 0.532 354 Q N 0.690 120.516 119.800 0.043 0.000 1.901 354 Q HA 0.025 4.365 4.340 -0.000 0.000 0.261 354 Q C -1.897 174.125 176.000 0.037 0.000 0.706 354 Q CA 0.195 56.023 55.803 0.043 0.000 0.397 354 Q CB -1.262 27.494 28.738 0.030 0.000 0.573 354 Q HN 0.516 nan 8.270 nan 0.000 0.319 355 L N 2.207 123.457 121.223 0.045 0.000 2.257 355 L HA 0.576 4.916 4.340 -0.000 0.000 0.290 355 L C -0.538 176.346 176.870 0.023 0.000 1.044 355 L CA 0.181 55.040 54.840 0.031 0.000 0.810 355 L CB 1.068 43.143 42.059 0.027 0.000 1.193 355 L HN 0.406 nan 8.230 nan 0.000 0.425 356 N N 3.881 122.592 118.700 0.019 0.000 2.531 356 N HA 0.527 5.267 4.740 -0.000 0.000 0.268 356 N C -0.130 175.399 175.510 0.032 0.000 1.023 356 N CA -0.128 52.931 53.050 0.015 0.000 0.896 356 N CB 1.669 40.160 38.487 0.007 0.000 1.233 356 N HN 0.608 nan 8.380 nan 0.000 0.512 357 A N 2.627 125.476 122.820 0.047 0.000 2.630 357 A HA 0.238 4.558 4.320 -0.000 0.000 0.290 357 A C -0.296 177.442 177.584 0.256 0.000 1.267 357 A CA -0.332 51.778 52.037 0.121 0.000 0.950 357 A CB -0.135 18.918 19.000 0.089 0.000 1.144 357 A HN 0.360 nan 8.150 nan 0.000 0.527 358 V N 1.222 121.228 119.914 0.152 0.000 2.364 358 V HA 0.137 4.257 4.120 -0.000 0.000 0.252 358 V C -0.060 176.093 176.094 0.097 0.000 1.075 358 V CA 0.065 62.469 62.300 0.174 0.000 1.033 358 V CB 0.320 32.169 31.823 0.045 0.000 1.116 358 V HN 0.195 nan 8.190 nan 0.000 0.488 359 V N 3.847 123.796 119.914 0.058 0.000 2.225 359 V HA 0.262 4.382 4.120 -0.000 0.000 0.264 359 V C 0.167 176.128 176.094 -0.222 0.000 1.067 359 V CA -0.501 61.721 62.300 -0.130 0.000 0.903 359 V CB 0.605 32.325 31.823 -0.173 0.000 1.136 359 V HN 0.750 nan 8.190 nan 0.000 0.456 360 D N 3.300 123.663 120.400 -0.060 0.000 2.358 360 D HA 0.279 4.919 4.640 -0.000 0.000 0.258 360 D C -0.061 176.236 176.300 -0.005 0.000 1.223 360 D CA 0.326 54.339 54.000 0.020 0.000 0.886 360 D CB 1.862 42.768 40.800 0.177 0.000 1.120 360 D HN 0.323 nan 8.370 nan 0.000 0.482 361 L N 2.054 123.267 121.223 -0.016 0.000 2.472 361 L HA 0.103 4.443 4.340 -0.000 0.000 0.256 361 L C 1.646 178.524 176.870 0.013 0.000 1.111 361 L CA -0.387 54.444 54.840 -0.015 0.000 0.800 361 L CB 1.083 43.122 42.059 -0.033 0.000 1.286 361 L HN 0.341 nan 8.230 nan 0.000 0.479 362 Q N -0.506 119.291 119.800 -0.004 0.000 2.200 362 Q HA -0.089 4.251 4.340 -0.000 0.000 0.197 362 Q C 1.178 177.164 176.000 -0.023 0.000 0.953 362 Q CA 0.866 56.665 55.803 -0.006 0.000 0.851 362 Q CB 0.179 28.909 28.738 -0.015 0.000 0.938 362 Q HN 0.610 nan 8.270 nan 0.000 0.488 363 D N 0.973 121.350 120.400 -0.038 0.000 2.108 363 D HA -0.163 4.477 4.640 -0.000 0.000 0.190 363 D C 0.759 177.014 176.300 -0.076 0.000 0.995 363 D CA 1.072 55.030 54.000 -0.071 0.000 0.834 363 D CB -0.067 40.695 40.800 -0.064 0.000 0.967 363 D HN -0.034 nan 8.370 nan 0.000 0.446 364 R N 1.646 122.127 120.500 -0.032 0.000 2.401 364 R HA 0.052 4.392 4.340 -0.000 0.000 0.299 364 R C -0.934 175.394 176.300 0.047 0.000 1.064 364 R CA -0.057 56.046 56.100 0.005 0.000 1.000 364 R CB 0.136 30.487 30.300 0.085 0.000 0.973 364 R HN 0.024 nan 8.270 nan 0.000 0.438 365 N N 2.777 121.502 118.700 0.042 0.000 2.372 365 N HA 0.189 4.929 4.740 -0.000 0.000 0.285 365 N C -0.055 175.502 175.510 0.079 0.000 1.008 365 N CA -0.375 52.711 53.050 0.061 0.000 0.880 365 N CB 1.802 40.321 38.487 0.052 0.000 1.239 365 N HN 0.503 nan 8.380 nan 0.000 0.484 366 T N 2.121 116.699 114.554 0.040 0.000 2.558 366 T HA -0.116 4.234 4.350 -0.000 0.000 0.247 366 T C 1.118 175.786 174.700 -0.052 0.000 1.146 366 T CA 1.109 63.186 62.100 -0.038 0.000 1.289 366 T CB -0.607 68.132 68.868 -0.215 0.000 0.905 366 T HN 0.674 nan 8.240 nan 0.000 0.397 367 E N 0.075 120.199 120.200 -0.127 0.000 2.451 367 E HA -0.226 4.124 4.350 -0.000 0.000 0.241 367 E C -0.439 176.154 176.600 -0.013 0.000 1.139 367 E CA 1.268 57.612 56.400 -0.094 0.000 1.034 367 E CB -0.360 29.321 29.700 -0.032 0.000 0.867 367 E HN 0.247 nan 8.360 nan 0.000 0.459 368 L N -1.318 119.925 121.223 0.033 0.000 2.343 368 L HA 0.381 4.721 4.340 -0.000 0.000 0.278 368 L C 0.314 177.221 176.870 0.063 0.000 0.996 368 L CA 0.037 54.897 54.840 0.033 0.000 0.831 368 L CB 2.106 44.137 42.059 -0.047 0.000 1.232 368 L HN -0.177 nan 8.230 nan 0.000 0.413 369 S N 0.235 115.985 115.700 0.085 0.000 2.364 369 S HA 0.158 4.628 4.470 -0.000 0.000 0.274 369 S C 0.703 175.343 174.600 0.066 0.000 1.016 369 S CA -0.235 58.035 58.200 0.117 0.000 1.332 369 S CB -0.001 63.259 63.200 0.100 0.000 1.056 369 S HN 0.563 nan 8.310 nan 0.000 0.525 370 Y N 3.284 123.516 120.300 -0.113 0.000 2.737 370 Y HA -0.036 4.514 4.550 -0.000 0.000 0.350 370 Y C 0.247 176.048 175.900 -0.165 0.000 0.728 370 Y CA 0.924 58.926 58.100 -0.164 0.000 1.450 370 Y CB -0.077 38.303 38.460 -0.133 0.000 1.258 370 Y HN 0.255 nan 8.280 nan 0.000 0.706 371 Q N 0.565 120.245 119.800 -0.201 0.000 3.200 371 Q HA -0.272 4.068 4.340 -0.000 0.000 0.108 371 Q C 0.090 176.050 176.000 -0.065 0.000 1.715 371 Q CA 1.062 56.741 55.803 -0.207 0.000 0.256 371 Q CB -1.240 27.399 28.738 -0.166 0.000 0.714 371 Q HN 1.148 nan 8.270 nan 0.000 0.364 372 L N -3.421 117.813 121.223 0.018 0.000 4.937 372 L HA -0.266 4.074 4.340 -0.000 0.000 0.422 372 L C -0.461 176.365 176.870 -0.074 0.000 1.059 372 L CA 1.876 56.713 54.840 -0.006 0.000 1.111 372 L CB -1.515 40.570 42.059 0.043 0.000 2.033 372 L HN 0.560 nan 8.230 nan 0.000 0.708 373 L N -0.170 120.993 121.223 -0.101 0.000 2.416 373 L HA 0.338 4.678 4.340 -0.000 0.000 0.188 373 L C 2.485 179.316 176.870 -0.064 0.000 1.145 373 L CA 1.743 56.536 54.840 -0.078 0.000 0.826 373 L CB -1.387 40.676 42.059 0.007 0.000 1.064 373 L HN 0.562 nan 8.230 nan 0.000 0.490 374 L N -0.790 120.394 121.223 -0.065 0.000 2.021 374 L HA -0.219 4.121 4.340 -0.000 0.000 0.215 374 L C 1.930 178.722 176.870 -0.129 0.000 1.074 374 L CA 2.519 57.315 54.840 -0.074 0.000 0.760 374 L CB -1.071 40.900 42.059 -0.147 0.000 0.889 374 L HN 0.372 nan 8.230 nan 0.000 0.433 375 D N -0.435 119.847 120.400 -0.198 0.000 2.363 375 D HA -0.120 4.520 4.640 -0.000 0.000 0.220 375 D C 2.094 178.266 176.300 -0.213 0.000 0.994 375 D CA 0.841 54.646 54.000 -0.324 0.000 0.890 375 D CB 0.235 40.623 40.800 -0.687 0.000 0.906 375 D HN 0.422 nan 8.370 nan 0.000 0.530 376 S N -0.676 114.948 115.700 -0.127 0.000 2.343 376 S HA -0.065 4.405 4.470 -0.000 0.000 0.219 376 S C 0.957 175.506 174.600 -0.084 0.000 1.033 376 S CA 1.035 59.185 58.200 -0.083 0.000 1.014 376 S CB -0.325 62.833 63.200 -0.070 0.000 0.915 376 S HN 0.446 nan 8.310 nan 0.000 0.435 377 I N -1.695 118.833 120.570 -0.070 0.000 2.412 377 I HA 0.757 4.927 4.170 -0.000 0.000 0.296 377 I C 0.098 176.190 176.117 -0.042 0.000 0.987 377 I CA -0.385 60.897 61.300 -0.030 0.000 1.180 377 I CB 1.518 39.521 38.000 0.005 0.000 1.340 377 I HN 0.331 nan 8.210 nan 0.000 0.455 378 G N 3.616 112.405 108.800 -0.019 0.000 2.662 378 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.558 378 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.558 378 G C -0.482 174.373 174.900 -0.074 0.000 1.081 378 G CA -0.512 44.562 45.100 -0.043 0.000 1.261 378 G HN 1.194 nan 8.290 nan 0.000 0.559 379 D N 1.065 121.437 120.400 -0.046 0.000 3.465 379 D HA -0.093 4.547 4.640 -0.000 0.000 0.252 379 D C 1.725 177.958 176.300 -0.110 0.000 1.399 379 D CA 0.230 54.193 54.000 -0.062 0.000 0.946 379 D CB 0.565 41.342 40.800 -0.038 0.000 1.183 379 D HN 0.391 nan 8.370 nan 0.000 0.622 380 R N 2.865 123.268 120.500 -0.162 0.000 2.387 380 R HA -0.052 4.287 4.340 -0.000 0.000 0.203 380 R C 0.639 176.844 176.300 -0.159 0.000 1.121 380 R CA 0.283 56.261 56.100 -0.203 0.000 1.129 380 R CB -0.790 29.279 30.300 -0.386 0.000 0.905 380 R HN 0.346 nan 8.270 nan 0.000 0.477 381 T N 1.472 115.939 114.554 -0.146 0.000 3.792 381 T HA 0.141 4.491 4.350 -0.000 0.000 0.233 381 T C 0.376 174.892 174.700 -0.307 0.000 0.860 381 T CA 0.399 62.410 62.100 -0.150 0.000 0.915 381 T CB -0.235 68.578 68.868 -0.093 0.000 1.216 381 T HN 0.137 nan 8.240 nan 0.000 0.664 382 R N 0.375 120.659 120.500 -0.359 0.000 2.799 382 R HA 0.554 4.894 4.340 -0.000 0.000 0.270 382 R C -1.504 174.542 176.300 -0.424 0.000 1.010 382 R CA -1.002 54.707 56.100 -0.651 0.000 0.916 382 R CB 1.982 32.071 30.300 -0.352 0.000 1.228 382 R HN 0.388 nan 8.270 nan 0.000 0.469 383 Y N -0.281 120.131 120.300 0.186 0.000 2.446 383 Y HA 0.721 5.271 4.550 -0.000 0.000 0.345 383 Y C -0.848 175.283 175.900 0.385 0.000 0.984 383 Y CA -1.177 57.109 58.100 0.311 0.000 1.058 383 Y CB 1.416 40.107 38.460 0.385 0.000 1.220 383 Y HN 0.402 nan 8.280 nan 0.000 0.455 384 F N 1.688 121.874 119.950 0.394 0.000 2.629 384 F HA 0.745 5.272 4.527 0.000 0.000 0.316 384 F C -0.206 175.635 175.800 0.067 0.000 1.081 384 F CA -0.768 57.340 58.000 0.181 0.000 0.954 384 F CB 2.174 41.247 39.000 0.123 0.000 1.337 384 F HN 0.738 nan 8.300 nan 0.000 0.474 385 S N 3.886 118.852 115.700 -1.223 0.000 3.986 385 S HA 0.434 4.904 4.470 -0.000 0.000 0.228 385 S C 1.006 174.920 174.600 -1.143 0.000 1.044 385 S CA 0.320 57.946 58.200 -0.956 0.000 1.556 385 S CB 0.300 63.076 63.200 -0.707 0.000 1.056 385 S HN 1.044 nan 8.310 nan 0.000 0.715 386 M N 0.457 119.628 119.600 -0.715 0.000 7.274 386 M HA -0.299 4.181 4.480 -0.000 0.000 0.289 386 M C 0.945 176.879 176.300 -0.611 0.000 0.478 386 M CA 2.575 57.529 55.300 -0.577 0.000 1.304 386 M CB -2.443 29.729 32.600 -0.714 0.000 0.473 386 M HN 0.875 nan 8.290 nan 0.000 0.520 387 W N 0.912 121.825 121.300 -0.645 0.000 1.854 387 W HA -0.165 4.495 4.660 -0.000 0.000 0.292 387 W C 0.567 176.835 176.519 -0.419 0.000 0.987 387 W CA 0.978 57.982 57.345 -0.568 0.000 1.018 387 W CB -0.403 29.073 29.460 0.027 0.000 1.128 387 W HN 0.669 nan 8.180 nan 0.000 0.492 388 N N -1.797 117.029 118.700 0.210 0.000 5.821 388 N HA -0.120 4.620 4.740 -0.000 0.000 0.137 388 N C 0.084 175.772 175.510 0.296 0.000 1.142 388 N CA -0.046 53.097 53.050 0.154 0.000 1.058 388 N CB -0.156 38.390 38.487 0.098 0.000 1.551 388 N HN 0.213 nan 8.380 nan 0.000 1.088 389 Q N 2.046 122.121 119.800 0.457 0.000 2.123 389 Q HA 0.290 4.630 4.340 -0.000 0.000 0.193 389 Q C 0.518 176.665 176.000 0.246 0.000 0.981 389 Q CA 0.671 56.682 55.803 0.346 0.000 0.833 389 Q CB 0.070 29.043 28.738 0.391 0.000 0.914 389 Q HN 0.559 nan 8.270 nan 0.000 0.484 390 A N 2.235 125.246 122.820 0.320 0.000 2.600 390 A HA 0.055 4.375 4.320 -0.000 0.000 0.253 390 A C -0.088 177.555 177.584 0.098 0.000 0.997 390 A CA 0.367 52.537 52.037 0.222 0.000 0.820 390 A CB -0.150 18.998 19.000 0.246 0.000 0.888 390 A HN 0.325 nan 8.150 nan 0.000 0.508 391 V N 4.416 124.343 119.914 0.021 0.000 2.364 391 V HA 0.185 4.305 4.120 -0.000 0.000 0.272 391 V C -0.306 175.712 176.094 -0.126 0.000 1.036 391 V CA -0.669 61.558 62.300 -0.122 0.000 0.880 391 V CB 0.572 32.172 31.823 -0.372 0.000 0.991 391 V HN 0.953 nan 8.190 nan 0.000 0.460 392 D N 5.091 125.436 120.400 -0.092 0.000 3.725 392 D HA -0.069 4.571 4.640 -0.000 0.000 0.268 392 D C 0.805 176.951 176.300 -0.256 0.000 1.464 392 D CA 0.583 54.536 54.000 -0.080 0.000 1.462 392 D CB -0.116 40.724 40.800 0.066 0.000 1.234 392 D HN 0.550 nan 8.370 nan 0.000 0.636 393 S N 1.103 116.584 115.700 -0.365 0.000 2.298 393 S HA 0.420 4.890 4.470 -0.000 0.000 0.245 393 S C 0.160 174.248 174.600 -0.852 0.000 1.230 393 S CA -0.521 57.275 58.200 -0.673 0.000 1.009 393 S CB 0.155 63.194 63.200 -0.269 0.000 1.019 393 S HN 0.557 nan 8.310 nan 0.000 0.459 394 Y N 0.145 120.420 120.300 -0.042 0.000 3.007 394 Y HA 0.434 4.984 4.550 -0.000 0.000 0.243 394 Y C -0.855 175.028 175.900 -0.028 0.000 0.892 394 Y CA -1.163 56.910 58.100 -0.044 0.000 1.136 394 Y CB -0.914 37.518 38.460 -0.046 0.000 1.205 394 Y HN 0.544 nan 8.280 nan 0.000 0.618 395 D N 1.226 121.689 120.400 0.105 0.000 5.148 395 D HA -0.128 4.512 4.640 -0.000 0.000 0.234 395 D C -1.745 174.623 176.300 0.112 0.000 1.348 395 D CA 0.328 54.385 54.000 0.095 0.000 1.228 395 D CB 0.738 41.592 40.800 0.091 0.000 0.664 395 D HN 0.262 nan 8.370 nan 0.000 0.328 396 P HA -0.223 nan 4.420 nan 0.000 0.230 396 P C 0.426 177.779 177.300 0.088 0.000 1.150 396 P CA 2.124 65.272 63.100 0.080 0.000 0.933 396 P CB -0.003 31.737 31.700 0.067 0.000 0.785 397 D N -1.919 118.542 120.400 0.102 0.000 2.587 397 D HA 0.162 4.802 4.640 -0.000 0.000 0.233 397 D C 0.853 177.226 176.300 0.122 0.000 1.213 397 D CA -0.128 53.939 54.000 0.111 0.000 0.827 397 D CB 0.226 41.102 40.800 0.128 0.000 1.006 397 D HN 0.092 nan 8.370 nan 0.000 0.490 398 V N -0.766 119.206 119.914 0.098 0.000 6.625 398 V HA 0.357 4.477 4.120 -0.000 0.000 0.279 398 V C 1.388 177.449 176.094 -0.055 0.000 1.662 398 V CA -0.800 61.532 62.300 0.054 0.000 0.603 398 V CB 0.859 32.719 31.823 0.062 0.000 1.529 398 V HN 0.050 nan 8.190 nan 0.000 0.377 399 R N 0.405 120.824 120.500 -0.134 0.000 3.176 399 R HA -0.300 4.040 4.340 -0.000 0.000 0.242 399 R C 1.456 177.595 176.300 -0.268 0.000 0.813 399 R CA 2.999 58.873 56.100 -0.377 0.000 1.271 399 R CB -2.220 27.415 30.300 -1.109 0.000 0.686 399 R HN 0.755 nan 8.270 nan 0.000 0.571 400 I N 2.284 122.693 120.570 -0.268 0.000 3.010 400 I HA 0.060 4.230 4.170 -0.000 0.000 0.271 400 I C 0.755 176.828 176.117 -0.074 0.000 1.293 400 I CA 1.203 62.402 61.300 -0.169 0.000 1.452 400 I CB -0.534 37.373 38.000 -0.156 0.000 1.082 400 I HN 0.411 nan 8.210 nan 0.000 0.484 401 I N 0.420 120.949 120.570 -0.069 0.000 8.412 401 I HA -0.218 3.952 4.170 -0.000 0.000 0.126 401 I C 0.461 176.616 176.117 0.065 0.000 1.855 401 I CA 0.459 61.744 61.300 -0.026 0.000 2.038 401 I CB -0.556 37.389 38.000 -0.090 0.000 3.825 401 I HN 0.289 nan 8.210 nan 0.000 0.169 402 E N 5.659 125.951 120.200 0.153 0.000 2.053 402 E HA 0.049 4.399 4.350 -0.000 0.000 0.297 402 E C 0.174 177.025 176.600 0.418 0.000 1.173 402 E CA -0.238 56.334 56.400 0.287 0.000 1.219 402 E CB 0.071 29.994 29.700 0.372 0.000 1.103 402 E HN 0.397 nan 8.360 nan 0.000 0.476 403 N N 3.198 122.063 118.700 0.275 0.000 2.950 403 N HA -0.092 4.648 4.740 -0.000 0.000 0.313 403 N C -0.405 175.312 175.510 0.346 0.000 1.213 403 N CA 0.260 53.481 53.050 0.286 0.000 1.184 403 N CB -0.109 38.479 38.487 0.169 0.000 1.454 403 N HN 0.491 nan 8.380 nan 0.000 0.532 404 H N -0.526 118.736 119.070 0.321 0.000 2.524 404 H HA 0.329 4.885 4.556 -0.000 0.000 0.297 404 H C 1.111 176.507 175.328 0.113 0.000 1.115 404 H CA -0.065 56.081 56.048 0.163 0.000 1.027 404 H CB -0.473 29.340 29.762 0.086 0.000 1.591 404 H HN 0.331 nan 8.280 nan 0.000 0.543 405 G N 1.854 110.756 108.800 0.170 0.000 2.596 405 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.295 405 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.295 405 G C -0.184 174.563 174.900 -0.255 0.000 1.240 405 G CA 0.655 45.824 45.100 0.115 0.000 0.985 405 G HN 0.765 nan 8.290 nan 0.000 0.555 406 T N -1.103 113.296 114.554 -0.258 0.000 2.855 406 T HA 0.719 5.069 4.350 -0.000 0.000 0.281 406 T C 0.019 174.537 174.700 -0.304 0.000 1.007 406 T CA -0.064 61.779 62.100 -0.429 0.000 1.009 406 T CB 2.313 71.053 68.868 -0.213 0.000 0.983 406 T HN 0.633 nan 8.240 nan 0.000 0.455 407 E N 0.674 120.672 120.200 -0.336 0.000 2.887 407 E HA 0.121 4.471 4.350 -0.000 0.000 0.206 407 E C -0.111 176.391 176.600 -0.163 0.000 0.983 407 E CA -0.334 55.950 56.400 -0.194 0.000 1.141 407 E CB 0.391 29.995 29.700 -0.160 0.000 1.061 407 E HN 0.712 nan 8.360 nan 0.000 0.468 408 D N 0.934 121.232 120.400 -0.171 0.000 1.966 408 D HA 0.007 4.647 4.640 -0.000 0.000 0.292 408 D C 0.773 177.019 176.300 -0.090 0.000 1.078 408 D CA 0.257 54.179 54.000 -0.130 0.000 0.850 408 D CB 0.029 40.750 40.800 -0.131 0.000 1.006 408 D HN -0.030 nan 8.370 nan 0.000 0.362 409 E N -2.382 117.770 120.200 -0.079 0.000 4.317 409 E HA -0.120 4.230 4.350 -0.000 0.000 0.160 409 E C -0.405 176.167 176.600 -0.047 0.000 0.854 409 E CA 0.775 57.140 56.400 -0.057 0.000 2.669 409 E CB -1.338 28.334 29.700 -0.047 0.000 1.533 409 E HN 0.319 nan 8.360 nan 0.000 0.635 410 L N 2.541 123.735 121.223 -0.048 0.000 2.264 410 L HA 0.415 4.755 4.340 -0.000 0.000 0.287 410 L C -2.273 174.556 176.870 -0.067 0.000 1.039 410 L CA -1.968 52.850 54.840 -0.036 0.000 0.829 410 L CB 0.735 42.785 42.059 -0.015 0.000 1.211 410 L HN -0.129 nan 8.230 nan 0.000 0.427 411 P HA -0.075 nan 4.420 nan 0.000 0.242 411 P C -0.890 176.166 177.300 -0.407 0.000 1.116 411 P CA 0.528 63.495 63.100 -0.222 0.000 0.954 411 P CB -0.084 31.535 31.700 -0.136 0.000 0.908 412 N N 2.356 120.822 118.700 -0.391 0.000 2.473 412 N HA 0.391 5.131 4.740 -0.000 0.000 0.291 412 N C -0.393 174.830 175.510 -0.479 0.000 1.083 412 N CA -0.365 52.501 53.050 -0.307 0.000 0.951 412 N CB 0.661 39.089 38.487 -0.100 0.000 1.164 412 N HN 0.267 nan 8.380 nan 0.000 0.480 413 Y N -0.463 119.898 120.300 0.102 0.000 2.631 413 Y HA 0.596 5.146 4.550 -0.000 0.000 0.328 413 Y C 0.103 176.047 175.900 0.073 0.000 1.118 413 Y CA -1.178 56.951 58.100 0.047 0.000 1.206 413 Y CB 1.174 39.636 38.460 0.003 0.000 1.337 413 Y HN 0.377 nan 8.280 nan 0.000 0.515 414 C N 2.456 121.825 119.300 0.114 0.000 2.534 414 C HA 0.636 5.096 4.460 -0.000 0.000 0.309 414 C C -1.309 173.681 174.990 0.001 0.000 1.072 414 C CA -1.110 57.964 59.018 0.095 0.000 1.441 414 C CB -2.202 25.558 27.740 0.033 0.000 1.906 414 C HN 0.581 nan 8.230 nan 0.000 0.429 415 F N 5.781 125.776 119.950 0.074 0.000 2.379 415 F HA 0.561 5.088 4.527 -0.000 0.000 0.332 415 F C -0.617 175.191 175.800 0.013 0.000 1.096 415 F CA -1.571 56.453 58.000 0.041 0.000 1.105 415 F CB 0.389 39.403 39.000 0.022 0.000 1.189 415 F HN 0.508 nan 8.300 nan 0.000 0.515 416 P HA -0.045 nan 4.420 nan 0.000 0.287 416 P C -0.183 177.150 177.300 0.055 0.000 1.282 416 P CA -0.022 63.130 63.100 0.086 0.000 0.804 416 P CB 0.520 32.268 31.700 0.079 0.000 1.323 417 L N -0.509 120.720 121.223 0.010 0.000 2.796 417 L HA 0.350 4.690 4.340 -0.000 0.000 0.235 417 L C 1.466 178.338 176.870 0.004 0.000 1.344 417 L CA 0.473 55.237 54.840 -0.126 0.000 1.245 417 L CB -0.679 41.163 42.059 -0.360 0.000 1.556 417 L HN 0.813 nan 8.230 nan 0.000 0.423 418 G N -0.149 108.684 108.800 0.055 0.000 3.102 418 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.200 418 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.200 418 G C 0.233 175.186 174.900 0.088 0.000 1.685 418 G CA -0.241 44.915 45.100 0.095 0.000 1.299 418 G HN 0.697 nan 8.290 nan 0.000 0.576 419 G N -1.434 107.428 108.800 0.103 0.000 2.694 419 G HA2 0.710 4.670 3.960 -0.000 0.000 0.246 419 G HA3 0.710 4.670 3.960 -0.000 0.000 0.246 419 G C -1.175 173.753 174.900 0.046 0.000 1.205 419 G CA 0.754 45.895 45.100 0.068 0.000 0.891 419 G HN 1.472 nan 8.290 nan 0.000 0.515 420 V N -0.962 118.950 119.914 -0.004 0.000 3.165 420 V HA 0.828 4.948 4.120 -0.000 0.000 0.307 420 V C -1.172 174.902 176.094 -0.034 0.000 1.281 420 V CA -0.843 61.444 62.300 -0.022 0.000 1.056 420 V CB 2.081 33.865 31.823 -0.064 0.000 1.178 420 V HN 0.733 nan 8.190 nan 0.000 0.475 421 I N 1.820 122.368 120.570 -0.036 0.000 2.796 421 I HA 0.452 4.622 4.170 -0.000 0.000 0.279 421 I C -0.221 175.876 176.117 -0.034 0.000 1.289 421 I CA 0.391 61.670 61.300 -0.035 0.000 1.021 421 I CB 0.686 38.670 38.000 -0.026 0.000 1.414 421 I HN 0.621 nan 8.210 nan 0.000 0.562 422 N N 2.672 121.346 118.700 -0.043 0.000 2.299 422 N HA 0.104 4.844 4.740 -0.000 0.000 0.246 422 N C -0.136 175.355 175.510 -0.031 0.000 1.254 422 N CA -0.082 52.948 53.050 -0.033 0.000 0.879 422 N CB 0.541 39.005 38.487 -0.040 0.000 1.214 422 N HN 0.516 nan 8.380 nan 0.000 0.510 423 T N -1.632 112.901 114.554 -0.034 0.000 2.817 423 T HA 0.113 4.463 4.350 -0.000 0.000 0.295 423 T C 0.678 175.364 174.700 -0.023 0.000 0.958 423 T CA -0.157 61.924 62.100 -0.031 0.000 1.157 423 T CB 0.899 69.746 68.868 -0.035 0.000 0.898 423 T HN 0.153 nan 8.240 nan 0.000 0.536 424 E N 2.967 123.155 120.200 -0.019 0.000 3.840 424 E HA 0.234 4.584 4.350 -0.000 0.000 0.562 424 E C -0.184 176.406 176.600 -0.016 0.000 0.276 424 E CA -0.257 56.133 56.400 -0.016 0.000 3.476 424 E CB 0.097 29.790 29.700 -0.013 0.000 2.293 424 E HN 0.672 nan 8.360 nan 0.000 0.336 425 T N 0.790 115.336 114.554 -0.014 0.000 4.307 425 T HA 0.285 4.635 4.350 -0.000 0.000 0.339 425 T C -1.513 173.181 174.700 -0.010 0.000 0.801 425 T CA -0.447 61.646 62.100 -0.013 0.000 0.962 425 T CB 0.170 69.029 68.868 -0.014 0.000 1.110 425 T HN 0.096 nan 8.240 nan 0.000 0.466 426 L N 2.168 123.387 121.223 -0.007 0.000 2.334 426 L HA 0.878 5.218 4.340 -0.000 0.000 0.270 426 L C 0.891 177.762 176.870 0.001 0.000 1.018 426 L CA -0.631 54.207 54.840 -0.004 0.000 0.811 426 L CB 0.961 43.019 42.059 -0.001 0.000 1.271 426 L HN 0.456 nan 8.230 nan 0.000 0.443 427 T N -1.565 112.990 114.554 0.002 0.000 2.919 427 T HA 0.475 4.825 4.350 -0.000 0.000 0.282 427 T C -0.361 174.350 174.700 0.019 0.000 1.020 427 T CA -0.986 61.119 62.100 0.008 0.000 0.994 427 T CB 1.371 70.238 68.868 -0.001 0.000 1.180 427 T HN 0.305 nan 8.240 nan 0.000 0.566 428 K N 1.374 121.791 120.400 0.029 0.000 2.156 428 K HA 0.622 4.942 4.320 -0.000 0.000 0.271 428 K C -1.012 175.615 176.600 0.046 0.000 0.995 428 K CA -0.462 55.851 56.287 0.042 0.000 0.890 428 K CB 1.200 33.737 32.500 0.062 0.000 1.073 428 K HN 0.403 nan 8.250 nan 0.000 0.454 429 V N 1.989 121.934 119.914 0.050 0.000 2.769 429 V HA 0.615 4.735 4.120 -0.000 0.000 0.312 429 V C -0.461 175.671 176.094 0.064 0.000 1.061 429 V CA -1.009 61.331 62.300 0.066 0.000 0.931 429 V CB 1.702 33.571 31.823 0.078 0.000 1.010 429 V HN 0.849 nan 8.190 nan 0.000 0.433 430 K N 3.971 124.417 120.400 0.076 0.000 2.578 430 K HA 0.766 5.086 4.320 -0.000 0.000 0.287 430 K C -3.246 173.394 176.600 0.067 0.000 1.010 430 K CA -1.101 55.222 56.287 0.059 0.000 0.889 430 K CB 3.045 35.575 32.500 0.050 0.000 1.514 430 K HN 0.486 nan 8.250 nan 0.000 0.424 431 P HA 0.560 nan 4.420 nan 0.000 0.341 431 P C -0.975 176.333 177.300 0.013 0.000 1.255 431 P CA -0.150 62.962 63.100 0.021 0.000 0.790 431 P CB 2.134 33.832 31.700 -0.004 0.000 1.437 432 K N -3.625 116.769 120.400 -0.010 0.000 1.335 432 K HA 0.055 4.375 4.320 -0.000 0.000 0.085 432 K C -0.655 175.922 176.600 -0.037 0.000 2.442 432 K CA 1.014 57.294 56.287 -0.012 0.000 1.048 432 K CB -0.957 31.545 32.500 0.003 0.000 2.722 432 K HN 0.483 nan 8.250 nan 0.000 0.345 433 T N -0.091 114.426 114.554 -0.062 0.000 0.543 433 T HA 0.054 4.404 4.350 -0.000 0.000 0.774 433 T C -0.220 174.410 174.700 -0.117 0.000 0.992 433 T CA 1.195 63.220 62.100 -0.124 0.000 4.076 433 T CB -0.403 68.390 68.868 -0.126 0.000 2.302 433 T HN 0.727 nan 8.240 nan 0.000 0.398 434 G N 3.526 112.229 108.800 -0.162 0.000 2.502 434 G HA2 0.554 4.514 3.960 -0.000 0.000 0.311 434 G HA3 0.554 4.514 3.960 -0.000 0.000 0.311 434 G C 0.249 175.063 174.900 -0.144 0.000 1.270 434 G CA 0.322 45.352 45.100 -0.117 0.000 0.948 434 G HN 0.912 nan 8.290 nan 0.000 0.487 435 Q N 0.895 120.633 119.800 -0.104 0.000 1.896 435 Q HA -0.253 4.087 4.340 -0.000 0.000 0.274 435 Q C 0.747 176.673 176.000 -0.123 0.000 2.442 435 Q CA 2.022 57.766 55.803 -0.098 0.000 0.777 435 Q CB -1.113 27.569 28.738 -0.093 0.000 1.652 435 Q HN 0.631 nan 8.270 nan 0.000 0.564 436 E N -0.277 119.819 120.200 -0.173 0.000 2.783 436 E HA 0.116 4.466 4.350 -0.000 0.000 0.205 436 E C 0.140 176.563 176.600 -0.295 0.000 0.955 436 E CA 0.080 56.371 56.400 -0.181 0.000 1.594 436 E CB -0.094 29.532 29.700 -0.124 0.000 1.686 436 E HN 0.420 nan 8.360 nan 0.000 0.902 437 N N 2.934 121.368 118.700 -0.444 0.000 3.178 437 N HA 0.215 4.955 4.740 -0.000 0.000 0.300 437 N C 0.260 174.921 175.510 -1.415 0.000 1.242 437 N CA 0.275 52.803 53.050 -0.869 0.000 1.192 437 N CB 0.369 38.334 38.487 -0.869 0.000 1.463 437 N HN 0.064 nan 8.380 nan 0.000 0.539 438 G N 0.377 108.696 108.800 -0.802 0.000 2.415 438 G HA2 0.451 4.411 3.960 -0.000 0.000 0.269 438 G HA3 0.451 4.411 3.960 -0.000 0.000 0.269 438 G C -0.968 173.676 174.900 -0.426 0.000 1.209 438 G CA -0.630 44.092 45.100 -0.631 0.000 0.835 438 G HN 0.426 nan 8.290 nan 0.000 0.534 439 W N 1.161 122.463 121.300 0.003 0.000 3.439 439 W HA 0.683 5.343 4.660 -0.000 0.000 0.323 439 W C -0.332 176.191 176.519 0.006 0.000 1.174 439 W CA -1.096 56.252 57.345 0.004 0.000 1.224 439 W CB 0.967 30.429 29.460 0.004 0.000 1.348 439 W HN 0.492 nan 8.180 nan 0.000 0.498 440 E N 1.579 121.909 120.200 0.217 0.000 3.611 440 E HA 0.570 4.920 4.350 -0.000 0.000 0.111 440 E C -0.680 175.979 176.600 0.099 0.000 1.120 440 E CA -0.950 55.531 56.400 0.135 0.000 0.766 440 E CB 0.891 30.645 29.700 0.091 0.000 1.996 440 E HN 0.408 nan 8.360 nan 0.000 0.453 441 K N -0.246 120.199 120.400 0.075 0.000 2.886 441 K HA 0.545 4.865 4.320 -0.000 0.000 0.291 441 K C -1.925 174.715 176.600 0.066 0.000 1.057 441 K CA -0.734 55.592 56.287 0.065 0.000 0.797 441 K CB 0.712 33.246 32.500 0.056 0.000 1.490 441 K HN 0.222 nan 8.250 nan 0.000 0.365 442 D N -0.889 119.557 120.400 0.078 0.000 2.927 442 D HA 0.603 5.243 4.640 -0.000 0.000 0.219 442 D C -1.092 175.295 176.300 0.145 0.000 1.248 442 D CA -0.134 53.932 54.000 0.111 0.000 0.861 442 D CB 2.366 43.231 40.800 0.109 0.000 1.677 442 D HN 0.841 nan 8.370 nan 0.000 0.511 447 S N 0.186 115.937 115.700 0.086 0.000 2.675 447 S HA 0.326 4.796 4.470 -0.000 0.000 0.297 447 S C -0.731 173.881 174.600 0.021 0.000 1.035 447 S CA -0.292 57.943 58.200 0.057 0.000 0.852 447 S CB 0.799 64.045 63.200 0.077 0.000 1.051 447 S HN 0.321 nan 8.310 nan 0.000 0.451 448 D N 2.479 122.883 120.400 0.007 0.000 3.136 448 D HA 0.154 4.794 4.640 -0.000 0.000 0.254 448 D C 0.191 176.488 176.300 -0.004 0.000 1.563 448 D CA 0.072 54.069 54.000 -0.004 0.000 1.225 448 D CB -0.201 40.590 40.800 -0.015 0.000 1.079 448 D HN 0.490 nan 8.370 nan 0.000 0.314 449 K N 1.366 121.762 120.400 -0.007 0.000 2.316 449 K HA 0.265 4.585 4.320 -0.000 0.000 0.267 449 K C -0.923 175.672 176.600 -0.008 0.000 1.025 449 K CA -0.543 55.739 56.287 -0.009 0.000 0.896 449 K CB 0.486 32.978 32.500 -0.013 0.000 1.124 449 K HN 0.121 nan 8.250 nan 0.000 0.451 450 N N 3.806 122.501 118.700 -0.008 0.000 2.757 450 N HA 0.056 4.796 4.740 -0.000 0.000 0.296 450 N C -1.203 174.297 175.510 -0.017 0.000 1.874 450 N CA -0.574 52.470 53.050 -0.010 0.000 0.885 450 N CB 0.767 39.254 38.487 -0.001 0.000 1.242 450 N HN 0.605 nan 8.380 nan 0.000 0.488 451 E N 1.439 121.624 120.200 -0.024 0.000 2.672 451 E HA 0.012 4.362 4.350 -0.000 0.000 0.234 451 E C -0.308 176.272 176.600 -0.033 0.000 1.162 451 E CA 0.630 57.013 56.400 -0.030 0.000 0.952 451 E CB 0.213 29.891 29.700 -0.038 0.000 0.987 451 E HN 0.506 nan 8.360 nan 0.000 0.507 452 I N 2.738 123.292 120.570 -0.026 0.000 2.377 452 I HA 0.183 4.353 4.170 -0.000 0.000 0.293 452 I C 0.365 176.465 176.117 -0.029 0.000 0.987 452 I CA -1.163 60.122 61.300 -0.025 0.000 1.185 452 I CB 1.232 39.222 38.000 -0.016 0.000 1.341 452 I HN 0.240 nan 8.210 nan 0.000 0.455 453 R N 6.353 126.833 120.500 -0.033 0.000 2.488 453 R HA 0.078 4.418 4.340 -0.000 0.000 0.306 453 R C -0.438 175.839 176.300 -0.039 0.000 1.271 453 R CA -0.245 55.829 56.100 -0.044 0.000 1.022 453 R CB -0.554 29.719 30.300 -0.046 0.000 1.054 453 R HN 0.458 nan 8.270 nan 0.000 0.500 454 V N 3.833 123.725 119.914 -0.037 0.000 1.929 454 V HA 0.316 4.436 4.120 -0.000 0.000 0.238 454 V C 1.249 177.327 176.094 -0.025 0.000 1.719 454 V CA 0.555 62.840 62.300 -0.024 0.000 1.654 454 V CB -1.737 30.076 31.823 -0.016 0.000 1.574 454 V HN 0.872 nan 8.190 nan 0.000 0.497 455 G N 1.993 110.776 108.800 -0.027 0.000 2.225 455 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.203 455 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.203 455 G C -0.814 174.069 174.900 -0.028 0.000 1.335 455 G CA -0.262 44.827 45.100 -0.018 0.000 1.183 455 G HN 0.638 nan 8.290 nan 0.000 0.488 456 N N 0.753 119.446 118.700 -0.012 0.000 2.498 456 N HA 0.495 5.235 4.740 -0.000 0.000 0.287 456 N C -0.386 175.050 175.510 -0.123 0.000 1.097 456 N CA -0.347 52.709 53.050 0.010 0.000 0.973 456 N CB 0.680 39.237 38.487 0.118 0.000 1.153 456 N HN 0.770 nan 8.380 nan 0.000 0.472 457 N N 3.575 122.240 118.700 -0.058 0.000 2.424 457 N HA 0.185 4.925 4.740 -0.000 0.000 0.271 457 N C -0.713 174.850 175.510 0.089 0.000 0.985 457 N CA -0.383 52.581 53.050 -0.143 0.000 0.921 457 N CB 0.315 38.799 38.487 -0.004 0.000 1.149 457 N HN 0.181 nan 8.380 nan 0.000 0.492 458 F N 1.924 121.880 119.950 0.009 0.000 1.952 458 F HA 0.545 5.072 4.527 -0.000 0.000 0.223 458 F C 1.647 177.208 175.800 -0.399 0.000 0.960 458 F CA 0.020 57.956 58.000 -0.108 0.000 1.199 458 F CB -0.997 37.959 39.000 -0.074 0.000 1.957 458 F HN 0.730 nan 8.300 nan 0.000 0.534 459 A N -1.095 121.643 122.820 -0.136 0.000 4.978 459 A HA 0.709 5.029 4.320 -0.000 0.000 0.137 459 A C -1.235 176.279 177.584 -0.117 0.000 0.956 459 A CA -0.530 51.258 52.037 -0.415 0.000 1.577 459 A CB 0.891 19.549 19.000 -0.570 0.000 2.444 459 A HN 0.462 nan 8.150 nan 0.000 1.089 460 M N 1.742 121.319 119.600 -0.040 0.000 2.302 460 M HA 0.178 4.658 4.480 -0.000 0.000 0.207 460 M C -1.426 174.864 176.300 -0.017 0.000 1.016 460 M CA -0.061 55.234 55.300 -0.008 0.000 0.941 460 M CB 1.277 33.863 32.600 -0.022 0.000 2.701 460 M HN 0.722 nan 8.290 nan 0.000 0.377 461 E N 3.522 123.716 120.200 -0.010 0.000 2.558 461 E HA 0.234 4.584 4.350 -0.000 0.000 0.255 461 E C -0.340 176.191 176.600 -0.114 0.000 0.968 461 E CA 0.752 57.078 56.400 -0.123 0.000 0.939 461 E CB 1.349 31.029 29.700 -0.034 0.000 0.921 461 E HN 0.662 nan 8.360 nan 0.000 0.477 462 I N 2.364 122.811 120.570 -0.206 0.000 2.679 462 I HA -0.071 4.099 4.170 -0.000 0.000 0.292 462 I C -0.738 175.282 176.117 -0.162 0.000 1.698 462 I CA -0.624 60.594 61.300 -0.138 0.000 1.117 462 I CB 0.506 38.465 38.000 -0.069 0.000 1.608 462 I HN 0.556 nan 8.210 nan 0.000 0.462 463 N N 8.193 126.810 118.700 -0.139 0.000 2.307 463 N HA 0.381 5.121 4.740 -0.000 0.000 0.278 463 N C 0.119 175.575 175.510 -0.090 0.000 1.313 463 N CA 0.032 53.011 53.050 -0.120 0.000 0.938 463 N CB 0.146 38.570 38.487 -0.105 0.000 1.057 463 N HN 0.609 nan 8.380 nan 0.000 0.479 464 L N -1.506 119.667 121.223 -0.084 0.000 3.013 464 L HA 0.181 4.521 4.340 -0.000 0.000 0.181 464 L C 1.773 178.589 176.870 -0.090 0.000 1.369 464 L CA -0.244 54.549 54.840 -0.078 0.000 1.743 464 L CB -1.353 40.661 42.059 -0.074 0.000 1.790 464 L HN 0.415 nan 8.230 nan 0.000 0.899 465 N N 0.747 119.375 118.700 -0.120 0.000 2.118 465 N HA -0.336 4.404 4.740 -0.000 0.000 0.156 465 N C 1.438 176.874 175.510 -0.123 0.000 0.655 465 N CA 2.347 55.295 53.050 -0.170 0.000 0.880 465 N CB -0.244 38.095 38.487 -0.247 0.000 0.923 465 N HN 0.549 nan 8.380 nan 0.000 1.180 466 A N 0.314 123.088 122.820 -0.076 0.000 2.178 466 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 466 A C 2.000 179.612 177.584 0.048 0.000 1.157 466 A CA 1.170 53.211 52.037 0.007 0.000 0.689 466 A CB -0.185 18.802 19.000 -0.021 0.000 0.787 466 A HN 0.353 nan 8.150 nan 0.000 0.465 467 N N -0.580 118.124 118.700 0.008 0.000 2.278 467 N HA -0.035 4.705 4.740 -0.000 0.000 0.181 467 N C 1.558 177.082 175.510 0.023 0.000 1.023 467 N CA 0.813 53.871 53.050 0.013 0.000 0.862 467 N CB -0.345 38.134 38.487 -0.013 0.000 1.003 467 N HN 0.338 nan 8.380 nan 0.000 0.431 468 L N 0.733 121.934 121.223 -0.035 0.000 1.989 468 L HA -0.061 4.279 4.340 -0.000 0.000 0.211 468 L C 1.366 178.282 176.870 0.076 0.000 1.071 468 L CA 1.332 56.075 54.840 -0.162 0.000 0.749 468 L CB -0.874 40.989 42.059 -0.327 0.000 0.890 468 L HN 0.354 nan 8.230 nan 0.000 0.431 469 W N -0.313 120.913 121.300 -0.123 0.000 3.378 469 W HA -0.104 4.556 4.660 -0.000 0.000 0.314 469 W C 1.644 178.169 176.519 0.009 0.000 1.275 469 W CA 0.062 57.384 57.345 -0.038 0.000 1.624 469 W CB 0.148 29.568 29.460 -0.066 0.000 0.974 469 W HN 0.264 nan 8.180 nan 0.000 0.762 470 R N -1.272 119.321 120.500 0.156 0.000 3.359 470 R HA 0.030 4.370 4.340 -0.000 0.000 0.098 470 R C 1.290 177.663 176.300 0.122 0.000 0.779 470 R CA 0.797 56.962 56.100 0.107 0.000 1.967 470 R CB -0.614 29.733 30.300 0.079 0.000 1.617 470 R HN -0.070 nan 8.270 nan 0.000 0.469 471 N N -0.377 118.402 118.700 0.131 0.000 2.197 471 N HA 0.011 4.751 4.740 -0.000 0.000 0.184 471 N C 1.452 177.109 175.510 0.245 0.000 1.030 471 N CA 1.129 54.263 53.050 0.139 0.000 0.851 471 N CB -0.037 38.521 38.487 0.119 0.000 1.003 471 N HN 0.003 nan 8.380 nan 0.000 0.430 472 F N 2.397 122.378 119.950 0.051 0.000 2.063 472 F HA -0.290 4.237 4.527 -0.000 0.000 0.298 472 F C 2.310 178.111 175.800 0.002 0.000 1.105 472 F CA 1.027 59.048 58.000 0.035 0.000 1.215 472 F CB -0.204 38.819 39.000 0.039 0.000 0.972 472 F HN 0.006 nan 8.300 nan 0.000 0.483 473 L N -1.390 119.941 121.223 0.180 0.000 2.042 473 L HA -0.296 4.044 4.340 -0.000 0.000 0.210 473 L C 2.153 179.064 176.870 0.069 0.000 1.076 473 L CA 1.748 56.618 54.840 0.049 0.000 0.749 473 L CB -1.215 40.851 42.059 0.012 0.000 0.893 473 L HN 0.252 nan 8.230 nan 0.000 0.432 474 Y N -0.197 120.088 120.300 -0.025 0.000 2.482 474 Y HA 0.083 4.633 4.550 -0.000 0.000 0.270 474 Y C 1.522 177.381 175.900 -0.067 0.000 1.152 474 Y CA -0.229 57.840 58.100 -0.051 0.000 1.292 474 Y CB 0.648 39.090 38.460 -0.030 0.000 1.070 474 Y HN 0.114 nan 8.280 nan 0.000 0.528 475 S N 1.129 116.934 115.700 0.175 0.000 2.217 475 S HA 0.391 4.861 4.470 -0.000 0.000 0.168 475 S C -0.374 174.252 174.600 0.043 0.000 1.526 475 S CA -0.321 57.942 58.200 0.104 0.000 1.150 475 S CB -0.292 62.974 63.200 0.109 0.000 1.158 475 S HN 0.608 nan 8.310 nan 0.000 0.473 476 N N 1.525 120.211 118.700 -0.023 0.000 2.562 476 N HA -0.018 4.722 4.740 -0.000 0.000 0.310 476 N C 0.646 175.992 175.510 -0.272 0.000 0.701 476 N CA 0.709 53.646 53.050 -0.189 0.000 1.307 476 N CB -0.521 37.743 38.487 -0.371 0.000 1.987 476 N HN 0.488 nan 8.380 nan 0.000 1.582 477 I N 1.583 122.011 120.570 -0.237 0.000 2.685 477 I HA 0.293 4.463 4.170 -0.000 0.000 0.251 477 I C 1.649 177.665 176.117 -0.168 0.000 1.102 477 I CA 1.142 62.370 61.300 -0.120 0.000 1.442 477 I CB -0.067 37.909 38.000 -0.040 0.000 1.194 477 I HN 0.174 nan 8.210 nan 0.000 0.448 478 A N 1.054 123.752 122.820 -0.202 0.000 2.277 478 A HA 0.015 4.335 4.320 -0.000 0.000 0.208 478 A C 1.941 179.305 177.584 -0.366 0.000 1.202 478 A CA 0.837 52.692 52.037 -0.303 0.000 0.762 478 A CB -0.935 17.791 19.000 -0.457 0.000 0.770 478 A HN 0.595 nan 8.150 nan 0.000 0.487 479 L N -2.389 118.584 121.223 -0.416 0.000 2.416 479 L HA 0.087 4.427 4.340 -0.000 0.000 0.216 479 L C -0.101 176.463 176.870 -0.511 0.000 1.098 479 L CA 0.401 54.913 54.840 -0.547 0.000 0.840 479 L CB -0.022 41.517 42.059 -0.867 0.000 0.981 479 L HN 0.561 nan 8.230 nan 0.000 0.462 480 Y N 1.436 121.754 120.300 0.029 0.000 2.705 480 Y HA 0.549 5.099 4.550 -0.000 0.000 0.355 480 Y C -0.758 175.152 175.900 0.017 0.000 1.039 480 Y CA -1.278 56.846 58.100 0.039 0.000 1.233 480 Y CB 0.414 38.931 38.460 0.096 0.000 1.103 480 Y HN -0.160 nan 8.280 nan 0.000 0.624 481 L N -0.585 120.679 121.223 0.070 0.000 2.388 481 L HA 0.840 5.180 4.340 -0.000 0.000 0.264 481 L C -2.863 174.013 176.870 0.010 0.000 0.998 481 L CA -2.956 51.905 54.840 0.034 0.000 0.817 481 L CB 0.596 42.646 42.059 -0.015 0.000 1.338 481 L HN -0.038 nan 8.230 nan 0.000 0.414 482 P HA -0.181 nan 4.420 nan 0.000 0.266 482 P C -0.730 176.564 177.300 -0.011 0.000 1.126 482 P CA 0.711 63.820 63.100 0.014 0.000 0.751 482 P CB 0.232 31.941 31.700 0.015 0.000 0.719 483 D N 2.974 123.379 120.400 0.007 0.000 2.639 483 D HA 0.103 4.743 4.640 -0.000 0.000 0.233 483 D C 1.032 177.351 176.300 0.032 0.000 1.161 483 D CA 0.186 54.188 54.000 0.004 0.000 1.003 483 D CB 0.071 40.906 40.800 0.058 0.000 1.034 483 D HN 0.391 nan 8.370 nan 0.000 0.514 484 K N 0.605 121.013 120.400 0.014 0.000 3.080 484 K HA -0.025 4.295 4.320 -0.000 0.000 0.200 484 K C 1.531 178.146 176.600 0.025 0.000 1.741 484 K CA -0.018 56.285 56.287 0.026 0.000 1.386 484 K CB -0.320 32.188 32.500 0.014 0.000 2.059 484 K HN 0.169 nan 8.250 nan 0.000 0.612 485 L N 0.257 121.482 121.223 0.004 0.000 2.341 485 L HA 0.345 4.685 4.340 -0.000 0.000 0.214 485 L C 0.811 177.682 176.870 0.002 0.000 1.115 485 L CA 0.389 55.234 54.840 0.009 0.000 0.820 485 L CB -0.310 41.740 42.059 -0.015 0.000 0.944 485 L HN -0.106 nan 8.230 nan 0.000 0.452 486 K N 1.807 122.177 120.400 -0.050 0.000 2.278 486 K HA 0.117 4.437 4.320 -0.000 0.000 0.289 486 K C -0.882 175.664 176.600 -0.090 0.000 1.080 486 K CA -0.448 55.752 56.287 -0.146 0.000 0.934 486 K CB 0.043 32.447 32.500 -0.160 0.000 1.093 486 K HN 0.301 nan 8.250 nan 0.000 0.459 487 Y N 0.882 121.154 120.300 -0.046 0.000 2.323 487 Y HA 0.448 4.998 4.550 -0.000 0.000 0.331 487 Y C -0.256 175.628 175.900 -0.028 0.000 1.092 487 Y CA -1.294 56.792 58.100 -0.024 0.000 1.150 487 Y CB 0.944 39.396 38.460 -0.015 0.000 1.200 487 Y HN 0.220 nan 8.280 nan 0.000 0.472 488 S N 5.193 121.012 115.700 0.198 0.000 2.580 488 S HA 0.178 4.648 4.470 -0.000 0.000 0.274 488 S C -1.981 172.842 174.600 0.372 0.000 1.329 488 S CA -1.083 57.201 58.200 0.141 0.000 1.036 488 S CB 0.617 63.898 63.200 0.134 0.000 0.919 488 S HN 0.664 nan 8.310 nan 0.000 0.515 489 P HA -0.005 nan 4.420 nan 0.000 0.278 489 P C -0.404 177.001 177.300 0.175 0.000 1.366 489 P CA 0.251 63.571 63.100 0.365 0.000 0.750 489 P CB -0.924 30.940 31.700 0.272 0.000 1.271 490 S N -0.320 115.470 115.700 0.151 0.000 3.405 490 S HA -0.209 4.261 4.470 -0.000 0.000 0.373 490 S C 0.205 174.838 174.600 0.055 0.000 0.939 490 S CA 0.970 59.218 58.200 0.080 0.000 1.295 490 S CB -2.079 61.139 63.200 0.031 0.000 0.919 490 S HN 0.615 nan 8.310 nan 0.000 0.535 491 N N -0.609 118.125 118.700 0.056 0.000 4.193 491 N HA 0.368 5.108 4.740 -0.000 0.000 0.161 491 N C -0.592 174.932 175.510 0.023 0.000 1.406 491 N CA 0.487 53.551 53.050 0.024 0.000 0.884 491 N CB 0.019 38.505 38.487 -0.002 0.000 1.738 491 N HN 0.450 nan 8.380 nan 0.000 0.780 492 V N 0.201 120.133 119.914 0.029 0.000 3.427 492 V HA 0.477 4.597 4.120 -0.000 0.000 0.317 492 V C 0.399 176.513 176.094 0.034 0.000 1.808 492 V CA -0.225 62.093 62.300 0.030 0.000 0.935 492 V CB 0.762 32.612 31.823 0.045 0.000 0.937 492 V HN 0.362 nan 8.190 nan 0.000 0.484 493 K N 0.344 120.769 120.400 0.042 0.000 2.435 493 K HA 0.400 4.720 4.320 -0.000 0.000 0.199 493 K C 0.686 177.316 176.600 0.050 0.000 1.153 493 K CA 0.064 56.375 56.287 0.040 0.000 0.974 493 K CB 1.270 33.791 32.500 0.035 0.000 0.997 493 K HN 0.697 nan 8.250 nan 0.000 0.547 494 I N 2.836 123.450 120.570 0.072 0.000 2.845 494 I HA -0.093 4.077 4.170 -0.000 0.000 0.296 494 I C -0.363 175.794 176.117 0.067 0.000 1.216 494 I CA 0.347 61.703 61.300 0.094 0.000 1.438 494 I CB 0.773 38.873 38.000 0.166 0.000 1.342 494 I HN 0.179 nan 8.210 nan 0.000 0.577 495 S N 4.292 120.006 115.700 0.023 0.000 2.562 495 S HA 0.089 4.559 4.470 -0.000 0.000 0.275 495 S C 0.800 175.338 174.600 -0.103 0.000 1.281 495 S CA -0.330 57.857 58.200 -0.022 0.000 1.045 495 S CB 1.149 64.330 63.200 -0.032 0.000 0.962 495 S HN 0.802 nan 8.310 nan 0.000 0.503 496 D N 2.448 122.799 120.400 -0.082 0.000 2.424 496 D HA -0.199 4.441 4.640 -0.000 0.000 0.221 496 D C 0.005 176.111 176.300 -0.324 0.000 0.978 496 D CA 0.777 54.703 54.000 -0.123 0.000 0.971 496 D CB -0.835 39.941 40.800 -0.038 0.000 0.869 496 D HN 0.349 nan 8.370 nan 0.000 0.506 497 N N 1.497 119.955 118.700 -0.403 0.000 2.348 497 N HA 0.010 4.750 4.740 -0.000 0.000 0.286 497 N C -1.956 173.133 175.510 -0.701 0.000 1.371 497 N CA -0.625 52.174 53.050 -0.419 0.000 0.966 497 N CB 0.615 38.941 38.487 -0.269 0.000 1.356 497 N HN 0.154 nan 8.380 nan 0.000 0.490 498 P HA -0.118 nan 4.420 nan 0.000 0.245 498 P C -0.180 177.210 177.300 0.151 0.000 1.203 498 P CA 1.041 64.132 63.100 -0.015 0.000 0.754 498 P CB 0.241 31.976 31.700 0.058 0.000 0.896 499 N N -3.981 114.748 118.700 0.049 0.000 1.900 499 N HA 0.002 4.742 4.740 -0.000 0.000 0.227 499 N C -0.345 175.294 175.510 0.215 0.000 1.411 499 N CA 0.333 53.499 53.050 0.193 0.000 0.780 499 N CB 0.155 38.715 38.487 0.121 0.000 1.082 499 N HN -0.003 nan 8.380 nan 0.000 0.505 500 T N 0.200 114.831 114.554 0.128 0.000 2.937 500 T HA -0.040 4.310 4.350 -0.000 0.000 0.316 500 T C 1.306 176.213 174.700 0.346 0.000 1.079 500 T CA -0.012 62.199 62.100 0.186 0.000 1.131 500 T CB 0.661 69.595 68.868 0.110 0.000 1.000 500 T HN 0.299 nan 8.240 nan 0.000 0.549 501 Y N 2.297 122.670 120.300 0.121 0.000 2.130 501 Y HA -0.133 4.417 4.550 -0.000 0.000 0.287 501 Y C 2.221 178.185 175.900 0.107 0.000 1.124 501 Y CA 1.587 59.748 58.100 0.102 0.000 1.118 501 Y CB -0.577 37.909 38.460 0.043 0.000 0.994 501 Y HN 0.725 nan 8.280 nan 0.000 0.497 502 D N -0.484 119.991 120.400 0.126 0.000 2.322 502 D HA -0.311 4.329 4.640 -0.000 0.000 0.210 502 D C 1.691 178.016 176.300 0.042 0.000 0.983 502 D CA 1.648 55.583 54.000 -0.110 0.000 0.902 502 D CB -0.802 40.063 40.800 0.108 0.000 0.905 502 D HN 0.621 nan 8.370 nan 0.000 0.483 503 Y N 0.822 121.126 120.300 0.007 0.000 2.144 503 Y HA 0.088 4.638 4.550 -0.000 0.000 0.279 503 Y C 1.951 177.856 175.900 0.010 0.000 1.099 503 Y CA 1.353 59.468 58.100 0.025 0.000 1.087 503 Y CB -0.489 38.004 38.460 0.055 0.000 1.007 503 Y HN -0.089 nan 8.280 nan 0.000 0.482 504 M N 1.112 120.699 119.600 -0.022 0.000 2.686 504 M HA -0.021 4.459 4.480 -0.000 0.000 0.246 504 M C 1.001 177.257 176.300 -0.073 0.000 1.096 504 M CA 1.102 56.325 55.300 -0.129 0.000 1.076 504 M CB -0.559 32.066 32.600 0.043 0.000 1.504 504 M HN 0.383 nan 8.290 nan 0.000 0.524 505 N N 0.349 118.970 118.700 -0.131 0.000 2.230 505 N HA 0.055 4.795 4.740 -0.000 0.000 0.202 505 N C 0.602 176.047 175.510 -0.109 0.000 1.119 505 N CA 0.397 53.296 53.050 -0.251 0.000 0.851 505 N CB 0.370 38.422 38.487 -0.726 0.000 0.990 505 N HN 0.227 nan 8.380 nan 0.000 0.497 506 K N -1.238 119.130 120.400 -0.052 0.000 2.600 506 K HA 0.213 4.533 4.320 -0.000 0.000 0.210 506 K C -0.261 176.288 176.600 -0.085 0.000 1.650 506 K CA -0.388 55.913 56.287 0.023 0.000 1.024 506 K CB 0.812 33.349 32.500 0.062 0.000 1.370 506 K HN -0.107 nan 8.250 nan 0.000 0.619 507 R N 2.865 123.230 120.500 -0.225 0.000 2.488 507 R HA 0.115 4.455 4.340 -0.000 0.000 0.306 507 R C -0.187 175.954 176.300 -0.265 0.000 1.271 507 R CA 0.169 56.076 56.100 -0.322 0.000 1.022 507 R CB -0.189 29.730 30.300 -0.635 0.000 1.054 507 R HN -0.092 nan 8.270 nan 0.000 0.500 508 V N 3.301 123.061 119.914 -0.257 0.000 3.441 508 V HA 0.280 4.400 4.120 -0.000 0.000 0.300 508 V C 0.619 176.304 176.094 -0.682 0.000 1.091 508 V CA -0.097 61.992 62.300 -0.353 0.000 1.099 508 V CB 1.497 33.165 31.823 -0.258 0.000 1.138 508 V HN 0.491 nan 8.190 nan 0.000 0.471 509 V N -0.176 119.334 119.914 -0.672 0.000 3.175 509 V HA 0.603 4.723 4.120 -0.000 0.000 0.264 509 V C -0.213 175.680 176.094 -0.336 0.000 1.816 509 V CA -0.483 61.394 62.300 -0.706 0.000 0.989 509 V CB 1.566 33.139 31.823 -0.416 0.000 1.332 509 V HN 1.691 nan 8.190 nan 0.000 0.466 510 A N 5.343 128.059 122.820 -0.172 0.000 2.611 510 A HA 0.208 4.528 4.320 -0.000 0.000 0.239 510 A C -1.569 175.944 177.584 -0.119 0.000 0.995 510 A CA 1.165 53.146 52.037 -0.094 0.000 0.813 510 A CB -0.237 18.726 19.000 -0.062 0.000 0.880 510 A HN 0.865 nan 8.150 nan 0.000 0.481 511 P HA 0.139 nan 4.420 nan 0.000 0.268 511 P C 0.818 178.143 177.300 0.041 0.000 1.248 511 P CA 1.054 64.173 63.100 0.033 0.000 0.851 511 P CB 0.415 32.253 31.700 0.229 0.000 1.238 512 G N 0.109 108.929 108.800 0.032 0.000 3.678 512 G HA2 0.285 4.245 3.960 -0.000 0.000 0.287 512 G HA3 0.285 4.245 3.960 -0.000 0.000 0.287 512 G C 0.621 175.637 174.900 0.192 0.000 1.280 512 G CA -0.003 45.164 45.100 0.112 0.000 1.118 512 G HN 0.140 nan 8.290 nan 0.000 0.563 513 L N -0.796 120.479 121.223 0.087 0.000 2.488 513 L HA 0.326 4.666 4.340 -0.000 0.000 0.186 513 L C 0.950 177.854 176.870 0.056 0.000 1.124 513 L CA 0.545 55.410 54.840 0.043 0.000 0.838 513 L CB 0.617 42.651 42.059 -0.042 0.000 1.107 513 L HN -0.020 nan 8.230 nan 0.000 0.494 514 V N 1.070 120.975 119.914 -0.014 0.000 2.218 514 V HA 0.228 4.348 4.120 -0.000 0.000 0.261 514 V C -0.768 175.353 176.094 0.044 0.000 1.142 514 V CA -0.207 62.083 62.300 -0.017 0.000 0.965 514 V CB 0.408 32.165 31.823 -0.110 0.000 1.190 514 V HN 0.216 nan 8.190 nan 0.000 0.478 515 D N 1.684 122.183 120.400 0.164 0.000 2.668 515 D HA 0.334 4.974 4.640 -0.000 0.000 0.249 515 D C -0.064 176.331 176.300 0.159 0.000 1.150 515 D CA -0.525 53.567 54.000 0.154 0.000 1.090 515 D CB 2.072 42.925 40.800 0.088 0.000 1.244 515 D HN 0.344 nan 8.370 nan 0.000 0.636 516 C N 2.519 121.886 119.300 0.113 0.000 2.582 516 C HA 0.530 4.990 4.460 -0.000 0.000 0.477 516 C C -1.412 173.721 174.990 0.240 0.000 1.221 516 C CA -0.342 58.736 59.018 0.100 0.000 1.572 516 C CB -2.594 25.200 27.740 0.089 0.000 1.866 516 C HN 0.303 nan 8.230 nan 0.000 0.594 517 Y N 1.020 121.305 120.300 -0.025 0.000 2.262 517 Y HA 0.696 5.246 4.550 -0.000 0.000 0.317 517 Y C -1.149 174.728 175.900 -0.038 0.000 1.230 517 Y CA -2.610 55.473 58.100 -0.029 0.000 1.166 517 Y CB -0.615 37.829 38.460 -0.026 0.000 1.254 517 Y HN 0.416 nan 8.280 nan 0.000 0.405 518 I N 5.523 126.020 120.570 -0.123 0.000 2.252 518 I HA 0.039 4.209 4.170 -0.000 0.000 0.316 518 I C 0.003 176.006 176.117 -0.190 0.000 2.793 518 I CA 0.844 62.015 61.300 -0.215 0.000 1.079 518 I CB 0.158 37.973 38.000 -0.308 0.000 2.356 518 I HN 1.180 nan 8.210 nan 0.000 0.655 519 N N 4.991 123.566 118.700 -0.208 0.000 2.955 519 N HA -0.237 4.503 4.740 -0.000 0.000 0.230 519 N C -0.292 175.130 175.510 -0.147 0.000 0.891 519 N CA 1.396 54.292 53.050 -0.257 0.000 1.002 519 N CB -0.904 37.299 38.487 -0.474 0.000 1.063 519 N HN 0.602 nan 8.380 nan 0.000 0.601 520 L N 0.993 122.176 121.223 -0.067 0.000 2.640 520 L HA 0.101 4.441 4.340 -0.000 0.000 0.300 520 L C 1.719 178.597 176.870 0.014 0.000 1.259 520 L CA 2.244 57.092 54.840 0.013 0.000 0.879 520 L CB -0.043 42.058 42.059 0.070 0.000 1.125 520 L HN 0.589 nan 8.230 nan 0.000 0.507 521 G N 2.063 110.899 108.800 0.060 0.000 2.227 521 G HA2 0.143 4.103 3.960 -0.000 0.000 0.168 521 G HA3 0.143 4.103 3.960 -0.000 0.000 0.168 521 G C -0.164 174.788 174.900 0.087 0.000 1.006 521 G CA -0.180 44.957 45.100 0.062 0.000 0.684 521 G HN 1.346 nan 8.290 nan 0.000 0.489 522 A N 0.281 123.167 122.820 0.110 0.000 2.518 522 A HA 0.699 5.019 4.320 -0.000 0.000 0.295 522 A C 0.096 177.817 177.584 0.229 0.000 1.052 522 A CA -0.448 51.700 52.037 0.185 0.000 0.824 522 A CB 0.793 19.951 19.000 0.263 0.000 1.325 522 A HN 0.567 nan 8.150 nan 0.000 0.394 523 R N 1.171 121.781 120.500 0.184 0.000 2.802 523 R HA 0.191 4.531 4.340 -0.000 0.000 0.264 523 R C -0.674 175.783 176.300 0.261 0.000 0.996 523 R CA 0.562 56.747 56.100 0.142 0.000 1.123 523 R CB 0.478 30.816 30.300 0.062 0.000 0.996 523 R HN 0.753 nan 8.270 nan 0.000 0.444 524 W N 0.402 121.656 121.300 -0.077 0.000 4.294 524 W HA -0.024 4.636 4.660 -0.000 0.000 0.266 524 W C -0.945 175.508 176.519 -0.111 0.000 1.296 524 W CA -0.526 56.767 57.345 -0.087 0.000 1.302 524 W CB 1.205 30.619 29.460 -0.077 0.000 1.188 524 W HN 0.670 nan 8.180 nan 0.000 0.519 525 S N 5.551 121.194 115.700 -0.095 0.000 2.484 525 S HA 0.426 4.896 4.470 -0.000 0.000 0.242 525 S C 0.430 175.025 174.600 -0.008 0.000 1.158 525 S CA -0.051 58.117 58.200 -0.055 0.000 1.162 525 S CB -0.061 63.043 63.200 -0.160 0.000 0.850 525 S HN 0.535 nan 8.310 nan 0.000 0.477 526 L N 0.078 121.466 121.223 0.275 0.000 3.132 526 L HA -0.250 4.090 4.340 -0.000 0.000 0.337 526 L C -0.240 176.651 176.870 0.034 0.000 1.073 526 L CA 1.430 56.412 54.840 0.236 0.000 1.228 526 L CB -0.541 41.544 42.059 0.044 0.000 1.124 526 L HN 0.528 nan 8.230 nan 0.000 0.475 527 D N -2.141 118.151 120.400 -0.180 0.000 2.454 527 D HA 0.106 4.746 4.640 -0.000 0.000 0.219 527 D C 0.998 177.145 176.300 -0.256 0.000 1.081 527 D CA 0.941 54.755 54.000 -0.309 0.000 0.867 527 D CB 0.036 40.553 40.800 -0.473 0.000 1.054 527 D HN 0.514 nan 8.370 nan 0.000 0.500 528 Y N -0.450 119.857 120.300 0.012 0.000 2.462 528 Y HA 0.371 4.921 4.550 -0.000 0.000 0.253 528 Y C 1.189 177.087 175.900 -0.002 0.000 1.095 528 Y CA -0.447 57.650 58.100 -0.004 0.000 1.283 528 Y CB 0.092 38.559 38.460 0.011 0.000 1.138 528 Y HN -0.093 nan 8.280 nan 0.000 0.522 529 M N 1.087 120.740 119.600 0.089 0.000 3.242 529 M HA 0.219 4.699 4.480 -0.000 0.000 0.250 529 M C -0.447 175.858 176.300 0.009 0.000 1.239 529 M CA -0.258 55.077 55.300 0.059 0.000 1.205 529 M CB -0.870 31.756 32.600 0.043 0.000 1.189 529 M HN 0.095 nan 8.290 nan 0.000 0.531 530 D N -1.100 119.304 120.400 0.008 0.000 2.559 530 D HA 0.195 4.835 4.640 -0.000 0.000 0.296 530 D C 0.839 177.208 176.300 0.114 0.000 1.118 530 D CA 0.375 54.368 54.000 -0.011 0.000 0.967 530 D CB 0.311 40.950 40.800 -0.269 0.000 1.607 530 D HN 0.399 nan 8.370 nan 0.000 0.493 531 N N 0.400 119.141 118.700 0.068 0.000 2.659 531 N HA -0.084 4.656 4.740 -0.000 0.000 0.194 531 N C 0.301 176.002 175.510 0.318 0.000 1.140 531 N CA 0.244 53.384 53.050 0.150 0.000 0.936 531 N CB 0.733 39.283 38.487 0.105 0.000 0.970 531 N HN 0.048 nan 8.380 nan 0.000 0.449 532 V N -0.032 120.051 119.914 0.282 0.000 3.229 532 V HA 0.179 4.299 4.120 -0.000 0.000 0.310 532 V C 0.224 176.420 176.094 0.171 0.000 1.206 532 V CA -1.094 61.319 62.300 0.189 0.000 1.051 532 V CB 1.627 33.513 31.823 0.106 0.000 1.183 532 V HN 0.051 nan 8.190 nan 0.000 0.466 533 N N 1.892 120.568 118.700 -0.040 0.000 2.406 533 N HA 0.259 4.999 4.740 -0.000 0.000 0.251 533 N C -2.028 173.439 175.510 -0.072 0.000 1.069 533 N CA -1.119 51.876 53.050 -0.092 0.000 0.947 533 N CB 1.898 40.317 38.487 -0.113 0.000 1.111 533 N HN 0.398 nan 8.380 nan 0.000 0.497 534 P HA 0.018 nan 4.420 nan 0.000 0.229 534 P C 0.200 177.156 177.300 -0.573 0.000 1.160 534 P CA 0.872 63.666 63.100 -0.510 0.000 0.777 534 P CB 0.076 31.434 31.700 -0.569 0.000 0.814 535 F N -1.045 118.860 119.950 -0.076 0.000 2.713 535 F HA 0.242 4.769 4.527 -0.000 0.000 0.294 535 F C 0.607 176.379 175.800 -0.047 0.000 1.152 535 F CA -0.006 57.962 58.000 -0.054 0.000 1.385 535 F CB -0.706 38.252 39.000 -0.070 0.000 0.981 535 F HN -0.189 nan 8.300 nan 0.000 0.514 536 N N -0.301 118.425 118.700 0.044 0.000 2.644 536 N HA 0.173 4.913 4.740 -0.000 0.000 0.313 536 N C -0.235 175.323 175.510 0.080 0.000 1.863 536 N CA -0.045 53.008 53.050 0.005 0.000 0.918 536 N CB 0.143 38.628 38.487 -0.004 0.000 1.320 536 N HN 0.340 nan 8.380 nan 0.000 0.490 537 H N -1.257 117.789 119.070 -0.040 0.000 3.917 537 H HA 0.360 4.915 4.556 -0.000 0.000 0.340 537 H C 0.217 175.449 175.328 -0.161 0.000 1.557 537 H CA -0.339 55.685 56.048 -0.041 0.000 1.383 537 H CB 1.310 31.000 29.762 -0.120 0.000 0.899 537 H HN 0.426 nan 8.280 nan 0.000 0.779 538 H N -2.222 116.733 119.070 -0.192 0.000 2.423 538 H HA 0.067 4.623 4.556 -0.000 0.000 0.162 538 H C 1.166 176.363 175.328 -0.218 0.000 1.008 538 H CA -0.055 55.694 56.048 -0.499 0.000 0.723 538 H CB -0.090 28.938 29.762 -1.223 0.000 0.681 538 H HN 0.165 nan 8.280 nan 0.000 0.481 539 R N 2.475 122.784 120.500 -0.319 0.000 2.323 539 R HA 0.144 4.484 4.340 -0.000 0.000 0.198 539 R C -0.970 175.285 176.300 -0.075 0.000 0.988 539 R CA 0.072 56.069 56.100 -0.171 0.000 1.041 539 R CB -1.199 28.933 30.300 -0.281 0.000 0.926 539 R HN 0.446 nan 8.270 nan 0.000 0.476 540 N N 1.002 119.668 118.700 -0.057 0.000 2.347 540 N HA -0.040 4.700 4.740 -0.000 0.000 0.278 540 N C -0.375 175.071 175.510 -0.107 0.000 1.367 540 N CA 0.560 53.565 53.050 -0.076 0.000 0.898 540 N CB 0.786 39.224 38.487 -0.082 0.000 1.203 540 N HN 0.278 nan 8.380 nan 0.000 0.491 541 A N 2.982 125.745 122.820 -0.096 0.000 3.196 541 A HA 0.308 4.628 4.320 -0.000 0.000 0.275 541 A C 1.452 178.918 177.584 -0.196 0.000 2.036 541 A CA 0.457 52.432 52.037 -0.104 0.000 1.503 541 A CB -1.047 17.941 19.000 -0.020 0.000 0.918 541 A HN 0.913 nan 8.150 nan 0.000 0.599 542 G N -0.789 107.807 108.800 -0.341 0.000 3.732 542 G HA2 0.061 4.021 3.960 -0.000 0.000 0.220 542 G HA3 0.061 4.021 3.960 -0.000 0.000 0.220 542 G C 0.287 175.024 174.900 -0.271 0.000 0.903 542 G CA 0.350 45.155 45.100 -0.492 0.000 0.896 542 G HN 1.131 nan 8.290 nan 0.000 0.685 543 L N 0.736 121.880 121.223 -0.132 0.000 3.039 543 L HA 0.495 4.835 4.340 -0.000 0.000 0.269 543 L C 2.099 179.038 176.870 0.115 0.000 1.169 543 L CA 1.160 56.026 54.840 0.043 0.000 0.986 543 L CB -0.109 41.976 42.059 0.044 0.000 1.377 543 L HN 0.211 nan 8.230 nan 0.000 0.575 544 R N -0.004 120.525 120.500 0.048 0.000 2.276 544 R HA -0.015 4.325 4.340 -0.000 0.000 0.196 544 R C 0.465 176.908 176.300 0.238 0.000 0.961 544 R CA 1.017 57.206 56.100 0.147 0.000 1.024 544 R CB -0.633 29.718 30.300 0.086 0.000 0.940 544 R HN 0.671 nan 8.270 nan 0.000 0.480 545 Y N -1.227 119.134 120.300 0.102 0.000 2.833 545 Y HA 0.521 5.071 4.550 -0.000 0.000 0.339 545 Y C 0.747 176.697 175.900 0.084 0.000 1.032 545 Y CA -1.359 56.786 58.100 0.075 0.000 1.450 545 Y CB 0.387 38.865 38.460 0.031 0.000 1.296 545 Y HN -0.155 nan 8.280 nan 0.000 0.535 546 R N -0.048 120.665 120.500 0.356 0.000 2.049 546 R HA 0.107 4.447 4.340 -0.000 0.000 0.202 546 R C 2.362 178.781 176.300 0.199 0.000 1.306 546 R CA 1.155 57.417 56.100 0.270 0.000 1.107 546 R CB -0.498 29.976 30.300 0.290 0.000 0.996 546 R HN 0.235 nan 8.270 nan 0.000 0.469 547 S N 0.981 116.807 115.700 0.209 0.000 2.354 547 S HA -0.180 4.290 4.470 -0.000 0.000 0.219 547 S C 1.796 176.505 174.600 0.182 0.000 1.035 547 S CA 2.107 60.421 58.200 0.189 0.000 1.037 547 S CB -0.262 63.092 63.200 0.256 0.000 0.956 547 S HN 0.336 nan 8.310 nan 0.000 0.428 548 M N 0.447 120.159 119.600 0.187 0.000 2.604 548 M HA -0.096 4.384 4.480 -0.000 0.000 0.256 548 M C 0.648 177.011 176.300 0.106 0.000 1.078 548 M CA 1.095 56.486 55.300 0.152 0.000 1.037 548 M CB -0.515 32.161 32.600 0.128 0.000 1.376 548 M HN 0.145 nan 8.290 nan 0.000 0.485 549 L N 0.094 121.371 121.223 0.090 0.000 2.693 549 L HA 0.321 4.661 4.340 -0.000 0.000 0.235 549 L C 0.812 177.711 176.870 0.048 0.000 1.127 549 L CA 0.441 55.312 54.840 0.052 0.000 0.914 549 L CB -0.236 41.837 42.059 0.023 0.000 1.193 549 L HN 0.410 nan 8.230 nan 0.000 0.502 550 L N -0.041 121.218 121.223 0.060 0.000 2.865 550 L HA 0.301 4.641 4.340 -0.000 0.000 0.233 550 L C 1.521 178.411 176.870 0.033 0.000 1.320 550 L CA 0.082 54.929 54.840 0.012 0.000 1.225 550 L CB -0.705 41.329 42.059 -0.042 0.000 1.542 550 L HN 0.441 nan 8.230 nan 0.000 0.432 551 G N 1.782 110.613 108.800 0.052 0.000 2.793 551 G HA2 -0.455 3.505 3.960 -0.000 0.000 0.334 551 G HA3 -0.455 3.505 3.960 -0.000 0.000 0.334 551 G C 0.703 175.676 174.900 0.121 0.000 1.186 551 G CA 1.269 46.411 45.100 0.070 0.000 0.960 551 G HN 0.612 nan 8.290 nan 0.000 0.562 552 N N -1.523 117.275 118.700 0.163 0.000 2.149 552 N HA 0.390 5.130 4.740 -0.000 0.000 0.311 552 N C 0.212 175.949 175.510 0.377 0.000 1.063 552 N CA 1.196 54.415 53.050 0.282 0.000 0.690 552 N CB 0.771 39.372 38.487 0.191 0.000 1.958 552 N HN 1.253 nan 8.380 nan 0.000 0.766 553 G N -0.364 108.539 108.800 0.173 0.000 2.623 553 G HA2 0.480 4.440 3.960 -0.000 0.000 0.290 553 G HA3 0.480 4.440 3.960 -0.000 0.000 0.290 553 G C -0.285 174.615 174.900 0.000 0.000 1.437 553 G CA -0.566 44.599 45.100 0.108 0.000 0.798 553 G HN 0.063 nan 8.290 nan 0.000 0.488 554 R N -1.012 119.467 120.500 -0.035 0.000 3.028 554 R HA -0.294 4.046 4.340 -0.000 0.000 0.677 554 R C 1.286 177.558 176.300 -0.047 0.000 0.418 554 R CA 2.413 58.467 56.100 -0.076 0.000 1.668 554 R CB -1.264 29.025 30.300 -0.018 0.000 0.613 554 R HN 0.565 nan 8.270 nan 0.000 0.556 555 Y N 0.633 120.917 120.300 -0.027 0.000 3.155 555 Y HA -0.059 4.491 4.550 -0.000 0.000 0.339 555 Y C 0.016 175.905 175.900 -0.018 0.000 1.141 555 Y CA 0.119 58.206 58.100 -0.022 0.000 1.477 555 Y CB -1.044 37.408 38.460 -0.013 0.000 1.469 555 Y HN 0.043 nan 8.280 nan 0.000 0.498 556 V N 0.285 120.246 119.914 0.079 0.000 2.390 556 V HA 0.103 4.223 4.120 -0.000 0.000 0.260 556 V C -2.144 174.001 176.094 0.085 0.000 1.043 556 V CA -2.545 59.798 62.300 0.073 0.000 1.047 556 V CB -0.270 31.575 31.823 0.037 0.000 1.066 556 V HN 0.060 nan 8.190 nan 0.000 0.481 557 P HA 0.162 nan 4.420 nan 0.000 0.262 557 P C -0.593 176.737 177.300 0.051 0.000 1.199 557 P CA 0.371 63.458 63.100 -0.022 0.000 0.763 557 P CB -0.007 31.686 31.700 -0.012 0.000 0.790 558 F N 2.351 122.283 119.950 -0.029 0.000 2.561 558 F HA 0.825 5.352 4.527 -0.000 0.000 0.321 558 F C -0.639 175.186 175.800 0.042 0.000 1.065 558 F CA -1.045 56.940 58.000 -0.025 0.000 0.934 558 F CB 1.688 40.624 39.000 -0.107 0.000 1.215 558 F HN 0.382 nan 8.300 nan 0.000 0.471 559 H N 2.874 122.119 119.070 0.292 0.000 3.037 559 H HA 0.689 5.245 4.556 -0.000 0.000 0.336 559 H C -1.825 173.558 175.328 0.092 0.000 1.323 559 H CA -0.332 55.829 56.048 0.188 0.000 1.159 559 H CB 2.231 32.054 29.762 0.103 0.000 1.882 559 H HN 1.074 nan 8.280 nan 0.000 0.535 560 I N 0.016 119.896 120.570 -1.149 0.000 3.480 560 I HA 0.536 4.706 4.170 -0.000 0.000 0.317 560 I C -1.852 173.982 176.117 -0.472 0.000 1.262 560 I CA -0.861 60.022 61.300 -0.696 0.000 1.007 560 I CB 1.657 39.434 38.000 -0.372 0.000 1.293 560 I HN 0.446 nan 8.210 nan 0.000 0.451 561 Q N 0.656 120.420 119.800 -0.059 0.000 2.285 561 Q HA 0.892 5.232 4.340 -0.000 0.000 0.269 561 Q C -1.409 174.826 176.000 0.392 0.000 1.030 561 Q CA -0.613 55.249 55.803 0.098 0.000 0.788 561 Q CB 2.855 31.293 28.738 -0.501 0.000 1.266 561 Q HN 0.633 nan 8.270 nan 0.000 0.438 562 V N 3.308 123.576 119.914 0.589 0.000 3.108 562 V HA 0.545 4.665 4.120 -0.000 0.000 0.287 562 V C -2.423 173.855 176.094 0.307 0.000 1.436 562 V CA -1.260 61.408 62.300 0.613 0.000 1.001 562 V CB 2.900 34.936 31.823 0.354 0.000 1.141 562 V HN 0.643 nan 8.190 nan 0.000 0.443 563 P HA 0.447 nan 4.420 nan 0.000 0.270 563 P C -1.056 176.029 177.300 -0.358 0.000 1.284 563 P CA 0.332 63.421 63.100 -0.018 0.000 0.780 563 P CB 0.889 32.688 31.700 0.164 0.000 1.892 564 Q N -2.646 117.039 119.800 -0.192 0.000 2.944 564 Q HA 0.517 4.857 4.340 -0.000 0.000 0.328 564 Q C -1.641 174.239 176.000 -0.199 0.000 0.810 564 Q CA -0.987 54.705 55.803 -0.185 0.000 0.847 564 Q CB 0.626 29.282 28.738 -0.138 0.000 1.408 564 Q HN -0.088 nan 8.270 nan 0.000 0.484 565 K N -0.482 119.762 120.400 -0.261 0.000 2.444 565 K HA 0.865 5.185 4.320 -0.000 0.000 0.252 565 K C -1.668 174.827 176.600 -0.175 0.000 0.993 565 K CA -0.658 55.454 56.287 -0.291 0.000 0.847 565 K CB 1.977 34.241 32.500 -0.393 0.000 1.340 565 K HN 0.509 nan 8.250 nan 0.000 0.446 566 F N 0.014 119.778 119.950 -0.310 0.000 3.174 566 F HA 0.129 4.656 4.527 -0.000 0.000 0.333 566 F C -1.262 174.462 175.800 -0.127 0.000 1.090 566 F CA -1.014 56.814 58.000 -0.287 0.000 0.853 566 F CB 0.543 39.360 39.000 -0.305 0.000 1.463 566 F HN 0.514 nan 8.300 nan 0.000 0.451 567 F N 0.917 120.465 119.950 -0.670 0.000 2.654 567 F HA 0.826 5.353 4.527 -0.000 0.000 0.303 567 F C 0.129 175.897 175.800 -0.054 0.000 1.099 567 F CA 0.325 58.132 58.000 -0.322 0.000 1.270 567 F CB 0.608 39.403 39.000 -0.341 0.000 1.024 567 F HN 0.636 nan 8.300 nan 0.000 0.548 568 A N 1.377 124.331 122.820 0.224 0.000 3.306 568 A HA 0.553 4.873 4.320 -0.000 0.000 0.236 568 A C -0.195 177.463 177.584 0.122 0.000 1.182 568 A CA 0.015 52.242 52.037 0.318 0.000 1.024 568 A CB -0.963 18.277 19.000 0.400 0.000 1.384 568 A HN 0.654 nan 8.150 nan 0.000 0.751 569 I N -3.231 117.275 120.570 -0.106 0.000 4.272 569 I HA 0.280 4.450 4.170 -0.000 0.000 0.283 569 I C 1.363 177.304 176.117 -0.293 0.000 1.104 569 I CA 0.263 61.418 61.300 -0.241 0.000 1.336 569 I CB -0.487 37.429 38.000 -0.141 0.000 1.833 569 I HN 0.051 nan 8.210 nan 0.000 0.429 570 K N 2.528 122.851 120.400 -0.129 0.000 2.184 570 K HA -0.330 3.990 4.320 -0.000 0.000 0.216 570 K C 0.950 177.521 176.600 -0.048 0.000 0.756 570 K CA 3.097 59.352 56.287 -0.054 0.000 0.992 570 K CB -1.346 31.190 32.500 0.060 0.000 0.669 570 K HN 0.606 nan 8.250 nan 0.000 0.758 571 N N 0.736 119.459 118.700 0.038 0.000 2.383 571 N HA 0.149 4.889 4.740 -0.000 0.000 0.192 571 N C 0.428 175.930 175.510 -0.013 0.000 1.141 571 N CA -0.125 52.973 53.050 0.079 0.000 0.851 571 N CB 0.018 38.649 38.487 0.239 0.000 0.976 571 N HN 0.091 nan 8.380 nan 0.000 0.465 572 L N -0.103 120.989 121.223 -0.217 0.000 2.257 572 L HA -0.061 4.279 4.340 -0.000 0.000 0.208 572 L C 0.357 177.168 176.870 -0.098 0.000 1.157 572 L CA 0.475 55.182 54.840 -0.222 0.000 0.836 572 L CB 0.134 41.997 42.059 -0.326 0.000 1.175 572 L HN 0.117 nan 8.230 nan 0.000 0.589 573 L N -2.147 119.024 121.223 -0.087 0.000 2.643 573 L HA 0.647 4.987 4.340 -0.000 0.000 0.256 573 L C -1.271 175.577 176.870 -0.037 0.000 0.828 573 L CA -0.626 54.182 54.840 -0.054 0.000 1.186 573 L CB 0.066 42.118 42.059 -0.011 0.000 1.621 573 L HN 0.345 nan 8.230 nan 0.000 0.368 574 L N -0.723 120.509 121.223 0.014 0.000 2.892 574 L HA 0.808 5.148 4.340 -0.000 0.000 0.269 574 L C -2.057 174.880 176.870 0.112 0.000 1.058 574 L CA -0.262 54.616 54.840 0.063 0.000 0.923 574 L CB 2.075 44.197 42.059 0.106 0.000 1.518 574 L HN 0.542 nan 8.230 nan 0.000 0.402 575 L N 0.933 122.247 121.223 0.152 0.000 2.341 575 L HA 0.564 4.904 4.340 -0.000 0.000 0.254 575 L C -2.263 174.707 176.870 0.167 0.000 1.040 575 L CA -1.969 52.956 54.840 0.142 0.000 0.837 575 L CB 2.908 45.036 42.059 0.115 0.000 1.425 575 L HN 0.424 nan 8.230 nan 0.000 0.414 576 P HA -0.035 nan 4.420 nan 0.000 0.197 576 P C -0.352 176.978 177.300 0.051 0.000 1.121 576 P CA 0.529 63.669 63.100 0.067 0.000 1.318 576 P CB -0.360 31.363 31.700 0.038 0.000 1.634 577 G N 0.529 109.343 108.800 0.022 0.000 3.262 577 G HA2 0.651 4.611 3.960 -0.000 0.000 0.229 577 G HA3 0.651 4.611 3.960 -0.000 0.000 0.229 577 G C -1.171 173.423 174.900 -0.510 0.000 1.280 577 G CA -0.628 44.320 45.100 -0.252 0.000 0.951 577 G HN 0.202 nan 8.290 nan 0.000 0.589 578 S N -0.729 114.270 115.700 -1.168 0.000 2.609 578 S HA 0.685 5.155 4.470 -0.000 0.000 0.250 578 S C -1.274 172.777 174.600 -0.915 0.000 1.112 578 S CA -0.733 57.031 58.200 -0.727 0.000 1.102 578 S CB 0.134 63.113 63.200 -0.367 0.000 1.124 578 S HN 0.634 nan 8.310 nan 0.000 0.460 579 Y N 1.083 121.424 120.300 0.068 0.000 3.286 579 Y HA 0.828 5.378 4.550 -0.000 0.000 0.270 579 Y C 0.687 176.645 175.900 0.097 0.000 2.084 579 Y CA -1.019 57.122 58.100 0.068 0.000 1.003 579 Y CB 0.616 39.110 38.460 0.057 0.000 1.695 579 Y HN 0.632 nan 8.280 nan 0.000 0.495 580 T N -2.314 112.421 114.554 0.303 0.000 2.612 580 T HA 0.544 4.894 4.350 -0.000 0.000 0.296 580 T C -2.064 172.831 174.700 0.325 0.000 1.148 580 T CA -1.054 61.202 62.100 0.261 0.000 1.077 580 T CB 1.878 70.860 68.868 0.191 0.000 1.591 580 T HN 0.610 nan 8.240 nan 0.000 0.479 581 Y N -0.984 119.446 120.300 0.217 0.000 2.765 581 Y HA 0.537 5.087 4.550 -0.000 0.000 0.350 581 Y C -0.444 175.660 175.900 0.339 0.000 1.196 581 Y CA -0.458 57.804 58.100 0.271 0.000 1.119 581 Y CB 1.522 40.136 38.460 0.258 0.000 1.368 581 Y HN 1.038 nan 8.280 nan 0.000 0.463 582 E N 1.240 121.852 120.200 0.686 0.000 2.159 582 E HA 0.100 4.450 4.350 -0.000 0.000 0.122 582 E C -1.614 175.416 176.600 0.716 0.000 2.220 582 E CA 0.129 56.894 56.400 0.608 0.000 1.302 582 E CB 0.685 30.547 29.700 0.269 0.000 1.260 582 E HN 0.621 nan 8.360 nan 0.000 0.848 583 W N 0.873 122.309 121.300 0.227 0.000 3.078 583 W HA -0.112 4.548 4.660 -0.000 0.000 0.403 583 W C -1.597 174.961 176.519 0.066 0.000 1.276 583 W CA 0.070 57.513 57.345 0.163 0.000 0.459 583 W CB -0.944 28.638 29.460 0.204 0.000 2.859 583 W HN 0.530 nan 8.180 nan 0.000 0.416 584 N N 3.254 122.026 118.700 0.121 0.000 2.473 584 N HA 0.675 5.415 4.740 -0.000 0.000 0.291 584 N C -0.701 174.986 175.510 0.294 0.000 1.083 584 N CA 0.032 53.068 53.050 -0.024 0.000 0.951 584 N CB 0.265 38.784 38.487 0.053 0.000 1.164 584 N HN 0.190 nan 8.380 nan 0.000 0.480 585 F N -0.005 120.070 119.950 0.209 0.000 2.771 585 F HA 0.449 4.976 4.527 -0.000 0.000 0.365 585 F C 0.864 176.582 175.800 -0.136 0.000 1.169 585 F CA -1.383 56.598 58.000 -0.032 0.000 1.093 585 F CB 0.501 39.508 39.000 0.011 0.000 1.363 585 F HN 0.289 nan 8.300 nan 0.000 0.496 586 R N 1.334 121.553 120.500 -0.468 0.000 2.906 586 R HA -0.033 4.307 4.340 -0.000 0.000 0.284 586 R C -0.220 176.063 176.300 -0.028 0.000 0.964 586 R CA 0.287 56.208 56.100 -0.298 0.000 1.151 586 R CB 0.327 30.250 30.300 -0.627 0.000 1.082 586 R HN 0.816 nan 8.270 nan 0.000 0.473 587 K N -0.594 119.819 120.400 0.023 0.000 2.625 587 K HA 0.031 4.351 4.320 -0.000 0.000 0.190 587 K C -1.059 175.531 176.600 -0.016 0.000 1.174 587 K CA 0.135 56.474 56.287 0.087 0.000 1.103 587 K CB 0.390 32.971 32.500 0.134 0.000 0.900 587 K HN 0.731 nan 8.250 nan 0.000 0.540 588 D N 1.470 121.694 120.400 -0.294 0.000 2.363 588 D HA -0.045 4.595 4.640 -0.000 0.000 0.263 588 D C 1.241 177.404 176.300 -0.229 0.000 1.258 588 D CA -0.076 53.470 54.000 -0.757 0.000 0.907 588 D CB 1.341 41.412 40.800 -1.214 0.000 1.107 588 D HN 0.003 nan 8.370 nan 0.000 0.495 589 V N 1.981 121.885 119.914 -0.016 0.000 2.688 589 V HA -0.287 3.833 4.120 -0.000 0.000 0.256 589 V C 1.535 177.614 176.094 -0.025 0.000 1.084 589 V CA 1.113 63.422 62.300 0.015 0.000 1.103 589 V CB -1.132 30.727 31.823 0.060 0.000 0.688 589 V HN 0.347 nan 8.190 nan 0.000 0.480 590 N N 2.223 120.927 118.700 0.006 0.000 2.003 590 N HA -0.131 4.609 4.740 -0.000 0.000 0.178 590 N C 1.726 177.236 175.510 0.001 0.000 1.118 590 N CA 2.053 55.087 53.050 -0.027 0.000 0.942 590 N CB -0.725 37.811 38.487 0.081 0.000 1.015 590 N HN 0.591 nan 8.380 nan 0.000 0.435 591 M N 0.443 120.152 119.600 0.181 0.000 2.706 591 M HA 0.038 4.518 4.480 -0.000 0.000 0.251 591 M C 1.271 177.583 176.300 0.020 0.000 1.070 591 M CA 0.808 56.189 55.300 0.135 0.000 1.073 591 M CB -0.773 31.955 32.600 0.213 0.000 1.449 591 M HN 0.093 nan 8.290 nan 0.000 0.531 592 V N -1.267 118.634 119.914 -0.021 0.000 2.867 592 V HA 0.057 4.177 4.120 -0.000 0.000 0.260 592 V C 1.110 177.171 176.094 -0.055 0.000 1.099 592 V CA 0.931 63.210 62.300 -0.035 0.000 1.122 592 V CB -1.124 30.672 31.823 -0.046 0.000 0.708 592 V HN 0.619 nan 8.190 nan 0.000 0.490 593 L N -1.311 119.846 121.223 -0.110 0.000 2.415 593 L HA 0.443 4.783 4.340 -0.000 0.000 0.256 593 L C 0.213 176.992 176.870 -0.152 0.000 1.010 593 L CA -0.738 53.982 54.840 -0.200 0.000 0.826 593 L CB 2.552 44.392 42.059 -0.365 0.000 1.405 593 L HN 0.104 nan 8.230 nan 0.000 0.410 594 Q N 0.195 119.912 119.800 -0.138 0.000 2.713 594 Q HA 0.340 4.680 4.340 -0.000 0.000 0.200 594 Q C -1.043 174.876 176.000 -0.135 0.000 1.194 594 Q CA 0.297 56.041 55.803 -0.098 0.000 1.240 594 Q CB 0.548 29.273 28.738 -0.022 0.000 1.902 594 Q HN 0.625 nan 8.270 nan 0.000 0.655 595 S N -1.918 113.729 115.700 -0.087 0.000 2.931 595 S HA -0.019 4.452 4.470 -0.000 0.000 0.276 595 S C -0.592 173.984 174.600 -0.041 0.000 0.709 595 S CA -0.376 57.780 58.200 -0.073 0.000 0.744 595 S CB 0.115 63.216 63.200 -0.164 0.000 0.942 595 S HN 0.478 nan 8.310 nan 0.000 0.570 596 S N 0.978 116.705 115.700 0.046 0.000 2.603 596 S HA 0.040 4.510 4.470 -0.000 0.000 0.229 596 S C 1.145 175.671 174.600 -0.124 0.000 0.972 596 S CA 1.275 59.457 58.200 -0.029 0.000 0.935 596 S CB -0.499 62.728 63.200 0.044 0.000 0.769 596 S HN 0.588 nan 8.310 nan 0.000 0.536 597 L N -3.992 117.202 121.223 -0.049 0.000 3.503 597 L HA 0.523 4.863 4.340 -0.000 0.000 0.327 597 L C 0.596 177.464 176.870 -0.003 0.000 1.108 597 L CA 0.327 55.188 54.840 0.036 0.000 1.214 597 L CB -1.195 40.921 42.059 0.095 0.000 1.806 597 L HN -0.047 nan 8.230 nan 0.000 0.610 598 G N 1.693 110.366 108.800 -0.213 0.000 2.547 598 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.226 598 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.226 598 G C -0.522 174.306 174.900 -0.119 0.000 0.871 598 G CA 0.507 45.391 45.100 -0.360 0.000 1.142 598 G HN 0.793 nan 8.290 nan 0.000 0.362 599 N N 0.958 119.586 118.700 -0.120 0.000 2.269 599 N HA 0.400 5.140 4.740 -0.000 0.000 0.304 599 N C 0.015 175.446 175.510 -0.132 0.000 1.072 599 N CA -1.007 51.998 53.050 -0.075 0.000 0.802 599 N CB 1.512 39.944 38.487 -0.091 0.000 1.348 599 N HN 0.310 nan 8.380 nan 0.000 0.484 600 D N 1.500 121.836 120.400 -0.107 0.000 2.243 600 D HA 0.073 4.713 4.640 -0.000 0.000 0.237 600 D C 0.124 176.364 176.300 -0.100 0.000 1.364 600 D CA 0.685 54.621 54.000 -0.106 0.000 0.927 600 D CB 0.684 41.438 40.800 -0.076 0.000 1.216 600 D HN 0.489 nan 8.370 nan 0.000 0.517 601 L N 0.874 122.058 121.223 -0.065 0.000 3.441 601 L HA 0.128 4.468 4.340 -0.000 0.000 0.363 601 L C 1.388 178.247 176.870 -0.018 0.000 1.333 601 L CA -0.112 54.690 54.840 -0.063 0.000 0.926 601 L CB 0.357 42.361 42.059 -0.091 0.000 1.304 601 L HN 0.223 nan 8.230 nan 0.000 0.596 602 R N -1.202 119.293 120.500 -0.008 0.000 2.175 602 R HA 0.178 4.518 4.340 -0.000 0.000 0.202 602 R C 1.598 177.887 176.300 -0.017 0.000 1.018 602 R CA 0.720 56.824 56.100 0.006 0.000 1.029 602 R CB 0.626 30.918 30.300 -0.013 0.000 0.959 602 R HN 0.184 nan 8.270 nan 0.000 0.480 603 V N 1.107 121.003 119.914 -0.030 0.000 2.300 603 V HA -0.119 4.001 4.120 -0.000 0.000 0.241 603 V C -0.048 176.026 176.094 -0.034 0.000 1.034 603 V CA 1.240 63.522 62.300 -0.030 0.000 1.021 603 V CB -0.292 31.513 31.823 -0.031 0.000 0.662 603 V HN 0.215 nan 8.190 nan 0.000 0.458 604 D N 1.119 121.488 120.400 -0.051 0.000 2.483 604 D HA 0.350 4.990 4.640 -0.000 0.000 0.261 604 D C 1.253 177.510 176.300 -0.070 0.000 1.318 604 D CA 1.194 55.152 54.000 -0.071 0.000 1.201 604 D CB -0.301 40.432 40.800 -0.111 0.000 1.127 604 D HN 0.429 nan 8.370 nan 0.000 0.519 605 G N 1.802 110.569 108.800 -0.056 0.000 3.548 605 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.224 605 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.224 605 G C 1.197 176.070 174.900 -0.045 0.000 1.351 605 G CA 1.423 46.484 45.100 -0.064 0.000 0.905 605 G HN 1.495 nan 8.290 nan 0.000 0.561 606 A N -1.664 121.134 122.820 -0.037 0.000 1.254 606 A HA -0.164 4.156 4.320 -0.000 0.000 0.239 606 A C 1.662 179.250 177.584 0.006 0.000 0.901 606 A CA 1.997 54.033 52.037 -0.003 0.000 1.095 606 A CB -1.904 17.099 19.000 0.004 0.000 1.471 606 A HN 2.423 nan 8.150 nan 0.000 0.723 607 S N 0.502 116.198 115.700 -0.007 0.000 2.546 607 S HA 0.426 4.896 4.470 -0.000 0.000 0.290 607 S C 0.116 174.688 174.600 -0.046 0.000 1.262 607 S CA 0.864 59.063 58.200 -0.002 0.000 1.083 607 S CB -0.218 62.975 63.200 -0.011 0.000 0.859 607 S HN 1.427 nan 8.310 nan 0.000 0.495 608 I N 6.204 126.783 120.570 0.015 0.000 2.901 608 I HA 0.210 4.380 4.170 -0.000 0.000 0.289 608 I C -0.382 175.748 176.117 0.022 0.000 1.553 608 I CA -0.810 60.474 61.300 -0.026 0.000 0.829 608 I CB 0.091 38.075 38.000 -0.026 0.000 1.840 608 I HN 0.498 nan 8.210 nan 0.000 0.606 609 K N 3.143 123.556 120.400 0.022 0.000 2.620 609 K HA -0.130 4.190 4.320 -0.000 0.000 0.276 609 K C -1.014 175.549 176.600 -0.062 0.000 0.978 609 K CA 0.954 57.277 56.287 0.059 0.000 1.032 609 K CB 0.104 32.608 32.500 0.007 0.000 0.832 609 K HN 0.441 nan 8.250 nan 0.000 0.496 610 F N 0.737 120.679 119.950 -0.013 0.000 2.931 610 F HA 0.105 4.632 4.527 -0.000 0.000 0.375 610 F C 0.819 176.615 175.800 -0.008 0.000 1.243 610 F CA -0.633 57.356 58.000 -0.020 0.000 1.206 610 F CB 1.026 40.159 39.000 0.222 0.000 1.643 610 F HN 0.496 nan 8.300 nan 0.000 0.593 611 D N 0.486 120.897 120.400 0.019 0.000 2.077 611 D HA -0.065 4.575 4.640 -0.000 0.000 0.193 611 D C 0.872 177.229 176.300 0.095 0.000 0.989 611 D CA 1.707 55.737 54.000 0.051 0.000 0.831 611 D CB 0.357 41.146 40.800 -0.018 0.000 0.979 611 D HN 0.298 nan 8.370 nan 0.000 0.449 612 S N -1.381 114.362 115.700 0.071 0.000 2.837 612 S HA 0.724 5.194 4.470 -0.000 0.000 0.314 612 S C -0.310 174.354 174.600 0.106 0.000 1.098 612 S CA -0.829 57.429 58.200 0.097 0.000 0.903 612 S CB 2.144 65.396 63.200 0.086 0.000 1.310 612 S HN 0.276 nan 8.310 nan 0.000 0.581 613 I N -1.500 119.137 120.570 0.113 0.000 3.033 613 I HA 0.695 4.865 4.170 -0.000 0.000 0.306 613 I C -1.860 174.351 176.117 0.157 0.000 1.473 613 I CA -0.336 61.030 61.300 0.111 0.000 0.951 613 I CB 1.401 39.425 38.000 0.040 0.000 1.338 613 I HN 0.833 nan 8.210 nan 0.000 0.518 614 C N 2.423 121.826 119.300 0.172 0.000 3.241 614 C HA 0.776 5.236 4.460 -0.000 0.000 0.354 614 C C -2.052 172.985 174.990 0.079 0.000 1.462 614 C CA -0.609 58.549 59.018 0.233 0.000 1.169 614 C CB 1.381 29.255 27.740 0.223 0.000 1.618 614 C HN 1.043 nan 8.230 nan 0.000 0.429 615 L N 1.580 122.698 121.223 -0.175 0.000 2.787 615 L HA 0.714 5.054 4.340 -0.000 0.000 0.260 615 L C -2.135 174.408 176.870 -0.545 0.000 0.921 615 L CA -0.257 54.086 54.840 -0.829 0.000 0.984 615 L CB 0.945 42.125 42.059 -1.465 0.000 1.519 615 L HN 0.695 nan 8.230 nan 0.000 0.452 616 Y N 2.958 122.705 120.300 -0.922 0.000 2.665 616 Y HA 0.991 5.541 4.550 -0.000 0.000 0.336 616 Y C 0.387 175.971 175.900 -0.526 0.000 1.085 616 Y CA -0.632 57.090 58.100 -0.629 0.000 1.096 616 Y CB 1.375 39.633 38.460 -0.336 0.000 1.301 616 Y HN 0.845 nan 8.280 nan 0.000 0.493 617 A N -0.233 122.477 122.820 -0.184 0.000 3.423 617 A HA 0.968 5.288 4.320 -0.000 0.000 0.226 617 A C -1.107 176.433 177.584 -0.073 0.000 1.055 617 A CA -0.556 51.375 52.037 -0.176 0.000 0.786 617 A CB 0.967 19.775 19.000 -0.319 0.000 1.400 617 A HN 0.655 nan 8.150 nan 0.000 0.673 618 T N -0.904 113.565 114.554 -0.142 0.000 2.956 618 T HA 0.660 5.010 4.350 -0.000 0.000 0.312 618 T C -1.039 173.571 174.700 -0.150 0.000 1.151 618 T CA -0.111 61.940 62.100 -0.082 0.000 1.024 618 T CB 1.124 69.953 68.868 -0.065 0.000 1.140 618 T HN 0.494 nan 8.240 nan 0.000 0.473 619 F N 0.349 120.270 119.950 -0.047 0.000 2.849 619 F HA 0.825 5.352 4.527 -0.000 0.000 0.341 619 F C -1.673 174.127 175.800 -0.001 0.000 1.185 619 F CA -1.331 56.669 58.000 0.000 0.000 1.007 619 F CB 1.899 40.909 39.000 0.017 0.000 1.454 619 F HN 0.513 nan 8.300 nan 0.000 0.518 620 F N 1.814 122.090 119.950 0.544 0.000 2.588 620 F HA 0.385 4.912 4.527 0.000 0.000 0.318 620 F C -2.422 173.434 175.800 0.094 0.000 1.155 620 F CA -2.835 55.306 58.000 0.235 0.000 0.967 620 F CB 1.761 40.893 39.000 0.221 0.000 1.236 620 F HN -0.030 nan 8.300 nan 0.000 0.455 621 P HA 0.060 nan 4.420 nan 0.000 0.228 621 P C 0.573 177.984 177.300 0.184 0.000 1.748 621 P CA 0.030 63.271 63.100 0.235 0.000 0.909 621 P CB -0.219 31.586 31.700 0.175 0.000 1.882 622 M N 1.142 120.821 119.600 0.133 0.000 2.207 622 M HA -0.035 4.445 4.480 -0.000 0.000 0.296 622 M C 0.342 176.704 176.300 0.102 0.000 1.012 622 M CA 0.470 55.778 55.300 0.013 0.000 1.088 622 M CB 0.328 32.929 32.600 0.003 0.000 1.407 622 M HN 0.147 nan 8.290 nan 0.000 0.425 623 A N 3.702 126.531 122.820 0.016 0.000 2.491 623 A HA 0.058 4.378 4.320 -0.000 0.000 0.261 623 A C 0.764 178.433 177.584 0.142 0.000 1.101 623 A CA 0.036 52.084 52.037 0.020 0.000 0.772 623 A CB -0.461 18.523 19.000 -0.026 0.000 1.043 623 A HN 1.021 nan 8.150 nan 0.000 0.501 624 H N 2.364 121.417 119.070 -0.029 0.000 2.428 624 H HA -0.135 4.421 4.556 -0.000 0.000 0.296 624 H C 1.610 176.925 175.328 -0.022 0.000 1.062 624 H CA 1.039 57.073 56.048 -0.024 0.000 1.350 624 H CB 0.214 29.965 29.762 -0.018 0.000 1.403 624 H HN 0.868 nan 8.280 nan 0.000 0.533 625 N N 1.066 119.823 118.700 0.095 0.000 2.091 625 N HA -0.147 4.593 4.740 -0.000 0.000 0.193 625 N C 1.445 176.970 175.510 0.024 0.000 1.021 625 N CA 2.085 55.158 53.050 0.040 0.000 0.862 625 N CB -0.623 37.868 38.487 0.007 0.000 1.018 625 N HN 0.368 nan 8.380 nan 0.000 0.429 626 T N -1.663 112.902 114.554 0.019 0.000 3.060 626 T HA 0.487 4.837 4.350 -0.000 0.000 0.249 626 T C 1.999 176.706 174.700 0.011 0.000 1.079 626 T CA 0.275 62.377 62.100 0.003 0.000 1.013 626 T CB 0.306 69.164 68.868 -0.017 0.000 0.975 626 T HN 0.338 nan 8.240 nan 0.000 0.518 627 A N 1.962 124.800 122.820 0.029 0.000 1.826 627 A HA 0.057 4.377 4.320 -0.000 0.000 0.214 627 A C 2.534 180.107 177.584 -0.018 0.000 1.212 627 A CA 1.534 53.572 52.037 0.001 0.000 0.605 627 A CB -1.233 17.750 19.000 -0.028 0.000 0.861 627 A HN 0.410 nan 8.150 nan 0.000 0.447 628 S N -1.563 114.125 115.700 -0.020 0.000 2.447 628 S HA -0.059 4.411 4.470 -0.000 0.000 0.233 628 S C 1.827 176.426 174.600 -0.001 0.000 1.006 628 S CA 1.771 59.960 58.200 -0.019 0.000 0.957 628 S CB -0.370 62.821 63.200 -0.015 0.000 0.773 628 S HN 0.661 nan 8.310 nan 0.000 0.507 629 T N 2.199 116.756 114.554 0.005 0.000 3.207 629 T HA 0.156 4.506 4.350 -0.000 0.000 0.229 629 T C 1.387 176.091 174.700 0.007 0.000 0.999 629 T CA 0.606 62.710 62.100 0.007 0.000 1.386 629 T CB -0.693 68.179 68.868 0.006 0.000 1.130 629 T HN 0.286 nan 8.240 nan 0.000 0.435 630 L N 2.134 123.360 121.223 0.004 0.000 2.354 630 L HA -0.382 3.958 4.340 -0.000 0.000 0.249 630 L C 1.905 178.782 176.870 0.012 0.000 1.085 630 L CA 3.050 57.893 54.840 0.005 0.000 0.838 630 L CB -1.484 40.576 42.059 0.001 0.000 0.948 630 L HN 0.773 nan 8.230 nan 0.000 0.421 631 E N -0.827 119.382 120.200 0.016 0.000 3.669 631 E HA -0.445 3.905 4.350 -0.000 0.000 0.207 631 E C 1.616 178.233 176.600 0.028 0.000 1.116 631 E CA 2.575 58.990 56.400 0.026 0.000 1.909 631 E CB -2.057 27.660 29.700 0.030 0.000 1.785 631 E HN 0.813 nan 8.360 nan 0.000 0.315 632 A N 1.821 124.656 122.820 0.025 0.000 1.908 632 A HA -0.291 4.029 4.320 -0.000 0.000 0.211 632 A C 2.502 180.098 177.584 0.021 0.000 1.225 632 A CA 3.587 55.640 52.037 0.026 0.000 0.689 632 A CB -1.107 17.907 19.000 0.023 0.000 0.843 632 A HN 0.681 nan 8.150 nan 0.000 0.472 633 M N -0.608 119.000 119.600 0.013 0.000 2.208 633 M HA -0.277 4.203 4.480 -0.000 0.000 0.243 633 M C 0.992 177.296 176.300 0.006 0.000 1.022 633 M CA 2.510 57.814 55.300 0.007 0.000 1.018 633 M CB -1.769 30.834 32.600 0.006 0.000 1.406 633 M HN 0.275 nan 8.290 nan 0.000 0.386 634 L N -0.306 120.926 121.223 0.015 0.000 2.873 634 L HA 0.291 4.631 4.340 -0.000 0.000 0.252 634 L C 1.408 178.292 176.870 0.023 0.000 1.266 634 L CA -0.173 54.679 54.840 0.020 0.000 1.111 634 L CB -1.036 41.039 42.059 0.028 0.000 1.440 634 L HN 0.364 nan 8.230 nan 0.000 0.427 635 R N -1.138 119.370 120.500 0.013 0.000 2.890 635 R HA 0.350 4.690 4.340 -0.000 0.000 0.101 635 R C 0.028 176.310 176.300 -0.030 0.000 1.054 635 R CA -0.843 55.269 56.100 0.020 0.000 0.858 635 R CB -0.135 30.186 30.300 0.036 0.000 0.757 635 R HN 0.240 nan 8.270 nan 0.000 0.370 636 N N 1.541 120.211 118.700 -0.050 0.000 3.256 636 N HA -0.246 4.494 4.740 -0.000 0.000 0.197 636 N C -0.054 175.178 175.510 -0.462 0.000 0.834 636 N CA 1.422 54.380 53.050 -0.152 0.000 0.978 636 N CB -0.586 37.838 38.487 -0.105 0.000 0.765 636 N HN 0.496 nan 8.380 nan 0.000 0.721 637 D N -0.119 119.965 120.400 -0.528 0.000 2.347 637 D HA 0.028 4.668 4.640 -0.000 0.000 0.213 637 D C 1.171 177.268 176.300 -0.339 0.000 0.985 637 D CA 1.075 54.641 54.000 -0.724 0.000 0.879 637 D CB 0.084 40.680 40.800 -0.341 0.000 0.919 637 D HN 0.509 nan 8.370 nan 0.000 0.526 638 T N 0.321 114.750 114.554 -0.208 0.000 2.739 638 T HA -0.013 4.337 4.350 -0.000 0.000 0.249 638 T C 0.885 175.544 174.700 -0.069 0.000 1.050 638 T CA 0.186 62.225 62.100 -0.103 0.000 1.165 638 T CB -0.247 68.582 68.868 -0.065 0.000 0.872 638 T HN 0.119 nan 8.240 nan 0.000 0.411 639 N N 2.572 121.239 118.700 -0.056 0.000 2.442 639 N HA 0.273 5.013 4.740 -0.000 0.000 0.265 639 N C -0.897 174.614 175.510 0.002 0.000 1.138 639 N CA -0.105 52.935 53.050 -0.017 0.000 0.956 639 N CB 0.983 39.467 38.487 -0.005 0.000 1.067 639 N HN 0.420 nan 8.380 nan 0.000 0.474 640 D N 0.828 121.244 120.400 0.027 0.000 3.438 640 D HA 0.271 4.911 4.640 -0.000 0.000 0.170 640 D C -0.617 175.725 176.300 0.071 0.000 1.164 640 D CA -0.160 53.873 54.000 0.055 0.000 1.482 640 D CB 0.702 41.541 40.800 0.065 0.000 1.147 640 D HN 0.284 nan 8.370 nan 0.000 0.187 641 Q N 0.097 119.951 119.800 0.090 0.000 3.482 641 Q HA 0.154 4.494 4.340 -0.000 0.000 0.150 641 Q C -1.837 174.273 176.000 0.184 0.000 0.936 641 Q CA -0.124 55.762 55.803 0.138 0.000 1.338 641 Q CB 0.933 29.775 28.738 0.173 0.000 1.407 641 Q HN 0.332 nan 8.270 nan 0.000 0.638 642 S N 3.361 119.149 115.700 0.147 0.000 2.416 642 S HA 0.584 5.054 4.470 -0.000 0.000 0.287 642 S C -0.780 173.918 174.600 0.164 0.000 1.139 642 S CA -0.206 58.080 58.200 0.143 0.000 1.058 642 S CB 0.063 63.302 63.200 0.065 0.000 0.967 642 S HN 0.394 nan 8.310 nan 0.000 0.495 643 F N 5.880 125.874 119.950 0.072 0.000 2.363 643 F HA 0.337 4.864 4.527 -0.000 0.000 0.366 643 F C 0.924 176.794 175.800 0.117 0.000 1.083 643 F CA -0.934 57.118 58.000 0.088 0.000 1.176 643 F CB 0.769 39.833 39.000 0.107 0.000 1.432 643 F HN 0.794 nan 8.300 nan 0.000 0.482 644 N N 0.118 118.895 118.700 0.129 0.000 2.267 644 N HA -0.074 4.666 4.740 -0.000 0.000 0.226 644 N C -0.757 174.775 175.510 0.037 0.000 1.314 644 N CA -0.524 52.554 53.050 0.048 0.000 0.887 644 N CB 0.545 38.993 38.487 -0.065 0.000 1.120 644 N HN 0.272 nan 8.380 nan 0.000 0.440 645 D N -0.253 120.031 120.400 -0.194 0.000 2.412 645 D HA 0.082 4.722 4.640 -0.000 0.000 0.224 645 D C -0.185 176.020 176.300 -0.159 0.000 1.093 645 D CA -0.452 53.315 54.000 -0.388 0.000 0.850 645 D CB 0.152 40.411 40.800 -0.901 0.000 1.046 645 D HN 0.590 nan 8.370 nan 0.000 0.507 646 Y N 3.922 124.143 120.300 -0.132 0.000 2.337 646 Y HA -0.057 4.493 4.550 -0.000 0.000 0.293 646 Y C 1.904 177.752 175.900 -0.087 0.000 1.123 646 Y CA 0.977 59.020 58.100 -0.094 0.000 1.201 646 Y CB 0.204 38.636 38.460 -0.046 0.000 1.011 646 Y HN 0.524 nan 8.280 nan 0.000 0.545 647 L N -0.203 121.096 121.223 0.127 0.000 2.191 647 L HA -0.060 4.280 4.340 -0.000 0.000 0.212 647 L C 1.279 178.108 176.870 -0.067 0.000 1.103 647 L CA 1.276 56.152 54.840 0.060 0.000 0.769 647 L CB -0.728 41.348 42.059 0.029 0.000 0.908 647 L HN 0.042 nan 8.230 nan 0.000 0.438 648 S N 0.752 116.359 115.700 -0.156 0.000 3.866 648 S HA 0.097 4.567 4.470 -0.000 0.000 0.232 648 S C 0.034 174.543 174.600 -0.152 0.000 0.711 648 S CA 0.502 58.587 58.200 -0.192 0.000 1.361 648 S CB -1.240 61.842 63.200 -0.197 0.000 1.635 648 S HN 1.133 nan 8.310 nan 0.000 0.388 649 A N 1.708 124.410 122.820 -0.197 0.000 2.351 649 A HA 0.824 5.144 4.320 -0.000 0.000 0.296 649 A C -0.804 176.547 177.584 -0.387 0.000 1.028 649 A CA -0.119 51.735 52.037 -0.305 0.000 0.575 649 A CB -0.170 18.649 19.000 -0.302 0.000 1.461 649 A HN 1.819 nan 8.150 nan 0.000 0.589 650 A N -0.465 121.888 122.820 -0.777 0.000 2.483 650 A HA 0.883 5.203 4.320 -0.000 0.000 0.286 650 A C -1.002 176.253 177.584 -0.549 0.000 1.207 650 A CA -0.549 51.122 52.037 -0.609 0.000 0.764 650 A CB 1.119 19.746 19.000 -0.623 0.000 1.341 650 A HN 0.904 nan 8.150 nan 0.000 0.428 651 N N 0.914 119.424 118.700 -0.316 0.000 2.725 651 N HA 0.184 4.924 4.740 -0.000 0.000 0.248 651 N C -0.355 175.046 175.510 -0.183 0.000 1.402 651 N CA -0.366 52.569 53.050 -0.191 0.000 0.766 651 N CB 1.173 39.691 38.487 0.053 0.000 1.223 651 N HN 0.586 nan 8.380 nan 0.000 0.515 652 M N 0.726 120.140 119.600 -0.310 0.000 1.981 652 M HA 0.473 4.953 4.480 -0.000 0.000 0.168 652 M C -0.590 175.573 176.300 -0.229 0.000 1.029 652 M CA 0.190 55.342 55.300 -0.247 0.000 1.327 652 M CB 0.240 32.663 32.600 -0.295 0.000 0.947 652 M HN 0.364 nan 8.290 nan 0.000 0.663 653 L N -1.355 119.714 121.223 -0.256 0.000 3.870 653 L HA 0.125 4.465 4.340 -0.000 0.000 0.232 653 L C -1.961 174.862 176.870 -0.079 0.000 1.017 653 L CA -0.173 54.612 54.840 -0.091 0.000 1.032 653 L CB 0.896 42.990 42.059 0.058 0.000 1.585 653 L HN 0.570 nan 8.230 nan 0.000 0.417 654 Y N 4.174 124.526 120.300 0.086 0.000 2.464 654 Y HA 0.398 4.948 4.550 -0.000 0.000 0.326 654 Y C -1.757 174.208 175.900 0.107 0.000 0.969 654 Y CA -2.225 55.938 58.100 0.105 0.000 1.270 654 Y CB 1.631 40.186 38.460 0.160 0.000 1.103 654 Y HN 0.305 nan 8.280 nan 0.000 0.491 655 P HA -0.095 nan 4.420 nan 0.000 0.259 655 P C -0.484 176.909 177.300 0.156 0.000 1.163 655 P CA 0.948 64.152 63.100 0.172 0.000 0.760 655 P CB 0.646 32.427 31.700 0.135 0.000 0.762 656 I N 6.038 126.692 120.570 0.141 0.000 2.306 656 I HA 0.200 4.370 4.170 -0.000 0.000 0.288 656 I C -1.600 174.576 176.117 0.099 0.000 1.036 656 I CA -2.611 58.767 61.300 0.130 0.000 1.221 656 I CB 1.195 39.280 38.000 0.142 0.000 1.385 656 I HN 0.163 nan 8.210 nan 0.000 0.472 657 P HA -0.095 nan 4.420 nan 0.000 0.296 657 P C 1.032 178.368 177.300 0.060 0.000 1.407 657 P CA 0.382 63.518 63.100 0.060 0.000 0.793 657 P CB 0.417 32.147 31.700 0.048 0.000 1.675 658 A N -1.321 121.528 122.820 0.049 0.000 1.872 658 A HA -0.041 4.279 4.320 -0.000 0.000 0.214 658 A C 0.540 178.157 177.584 0.055 0.000 1.187 658 A CA 1.673 53.738 52.037 0.047 0.000 0.614 658 A CB -1.048 17.974 19.000 0.035 0.000 0.826 658 A HN 0.534 nan 8.150 nan 0.000 0.442 659 N N -2.717 116.017 118.700 0.056 0.000 2.235 659 N HA 0.616 5.356 4.740 -0.000 0.000 0.293 659 N C -0.979 174.575 175.510 0.074 0.000 1.083 659 N CA 0.343 53.431 53.050 0.063 0.000 0.801 659 N CB 2.068 40.585 38.487 0.049 0.000 1.559 659 N HN 0.229 nan 8.380 nan 0.000 0.472 660 A N 0.528 123.404 122.820 0.093 0.000 3.355 660 A HA 0.279 4.599 4.320 -0.000 0.000 0.290 660 A C 0.681 178.334 177.584 0.116 0.000 0.973 660 A CA -0.412 51.692 52.037 0.112 0.000 0.933 660 A CB -0.076 19.017 19.000 0.155 0.000 1.138 660 A HN 0.615 nan 8.150 nan 0.000 0.490 661 T N -0.400 114.204 114.554 0.083 0.000 3.067 661 T HA 0.078 4.428 4.350 -0.000 0.000 0.257 661 T C 0.432 175.168 174.700 0.059 0.000 1.105 661 T CA 0.835 62.979 62.100 0.073 0.000 1.104 661 T CB -0.379 68.520 68.868 0.052 0.000 0.925 661 T HN 0.418 nan 8.240 nan 0.000 0.498 662 N N 1.428 120.158 118.700 0.050 0.000 2.576 662 N HA 0.379 5.119 4.740 -0.000 0.000 0.269 662 N C -1.630 173.898 175.510 0.031 0.000 1.058 662 N CA -0.190 52.876 53.050 0.026 0.000 0.860 662 N CB 2.100 40.595 38.487 0.014 0.000 1.249 662 N HN 0.072 nan 8.380 nan 0.000 0.525 663 V N 3.027 122.956 119.914 0.025 0.000 2.349 663 V HA 0.592 4.712 4.120 -0.000 0.000 0.284 663 V C -2.264 173.779 176.094 -0.085 0.000 1.014 663 V CA -1.396 60.922 62.300 0.031 0.000 0.826 663 V CB 1.369 33.302 31.823 0.183 0.000 1.009 663 V HN 0.452 nan 8.190 nan 0.000 0.431 664 P HA 0.872 nan 4.420 nan 0.000 0.293 664 P C -0.874 176.305 177.300 -0.202 0.000 1.305 664 P CA -0.945 62.060 63.100 -0.158 0.000 0.874 664 P CB 2.712 34.343 31.700 -0.115 0.000 1.288 665 I N -4.654 115.766 120.570 -0.250 0.000 3.395 665 I HA 0.677 4.847 4.170 -0.000 0.000 0.318 665 I C -1.326 174.642 176.117 -0.249 0.000 1.262 665 I CA -1.006 60.069 61.300 -0.375 0.000 0.910 665 I CB 1.878 39.555 38.000 -0.539 0.000 1.329 665 I HN 0.059 nan 8.210 nan 0.000 0.485 666 S N 2.628 118.188 115.700 -0.234 0.000 2.733 666 S HA 0.739 5.209 4.470 -0.000 0.000 0.294 666 S C -0.839 173.764 174.600 0.005 0.000 1.149 666 S CA -0.429 57.717 58.200 -0.090 0.000 1.034 666 S CB 1.137 64.299 63.200 -0.063 0.000 1.015 666 S HN 0.418 nan 8.310 nan 0.000 0.486 667 I N 4.305 124.880 120.570 0.009 0.000 2.619 667 I HA 0.539 4.709 4.170 -0.000 0.000 0.292 667 I C -2.365 173.784 176.117 0.053 0.000 1.100 667 I CA -1.934 59.400 61.300 0.057 0.000 1.043 667 I CB 2.222 40.260 38.000 0.063 0.000 1.239 667 I HN 0.424 nan 8.210 nan 0.000 0.420 668 P HA 0.505 nan 4.420 nan 0.000 0.338 668 P C -0.080 177.293 177.300 0.121 0.000 1.273 668 P CA -0.378 62.771 63.100 0.082 0.000 0.778 668 P CB 0.991 32.727 31.700 0.060 0.000 1.452 669 S N -1.504 114.254 115.700 0.097 0.000 2.546 669 S HA 0.614 5.084 4.470 -0.000 0.000 0.265 669 S C 0.260 174.840 174.600 -0.034 0.000 1.190 669 S CA -0.063 58.188 58.200 0.085 0.000 1.014 669 S CB 0.102 63.336 63.200 0.057 0.000 1.087 669 S HN 0.585 nan 8.310 nan 0.000 0.525 670 R N -1.032 119.345 120.500 -0.206 0.000 3.828 670 R HA 0.062 4.402 4.340 -0.000 0.000 0.241 670 R C -1.943 173.859 176.300 -0.829 0.000 0.816 670 R CA -0.407 55.463 56.100 -0.384 0.000 0.726 670 R CB -0.334 29.853 30.300 -0.188 0.000 1.642 670 R HN 0.708 nan 8.270 nan 0.000 0.440 671 N N -0.692 117.393 118.700 -1.025 0.000 2.240 671 N HA 0.507 5.247 4.740 -0.000 0.000 0.302 671 N C -0.785 173.715 175.510 -1.683 0.000 1.106 671 N CA -0.218 52.071 53.050 -1.268 0.000 0.778 671 N CB 1.242 39.296 38.487 -0.721 0.000 1.431 671 N HN 0.411 nan 8.380 nan 0.000 0.479 672 W N 1.254 122.234 121.300 -0.532 0.000 4.909 672 W HA 0.492 5.152 4.660 -0.000 0.000 0.180 672 W C 1.006 177.273 176.519 -0.421 0.000 2.269 672 W CA 0.552 57.565 57.345 -0.553 0.000 2.171 672 W CB -0.693 28.663 29.460 -0.172 0.000 1.191 672 W HN 0.545 nan 8.180 nan 0.000 0.907 673 A N 0.646 123.651 122.820 0.307 0.000 3.100 673 A HA -0.004 4.316 4.320 -0.000 0.000 0.268 673 A C 0.796 178.288 177.584 -0.153 0.000 1.227 673 A CA 3.033 55.148 52.037 0.131 0.000 0.967 673 A CB -2.057 17.016 19.000 0.120 0.000 1.066 673 A HN 1.325 nan 8.150 nan 0.000 0.787 674 A N -2.973 119.573 122.820 -0.456 0.000 2.905 674 A HA 0.844 5.164 4.320 -0.000 0.000 0.193 674 A C 0.464 177.477 177.584 -0.953 0.000 1.268 674 A CA 0.497 52.063 52.037 -0.784 0.000 1.416 674 A CB 0.099 18.084 19.000 -1.691 0.000 1.753 674 A HN 1.847 nan 8.150 nan 0.000 0.583 675 F N -1.232 118.229 119.950 -0.814 0.000 2.183 675 F HA -0.081 4.446 4.527 -0.000 0.000 0.321 675 F C 0.513 176.175 175.800 -0.229 0.000 1.291 675 F CA 1.054 58.669 58.000 -0.642 0.000 0.923 675 F CB 0.111 38.274 39.000 -1.396 0.000 4.122 675 F HN 0.592 nan 8.300 nan 0.000 0.155 676 R N 1.663 122.361 120.500 0.329 0.000 2.569 676 R HA 0.508 4.848 4.340 -0.000 0.000 0.422 676 R C -0.060 176.364 176.300 0.207 0.000 0.980 676 R CA 0.331 56.539 56.100 0.180 0.000 1.164 676 R CB 0.664 30.987 30.300 0.039 0.000 1.520 676 R HN 1.582 nan 8.270 nan 0.000 0.567 677 G N 0.483 109.510 108.800 0.378 0.000 2.653 677 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.656 677 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.656 677 G C -0.862 174.347 174.900 0.515 0.000 1.419 677 G CA -0.923 44.335 45.100 0.262 0.000 0.862 677 G HN -0.006 nan 8.290 nan 0.000 0.639 678 W N 0.695 122.306 121.300 0.517 0.000 2.154 678 W HA 0.817 5.477 4.660 -0.000 0.000 0.486 678 W C 0.783 177.525 176.519 0.372 0.000 1.940 678 W CA 0.419 58.045 57.345 0.468 0.000 2.166 678 W CB 1.365 30.976 29.460 0.253 0.000 1.738 678 W HN 1.733 nan 8.180 nan 0.000 0.741 679 A N -0.508 122.699 122.820 0.646 0.000 2.534 679 A HA 0.530 4.850 4.320 -0.000 0.000 0.282 679 A C -1.376 176.652 177.584 0.740 0.000 1.016 679 A CA -0.012 52.441 52.037 0.693 0.000 0.551 679 A CB 0.152 19.370 19.000 0.363 0.000 1.560 679 A HN 1.126 nan 8.150 nan 0.000 0.709 680 F N -3.331 116.737 119.950 0.197 0.000 3.339 680 F HA 0.625 5.152 4.527 -0.000 0.000 0.307 680 F C -0.734 175.025 175.800 -0.068 0.000 0.889 680 F CA 0.552 58.673 58.000 0.201 0.000 0.822 680 F CB -0.111 38.986 39.000 0.161 0.000 2.804 680 F HN 2.378 nan 8.300 nan 0.000 0.343 681 T N -1.039 113.188 114.554 -0.546 0.000 2.678 681 T HA 0.474 4.824 4.350 -0.000 0.000 0.298 681 T C -1.310 173.341 174.700 -0.082 0.000 1.875 681 T CA -0.828 60.890 62.100 -0.636 0.000 0.981 681 T CB 1.558 69.765 68.868 -1.102 0.000 1.953 681 T HN 1.115 nan 8.240 nan 0.000 0.510 682 R N -0.222 120.395 120.500 0.194 0.000 2.843 682 R HA 0.974 5.314 4.340 -0.000 0.000 0.232 682 R C -1.180 175.272 176.300 0.253 0.000 1.305 682 R CA -0.601 55.648 56.100 0.250 0.000 1.096 682 R CB 0.961 31.438 30.300 0.294 0.000 1.455 682 R HN 1.038 nan 8.270 nan 0.000 0.520 683 L N -2.726 118.629 121.223 0.220 0.000 3.186 683 L HA 0.385 4.725 4.340 -0.000 0.000 0.297 683 L C -2.034 174.998 176.870 0.270 0.000 0.904 683 L CA -0.786 54.257 54.840 0.338 0.000 1.061 683 L CB 0.906 43.165 42.059 0.334 0.000 1.643 683 L HN 0.549 nan 8.230 nan 0.000 0.370 684 K N -0.819 119.736 120.400 0.258 0.000 2.280 684 K HA 0.665 4.985 4.320 -0.000 0.000 0.234 684 K C -0.077 176.588 176.600 0.107 0.000 1.028 684 K CA -0.165 56.218 56.287 0.161 0.000 0.882 684 K CB 1.814 34.392 32.500 0.129 0.000 1.194 684 K HN 0.738 nan 8.250 nan 0.000 0.458 685 T N 0.349 114.954 114.554 0.086 0.000 3.009 685 T HA -0.033 4.317 4.350 -0.000 0.000 0.258 685 T C 1.365 176.108 174.700 0.072 0.000 1.063 685 T CA 1.267 63.410 62.100 0.073 0.000 1.139 685 T CB 0.107 69.015 68.868 0.067 0.000 0.890 685 T HN 0.306 nan 8.240 nan 0.000 0.471 686 K N 1.262 121.706 120.400 0.073 0.000 2.107 686 K HA 0.056 4.376 4.320 -0.000 0.000 0.211 686 K C 2.059 178.759 176.600 0.167 0.000 1.024 686 K CA 1.219 57.583 56.287 0.127 0.000 0.953 686 K CB -0.261 32.313 32.500 0.123 0.000 0.831 686 K HN 0.397 nan 8.250 nan 0.000 0.454 687 E N -0.293 119.923 120.200 0.027 0.000 2.351 687 E HA -0.256 4.094 4.350 -0.000 0.000 0.249 687 E C -0.205 176.598 176.600 0.339 0.000 1.062 687 E CA 2.110 58.484 56.400 -0.044 0.000 1.066 687 E CB -1.382 28.050 29.700 -0.446 0.000 0.955 687 E HN 0.163 nan 8.360 nan 0.000 0.504 688 T N 3.768 118.396 114.554 0.124 0.000 2.794 688 T HA 0.306 4.656 4.350 -0.000 0.000 0.304 688 T C -2.213 172.460 174.700 -0.045 0.000 0.973 688 T CA -1.303 60.819 62.100 0.037 0.000 0.972 688 T CB 1.340 70.214 68.868 0.010 0.000 0.952 688 T HN 0.218 nan 8.240 nan 0.000 0.509 689 P HA 0.423 nan 4.420 nan 0.000 0.332 689 P C -0.577 176.637 177.300 -0.142 0.000 1.298 689 P CA -0.804 62.190 63.100 -0.177 0.000 0.755 689 P CB 0.816 32.311 31.700 -0.342 0.000 1.465 690 S N -0.454 115.193 115.700 -0.088 0.000 2.667 690 S HA 0.486 4.956 4.470 -0.000 0.000 0.304 690 S C -0.735 173.845 174.600 -0.033 0.000 1.135 690 S CA -0.700 57.471 58.200 -0.049 0.000 1.125 690 S CB -1.402 61.792 63.200 -0.010 0.000 0.996 690 S HN 0.166 nan 8.310 nan 0.000 0.474 691 L N 5.010 126.212 121.223 -0.034 0.000 2.268 691 L HA 0.611 4.951 4.340 -0.000 0.000 0.289 691 L C 1.249 178.137 176.870 0.029 0.000 1.064 691 L CA -0.118 54.727 54.840 0.009 0.000 0.824 691 L CB 0.958 43.036 42.059 0.033 0.000 1.202 691 L HN 0.820 nan 8.230 nan 0.000 0.433 692 G N -0.089 108.720 108.800 0.014 0.000 2.613 692 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.208 692 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.208 692 G C 1.137 176.029 174.900 -0.014 0.000 1.318 692 G CA 0.382 45.474 45.100 -0.013 0.000 0.559 692 G HN 0.472 nan 8.290 nan 0.000 1.015 693 S N 0.042 115.750 115.700 0.013 0.000 2.520 693 S HA 0.168 4.638 4.470 -0.000 0.000 0.249 693 S C 2.039 176.678 174.600 0.065 0.000 0.983 693 S CA 1.918 60.137 58.200 0.032 0.000 0.958 693 S CB -0.356 62.856 63.200 0.020 0.000 0.750 693 S HN 1.626 nan 8.310 nan 0.000 0.527 694 G N -1.239 107.590 108.800 0.048 0.000 2.611 694 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.208 694 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.208 694 G C 0.132 175.021 174.900 -0.019 0.000 1.201 694 G CA 0.144 45.370 45.100 0.209 0.000 0.739 694 G HN 0.519 nan 8.290 nan 0.000 0.528 695 Y N 0.984 121.008 120.300 -0.460 0.000 2.679 695 Y HA 0.632 5.182 4.550 -0.000 0.000 0.331 695 Y C -0.663 175.163 175.900 -0.123 0.000 1.183 695 Y CA -0.201 57.696 58.100 -0.338 0.000 1.290 695 Y CB 2.052 40.181 38.460 -0.550 0.000 1.489 695 Y HN 0.147 nan 8.280 nan 0.000 0.583 696 D N 0.160 120.785 120.400 0.375 0.000 2.591 696 D HA 0.266 4.906 4.640 -0.000 0.000 0.222 696 D C -2.294 174.183 176.300 0.295 0.000 1.360 696 D CA -1.271 52.890 54.000 0.269 0.000 0.967 696 D CB 1.943 42.879 40.800 0.227 0.000 1.456 696 D HN 0.101 nan 8.370 nan 0.000 0.588 697 P HA 0.040 nan 4.420 nan 0.000 0.224 697 P C 0.118 177.320 177.300 -0.164 0.000 1.159 697 P CA 0.338 63.373 63.100 -0.107 0.000 0.824 697 P CB 0.358 31.902 31.700 -0.259 0.000 0.833 698 Y N 1.100 121.484 120.300 0.141 0.000 2.736 698 Y HA 0.350 4.900 4.550 -0.000 0.000 0.339 698 Y C -0.322 175.737 175.900 0.266 0.000 1.301 698 Y CA -0.433 57.753 58.100 0.143 0.000 1.676 698 Y CB -0.958 37.563 38.460 0.102 0.000 1.725 698 Y HN -0.013 nan 8.280 nan 0.000 0.466 699 Y N -0.460 119.926 120.300 0.142 0.000 2.098 699 Y HA 0.122 4.672 4.550 -0.000 0.000 0.315 699 Y C -0.428 175.546 175.900 0.123 0.000 1.348 699 Y CA -0.635 57.555 58.100 0.150 0.000 1.554 699 Y CB -0.000 38.555 38.460 0.158 0.000 1.270 699 Y HN 0.154 nan 8.280 nan 0.000 0.394 700 T N 2.058 116.344 114.554 -0.447 0.000 3.174 700 T HA 0.140 4.490 4.350 -0.000 0.000 0.269 700 T C -0.290 174.116 174.700 -0.490 0.000 1.017 700 T CA 0.051 61.879 62.100 -0.454 0.000 0.899 700 T CB -0.334 68.440 68.868 -0.158 0.000 1.077 700 T HN 0.561 nan 8.240 nan 0.000 0.552 701 Y N 2.643 122.438 120.300 -0.840 0.000 2.724 701 Y HA 0.445 4.995 4.550 -0.000 0.000 0.354 701 Y C 1.427 177.257 175.900 -0.117 0.000 1.270 701 Y CA -1.194 56.742 58.100 -0.274 0.000 1.902 701 Y CB -0.529 38.007 38.460 0.126 0.000 1.981 701 Y HN 0.274 nan 8.280 nan 0.000 0.428 702 S N 1.278 116.719 115.700 -0.432 0.000 2.383 702 S HA -0.114 4.356 4.470 -0.000 0.000 0.229 702 S C 1.597 175.973 174.600 -0.372 0.000 1.030 702 S CA 0.708 58.764 58.200 -0.241 0.000 1.002 702 S CB -0.745 62.323 63.200 -0.220 0.000 0.829 702 S HN 0.857 nan 8.310 nan 0.000 0.467 703 G N 1.855 110.219 108.800 -0.728 0.000 3.255 703 G HA2 0.053 4.013 3.960 -0.000 0.000 0.249 703 G HA3 0.053 4.013 3.960 -0.000 0.000 0.249 703 G C 0.198 174.771 174.900 -0.544 0.000 1.269 703 G CA -0.059 44.562 45.100 -0.797 0.000 0.904 703 G HN 0.434 nan 8.290 nan 0.000 0.627 704 S N -1.314 114.249 115.700 -0.229 0.000 2.572 704 S HA 0.280 4.750 4.470 -0.000 0.000 0.262 704 S C 0.227 174.891 174.600 0.107 0.000 1.375 704 S CA 0.339 58.522 58.200 -0.029 0.000 0.996 704 S CB 0.448 63.672 63.200 0.040 0.000 0.892 704 S HN 0.519 nan 8.310 nan 0.000 0.562 705 I N 1.153 121.755 120.570 0.053 0.000 2.841 705 I HA 0.305 4.475 4.170 -0.000 0.000 0.298 705 I C -2.565 173.494 176.117 -0.097 0.000 1.304 705 I CA -2.161 59.174 61.300 0.058 0.000 1.019 705 I CB 2.731 40.775 38.000 0.073 0.000 1.282 705 I HN 0.360 nan 8.210 nan 0.000 0.432 706 P HA 0.158 nan 4.420 nan 0.000 0.237 706 P C -0.834 176.216 177.300 -0.416 0.000 1.788 706 P CA 0.560 63.526 63.100 -0.223 0.000 1.061 706 P CB -0.049 31.636 31.700 -0.024 0.000 1.967 707 Y N 1.123 121.049 120.300 -0.624 0.000 3.090 707 Y HA 0.097 4.647 4.550 -0.000 0.000 0.212 707 Y C 1.269 176.870 175.900 -0.497 0.000 1.042 707 Y CA 0.079 57.751 58.100 -0.714 0.000 1.554 707 Y CB -0.584 37.572 38.460 -0.508 0.000 1.392 707 Y HN -0.098 nan 8.280 nan 0.000 0.412 708 L N 1.084 122.117 121.223 -0.316 0.000 2.095 708 L HA 0.030 4.370 4.340 -0.000 0.000 0.204 708 L C -0.280 176.375 176.870 -0.358 0.000 1.080 708 L CA 1.377 56.035 54.840 -0.304 0.000 0.759 708 L CB -0.033 41.994 42.059 -0.054 0.000 0.914 708 L HN 0.204 nan 8.230 nan 0.000 0.439 709 D N 0.088 120.258 120.400 -0.384 0.000 2.524 709 D HA 0.299 4.939 4.640 -0.000 0.000 0.222 709 D C 1.023 176.930 176.300 -0.655 0.000 1.142 709 D CA 0.705 54.465 54.000 -0.400 0.000 0.973 709 D CB 0.687 41.323 40.800 -0.274 0.000 1.025 709 D HN 0.328 nan 8.370 nan 0.000 0.519 710 G N 2.927 111.372 108.800 -0.592 0.000 4.236 710 G HA2 -0.421 3.539 3.960 -0.000 0.000 0.222 710 G HA3 -0.421 3.539 3.960 -0.000 0.000 0.222 710 G C 0.762 175.259 174.900 -0.671 0.000 1.354 710 G CA 1.446 46.180 45.100 -0.609 0.000 0.966 710 G HN 1.242 nan 8.290 nan 0.000 0.624 711 T N -2.732 111.105 114.554 -1.194 0.000 0.542 711 T HA 0.086 4.436 4.350 -0.000 0.000 0.774 711 T C 0.344 174.934 174.700 -0.183 0.000 0.992 711 T CA 1.235 62.798 62.100 -0.894 0.000 4.076 711 T CB -0.872 67.538 68.868 -0.762 0.000 2.303 711 T HN 2.302 nan 8.240 nan 0.000 0.398 712 F N 0.416 120.355 119.950 -0.019 0.000 2.195 712 F HA -0.041 4.486 4.527 -0.000 0.000 0.491 712 F C 0.732 176.651 175.800 0.198 0.000 1.250 712 F CA 0.455 58.498 58.000 0.072 0.000 1.581 712 F CB -2.180 36.743 39.000 -0.129 0.000 2.495 712 F HN 0.894 nan 8.300 nan 0.000 0.735 713 Y N 0.253 120.686 120.300 0.222 0.000 2.347 713 Y HA 0.407 4.957 4.550 -0.000 0.000 0.294 713 Y C 1.027 176.885 175.900 -0.069 0.000 1.117 713 Y CA 0.287 58.469 58.100 0.138 0.000 1.184 713 Y CB -0.314 38.247 38.460 0.168 0.000 1.047 713 Y HN 0.231 nan 8.280 nan 0.000 0.546 714 L N 3.262 124.085 121.223 -0.666 0.000 2.422 714 L HA 0.317 4.657 4.340 -0.000 0.000 0.256 714 L C -1.118 175.415 176.870 -0.563 0.000 1.202 714 L CA -0.017 54.456 54.840 -0.612 0.000 1.119 714 L CB -0.758 40.897 42.059 -0.675 0.000 1.383 714 L HN 0.241 nan 8.230 nan 0.000 0.411 715 N N 1.263 119.397 118.700 -0.943 0.000 2.642 715 N HA 0.262 5.002 4.740 -0.000 0.000 0.308 715 N C 0.311 175.593 175.510 -0.380 0.000 1.914 715 N CA -0.177 52.627 53.050 -0.411 0.000 0.893 715 N CB 0.206 38.552 38.487 -0.235 0.000 1.322 715 N HN 0.663 nan 8.380 nan 0.000 0.490 716 H N -3.941 114.832 119.070 -0.495 0.000 1.718 716 H HA 0.017 4.573 4.556 -0.000 0.000 0.132 716 H C 0.204 175.236 175.328 -0.494 0.000 1.127 716 H CA -0.247 55.698 56.048 -0.172 0.000 0.969 716 H CB -0.067 29.533 29.762 -0.270 0.000 0.595 716 H HN 0.083 nan 8.280 nan 0.000 0.274 717 T N 0.976 115.309 114.554 -0.368 0.000 4.454 717 T HA 0.228 4.578 4.350 -0.000 0.000 0.208 717 T C -0.354 174.103 174.700 -0.405 0.000 0.828 717 T CA 0.224 62.090 62.100 -0.389 0.000 1.476 717 T CB -1.879 66.830 68.868 -0.265 0.000 1.336 717 T HN 0.225 nan 8.240 nan 0.000 0.895 718 F N -0.379 119.625 119.950 0.089 0.000 2.675 718 F HA 0.622 5.149 4.527 -0.000 0.000 0.324 718 F C 1.142 176.943 175.800 0.001 0.000 1.106 718 F CA -1.599 56.445 58.000 0.074 0.000 0.970 718 F CB 2.152 41.209 39.000 0.095 0.000 1.385 718 F HN -0.032 nan 8.300 nan 0.000 0.489 719 K N -0.011 120.516 120.400 0.211 0.000 2.890 719 K HA 0.200 4.520 4.320 -0.000 0.000 0.202 719 K C -0.848 175.703 176.600 -0.083 0.000 1.592 719 K CA -0.122 56.181 56.287 0.027 0.000 1.197 719 K CB 1.432 33.956 32.500 0.041 0.000 1.913 719 K HN 0.548 nan 8.250 nan 0.000 0.550 720 K N 0.726 121.122 120.400 -0.006 0.000 2.495 720 K HA 0.655 4.975 4.320 -0.000 0.000 0.268 720 K C -1.036 175.646 176.600 0.135 0.000 1.008 720 K CA -0.960 55.275 56.287 -0.087 0.000 0.882 720 K CB 2.759 35.207 32.500 -0.086 0.000 1.443 720 K HN -0.165 nan 8.250 nan 0.000 0.447 721 V N 0.305 120.383 119.914 0.274 0.000 2.610 721 V HA 0.533 4.653 4.120 -0.000 0.000 0.288 721 V C -1.304 174.956 176.094 0.277 0.000 1.055 721 V CA -0.734 61.777 62.300 0.351 0.000 0.902 721 V CB 1.383 33.488 31.823 0.470 0.000 1.030 721 V HN 0.960 nan 8.190 nan 0.000 0.448 722 A N 5.684 128.529 122.820 0.041 0.000 2.303 722 A HA 0.962 5.282 4.320 -0.000 0.000 0.320 722 A C -0.442 177.103 177.584 -0.065 0.000 1.192 722 A CA -0.405 51.644 52.037 0.020 0.000 0.821 722 A CB 0.784 19.778 19.000 -0.010 0.000 1.188 722 A HN 0.715 nan 8.150 nan 0.000 0.492 723 I N 0.807 121.377 120.570 -0.001 0.000 3.653 723 I HA 0.737 4.907 4.170 -0.000 0.000 0.268 723 I C 0.201 176.287 176.117 -0.051 0.000 1.287 723 I CA -0.330 60.941 61.300 -0.050 0.000 0.839 723 I CB 0.654 38.755 38.000 0.169 0.000 1.644 723 I HN 0.631 nan 8.210 nan 0.000 0.767 724 T N 0.179 114.679 114.554 -0.090 0.000 3.976 724 T HA 0.240 4.590 4.350 -0.000 0.000 0.365 724 T C -1.068 173.506 174.700 -0.210 0.000 0.833 724 T CA -0.523 61.543 62.100 -0.056 0.000 0.982 724 T CB -0.839 67.978 68.868 -0.085 0.000 1.266 724 T HN 0.252 nan 8.240 nan 0.000 0.441 725 F N 2.583 122.490 119.950 -0.071 0.000 2.427 725 F HA 0.557 5.084 4.527 0.000 0.000 0.346 725 F C 1.192 176.992 175.800 0.001 0.000 1.120 725 F CA -0.002 57.843 58.000 -0.258 0.000 1.033 725 F CB 1.410 40.028 39.000 -0.637 0.000 1.126 725 F HN 0.759 nan 8.300 nan 0.000 0.462 726 D N 1.377 121.883 120.400 0.176 0.000 3.046 726 D HA -0.259 4.381 4.640 -0.000 0.000 0.210 726 D C 0.787 177.167 176.300 0.134 0.000 1.124 726 D CA 1.580 55.742 54.000 0.271 0.000 0.986 726 D CB -1.012 40.033 40.800 0.410 0.000 1.118 726 D HN 0.628 nan 8.370 nan 0.000 0.416 727 S N -3.310 112.429 115.700 0.064 0.000 3.091 727 S HA -0.223 4.247 4.470 -0.000 0.000 0.275 727 S C 1.150 175.781 174.600 0.051 0.000 1.306 727 S CA 1.372 59.587 58.200 0.025 0.000 1.083 727 S CB -1.344 61.866 63.200 0.016 0.000 1.313 727 S HN 0.488 nan 8.310 nan 0.000 0.673 728 S N -1.095 114.664 115.700 0.097 0.000 2.930 728 S HA 0.252 4.722 4.470 -0.000 0.000 0.253 728 S C 0.413 175.081 174.600 0.114 0.000 1.083 728 S CA 0.294 58.550 58.200 0.093 0.000 0.836 728 S CB 0.412 63.670 63.200 0.098 0.000 0.814 728 S HN 0.332 nan 8.310 nan 0.000 0.467 729 V N 3.555 123.578 119.914 0.181 0.000 2.370 729 V HA 0.284 4.404 4.120 -0.000 0.000 0.257 729 V C 0.855 177.089 176.094 0.234 0.000 1.064 729 V CA -0.121 62.301 62.300 0.205 0.000 0.975 729 V CB 0.531 32.526 31.823 0.286 0.000 1.067 729 V HN 0.387 nan 8.190 nan 0.000 0.485 730 S N 5.130 120.920 115.700 0.151 0.000 3.079 730 S HA -0.070 4.400 4.470 -0.000 0.000 0.245 730 S C 0.460 175.196 174.600 0.228 0.000 1.013 730 S CA -0.349 57.942 58.200 0.152 0.000 1.117 730 S CB -1.097 62.150 63.200 0.077 0.000 0.851 730 S HN 0.794 nan 8.310 nan 0.000 0.523 731 W N 1.702 123.063 121.300 0.102 0.000 2.886 731 W HA -0.211 4.449 4.660 -0.000 0.000 0.310 731 W C -2.424 174.078 176.519 -0.029 0.000 0.673 731 W CA -0.418 56.956 57.345 0.048 0.000 0.492 731 W CB 0.182 29.758 29.460 0.193 0.000 2.422 731 W HN 0.236 nan 8.180 nan 0.000 0.432 732 P HA 0.189 nan 4.420 nan 0.000 0.251 732 P C 1.165 178.331 177.300 -0.224 0.000 1.223 732 P CA 1.646 64.371 63.100 -0.626 0.000 0.796 732 P CB 0.542 31.802 31.700 -0.733 0.000 1.068 733 G N -1.541 107.161 108.800 -0.164 0.000 2.234 733 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.235 733 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.235 733 G C 0.455 175.290 174.900 -0.107 0.000 0.997 733 G CA -0.428 44.626 45.100 -0.078 0.000 0.623 733 G HN 0.280 nan 8.290 nan 0.000 0.514 734 N N 0.861 119.459 118.700 -0.169 0.000 2.307 734 N HA 0.143 4.883 4.740 -0.000 0.000 0.230 734 N C 0.332 175.765 175.510 -0.128 0.000 1.297 734 N CA 0.639 53.595 53.050 -0.156 0.000 0.884 734 N CB 0.337 38.700 38.487 -0.207 0.000 1.115 734 N HN 0.149 nan 8.380 nan 0.000 0.436 735 D N 0.184 120.523 120.400 -0.102 0.000 2.339 735 D HA 0.036 4.676 4.640 -0.000 0.000 0.217 735 D C 1.013 177.265 176.300 -0.081 0.000 1.050 735 D CA 0.113 54.065 54.000 -0.081 0.000 0.856 735 D CB 0.260 41.022 40.800 -0.063 0.000 0.922 735 D HN 0.314 nan 8.370 nan 0.000 0.518 736 R N 0.469 120.910 120.500 -0.099 0.000 2.397 736 R HA -0.017 4.323 4.340 -0.000 0.000 0.213 736 R C 0.855 177.111 176.300 -0.073 0.000 1.102 736 R CA 0.361 56.411 56.100 -0.083 0.000 1.040 736 R CB -1.188 29.051 30.300 -0.103 0.000 0.844 736 R HN 0.343 nan 8.270 nan 0.000 0.478 737 L N -5.355 115.821 121.223 -0.078 0.000 2.892 737 L HA 0.355 4.695 4.340 -0.000 0.000 0.269 737 L C -0.186 176.646 176.870 -0.064 0.000 1.058 737 L CA -0.946 53.856 54.840 -0.064 0.000 0.923 737 L CB 0.873 42.896 42.059 -0.059 0.000 1.518 737 L HN -0.218 nan 8.230 nan 0.000 0.402 738 L N -0.777 120.406 121.223 -0.065 0.000 2.554 738 L HA 0.280 4.620 4.340 -0.000 0.000 0.225 738 L C 0.956 177.793 176.870 -0.056 0.000 1.104 738 L CA 0.682 55.477 54.840 -0.075 0.000 0.866 738 L CB -0.242 41.749 42.059 -0.114 0.000 1.047 738 L HN 0.799 nan 8.230 nan 0.000 0.468 739 T N -2.988 111.547 114.554 -0.033 0.000 3.438 739 T HA 0.318 4.668 4.350 -0.000 0.000 0.244 739 T C -2.021 172.691 174.700 0.020 0.000 1.269 739 T CA -1.306 60.795 62.100 0.002 0.000 1.371 739 T CB 0.415 69.299 68.868 0.026 0.000 1.002 739 T HN -0.090 nan 8.240 nan 0.000 0.637 740 P HA -0.160 nan 4.420 nan 0.000 0.213 740 P C 1.250 178.564 177.300 0.023 0.000 1.170 740 P CA 1.266 64.346 63.100 -0.034 0.000 0.893 740 P CB 0.180 31.847 31.700 -0.055 0.000 0.784 741 N N 0.749 119.465 118.700 0.027 0.000 2.020 741 N HA -0.132 4.608 4.740 -0.000 0.000 0.191 741 N C 1.199 176.756 175.510 0.078 0.000 1.089 741 N CA 1.009 54.088 53.050 0.048 0.000 0.879 741 N CB -1.218 37.283 38.487 0.025 0.000 1.057 741 N HN 0.257 nan 8.380 nan 0.000 0.428 742 E N 0.331 120.567 120.200 0.059 0.000 3.271 742 E HA 0.233 4.583 4.350 -0.000 0.000 0.332 742 E C -0.510 176.198 176.600 0.180 0.000 1.505 742 E CA 0.258 56.704 56.400 0.077 0.000 1.676 742 E CB 0.202 29.913 29.700 0.018 0.000 1.053 742 E HN 0.424 nan 8.360 nan 0.000 0.687 743 F N -1.577 118.368 119.950 -0.008 0.000 2.845 743 F HA 0.197 4.724 4.527 -0.000 0.000 0.330 743 F C -2.210 173.584 175.800 -0.010 0.000 1.130 743 F CA -0.635 57.364 58.000 -0.001 0.000 0.914 743 F CB 0.845 39.867 39.000 0.037 0.000 1.331 743 F HN 0.288 nan 8.300 nan 0.000 0.463 744 E N 4.632 123.872 120.200 -1.600 0.000 2.308 744 E HA 0.432 4.782 4.350 -0.000 0.000 0.275 744 E C -0.033 175.783 176.600 -1.306 0.000 0.890 744 E CA -0.571 55.089 56.400 -1.233 0.000 0.754 744 E CB 2.261 31.645 29.700 -0.527 0.000 1.207 744 E HN 0.757 nan 8.360 nan 0.000 0.426 745 I N 2.002 122.068 120.570 -0.840 0.000 3.111 745 I HA -0.136 4.034 4.170 -0.000 0.000 0.272 745 I C 1.710 177.523 176.117 -0.507 0.000 1.268 745 I CA 1.137 62.063 61.300 -0.623 0.000 1.467 745 I CB -0.083 37.779 38.000 -0.230 0.000 1.087 745 I HN 0.395 nan 8.210 nan 0.000 0.467 746 K N 0.430 120.604 120.400 -0.378 0.000 2.548 746 K HA 0.148 4.468 4.320 -0.000 0.000 0.193 746 K C 0.614 177.080 176.600 -0.224 0.000 1.714 746 K CA -0.548 55.557 56.287 -0.304 0.000 1.024 746 K CB 0.024 32.382 32.500 -0.237 0.000 1.484 746 K HN -0.114 nan 8.250 nan 0.000 0.602 747 R N 2.676 123.041 120.500 -0.225 0.000 2.278 747 R HA -0.173 4.167 4.340 -0.000 0.000 0.246 747 R C -0.747 175.490 176.300 -0.106 0.000 0.892 747 R CA 0.867 56.873 56.100 -0.157 0.000 0.773 747 R CB -1.180 29.029 30.300 -0.151 0.000 2.040 747 R HN 0.480 nan 8.270 nan 0.000 0.538 748 S N 2.722 118.374 115.700 -0.080 0.000 2.523 748 S HA 0.232 4.702 4.470 -0.000 0.000 0.275 748 S C 1.486 176.058 174.600 -0.047 0.000 1.281 748 S CA -0.290 57.877 58.200 -0.054 0.000 1.050 748 S CB 1.856 65.036 63.200 -0.034 0.000 0.937 748 S HN 0.825 nan 8.310 nan 0.000 0.492 749 V N 3.341 123.228 119.914 -0.045 0.000 0.739 749 V HA -0.309 3.811 4.120 -0.000 0.000 0.060 749 V C 1.450 177.508 176.094 -0.061 0.000 2.496 749 V CA 2.588 64.858 62.300 -0.050 0.000 3.534 749 V CB -1.232 30.570 31.823 -0.035 0.000 1.205 749 V HN 1.069 nan 8.190 nan 0.000 1.061 750 D N 1.146 121.517 120.400 -0.049 0.000 2.404 750 D HA 0.271 4.911 4.640 -0.000 0.000 0.256 750 D C 0.949 177.230 176.300 -0.031 0.000 1.189 750 D CA 1.415 55.394 54.000 -0.035 0.000 0.965 750 D CB -0.541 40.244 40.800 -0.024 0.000 0.901 750 D HN 1.071 nan 8.370 nan 0.000 0.517 751 G N 1.182 109.917 108.800 -0.109 0.000 2.344 751 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.252 751 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.252 751 G C 0.522 175.268 174.900 -0.257 0.000 1.415 751 G CA -0.638 44.297 45.100 -0.275 0.000 1.224 751 G HN 0.014 nan 8.290 nan 0.000 0.616 752 E N 0.850 120.888 120.200 -0.271 0.000 2.076 752 E HA -0.028 4.322 4.350 -0.000 0.000 0.190 752 E C 2.481 179.015 176.600 -0.110 0.000 0.979 752 E CA 0.903 57.219 56.400 -0.140 0.000 0.807 752 E CB 0.001 29.642 29.700 -0.098 0.000 0.761 752 E HN 0.711 nan 8.360 nan 0.000 0.454 753 G N 0.181 108.842 108.800 -0.231 0.000 2.615 753 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.213 753 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.213 753 G C 0.743 175.772 174.900 0.215 0.000 1.135 753 G CA 0.604 45.670 45.100 -0.057 0.000 0.772 753 G HN 0.169 nan 8.290 nan 0.000 0.542 754 Y N -0.948 119.344 120.300 -0.013 0.000 2.664 754 Y HA 0.246 4.796 4.550 -0.000 0.000 0.278 754 Y C 1.835 177.705 175.900 -0.051 0.000 1.130 754 Y CA -1.066 57.011 58.100 -0.037 0.000 1.260 754 Y CB -0.394 38.030 38.460 -0.060 0.000 1.369 754 Y HN 0.072 nan 8.280 nan 0.000 0.499 755 N N 1.376 120.127 118.700 0.084 0.000 2.482 755 N HA 0.015 4.755 4.740 -0.000 0.000 0.220 755 N C 0.817 176.388 175.510 0.102 0.000 1.255 755 N CA 0.060 53.126 53.050 0.028 0.000 0.850 755 N CB 0.267 38.741 38.487 -0.022 0.000 1.127 755 N HN 0.023 nan 8.380 nan 0.000 0.475 756 V N 0.590 120.609 119.914 0.175 0.000 4.057 756 V HA 0.028 4.148 4.120 -0.000 0.000 0.274 756 V C 1.311 177.578 176.094 0.288 0.000 0.953 756 V CA 1.625 64.045 62.300 0.200 0.000 0.963 756 V CB 0.716 32.653 31.823 0.191 0.000 1.208 756 V HN 0.520 nan 8.190 nan 0.000 0.436 757 A N -2.362 120.550 122.820 0.153 0.000 3.555 757 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 757 A C 0.763 178.360 177.584 0.022 0.000 0.826 757 A CA 1.127 53.163 52.037 -0.002 0.000 1.969 757 A CB -1.249 17.804 19.000 0.088 0.000 0.742 757 A HN 1.350 nan 8.150 nan 0.000 0.670 758 Q N -3.260 116.578 119.800 0.063 0.000 2.412 758 Q HA -0.157 4.183 4.340 -0.000 0.000 0.189 758 Q C 0.349 176.400 176.000 0.085 0.000 0.607 758 Q CA 1.873 57.714 55.803 0.063 0.000 1.345 758 Q CB -2.500 26.269 28.738 0.051 0.000 1.056 758 Q HN 2.263 nan 8.270 nan 0.000 1.003 759 C N -1.660 117.691 119.300 0.085 0.000 3.175 759 C HA 0.575 5.035 4.460 -0.000 0.000 0.375 759 C C 0.291 175.282 174.990 0.003 0.000 2.777 759 C CA -0.314 58.746 59.018 0.071 0.000 1.221 759 C CB 0.252 28.068 27.740 0.127 0.000 3.182 759 C HN 0.494 nan 8.230 nan 0.000 0.440 760 N N 1.072 119.726 118.700 -0.078 0.000 3.027 760 N HA 0.392 5.132 4.740 -0.000 0.000 0.309 760 N C -0.439 174.907 175.510 -0.273 0.000 1.222 760 N CA 0.305 53.259 53.050 -0.161 0.000 1.187 760 N CB -0.037 38.355 38.487 -0.158 0.000 1.458 760 N HN 0.672 nan 8.380 nan 0.000 0.535 761 M N 1.753 121.269 119.600 -0.140 0.000 2.274 761 M HA 0.148 4.628 4.480 -0.000 0.000 0.272 761 M C -0.755 175.462 176.300 -0.139 0.000 1.053 761 M CA -0.293 54.921 55.300 -0.142 0.000 0.978 761 M CB 2.223 34.837 32.600 0.025 0.000 1.836 761 M HN 0.408 nan 8.290 nan 0.000 0.484 762 T N 1.780 116.164 114.554 -0.283 0.000 2.649 762 T HA 0.053 4.403 4.350 -0.000 0.000 0.337 762 T C 0.948 175.202 174.700 -0.743 0.000 1.070 762 T CA -0.078 61.827 62.100 -0.326 0.000 1.052 762 T CB 0.698 69.380 68.868 -0.311 0.000 0.994 762 T HN 0.636 nan 8.240 nan 0.000 0.544 763 K N 0.028 120.065 120.400 -0.604 0.000 2.487 763 K HA 0.119 4.439 4.320 -0.000 0.000 0.192 763 K C -0.027 176.054 176.600 -0.866 0.000 1.027 763 K CA 0.150 55.909 56.287 -0.880 0.000 1.054 763 K CB 0.105 32.530 32.500 -0.125 0.000 0.824 763 K HN 0.514 nan 8.250 nan 0.000 0.510 764 D N -1.734 118.295 120.400 -0.617 0.000 2.478 764 D HA 0.088 4.728 4.640 -0.000 0.000 0.263 764 D C 0.273 176.553 176.300 -0.033 0.000 1.153 764 D CA -0.278 53.590 54.000 -0.219 0.000 1.038 764 D CB 0.459 41.231 40.800 -0.047 0.000 1.120 764 D HN 0.046 nan 8.370 nan 0.000 0.564 765 W N 0.749 122.051 121.300 0.003 0.000 0.884 765 W HA -0.412 4.248 4.660 0.000 0.000 0.219 765 W C -0.047 176.508 176.519 0.060 0.000 0.924 765 W CA 0.757 58.162 57.345 0.101 0.000 0.352 765 W CB -1.388 28.227 29.460 0.259 0.000 1.918 765 W HN 0.416 nan 8.180 nan 0.000 1.397 766 F N 0.516 120.580 119.950 0.190 0.000 2.252 766 F HA -0.326 4.201 4.527 -0.000 0.000 0.178 766 F C 2.536 178.215 175.800 -0.200 0.000 0.791 766 F CA 2.000 60.027 58.000 0.045 0.000 0.764 766 F CB -1.967 37.047 39.000 0.023 0.000 0.791 766 F HN 0.042 nan 8.300 nan 0.000 0.667 767 L N -0.590 120.648 121.223 0.025 0.000 2.158 767 L HA -0.382 3.958 4.340 -0.000 0.000 0.249 767 L C 2.015 178.709 176.870 -0.292 0.000 1.097 767 L CA 3.295 58.037 54.840 -0.163 0.000 0.844 767 L CB -0.915 41.072 42.059 -0.120 0.000 0.940 767 L HN 0.453 nan 8.230 nan 0.000 0.436 768 V N -2.691 117.061 119.914 -0.269 0.000 0.514 768 V HA -0.540 3.580 4.120 -0.000 0.000 0.092 768 V C 1.863 177.777 176.094 -0.300 0.000 2.257 768 V CA 2.600 64.688 62.300 -0.354 0.000 3.579 768 V CB -1.700 29.771 31.823 -0.587 0.000 0.869 768 V HN 0.872 nan 8.190 nan 0.000 0.908 769 Q N -1.232 118.379 119.800 -0.316 0.000 2.356 769 Q HA 0.222 4.562 4.340 -0.000 0.000 0.205 769 Q C 1.537 177.469 176.000 -0.113 0.000 0.901 769 Q CA 0.794 56.534 55.803 -0.105 0.000 0.938 769 Q CB 0.286 29.093 28.738 0.114 0.000 1.081 769 Q HN 0.673 nan 8.270 nan 0.000 0.517 770 M N 0.706 120.134 119.600 -0.287 0.000 2.475 770 M HA 0.256 4.736 4.480 -0.000 0.000 0.261 770 M C 0.516 176.778 176.300 -0.064 0.000 1.177 770 M CA 0.166 55.329 55.300 -0.229 0.000 0.979 770 M CB 0.481 32.880 32.600 -0.336 0.000 1.482 770 M HN 0.194 nan 8.290 nan 0.000 0.484 771 L N -0.397 120.798 121.223 -0.046 0.000 3.066 771 L HA 0.315 4.655 4.340 -0.000 0.000 0.265 771 L C 1.019 177.935 176.870 0.076 0.000 1.232 771 L CA -0.021 54.822 54.840 0.005 0.000 1.031 771 L CB 0.275 42.314 42.059 -0.033 0.000 1.379 771 L HN 0.241 nan 8.230 nan 0.000 0.563 772 A N -1.574 121.297 122.820 0.084 0.000 1.757 772 A HA 0.139 4.459 4.320 -0.000 0.000 0.205 772 A C 1.302 178.943 177.584 0.096 0.000 1.791 772 A CA -0.085 52.020 52.037 0.113 0.000 1.282 772 A CB 0.032 19.122 19.000 0.149 0.000 1.297 772 A HN 0.290 nan 8.150 nan 0.000 0.422 773 N N -0.191 118.552 118.700 0.072 0.000 2.075 773 N HA 0.057 4.797 4.740 -0.000 0.000 0.192 773 N C -0.445 175.078 175.510 0.023 0.000 1.081 773 N CA 0.755 53.790 53.050 -0.025 0.000 0.985 773 N CB -0.488 37.957 38.487 -0.071 0.000 1.154 773 N HN 0.258 nan 8.380 nan 0.000 0.484 774 Y N 1.673 122.085 120.300 0.187 0.000 2.568 774 Y HA 0.237 4.787 4.550 -0.000 0.000 0.338 774 Y C 0.283 176.274 175.900 0.151 0.000 1.245 774 Y CA -0.771 57.435 58.100 0.178 0.000 1.667 774 Y CB -1.540 37.047 38.460 0.212 0.000 1.568 774 Y HN 0.149 nan 8.280 nan 0.000 0.471 775 N N 2.975 121.819 118.700 0.241 0.000 2.513 775 N HA -0.159 4.581 4.740 -0.000 0.000 0.296 775 N C 0.120 175.727 175.510 0.161 0.000 1.164 775 N CA 0.769 53.917 53.050 0.165 0.000 1.156 775 N CB -0.351 38.226 38.487 0.149 0.000 1.389 775 N HN 0.596 nan 8.380 nan 0.000 0.521 776 I N -0.921 119.695 120.570 0.076 0.000 2.886 776 I HA 0.310 4.480 4.170 -0.000 0.000 0.299 776 I C 1.591 177.579 176.117 -0.215 0.000 1.044 776 I CA -0.247 60.986 61.300 -0.112 0.000 1.310 776 I CB 1.338 39.248 38.000 -0.149 0.000 1.441 776 I HN 0.261 nan 8.210 nan 0.000 0.578 777 G N 1.368 109.932 108.800 -0.394 0.000 3.535 777 G HA2 0.130 4.090 3.960 -0.000 0.000 0.169 777 G HA3 0.130 4.090 3.960 -0.000 0.000 0.169 777 G C -0.030 174.533 174.900 -0.562 0.000 1.241 777 G CA -0.066 44.694 45.100 -0.567 0.000 1.334 777 G HN 0.572 nan 8.290 nan 0.000 0.717 778 Y N -0.274 119.926 120.300 -0.166 0.000 2.558 778 Y HA 0.390 4.940 4.550 -0.000 0.000 0.273 778 Y C 2.778 178.562 175.900 -0.193 0.000 1.100 778 Y CA 0.391 58.425 58.100 -0.110 0.000 1.276 778 Y CB 0.294 38.734 38.460 -0.034 0.000 1.196 778 Y HN 0.216 nan 8.280 nan 0.000 0.527 779 Q N 1.417 121.249 119.800 0.055 0.000 2.123 779 Q HA 0.179 4.519 4.340 -0.000 0.000 0.199 779 Q C 0.673 176.544 176.000 -0.216 0.000 0.966 779 Q CA 1.362 57.147 55.803 -0.031 0.000 0.845 779 Q CB 0.196 28.970 28.738 0.060 0.000 0.907 779 Q HN 0.601 nan 8.270 nan 0.000 0.439 780 G N -1.362 107.080 108.800 -0.596 0.000 2.428 780 G HA2 0.440 4.400 3.960 -0.000 0.000 0.304 780 G HA3 0.440 4.400 3.960 -0.000 0.000 0.304 780 G C -1.844 172.094 174.900 -1.602 0.000 1.303 780 G CA -0.831 43.788 45.100 -0.802 0.000 0.825 780 G HN 0.081 nan 8.290 nan 0.000 0.484 781 F N -0.185 119.511 119.950 -0.423 0.000 2.591 781 F HA 0.762 5.289 4.527 0.000 0.000 0.309 781 F C -0.467 175.060 175.800 -0.455 0.000 1.098 781 F CA -0.822 56.810 58.000 -0.612 0.000 0.937 781 F CB 2.205 41.032 39.000 -0.289 0.000 1.250 781 F HN 0.667 nan 8.300 nan 0.000 0.447 782 Y N -0.585 119.789 120.300 0.124 0.000 2.728 782 Y HA 0.738 5.288 4.550 -0.000 0.000 0.330 782 Y C -1.028 174.870 175.900 -0.003 0.000 1.234 782 Y CA -1.619 56.511 58.100 0.049 0.000 1.070 782 Y CB 1.623 40.097 38.460 0.023 0.000 1.300 782 Y HN 0.375 nan 8.280 nan 0.000 0.467 783 I N 2.087 122.773 120.570 0.194 0.000 2.697 783 I HA 0.265 4.435 4.170 -0.000 0.000 0.279 783 I C -2.187 173.967 176.117 0.061 0.000 1.171 783 I CA -1.757 59.588 61.300 0.076 0.000 1.135 783 I CB 1.114 39.152 38.000 0.065 0.000 1.445 783 I HN 0.427 nan 8.210 nan 0.000 0.541 784 P HA -0.078 nan 4.420 nan 0.000 0.280 784 P C 0.232 177.562 177.300 0.049 0.000 1.359 784 P CA 1.006 64.106 63.100 -0.001 0.000 0.744 784 P CB -0.040 31.636 31.700 -0.040 0.000 1.236 785 E N -2.944 117.290 120.200 0.056 0.000 2.877 785 E HA -0.101 4.249 4.350 -0.000 0.000 0.247 785 E C -0.542 176.107 176.600 0.081 0.000 1.237 785 E CA 0.630 57.080 56.400 0.084 0.000 1.624 785 E CB -1.572 28.222 29.700 0.157 0.000 2.003 785 E HN 0.132 nan 8.360 nan 0.000 0.595 786 S N -0.777 114.985 115.700 0.104 0.000 3.073 786 S HA 0.286 4.756 4.470 -0.000 0.000 0.252 786 S C -0.147 174.535 174.600 0.136 0.000 0.953 786 S CA 0.261 58.509 58.200 0.081 0.000 1.105 786 S CB 0.448 63.677 63.200 0.048 0.000 1.070 786 S HN 0.601 nan 8.310 nan 0.000 0.574 787 Y N 0.260 120.549 120.300 -0.017 0.000 2.617 787 Y HA 0.529 5.079 4.550 -0.000 0.000 0.280 787 Y C 0.915 176.818 175.900 0.005 0.000 1.005 787 Y CA -0.346 57.746 58.100 -0.012 0.000 1.194 787 Y CB 0.264 38.717 38.460 -0.012 0.000 1.405 787 Y HN 0.046 nan 8.280 nan 0.000 0.580 788 K N -0.010 120.384 120.400 -0.010 0.000 2.353 788 K HA 0.078 4.398 4.320 -0.000 0.000 0.206 788 K C -0.368 176.222 176.600 -0.017 0.000 1.191 788 K CA 0.416 56.642 56.287 -0.101 0.000 0.897 788 K CB 0.175 32.646 32.500 -0.049 0.000 1.283 788 K HN 0.051 nan 8.250 nan 0.000 0.477 789 D N 2.693 123.013 120.400 -0.133 0.000 2.342 789 D HA -0.001 4.639 4.640 -0.000 0.000 0.260 789 D C -0.397 175.897 176.300 -0.011 0.000 1.278 789 D CA 0.160 53.892 54.000 -0.447 0.000 0.910 789 D CB 0.477 41.057 40.800 -0.366 0.000 1.079 789 D HN -0.104 nan 8.370 nan 0.000 0.496 790 R N 3.369 124.101 120.500 0.387 0.000 2.560 790 R HA 0.205 4.545 4.340 -0.000 0.000 0.270 790 R C 1.016 177.466 176.300 0.251 0.000 1.074 790 R CA -0.513 55.758 56.100 0.285 0.000 1.140 790 R CB 0.099 30.550 30.300 0.252 0.000 1.073 790 R HN 0.524 nan 8.270 nan 0.000 0.527 791 M N 0.661 120.272 119.600 0.018 0.000 2.357 791 M HA 0.049 4.529 4.480 -0.000 0.000 0.266 791 M C -0.025 176.462 176.300 0.311 0.000 1.095 791 M CA 1.395 56.724 55.300 0.048 0.000 1.156 791 M CB 0.375 32.887 32.600 -0.148 0.000 1.365 791 M HN 0.381 nan 8.290 nan 0.000 0.447 792 Y N 0.801 121.111 120.300 0.017 0.000 2.933 792 Y HA 0.473 5.023 4.550 -0.000 0.000 0.380 792 Y C -0.465 175.420 175.900 -0.026 0.000 1.056 792 Y CA -1.455 56.626 58.100 -0.033 0.000 1.704 792 Y CB -0.977 37.435 38.460 -0.080 0.000 1.558 792 Y HN 0.063 nan 8.280 nan 0.000 0.501 793 S N -0.829 114.975 115.700 0.174 0.000 2.277 793 S HA 0.211 4.681 4.470 -0.000 0.000 0.230 793 S C 0.056 174.785 174.600 0.215 0.000 0.893 793 S CA -1.107 57.132 58.200 0.066 0.000 1.044 793 S CB -0.451 62.763 63.200 0.023 0.000 1.252 793 S HN 0.447 nan 8.310 nan 0.000 0.393 794 F N 0.233 120.279 119.950 0.160 0.000 2.719 794 F HA -0.425 4.102 4.527 -0.000 0.000 0.526 794 F C 1.312 177.446 175.800 0.557 0.000 0.518 794 F CA 2.501 60.672 58.000 0.285 0.000 0.691 794 F CB -0.708 38.381 39.000 0.149 0.000 1.566 794 F HN 0.648 nan 8.300 nan 0.000 0.253 795 F N 0.681 121.013 119.950 0.636 0.000 2.389 795 F HA 0.291 4.818 4.527 -0.000 0.000 0.275 795 F C 1.856 177.879 175.800 0.372 0.000 1.009 795 F CA 1.081 59.387 58.000 0.509 0.000 1.187 795 F CB -0.934 38.290 39.000 0.374 0.000 1.139 795 F HN -0.297 nan 8.300 nan 0.000 0.613 796 R N 2.007 122.420 120.500 -0.144 0.000 3.457 796 R HA 0.032 4.372 4.340 -0.000 0.000 0.218 796 R C -0.585 175.714 176.300 -0.002 0.000 1.833 796 R CA 0.799 56.683 56.100 -0.361 0.000 1.554 796 R CB -1.478 28.669 30.300 -0.255 0.000 1.143 796 R HN 0.651 nan 8.270 nan 0.000 0.557 797 N N -0.964 117.821 118.700 0.143 0.000 2.570 797 N HA 0.019 4.759 4.740 -0.000 0.000 0.261 797 N C -0.947 174.762 175.510 0.331 0.000 1.540 797 N CA -0.458 52.709 53.050 0.194 0.000 0.959 797 N CB 0.090 38.675 38.487 0.163 0.000 1.449 797 N HN 0.077 nan 8.380 nan 0.000 0.519 798 F N 0.639 120.669 119.950 0.133 0.000 2.919 798 F HA 0.361 4.888 4.527 -0.000 0.000 0.330 798 F C -2.465 173.443 175.800 0.179 0.000 1.136 798 F CA -0.221 57.868 58.000 0.149 0.000 0.901 798 F CB 0.861 40.004 39.000 0.239 0.000 1.321 798 F HN 0.063 nan 8.300 nan 0.000 0.449 799 Q N 3.965 123.245 119.800 -0.868 0.000 3.181 799 Q HA 0.229 4.569 4.340 -0.000 0.000 0.193 799 Q C -2.608 173.115 176.000 -0.461 0.000 0.816 799 Q CA -1.062 54.303 55.803 -0.729 0.000 1.261 799 Q CB 1.417 30.014 28.738 -0.236 0.000 1.597 799 Q HN 0.522 nan 8.270 nan 0.000 0.607 800 P HA 0.183 nan 4.420 nan 0.000 0.313 800 P C -0.062 177.202 177.300 -0.059 0.000 1.332 800 P CA 0.261 63.315 63.100 -0.077 0.000 0.777 800 P CB 0.486 32.278 31.700 0.154 0.000 1.599 801 M N -4.906 114.703 119.600 0.015 0.000 3.680 801 M HA 0.509 4.989 4.480 -0.000 0.000 0.366 801 M C -1.830 174.574 176.300 0.173 0.000 1.528 801 M CA -0.832 54.513 55.300 0.074 0.000 0.916 801 M CB 1.135 33.764 32.600 0.048 0.000 2.272 801 M HN 0.149 nan 8.290 nan 0.000 0.517 802 S N 0.422 116.314 115.700 0.319 0.000 2.560 802 S HA 0.752 5.222 4.470 -0.000 0.000 0.283 802 S C -1.730 173.057 174.600 0.312 0.000 1.141 802 S CA -0.993 57.414 58.200 0.345 0.000 0.902 802 S CB 2.309 65.616 63.200 0.178 0.000 1.104 802 S HN 0.895 nan 8.310 nan 0.000 0.454 803 R N 1.638 122.250 120.500 0.187 0.000 2.566 803 R HA 0.457 4.797 4.340 -0.000 0.000 0.271 803 R C -2.054 174.179 176.300 -0.112 0.000 1.071 803 R CA -0.531 55.490 56.100 -0.133 0.000 0.915 803 R CB 1.373 31.245 30.300 -0.714 0.000 1.228 803 R HN 0.592 nan 8.270 nan 0.000 0.449 804 Q N 1.239 120.980 119.800 -0.099 0.000 2.214 804 Q HA 0.646 4.986 4.340 -0.000 0.000 0.251 804 Q C -0.782 175.174 176.000 -0.073 0.000 0.936 804 Q CA -0.509 55.260 55.803 -0.057 0.000 0.894 804 Q CB 2.135 30.858 28.738 -0.025 0.000 1.252 804 Q HN 0.486 nan 8.270 nan 0.000 0.448 805 V N -0.983 118.910 119.914 -0.034 0.000 3.023 805 V HA 0.482 4.602 4.120 -0.000 0.000 0.294 805 V C 0.139 176.246 176.094 0.022 0.000 1.324 805 V CA -1.132 61.161 62.300 -0.013 0.000 0.979 805 V CB 0.865 32.666 31.823 -0.037 0.000 1.093 805 V HN 0.544 nan 8.190 nan 0.000 0.434 806 V N 1.887 121.849 119.914 0.081 0.000 4.131 806 V HA 0.365 4.485 4.120 -0.000 0.000 0.262 806 V C 0.178 176.235 176.094 -0.061 0.000 0.852 806 V CA 0.667 63.021 62.300 0.091 0.000 0.830 806 V CB -0.018 31.995 31.823 0.316 0.000 1.159 806 V HN 1.225 nan 8.190 nan 0.000 0.384 807 D N -3.203 116.997 120.400 -0.333 0.000 2.671 807 D HA 0.375 5.015 4.640 -0.000 0.000 0.273 807 D C -0.802 174.799 176.300 -1.164 0.000 1.264 807 D CA -0.733 52.958 54.000 -0.515 0.000 0.788 807 D CB 0.846 41.497 40.800 -0.248 0.000 1.324 807 D HN 0.455 nan 8.370 nan 0.000 0.424 808 D N -0.554 119.418 120.400 -0.713 0.000 1.864 808 D HA 0.096 4.736 4.640 -0.000 0.000 0.255 808 D C 0.027 176.125 176.300 -0.337 0.000 1.119 808 D CA 0.418 54.099 54.000 -0.532 0.000 0.941 808 D CB 0.121 40.833 40.800 -0.147 0.000 1.300 808 D HN 0.459 nan 8.370 nan 0.000 0.485 809 T N -0.436 114.064 114.554 -0.091 0.000 2.750 809 T HA 0.068 4.418 4.350 -0.000 0.000 0.277 809 T C 0.639 175.323 174.700 -0.026 0.000 0.996 809 T CA 0.490 62.584 62.100 -0.011 0.000 1.195 809 T CB 0.597 69.472 68.868 0.012 0.000 0.963 809 T HN 0.470 nan 8.240 nan 0.000 0.516 810 K N 1.621 122.042 120.400 0.035 0.000 2.469 810 K HA 0.041 4.361 4.320 -0.000 0.000 0.143 810 K C -1.060 175.635 176.600 0.159 0.000 2.062 810 K CA -0.355 55.959 56.287 0.045 0.000 1.292 810 K CB 0.608 33.101 32.500 -0.012 0.000 2.267 810 K HN 0.516 nan 8.250 nan 0.000 0.535 811 Y N 2.659 122.991 120.300 0.053 0.000 2.346 811 Y HA 0.300 4.850 4.550 -0.000 0.000 0.332 811 Y C -0.263 175.723 175.900 0.143 0.000 0.985 811 Y CA -1.500 56.666 58.100 0.110 0.000 1.112 811 Y CB 1.619 40.183 38.460 0.173 0.000 1.170 811 Y HN 0.007 nan 8.280 nan 0.000 0.447 812 K N 1.292 121.966 120.400 0.457 0.000 2.520 812 K HA -0.099 4.221 4.320 -0.000 0.000 0.197 812 K C 0.163 176.739 176.600 -0.039 0.000 1.043 812 K CA 1.664 58.057 56.287 0.176 0.000 0.944 812 K CB 0.226 32.847 32.500 0.201 0.000 0.770 812 K HN 0.310 nan 8.250 nan 0.000 0.480 813 D N -0.646 119.485 120.400 -0.449 0.000 2.388 813 D HA 0.035 4.675 4.640 -0.000 0.000 0.221 813 D C -1.167 174.998 176.300 -0.224 0.000 1.133 813 D CA -0.149 53.553 54.000 -0.498 0.000 0.831 813 D CB 0.050 40.233 40.800 -1.029 0.000 0.962 813 D HN 0.195 nan 8.370 nan 0.000 0.502 814 Y N 2.674 122.848 120.300 -0.210 0.000 2.434 814 Y HA 0.214 4.764 4.550 -0.000 0.000 0.341 814 Y C -0.423 175.390 175.900 -0.145 0.000 0.965 814 Y CA -0.708 57.293 58.100 -0.164 0.000 1.205 814 Y CB 0.447 38.875 38.460 -0.053 0.000 1.121 814 Y HN -0.100 nan 8.280 nan 0.000 0.507 815 Q N 5.286 124.851 119.800 -0.392 0.000 2.322 815 Q HA 0.187 4.527 4.340 -0.000 0.000 0.265 815 Q C -0.625 175.196 176.000 -0.299 0.000 0.985 815 Q CA -0.839 54.815 55.803 -0.247 0.000 0.849 815 Q CB 1.970 30.567 28.738 -0.235 0.000 1.274 815 Q HN 0.690 nan 8.270 nan 0.000 0.449 816 Q N 2.811 122.548 119.800 -0.104 0.000 2.903 816 Q HA 0.099 4.439 4.340 -0.000 0.000 0.295 816 Q C 0.228 176.171 176.000 -0.094 0.000 1.157 816 Q CA -0.074 55.694 55.803 -0.059 0.000 0.930 816 Q CB -0.190 28.562 28.738 0.025 0.000 1.571 816 Q HN 0.567 nan 8.270 nan 0.000 0.440 817 V N -0.443 119.380 119.914 -0.152 0.000 4.245 817 V HA 0.290 4.410 4.120 -0.000 0.000 0.242 817 V C 0.894 176.977 176.094 -0.018 0.000 0.851 817 V CA 0.452 62.684 62.300 -0.114 0.000 0.871 817 V CB -0.242 31.502 31.823 -0.131 0.000 1.057 817 V HN 0.678 nan 8.190 nan 0.000 0.341 818 G N -1.678 107.146 108.800 0.040 0.000 2.350 818 G HA2 0.410 4.370 3.960 -0.000 0.000 0.274 818 G HA3 0.410 4.370 3.960 -0.000 0.000 0.274 818 G C -0.583 174.296 174.900 -0.036 0.000 1.621 818 G CA -0.180 44.932 45.100 0.020 0.000 0.935 818 G HN 1.313 nan 8.290 nan 0.000 0.694 819 I N 0.327 120.795 120.570 -0.170 0.000 4.899 819 I HA -0.482 3.688 4.170 -0.000 0.000 0.039 819 I C 2.625 178.567 176.117 -0.291 0.000 0.635 819 I CA 2.717 63.884 61.300 -0.221 0.000 0.249 819 I CB -1.680 36.232 38.000 -0.147 0.000 0.341 819 I HN 0.792 nan 8.210 nan 0.000 0.151 820 L N 0.354 121.368 121.223 -0.349 0.000 2.051 820 L HA -0.206 4.134 4.340 -0.000 0.000 0.214 820 L C 2.190 178.928 176.870 -0.220 0.000 1.076 820 L CA 2.498 57.159 54.840 -0.298 0.000 0.758 820 L CB -1.523 40.325 42.059 -0.352 0.000 0.890 820 L HN 0.666 nan 8.230 nan 0.000 0.433 821 H N -0.990 118.059 119.070 -0.036 0.000 2.592 821 H HA 0.227 4.783 4.556 -0.000 0.000 0.291 821 H C 0.407 175.644 175.328 -0.152 0.000 1.052 821 H CA -0.009 56.027 56.048 -0.021 0.000 1.175 821 H CB -0.322 29.417 29.762 -0.038 0.000 1.378 821 H HN 0.400 nan 8.280 nan 0.000 0.576 822 Q N 1.817 121.461 119.800 -0.259 0.000 2.563 822 Q HA 0.042 4.382 4.340 -0.000 0.000 0.367 822 Q C -0.478 174.967 176.000 -0.926 0.000 0.845 822 Q CA -0.452 54.855 55.803 -0.828 0.000 1.077 822 Q CB 0.516 28.625 28.738 -1.050 0.000 1.409 822 Q HN 0.700 nan 8.270 nan 0.000 0.396 823 H N -1.224 117.707 119.070 -0.232 0.000 2.815 823 H HA 0.133 4.689 4.556 -0.000 0.000 0.350 823 H C -0.306 175.237 175.328 0.358 0.000 1.080 823 H CA 0.386 56.449 56.048 0.025 0.000 1.433 823 H CB 1.387 31.213 29.762 0.107 0.000 1.432 823 H HN 0.355 nan 8.280 nan 0.000 0.592 824 N N 2.104 121.110 118.700 0.509 0.000 2.648 824 N HA -0.128 4.612 4.740 -0.000 0.000 0.234 824 N C -0.026 175.628 175.510 0.240 0.000 1.034 824 N CA -0.311 53.042 53.050 0.504 0.000 1.205 824 N CB 0.638 39.307 38.487 0.305 0.000 1.573 824 N HN 0.613 nan 8.380 nan 0.000 0.615 825 N N 1.856 120.613 118.700 0.095 0.000 3.228 825 N HA 0.122 4.862 4.740 -0.000 0.000 0.289 825 N C -0.990 174.570 175.510 0.084 0.000 1.419 825 N CA -0.175 52.864 53.050 -0.018 0.000 1.088 825 N CB 0.446 38.775 38.487 -0.263 0.000 1.357 825 N HN 0.294 nan 8.380 nan 0.000 0.504 826 S N -0.963 114.894 115.700 0.261 0.000 2.589 826 S HA 0.448 4.918 4.470 -0.000 0.000 0.265 826 S C 1.452 176.305 174.600 0.422 0.000 1.342 826 S CA 0.228 58.598 58.200 0.285 0.000 1.005 826 S CB 1.212 64.549 63.200 0.227 0.000 0.909 826 S HN 0.586 nan 8.310 nan 0.000 0.555 827 G N -0.165 108.792 108.800 0.261 0.000 2.217 827 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.246 827 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.246 827 G C 0.324 175.187 174.900 -0.060 0.000 0.990 827 G CA 0.443 45.590 45.100 0.079 0.000 0.627 827 G HN 0.713 nan 8.290 nan 0.000 0.522 828 F N -0.030 119.918 119.950 -0.004 0.000 2.819 828 F HA 0.416 4.943 4.527 -0.000 0.000 0.325 828 F C 1.313 177.110 175.800 -0.006 0.000 1.041 828 F CA -0.018 57.977 58.000 -0.009 0.000 1.184 828 F CB 0.468 39.462 39.000 -0.009 0.000 1.019 828 F HN 0.178 nan 8.300 nan 0.000 0.590 829 V N -0.323 119.729 119.914 0.230 0.000 3.463 829 V HA 0.804 4.924 4.120 -0.000 0.000 0.302 829 V C 0.722 176.871 176.094 0.092 0.000 1.097 829 V CA -0.469 61.905 62.300 0.122 0.000 1.003 829 V CB 0.524 32.403 31.823 0.092 0.000 1.229 829 V HN 0.128 nan 8.190 nan 0.000 0.444 830 G N -1.391 107.454 108.800 0.075 0.000 2.849 830 G HA2 0.502 4.462 3.960 -0.000 0.000 0.174 830 G HA3 0.502 4.462 3.960 -0.000 0.000 0.174 830 G C -1.741 173.249 174.900 0.150 0.000 1.370 830 G CA -0.271 44.874 45.100 0.075 0.000 1.040 830 G HN 0.746 nan 8.290 nan 0.000 0.582 831 Y N -0.064 120.213 120.300 -0.039 0.000 2.317 831 Y HA 0.417 4.967 4.550 -0.000 0.000 0.325 831 Y C 0.086 175.978 175.900 -0.013 0.000 1.066 831 Y CA -1.099 56.981 58.100 -0.034 0.000 1.203 831 Y CB 0.690 39.110 38.460 -0.066 0.000 1.127 831 Y HN 0.398 nan 8.280 nan 0.000 0.451 832 L N 4.529 125.557 121.223 -0.325 0.000 3.746 832 L HA -0.230 4.110 4.340 -0.000 0.000 0.542 832 L C -0.187 176.661 176.870 -0.036 0.000 1.268 832 L CA 1.619 56.309 54.840 -0.250 0.000 0.818 832 L CB -2.129 39.661 42.059 -0.448 0.000 1.472 832 L HN 1.093 nan 8.230 nan 0.000 0.843 833 A N 0.118 122.946 122.820 0.013 0.000 2.325 833 A HA 0.475 4.795 4.320 -0.000 0.000 0.293 833 A C -2.127 175.509 177.584 0.086 0.000 0.966 833 A CA -0.172 51.904 52.037 0.065 0.000 0.541 833 A CB -0.325 18.704 19.000 0.048 0.000 1.523 833 A HN 0.074 nan 8.150 nan 0.000 0.597 834 P HA -0.046 nan 4.420 nan 0.000 0.214 834 P C 0.916 178.193 177.300 -0.038 0.000 1.163 834 P CA 2.530 65.577 63.100 -0.088 0.000 0.889 834 P CB -0.517 31.060 31.700 -0.205 0.000 0.790 835 T N -0.618 113.921 114.554 -0.025 0.000 0.542 835 T HA -0.223 4.127 4.350 -0.000 0.000 0.774 835 T C 0.712 175.405 174.700 -0.011 0.000 0.992 835 T CA 1.680 63.772 62.100 -0.014 0.000 4.076 835 T CB -1.324 67.546 68.868 0.004 0.000 2.303 835 T HN 0.419 nan 8.240 nan 0.000 0.398 836 M N -0.292 119.305 119.600 -0.005 0.000 2.561 836 M HA 0.706 5.186 4.480 -0.000 0.000 0.266 836 M C 0.827 177.135 176.300 0.013 0.000 0.983 836 M CA -0.911 54.390 55.300 0.001 0.000 1.080 836 M CB 0.935 33.531 32.600 -0.007 0.000 1.554 836 M HN 0.541 nan 8.290 nan 0.000 0.604 837 R N 0.110 120.612 120.500 0.003 0.000 2.547 837 R HA 0.264 4.604 4.340 -0.000 0.000 0.258 837 R C -1.070 175.210 176.300 -0.033 0.000 1.115 837 R CA -0.242 55.857 56.100 -0.001 0.000 1.152 837 R CB -1.246 29.039 30.300 -0.026 0.000 1.221 837 R HN 0.685 nan 8.270 nan 0.000 0.539 838 E N 0.432 120.615 120.200 -0.028 0.000 2.384 838 E HA 0.460 4.810 4.350 -0.000 0.000 0.266 838 E C 0.421 176.991 176.600 -0.050 0.000 1.012 838 E CA 0.028 56.396 56.400 -0.053 0.000 0.901 838 E CB 0.697 30.357 29.700 -0.067 0.000 0.967 838 E HN 0.430 nan 8.360 nan 0.000 0.435 839 G N 1.743 110.496 108.800 -0.079 0.000 2.353 839 G HA2 0.071 4.031 3.960 -0.000 0.000 0.424 839 G HA3 0.071 4.031 3.960 -0.000 0.000 0.424 839 G C -1.738 173.097 174.900 -0.108 0.000 1.320 839 G CA -0.715 44.339 45.100 -0.077 0.000 0.995 839 G HN 0.739 nan 8.290 nan 0.000 0.580 840 Q N -0.689 119.048 119.800 -0.106 0.000 2.321 840 Q HA 0.760 5.100 4.340 -0.000 0.000 0.270 840 Q C -0.114 175.820 176.000 -0.109 0.000 1.032 840 Q CA -0.517 55.190 55.803 -0.160 0.000 0.784 840 Q CB 2.259 30.861 28.738 -0.226 0.000 1.264 840 Q HN 1.863 nan 8.270 nan 0.000 0.448 841 A N 3.251 126.035 122.820 -0.060 0.000 2.491 841 A HA 0.294 4.614 4.320 -0.000 0.000 0.261 841 A C -1.341 176.288 177.584 0.075 0.000 1.101 841 A CA 0.097 52.226 52.037 0.153 0.000 0.772 841 A CB -0.157 19.041 19.000 0.332 0.000 1.043 841 A HN 0.648 nan 8.150 nan 0.000 0.501 842 Y N 3.524 123.923 120.300 0.165 0.000 2.609 842 Y HA 0.323 4.873 4.550 -0.000 0.000 0.350 842 Y C -2.391 173.678 175.900 0.281 0.000 1.050 842 Y CA -2.973 55.230 58.100 0.172 0.000 1.290 842 Y CB 1.231 39.730 38.460 0.065 0.000 1.094 842 Y HN 0.530 nan 8.280 nan 0.000 0.583 843 P HA -0.076 nan 4.420 nan 0.000 0.255 843 P C 0.377 177.795 177.300 0.196 0.000 1.141 843 P CA 1.493 64.729 63.100 0.227 0.000 0.767 843 P CB 0.181 31.976 31.700 0.159 0.000 0.726 844 A N 4.000 126.909 122.820 0.147 0.000 6.071 844 A HA -0.249 4.071 4.320 -0.000 0.000 0.652 844 A C 1.065 178.652 177.584 0.006 0.000 1.912 844 A CA 1.408 53.494 52.037 0.083 0.000 2.167 844 A CB -1.102 17.881 19.000 -0.029 0.000 1.405 844 A HN 0.746 nan 8.150 nan 0.000 0.732 845 N N -1.797 116.959 118.700 0.093 0.000 2.183 845 N HA 0.233 4.973 4.740 -0.000 0.000 0.214 845 N C -0.593 175.071 175.510 0.258 0.000 1.441 845 N CA 1.028 54.061 53.050 -0.029 0.000 1.255 845 N CB -0.057 38.065 38.487 -0.610 0.000 1.072 845 N HN 1.798 nan 8.380 nan 0.000 0.650 846 F N -0.884 118.993 119.950 -0.122 0.000 2.822 846 F HA 0.689 5.216 4.527 -0.000 0.000 0.323 846 F C -2.988 172.794 175.800 -0.030 0.000 1.133 846 F CA -1.200 56.745 58.000 -0.093 0.000 0.941 846 F CB -0.573 38.358 39.000 -0.115 0.000 1.263 846 F HN -0.240 nan 8.300 nan 0.000 0.451 847 P HA 0.502 nan 4.420 nan 0.000 0.330 847 P C -1.493 175.885 177.300 0.131 0.000 1.323 847 P CA 0.061 63.142 63.100 -0.033 0.000 0.828 847 P CB 1.048 32.706 31.700 -0.071 0.000 2.009 848 Y N -0.670 119.590 120.300 -0.067 0.000 2.528 848 Y HA 0.440 4.990 4.550 -0.000 0.000 0.335 848 Y C -1.844 174.044 175.900 -0.021 0.000 1.093 848 Y CA -2.775 55.303 58.100 -0.036 0.000 1.134 848 Y CB 0.326 38.780 38.460 -0.009 0.000 1.253 848 Y HN 0.169 nan 8.280 nan 0.000 0.478 849 P HA 0.262 nan 4.420 nan 0.000 0.226 849 P C -0.252 177.056 177.300 0.013 0.000 1.832 849 P CA -0.130 62.975 63.100 0.009 0.000 1.092 849 P CB -0.183 31.495 31.700 -0.036 0.000 1.873 850 L N 1.736 122.982 121.223 0.039 0.000 2.478 850 L HA 0.159 4.499 4.340 -0.000 0.000 0.223 850 L C 1.528 178.405 176.870 0.012 0.000 1.140 850 L CA 0.543 55.403 54.840 0.034 0.000 0.842 850 L CB -0.941 41.146 42.059 0.047 0.000 0.953 850 L HN 0.284 nan 8.230 nan 0.000 0.452 851 I N -2.900 117.673 120.570 0.005 0.000 3.709 851 I HA 0.917 5.087 4.170 -0.000 0.000 0.274 851 I C 1.063 177.176 176.117 -0.006 0.000 1.240 851 I CA -0.321 60.979 61.300 -0.001 0.000 1.076 851 I CB 1.089 39.087 38.000 -0.003 0.000 1.389 851 I HN 0.122 nan 8.210 nan 0.000 0.529 852 G N 1.966 110.762 108.800 -0.007 0.000 2.523 852 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.271 852 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.271 852 G C 0.066 174.960 174.900 -0.010 0.000 1.146 852 G CA 0.436 45.531 45.100 -0.009 0.000 0.961 852 G HN 1.029 nan 8.290 nan 0.000 0.549 853 K N 0.087 120.479 120.400 -0.013 0.000 2.676 853 K HA 0.453 4.773 4.320 -0.000 0.000 0.205 853 K C 0.061 176.650 176.600 -0.018 0.000 1.084 853 K CA 0.021 56.300 56.287 -0.013 0.000 1.057 853 K CB 1.028 33.521 32.500 -0.012 0.000 0.791 853 K HN 0.449 nan 8.250 nan 0.000 0.484 854 T N 1.138 115.679 114.554 -0.021 0.000 2.923 854 T HA 0.522 4.872 4.350 -0.000 0.000 0.281 854 T C -0.332 174.352 174.700 -0.027 0.000 0.995 854 T CA -0.711 61.372 62.100 -0.028 0.000 0.985 854 T CB 1.616 70.460 68.868 -0.040 0.000 1.114 854 T HN 0.276 nan 8.240 nan 0.000 0.548 855 A N 1.533 124.332 122.820 -0.035 0.000 2.802 855 A HA 0.631 4.951 4.320 -0.000 0.000 0.344 855 A C -0.415 177.138 177.584 -0.052 0.000 1.215 855 A CA -0.587 51.426 52.037 -0.041 0.000 0.821 855 A CB 0.000 18.972 19.000 -0.047 0.000 1.099 855 A HN 0.633 nan 8.150 nan 0.000 0.479 856 V N 1.383 121.280 119.914 -0.028 0.000 2.769 856 V HA 0.734 4.854 4.120 -0.000 0.000 0.312 856 V C -1.427 174.671 176.094 0.007 0.000 1.061 856 V CA -0.858 61.441 62.300 -0.001 0.000 0.931 856 V CB 2.098 33.954 31.823 0.055 0.000 1.010 856 V HN 0.764 nan 8.190 nan 0.000 0.433 857 D N 4.502 124.907 120.400 0.010 0.000 2.192 857 D HA 0.725 5.365 4.640 -0.000 0.000 0.246 857 D C 0.133 176.461 176.300 0.047 0.000 1.042 857 D CA -0.233 53.771 54.000 0.007 0.000 0.847 857 D CB 1.956 42.736 40.800 -0.034 0.000 1.186 857 D HN 0.839 nan 8.370 nan 0.000 0.461 858 S N 1.682 117.400 115.700 0.029 0.000 4.199 858 S HA 0.694 5.164 4.470 -0.000 0.000 0.257 858 S C -0.601 174.002 174.600 0.006 0.000 1.079 858 S CA -0.671 57.547 58.200 0.031 0.000 1.498 858 S CB 0.451 63.678 63.200 0.046 0.000 1.260 858 S HN 0.578 nan 8.310 nan 0.000 0.749 859 I N -0.270 120.303 120.570 0.004 0.000 3.437 859 I HA 0.490 4.660 4.170 -0.000 0.000 0.319 859 I C -1.634 174.484 176.117 0.002 0.000 1.259 859 I CA -0.813 60.485 61.300 -0.003 0.000 0.927 859 I CB 1.965 39.957 38.000 -0.012 0.000 1.322 859 I HN 0.903 nan 8.210 nan 0.000 0.473 860 T N 1.387 115.944 114.554 0.005 0.000 2.786 860 T HA 0.477 4.827 4.350 -0.000 0.000 0.283 860 T C -0.893 173.826 174.700 0.032 0.000 0.992 860 T CA -0.417 61.693 62.100 0.017 0.000 0.954 860 T CB 1.400 70.280 68.868 0.020 0.000 0.934 860 T HN 0.420 nan 8.240 nan 0.000 0.440 861 Q N 2.724 122.551 119.800 0.045 0.000 2.456 861 Q HA 0.404 4.744 4.340 -0.000 0.000 0.252 861 Q C -1.031 175.086 176.000 0.195 0.000 1.042 861 Q CA -0.420 55.439 55.803 0.093 0.000 0.766 861 Q CB 0.516 29.286 28.738 0.053 0.000 1.196 861 Q HN 0.549 nan 8.270 nan 0.000 0.504 862 K N 2.513 123.027 120.400 0.189 0.000 2.156 862 K HA 0.649 4.969 4.320 -0.000 0.000 0.254 862 K C -0.895 175.829 176.600 0.205 0.000 0.950 862 K CA -0.817 55.599 56.287 0.214 0.000 0.849 862 K CB 1.813 34.392 32.500 0.132 0.000 1.100 862 K HN 0.295 nan 8.250 nan 0.000 0.434 863 K N 1.496 121.992 120.400 0.160 0.000 2.551 863 K HA 0.340 4.660 4.320 -0.000 0.000 0.269 863 K C -1.108 175.579 176.600 0.146 0.000 0.949 863 K CA -0.712 55.622 56.287 0.078 0.000 0.849 863 K CB 1.372 33.713 32.500 -0.266 0.000 1.411 863 K HN 0.565 nan 8.250 nan 0.000 0.432 864 F N 0.158 120.085 119.950 -0.038 0.000 2.690 864 F HA 0.827 5.354 4.527 -0.000 0.000 0.332 864 F C -0.874 174.971 175.800 0.074 0.000 1.215 864 F CA -1.056 57.000 58.000 0.092 0.000 1.086 864 F CB 0.667 39.801 39.000 0.223 0.000 1.828 864 F HN 0.190 nan 8.300 nan 0.000 0.519 865 L N 1.810 122.785 121.223 -0.414 0.000 4.934 865 L HA 0.117 4.457 4.340 -0.000 0.000 0.234 865 L C -1.105 175.835 176.870 0.116 0.000 1.125 865 L CA -0.345 54.175 54.840 -0.533 0.000 1.318 865 L CB 0.004 41.863 42.059 -0.332 0.000 1.793 865 L HN 1.024 nan 8.230 nan 0.000 0.646 866 C N 1.628 120.914 119.300 -0.022 0.000 2.358 866 C HA 0.893 5.353 4.460 -0.000 0.000 0.354 866 C C 0.762 175.744 174.990 -0.014 0.000 1.183 866 C CA 0.164 59.298 59.018 0.192 0.000 2.150 866 C CB 1.163 28.974 27.740 0.118 0.000 2.361 866 C HN 0.908 nan 8.230 nan 0.000 0.535 867 D N -0.032 120.389 120.400 0.035 0.000 2.573 867 D HA 0.105 4.745 4.640 -0.000 0.000 0.118 867 D C 1.855 178.172 176.300 0.028 0.000 1.480 867 D CA -0.141 53.856 54.000 -0.004 0.000 1.470 867 D CB -0.184 40.650 40.800 0.058 0.000 2.083 867 D HN 0.538 nan 8.370 nan 0.000 0.220 868 R N 0.741 121.287 120.500 0.078 0.000 2.113 868 R HA -0.016 4.324 4.340 -0.000 0.000 0.231 868 R C 0.602 176.835 176.300 -0.113 0.000 1.129 868 R CA 1.101 57.206 56.100 0.009 0.000 0.915 868 R CB -1.084 29.217 30.300 0.002 0.000 0.837 868 R HN 0.139 nan 8.270 nan 0.000 0.430 869 T N 2.270 116.727 114.554 -0.162 0.000 2.851 869 T HA 0.337 4.687 4.350 -0.000 0.000 0.298 869 T C 0.519 174.892 174.700 -0.545 0.000 0.977 869 T CA -0.145 61.743 62.100 -0.354 0.000 1.126 869 T CB 0.561 69.151 68.868 -0.463 0.000 0.916 869 T HN 0.064 nan 8.240 nan 0.000 0.529 870 L N 1.785 122.666 121.223 -0.569 0.000 2.798 870 L HA 0.778 5.118 4.340 -0.000 0.000 0.230 870 L C -0.617 176.198 176.870 -0.093 0.000 1.868 870 L CA -1.419 52.947 54.840 -0.788 0.000 2.126 870 L CB 0.573 41.934 42.059 -1.163 0.000 2.569 870 L HN 0.642 nan 8.230 nan 0.000 0.592 871 W N -1.064 120.315 121.300 0.131 0.000 2.551 871 W HA 0.776 5.436 4.660 -0.000 0.000 0.330 871 W C -0.436 176.192 176.519 0.183 0.000 1.063 871 W CA -0.702 56.778 57.345 0.225 0.000 1.222 871 W CB 0.968 30.574 29.460 0.244 0.000 1.349 871 W HN 0.088 nan 8.180 nan 0.000 0.536 872 R N 3.659 124.381 120.500 0.369 0.000 2.443 872 R HA 0.341 4.681 4.340 -0.000 0.000 0.287 872 R C -0.650 175.815 176.300 0.276 0.000 1.425 872 R CA -0.439 55.818 56.100 0.262 0.000 1.300 872 R CB 0.347 30.761 30.300 0.190 0.000 1.129 872 R HN 0.652 nan 8.270 nan 0.000 0.577 873 I N 0.801 121.575 120.570 0.340 0.000 2.621 873 I HA 0.469 4.639 4.170 -0.000 0.000 0.276 873 I C -2.294 174.225 176.117 0.669 0.000 1.118 873 I CA -2.475 59.086 61.300 0.435 0.000 1.159 873 I CB 0.938 39.001 38.000 0.105 0.000 1.357 873 I HN 0.199 nan 8.210 nan 0.000 0.513 874 P HA -0.095 nan 4.420 nan 0.000 0.316 874 P C -0.270 176.942 177.300 -0.147 0.000 1.413 874 P CA 0.510 63.687 63.100 0.128 0.000 0.828 874 P CB 0.444 32.207 31.700 0.105 0.000 1.787 875 F N -0.393 119.329 119.950 -0.379 0.000 2.334 875 F HA 0.479 5.006 4.527 -0.000 0.000 0.343 875 F C 0.604 176.150 175.800 -0.423 0.000 1.136 875 F CA -0.451 57.289 58.000 -0.434 0.000 1.237 875 F CB -0.463 38.365 39.000 -0.287 0.000 1.525 875 F HN 0.054 nan 8.300 nan 0.000 0.528 876 S N 0.487 115.783 115.700 -0.672 0.000 2.806 876 S HA 0.643 5.113 4.470 -0.000 0.000 0.306 876 S C 0.562 174.774 174.600 -0.647 0.000 1.167 876 S CA -0.226 57.574 58.200 -0.668 0.000 0.847 876 S CB 1.831 64.639 63.200 -0.652 0.000 1.216 876 S HN 0.198 nan 8.310 nan 0.000 0.532 877 S N 0.715 116.210 115.700 -0.341 0.000 2.665 877 S HA 0.128 4.598 4.470 -0.000 0.000 0.240 877 S C 0.898 175.509 174.600 0.019 0.000 1.081 877 S CA 0.119 58.235 58.200 -0.140 0.000 0.887 877 S CB -0.073 63.070 63.200 -0.094 0.000 0.805 877 S HN 0.796 nan 8.310 nan 0.000 0.486 878 N N 0.315 119.041 118.700 0.045 0.000 2.177 878 N HA 0.186 4.926 4.740 -0.000 0.000 0.218 878 N C -0.224 175.438 175.510 0.253 0.000 1.182 878 N CA -0.268 52.887 53.050 0.174 0.000 0.882 878 N CB -0.687 37.905 38.487 0.175 0.000 1.052 878 N HN 0.191 nan 8.380 nan 0.000 0.519 879 F N -0.301 119.677 119.950 0.046 0.000 3.090 879 F HA -0.250 4.277 4.527 0.000 0.000 0.282 879 F C 0.186 176.014 175.800 0.045 0.000 0.923 879 F CA 0.303 58.335 58.000 0.053 0.000 0.977 879 F CB -1.552 37.477 39.000 0.049 0.000 0.954 879 F HN 0.130 nan 8.300 nan 0.000 0.695 880 M N 0.592 120.271 119.600 0.131 0.000 2.135 880 M HA 0.209 4.689 4.480 -0.000 0.000 0.345 880 M C 0.656 176.999 176.300 0.072 0.000 1.340 880 M CA 0.355 55.718 55.300 0.105 0.000 1.162 880 M CB 0.816 33.470 32.600 0.091 0.000 1.570 880 M HN 0.056 nan 8.290 nan 0.000 0.454 881 S N 5.613 121.362 115.700 0.082 0.000 2.946 881 S HA 0.076 4.546 4.470 -0.000 0.000 0.349 881 S C 0.111 174.725 174.600 0.024 0.000 1.189 881 S CA 0.315 58.544 58.200 0.047 0.000 1.285 881 S CB -0.263 62.962 63.200 0.041 0.000 1.010 881 S HN 0.571 nan 8.310 nan 0.000 0.538 882 M N 4.631 124.236 119.600 0.008 0.000 2.151 882 M HA 0.213 4.693 4.480 -0.000 0.000 0.349 882 M C 1.445 177.735 176.300 -0.017 0.000 1.284 882 M CA -0.160 55.141 55.300 0.002 0.000 1.173 882 M CB 0.144 32.745 32.600 0.002 0.000 1.469 882 M HN 0.892 nan 8.290 nan 0.000 0.439 883 G N 3.025 111.813 108.800 -0.019 0.000 2.660 883 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.338 883 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.338 883 G C 0.840 175.696 174.900 -0.074 0.000 1.336 883 G CA 0.874 45.952 45.100 -0.037 0.000 0.990 883 G HN 0.777 nan 8.290 nan 0.000 0.537 884 A N -1.091 121.677 122.820 -0.087 0.000 1.855 884 A HA 0.528 4.848 4.320 -0.000 0.000 0.213 884 A C 1.421 178.909 177.584 -0.159 0.000 1.195 884 A CA 2.120 54.067 52.037 -0.150 0.000 0.610 884 A CB -0.245 18.673 19.000 -0.137 0.000 0.837 884 A HN 1.485 nan 8.150 nan 0.000 0.444 885 L N 0.331 121.511 121.223 -0.070 0.000 2.352 885 L HA 0.557 4.897 4.340 -0.000 0.000 0.269 885 L C 0.056 176.939 176.870 0.020 0.000 1.034 885 L CA 0.194 55.034 54.840 0.001 0.000 0.806 885 L CB 1.870 43.963 42.059 0.058 0.000 1.244 885 L HN 0.307 nan 8.230 nan 0.000 0.447 886 T N -1.315 113.278 114.554 0.066 0.000 2.829 886 T HA 0.302 4.652 4.350 -0.000 0.000 0.280 886 T C 0.406 175.116 174.700 0.016 0.000 0.999 886 T CA -0.246 61.876 62.100 0.036 0.000 0.983 886 T CB 1.080 69.972 68.868 0.041 0.000 0.968 886 T HN 0.680 nan 8.240 nan 0.000 0.446 887 D N 1.630 122.013 120.400 -0.029 0.000 2.434 887 D HA -0.189 4.451 4.640 -0.000 0.000 0.217 887 D C 0.914 177.158 176.300 -0.093 0.000 0.979 887 D CA 0.814 54.783 54.000 -0.051 0.000 1.015 887 D CB -0.151 40.610 40.800 -0.065 0.000 0.845 887 D HN 0.578 nan 8.370 nan 0.000 0.496 888 L N -1.328 119.819 121.223 -0.127 0.000 2.806 888 L HA 0.257 4.597 4.340 -0.000 0.000 0.242 888 L C 2.227 178.944 176.870 -0.254 0.000 1.068 888 L CA 0.540 55.211 54.840 -0.281 0.000 0.923 888 L CB 0.051 41.751 42.059 -0.599 0.000 1.364 888 L HN 0.121 nan 8.230 nan 0.000 0.511 889 G N 0.209 109.020 108.800 0.018 0.000 2.601 889 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.214 889 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.214 889 G C 0.716 175.737 174.900 0.201 0.000 1.132 889 G CA 0.473 45.696 45.100 0.204 0.000 0.761 889 G HN 0.547 nan 8.290 nan 0.000 0.550 890 Q N -0.527 119.378 119.800 0.174 0.000 2.129 890 Q HA 0.213 4.553 4.340 -0.000 0.000 0.274 890 Q C 0.682 176.765 176.000 0.139 0.000 0.854 890 Q CA -0.349 55.560 55.803 0.177 0.000 1.123 890 Q CB 0.117 28.908 28.738 0.088 0.000 1.226 890 Q HN 0.368 nan 8.270 nan 0.000 0.454 891 N N 1.464 120.312 118.700 0.247 0.000 2.322 891 N HA 0.086 4.826 4.740 -0.000 0.000 0.216 891 N C -0.123 175.272 175.510 -0.193 0.000 1.144 891 N CA 0.205 53.251 53.050 -0.007 0.000 0.830 891 N CB 0.170 38.628 38.487 -0.049 0.000 1.034 891 N HN 0.271 nan 8.380 nan 0.000 0.484 892 L N -1.900 119.259 121.223 -0.106 0.000 6.447 892 L HA -0.375 3.965 4.340 -0.000 0.000 0.053 892 L C 0.370 177.046 176.870 -0.323 0.000 2.588 892 L CA 0.817 55.570 54.840 -0.146 0.000 1.411 892 L CB -1.581 40.396 42.059 -0.137 0.000 2.990 892 L HN 0.001 nan 8.230 nan 0.000 1.106 893 L N -0.281 120.746 121.223 -0.326 0.000 8.254 893 L HA -0.196 4.144 4.340 -0.000 0.000 0.397 893 L C 0.443 177.088 176.870 -0.375 0.000 1.804 893 L CA 1.116 55.773 54.840 -0.304 0.000 0.402 893 L CB -1.790 40.105 42.059 -0.274 0.000 1.395 893 L HN 0.346 nan 8.230 nan 0.000 0.180 894 Y N -0.021 120.338 120.300 0.098 0.000 2.720 894 Y HA 0.592 5.142 4.550 -0.000 0.000 0.277 894 Y C 1.346 177.320 175.900 0.124 0.000 1.144 894 Y CA -0.111 58.108 58.100 0.197 0.000 1.221 894 Y CB 0.569 39.169 38.460 0.233 0.000 1.163 894 Y HN 0.503 nan 8.280 nan 0.000 0.537 895 A N -0.794 122.105 122.820 0.132 0.000 2.709 895 A HA 0.121 4.441 4.320 -0.000 0.000 0.212 895 A C 0.689 178.263 177.584 -0.016 0.000 1.280 895 A CA 0.130 52.180 52.037 0.022 0.000 1.034 895 A CB -0.287 18.722 19.000 0.014 0.000 1.255 895 A HN 0.317 nan 8.150 nan 0.000 0.547 896 N N -0.353 118.346 118.700 -0.001 0.000 2.177 896 N HA 0.346 5.086 4.740 -0.000 0.000 0.218 896 N C -0.207 175.298 175.510 -0.008 0.000 1.182 896 N CA 0.423 53.464 53.050 -0.016 0.000 0.882 896 N CB 0.710 39.185 38.487 -0.019 0.000 1.052 896 N HN 0.027 nan 8.380 nan 0.000 0.519 897 S N -0.842 114.869 115.700 0.019 0.000 2.556 897 S HA 0.889 5.359 4.470 -0.000 0.000 0.271 897 S C -1.192 173.487 174.600 0.132 0.000 1.135 897 S CA -0.689 57.541 58.200 0.051 0.000 0.858 897 S CB 1.992 65.211 63.200 0.032 0.000 1.114 897 S HN 0.395 nan 8.310 nan 0.000 0.468 898 A N 1.041 123.957 122.820 0.160 0.000 2.524 898 A HA 0.925 5.245 4.320 -0.000 0.000 0.286 898 A C -1.385 176.518 177.584 0.532 0.000 1.203 898 A CA -0.518 51.687 52.037 0.280 0.000 0.736 898 A CB 1.450 20.457 19.000 0.011 0.000 1.322 898 A HN 0.892 nan 8.150 nan 0.000 0.424 899 H N -1.826 117.678 119.070 0.723 0.000 3.064 899 H HA 0.602 5.158 4.556 -0.000 0.000 0.352 899 H C -0.576 175.118 175.328 0.609 0.000 1.260 899 H CA -0.238 56.222 56.048 0.687 0.000 1.160 899 H CB 2.063 32.260 29.762 0.726 0.000 1.879 899 H HN 1.125 nan 8.280 nan 0.000 0.544 900 A N 1.936 125.005 122.820 0.415 0.000 2.486 900 A HA 0.754 5.074 4.320 -0.000 0.000 0.289 900 A C -1.998 175.388 177.584 -0.331 0.000 1.176 900 A CA -0.545 51.557 52.037 0.108 0.000 0.757 900 A CB 2.058 21.117 19.000 0.098 0.000 1.337 900 A HN 0.366 nan 8.150 nan 0.000 0.423 901 L N -0.349 120.675 121.223 -0.331 0.000 2.465 901 L HA 0.610 4.950 4.340 -0.000 0.000 0.257 901 L C -1.874 174.814 176.870 -0.304 0.000 0.988 901 L CA -0.212 54.301 54.840 -0.545 0.000 0.827 901 L CB 2.434 44.020 42.059 -0.788 0.000 1.397 901 L HN 0.648 nan 8.230 nan 0.000 0.410 902 D N 4.221 124.429 120.400 -0.320 0.000 2.456 902 D HA 0.220 4.860 4.640 -0.000 0.000 0.287 902 D C 0.046 176.179 176.300 -0.278 0.000 1.186 902 D CA -0.383 53.474 54.000 -0.239 0.000 0.916 902 D CB 0.982 41.672 40.800 -0.184 0.000 1.029 902 D HN 0.345 nan 8.370 nan 0.000 0.498 903 M N 0.208 119.618 119.600 -0.316 0.000 2.131 903 M HA 0.072 4.552 4.480 -0.000 0.000 0.283 903 M C 0.688 176.646 176.300 -0.570 0.000 1.225 903 M CA 0.718 55.741 55.300 -0.461 0.000 1.153 903 M CB 0.108 32.383 32.600 -0.542 0.000 1.380 903 M HN 0.055 nan 8.290 nan 0.000 0.458 904 T N 2.330 116.449 114.554 -0.725 0.000 4.341 904 T HA 0.218 4.568 4.350 -0.000 0.000 0.215 904 T C 0.355 174.825 174.700 -0.382 0.000 0.947 904 T CA -0.298 61.496 62.100 -0.510 0.000 1.470 904 T CB -0.621 68.106 68.868 -0.235 0.000 0.786 904 T HN 0.417 nan 8.240 nan 0.000 0.603 905 F N 1.203 121.179 119.950 0.043 0.000 2.411 905 F HA -0.019 4.508 4.527 -0.000 0.000 0.299 905 F C 1.679 177.529 175.800 0.084 0.000 1.077 905 F CA 0.419 58.465 58.000 0.078 0.000 1.439 905 F CB -0.750 38.321 39.000 0.119 0.000 1.085 905 F HN 0.422 nan 8.300 nan 0.000 0.564 906 E N 1.167 121.455 120.200 0.147 0.000 2.209 906 E HA -0.249 4.101 4.350 -0.000 0.000 0.223 906 E C 0.323 177.009 176.600 0.145 0.000 1.431 906 E CA 0.207 56.675 56.400 0.114 0.000 0.708 906 E CB -0.662 29.063 29.700 0.041 0.000 1.133 906 E HN 0.454 nan 8.360 nan 0.000 0.358 907 V N -1.333 118.716 119.914 0.226 0.000 3.264 907 V HA 0.127 4.247 4.120 -0.000 0.000 0.304 907 V C 0.375 176.566 176.094 0.161 0.000 1.086 907 V CA -0.081 62.346 62.300 0.211 0.000 1.090 907 V CB 1.133 33.151 31.823 0.326 0.000 1.112 907 V HN 0.273 nan 8.190 nan 0.000 0.472 908 D N 2.375 122.850 120.400 0.125 0.000 2.425 908 D HA 0.324 4.964 4.640 -0.000 0.000 0.247 908 D C -1.946 174.415 176.300 0.101 0.000 1.147 908 D CA -0.909 53.147 54.000 0.093 0.000 0.879 908 D CB 0.110 40.950 40.800 0.067 0.000 1.179 908 D HN 0.600 nan 8.370 nan 0.000 0.456 909 P HA 0.026 nan 4.420 nan 0.000 0.310 909 P C -0.484 176.862 177.300 0.076 0.000 1.309 909 P CA -0.395 62.759 63.100 0.089 0.000 0.753 909 P CB 0.539 32.283 31.700 0.074 0.000 1.491 910 M N -0.240 119.402 119.600 0.070 0.000 2.433 910 M HA 0.104 4.584 4.480 -0.000 0.000 0.290 910 M C 0.823 177.153 176.300 0.050 0.000 1.173 910 M CA -0.568 54.769 55.300 0.063 0.000 0.905 910 M CB 2.243 34.891 32.600 0.079 0.000 1.692 910 M HN 0.331 nan 8.290 nan 0.000 0.462 911 D N 1.146 121.569 120.400 0.038 0.000 2.332 911 D HA -0.167 4.473 4.640 -0.000 0.000 0.209 911 D C -0.005 176.315 176.300 0.033 0.000 0.988 911 D CA 1.452 55.466 54.000 0.024 0.000 0.912 911 D CB 0.421 41.226 40.800 0.009 0.000 0.899 911 D HN 0.424 nan 8.370 nan 0.000 0.477 912 E N -0.163 120.065 120.200 0.046 0.000 2.446 912 E HA 0.423 4.773 4.350 -0.000 0.000 0.267 912 E C -2.744 173.892 176.600 0.060 0.000 0.955 912 E CA -2.047 54.383 56.400 0.050 0.000 0.842 912 E CB 1.827 31.558 29.700 0.052 0.000 1.504 912 E HN -0.070 nan 8.360 nan 0.000 0.438 913 P HA 0.232 nan 4.420 nan 0.000 0.284 913 P C -0.637 176.718 177.300 0.093 0.000 1.253 913 P CA -0.170 62.974 63.100 0.072 0.000 0.800 913 P CB 0.647 32.385 31.700 0.062 0.000 0.961 914 T N 1.012 115.630 114.554 0.106 0.000 2.948 914 T HA 0.799 5.149 4.350 -0.000 0.000 0.285 914 T C -0.232 174.549 174.700 0.135 0.000 1.019 914 T CA -0.848 61.330 62.100 0.130 0.000 1.013 914 T CB 0.822 69.770 68.868 0.133 0.000 1.117 914 T HN 0.179 nan 8.240 nan 0.000 0.533 915 L N 0.620 121.935 121.223 0.153 0.000 2.424 915 L HA 0.658 4.998 4.340 -0.000 0.000 0.258 915 L C -1.027 175.945 176.870 0.170 0.000 0.995 915 L CA -1.224 53.709 54.840 0.154 0.000 0.821 915 L CB 2.335 44.480 42.059 0.143 0.000 1.383 915 L HN 0.619 nan 8.230 nan 0.000 0.410 916 L N 0.573 121.894 121.223 0.162 0.000 2.341 916 L HA 0.652 4.992 4.340 -0.000 0.000 0.267 916 L C -1.508 175.505 176.870 0.238 0.000 1.022 916 L CA -0.205 54.723 54.840 0.146 0.000 0.844 916 L CB 1.853 43.905 42.059 -0.013 0.000 1.436 916 L HN 0.446 nan 8.230 nan 0.000 0.483 917 Y N 0.224 120.569 120.300 0.076 0.000 2.545 917 Y HA 0.735 5.285 4.550 -0.000 0.000 0.348 917 Y C -1.302 174.675 175.900 0.129 0.000 1.002 917 Y CA -0.978 57.183 58.100 0.102 0.000 1.039 917 Y CB 2.166 40.713 38.460 0.146 0.000 1.271 917 Y HN 0.280 nan 8.280 nan 0.000 0.467 918 V N 6.860 126.342 119.914 -0.722 0.000 2.675 918 V HA 0.319 4.439 4.120 -0.000 0.000 0.266 918 V C -1.223 174.509 176.094 -0.603 0.000 0.974 918 V CA -0.544 61.517 62.300 -0.397 0.000 0.890 918 V CB 1.195 32.882 31.823 -0.226 0.000 1.055 918 V HN 0.673 nan 8.190 nan 0.000 0.477 919 L N 5.244 126.222 121.223 -0.409 0.000 2.362 919 L HA 0.915 5.255 4.340 -0.000 0.000 0.271 919 L C -1.255 175.605 176.870 -0.016 0.000 1.002 919 L CA -0.511 54.116 54.840 -0.355 0.000 0.818 919 L CB 1.986 44.003 42.059 -0.070 0.000 1.298 919 L HN 0.533 nan 8.230 nan 0.000 0.420 920 F N 0.830 120.718 119.950 -0.102 0.000 2.507 920 F HA 0.469 4.996 4.527 -0.000 0.000 0.328 920 F C 0.393 175.927 175.800 -0.443 0.000 1.136 920 F CA -0.873 56.925 58.000 -0.336 0.000 0.930 920 F CB 1.124 39.551 39.000 -0.955 0.000 1.166 920 F HN 0.528 nan 8.300 nan 0.000 0.436 921 E N 2.614 122.761 120.200 -0.088 0.000 2.385 921 E HA 0.054 4.404 4.350 -0.000 0.000 0.201 921 E C 0.876 177.436 176.600 -0.066 0.000 1.250 921 E CA -0.275 56.086 56.400 -0.066 0.000 1.104 921 E CB -0.092 29.635 29.700 0.045 0.000 1.174 921 E HN 0.654 nan 8.360 nan 0.000 0.461 922 V N -1.613 118.210 119.914 -0.152 0.000 4.133 922 V HA -0.105 4.015 4.120 -0.000 0.000 0.282 922 V C 0.784 177.109 176.094 0.386 0.000 0.965 922 V CA 0.221 62.539 62.300 0.031 0.000 0.988 922 V CB -0.009 31.793 31.823 -0.035 0.000 1.195 922 V HN -0.003 nan 8.190 nan 0.000 0.445 923 F N -0.555 119.322 119.950 -0.122 0.000 2.656 923 F HA 0.818 5.345 4.527 -0.000 0.000 0.394 923 F C 0.072 175.793 175.800 -0.132 0.000 1.168 923 F CA -1.135 56.788 58.000 -0.130 0.000 1.135 923 F CB 0.065 39.017 39.000 -0.080 0.000 1.480 923 F HN 0.915 nan 8.300 nan 0.000 0.500 924 D N -0.441 120.022 120.400 0.105 0.000 2.522 924 D HA 0.444 5.084 4.640 -0.000 0.000 0.118 924 D C -1.810 174.484 176.300 -0.010 0.000 0.795 924 D CA -0.025 53.995 54.000 0.033 0.000 1.375 924 D CB -0.040 40.715 40.800 -0.073 0.000 4.580 924 D HN 0.418 nan 8.370 nan 0.000 0.780 925 V N 0.984 121.006 119.914 0.180 0.000 3.098 925 V HA 0.907 5.027 4.120 -0.000 0.000 0.310 925 V C -0.241 176.009 176.094 0.260 0.000 1.515 925 V CA -0.367 62.089 62.300 0.259 0.000 1.020 925 V CB 1.424 33.340 31.823 0.155 0.000 1.053 925 V HN 0.994 nan 8.190 nan 0.000 0.476 926 V N -2.031 118.015 119.914 0.220 0.000 3.242 926 V HA 0.822 4.942 4.120 -0.000 0.000 0.298 926 V C -0.853 175.309 176.094 0.113 0.000 1.352 926 V CA -0.756 61.618 62.300 0.125 0.000 1.052 926 V CB 2.067 33.922 31.823 0.052 0.000 1.101 926 V HN 0.942 nan 8.190 nan 0.000 0.446 927 R N 0.184 120.723 120.500 0.065 0.000 3.378 927 R HA 0.916 5.256 4.340 -0.000 0.000 0.224 927 R C -0.452 175.869 176.300 0.034 0.000 1.689 927 R CA 0.081 56.223 56.100 0.070 0.000 0.985 927 R CB 1.752 32.097 30.300 0.076 0.000 1.957 927 R HN 0.658 nan 8.270 nan 0.000 0.541 928 V N -0.521 119.422 119.914 0.048 0.000 3.699 928 V HA 0.087 4.207 4.120 -0.000 0.000 0.323 928 V C -0.303 175.835 176.094 0.074 0.000 1.574 928 V CA -0.400 61.915 62.300 0.025 0.000 1.240 928 V CB -0.135 31.696 31.823 0.013 0.000 1.014 928 V HN 0.791 nan 8.190 nan 0.000 0.469 929 H N 2.765 121.822 119.070 -0.021 0.000 3.283 929 H HA -0.095 4.461 4.556 -0.000 0.000 0.203 929 H C 0.781 176.081 175.328 -0.048 0.000 0.731 929 H CA 0.094 56.124 56.048 -0.030 0.000 1.361 929 H CB 0.231 29.976 29.762 -0.028 0.000 1.504 929 H HN 0.369 nan 8.280 nan 0.000 0.497 930 R N 7.774 128.397 120.500 0.205 0.000 2.755 930 R HA 0.200 4.540 4.340 -0.000 0.000 0.268 930 R C -2.161 174.206 176.300 0.112 0.000 1.295 930 R CA -1.962 54.200 56.100 0.104 0.000 1.379 930 R CB 0.407 30.747 30.300 0.066 0.000 1.170 930 R HN 0.484 nan 8.270 nan 0.000 0.584 931 P HA -0.052 nan 4.420 nan 0.000 0.196 931 P C -0.422 176.818 177.300 -0.100 0.000 1.130 931 P CA 0.644 63.698 63.100 -0.078 0.000 0.860 931 P CB -0.132 31.397 31.700 -0.285 0.000 0.705 932 H N -1.047 118.078 119.070 0.092 0.000 2.836 932 H HA 0.209 4.765 4.556 -0.000 0.000 0.368 932 H C 0.601 175.967 175.328 0.064 0.000 1.164 932 H CA -0.758 55.329 56.048 0.064 0.000 1.425 932 H CB -0.174 29.617 29.762 0.049 0.000 1.414 932 H HN 0.054 nan 8.280 nan 0.000 0.614 933 R N 1.979 122.578 120.500 0.165 0.000 4.360 933 R HA -0.179 4.161 4.340 -0.000 0.000 0.119 933 R C 0.435 176.798 176.300 0.105 0.000 0.311 933 R CA 0.373 56.534 56.100 0.102 0.000 0.816 933 R CB -1.569 28.772 30.300 0.068 0.000 1.070 933 R HN 1.058 nan 8.270 nan 0.000 0.227 934 G N 2.923 111.787 108.800 0.107 0.000 2.089 934 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.250 934 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.250 934 G C -0.436 174.623 174.900 0.265 0.000 0.772 934 G CA 0.423 45.623 45.100 0.167 0.000 1.141 934 G HN 0.620 nan 8.290 nan 0.000 0.356 935 V N 3.517 123.557 119.914 0.211 0.000 2.623 935 V HA 0.610 4.730 4.120 -0.000 0.000 0.304 935 V C 0.354 176.493 176.094 0.075 0.000 1.054 935 V CA -0.833 61.589 62.300 0.202 0.000 0.882 935 V CB 1.834 33.748 31.823 0.153 0.000 1.002 935 V HN 0.489 nan 8.190 nan 0.000 0.424 936 I N 3.030 123.613 120.570 0.022 0.000 2.846 936 I HA 0.704 4.875 4.170 -0.000 0.000 0.307 936 I C -0.519 175.539 176.117 -0.098 0.000 1.053 936 I CA -0.748 60.501 61.300 -0.084 0.000 1.050 936 I CB 2.494 40.400 38.000 -0.156 0.000 1.239 936 I HN 0.490 nan 8.210 nan 0.000 0.439 937 E N 2.726 122.845 120.200 -0.134 0.000 2.307 937 E HA 0.503 4.853 4.350 -0.000 0.000 0.280 937 E C -1.715 174.821 176.600 -0.107 0.000 0.900 937 E CA -0.449 55.881 56.400 -0.117 0.000 0.790 937 E CB 2.757 32.374 29.700 -0.138 0.000 1.261 937 E HN 0.786 nan 8.360 nan 0.000 0.405 938 T N -0.442 114.058 114.554 -0.091 0.000 2.886 938 T HA 0.520 4.870 4.350 -0.000 0.000 0.330 938 T C -0.453 174.181 174.700 -0.110 0.000 1.488 938 T CA -0.774 61.275 62.100 -0.084 0.000 1.054 938 T CB 1.527 70.338 68.868 -0.095 0.000 1.348 938 T HN 0.340 nan 8.240 nan 0.000 0.489 939 V N -0.884 118.980 119.914 -0.083 0.000 3.084 939 V HA 0.775 4.895 4.120 -0.000 0.000 0.311 939 V C -0.762 175.296 176.094 -0.059 0.000 1.311 939 V CA -1.090 61.161 62.300 -0.081 0.000 1.062 939 V CB 0.937 32.818 31.823 0.097 0.000 1.113 939 V HN 0.936 nan 8.190 nan 0.000 0.468 940 Y N -0.460 119.915 120.300 0.126 0.000 2.984 940 Y HA 0.784 5.334 4.550 -0.000 0.000 0.193 940 Y C -0.058 175.922 175.900 0.133 0.000 0.897 940 Y CA -0.229 57.970 58.100 0.166 0.000 1.183 940 Y CB -0.058 38.520 38.460 0.195 0.000 1.064 940 Y HN 0.550 nan 8.280 nan 0.000 0.462 941 L N 1.271 122.693 121.223 0.331 0.000 2.219 941 L HA -0.163 4.177 4.340 -0.000 0.000 0.644 941 L C 0.540 177.517 176.870 0.179 0.000 1.007 941 L CA -0.093 54.864 54.840 0.195 0.000 1.349 941 L CB -0.758 41.391 42.059 0.150 0.000 2.072 941 L HN 0.597 nan 8.230 nan 0.000 0.986 942 R N 1.721 122.319 120.500 0.163 0.000 2.081 942 R HA 0.116 4.456 4.340 -0.000 0.000 0.080 942 R C -0.171 176.207 176.300 0.131 0.000 0.455 942 R CA 1.578 57.768 56.100 0.150 0.000 1.953 942 R CB 0.070 30.456 30.300 0.144 0.000 0.461 942 R HN 0.710 nan 8.270 nan 0.000 0.717 943 T N -0.102 114.538 114.554 0.144 0.000 3.160 943 T HA 0.253 4.603 4.350 -0.000 0.000 0.344 943 T C -2.364 172.293 174.700 -0.072 0.000 0.981 943 T CA -1.181 60.901 62.100 -0.030 0.000 1.170 943 T CB 2.203 70.941 68.868 -0.218 0.000 1.016 943 T HN 0.410 nan 8.240 nan 0.000 0.492 944 P HA 0.230 nan 4.420 nan 0.000 0.218 944 P C 0.284 177.528 177.300 -0.093 0.000 1.140 944 P CA -0.195 62.746 63.100 -0.265 0.000 0.883 944 P CB -0.157 31.307 31.700 -0.394 0.000 0.828 945 F N 2.220 122.085 119.950 -0.142 0.000 2.118 945 F HA 0.075 4.602 4.527 -0.000 0.000 0.407 945 F C 1.082 176.844 175.800 -0.063 0.000 0.793 945 F CA 1.007 58.936 58.000 -0.118 0.000 1.036 945 F CB -1.813 37.109 39.000 -0.130 0.000 0.824 945 F HN 0.270 nan 8.300 nan 0.000 0.552 946 S N 0.314 116.080 115.700 0.110 0.000 2.843 946 S HA 0.475 4.945 4.470 -0.000 0.000 0.275 946 S C -0.949 173.673 174.600 0.037 0.000 0.814 946 S CA -0.946 57.298 58.200 0.073 0.000 0.912 946 S CB -0.214 63.035 63.200 0.082 0.000 1.150 946 S HN 1.849 nan 8.310 nan 0.000 0.502 947 A N 1.739 124.580 122.820 0.036 0.000 2.899 947 A HA 0.554 4.874 4.320 -0.000 0.000 0.287 947 A C 1.204 178.804 177.584 0.027 0.000 1.715 947 A CA 0.108 52.159 52.037 0.024 0.000 1.393 947 A CB -1.397 17.617 19.000 0.024 0.000 1.070 947 A HN 1.979 nan 8.150 nan 0.000 0.587 948 G N 3.472 112.282 108.800 0.018 0.000 2.843 948 G HA2 0.072 4.032 3.960 -0.000 0.000 0.275 948 G HA3 0.072 4.032 3.960 -0.000 0.000 0.275 948 G C 0.370 175.282 174.900 0.020 0.000 0.709 948 G CA -0.464 44.648 45.100 0.020 0.000 2.089 948 G HN 0.936 nan 8.290 nan 0.000 0.571 949 N N 0.505 119.221 118.700 0.026 0.000 2.283 949 N HA 0.095 4.835 4.740 -0.000 0.000 0.236 949 N C 0.901 176.426 175.510 0.024 0.000 1.252 949 N CA 0.273 53.338 53.050 0.025 0.000 0.856 949 N CB 0.893 39.398 38.487 0.030 0.000 1.099 949 N HN 0.221 nan 8.380 nan 0.000 0.444 950 A N 1.433 124.266 122.820 0.021 0.000 3.513 950 A HA 0.515 4.835 4.320 -0.000 0.000 0.195 950 A C 0.517 178.116 177.584 0.024 0.000 2.063 950 A CA 0.579 52.628 52.037 0.021 0.000 1.375 950 A CB 0.083 19.093 19.000 0.017 0.000 1.204 950 A HN 0.800 nan 8.150 nan 0.000 0.385 951 T N -2.457 112.110 114.554 0.023 0.000 3.248 951 T HA 0.462 4.812 4.350 -0.000 0.000 0.400 951 T C -0.986 173.728 174.700 0.023 0.000 1.758 951 T CA 0.336 62.451 62.100 0.024 0.000 1.080 951 T CB 0.465 69.351 68.868 0.029 0.000 1.694 951 T HN 1.378 nan 8.240 nan 0.000 0.483 952 T N 0.000 114.568 114.554 0.023 0.000 3.816 952 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 952 T CA 0.000 62.113 62.100 0.021 0.000 1.349 952 T CB 0.000 68.879 68.868 0.017 0.000 0.612 952 T HN 0.000 nan 8.240 nan 0.000 0.658