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 1ftw_1_A DATA FIRST_RESID 13 DATA SEQUENCE ISVRGLAGVE NVTELKKNFN RHLHFTLVKD RNVATPRDYY FALAHTVRDH DATA SEQUENCE LVGRWIRTQQ HYYEKDPKRI YYLSLEFYMG RTLQNTMVNL ALENACDEAT DATA SEQUENCE YQLGLDMEEL EEIEEDAGLG NGGLGRLAAC FLDSMATLGL AAYGYGIRYE DATA SEQUENCE FGIFNQKICG GWQMEEADDW LRYGNPWEKA RPEFTLPVHF YGRVEHTSQG DATA SEQUENCE AKWVDTQVVL AMPYDTPVPG YRNNVVNTMR LWSAKAPNDF NLKDFNVGGY DATA SEQUENCE IQAVLDRNLA ENISRVLYPN DNFFEGKELR LKQEYFVVAA TLQDIIRRFK DATA SEQUENCE SSKFGCRDPV RTNFDAFPDK VAIQLNDTHP SLAIPELMRV LVDLERLDWD DATA SEQUENCE KAWEVTVKTC AYTNHTVIPE ALERWPVHLL ETLLPRHLQI IYEINQRFLN DATA SEQUENCE RVAAAFPGDV DRLRRMSLVE EGAVKRINMA HLCIAGSHAV NGVARIHSEI DATA SEQUENCE LKKTIFKDFY ELEPHKFQNK TNGITPRRWL VLCNPGLAEI IAERIGEEYI DATA SEQUENCE SDLDQLRKLL SYVDDEAFIR DVAKVKQENK LKFAAYLERE YKVHINPNSL DATA SEQUENCE FDVQVKRIHE YKRQLLNCLH VITLYNRIKK EPNKFVVPRT VMIGGKAAPG DATA SEQUENCE YHMAKMIIKL ITAIGDVVNH DPVVGDRLRV IFLENYRVSL AEKVIPAADL DATA SEQUENCE SEQISTAGTE ASGTGNMKFM LNGALTIGTM DGANVEMAEE AGEENFFIFG DATA SEQUENCE MRVEDVDRLD QRGYNAQEYY DRIPELRQII EQLSSGFFSP KQPDLFKDIV DATA SEQUENCE NMLMHHDRFK VFADYEEYVK CQERVSALYK NPREWTRMVI RNIATSGKFS DATA SEQUENCE SDRTIAQYAR EIWGVEPSRQ RLPAPDEKIP 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 13 I HA 0.000 nan 4.170 nan 0.000 0.288 13 I C 0.000 176.106 176.117 -0.018 0.000 1.063 13 I CA 0.000 61.280 61.300 -0.033 0.000 1.566 13 I CB 0.000 37.971 38.000 -0.048 0.000 1.214 14 S N -0.450 115.244 115.700 -0.010 0.000 2.616 14 S HA 0.170 4.631 4.470 -0.014 0.000 0.272 14 S C -1.585 173.018 174.600 0.005 0.000 0.994 14 S CA 0.106 58.307 58.200 0.002 0.000 1.002 14 S CB 0.889 64.090 63.200 0.003 0.000 1.269 14 S HN 0.138 nan 8.310 nan 0.000 0.466 15 V N 4.079 124.002 119.914 0.016 0.000 3.021 15 V HA 0.389 4.501 4.120 -0.014 0.000 0.385 15 V C 0.869 176.971 176.094 0.013 0.000 1.303 15 V CA -0.045 62.264 62.300 0.016 0.000 1.471 15 V CB -0.878 30.963 31.823 0.029 0.000 1.419 15 V HN 0.586 nan 8.190 nan 0.000 0.551 16 R N 1.805 122.306 120.500 0.002 0.000 2.423 16 R HA 0.418 4.750 4.340 -0.014 0.000 0.248 16 R C 0.914 177.205 176.300 -0.015 0.000 1.019 16 R CA 0.572 56.671 56.100 -0.002 0.000 1.119 16 R CB 0.005 30.300 30.300 -0.008 0.000 1.176 16 R HN 0.679 nan 8.270 nan 0.000 0.526 17 G N 0.692 109.483 108.800 -0.015 0.000 2.631 17 G HA2 -0.198 3.753 3.960 -0.014 0.000 0.504 17 G HA3 -0.198 3.753 3.960 -0.014 0.000 0.504 17 G C -1.145 173.739 174.900 -0.025 0.000 1.306 17 G CA -1.066 44.017 45.100 -0.028 0.000 0.897 17 G HN 0.028 nan 8.290 nan 0.000 0.520 18 L N 0.563 121.769 121.223 -0.029 0.000 2.334 18 L HA 0.721 5.052 4.340 -0.014 0.000 0.277 18 L C 1.276 178.131 176.870 -0.025 0.000 1.075 18 L CA 0.087 54.912 54.840 -0.024 0.000 0.804 18 L CB 1.178 43.224 42.059 -0.021 0.000 1.174 18 L HN 1.535 nan 8.230 nan 0.000 0.438 19 A N 2.626 125.433 122.820 -0.022 0.000 3.175 19 A HA 0.556 4.867 4.320 -0.014 0.000 0.289 19 A C 0.831 178.408 177.584 -0.012 0.000 1.429 19 A CA -0.282 51.744 52.037 -0.019 0.000 1.155 19 A CB -0.775 18.212 19.000 -0.023 0.000 1.169 19 A HN 0.790 nan 8.150 nan 0.000 0.574 20 G N -0.252 108.542 108.800 -0.010 0.000 2.474 20 G HA2 0.286 4.238 3.960 -0.014 0.000 0.233 20 G HA3 0.286 4.238 3.960 -0.014 0.000 0.233 20 G C 1.030 175.933 174.900 0.004 0.000 1.278 20 G CA 0.088 45.186 45.100 -0.003 0.000 0.861 20 G HN 0.418 nan 8.290 nan 0.000 0.567 21 V N 1.938 121.856 119.914 0.006 0.000 2.237 21 V HA -0.166 3.946 4.120 -0.014 0.000 0.245 21 V C 2.696 178.800 176.094 0.016 0.000 1.046 21 V CA 2.410 64.716 62.300 0.011 0.000 1.007 21 V CB -0.756 31.073 31.823 0.009 0.000 0.638 21 V HN 0.771 nan 8.190 nan 0.000 0.445 22 E N 0.343 120.553 120.200 0.017 0.000 2.077 22 E HA -0.191 4.150 4.350 -0.014 0.000 0.193 22 E C 2.066 178.687 176.600 0.034 0.000 0.989 22 E CA 1.615 58.030 56.400 0.024 0.000 0.800 22 E CB -0.311 29.403 29.700 0.023 0.000 0.746 22 E HN 0.637 nan 8.360 nan 0.000 0.452 23 N N -1.169 117.550 118.700 0.032 0.000 2.270 23 N HA -0.088 4.644 4.740 -0.014 0.000 0.181 23 N C 1.433 176.969 175.510 0.043 0.000 1.016 23 N CA 0.590 53.666 53.050 0.042 0.000 0.870 23 N CB 0.265 38.765 38.487 0.022 0.000 0.979 23 N HN -0.043 nan 8.380 nan 0.000 0.431 24 V N 0.033 119.964 119.914 0.028 0.000 2.427 24 V HA -0.187 3.925 4.120 -0.014 0.000 0.248 24 V C 1.946 178.064 176.094 0.039 0.000 1.051 24 V CA 1.678 63.995 62.300 0.028 0.000 1.048 24 V CB -0.682 31.152 31.823 0.019 0.000 0.666 24 V HN 0.405 nan 8.190 nan 0.000 0.456 25 T N -0.368 114.209 114.554 0.038 0.000 2.708 25 T HA -0.222 4.120 4.350 -0.014 0.000 0.266 25 T C 1.899 176.634 174.700 0.060 0.000 1.037 25 T CA 1.785 63.910 62.100 0.041 0.000 1.146 25 T CB -0.191 68.697 68.868 0.033 0.000 0.865 25 T HN 0.512 nan 8.240 nan 0.000 0.435 26 E N 0.781 121.023 120.200 0.070 0.000 2.085 26 E HA -0.114 4.227 4.350 -0.014 0.000 0.194 26 E C 1.952 178.631 176.600 0.131 0.000 0.994 26 E CA 0.835 57.290 56.400 0.092 0.000 0.801 26 E CB -0.519 29.243 29.700 0.104 0.000 0.743 26 E HN 0.152 nan 8.360 nan 0.000 0.453 27 L N 1.030 122.338 121.223 0.141 0.000 1.970 27 L HA -0.177 4.155 4.340 -0.014 0.000 0.212 27 L C 2.213 179.196 176.870 0.188 0.000 1.071 27 L CA 1.972 56.922 54.840 0.183 0.000 0.751 27 L CB -1.015 41.120 42.059 0.127 0.000 0.889 27 L HN 0.120 nan 8.230 nan 0.000 0.432 28 K N -0.143 120.328 120.400 0.118 0.000 2.059 28 K HA -0.255 4.057 4.320 -0.014 0.000 0.212 28 K C 1.946 178.656 176.600 0.183 0.000 1.050 28 K CA 2.251 58.602 56.287 0.107 0.000 0.927 28 K CB -0.179 32.343 32.500 0.037 0.000 0.714 28 K HN 0.456 nan 8.250 nan 0.000 0.447 29 K N 0.217 120.701 120.400 0.139 0.000 2.097 29 K HA -0.062 4.250 4.320 -0.014 0.000 0.205 29 K C 1.704 178.396 176.600 0.154 0.000 1.050 29 K CA 1.357 57.722 56.287 0.130 0.000 0.938 29 K CB -0.183 32.366 32.500 0.082 0.000 0.718 29 K HN 0.084 nan 8.250 nan 0.000 0.442 30 N N 0.610 119.412 118.700 0.171 0.000 2.244 30 N HA -0.114 4.617 4.740 -0.014 0.000 0.183 30 N C 1.645 177.317 175.510 0.269 0.000 1.016 30 N CA 1.002 54.148 53.050 0.159 0.000 0.866 30 N CB -0.199 38.395 38.487 0.179 0.000 0.980 30 N HN 0.191 nan 8.380 nan 0.000 0.430 31 F N 2.695 122.754 119.950 0.181 0.000 2.095 31 F HA -0.124 4.395 4.527 -0.014 0.000 0.298 31 F C 2.069 177.985 175.800 0.193 0.000 1.104 31 F CA 1.329 59.454 58.000 0.208 0.000 1.232 31 F CB -0.203 38.888 39.000 0.152 0.000 0.987 31 F HN -0.037 nan 8.300 nan 0.000 0.475 32 N N 0.474 119.400 118.700 0.378 0.000 2.142 32 N HA -0.166 4.565 4.740 -0.014 0.000 0.186 32 N C 2.108 177.697 175.510 0.132 0.000 1.023 32 N CA 0.889 54.080 53.050 0.235 0.000 0.852 32 N CB -0.512 38.098 38.487 0.206 0.000 0.998 32 N HN 0.327 nan 8.380 nan 0.000 0.424 33 R N 0.597 121.174 120.500 0.129 0.000 2.097 33 R HA -0.142 4.189 4.340 -0.014 0.000 0.236 33 R C 1.872 178.253 176.300 0.135 0.000 1.135 33 R CA 1.649 57.848 56.100 0.165 0.000 0.934 33 R CB -0.523 29.768 30.300 -0.015 0.000 0.846 33 R HN 0.468 nan 8.270 nan 0.000 0.431 34 H N -0.304 118.810 119.070 0.073 0.000 2.387 34 H HA -0.146 4.401 4.556 -0.014 0.000 0.299 34 H C 1.861 177.125 175.328 -0.107 0.000 1.090 34 H CA 1.412 57.434 56.048 -0.043 0.000 1.332 34 H CB -0.022 29.675 29.762 -0.108 0.000 1.386 34 H HN 0.097 nan 8.280 nan 0.000 0.516 35 L N -0.021 121.185 121.223 -0.030 0.000 2.083 35 L HA -0.183 4.149 4.340 -0.014 0.000 0.209 35 L C 2.133 178.983 176.870 -0.033 0.000 1.083 35 L CA 1.855 56.643 54.840 -0.087 0.000 0.752 35 L CB -0.496 41.512 42.059 -0.085 0.000 0.899 35 L HN 0.288 nan 8.230 nan 0.000 0.433 36 H N -1.531 117.456 119.070 -0.138 0.000 2.266 36 H HA -0.043 4.504 4.556 -0.014 0.000 0.309 36 H C 1.863 176.992 175.328 -0.331 0.000 1.054 36 H CA 2.239 58.110 56.048 -0.295 0.000 1.328 36 H CB -0.457 29.020 29.762 -0.475 0.000 1.407 36 H HN 0.247 nan 8.280 nan 0.000 0.508 37 F N -0.125 119.820 119.950 -0.008 0.000 2.234 37 F HA -0.105 4.414 4.527 -0.014 0.000 0.299 37 F C 2.580 178.305 175.800 -0.126 0.000 1.087 37 F CA 1.586 59.526 58.000 -0.101 0.000 1.340 37 F CB -0.503 38.465 39.000 -0.053 0.000 1.031 37 F HN 0.226 nan 8.300 nan 0.000 0.500 38 T N -0.734 113.850 114.554 0.049 0.000 2.983 38 T HA 0.047 4.389 4.350 -0.014 0.000 0.250 38 T C 1.672 176.281 174.700 -0.150 0.000 1.037 38 T CA 0.545 62.603 62.100 -0.070 0.000 1.142 38 T CB -0.143 68.651 68.868 -0.124 0.000 0.876 38 T HN -0.044 nan 8.240 nan 0.000 0.455 39 L N 1.157 122.294 121.223 -0.143 0.000 2.477 39 L HA 0.284 4.615 4.340 -0.014 0.000 0.220 39 L C 0.586 177.363 176.870 -0.155 0.000 1.106 39 L CA 0.307 55.051 54.840 -0.160 0.000 0.851 39 L CB -0.648 41.326 42.059 -0.141 0.000 0.994 39 L HN 0.046 nan 8.230 nan 0.000 0.462 40 V N 0.314 120.121 119.914 -0.178 0.000 6.016 40 V HA -0.295 3.817 4.120 -0.014 0.000 0.265 40 V C 0.436 176.422 176.094 -0.180 0.000 0.621 40 V CA 0.808 62.973 62.300 -0.225 0.000 0.592 40 V CB -2.084 29.630 31.823 -0.182 0.000 0.298 40 V HN 0.397 nan 8.190 nan 0.000 0.615 41 K N 1.444 121.749 120.400 -0.159 0.000 2.495 41 K HA 0.676 4.988 4.320 -0.014 0.000 0.268 41 K C -0.741 175.829 176.600 -0.050 0.000 1.008 41 K CA -0.565 55.659 56.287 -0.104 0.000 0.882 41 K CB 2.870 35.305 32.500 -0.108 0.000 1.443 41 K HN 0.630 nan 8.250 nan 0.000 0.447 42 D N 0.426 120.815 120.400 -0.018 0.000 2.738 42 D HA 0.268 4.900 4.640 -0.014 0.000 0.237 42 D C 0.557 176.884 176.300 0.045 0.000 1.123 42 D CA -0.585 53.436 54.000 0.036 0.000 0.856 42 D CB 1.579 42.399 40.800 0.033 0.000 1.552 42 D HN 0.189 nan 8.370 nan 0.000 0.480 43 R N 1.295 121.852 120.500 0.095 0.000 2.257 43 R HA -0.182 4.150 4.340 -0.014 0.000 0.265 43 R C 1.083 177.454 176.300 0.118 0.000 1.191 43 R CA 1.106 57.299 56.100 0.154 0.000 1.010 43 R CB -0.770 29.624 30.300 0.158 0.000 0.883 43 R HN 0.606 nan 8.270 nan 0.000 0.473 44 N N 0.418 119.158 118.700 0.067 0.000 2.494 44 N HA -0.059 4.672 4.740 -0.014 0.000 0.182 44 N C 1.268 176.797 175.510 0.032 0.000 1.076 44 N CA 1.265 54.345 53.050 0.050 0.000 0.908 44 N CB 0.468 38.975 38.487 0.034 0.000 0.967 44 N HN 0.208 nan 8.380 nan 0.000 0.449 45 V N -3.140 116.781 119.914 0.011 0.000 3.382 45 V HA 0.450 4.561 4.120 -0.014 0.000 0.296 45 V C 0.692 176.755 176.094 -0.051 0.000 1.529 45 V CA -0.608 61.685 62.300 -0.011 0.000 1.048 45 V CB -0.127 31.685 31.823 -0.019 0.000 0.878 45 V HN 0.013 nan 8.190 nan 0.000 0.442 46 A N 2.181 124.945 122.820 -0.094 0.000 2.440 46 A HA 0.602 4.913 4.320 -0.014 0.000 0.251 46 A C 0.708 178.115 177.584 -0.295 0.000 1.089 46 A CA 0.853 52.717 52.037 -0.288 0.000 0.779 46 A CB -0.025 18.659 19.000 -0.527 0.000 1.022 46 A HN 0.764 nan 8.150 nan 0.000 0.492 47 T N 0.117 114.510 114.554 -0.270 0.000 2.948 47 T HA 0.598 4.939 4.350 -0.014 0.000 0.285 47 T C -2.133 172.524 174.700 -0.072 0.000 1.019 47 T CA -1.830 60.215 62.100 -0.092 0.000 1.013 47 T CB 1.324 70.187 68.868 -0.008 0.000 1.117 47 T HN 0.230 nan 8.240 nan 0.000 0.533 48 P HA -0.125 nan 4.420 nan 0.000 0.217 48 P C 1.579 179.013 177.300 0.224 0.000 1.151 48 P CA 1.078 64.346 63.100 0.280 0.000 0.849 48 P CB 0.035 31.849 31.700 0.190 0.000 0.787 49 R N -0.122 120.459 120.500 0.135 0.000 2.096 49 R HA -0.139 4.193 4.340 -0.014 0.000 0.235 49 R C 1.670 178.157 176.300 0.312 0.000 1.127 49 R CA 1.764 57.979 56.100 0.192 0.000 0.968 49 R CB -0.642 29.723 30.300 0.108 0.000 0.861 49 R HN 0.102 nan 8.270 nan 0.000 0.440 50 D N -0.356 120.112 120.400 0.114 0.000 2.117 50 D HA -0.177 4.455 4.640 -0.014 0.000 0.198 50 D C 1.727 178.056 176.300 0.048 0.000 0.982 50 D CA 1.282 55.301 54.000 0.032 0.000 0.828 50 D CB -0.360 40.308 40.800 -0.221 0.000 0.967 50 D HN 0.284 nan 8.370 nan 0.000 0.464 51 Y N 0.214 120.625 120.300 0.186 0.000 2.224 51 Y HA -0.221 4.321 4.550 -0.014 0.000 0.289 51 Y C 2.338 178.374 175.900 0.227 0.000 1.146 51 Y CA 0.434 58.686 58.100 0.252 0.000 1.182 51 Y CB -1.093 37.578 38.460 0.352 0.000 0.983 51 Y HN 0.105 nan 8.280 nan 0.000 0.524 52 Y N -0.670 119.777 120.300 0.246 0.000 2.181 52 Y HA -0.255 4.287 4.550 -0.014 0.000 0.288 52 Y C 1.878 177.747 175.900 -0.051 0.000 1.146 52 Y CA 1.158 59.295 58.100 0.063 0.000 1.164 52 Y CB -1.070 37.321 38.460 -0.115 0.000 0.982 52 Y HN 0.058 nan 8.280 nan 0.000 0.515 53 F N 0.113 119.820 119.950 -0.405 0.000 2.163 53 F HA -0.069 4.450 4.527 -0.014 0.000 0.297 53 F C 2.655 178.281 175.800 -0.290 0.000 1.094 53 F CA 1.177 58.889 58.000 -0.481 0.000 1.290 53 F CB -0.804 38.098 39.000 -0.163 0.000 1.017 53 F HN 0.176 nan 8.300 nan 0.000 0.483 54 A N 0.049 122.816 122.820 -0.089 0.000 1.883 54 A HA -0.221 4.091 4.320 -0.014 0.000 0.217 54 A C 2.074 179.551 177.584 -0.178 0.000 1.186 54 A CA 1.781 53.646 52.037 -0.286 0.000 0.624 54 A CB -1.117 17.346 19.000 -0.895 0.000 0.822 54 A HN 0.345 nan 8.150 nan 0.000 0.444 55 L N -0.235 120.987 121.223 -0.003 0.000 1.994 55 L HA -0.083 4.249 4.340 -0.014 0.000 0.208 55 L C 2.768 179.629 176.870 -0.015 0.000 1.071 55 L CA 2.350 57.313 54.840 0.204 0.000 0.745 55 L CB -1.034 41.206 42.059 0.301 0.000 0.892 55 L HN 0.375 nan 8.230 nan 0.000 0.431 56 A N -1.237 121.404 122.820 -0.298 0.000 1.903 56 A HA -0.335 3.976 4.320 -0.014 0.000 0.219 56 A C 2.180 179.432 177.584 -0.554 0.000 1.191 56 A CA 2.302 54.047 52.037 -0.486 0.000 0.638 56 A CB -1.235 17.151 19.000 -1.023 0.000 0.823 56 A HN 0.716 nan 8.150 nan 0.000 0.451 57 H N -0.994 117.773 119.070 -0.505 0.000 2.389 57 H HA -0.051 4.496 4.556 -0.014 0.000 0.299 57 H C 2.365 177.419 175.328 -0.457 0.000 1.081 57 H CA 1.940 57.612 56.048 -0.626 0.000 1.345 57 H CB -0.107 29.031 29.762 -1.041 0.000 1.393 57 H HN 0.496 nan 8.280 nan 0.000 0.520 58 T N -0.393 114.104 114.554 -0.096 0.000 2.777 58 T HA -0.123 4.218 4.350 -0.014 0.000 0.266 58 T C 2.240 177.107 174.700 0.278 0.000 1.040 58 T CA 1.285 63.517 62.100 0.219 0.000 1.141 58 T CB -0.354 68.714 68.868 0.333 0.000 0.868 58 T HN 0.096 nan 8.240 nan 0.000 0.444 59 V N 1.701 121.752 119.914 0.228 0.000 2.358 59 V HA -0.106 4.005 4.120 -0.014 0.000 0.246 59 V C 2.627 178.910 176.094 0.316 0.000 1.047 59 V CA 1.519 64.004 62.300 0.307 0.000 1.035 59 V CB -0.636 31.364 31.823 0.295 0.000 0.658 59 V HN 0.384 nan 8.190 nan 0.000 0.452 60 R N 0.177 120.805 120.500 0.213 0.000 2.120 60 R HA -0.210 4.122 4.340 -0.014 0.000 0.234 60 R C 1.894 178.301 176.300 0.178 0.000 1.123 60 R CA 1.910 58.141 56.100 0.217 0.000 0.975 60 R CB -0.407 29.859 30.300 -0.057 0.000 0.866 60 R HN 0.457 nan 8.270 nan 0.000 0.446 61 D N 0.129 120.613 120.400 0.139 0.000 2.123 61 D HA -0.168 4.464 4.640 -0.014 0.000 0.196 61 D C 1.706 178.016 176.300 0.017 0.000 0.992 61 D CA 1.153 55.199 54.000 0.077 0.000 0.833 61 D CB -0.395 40.429 40.800 0.041 0.000 0.954 61 D HN 0.443 nan 8.370 nan 0.000 0.455 62 H N -0.186 118.955 119.070 0.117 0.000 2.521 62 H HA -0.020 4.527 4.556 -0.014 0.000 0.286 62 H C 1.925 177.300 175.328 0.079 0.000 1.034 62 H CA 0.665 56.765 56.048 0.088 0.000 1.278 62 H CB 0.297 30.102 29.762 0.072 0.000 1.386 62 H HN 0.280 nan 8.280 nan 0.000 0.567 63 L N -1.482 119.853 121.223 0.187 0.000 2.766 63 L HA 0.175 4.506 4.340 -0.014 0.000 0.242 63 L C 1.891 178.878 176.870 0.194 0.000 1.136 63 L CA -0.008 54.914 54.840 0.137 0.000 0.933 63 L CB -0.018 42.077 42.059 0.060 0.000 1.241 63 L HN -0.120 nan 8.230 nan 0.000 0.522 64 V N -2.173 117.876 119.914 0.225 0.000 2.453 64 V HA 0.096 4.208 4.120 -0.014 0.000 0.247 64 V C 2.517 178.736 176.094 0.208 0.000 1.048 64 V CA 1.516 63.999 62.300 0.305 0.000 1.049 64 V CB -1.667 30.291 31.823 0.226 0.000 0.672 64 V HN 0.353 nan 8.190 nan 0.000 0.457 65 G N 0.352 109.228 108.800 0.127 0.000 2.446 65 G HA2 -0.246 3.705 3.960 -0.014 0.000 0.217 65 G HA3 -0.246 3.705 3.960 -0.014 0.000 0.217 65 G C 1.809 176.761 174.900 0.087 0.000 1.168 65 G CA 1.054 46.202 45.100 0.080 0.000 0.771 65 G HN 0.494 nan 8.290 nan 0.000 0.551 66 R N -1.503 119.058 120.500 0.102 0.000 2.092 66 R HA -0.048 4.283 4.340 -0.014 0.000 0.231 66 R C 2.255 178.640 176.300 0.141 0.000 1.119 66 R CA 0.952 57.098 56.100 0.077 0.000 0.970 66 R CB -0.331 29.997 30.300 0.047 0.000 0.864 66 R HN 0.478 nan 8.270 nan 0.000 0.440 67 W N 1.527 122.813 121.300 -0.025 0.000 2.335 67 W HA -0.118 4.534 4.660 -0.014 0.000 0.311 67 W C 1.680 178.176 176.519 -0.037 0.000 1.213 67 W CA 1.056 58.384 57.345 -0.029 0.000 1.274 67 W CB -0.651 28.812 29.460 0.005 0.000 1.148 67 W HN -0.018 nan 8.180 nan 0.000 0.498 68 I N 0.848 121.480 120.570 0.103 0.000 2.226 68 I HA -0.350 3.812 4.170 -0.014 0.000 0.245 68 I C 2.610 178.715 176.117 -0.019 0.000 1.100 68 I CA 1.827 63.104 61.300 -0.039 0.000 1.374 68 I CB -0.465 37.515 38.000 -0.033 0.000 1.057 68 I HN -0.030 nan 8.210 nan 0.000 0.413 69 R N -0.155 120.348 120.500 0.006 0.000 2.115 69 R HA -0.041 4.291 4.340 -0.014 0.000 0.226 69 R C 2.069 178.339 176.300 -0.049 0.000 1.100 69 R CA 1.553 57.649 56.100 -0.007 0.000 0.980 69 R CB -1.186 29.109 30.300 -0.007 0.000 0.875 69 R HN 0.246 nan 8.270 nan 0.000 0.445 70 T N 1.691 116.190 114.554 -0.092 0.000 2.674 70 T HA -0.124 4.218 4.350 -0.014 0.000 0.265 70 T C 1.887 176.331 174.700 -0.426 0.000 1.039 70 T CA 1.263 63.189 62.100 -0.290 0.000 1.150 70 T CB -0.129 68.614 68.868 -0.210 0.000 0.864 70 T HN 0.182 nan 8.240 nan 0.000 0.427 71 Q N 0.770 120.473 119.800 -0.162 0.000 2.084 71 Q HA -0.104 4.227 4.340 -0.014 0.000 0.202 71 Q C 2.388 178.415 176.000 0.045 0.000 0.978 71 Q CA 1.403 57.188 55.803 -0.030 0.000 0.844 71 Q CB -0.581 28.154 28.738 -0.005 0.000 0.898 71 Q HN 0.494 nan 8.270 nan 0.000 0.426 72 Q N 0.116 119.930 119.800 0.024 0.000 2.084 72 Q HA -0.187 4.144 4.340 -0.014 0.000 0.202 72 Q C 1.903 177.999 176.000 0.160 0.000 0.978 72 Q CA 2.055 57.915 55.803 0.096 0.000 0.844 72 Q CB -0.480 28.291 28.738 0.056 0.000 0.898 72 Q HN 0.567 nan 8.270 nan 0.000 0.426 73 H N -0.870 118.185 119.070 -0.026 0.000 2.265 73 H HA -0.202 4.346 4.556 -0.014 0.000 0.295 73 H C 1.262 176.663 175.328 0.121 0.000 1.084 73 H CA 2.479 58.519 56.048 -0.014 0.000 1.261 73 H CB -0.442 29.234 29.762 -0.143 0.000 1.360 73 H HN 0.373 nan 8.280 nan 0.000 0.487 74 Y N -0.999 119.391 120.300 0.151 0.000 2.384 74 Y HA -0.211 4.330 4.550 -0.014 0.000 0.289 74 Y C 2.376 178.325 175.900 0.081 0.000 1.152 74 Y CA 1.042 59.195 58.100 0.087 0.000 1.258 74 Y CB -1.224 37.329 38.460 0.155 0.000 0.979 74 Y HN 0.425 nan 8.280 nan 0.000 0.549 75 Y N 0.928 121.320 120.300 0.153 0.000 2.286 75 Y HA -0.098 4.443 4.550 -0.014 0.000 0.293 75 Y C 2.022 177.939 175.900 0.028 0.000 1.124 75 Y CA 1.325 59.478 58.100 0.089 0.000 1.178 75 Y CB -0.028 38.471 38.460 0.065 0.000 1.010 75 Y HN 0.022 nan 8.280 nan 0.000 0.536 76 E N 0.336 120.473 120.200 -0.106 0.000 2.008 76 E HA -0.143 4.199 4.350 -0.014 0.000 0.191 76 E C 1.984 178.450 176.600 -0.222 0.000 0.986 76 E CA 1.071 57.346 56.400 -0.208 0.000 0.807 76 E CB -0.194 29.447 29.700 -0.099 0.000 0.766 76 E HN 0.314 nan 8.360 nan 0.000 0.450 77 K N 0.848 121.108 120.400 -0.234 0.000 2.148 77 K HA -0.113 4.198 4.320 -0.014 0.000 0.204 77 K C 0.265 176.803 176.600 -0.103 0.000 1.050 77 K CA 0.790 56.965 56.287 -0.186 0.000 0.942 77 K CB -0.563 31.777 32.500 -0.266 0.000 0.724 77 K HN 0.148 nan 8.250 nan 0.000 0.446 78 D N 0.201 120.561 120.400 -0.068 0.000 2.828 78 D HA -0.098 4.533 4.640 -0.014 0.000 0.241 78 D C -2.400 173.904 176.300 0.007 0.000 1.142 78 D CA 0.099 54.088 54.000 -0.019 0.000 0.755 78 D CB -0.250 40.518 40.800 -0.053 0.000 1.014 78 D HN 0.162 nan 8.370 nan 0.000 0.420 79 P HA 0.188 nan 4.420 nan 0.000 0.281 79 P C -0.280 176.999 177.300 -0.034 0.000 1.281 79 P CA -0.744 62.345 63.100 -0.018 0.000 0.811 79 P CB 0.630 32.307 31.700 -0.039 0.000 1.154 80 K N 0.831 121.208 120.400 -0.038 0.000 2.401 80 K HA 0.084 4.395 4.320 -0.014 0.000 0.278 80 K C -0.192 176.324 176.600 -0.139 0.000 1.018 80 K CA -0.023 56.228 56.287 -0.060 0.000 0.981 80 K CB 0.229 32.708 32.500 -0.035 0.000 0.933 80 K HN 0.236 nan 8.250 nan 0.000 0.477 81 R N 3.731 124.124 120.500 -0.179 0.000 2.407 81 R HA 0.364 4.695 4.340 -0.014 0.000 0.303 81 R C -0.613 175.394 176.300 -0.489 0.000 0.981 81 R CA -0.512 55.397 56.100 -0.318 0.000 0.905 81 R CB 0.941 31.057 30.300 -0.307 0.000 1.099 81 R HN 0.520 nan 8.270 nan 0.000 0.459 82 I N 4.373 124.617 120.570 -0.544 0.000 2.321 82 I HA 0.222 4.384 4.170 -0.014 0.000 0.291 82 I C -0.650 175.175 176.117 -0.487 0.000 0.998 82 I CA -0.695 60.237 61.300 -0.614 0.000 1.227 82 I CB 0.800 38.329 38.000 -0.786 0.000 1.368 82 I HN 0.531 nan 8.210 nan 0.000 0.466 83 Y N 5.811 126.067 120.300 -0.073 0.000 2.356 83 Y HA 0.275 4.816 4.550 -0.014 0.000 0.334 83 Y C -0.264 175.737 175.900 0.168 0.000 0.958 83 Y CA -0.770 57.408 58.100 0.131 0.000 1.196 83 Y CB 1.084 39.569 38.460 0.042 0.000 1.137 83 Y HN 0.398 nan 8.280 nan 0.000 0.485 84 Y N 4.660 125.151 120.300 0.318 0.000 2.594 84 Y HA 0.450 4.992 4.550 -0.014 0.000 0.342 84 Y C -1.113 175.061 175.900 0.457 0.000 1.010 84 Y CA -0.943 57.354 58.100 0.329 0.000 1.270 84 Y CB 0.130 38.789 38.460 0.332 0.000 1.125 84 Y HN 0.503 nan 8.280 nan 0.000 0.513 85 L N 4.777 126.069 121.223 0.115 0.000 2.290 85 L HA 0.461 4.792 4.340 -0.014 0.000 0.284 85 L C -0.068 176.815 176.870 0.023 0.000 1.078 85 L CA 0.203 55.155 54.840 0.187 0.000 0.815 85 L CB 1.239 43.368 42.059 0.117 0.000 1.162 85 L HN 0.573 nan 8.230 nan 0.000 0.435 86 S N 2.574 118.379 115.700 0.174 0.000 2.537 86 S HA 0.481 4.943 4.470 -0.014 0.000 0.270 86 S C 0.062 174.753 174.600 0.152 0.000 1.142 86 S CA -0.559 57.636 58.200 -0.008 0.000 0.870 86 S CB 0.968 63.944 63.200 -0.375 0.000 1.112 86 S HN 0.451 nan 8.310 nan 0.000 0.466 87 L N 2.538 123.882 121.223 0.202 0.000 2.591 87 L HA 0.488 4.819 4.340 -0.014 0.000 0.228 87 L C 0.353 177.408 176.870 0.308 0.000 1.133 87 L CA 0.946 55.970 54.840 0.307 0.000 0.880 87 L CB -0.109 42.140 42.059 0.317 0.000 1.033 87 L HN 0.675 nan 8.230 nan 0.000 0.450 88 E N -1.390 118.859 120.200 0.082 0.000 2.292 88 E HA 0.415 4.757 4.350 -0.014 0.000 0.272 88 E C -1.421 175.019 176.600 -0.267 0.000 0.881 88 E CA -0.443 55.983 56.400 0.043 0.000 0.754 88 E CB 1.894 31.610 29.700 0.027 0.000 1.201 88 E HN -0.163 nan 8.360 nan 0.000 0.425 89 F N 2.240 122.290 119.950 0.167 0.000 3.034 89 F HA 0.168 4.687 4.527 -0.014 0.000 0.371 89 F C -0.958 174.923 175.800 0.135 0.000 1.233 89 F CA -0.703 57.388 58.000 0.151 0.000 1.134 89 F CB 0.906 39.989 39.000 0.138 0.000 1.495 89 F HN 0.479 nan 8.300 nan 0.000 0.563 90 Y N 5.136 125.506 120.300 0.117 0.000 2.568 90 Y HA 0.183 4.725 4.550 -0.013 0.000 0.338 90 Y C 1.112 177.031 175.900 0.032 0.000 1.245 90 Y CA -0.895 57.227 58.100 0.037 0.000 1.667 90 Y CB 0.277 38.742 38.460 0.008 0.000 1.568 90 Y HN 0.529 nan 8.280 nan 0.000 0.471 91 M N 1.409 121.151 119.600 0.237 0.000 2.236 91 M HA 0.104 4.575 4.480 -0.014 0.000 0.266 91 M C 1.526 177.810 176.300 -0.026 0.000 1.070 91 M CA 1.155 56.499 55.300 0.073 0.000 1.137 91 M CB -1.261 31.356 32.600 0.028 0.000 1.378 91 M HN 0.659 nan 8.290 nan 0.000 0.426 92 G N 1.030 109.831 108.800 0.001 0.000 2.645 92 G HA2 -0.260 3.692 3.960 -0.014 0.000 0.239 92 G HA3 -0.260 3.692 3.960 -0.014 0.000 0.239 92 G C -0.499 174.360 174.900 -0.069 0.000 1.331 92 G CA -0.368 44.690 45.100 -0.071 0.000 0.890 92 G HN 0.457 nan 8.290 nan 0.000 0.572 93 R N -0.664 119.778 120.500 -0.095 0.000 2.679 93 R HA 0.533 4.864 4.340 -0.014 0.000 0.269 93 R C 1.573 177.765 176.300 -0.181 0.000 1.076 93 R CA 0.537 56.589 56.100 -0.080 0.000 1.160 93 R CB 0.615 30.870 30.300 -0.076 0.000 1.054 93 R HN 0.936 nan 8.270 nan 0.000 0.507 94 T N -0.294 114.105 114.554 -0.259 0.000 3.058 94 T HA 0.050 4.392 4.350 -0.014 0.000 0.278 94 T C 1.090 175.422 174.700 -0.613 0.000 0.974 94 T CA -0.292 61.484 62.100 -0.540 0.000 0.893 94 T CB 0.184 68.516 68.868 -0.893 0.000 1.138 94 T HN 0.326 nan 8.240 nan 0.000 0.529 95 L N 1.865 122.960 121.223 -0.213 0.000 1.973 95 L HA 0.171 4.502 4.340 -0.014 0.000 0.208 95 L C 2.589 179.433 176.870 -0.045 0.000 1.073 95 L CA 2.233 57.092 54.840 0.032 0.000 0.746 95 L CB -1.012 41.258 42.059 0.352 0.000 0.891 95 L HN 0.389 nan 8.230 nan 0.000 0.433 96 Q N -0.554 119.221 119.800 -0.042 0.000 2.061 96 Q HA -0.280 4.051 4.340 -0.014 0.000 0.204 96 Q C 2.247 178.184 176.000 -0.105 0.000 0.984 96 Q CA 2.094 57.864 55.803 -0.055 0.000 0.846 96 Q CB -0.405 28.295 28.738 -0.063 0.000 0.902 96 Q HN 0.697 nan 8.270 nan 0.000 0.421 97 N N -0.992 117.608 118.700 -0.168 0.000 2.137 97 N HA -0.162 4.570 4.740 -0.014 0.000 0.190 97 N C 1.371 176.783 175.510 -0.163 0.000 1.017 97 N CA 1.890 54.831 53.050 -0.182 0.000 0.859 97 N CB -0.004 38.339 38.487 -0.240 0.000 1.002 97 N HN 0.247 nan 8.380 nan 0.000 0.428 98 T N 1.122 115.549 114.554 -0.212 0.000 2.821 98 T HA -0.017 4.325 4.350 -0.014 0.000 0.267 98 T C 2.066 176.711 174.700 -0.092 0.000 1.046 98 T CA 0.947 62.938 62.100 -0.182 0.000 1.139 98 T CB -0.022 68.695 68.868 -0.252 0.000 0.871 98 T HN 0.270 nan 8.240 nan 0.000 0.454 99 M N 0.532 120.095 119.600 -0.062 0.000 2.117 99 M HA -0.074 4.397 4.480 -0.014 0.000 0.262 99 M C 2.472 178.742 176.300 -0.049 0.000 1.065 99 M CA 1.240 56.516 55.300 -0.039 0.000 1.114 99 M CB -0.611 31.980 32.600 -0.014 0.000 1.361 99 M HN 0.088 nan 8.290 nan 0.000 0.408 100 V N 0.955 120.845 119.914 -0.040 0.000 2.295 100 V HA -0.265 3.846 4.120 -0.014 0.000 0.246 100 V C 1.794 177.897 176.094 0.014 0.000 1.049 100 V CA 1.863 64.163 62.300 0.000 0.000 1.024 100 V CB -0.825 31.003 31.823 0.008 0.000 0.648 100 V HN 0.469 nan 8.190 nan 0.000 0.447 101 N N -0.434 118.261 118.700 -0.009 0.000 2.459 101 N HA -0.032 4.700 4.740 -0.014 0.000 0.181 101 N C 1.019 176.425 175.510 -0.174 0.000 1.046 101 N CA 0.676 53.696 53.050 -0.050 0.000 0.904 101 N CB -0.003 38.470 38.487 -0.024 0.000 0.964 101 N HN 0.275 nan 8.380 nan 0.000 0.444 102 L N -0.255 120.891 121.223 -0.129 0.000 2.728 102 L HA 0.417 4.748 4.340 -0.014 0.000 0.238 102 L C 0.439 177.228 176.870 -0.134 0.000 1.143 102 L CA -0.324 54.441 54.840 -0.126 0.000 0.937 102 L CB -0.792 41.220 42.059 -0.079 0.000 1.225 102 L HN 0.075 nan 8.230 nan 0.000 0.507 103 A N -0.375 122.363 122.820 -0.137 0.000 2.791 103 A HA -0.222 4.089 4.320 -0.014 0.000 0.292 103 A C 1.063 178.592 177.584 -0.093 0.000 1.487 103 A CA 1.002 52.972 52.037 -0.111 0.000 0.760 103 A CB -1.880 17.042 19.000 -0.130 0.000 1.031 103 A HN 0.238 nan 8.150 nan 0.000 0.503 104 L N -1.055 120.115 121.223 -0.087 0.000 2.731 104 L HA 0.257 4.589 4.340 -0.014 0.000 0.240 104 L C 1.825 178.663 176.870 -0.055 0.000 1.120 104 L CA 1.533 56.317 54.840 -0.094 0.000 0.913 104 L CB -0.214 41.770 42.059 -0.125 0.000 1.213 104 L HN 0.620 nan 8.230 nan 0.000 0.515 105 E N -0.101 120.076 120.200 -0.038 0.000 2.070 105 E HA -0.265 4.076 4.350 -0.014 0.000 0.197 105 E C 1.658 178.247 176.600 -0.018 0.000 1.004 105 E CA 1.748 58.136 56.400 -0.020 0.000 0.805 105 E CB 0.218 29.908 29.700 -0.016 0.000 0.744 105 E HN 0.383 nan 8.360 nan 0.000 0.451 106 N N -0.293 118.392 118.700 -0.024 0.000 2.171 106 N HA -0.082 4.649 4.740 -0.014 0.000 0.184 106 N C 1.517 177.012 175.510 -0.024 0.000 1.021 106 N CA 1.228 54.263 53.050 -0.025 0.000 0.854 106 N CB -0.402 38.068 38.487 -0.028 0.000 0.994 106 N HN 0.244 nan 8.380 nan 0.000 0.426 107 A N 0.320 123.123 122.820 -0.028 0.000 1.877 107 A HA -0.155 4.156 4.320 -0.014 0.000 0.216 107 A C 2.671 180.249 177.584 -0.010 0.000 1.186 107 A CA 1.384 53.407 52.037 -0.022 0.000 0.620 107 A CB -1.073 17.904 19.000 -0.037 0.000 0.822 107 A HN 0.438 nan 8.150 nan 0.000 0.443 108 C N -0.904 118.391 119.300 -0.009 0.000 2.446 108 C HA -0.075 4.377 4.460 -0.014 0.000 0.277 108 C C 2.499 177.495 174.990 0.010 0.000 1.275 108 C CA 1.150 60.175 59.018 0.011 0.000 1.727 108 C CB -1.085 26.672 27.740 0.029 0.000 2.010 108 C HN 0.672 nan 8.230 nan 0.000 0.486 109 D N 0.520 120.924 120.400 0.008 0.000 2.117 109 D HA -0.137 4.494 4.640 -0.014 0.000 0.197 109 D C 2.113 178.430 176.300 0.028 0.000 0.987 109 D CA 1.527 55.535 54.000 0.013 0.000 0.829 109 D CB -0.249 40.547 40.800 -0.007 0.000 0.961 109 D HN 0.495 nan 8.370 nan 0.000 0.460 110 E N 0.574 120.780 120.200 0.010 0.000 2.007 110 E HA -0.091 4.251 4.350 -0.014 0.000 0.194 110 E C 1.940 178.585 176.600 0.076 0.000 0.999 110 E CA 1.853 58.272 56.400 0.033 0.000 0.811 110 E CB -0.710 28.992 29.700 0.004 0.000 0.762 110 E HN 0.164 nan 8.360 nan 0.000 0.450 111 A N -0.059 122.773 122.820 0.020 0.000 1.884 111 A HA -0.286 4.026 4.320 -0.014 0.000 0.219 111 A C 2.540 180.066 177.584 -0.096 0.000 1.197 111 A CA 3.482 55.506 52.037 -0.022 0.000 0.637 111 A CB -1.757 17.230 19.000 -0.022 0.000 0.827 111 A HN 0.569 nan 8.150 nan 0.000 0.450 112 T N -3.799 110.688 114.554 -0.110 0.000 2.881 112 T HA -0.217 4.124 4.350 -0.014 0.000 0.270 112 T C 1.784 176.402 174.700 -0.135 0.000 1.068 112 T CA 1.587 63.560 62.100 -0.211 0.000 1.131 112 T CB -0.533 68.256 68.868 -0.133 0.000 0.871 112 T HN 0.530 nan 8.240 nan 0.000 0.479 113 Y N 1.977 122.199 120.300 -0.130 0.000 2.163 113 Y HA -0.027 4.515 4.550 -0.013 0.000 0.288 113 Y C 2.675 178.514 175.900 -0.102 0.000 1.136 113 Y CA 1.449 59.491 58.100 -0.097 0.000 1.147 113 Y CB -0.469 37.953 38.460 -0.063 0.000 0.987 113 Y HN 0.204 nan 8.280 nan 0.000 0.509 114 Q N -0.719 119.032 119.800 -0.083 0.000 2.226 114 Q HA -0.145 4.187 4.340 -0.014 0.000 0.204 114 Q C 1.604 177.478 176.000 -0.210 0.000 0.975 114 Q CA 1.031 56.746 55.803 -0.145 0.000 0.866 114 Q CB -0.102 28.627 28.738 -0.015 0.000 0.915 114 Q HN 0.358 nan 8.270 nan 0.000 0.440 115 L N -0.772 120.307 121.223 -0.240 0.000 2.599 115 L HA 0.107 4.438 4.340 -0.014 0.000 0.230 115 L C 1.115 177.811 176.870 -0.291 0.000 1.141 115 L CA 1.325 56.001 54.840 -0.273 0.000 0.877 115 L CB -0.519 41.278 42.059 -0.435 0.000 1.009 115 L HN 0.344 nan 8.230 nan 0.000 0.447 116 G N -0.224 108.383 108.800 -0.321 0.000 2.160 116 G HA2 -0.252 3.700 3.960 -0.014 0.000 0.244 116 G HA3 -0.252 3.700 3.960 -0.014 0.000 0.244 116 G C 0.034 174.775 174.900 -0.265 0.000 1.022 116 G CA 0.395 45.309 45.100 -0.309 0.000 0.741 116 G HN 0.308 nan 8.290 nan 0.000 0.508 117 L N -0.418 120.649 121.223 -0.259 0.000 2.341 117 L HA 0.624 4.956 4.340 -0.014 0.000 0.267 117 L C -0.494 176.330 176.870 -0.076 0.000 1.009 117 L CA -1.228 53.496 54.840 -0.194 0.000 0.819 117 L CB 1.881 43.766 42.059 -0.289 0.000 1.323 117 L HN 0.061 nan 8.230 nan 0.000 0.425 118 D N 1.964 122.353 120.400 -0.018 0.000 2.396 118 D HA 0.160 4.791 4.640 -0.014 0.000 0.225 118 D C 0.714 177.042 176.300 0.047 0.000 1.121 118 D CA -0.243 53.778 54.000 0.035 0.000 0.853 118 D CB 1.419 42.245 40.800 0.043 0.000 1.043 118 D HN 0.545 nan 8.370 nan 0.000 0.500 119 M N 3.345 122.976 119.600 0.051 0.000 2.106 119 M HA -0.214 4.258 4.480 -0.014 0.000 0.259 119 M C 1.476 177.820 176.300 0.073 0.000 1.068 119 M CA 1.717 57.057 55.300 0.066 0.000 1.100 119 M CB 0.122 32.756 32.600 0.056 0.000 1.351 119 M HN 0.420 nan 8.290 nan 0.000 0.404 120 E N -0.347 119.888 120.200 0.058 0.000 2.085 120 E HA -0.280 4.061 4.350 -0.014 0.000 0.194 120 E C 1.926 178.560 176.600 0.056 0.000 0.994 120 E CA 1.655 58.087 56.400 0.053 0.000 0.801 120 E CB -0.243 29.486 29.700 0.048 0.000 0.743 120 E HN 0.659 nan 8.360 nan 0.000 0.453 121 E N 0.271 120.507 120.200 0.060 0.000 2.153 121 E HA -0.201 4.141 4.350 -0.014 0.000 0.194 121 E C 1.877 178.517 176.600 0.067 0.000 0.988 121 E CA 0.581 57.016 56.400 0.059 0.000 0.811 121 E CB 0.182 29.918 29.700 0.060 0.000 0.746 121 E HN 0.079 nan 8.360 nan 0.000 0.466 122 L N 1.057 122.339 121.223 0.099 0.000 2.109 122 L HA -0.068 4.264 4.340 -0.014 0.000 0.207 122 L C 2.034 178.957 176.870 0.087 0.000 1.086 122 L CA 1.521 56.450 54.840 0.149 0.000 0.760 122 L CB -0.499 41.702 42.059 0.236 0.000 0.910 122 L HN 0.092 nan 8.230 nan 0.000 0.437 123 E N -0.655 119.588 120.200 0.072 0.000 2.153 123 E HA -0.195 4.146 4.350 -0.014 0.000 0.194 123 E C 1.798 178.352 176.600 -0.076 0.000 0.988 123 E CA 0.711 57.124 56.400 0.021 0.000 0.811 123 E CB 0.107 29.829 29.700 0.037 0.000 0.746 123 E HN 0.340 nan 8.360 nan 0.000 0.466 124 E N 0.077 120.250 120.200 -0.044 0.000 2.409 124 E HA -0.115 4.226 4.350 -0.014 0.000 0.198 124 E C 1.735 178.265 176.600 -0.116 0.000 1.024 124 E CA 0.559 56.933 56.400 -0.043 0.000 0.861 124 E CB 0.072 29.780 29.700 0.013 0.000 0.788 124 E HN 0.395 nan 8.360 nan 0.000 0.521 125 I N 0.726 121.165 120.570 -0.218 0.000 2.876 125 I HA -0.089 4.072 4.170 -0.014 0.000 0.264 125 I C 1.257 177.057 176.117 -0.528 0.000 1.204 125 I CA 0.178 61.285 61.300 -0.322 0.000 1.485 125 I CB 0.184 38.007 38.000 -0.296 0.000 1.103 125 I HN -0.055 nan 8.210 nan 0.000 0.446 126 E N 2.379 122.162 120.200 -0.694 0.000 2.366 126 E HA -0.050 4.291 4.350 -0.014 0.000 0.266 126 E C 0.071 176.560 176.600 -0.185 0.000 1.015 126 E CA -0.146 55.890 56.400 -0.607 0.000 0.906 126 E CB 0.573 30.025 29.700 -0.413 0.000 0.979 126 E HN 0.106 nan 8.360 nan 0.000 0.443 127 E N 3.090 123.265 120.200 -0.041 0.000 2.390 127 E HA 0.043 4.384 4.350 -0.014 0.000 0.261 127 E C -1.065 175.626 176.600 0.151 0.000 1.076 127 E CA -0.253 56.211 56.400 0.107 0.000 0.905 127 E CB 0.759 30.601 29.700 0.237 0.000 0.984 127 E HN 0.377 nan 8.360 nan 0.000 0.427 128 D N 1.360 121.838 120.400 0.130 0.000 2.345 128 D HA 0.302 4.934 4.640 -0.014 0.000 0.247 128 D C -0.919 175.428 176.300 0.078 0.000 1.108 128 D CA 0.107 54.160 54.000 0.089 0.000 0.894 128 D CB 1.135 41.974 40.800 0.065 0.000 1.203 128 D HN 0.441 nan 8.370 nan 0.000 0.430 129 A N 2.457 125.281 122.820 0.007 0.000 2.922 129 A HA 0.454 4.766 4.320 -0.014 0.000 0.298 129 A C 0.994 178.448 177.584 -0.217 0.000 1.588 129 A CA -0.468 51.414 52.037 -0.258 0.000 1.288 129 A CB -0.389 18.528 19.000 -0.138 0.000 1.130 129 A HN 0.533 nan 8.150 nan 0.000 0.557 130 G N 1.633 110.256 108.800 -0.295 0.000 3.581 130 G HA2 0.390 4.342 3.960 -0.014 0.000 0.255 130 G HA3 0.390 4.342 3.960 -0.014 0.000 0.255 130 G C 0.304 174.941 174.900 -0.440 0.000 1.121 130 G CA -0.289 44.665 45.100 -0.244 0.000 1.739 130 G HN 0.680 nan 8.290 nan 0.000 0.646 131 L N 1.490 122.518 121.223 -0.325 0.000 2.955 131 L HA 0.407 4.738 4.340 -0.014 0.000 0.238 131 L C 0.991 177.776 176.870 -0.141 0.000 1.359 131 L CA -0.263 54.492 54.840 -0.141 0.000 1.214 131 L CB -0.399 41.705 42.059 0.075 0.000 1.600 131 L HN 0.311 nan 8.230 nan 0.000 0.442 132 G N -1.130 107.361 108.800 -0.515 0.000 2.623 132 G HA2 0.191 4.142 3.960 -0.014 0.000 0.290 132 G HA3 0.191 4.142 3.960 -0.014 0.000 0.290 132 G C -0.204 174.276 174.900 -0.700 0.000 1.437 132 G CA -0.469 44.330 45.100 -0.502 0.000 0.798 132 G HN -0.034 nan 8.290 nan 0.000 0.488 133 N N -0.814 117.706 118.700 -0.300 0.000 2.436 133 N HA 0.200 4.931 4.740 -0.014 0.000 0.178 133 N C 1.199 176.732 175.510 0.038 0.000 1.026 133 N CA 1.320 54.281 53.050 -0.148 0.000 0.880 133 N CB 1.156 39.648 38.487 0.007 0.000 1.061 133 N HN 0.789 nan 8.380 nan 0.000 0.434 134 G N -0.634 108.267 108.800 0.169 0.000 3.218 134 G HA2 0.204 4.155 3.960 -0.014 0.000 0.143 134 G HA3 0.204 4.155 3.960 -0.014 0.000 0.143 134 G C 0.768 175.798 174.900 0.217 0.000 1.220 134 G CA 0.311 45.578 45.100 0.277 0.000 1.382 134 G HN 0.191 nan 8.290 nan 0.000 0.682 135 G N 0.486 109.358 108.800 0.119 0.000 2.446 135 G HA2 -0.104 3.848 3.960 -0.014 0.000 0.217 135 G HA3 -0.104 3.848 3.960 -0.014 0.000 0.217 135 G C 1.885 176.789 174.900 0.006 0.000 1.168 135 G CA 1.481 46.611 45.100 0.050 0.000 0.771 135 G HN 0.708 nan 8.290 nan 0.000 0.551 136 L N 0.651 121.862 121.223 -0.019 0.000 2.017 136 L HA 0.074 4.405 4.340 -0.014 0.000 0.208 136 L C 2.868 179.680 176.870 -0.097 0.000 1.073 136 L CA 2.020 56.772 54.840 -0.146 0.000 0.745 136 L CB -0.582 41.369 42.059 -0.180 0.000 0.894 136 L HN 0.246 nan 8.230 nan 0.000 0.432 137 G N -0.804 108.001 108.800 0.007 0.000 2.402 137 G HA2 -0.252 3.700 3.960 -0.014 0.000 0.216 137 G HA3 -0.252 3.700 3.960 -0.014 0.000 0.216 137 G C 1.697 176.666 174.900 0.114 0.000 1.162 137 G CA 0.287 45.413 45.100 0.043 0.000 0.777 137 G HN 0.180 nan 8.290 nan 0.000 0.539 138 R N -0.024 120.573 120.500 0.161 0.000 2.115 138 R HA 0.086 4.417 4.340 -0.014 0.000 0.230 138 R C 2.485 178.790 176.300 0.009 0.000 1.111 138 R CA 0.721 56.885 56.100 0.107 0.000 0.976 138 R CB -0.875 29.450 30.300 0.041 0.000 0.870 138 R HN 0.417 nan 8.270 nan 0.000 0.445 139 L N 0.633 121.794 121.223 -0.104 0.000 2.017 139 L HA -0.092 4.240 4.340 -0.014 0.000 0.208 139 L C 2.230 178.824 176.870 -0.459 0.000 1.073 139 L CA 2.190 56.834 54.840 -0.325 0.000 0.745 139 L CB -0.748 41.068 42.059 -0.405 0.000 0.894 139 L HN 0.169 nan 8.230 nan 0.000 0.432 140 A N -0.521 122.140 122.820 -0.266 0.000 1.917 140 A HA -0.212 4.099 4.320 -0.014 0.000 0.219 140 A C 2.441 180.070 177.584 0.075 0.000 1.182 140 A CA 2.090 54.045 52.037 -0.138 0.000 0.633 140 A CB -1.215 17.667 19.000 -0.197 0.000 0.819 140 A HN 0.593 nan 8.150 nan 0.000 0.448 141 A N -1.252 121.650 122.820 0.136 0.000 1.898 141 A HA -0.148 4.164 4.320 -0.014 0.000 0.216 141 A C 2.319 179.979 177.584 0.128 0.000 1.181 141 A CA 1.632 53.778 52.037 0.183 0.000 0.620 141 A CB -1.238 17.858 19.000 0.160 0.000 0.819 141 A HN 0.600 nan 8.150 nan 0.000 0.442 142 C N -1.562 117.813 119.300 0.124 0.000 2.440 142 C HA -0.039 4.413 4.460 -0.014 0.000 0.278 142 C C 2.423 177.578 174.990 0.275 0.000 1.295 142 C CA 0.554 59.685 59.018 0.188 0.000 1.738 142 C CB -1.584 26.291 27.740 0.226 0.000 1.987 142 C HN 0.603 nan 8.230 nan 0.000 0.492 143 F N 0.551 120.489 119.950 -0.021 0.000 2.102 143 F HA -0.092 4.427 4.527 -0.014 0.000 0.298 143 F C 2.132 177.879 175.800 -0.090 0.000 1.105 143 F CA 1.121 59.059 58.000 -0.104 0.000 1.239 143 F CB -1.414 37.394 39.000 -0.321 0.000 0.991 143 F HN 0.081 nan 8.300 nan 0.000 0.474 144 L N 0.430 121.735 121.223 0.138 0.000 2.013 144 L HA -0.253 4.078 4.340 -0.014 0.000 0.212 144 L C 2.416 179.305 176.870 0.031 0.000 1.073 144 L CA 2.011 56.888 54.840 0.062 0.000 0.753 144 L CB -1.251 40.854 42.059 0.077 0.000 0.890 144 L HN 0.210 nan 8.230 nan 0.000 0.432 145 D N -1.446 118.981 120.400 0.043 0.000 2.117 145 D HA -0.164 4.468 4.640 -0.014 0.000 0.197 145 D C 1.907 178.226 176.300 0.032 0.000 0.987 145 D CA 1.493 55.503 54.000 0.017 0.000 0.829 145 D CB 0.432 41.238 40.800 0.011 0.000 0.961 145 D HN 0.318 nan 8.370 nan 0.000 0.460 146 S N -0.203 115.532 115.700 0.059 0.000 2.387 146 S HA -0.036 4.425 4.470 -0.014 0.000 0.226 146 S C 2.121 176.736 174.600 0.025 0.000 1.026 146 S CA 0.642 58.869 58.200 0.045 0.000 0.972 146 S CB -0.079 63.153 63.200 0.053 0.000 0.814 146 S HN 0.327 nan 8.310 nan 0.000 0.477 147 M N 0.970 120.579 119.600 0.014 0.000 2.213 147 M HA -0.100 4.371 4.480 -0.014 0.000 0.263 147 M C 2.358 178.661 176.300 0.005 0.000 1.062 147 M CA 1.385 56.690 55.300 0.008 0.000 1.105 147 M CB -0.439 32.151 32.600 -0.018 0.000 1.385 147 M HN 0.390 nan 8.290 nan 0.000 0.417 148 A N -0.444 122.377 122.820 0.001 0.000 1.897 148 A HA -0.097 4.215 4.320 -0.014 0.000 0.215 148 A C 2.147 179.744 177.584 0.022 0.000 1.181 148 A CA 1.824 53.863 52.037 0.003 0.000 0.620 148 A CB -0.970 18.016 19.000 -0.022 0.000 0.821 148 A HN 0.397 nan 8.150 nan 0.000 0.443 149 T N 0.269 114.843 114.554 0.033 0.000 2.915 149 T HA 0.025 4.367 4.350 -0.014 0.000 0.269 149 T C 1.245 175.974 174.700 0.049 0.000 1.071 149 T CA 0.973 63.106 62.100 0.056 0.000 1.132 149 T CB -0.244 68.666 68.868 0.071 0.000 0.878 149 T HN 0.328 nan 8.240 nan 0.000 0.479 150 L N 0.406 121.653 121.223 0.041 0.000 2.700 150 L HA 0.313 4.644 4.340 -0.014 0.000 0.234 150 L C 1.540 178.438 176.870 0.046 0.000 1.156 150 L CA -0.162 54.704 54.840 0.043 0.000 0.946 150 L CB -0.323 41.761 42.059 0.042 0.000 1.216 150 L HN 0.367 nan 8.230 nan 0.000 0.493 151 G N 1.376 110.205 108.800 0.049 0.000 2.305 151 G HA2 -0.287 3.665 3.960 -0.014 0.000 0.287 151 G HA3 -0.287 3.665 3.960 -0.014 0.000 0.287 151 G C 0.045 174.983 174.900 0.063 0.000 1.036 151 G CA 0.123 45.266 45.100 0.071 0.000 0.887 151 G HN 0.291 nan 8.290 nan 0.000 0.505 152 L N -0.323 120.910 121.223 0.016 0.000 2.334 152 L HA 0.631 4.962 4.340 -0.014 0.000 0.277 152 L C 1.170 177.909 176.870 -0.218 0.000 1.075 152 L CA -0.430 54.372 54.840 -0.064 0.000 0.804 152 L CB 1.691 43.731 42.059 -0.032 0.000 1.174 152 L HN 0.255 nan 8.230 nan 0.000 0.438 153 A N 2.936 125.487 122.820 -0.448 0.000 3.037 153 A HA 0.580 4.892 4.320 -0.014 0.000 0.272 153 A C 0.277 177.505 177.584 -0.595 0.000 1.723 153 A CA -0.182 51.310 52.037 -0.909 0.000 1.413 153 A CB -0.655 17.735 19.000 -1.016 0.000 1.112 153 A HN 0.683 nan 8.150 nan 0.000 0.606 154 A N 1.224 123.751 122.820 -0.488 0.000 2.340 154 A HA 0.793 5.105 4.320 -0.014 0.000 0.331 154 A C -1.022 176.326 177.584 -0.395 0.000 1.140 154 A CA -0.462 51.357 52.037 -0.364 0.000 0.801 154 A CB 0.742 19.601 19.000 -0.236 0.000 1.234 154 A HN 0.602 nan 8.150 nan 0.000 0.469 155 Y N 0.344 120.610 120.300 -0.056 0.000 2.361 155 Y HA 0.530 5.072 4.550 -0.014 0.000 0.337 155 Y C 0.854 176.867 175.900 0.187 0.000 0.965 155 Y CA -0.568 57.574 58.100 0.071 0.000 1.091 155 Y CB 2.348 40.950 38.460 0.236 0.000 1.182 155 Y HN 0.825 nan 8.280 nan 0.000 0.450 156 G N 2.383 111.280 108.800 0.162 0.000 2.339 156 G HA2 0.413 4.364 3.960 -0.014 0.000 0.287 156 G HA3 0.413 4.364 3.960 -0.014 0.000 0.287 156 G C -1.668 173.228 174.900 -0.008 0.000 1.163 156 G CA -0.201 45.005 45.100 0.177 0.000 0.872 156 G HN 0.530 nan 8.290 nan 0.000 0.464 157 Y N 1.264 121.767 120.300 0.339 0.000 2.341 157 Y HA 0.624 5.166 4.550 -0.014 0.000 0.338 157 Y C 0.783 176.966 175.900 0.472 0.000 0.965 157 Y CA 0.255 58.529 58.100 0.288 0.000 1.108 157 Y CB 2.605 41.268 38.460 0.338 0.000 1.180 157 Y HN 0.853 nan 8.280 nan 0.000 0.458 158 G N 2.476 111.562 108.800 0.477 0.000 2.753 158 G HA2 0.561 4.513 3.960 -0.014 0.000 0.303 158 G HA3 0.561 4.513 3.960 -0.014 0.000 0.303 158 G C -1.770 173.369 174.900 0.399 0.000 1.242 158 G CA -0.817 44.619 45.100 0.559 0.000 0.810 158 G HN 0.421 nan 8.290 nan 0.000 0.515 159 I N 0.708 121.418 120.570 0.232 0.000 2.404 159 I HA 0.411 4.572 4.170 -0.014 0.000 0.293 159 I C 0.223 176.249 176.117 -0.152 0.000 0.992 159 I CA -0.696 60.626 61.300 0.036 0.000 1.149 159 I CB 2.148 39.967 38.000 -0.302 0.000 1.315 159 I HN 0.387 nan 8.210 nan 0.000 0.446 160 R N 6.527 127.036 120.500 0.015 0.000 2.891 160 R HA 0.228 4.560 4.340 -0.014 0.000 0.248 160 R C -1.173 175.181 176.300 0.089 0.000 1.439 160 R CA -0.441 55.697 56.100 0.064 0.000 1.288 160 R CB -0.100 30.211 30.300 0.018 0.000 1.212 160 R HN 0.385 nan 8.270 nan 0.000 0.605 161 Y N 1.460 121.907 120.300 0.245 0.000 2.497 161 Y HA -0.065 4.476 4.550 -0.014 0.000 0.334 161 Y C 1.530 177.599 175.900 0.282 0.000 1.199 161 Y CA 0.067 58.301 58.100 0.224 0.000 1.425 161 Y CB 0.817 39.388 38.460 0.185 0.000 1.291 161 Y HN 0.548 nan 8.280 nan 0.000 0.562 162 E N 1.071 121.448 120.200 0.295 0.000 2.442 162 E HA 0.058 4.399 4.350 -0.014 0.000 0.195 162 E C -0.774 175.711 176.600 -0.191 0.000 1.030 162 E CA 0.419 56.823 56.400 0.006 0.000 0.869 162 E CB 0.121 29.641 29.700 -0.299 0.000 0.857 162 E HN 0.433 nan 8.360 nan 0.000 0.505 163 F N 1.232 121.415 119.950 0.387 0.000 2.496 163 F HA 0.468 4.986 4.527 -0.014 0.000 0.341 163 F C 0.852 176.727 175.800 0.125 0.000 1.134 163 F CA -1.085 57.080 58.000 0.275 0.000 0.968 163 F CB 2.051 41.147 39.000 0.160 0.000 1.205 163 F HN -0.059 nan 8.300 nan 0.000 0.436 164 G N 2.003 110.901 108.800 0.163 0.000 2.582 164 G HA2 0.321 4.272 3.960 -0.014 0.000 0.232 164 G HA3 0.321 4.272 3.960 -0.014 0.000 0.232 164 G C -0.484 174.368 174.900 -0.080 0.000 1.458 164 G CA -0.660 44.380 45.100 -0.100 0.000 1.062 164 G HN 0.513 nan 8.290 nan 0.000 0.566 165 I N 0.900 121.345 120.570 -0.209 0.000 2.775 165 I HA 0.220 4.382 4.170 -0.014 0.000 0.290 165 I C 0.556 176.589 176.117 -0.140 0.000 1.203 165 I CA -1.075 60.086 61.300 -0.232 0.000 1.433 165 I CB -0.214 37.548 38.000 -0.397 0.000 1.354 165 I HN 0.334 nan 8.210 nan 0.000 0.579 166 F N 6.277 126.233 119.950 0.011 0.000 2.589 166 F HA 0.264 4.782 4.527 -0.014 0.000 0.352 166 F C 0.436 176.283 175.800 0.078 0.000 1.168 166 F CA -0.518 57.511 58.000 0.049 0.000 1.353 166 F CB -0.212 38.805 39.000 0.028 0.000 1.116 166 F HN 0.423 nan 8.300 nan 0.000 0.608 167 N N 2.203 121.085 118.700 0.302 0.000 2.444 167 N HA 0.069 4.800 4.740 -0.014 0.000 0.271 167 N C -0.933 174.803 175.510 0.378 0.000 1.069 167 N CA -0.338 52.850 53.050 0.231 0.000 0.965 167 N CB 1.304 39.920 38.487 0.215 0.000 1.092 167 N HN 0.758 nan 8.380 nan 0.000 0.476 168 Q N 2.519 122.506 119.800 0.312 0.000 2.274 168 Q HA 0.192 4.523 4.340 -0.014 0.000 0.256 168 Q C -0.981 175.190 176.000 0.285 0.000 0.927 168 Q CA -0.255 55.778 55.803 0.383 0.000 0.939 168 Q CB 0.761 29.724 28.738 0.376 0.000 1.201 168 Q HN 0.262 nan 8.270 nan 0.000 0.426 169 K N 4.553 125.101 120.400 0.247 0.000 2.345 169 K HA 0.432 4.744 4.320 -0.014 0.000 0.255 169 K C -0.837 175.867 176.600 0.173 0.000 0.934 169 K CA -0.921 55.486 56.287 0.199 0.000 0.801 169 K CB 1.561 34.157 32.500 0.159 0.000 1.137 169 K HN 0.626 nan 8.250 nan 0.000 0.424 170 I N 2.860 123.526 120.570 0.161 0.000 2.307 170 I HA 0.178 4.340 4.170 -0.014 0.000 0.289 170 I C -0.071 176.109 176.117 0.105 0.000 1.021 170 I CA -0.716 60.650 61.300 0.110 0.000 1.224 170 I CB 0.485 38.532 38.000 0.078 0.000 1.376 170 I HN 0.449 nan 8.210 nan 0.000 0.470 171 C N 4.358 123.732 119.300 0.124 0.000 2.301 171 C HA 0.574 5.025 4.460 -0.014 0.000 0.323 171 C C 1.236 176.332 174.990 0.176 0.000 1.265 171 C CA -0.257 58.837 59.018 0.128 0.000 1.503 171 C CB 0.331 28.140 27.740 0.115 0.000 2.195 171 C HN 1.084 nan 8.230 nan 0.000 0.477 172 G N 2.849 111.723 108.800 0.123 0.000 2.283 172 G HA2 0.077 4.029 3.960 -0.014 0.000 0.280 172 G HA3 0.077 4.029 3.960 -0.014 0.000 0.280 172 G C 1.086 176.001 174.900 0.025 0.000 1.029 172 G CA 0.987 46.164 45.100 0.128 0.000 0.840 172 G HN 2.299 nan 8.290 nan 0.000 0.505 173 G N -2.991 105.768 108.800 -0.068 0.000 2.199 173 G HA2 -0.286 3.666 3.960 -0.014 0.000 0.254 173 G HA3 -0.286 3.666 3.960 -0.014 0.000 0.254 173 G C 0.379 175.033 174.900 -0.410 0.000 0.982 173 G CA 0.606 45.535 45.100 -0.286 0.000 0.632 173 G HN 1.171 nan 8.290 nan 0.000 0.529 174 W N 0.844 122.092 121.300 -0.087 0.000 2.516 174 W HA 0.674 5.326 4.660 -0.014 0.000 0.343 174 W C 0.630 177.102 176.519 -0.079 0.000 1.094 174 W CA -0.846 56.442 57.345 -0.096 0.000 1.250 174 W CB 0.806 30.225 29.460 -0.068 0.000 1.308 174 W HN 0.254 nan 8.180 nan 0.000 0.588 175 Q N 2.689 122.604 119.800 0.190 0.000 2.314 175 Q HA 0.309 4.641 4.340 -0.014 0.000 0.258 175 Q C -0.714 175.351 176.000 0.109 0.000 0.954 175 Q CA 0.008 55.888 55.803 0.128 0.000 0.890 175 Q CB 0.625 29.433 28.738 0.117 0.000 1.210 175 Q HN 0.307 nan 8.270 nan 0.000 0.410 176 M N 3.302 122.962 119.600 0.101 0.000 2.253 176 M HA 0.369 4.841 4.480 -0.014 0.000 0.314 176 M C -1.213 175.109 176.300 0.037 0.000 1.019 176 M CA -0.631 54.696 55.300 0.045 0.000 0.932 176 M CB 1.680 34.318 32.600 0.064 0.000 1.606 176 M HN 0.638 nan 8.290 nan 0.000 0.430 177 E N 2.019 122.163 120.200 -0.094 0.000 2.231 177 E HA 0.514 4.855 4.350 -0.014 0.000 0.277 177 E C -0.499 176.089 176.600 -0.019 0.000 0.999 177 E CA -0.497 55.810 56.400 -0.155 0.000 0.827 177 E CB 1.592 30.906 29.700 -0.643 0.000 1.101 177 E HN 0.537 nan 8.360 nan 0.000 0.393 178 E N 1.155 121.423 120.200 0.113 0.000 2.321 178 E HA 0.604 4.946 4.350 -0.014 0.000 0.278 178 E C -1.260 175.428 176.600 0.146 0.000 0.902 178 E CA -1.282 55.174 56.400 0.093 0.000 0.758 178 E CB 1.292 31.055 29.700 0.105 0.000 1.213 178 E HN 0.520 nan 8.360 nan 0.000 0.426 179 A N 2.851 125.711 122.820 0.067 0.000 2.587 179 A HA 0.022 4.333 4.320 -0.014 0.000 0.235 179 A C 0.034 177.772 177.584 0.257 0.000 1.044 179 A CA 0.768 52.849 52.037 0.075 0.000 0.754 179 A CB -0.035 18.864 19.000 -0.169 0.000 0.968 179 A HN 0.685 nan 8.150 nan 0.000 0.509 180 D N 1.639 122.270 120.400 0.384 0.000 2.500 180 D HA 0.194 4.826 4.640 -0.014 0.000 0.219 180 D C -0.548 176.098 176.300 0.576 0.000 1.137 180 D CA -0.281 53.960 54.000 0.401 0.000 0.946 180 D CB 0.406 41.377 40.800 0.284 0.000 1.022 180 D HN 0.353 nan 8.370 nan 0.000 0.518 181 D N 4.027 124.732 120.400 0.509 0.000 2.688 181 D HA -0.026 4.606 4.640 -0.014 0.000 0.228 181 D C 1.109 177.580 176.300 0.285 0.000 1.116 181 D CA -0.526 53.703 54.000 0.381 0.000 1.023 181 D CB -0.124 40.889 40.800 0.356 0.000 1.100 181 D HN 0.593 nan 8.370 nan 0.000 0.487 182 W N 2.246 123.601 121.300 0.092 0.000 2.525 182 W HA -0.063 4.588 4.660 -0.014 0.000 0.259 182 W C 0.251 176.838 176.519 0.113 0.000 1.253 182 W CA 0.099 57.511 57.345 0.112 0.000 1.262 182 W CB -0.781 28.740 29.460 0.102 0.000 1.122 182 W HN 0.196 nan 8.180 nan 0.000 0.607 183 L N 0.795 121.676 121.223 -0.570 0.000 2.607 183 L HA 0.169 4.500 4.340 -0.014 0.000 0.228 183 L C 2.761 179.500 176.870 -0.218 0.000 1.123 183 L CA 0.014 54.499 54.840 -0.592 0.000 0.890 183 L CB -0.672 40.904 42.059 -0.804 0.000 1.103 183 L HN -0.119 nan 8.230 nan 0.000 0.468 184 R N 0.800 121.245 120.500 -0.090 0.000 2.159 184 R HA -0.264 4.068 4.340 -0.014 0.000 0.252 184 R C 1.338 177.524 176.300 -0.190 0.000 1.144 184 R CA 2.330 58.369 56.100 -0.103 0.000 0.961 184 R CB -0.281 30.011 30.300 -0.015 0.000 0.877 184 R HN 0.344 nan 8.270 nan 0.000 0.444 185 Y N -0.721 119.592 120.300 0.022 0.000 2.485 185 Y HA 0.326 4.868 4.550 -0.014 0.000 0.260 185 Y C 0.772 176.663 175.900 -0.014 0.000 1.173 185 Y CA 0.247 58.368 58.100 0.035 0.000 1.252 185 Y CB 1.210 39.791 38.460 0.201 0.000 1.123 185 Y HN 0.466 nan 8.280 nan 0.000 0.524 186 G N 1.401 110.249 108.800 0.080 0.000 2.662 186 G HA2 -0.214 3.737 3.960 -0.014 0.000 0.686 186 G HA3 -0.214 3.737 3.960 -0.014 0.000 0.686 186 G C -1.347 173.620 174.900 0.110 0.000 1.271 186 G CA -0.877 44.233 45.100 0.016 0.000 0.816 186 G HN 0.204 nan 8.290 nan 0.000 0.608 187 N N 1.275 119.990 118.700 0.025 0.000 2.623 187 N HA 0.525 5.256 4.740 -0.014 0.000 0.256 187 N C -0.742 174.772 175.510 0.007 0.000 1.045 187 N CA -1.973 51.115 53.050 0.064 0.000 0.863 187 N CB 1.965 40.429 38.487 -0.038 0.000 1.182 187 N HN 0.248 nan 8.380 nan 0.000 0.523 188 P HA -0.018 nan 4.420 nan 0.000 0.228 188 P C 0.549 177.486 177.300 -0.605 0.000 1.151 188 P CA 0.788 63.568 63.100 -0.533 0.000 0.770 188 P CB 0.101 31.217 31.700 -0.973 0.000 0.786 189 W N 1.707 123.025 121.300 0.030 0.000 2.539 189 W HA 0.066 4.718 4.660 -0.014 0.000 0.281 189 W C 1.397 177.967 176.519 0.086 0.000 1.220 189 W CA -0.315 57.046 57.345 0.027 0.000 1.332 189 W CB -0.397 29.078 29.460 0.025 0.000 1.095 189 W HN -0.042 nan 8.180 nan 0.000 0.571 190 E N 1.947 122.334 120.200 0.313 0.000 2.374 190 E HA 0.233 4.575 4.350 -0.014 0.000 0.260 190 E C -0.525 176.253 176.600 0.297 0.000 1.101 190 E CA -0.467 56.126 56.400 0.321 0.000 0.907 190 E CB 1.054 30.957 29.700 0.338 0.000 1.014 190 E HN -0.306 nan 8.360 nan 0.000 0.427 191 K N 1.253 121.844 120.400 0.317 0.000 2.604 191 K HA 0.392 4.704 4.320 -0.014 0.000 0.247 191 K C -1.256 175.374 176.600 0.049 0.000 0.956 191 K CA -0.396 56.008 56.287 0.196 0.000 0.896 191 K CB 1.419 34.047 32.500 0.212 0.000 1.131 191 K HN 0.662 nan 8.250 nan 0.000 0.440 192 A N 4.138 126.897 122.820 -0.101 0.000 2.511 192 A HA 0.340 4.652 4.320 -0.014 0.000 0.242 192 A C -0.274 177.120 177.584 -0.317 0.000 1.069 192 A CA -0.029 51.683 52.037 -0.542 0.000 0.763 192 A CB 0.201 18.894 19.000 -0.511 0.000 1.001 192 A HN 0.655 nan 8.150 nan 0.000 0.498 193 R N 3.436 123.739 120.500 -0.328 0.000 2.651 193 R HA 0.210 4.542 4.340 -0.014 0.000 0.282 193 R C -2.396 173.799 176.300 -0.174 0.000 1.565 193 R CA -1.646 54.361 56.100 -0.154 0.000 1.661 193 R CB 0.915 31.300 30.300 0.142 0.000 1.189 193 R HN 0.576 nan 8.270 nan 0.000 0.621 194 P HA -0.170 nan 4.420 nan 0.000 0.220 194 P C 0.894 178.097 177.300 -0.162 0.000 1.148 194 P CA 1.068 64.085 63.100 -0.138 0.000 0.803 194 P CB 0.371 31.998 31.700 -0.122 0.000 0.782 195 E N 0.078 120.068 120.200 -0.350 0.000 2.409 195 E HA -0.131 4.210 4.350 -0.014 0.000 0.198 195 E C 0.681 177.010 176.600 -0.451 0.000 1.024 195 E CA 0.738 56.859 56.400 -0.465 0.000 0.861 195 E CB -0.925 28.358 29.700 -0.695 0.000 0.788 195 E HN 0.369 nan 8.360 nan 0.000 0.521 196 F N 1.537 121.500 119.950 0.022 0.000 2.708 196 F HA 0.240 4.758 4.527 -0.014 0.000 0.300 196 F C 0.471 176.360 175.800 0.149 0.000 1.118 196 F CA -0.708 57.334 58.000 0.070 0.000 1.307 196 F CB 0.695 39.729 39.000 0.058 0.000 0.986 196 F HN -0.283 nan 8.300 nan 0.000 0.522 197 T N 3.032 117.723 114.554 0.229 0.000 2.928 197 T HA 0.209 4.550 4.350 -0.014 0.000 0.305 197 T C -0.179 174.630 174.700 0.182 0.000 1.035 197 T CA 0.346 62.584 62.100 0.230 0.000 1.145 197 T CB 0.733 69.686 68.868 0.142 0.000 0.963 197 T HN -0.115 nan 8.240 nan 0.000 0.545 198 L N 5.535 126.841 121.223 0.139 0.000 2.323 198 L HA 0.637 4.969 4.340 -0.014 0.000 0.265 198 L C -2.216 174.624 176.870 -0.051 0.000 1.012 198 L CA -2.615 52.232 54.840 0.011 0.000 0.820 198 L CB 1.804 43.802 42.059 -0.101 0.000 1.334 198 L HN 0.391 nan 8.230 nan 0.000 0.427 199 P HA 0.455 nan 4.420 nan 0.000 0.293 199 P C -1.328 175.831 177.300 -0.236 0.000 1.291 199 P CA -0.520 62.497 63.100 -0.138 0.000 0.867 199 P CB 2.118 33.730 31.700 -0.145 0.000 1.074 200 V N 3.551 123.313 119.914 -0.252 0.000 2.638 200 V HA 0.325 4.437 4.120 -0.014 0.000 0.306 200 V C 0.059 175.926 176.094 -0.378 0.000 1.052 200 V CA -0.606 61.531 62.300 -0.272 0.000 0.885 200 V CB 1.598 33.334 31.823 -0.145 0.000 0.999 200 V HN 0.615 nan 8.190 nan 0.000 0.424 201 H N 3.836 122.735 119.070 -0.285 0.000 2.502 201 H HA 0.640 5.188 4.556 -0.014 0.000 0.338 201 H C -1.309 173.649 175.328 -0.617 0.000 1.155 201 H CA -0.163 55.617 56.048 -0.448 0.000 1.237 201 H CB 1.908 31.152 29.762 -0.863 0.000 1.534 201 H HN 0.466 nan 8.280 nan 0.000 0.523 202 F N -0.248 119.713 119.950 0.019 0.000 2.613 202 F HA 0.195 4.713 4.527 -0.014 0.000 0.310 202 F C -0.299 175.576 175.800 0.125 0.000 1.085 202 F CA -0.574 57.442 58.000 0.028 0.000 0.945 202 F CB 1.064 40.016 39.000 -0.081 0.000 1.298 202 F HN 0.564 nan 8.300 nan 0.000 0.455 203 Y N 0.299 120.849 120.300 0.418 0.000 2.887 203 Y HA -0.026 4.515 4.550 -0.014 0.000 0.467 203 Y C 1.383 177.492 175.900 0.349 0.000 1.191 203 Y CA 0.711 58.986 58.100 0.292 0.000 2.539 203 Y CB -1.914 36.646 38.460 0.167 0.000 1.225 203 Y HN 1.313 nan 8.280 nan 0.000 0.630 204 G N 0.682 109.715 108.800 0.388 0.000 2.642 204 G HA2 0.101 4.052 3.960 -0.014 0.000 0.231 204 G HA3 0.101 4.052 3.960 -0.014 0.000 0.231 204 G C -0.539 174.553 174.900 0.319 0.000 1.338 204 G CA 0.831 46.082 45.100 0.251 0.000 0.883 204 G HN 1.349 nan 8.290 nan 0.000 0.570 205 R N -2.567 118.113 120.500 0.301 0.000 2.766 205 R HA 0.729 5.061 4.340 -0.014 0.000 0.270 205 R C -1.501 174.927 176.300 0.214 0.000 1.035 205 R CA -0.869 55.362 56.100 0.219 0.000 0.911 205 R CB 1.290 31.667 30.300 0.128 0.000 1.243 205 R HN 0.938 nan 8.270 nan 0.000 0.460 206 V N 1.060 121.020 119.914 0.077 0.000 2.370 206 V HA 0.345 4.456 4.120 -0.014 0.000 0.283 206 V C -0.306 175.725 176.094 -0.104 0.000 1.023 206 V CA -0.568 61.707 62.300 -0.041 0.000 0.857 206 V CB 1.360 33.087 31.823 -0.160 0.000 0.985 206 V HN 0.665 nan 8.190 nan 0.000 0.443 207 E N 3.396 123.522 120.200 -0.122 0.000 2.151 207 E HA 0.388 4.730 4.350 -0.014 0.000 0.275 207 E C -0.939 175.542 176.600 -0.199 0.000 0.936 207 E CA -0.671 55.675 56.400 -0.089 0.000 0.777 207 E CB 0.987 30.678 29.700 -0.015 0.000 1.108 207 E HN 0.646 nan 8.360 nan 0.000 0.401 208 H N 2.533 121.618 119.070 0.024 0.000 2.685 208 H HA 0.184 4.732 4.556 -0.014 0.000 0.286 208 H C -0.300 175.037 175.328 0.016 0.000 1.102 208 H CA -0.200 55.858 56.048 0.016 0.000 1.254 208 H CB 0.762 30.529 29.762 0.008 0.000 1.397 208 H HN 0.437 nan 8.280 nan 0.000 0.473 209 T N 0.001 114.608 114.554 0.089 0.000 2.861 209 T HA 0.287 4.628 4.350 -0.014 0.000 0.287 209 T C 1.128 175.861 174.700 0.055 0.000 1.003 209 T CA -0.252 61.887 62.100 0.064 0.000 0.977 209 T CB 1.954 70.846 68.868 0.039 0.000 0.996 209 T HN 0.528 nan 8.240 nan 0.000 0.448 210 S N 2.587 118.316 115.700 0.047 0.000 2.521 210 S HA -0.374 4.087 4.470 -0.014 0.000 0.517 210 S C 0.945 175.568 174.600 0.038 0.000 0.973 210 S CA 1.948 60.170 58.200 0.037 0.000 3.182 210 S CB -1.375 61.842 63.200 0.029 0.000 2.244 210 S HN 0.864 nan 8.310 nan 0.000 0.529 211 Q N 2.856 122.677 119.800 0.036 0.000 2.923 211 Q HA 0.565 4.897 4.340 -0.014 0.000 0.363 211 Q C 0.248 176.272 176.000 0.039 0.000 1.159 211 Q CA 0.799 56.623 55.803 0.035 0.000 1.073 211 Q CB 0.419 29.174 28.738 0.029 0.000 1.364 211 Q HN 0.967 nan 8.270 nan 0.000 0.466 212 G N -0.396 108.435 108.800 0.053 0.000 2.459 212 G HA2 0.265 4.216 3.960 -0.014 0.000 0.685 212 G HA3 0.265 4.216 3.960 -0.014 0.000 0.685 212 G C -1.113 173.814 174.900 0.045 0.000 1.303 212 G CA -0.648 44.484 45.100 0.055 0.000 0.907 212 G HN 0.463 nan 8.290 nan 0.000 0.632 213 A N 0.359 123.190 122.820 0.019 0.000 2.286 213 A HA 0.842 5.154 4.320 -0.014 0.000 0.286 213 A C 0.358 177.894 177.584 -0.079 0.000 1.097 213 A CA -0.003 51.968 52.037 -0.110 0.000 0.821 213 A CB 0.895 19.785 19.000 -0.182 0.000 1.076 213 A HN 0.780 nan 8.150 nan 0.000 0.490 214 K N 0.486 120.828 120.400 -0.096 0.000 2.482 214 K HA 0.209 4.520 4.320 -0.014 0.000 0.251 214 K C -1.824 174.813 176.600 0.061 0.000 0.936 214 K CA -0.394 55.886 56.287 -0.012 0.000 0.791 214 K CB 1.943 34.438 32.500 -0.007 0.000 1.213 214 K HN 0.725 nan 8.250 nan 0.000 0.428 215 W N 4.937 126.153 121.300 -0.140 0.000 2.358 215 W HA 0.383 5.035 4.660 -0.014 0.000 0.307 215 W C -1.039 175.404 176.519 -0.125 0.000 1.203 215 W CA -0.630 56.634 57.345 -0.136 0.000 1.279 215 W CB 0.459 29.826 29.460 -0.156 0.000 1.264 215 W HN 0.199 nan 8.180 nan 0.000 0.474 216 V N 6.331 126.319 119.914 0.125 0.000 3.126 216 V HA 0.342 4.454 4.120 -0.014 0.000 0.314 216 V C -0.478 175.580 176.094 -0.059 0.000 1.138 216 V CA -0.616 61.665 62.300 -0.033 0.000 1.034 216 V CB 2.080 33.914 31.823 0.019 0.000 1.075 216 V HN 0.454 nan 8.190 nan 0.000 0.442 217 D N 1.442 121.799 120.400 -0.072 0.000 2.686 217 D HA -0.132 4.500 4.640 -0.014 0.000 0.235 217 D C 0.393 176.639 176.300 -0.091 0.000 1.160 217 D CA 1.372 55.333 54.000 -0.066 0.000 0.645 217 D CB -1.193 39.599 40.800 -0.013 0.000 1.039 217 D HN 0.848 nan 8.370 nan 0.000 0.423 218 T N -3.168 111.282 114.554 -0.174 0.000 2.918 218 T HA 0.413 4.755 4.350 -0.014 0.000 0.283 218 T C 0.213 174.880 174.700 -0.055 0.000 1.001 218 T CA -0.896 61.108 62.100 -0.160 0.000 1.041 218 T CB 2.667 71.252 68.868 -0.472 0.000 1.028 218 T HN 0.209 nan 8.240 nan 0.000 0.511 219 Q N 1.137 120.982 119.800 0.075 0.000 2.243 219 Q HA 0.525 4.857 4.340 -0.014 0.000 0.252 219 Q C -1.461 174.603 176.000 0.107 0.000 0.909 219 Q CA -0.827 55.025 55.803 0.083 0.000 0.922 219 Q CB 1.262 30.133 28.738 0.222 0.000 1.215 219 Q HN 0.625 nan 8.270 nan 0.000 0.427 220 V N 4.331 124.267 119.914 0.037 0.000 2.435 220 V HA 0.444 4.556 4.120 -0.014 0.000 0.290 220 V C -0.449 175.696 176.094 0.085 0.000 1.030 220 V CA -0.615 61.669 62.300 -0.026 0.000 0.881 220 V CB 1.747 33.510 31.823 -0.100 0.000 0.983 220 V HN 0.638 nan 8.190 nan 0.000 0.445 221 V N 5.986 125.985 119.914 0.142 0.000 2.604 221 V HA 0.508 4.620 4.120 -0.014 0.000 0.305 221 V C -0.221 175.982 176.094 0.182 0.000 1.043 221 V CA -0.627 61.791 62.300 0.195 0.000 0.888 221 V CB 1.961 33.966 31.823 0.302 0.000 0.995 221 V HN 0.630 nan 8.190 nan 0.000 0.429 222 L N 3.339 124.668 121.223 0.177 0.000 2.357 222 L HA 0.812 5.144 4.340 -0.014 0.000 0.273 222 L C 0.350 177.410 176.870 0.317 0.000 1.080 222 L CA -0.492 54.452 54.840 0.173 0.000 0.803 222 L CB 1.487 43.626 42.059 0.134 0.000 1.174 222 L HN 0.743 nan 8.230 nan 0.000 0.443 223 A N 4.279 127.242 122.820 0.239 0.000 2.285 223 A HA 0.600 4.912 4.320 -0.014 0.000 0.310 223 A C -0.556 177.300 177.584 0.455 0.000 1.266 223 A CA -0.467 51.757 52.037 0.312 0.000 0.832 223 A CB 1.037 19.809 19.000 -0.381 0.000 1.163 223 A HN 0.788 nan 8.150 nan 0.000 0.499 224 M N 6.095 126.024 119.600 0.548 0.000 2.129 224 M HA 0.465 4.936 4.480 -0.014 0.000 0.348 224 M C -2.577 174.021 176.300 0.498 0.000 1.116 224 M CA -2.058 53.510 55.300 0.448 0.000 1.022 224 M CB 1.886 34.673 32.600 0.313 0.000 1.599 224 M HN 0.360 nan 8.290 nan 0.000 0.449 225 P HA 0.256 nan 4.420 nan 0.000 0.282 225 P C -1.940 175.319 177.300 -0.068 0.000 1.249 225 P CA -0.023 63.015 63.100 -0.104 0.000 0.806 225 P CB 0.592 32.016 31.700 -0.460 0.000 0.984 226 Y N 0.372 120.606 120.300 -0.110 0.000 2.338 226 Y HA 0.310 4.851 4.550 -0.014 0.000 0.333 226 Y C 0.018 175.909 175.900 -0.015 0.000 0.968 226 Y CA -0.339 57.761 58.100 -0.001 0.000 1.123 226 Y CB 1.488 39.979 38.460 0.051 0.000 1.165 226 Y HN 0.213 nan 8.280 nan 0.000 0.452 227 D N 2.078 122.597 120.400 0.199 0.000 2.193 227 D HA 0.413 5.044 4.640 -0.014 0.000 0.244 227 D C -0.589 175.956 176.300 0.409 0.000 1.064 227 D CA -0.200 53.964 54.000 0.273 0.000 0.845 227 D CB 1.789 42.783 40.800 0.323 0.000 1.148 227 D HN 0.360 nan 8.370 nan 0.000 0.464 228 T N 3.155 117.841 114.554 0.221 0.000 2.824 228 T HA 0.477 4.819 4.350 -0.014 0.000 0.282 228 T C -2.533 172.000 174.700 -0.278 0.000 0.993 228 T CA -1.492 60.633 62.100 0.042 0.000 0.967 228 T CB 2.071 70.958 68.868 0.031 0.000 0.960 228 T HN 0.168 nan 8.240 nan 0.000 0.441 229 P HA 0.347 nan 4.420 nan 0.000 0.279 229 P C -1.029 175.935 177.300 -0.560 0.000 1.239 229 P CA -0.420 61.997 63.100 -1.140 0.000 0.789 229 P CB 0.864 31.655 31.700 -1.515 0.000 0.933 230 V N 5.220 124.866 119.914 -0.446 0.000 2.340 230 V HA 0.258 4.369 4.120 -0.014 0.000 0.277 230 V C -2.112 173.851 176.094 -0.219 0.000 1.017 230 V CA -1.877 60.263 62.300 -0.267 0.000 0.820 230 V CB 1.439 33.156 31.823 -0.178 0.000 1.028 230 V HN 0.544 nan 8.190 nan 0.000 0.436 231 P HA 0.258 nan 4.420 nan 0.000 0.281 231 P C 0.405 177.655 177.300 -0.083 0.000 1.252 231 P CA 0.339 63.353 63.100 -0.144 0.000 0.778 231 P CB 1.628 33.240 31.700 -0.147 0.000 0.895 232 G N 2.490 111.259 108.800 -0.053 0.000 2.616 232 G HA2 0.120 4.071 3.960 -0.014 0.000 0.268 232 G HA3 0.120 4.071 3.960 -0.014 0.000 0.268 232 G C -1.174 173.737 174.900 0.019 0.000 1.213 232 G CA -0.560 44.538 45.100 -0.004 0.000 0.926 232 G HN 0.523 nan 8.290 nan 0.000 0.523 233 Y N 0.304 120.568 120.300 -0.060 0.000 2.539 233 Y HA 0.309 4.850 4.550 -0.014 0.000 0.352 233 Y C 1.222 177.087 175.900 -0.059 0.000 1.004 233 Y CA -0.313 57.748 58.100 -0.066 0.000 1.278 233 Y CB 0.202 38.621 38.460 -0.067 0.000 1.136 233 Y HN 0.693 nan 8.280 nan 0.000 0.528 234 R N 3.028 123.167 120.500 -0.602 0.000 3.502 234 R HA -0.315 4.017 4.340 -0.014 0.000 0.266 234 R C -0.127 176.022 176.300 -0.253 0.000 1.077 234 R CA 1.506 57.300 56.100 -0.510 0.000 0.718 234 R CB -1.837 27.979 30.300 -0.807 0.000 1.120 234 R HN 0.952 nan 8.270 nan 0.000 0.457 235 N N -1.650 116.959 118.700 -0.152 0.000 2.170 235 N HA 0.084 4.816 4.740 -0.014 0.000 0.222 235 N C -0.242 175.221 175.510 -0.078 0.000 1.218 235 N CA -0.397 52.600 53.050 -0.088 0.000 0.889 235 N CB 0.574 39.036 38.487 -0.043 0.000 1.083 235 N HN 0.076 nan 8.380 nan 0.000 0.520 236 N N -0.237 118.412 118.700 -0.085 0.000 2.800 236 N HA -0.132 4.600 4.740 -0.014 0.000 0.250 236 N C -1.095 174.375 175.510 -0.067 0.000 1.078 236 N CA 0.580 53.589 53.050 -0.069 0.000 0.804 236 N CB -1.281 37.167 38.487 -0.065 0.000 1.135 236 N HN 0.214 nan 8.380 nan 0.000 0.565 237 V N 1.066 120.943 119.914 -0.062 0.000 2.427 237 V HA 0.496 4.608 4.120 -0.014 0.000 0.286 237 V C 0.426 176.490 176.094 -0.050 0.000 1.034 237 V CA -0.576 61.692 62.300 -0.052 0.000 0.893 237 V CB 2.228 34.043 31.823 -0.014 0.000 0.982 237 V HN -0.044 nan 8.190 nan 0.000 0.452 238 V N 5.381 125.270 119.914 -0.042 0.000 2.419 238 V HA 0.444 4.556 4.120 -0.014 0.000 0.287 238 V C -0.080 175.995 176.094 -0.031 0.000 1.017 238 V CA -0.856 61.391 62.300 -0.089 0.000 0.844 238 V CB 1.404 33.161 31.823 -0.110 0.000 1.011 238 V HN 0.824 nan 8.190 nan 0.000 0.429 239 N N 1.943 120.602 118.700 -0.067 0.000 2.418 239 N HA 0.563 5.295 4.740 -0.014 0.000 0.283 239 N C -0.017 175.479 175.510 -0.023 0.000 1.267 239 N CA -0.250 52.790 53.050 -0.016 0.000 0.975 239 N CB 1.154 39.598 38.487 -0.072 0.000 1.167 239 N HN 0.588 nan 8.380 nan 0.000 0.581 240 T N 0.764 115.337 114.554 0.032 0.000 2.841 240 T HA 0.407 4.748 4.350 -0.014 0.000 0.283 240 T C -0.311 174.389 174.700 -0.001 0.000 1.000 240 T CA -0.512 61.677 62.100 0.149 0.000 0.977 240 T CB 0.996 70.102 68.868 0.397 0.000 0.979 240 T HN 0.330 nan 8.240 nan 0.000 0.446 241 M N 3.910 123.465 119.600 -0.076 0.000 2.066 241 M HA 0.498 4.970 4.480 -0.014 0.000 0.340 241 M C -0.443 175.710 176.300 -0.246 0.000 1.053 241 M CA -0.733 54.429 55.300 -0.231 0.000 0.983 241 M CB 0.568 32.987 32.600 -0.302 0.000 1.520 241 M HN 0.452 nan 8.290 nan 0.000 0.428 242 R N 4.633 124.867 120.500 -0.443 0.000 2.207 242 R HA 0.512 4.843 4.340 -0.014 0.000 0.334 242 R C -1.844 174.146 176.300 -0.517 0.000 1.013 242 R CA -0.563 55.216 56.100 -0.536 0.000 0.858 242 R CB 0.779 30.555 30.300 -0.875 0.000 1.094 242 R HN 0.651 nan 8.270 nan 0.000 0.457 243 L N 5.723 126.760 121.223 -0.311 0.000 2.296 243 L HA 0.443 4.775 4.340 -0.014 0.000 0.286 243 L C -0.963 175.863 176.870 -0.072 0.000 1.023 243 L CA -0.513 54.247 54.840 -0.134 0.000 0.812 243 L CB 1.080 43.148 42.059 0.015 0.000 1.223 243 L HN 0.623 nan 8.230 nan 0.000 0.421 244 W N 2.344 123.759 121.300 0.192 0.000 2.316 244 W HA 0.589 5.241 4.660 -0.014 0.000 0.321 244 W C 0.560 177.302 176.519 0.372 0.000 1.203 244 W CA -0.259 57.227 57.345 0.235 0.000 1.214 244 W CB 1.379 30.839 29.460 -0.001 0.000 1.169 244 W HN 0.409 nan 8.180 nan 0.000 0.561 245 S N 1.452 117.583 115.700 0.717 0.000 2.500 245 S HA 0.755 5.217 4.470 -0.014 0.000 0.301 245 S C -0.496 174.462 174.600 0.596 0.000 1.092 245 S CA -0.724 57.796 58.200 0.533 0.000 1.030 245 S CB 0.708 64.168 63.200 0.434 0.000 1.031 245 S HN 0.511 nan 8.310 nan 0.000 0.483 246 A N 4.504 127.503 122.820 0.298 0.000 2.366 246 A HA 0.659 4.970 4.320 -0.014 0.000 0.272 246 A C -0.097 177.577 177.584 0.150 0.000 1.135 246 A CA -0.211 51.893 52.037 0.112 0.000 0.804 246 A CB 0.373 19.182 19.000 -0.318 0.000 1.064 246 A HN 0.632 nan 8.150 nan 0.000 0.499 247 K N 0.981 121.488 120.400 0.178 0.000 2.464 247 K HA 0.610 4.921 4.320 -0.014 0.000 0.253 247 K C -0.713 175.954 176.600 0.111 0.000 0.933 247 K CA -0.440 55.931 56.287 0.139 0.000 0.801 247 K CB 2.301 34.899 32.500 0.163 0.000 1.271 247 K HN 0.845 nan 8.250 nan 0.000 0.430 248 A N 4.143 127.012 122.820 0.081 0.000 2.354 248 A HA 0.519 4.830 4.320 -0.014 0.000 0.269 248 A C -2.196 175.434 177.584 0.077 0.000 1.109 248 A CA -1.187 50.894 52.037 0.073 0.000 0.800 248 A CB -0.089 18.943 19.000 0.054 0.000 1.045 248 A HN 0.346 nan 8.150 nan 0.000 0.489 249 P HA 0.087 nan 4.420 nan 0.000 0.272 249 P C 0.010 177.355 177.300 0.074 0.000 1.223 249 P CA -0.359 62.790 63.100 0.082 0.000 0.784 249 P CB 0.659 32.420 31.700 0.101 0.000 0.923 250 N N 1.011 119.745 118.700 0.057 0.000 2.412 250 N HA -0.083 4.648 4.740 -0.014 0.000 0.184 250 N C 0.544 176.078 175.510 0.041 0.000 1.101 250 N CA 0.364 53.441 53.050 0.046 0.000 0.881 250 N CB -0.368 38.141 38.487 0.036 0.000 0.969 250 N HN 0.408 nan 8.380 nan 0.000 0.459 251 D N 0.807 121.231 120.400 0.039 0.000 2.125 251 D HA -0.098 4.534 4.640 -0.014 0.000 0.266 251 D C 1.600 177.914 176.300 0.023 0.000 1.124 251 D CA 0.048 54.040 54.000 -0.012 0.000 0.913 251 D CB -1.063 39.698 40.800 -0.064 0.000 0.964 251 D HN 0.065 nan 8.370 nan 0.000 0.370 252 F N 0.773 120.742 119.950 0.032 0.000 2.141 252 F HA -0.204 4.315 4.527 -0.014 0.000 0.300 252 F C 1.528 177.353 175.800 0.042 0.000 1.079 252 F CA 1.224 59.250 58.000 0.042 0.000 1.264 252 F CB -0.429 38.596 39.000 0.041 0.000 1.011 252 F HN 0.037 nan 8.300 nan 0.000 0.487 253 N N 0.778 119.613 118.700 0.225 0.000 3.115 253 N HA 0.066 4.798 4.740 -0.014 0.000 0.305 253 N C 0.580 176.144 175.510 0.091 0.000 1.305 253 N CA 0.129 53.258 53.050 0.132 0.000 1.154 253 N CB 0.027 38.570 38.487 0.093 0.000 1.454 253 N HN 0.138 nan 8.380 nan 0.000 0.551 254 L N -0.630 120.660 121.223 0.111 0.000 1.433 254 L HA -0.119 4.213 4.340 -0.014 0.000 0.146 254 L C 1.343 178.277 176.870 0.107 0.000 1.334 254 L CA 0.867 55.759 54.840 0.087 0.000 1.267 254 L CB -0.981 41.117 42.059 0.066 0.000 2.547 254 L HN 0.283 nan 8.230 nan 0.000 0.476 255 K N 0.349 120.789 120.400 0.067 0.000 2.296 255 K HA -0.040 4.271 4.320 -0.014 0.000 0.200 255 K C 0.508 177.156 176.600 0.080 0.000 1.048 255 K CA 1.099 57.376 56.287 -0.017 0.000 0.966 255 K CB -0.050 32.318 32.500 -0.220 0.000 0.754 255 K HN 0.160 nan 8.250 nan 0.000 0.466 256 D N 2.115 122.675 120.400 0.267 0.000 2.441 256 D HA -0.021 4.611 4.640 -0.014 0.000 0.243 256 D C -0.187 176.331 176.300 0.364 0.000 1.257 256 D CA -0.175 54.078 54.000 0.423 0.000 1.027 256 D CB -0.143 40.930 40.800 0.455 0.000 1.084 256 D HN 0.200 nan 8.370 nan 0.000 0.514 257 F N 1.420 121.415 119.950 0.074 0.000 2.331 257 F HA 0.297 4.815 4.527 -0.014 0.000 0.293 257 F C 0.586 176.416 175.800 0.051 0.000 1.277 257 F CA -1.842 56.190 58.000 0.053 0.000 1.204 257 F CB -0.315 38.703 39.000 0.030 0.000 1.374 257 F HN 0.355 nan 8.300 nan 0.000 0.520 258 N N -0.562 118.010 118.700 -0.212 0.000 3.246 258 N HA 0.050 4.782 4.740 -0.014 0.000 0.254 258 N C -1.669 173.777 175.510 -0.108 0.000 1.080 258 N CA 0.486 53.351 53.050 -0.308 0.000 0.670 258 N CB -0.939 37.224 38.487 -0.540 0.000 1.082 258 N HN 0.832 nan 8.380 nan 0.000 0.581 259 V N -1.589 118.312 119.914 -0.020 0.000 3.627 259 V HA -0.042 4.070 4.120 -0.014 0.000 0.518 259 V C 1.331 177.433 176.094 0.013 0.000 0.682 259 V CA 1.615 63.918 62.300 0.005 0.000 2.073 259 V CB -0.863 30.953 31.823 -0.012 0.000 2.489 259 V HN 0.990 nan 8.190 nan 0.000 0.513 260 G N 1.023 109.840 108.800 0.028 0.000 3.758 260 G HA2 0.667 4.619 3.960 -0.014 0.000 0.206 260 G HA3 0.667 4.619 3.960 -0.014 0.000 0.206 260 G C 0.883 175.804 174.900 0.034 0.000 0.946 260 G CA 1.203 46.318 45.100 0.025 0.000 0.885 260 G HN 2.996 nan 8.290 nan 0.000 0.392 261 G N -1.002 107.833 108.800 0.058 0.000 3.014 261 G HA2 0.261 4.212 3.960 -0.014 0.000 0.683 261 G HA3 0.261 4.212 3.960 -0.014 0.000 0.683 261 G C -0.075 174.884 174.900 0.098 0.000 1.271 261 G CA 0.198 45.343 45.100 0.075 0.000 0.843 261 G HN 1.407 nan 8.290 nan 0.000 0.612 262 Y N 3.311 123.626 120.300 0.026 0.000 2.163 262 Y HA -0.009 4.532 4.550 -0.014 0.000 0.288 262 Y C 2.501 178.415 175.900 0.024 0.000 1.136 262 Y CA 2.170 60.287 58.100 0.028 0.000 1.147 262 Y CB 0.004 38.478 38.460 0.024 0.000 0.987 262 Y HN 0.492 nan 8.280 nan 0.000 0.509 263 I N 0.512 121.026 120.570 -0.093 0.000 2.142 263 I HA -0.289 3.873 4.170 -0.014 0.000 0.240 263 I C 2.386 178.407 176.117 -0.160 0.000 1.078 263 I CA 1.438 62.633 61.300 -0.175 0.000 1.343 263 I CB -1.399 36.602 38.000 0.002 0.000 1.046 263 I HN 0.344 nan 8.210 nan 0.000 0.405 264 Q N 0.714 120.470 119.800 -0.073 0.000 2.135 264 Q HA -0.145 4.187 4.340 -0.014 0.000 0.204 264 Q C 2.352 178.310 176.000 -0.070 0.000 0.981 264 Q CA 1.983 57.755 55.803 -0.052 0.000 0.856 264 Q CB -0.377 28.351 28.738 -0.017 0.000 0.902 264 Q HN 0.547 nan 8.270 nan 0.000 0.425 265 A N -0.319 122.448 122.820 -0.089 0.000 1.908 265 A HA -0.139 4.173 4.320 -0.014 0.000 0.218 265 A C 2.383 179.899 177.584 -0.113 0.000 1.181 265 A CA 1.707 53.699 52.037 -0.075 0.000 0.627 265 A CB -0.615 18.354 19.000 -0.051 0.000 0.818 265 A HN 0.239 nan 8.150 nan 0.000 0.445 266 V N 0.100 119.881 119.914 -0.221 0.000 2.453 266 V HA -0.187 3.925 4.120 -0.014 0.000 0.247 266 V C 2.463 178.493 176.094 -0.106 0.000 1.048 266 V CA 1.672 63.855 62.300 -0.195 0.000 1.049 266 V CB -0.645 30.982 31.823 -0.327 0.000 0.672 266 V HN 0.563 nan 8.190 nan 0.000 0.457 267 L N -0.307 120.858 121.223 -0.096 0.000 2.201 267 L HA -0.110 4.222 4.340 -0.014 0.000 0.212 267 L C 1.839 178.690 176.870 -0.032 0.000 1.105 267 L CA 1.083 55.892 54.840 -0.052 0.000 0.775 267 L CB -0.599 41.435 42.059 -0.043 0.000 0.913 267 L HN 0.321 nan 8.230 nan 0.000 0.440 268 D N 0.025 120.404 120.400 -0.034 0.000 2.363 268 D HA -0.048 4.583 4.640 -0.014 0.000 0.226 268 D C 2.102 178.396 176.300 -0.009 0.000 1.020 268 D CA 0.399 54.388 54.000 -0.018 0.000 0.892 268 D CB 0.090 40.881 40.800 -0.015 0.000 0.900 268 D HN 0.208 nan 8.370 nan 0.000 0.531 269 R N 0.357 120.851 120.500 -0.010 0.000 2.148 269 R HA 0.027 4.358 4.340 -0.014 0.000 0.227 269 R C 0.382 176.687 176.300 0.008 0.000 1.103 269 R CA 0.493 56.595 56.100 0.005 0.000 0.983 269 R CB 0.004 30.306 30.300 0.005 0.000 0.874 269 R HN 0.050 nan 8.270 nan 0.000 0.451 270 N N 1.094 119.798 118.700 0.006 0.000 3.178 270 N HA 0.012 4.743 4.740 -0.014 0.000 0.300 270 N C 0.011 175.524 175.510 0.005 0.000 1.242 270 N CA 0.480 53.537 53.050 0.012 0.000 1.192 270 N CB 1.078 39.575 38.487 0.016 0.000 1.463 270 N HN 0.110 nan 8.380 nan 0.000 0.539 271 L N -0.531 120.691 121.223 -0.002 0.000 3.188 271 L HA 0.216 4.547 4.340 -0.014 0.000 0.327 271 L C 1.579 178.431 176.870 -0.030 0.000 1.009 271 L CA 0.455 55.288 54.840 -0.011 0.000 1.373 271 L CB -0.141 41.912 42.059 -0.010 0.000 2.331 271 L HN 0.245 nan 8.230 nan 0.000 0.594 272 A N -0.898 121.907 122.820 -0.025 0.000 2.115 272 A HA 0.139 4.450 4.320 -0.014 0.000 0.211 272 A C 1.662 179.207 177.584 -0.065 0.000 1.169 272 A CA 0.654 52.663 52.037 -0.047 0.000 0.787 272 A CB -0.069 18.931 19.000 0.001 0.000 0.858 272 A HN 0.380 nan 8.150 nan 0.000 0.474 273 E N 0.172 120.356 120.200 -0.026 0.000 2.478 273 E HA -0.010 4.332 4.350 -0.014 0.000 0.194 273 E C 0.776 177.368 176.600 -0.013 0.000 1.045 273 E CA -0.138 56.253 56.400 -0.015 0.000 0.868 273 E CB 0.012 29.728 29.700 0.027 0.000 0.885 273 E HN 0.390 nan 8.360 nan 0.000 0.505 274 N N 0.910 119.600 118.700 -0.017 0.000 2.459 274 N HA -0.033 4.699 4.740 -0.014 0.000 0.181 274 N C 1.576 177.086 175.510 -0.000 0.000 1.046 274 N CA 0.498 53.556 53.050 0.013 0.000 0.904 274 N CB 0.077 38.570 38.487 0.010 0.000 0.964 274 N HN 0.229 nan 8.380 nan 0.000 0.444 275 I N 0.388 120.901 120.570 -0.095 0.000 2.194 275 I HA -0.259 3.903 4.170 -0.014 0.000 0.246 275 I C 1.434 177.513 176.117 -0.063 0.000 1.093 275 I CA 1.299 62.508 61.300 -0.151 0.000 1.355 275 I CB -0.133 37.611 38.000 -0.427 0.000 1.046 275 I HN 0.133 nan 8.210 nan 0.000 0.413 276 S N -0.542 115.117 115.700 -0.067 0.000 2.582 276 S HA 0.165 4.627 4.470 -0.014 0.000 0.234 276 S C 1.490 176.224 174.600 0.224 0.000 0.961 276 S CA -0.542 57.703 58.200 0.076 0.000 0.953 276 S CB 0.168 63.398 63.200 0.050 0.000 0.800 276 S HN 0.240 nan 8.310 nan 0.000 0.471 277 R N 1.062 121.695 120.500 0.221 0.000 2.062 277 R HA 0.238 4.569 4.340 -0.014 0.000 0.229 277 R C 0.452 177.005 176.300 0.421 0.000 1.128 277 R CA 1.216 57.491 56.100 0.292 0.000 0.960 277 R CB -0.163 30.280 30.300 0.238 0.000 0.855 277 R HN 0.391 nan 8.270 nan 0.000 0.432 278 V N 0.229 120.347 119.914 0.339 0.000 2.971 278 V HA 0.383 4.494 4.120 -0.014 0.000 0.309 278 V C -1.511 174.531 176.094 -0.087 0.000 1.130 278 V CA -1.335 61.087 62.300 0.203 0.000 0.964 278 V CB 1.839 33.707 31.823 0.075 0.000 1.029 278 V HN 0.184 nan 8.190 nan 0.000 0.427 279 L N 5.786 126.710 121.223 -0.499 0.000 2.371 279 L HA 0.531 4.863 4.340 -0.014 0.000 0.272 279 L C -0.984 175.696 176.870 -0.317 0.000 1.124 279 L CA 0.301 54.622 54.840 -0.865 0.000 0.816 279 L CB 0.875 42.321 42.059 -1.021 0.000 1.129 279 L HN 0.688 nan 8.230 nan 0.000 0.448 280 Y N 5.932 126.142 120.300 -0.150 0.000 2.496 280 Y HA 0.246 4.788 4.550 -0.014 0.000 0.334 280 Y C -1.442 174.452 175.900 -0.010 0.000 1.080 280 Y CA -1.330 56.759 58.100 -0.019 0.000 1.355 280 Y CB 0.531 39.009 38.460 0.030 0.000 1.193 280 Y HN 0.557 nan 8.280 nan 0.000 0.523 281 P HA 0.007 nan 4.420 nan 0.000 0.249 281 P C -0.921 176.509 177.300 0.216 0.000 1.593 281 P CA 0.195 63.401 63.100 0.177 0.000 0.896 281 P CB 0.013 31.904 31.700 0.318 0.000 1.581 282 N N 1.127 119.965 118.700 0.230 0.000 2.456 282 N HA 0.180 4.911 4.740 -0.014 0.000 0.288 282 N C -0.535 175.128 175.510 0.254 0.000 1.059 282 N CA 0.096 53.303 53.050 0.260 0.000 0.946 282 N CB 1.380 40.061 38.487 0.324 0.000 1.150 282 N HN 0.099 nan 8.380 nan 0.000 0.479 283 D N 1.518 122.104 120.400 0.311 0.000 2.502 283 D HA 0.149 4.781 4.640 -0.014 0.000 0.249 283 D C -0.373 176.210 176.300 0.472 0.000 1.092 283 D CA -0.218 53.989 54.000 0.345 0.000 0.839 283 D CB 0.616 41.626 40.800 0.350 0.000 1.264 283 D HN 0.358 nan 8.370 nan 0.000 0.511 284 N N 2.641 121.541 118.700 0.332 0.000 2.725 284 N HA -0.256 4.475 4.740 -0.014 0.000 0.251 284 N C -1.237 174.508 175.510 0.392 0.000 1.031 284 N CA 0.773 53.984 53.050 0.268 0.000 0.720 284 N CB -0.968 37.587 38.487 0.113 0.000 0.930 284 N HN 0.406 nan 8.380 nan 0.000 0.543 285 F N 0.554 120.607 119.950 0.173 0.000 2.622 285 F HA 0.408 4.926 4.527 -0.014 0.000 0.318 285 F C -1.396 174.488 175.800 0.140 0.000 1.135 285 F CA -1.064 57.011 58.000 0.126 0.000 1.015 285 F CB 0.916 39.958 39.000 0.070 0.000 1.275 285 F HN -0.023 nan 8.300 nan 0.000 0.457 286 F N 5.820 125.326 119.950 -0.740 0.000 2.415 286 F HA 0.522 5.041 4.527 -0.014 0.000 0.348 286 F C -0.488 174.923 175.800 -0.648 0.000 1.119 286 F CA -0.134 57.529 58.000 -0.562 0.000 1.069 286 F CB 0.817 39.522 39.000 -0.491 0.000 1.124 286 F HN 0.492 nan 8.300 nan 0.000 0.472 287 E N 3.852 123.450 120.200 -1.003 0.000 2.155 287 E HA 0.254 4.596 4.350 -0.014 0.000 0.264 287 E C -0.244 175.593 176.600 -1.272 0.000 0.886 287 E CA -0.719 55.168 56.400 -0.856 0.000 0.752 287 E CB 1.651 31.198 29.700 -0.255 0.000 1.133 287 E HN 0.930 nan 8.360 nan 0.000 0.414 288 G N 4.543 112.593 108.800 -1.251 0.000 3.458 288 G HA2 0.039 3.990 3.960 -0.014 0.000 0.256 288 G HA3 0.039 3.990 3.960 -0.014 0.000 0.256 288 G C 0.066 174.924 174.900 -0.070 0.000 0.938 288 G CA -0.228 44.355 45.100 -0.862 0.000 1.890 288 G HN 0.123 nan 8.290 nan 0.000 0.639 289 K N 0.377 120.787 120.400 0.017 0.000 2.110 289 K HA 0.215 4.527 4.320 -0.014 0.000 0.263 289 K C 0.977 177.717 176.600 0.232 0.000 0.975 289 K CA -0.800 55.568 56.287 0.135 0.000 0.895 289 K CB 2.187 34.759 32.500 0.120 0.000 1.060 289 K HN 0.414 nan 8.250 nan 0.000 0.448 290 E N 1.391 121.686 120.200 0.158 0.000 2.077 290 E HA -0.193 4.148 4.350 -0.014 0.000 0.193 290 E C 1.490 178.117 176.600 0.045 0.000 0.989 290 E CA 0.843 57.285 56.400 0.069 0.000 0.800 290 E CB 0.160 29.904 29.700 0.073 0.000 0.746 290 E HN 0.385 nan 8.360 nan 0.000 0.452 291 L N 1.484 122.781 121.223 0.124 0.000 2.042 291 L HA -0.199 4.133 4.340 -0.014 0.000 0.210 291 L C 2.421 179.409 176.870 0.196 0.000 1.076 291 L CA 1.678 56.616 54.840 0.164 0.000 0.749 291 L CB -0.614 41.611 42.059 0.276 0.000 0.893 291 L HN 0.043 nan 8.230 nan 0.000 0.432 292 R N -0.468 120.116 120.500 0.140 0.000 2.080 292 R HA -0.154 4.177 4.340 -0.014 0.000 0.236 292 R C 2.263 178.625 176.300 0.102 0.000 1.137 292 R CA 1.883 57.995 56.100 0.021 0.000 0.943 292 R CB -1.349 28.787 30.300 -0.273 0.000 0.846 292 R HN 0.418 nan 8.270 nan 0.000 0.431 293 L N 1.626 122.813 121.223 -0.060 0.000 2.043 293 L HA -0.175 4.157 4.340 -0.014 0.000 0.212 293 L C 2.026 178.847 176.870 -0.083 0.000 1.075 293 L CA 1.949 56.549 54.840 -0.400 0.000 0.752 293 L CB -0.454 41.045 42.059 -0.932 0.000 0.891 293 L HN 0.087 nan 8.230 nan 0.000 0.432 294 K N -1.136 119.263 120.400 -0.003 0.000 2.097 294 K HA -0.191 4.120 4.320 -0.014 0.000 0.206 294 K C 2.105 178.860 176.600 0.258 0.000 1.049 294 K CA 1.750 58.103 56.287 0.109 0.000 0.933 294 K CB -0.127 32.285 32.500 -0.146 0.000 0.717 294 K HN 0.522 nan 8.250 nan 0.000 0.442 295 Q N 0.330 120.258 119.800 0.213 0.000 2.084 295 Q HA -0.182 4.149 4.340 -0.014 0.000 0.202 295 Q C 1.913 178.113 176.000 0.333 0.000 0.978 295 Q CA 1.370 57.352 55.803 0.298 0.000 0.844 295 Q CB 0.013 28.955 28.738 0.339 0.000 0.898 295 Q HN 0.375 nan 8.270 nan 0.000 0.426 296 E N -0.138 120.215 120.200 0.255 0.000 2.077 296 E HA -0.210 4.131 4.350 -0.014 0.000 0.193 296 E C 1.732 178.448 176.600 0.195 0.000 0.989 296 E CA 1.040 57.573 56.400 0.221 0.000 0.800 296 E CB -0.117 29.693 29.700 0.183 0.000 0.746 296 E HN 0.310 nan 8.360 nan 0.000 0.452 297 Y N 0.341 120.688 120.300 0.078 0.000 2.263 297 Y HA -0.205 4.336 4.550 -0.014 0.000 0.292 297 Y C 1.927 177.861 175.900 0.057 0.000 1.130 297 Y CA 0.979 59.077 58.100 -0.004 0.000 1.179 297 Y CB -0.386 38.026 38.460 -0.081 0.000 0.998 297 Y HN 0.023 nan 8.280 nan 0.000 0.532 298 F N -0.191 119.741 119.950 -0.031 0.000 2.043 298 F HA -0.271 4.248 4.527 -0.014 0.000 0.297 298 F C 2.506 178.144 175.800 -0.270 0.000 1.121 298 F CA 2.158 60.096 58.000 -0.103 0.000 1.199 298 F CB -1.164 37.922 39.000 0.143 0.000 0.968 298 F HN -0.081 nan 8.300 nan 0.000 0.478 299 V N -0.412 119.431 119.914 -0.118 0.000 2.490 299 V HA -0.202 3.910 4.120 -0.014 0.000 0.250 299 V C 2.140 178.079 176.094 -0.258 0.000 1.061 299 V CA 1.839 64.034 62.300 -0.174 0.000 1.064 299 V CB -0.365 31.572 31.823 0.189 0.000 0.670 299 V HN 0.295 nan 8.190 nan 0.000 0.461 300 V N 0.217 119.982 119.914 -0.249 0.000 2.283 300 V HA -0.120 3.991 4.120 -0.014 0.000 0.243 300 V C 2.789 178.626 176.094 -0.429 0.000 1.039 300 V CA 1.963 64.109 62.300 -0.255 0.000 1.016 300 V CB -1.038 30.698 31.823 -0.145 0.000 0.650 300 V HN 0.620 nan 8.190 nan 0.000 0.449 301 A N 0.024 122.420 122.820 -0.707 0.000 1.883 301 A HA -0.195 4.116 4.320 -0.014 0.000 0.217 301 A C 2.396 179.619 177.584 -0.602 0.000 1.186 301 A CA 2.467 54.081 52.037 -0.705 0.000 0.624 301 A CB -0.900 17.435 19.000 -1.108 0.000 0.822 301 A HN 0.586 nan 8.150 nan 0.000 0.444 302 A N -1.220 121.089 122.820 -0.853 0.000 1.873 302 A HA -0.067 4.244 4.320 -0.014 0.000 0.215 302 A C 2.324 179.448 177.584 -0.766 0.000 1.186 302 A CA 2.300 53.673 52.037 -1.106 0.000 0.616 302 A CB -1.378 16.326 19.000 -2.160 0.000 0.823 302 A HN 0.435 nan 8.150 nan 0.000 0.442 303 T N 0.530 114.743 114.554 -0.567 0.000 2.684 303 T HA -0.143 4.199 4.350 -0.014 0.000 0.267 303 T C 1.825 176.256 174.700 -0.448 0.000 1.036 303 T CA 1.572 63.458 62.100 -0.357 0.000 1.148 303 T CB -0.423 68.212 68.868 -0.388 0.000 0.863 303 T HN 0.333 nan 8.240 nan 0.000 0.436 304 L N 0.626 121.628 121.223 -0.368 0.000 2.046 304 L HA -0.169 4.163 4.340 -0.014 0.000 0.208 304 L C 2.942 179.689 176.870 -0.206 0.000 1.077 304 L CA 1.432 56.102 54.840 -0.283 0.000 0.747 304 L CB -0.491 41.442 42.059 -0.210 0.000 0.896 304 L HN 0.345 nan 8.230 nan 0.000 0.432 305 Q N -0.690 118.996 119.800 -0.190 0.000 2.124 305 Q HA -0.253 4.079 4.340 -0.014 0.000 0.202 305 Q C 1.723 177.689 176.000 -0.057 0.000 0.977 305 Q CA 1.675 57.417 55.803 -0.102 0.000 0.850 305 Q CB -0.119 28.553 28.738 -0.110 0.000 0.901 305 Q HN 0.416 nan 8.270 nan 0.000 0.429 306 D N 0.388 120.744 120.400 -0.073 0.000 2.144 306 D HA -0.067 4.564 4.640 -0.014 0.000 0.200 306 D C 1.629 177.861 176.300 -0.114 0.000 0.978 306 D CA 0.746 54.740 54.000 -0.010 0.000 0.833 306 D CB 0.049 40.937 40.800 0.146 0.000 0.961 306 D HN 0.172 nan 8.370 nan 0.000 0.470 307 I N -0.012 120.385 120.570 -0.289 0.000 2.202 307 I HA -0.200 3.962 4.170 -0.014 0.000 0.242 307 I C 2.229 178.356 176.117 0.017 0.000 1.091 307 I CA 0.662 61.745 61.300 -0.362 0.000 1.368 307 I CB -0.047 37.575 38.000 -0.629 0.000 1.058 307 I HN 0.002 nan 8.210 nan 0.000 0.410 308 I N 0.367 120.994 120.570 0.095 0.000 2.315 308 I HA -0.283 3.879 4.170 -0.014 0.000 0.248 308 I C 2.766 179.034 176.117 0.253 0.000 1.117 308 I CA 1.093 62.564 61.300 0.284 0.000 1.404 308 I CB -0.358 37.760 38.000 0.197 0.000 1.071 308 I HN 0.192 nan 8.210 nan 0.000 0.419 309 R N 1.186 121.765 120.500 0.131 0.000 2.083 309 R HA -0.221 4.111 4.340 -0.014 0.000 0.237 309 R C 2.463 178.827 176.300 0.108 0.000 1.137 309 R CA 1.713 57.875 56.100 0.103 0.000 0.951 309 R CB -0.288 30.051 30.300 0.064 0.000 0.851 309 R HN 0.197 nan 8.270 nan 0.000 0.434 310 R N -0.682 119.884 120.500 0.110 0.000 2.105 310 R HA -0.173 4.158 4.340 -0.014 0.000 0.239 310 R C 2.181 178.581 176.300 0.167 0.000 1.135 310 R CA 1.820 57.997 56.100 0.128 0.000 0.967 310 R CB -0.364 30.011 30.300 0.126 0.000 0.861 310 R HN 0.288 nan 8.270 nan 0.000 0.442 311 F N 1.601 121.576 119.950 0.043 0.000 2.146 311 F HA -0.115 4.403 4.527 -0.014 0.000 0.298 311 F C 1.723 177.477 175.800 -0.077 0.000 1.096 311 F CA 1.450 59.434 58.000 -0.027 0.000 1.275 311 F CB -0.041 38.985 39.000 0.043 0.000 1.008 311 F HN -0.174 nan 8.300 nan 0.000 0.480 312 K N -0.008 120.313 120.400 -0.130 0.000 2.211 312 K HA -0.116 4.195 4.320 -0.014 0.000 0.204 312 K C 2.140 178.645 176.600 -0.160 0.000 1.047 312 K CA 1.389 57.536 56.287 -0.235 0.000 0.935 312 K CB -0.253 32.238 32.500 -0.015 0.000 0.728 312 K HN 0.286 nan 8.250 nan 0.000 0.452 313 S N 0.258 115.927 115.700 -0.050 0.000 2.315 313 S HA -0.051 4.411 4.470 -0.014 0.000 0.211 313 S C 1.352 175.969 174.600 0.029 0.000 1.029 313 S CA 0.333 58.555 58.200 0.037 0.000 0.956 313 S CB -0.106 63.175 63.200 0.135 0.000 0.918 313 S HN 0.266 nan 8.310 nan 0.000 0.470 314 S N 0.775 116.502 115.700 0.046 0.000 4.134 314 S HA -0.299 4.163 4.470 -0.014 0.000 0.538 314 S C 1.023 175.634 174.600 0.018 0.000 1.224 314 S CA 2.150 60.387 58.200 0.062 0.000 3.613 314 S CB -0.631 62.637 63.200 0.114 0.000 2.065 314 S HN 0.481 nan 8.310 nan 0.000 0.493 315 K N -0.521 119.935 120.400 0.093 0.000 2.483 315 K HA 0.468 4.780 4.320 -0.014 0.000 0.206 315 K C 0.990 177.470 176.600 -0.200 0.000 1.086 315 K CA 0.032 56.259 56.287 -0.100 0.000 1.052 315 K CB 0.208 32.598 32.500 -0.185 0.000 0.904 315 K HN 0.411 nan 8.250 nan 0.000 0.557 316 F N -1.156 118.661 119.950 -0.222 0.000 2.446 316 F HA 0.197 4.716 4.527 -0.014 0.000 0.292 316 F C 1.786 177.469 175.800 -0.194 0.000 1.096 316 F CA -0.002 57.852 58.000 -0.244 0.000 1.438 316 F CB 0.436 39.176 39.000 -0.434 0.000 1.107 316 F HN 0.031 nan 8.300 nan 0.000 0.546 317 G N -1.340 107.478 108.800 0.029 0.000 3.452 317 G HA2 0.208 4.159 3.960 -0.014 0.000 0.258 317 G HA3 0.208 4.159 3.960 -0.014 0.000 0.258 317 G C 0.178 175.080 174.900 0.003 0.000 1.305 317 G CA 0.272 45.374 45.100 0.002 0.000 1.514 317 G HN 0.422 nan 8.290 nan 0.000 0.593 318 C N -1.440 117.846 119.300 -0.022 0.000 3.692 318 C HA 0.355 4.807 4.460 -0.014 0.000 0.448 318 C C 1.304 176.263 174.990 -0.052 0.000 1.278 318 C CA 0.735 59.733 59.018 -0.034 0.000 2.229 318 C CB 0.516 28.224 27.740 -0.053 0.000 2.815 318 C HN 0.587 nan 8.230 nan 0.000 0.440 319 R N 1.046 121.492 120.500 -0.091 0.000 3.039 319 R HA 0.369 4.700 4.340 -0.014 0.000 0.092 319 R C -0.408 175.795 176.300 -0.161 0.000 0.608 319 R CA 0.965 57.005 56.100 -0.101 0.000 0.426 319 R CB -1.002 29.242 30.300 -0.092 0.000 0.385 319 R HN 0.274 nan 8.270 nan 0.000 0.326 320 D N -0.316 119.955 120.400 -0.214 0.000 3.555 320 D HA -0.134 4.498 4.640 -0.014 0.000 0.215 320 D C -1.635 174.568 176.300 -0.162 0.000 1.480 320 D CA 1.449 55.271 54.000 -0.297 0.000 1.126 320 D CB -1.279 39.145 40.800 -0.627 0.000 0.676 320 D HN 0.412 nan 8.370 nan 0.000 0.824 321 P HA 0.050 nan 4.420 nan 0.000 0.225 321 P C 0.361 177.649 177.300 -0.021 0.000 1.148 321 P CA 0.857 63.931 63.100 -0.044 0.000 0.779 321 P CB 0.244 31.945 31.700 0.003 0.000 0.780 322 V N -0.518 119.382 119.914 -0.022 0.000 3.559 322 V HA -0.213 3.898 4.120 -0.014 0.000 0.476 322 V C -0.253 175.856 176.094 0.024 0.000 0.682 322 V CA 1.179 63.477 62.300 -0.003 0.000 1.988 322 V CB -1.245 30.570 31.823 -0.013 0.000 2.423 322 V HN 0.576 nan 8.190 nan 0.000 0.500 323 R N 2.848 123.372 120.500 0.039 0.000 7.363 323 R HA 0.017 4.349 4.340 -0.014 0.000 0.261 323 R C 0.026 176.365 176.300 0.066 0.000 0.794 323 R CA 0.498 56.630 56.100 0.054 0.000 1.826 323 R CB -0.239 30.097 30.300 0.059 0.000 1.258 323 R HN 0.818 nan 8.270 nan 0.000 0.877 324 T N 2.822 117.406 114.554 0.050 0.000 3.042 324 T HA -0.050 4.292 4.350 -0.014 0.000 0.220 324 T C 0.251 174.970 174.700 0.033 0.000 1.051 324 T CA 0.403 62.496 62.100 -0.011 0.000 2.347 324 T CB -0.812 68.076 68.868 0.033 0.000 1.061 324 T HN 0.355 nan 8.240 nan 0.000 0.540 325 N N 1.294 120.031 118.700 0.062 0.000 2.420 325 N HA 0.288 5.020 4.740 -0.014 0.000 0.249 325 N C 0.168 175.749 175.510 0.119 0.000 1.033 325 N CA -0.535 52.603 53.050 0.146 0.000 0.944 325 N CB 0.416 39.008 38.487 0.174 0.000 1.113 325 N HN 0.384 nan 8.380 nan 0.000 0.502 326 F N 0.691 120.733 119.950 0.154 0.000 2.816 326 F HA 0.019 4.538 4.527 -0.014 0.000 0.302 326 F C 1.577 177.429 175.800 0.087 0.000 1.178 326 F CA 0.192 58.251 58.000 0.099 0.000 1.421 326 F CB 0.155 39.090 39.000 -0.108 0.000 1.114 326 F HN 0.564 nan 8.300 nan 0.000 0.573 327 D N 0.254 120.797 120.400 0.238 0.000 2.218 327 D HA -0.127 4.504 4.640 -0.014 0.000 0.204 327 D C 2.104 178.512 176.300 0.180 0.000 0.976 327 D CA 1.185 55.293 54.000 0.181 0.000 0.853 327 D CB 0.130 41.024 40.800 0.157 0.000 0.939 327 D HN 0.333 nan 8.370 nan 0.000 0.481 328 A N -0.162 122.802 122.820 0.241 0.000 2.275 328 A HA 0.079 4.391 4.320 -0.014 0.000 0.212 328 A C 1.572 179.219 177.584 0.106 0.000 1.201 328 A CA -0.381 51.807 52.037 0.251 0.000 0.843 328 A CB -0.579 18.727 19.000 0.510 0.000 0.873 328 A HN 0.124 nan 8.150 nan 0.000 0.492 329 F N 2.004 121.814 119.950 -0.233 0.000 2.065 329 F HA -0.144 4.375 4.527 -0.014 0.000 0.298 329 F C -0.754 174.865 175.800 -0.302 0.000 1.112 329 F CA 2.557 60.177 58.000 -0.633 0.000 1.212 329 F CB -0.475 38.225 39.000 -0.500 0.000 0.975 329 F HN 0.207 nan 8.300 nan 0.000 0.476 330 P HA -0.096 nan 4.420 nan 0.000 0.225 330 P C 0.590 177.828 177.300 -0.104 0.000 1.148 330 P CA 1.429 64.465 63.100 -0.107 0.000 0.779 330 P CB -0.070 31.614 31.700 -0.027 0.000 0.780 331 D N -1.034 119.333 120.400 -0.055 0.000 2.333 331 D HA -0.011 4.620 4.640 -0.014 0.000 0.208 331 D C 1.552 177.846 176.300 -0.010 0.000 0.984 331 D CA 0.820 54.820 54.000 0.001 0.000 0.873 331 D CB 0.129 40.974 40.800 0.075 0.000 0.935 331 D HN 0.109 nan 8.370 nan 0.000 0.521 332 K N -0.118 120.229 120.400 -0.089 0.000 2.391 332 K HA 0.216 4.527 4.320 -0.014 0.000 0.197 332 K C 0.063 176.539 176.600 -0.206 0.000 1.087 332 K CA 0.110 56.355 56.287 -0.070 0.000 1.012 332 K CB 2.140 34.689 32.500 0.081 0.000 0.925 332 K HN -0.055 nan 8.250 nan 0.000 0.547 333 V N 0.787 120.463 119.914 -0.397 0.000 2.789 333 V HA 0.723 4.835 4.120 -0.014 0.000 0.311 333 V C -1.119 174.842 176.094 -0.222 0.000 1.073 333 V CA -1.262 60.804 62.300 -0.389 0.000 0.921 333 V CB 1.926 33.206 31.823 -0.906 0.000 1.009 333 V HN 0.112 nan 8.190 nan 0.000 0.426 334 A N 4.694 127.453 122.820 -0.102 0.000 2.402 334 A HA 0.885 5.197 4.320 -0.014 0.000 0.291 334 A C -1.155 176.434 177.584 0.009 0.000 1.051 334 A CA -0.414 51.602 52.037 -0.036 0.000 0.716 334 A CB 1.304 20.246 19.000 -0.096 0.000 1.223 334 A HN 1.286 nan 8.150 nan 0.000 0.425 335 I N 0.633 121.261 120.570 0.096 0.000 2.418 335 I HA 0.728 4.889 4.170 -0.014 0.000 0.287 335 I C -0.624 175.583 176.117 0.149 0.000 1.008 335 I CA -0.426 60.950 61.300 0.126 0.000 1.104 335 I CB 1.912 39.969 38.000 0.096 0.000 1.264 335 I HN 0.536 nan 8.210 nan 0.000 0.438 336 Q N 5.843 125.738 119.800 0.159 0.000 2.278 336 Q HA 0.530 4.862 4.340 -0.014 0.000 0.257 336 Q C -1.656 174.372 176.000 0.047 0.000 0.928 336 Q CA -0.427 55.511 55.803 0.225 0.000 0.932 336 Q CB 1.462 30.458 28.738 0.431 0.000 1.221 336 Q HN 0.764 nan 8.270 nan 0.000 0.434 337 L N 4.331 125.613 121.223 0.099 0.000 2.261 337 L HA 0.327 4.659 4.340 -0.014 0.000 0.289 337 L C -0.270 176.647 176.870 0.077 0.000 1.059 337 L CA -0.201 54.680 54.840 0.068 0.000 0.816 337 L CB 0.541 42.679 42.059 0.131 0.000 1.191 337 L HN 0.609 nan 8.230 nan 0.000 0.431 338 N N 3.980 122.632 118.700 -0.079 0.000 2.466 338 N HA 0.123 4.854 4.740 -0.014 0.000 0.263 338 N C -0.091 175.435 175.510 0.027 0.000 1.178 338 N CA 0.534 53.580 53.050 -0.007 0.000 0.983 338 N CB -0.189 38.179 38.487 -0.199 0.000 1.331 338 N HN 0.556 nan 8.380 nan 0.000 0.500 339 D N -0.418 120.117 120.400 0.224 0.000 4.199 339 D HA -0.221 4.410 4.640 -0.014 0.000 0.291 339 D C 0.437 176.802 176.300 0.108 0.000 2.213 339 D CA 1.549 55.659 54.000 0.183 0.000 1.174 339 D CB -0.617 40.023 40.800 -0.267 0.000 1.012 339 D HN 0.471 nan 8.370 nan 0.000 1.213 340 T N -2.535 111.991 114.554 -0.047 0.000 3.129 340 T HA 0.114 4.455 4.350 -0.014 0.000 0.251 340 T C 1.652 176.386 174.700 0.057 0.000 1.117 340 T CA 1.528 63.590 62.100 -0.063 0.000 1.034 340 T CB -0.510 68.298 68.868 -0.100 0.000 0.968 340 T HN 0.515 nan 8.240 nan 0.000 0.526 341 H N 2.659 121.801 119.070 0.120 0.000 2.353 341 H HA -0.013 4.535 4.556 -0.014 0.000 0.298 341 H C -0.857 174.550 175.328 0.132 0.000 1.103 341 H CA 1.139 57.277 56.048 0.151 0.000 1.293 341 H CB -0.921 28.933 29.762 0.155 0.000 1.372 341 H HN 0.443 nan 8.280 nan 0.000 0.501 342 P HA 0.068 nan 4.420 nan 0.000 0.259 342 P C 0.808 178.145 177.300 0.061 0.000 1.530 342 P CA 0.382 63.554 63.100 0.121 0.000 1.022 342 P CB 0.305 32.064 31.700 0.098 0.000 1.514 343 S N -0.227 115.501 115.700 0.047 0.000 2.419 343 S HA -0.132 4.330 4.470 -0.014 0.000 0.235 343 S C 1.750 176.352 174.600 0.002 0.000 1.019 343 S CA 0.799 58.987 58.200 -0.019 0.000 0.982 343 S CB -1.484 61.678 63.200 -0.063 0.000 0.789 343 S HN 0.145 nan 8.310 nan 0.000 0.490 344 L N 0.989 122.234 121.223 0.037 0.000 2.456 344 L HA 0.017 4.349 4.340 -0.014 0.000 0.224 344 L C 2.971 179.890 176.870 0.082 0.000 1.148 344 L CA 0.663 55.537 54.840 0.058 0.000 0.825 344 L CB -0.742 41.361 42.059 0.073 0.000 0.937 344 L HN 0.485 nan 8.230 nan 0.000 0.450 345 A N 0.514 123.356 122.820 0.036 0.000 1.978 345 A HA -0.213 4.099 4.320 -0.014 0.000 0.220 345 A C 2.168 179.748 177.584 -0.006 0.000 1.170 345 A CA 1.568 53.608 52.037 0.004 0.000 0.636 345 A CB -0.489 18.501 19.000 -0.017 0.000 0.810 345 A HN 0.365 nan 8.150 nan 0.000 0.448 346 I N 0.276 120.841 120.570 -0.007 0.000 2.113 346 I HA -0.148 4.014 4.170 -0.014 0.000 0.238 346 I C -0.368 175.753 176.117 0.006 0.000 1.070 346 I CA 1.637 62.926 61.300 -0.019 0.000 1.332 346 I CB -0.896 37.097 38.000 -0.013 0.000 1.044 346 I HN 0.243 nan 8.210 nan 0.000 0.402 347 P HA -0.174 nan 4.420 nan 0.000 0.221 347 P C 1.262 178.519 177.300 -0.073 0.000 1.150 347 P CA 1.481 64.585 63.100 0.005 0.000 0.800 347 P CB 0.022 31.747 31.700 0.042 0.000 0.787 348 E N 0.209 120.444 120.200 0.058 0.000 2.107 348 E HA -0.139 4.203 4.350 -0.014 0.000 0.191 348 E C 1.894 178.450 176.600 -0.073 0.000 0.982 348 E CA 0.592 57.040 56.400 0.081 0.000 0.809 348 E CB -1.167 28.685 29.700 0.254 0.000 0.756 348 E HN -0.019 nan 8.360 nan 0.000 0.459 349 L N 0.025 121.187 121.223 -0.102 0.000 2.131 349 L HA -0.053 4.278 4.340 -0.014 0.000 0.210 349 L C 1.975 178.689 176.870 -0.261 0.000 1.092 349 L CA 1.654 56.382 54.840 -0.188 0.000 0.759 349 L CB -0.478 41.479 42.059 -0.170 0.000 0.903 349 L HN 0.255 nan 8.230 nan 0.000 0.435 350 M N -0.971 118.487 119.600 -0.236 0.000 2.123 350 M HA -0.150 4.322 4.480 -0.014 0.000 0.263 350 M C 2.392 178.508 176.300 -0.306 0.000 1.069 350 M CA 1.362 56.471 55.300 -0.319 0.000 1.133 350 M CB -1.067 31.326 32.600 -0.345 0.000 1.356 350 M HN 0.298 nan 8.290 nan 0.000 0.415 351 R N 0.123 120.460 120.500 -0.271 0.000 2.094 351 R HA -0.159 4.173 4.340 -0.014 0.000 0.239 351 R C 2.070 178.252 176.300 -0.196 0.000 1.137 351 R CA 1.933 57.881 56.100 -0.254 0.000 0.943 351 R CB -0.313 29.779 30.300 -0.347 0.000 0.850 351 R HN 0.187 nan 8.270 nan 0.000 0.433 352 V N 1.452 121.249 119.914 -0.194 0.000 2.261 352 V HA -0.279 3.833 4.120 -0.014 0.000 0.246 352 V C 2.474 178.402 176.094 -0.276 0.000 1.047 352 V CA 1.948 64.132 62.300 -0.194 0.000 1.015 352 V CB -0.477 31.226 31.823 -0.200 0.000 0.642 352 V HN 0.358 nan 8.190 nan 0.000 0.446 353 L N -0.603 120.390 121.223 -0.385 0.000 2.012 353 L HA -0.177 4.154 4.340 -0.014 0.000 0.210 353 L C 2.425 179.107 176.870 -0.314 0.000 1.073 353 L CA 1.368 55.920 54.840 -0.481 0.000 0.748 353 L CB -0.657 41.080 42.059 -0.537 0.000 0.891 353 L HN 0.213 nan 8.230 nan 0.000 0.431 354 V N -0.528 119.238 119.914 -0.246 0.000 2.273 354 V HA -0.205 3.907 4.120 -0.014 0.000 0.242 354 V C 2.069 178.114 176.094 -0.081 0.000 1.035 354 V CA 1.762 63.978 62.300 -0.139 0.000 1.013 354 V CB -0.366 31.393 31.823 -0.108 0.000 0.652 354 V HN 0.369 nan 8.190 nan 0.000 0.452 355 D N 0.078 120.425 120.400 -0.087 0.000 2.097 355 D HA -0.061 4.570 4.640 -0.014 0.000 0.197 355 D C 2.097 178.368 176.300 -0.049 0.000 0.984 355 D CA 1.329 55.297 54.000 -0.053 0.000 0.826 355 D CB -0.101 40.664 40.800 -0.058 0.000 0.973 355 D HN 0.312 nan 8.370 nan 0.000 0.460 356 L N 0.411 121.591 121.223 -0.073 0.000 2.130 356 L HA 0.057 4.389 4.340 -0.014 0.000 0.200 356 L C 2.024 178.862 176.870 -0.053 0.000 1.075 356 L CA 0.658 55.466 54.840 -0.053 0.000 0.768 356 L CB -0.255 41.773 42.059 -0.052 0.000 0.933 356 L HN -0.136 nan 8.230 nan 0.000 0.451 357 E N 0.702 120.836 120.200 -0.110 0.000 2.435 357 E HA -0.015 4.327 4.350 -0.014 0.000 0.195 357 E C 0.112 176.679 176.600 -0.055 0.000 1.029 357 E CA 0.013 56.359 56.400 -0.091 0.000 0.865 357 E CB 0.165 29.710 29.700 -0.258 0.000 0.833 357 E HN 0.279 nan 8.360 nan 0.000 0.510 358 R N -0.040 120.421 120.500 -0.065 0.000 3.418 358 R HA -0.186 4.146 4.340 -0.014 0.000 0.274 358 R C -0.511 175.776 176.300 -0.021 0.000 1.108 358 R CA 0.230 56.314 56.100 -0.027 0.000 0.741 358 R CB -2.487 27.816 30.300 0.005 0.000 1.223 358 R HN 0.048 nan 8.270 nan 0.000 0.434 359 L N 1.741 122.924 121.223 -0.066 0.000 2.421 359 L HA 0.207 4.539 4.340 -0.014 0.000 0.263 359 L C 1.255 178.120 176.870 -0.009 0.000 1.122 359 L CA 0.032 54.844 54.840 -0.046 0.000 0.804 359 L CB 0.559 42.545 42.059 -0.121 0.000 1.150 359 L HN 0.138 nan 8.230 nan 0.000 0.457 360 D N 0.476 120.896 120.400 0.032 0.000 2.357 360 D HA -0.126 4.505 4.640 -0.014 0.000 0.242 360 D C 0.947 177.314 176.300 0.112 0.000 1.153 360 D CA -0.506 53.547 54.000 0.088 0.000 0.918 360 D CB 0.724 41.582 40.800 0.096 0.000 1.181 360 D HN 0.596 nan 8.370 nan 0.000 0.435 361 W N 2.018 123.321 121.300 0.005 0.000 2.298 361 W HA -0.252 4.400 4.660 -0.014 0.000 0.328 361 W C 1.267 177.829 176.519 0.071 0.000 1.259 361 W CA 2.031 59.385 57.345 0.014 0.000 1.251 361 W CB -0.343 29.105 29.460 -0.019 0.000 1.161 361 W HN 0.500 nan 8.180 nan 0.000 0.466 362 D N 0.117 120.719 120.400 0.337 0.000 2.133 362 D HA -0.220 4.411 4.640 -0.014 0.000 0.195 362 D C 2.050 178.449 176.300 0.164 0.000 0.997 362 D CA 1.481 55.646 54.000 0.274 0.000 0.840 362 D CB -0.455 40.483 40.800 0.231 0.000 0.947 362 D HN 0.106 nan 8.370 nan 0.000 0.452 363 K N 0.963 121.420 120.400 0.096 0.000 2.057 363 K HA -0.042 4.270 4.320 -0.014 0.000 0.206 363 K C 2.013 178.605 176.600 -0.013 0.000 1.050 363 K CA 0.920 57.238 56.287 0.051 0.000 0.935 363 K CB -0.277 32.250 32.500 0.045 0.000 0.715 363 K HN 0.033 nan 8.250 nan 0.000 0.439 364 A N 0.811 123.581 122.820 -0.084 0.000 1.877 364 A HA -0.193 4.119 4.320 -0.014 0.000 0.216 364 A C 2.142 179.629 177.584 -0.162 0.000 1.186 364 A CA 1.317 53.232 52.037 -0.202 0.000 0.620 364 A CB -1.065 17.741 19.000 -0.323 0.000 0.822 364 A HN 0.642 nan 8.150 nan 0.000 0.443 365 W N 0.688 121.777 121.300 -0.352 0.000 2.358 365 W HA -0.172 4.479 4.660 -0.014 0.000 0.303 365 W C 2.021 178.479 176.519 -0.102 0.000 1.208 365 W CA 1.865 59.056 57.345 -0.257 0.000 1.274 365 W CB -0.125 29.230 29.460 -0.176 0.000 1.138 365 W HN 0.604 nan 8.180 nan 0.000 0.515 366 E N 0.109 120.310 120.200 0.001 0.000 2.085 366 E HA -0.229 4.113 4.350 -0.014 0.000 0.194 366 E C 2.021 178.545 176.600 -0.127 0.000 0.994 366 E CA 1.940 58.302 56.400 -0.064 0.000 0.801 366 E CB -0.285 29.434 29.700 0.032 0.000 0.743 366 E HN 0.083 nan 8.360 nan 0.000 0.453 367 V N 0.651 120.504 119.914 -0.102 0.000 2.261 367 V HA -0.256 3.856 4.120 -0.014 0.000 0.246 367 V C 2.441 178.465 176.094 -0.116 0.000 1.047 367 V CA 2.186 64.442 62.300 -0.073 0.000 1.015 367 V CB -0.848 30.927 31.823 -0.081 0.000 0.642 367 V HN 0.365 nan 8.190 nan 0.000 0.446 368 T N 0.179 114.594 114.554 -0.231 0.000 2.635 368 T HA -0.211 4.131 4.350 -0.014 0.000 0.267 368 T C 1.934 176.449 174.700 -0.309 0.000 1.040 368 T CA 1.939 63.874 62.100 -0.275 0.000 1.156 368 T CB -0.343 68.299 68.868 -0.376 0.000 0.863 368 T HN 0.266 nan 8.240 nan 0.000 0.430 369 V N 1.120 120.725 119.914 -0.514 0.000 2.343 369 V HA -0.162 3.950 4.120 -0.014 0.000 0.247 369 V C 2.391 178.423 176.094 -0.104 0.000 1.051 369 V CA 1.627 63.681 62.300 -0.410 0.000 1.036 369 V CB -0.475 31.027 31.823 -0.536 0.000 0.654 369 V HN 0.430 nan 8.190 nan 0.000 0.451 370 K N -0.291 120.037 120.400 -0.120 0.000 2.283 370 K HA -0.118 4.194 4.320 -0.014 0.000 0.202 370 K C 2.150 178.714 176.600 -0.060 0.000 1.048 370 K CA 1.576 57.791 56.287 -0.119 0.000 0.948 370 K CB -0.129 32.302 32.500 -0.115 0.000 0.742 370 K HN 0.661 nan 8.250 nan 0.000 0.458 371 T N -2.176 112.402 114.554 0.039 0.000 3.015 371 T HA 0.096 4.438 4.350 -0.014 0.000 0.250 371 T C 0.635 175.435 174.700 0.168 0.000 1.057 371 T CA -0.322 61.832 62.100 0.090 0.000 1.066 371 T CB -0.006 68.917 68.868 0.091 0.000 0.959 371 T HN 0.003 nan 8.240 nan 0.000 0.488 372 C N 2.693 122.078 119.300 0.141 0.000 2.401 372 C HA 0.907 5.358 4.460 -0.014 0.000 0.365 372 C C 0.580 175.619 174.990 0.081 0.000 1.250 372 C CA -0.740 58.337 59.018 0.098 0.000 2.131 372 C CB 0.074 27.808 27.740 -0.010 0.000 2.445 372 C HN 0.750 nan 8.230 nan 0.000 0.550 373 A N 2.581 125.445 122.820 0.073 0.000 2.455 373 A HA 0.709 5.021 4.320 -0.014 0.000 0.300 373 A C -1.475 176.181 177.584 0.122 0.000 1.040 373 A CA -0.401 51.630 52.037 -0.009 0.000 0.697 373 A CB 0.915 19.940 19.000 0.042 0.000 1.265 373 A HN 0.925 nan 8.150 nan 0.000 0.407 374 Y N 1.446 121.693 120.300 -0.089 0.000 2.364 374 Y HA 0.652 5.193 4.550 -0.014 0.000 0.340 374 Y C -0.424 175.458 175.900 -0.030 0.000 0.975 374 Y CA -0.331 57.731 58.100 -0.063 0.000 1.089 374 Y CB 1.966 40.343 38.460 -0.139 0.000 1.192 374 Y HN 0.567 nan 8.280 nan 0.000 0.454 375 T N 6.510 120.891 114.554 -0.288 0.000 2.779 375 T HA 0.186 4.527 4.350 -0.014 0.000 0.280 375 T C -0.840 173.420 174.700 -0.733 0.000 0.987 375 T CA -0.829 61.019 62.100 -0.419 0.000 0.966 375 T CB 0.530 69.393 68.868 -0.009 0.000 0.933 375 T HN 0.638 nan 8.240 nan 0.000 0.442 376 N N 1.609 119.857 118.700 -0.753 0.000 2.473 376 N HA 0.152 4.884 4.740 -0.014 0.000 0.291 376 N C -0.041 175.324 175.510 -0.241 0.000 1.083 376 N CA -0.319 52.515 53.050 -0.360 0.000 0.951 376 N CB 0.799 39.235 38.487 -0.085 0.000 1.164 376 N HN 0.680 nan 8.380 nan 0.000 0.480 377 H N 0.794 119.899 119.070 0.058 0.000 3.058 377 H HA 0.178 4.726 4.556 -0.014 0.000 0.266 377 H C -0.244 175.004 175.328 -0.132 0.000 1.135 377 H CA -0.068 55.956 56.048 -0.041 0.000 1.174 377 H CB 1.146 30.896 29.762 -0.021 0.000 1.581 377 H HN 0.534 nan 8.280 nan 0.000 0.553 378 T N 0.138 114.718 114.554 0.044 0.000 2.827 378 T HA 0.240 4.582 4.350 -0.014 0.000 0.328 378 T C 0.215 174.944 174.700 0.048 0.000 1.598 378 T CA -0.257 61.822 62.100 -0.036 0.000 1.043 378 T CB 1.225 70.071 68.868 -0.037 0.000 1.447 378 T HN -0.053 nan 8.240 nan 0.000 0.491 379 V N 1.109 121.009 119.914 -0.023 0.000 3.502 379 V HA 0.505 4.617 4.120 -0.014 0.000 0.288 379 V C 0.878 176.935 176.094 -0.062 0.000 1.461 379 V CA -0.073 62.207 62.300 -0.033 0.000 1.029 379 V CB -0.586 31.222 31.823 -0.025 0.000 0.843 379 V HN 0.802 nan 8.190 nan 0.000 0.438 380 I N 0.012 120.534 120.570 -0.080 0.000 2.556 380 I HA 0.312 4.473 4.170 -0.014 0.000 0.284 380 I C -0.733 175.372 176.117 -0.018 0.000 1.114 380 I CA -1.671 59.602 61.300 -0.045 0.000 1.418 380 I CB 0.564 38.527 38.000 -0.061 0.000 1.394 380 I HN -0.044 nan 8.210 nan 0.000 0.552 381 P HA -0.244 nan 4.420 nan 0.000 0.215 381 P C 1.140 178.427 177.300 -0.021 0.000 1.153 381 P CA 1.594 64.685 63.100 -0.015 0.000 0.853 381 P CB -0.115 31.582 31.700 -0.005 0.000 0.788 382 E N 0.344 120.552 120.200 0.014 0.000 2.472 382 E HA -0.079 4.263 4.350 -0.014 0.000 0.200 382 E C 1.572 178.112 176.600 -0.100 0.000 1.046 382 E CA 1.199 57.581 56.400 -0.030 0.000 0.871 382 E CB -0.692 29.082 29.700 0.124 0.000 0.806 382 E HN 0.226 nan 8.360 nan 0.000 0.533 383 A N 0.978 123.788 122.820 -0.016 0.000 2.169 383 A HA 0.199 4.511 4.320 -0.014 0.000 0.210 383 A C 1.156 178.717 177.584 -0.038 0.000 1.168 383 A CA -0.329 51.716 52.037 0.015 0.000 0.813 383 A CB 0.150 19.184 19.000 0.056 0.000 0.861 383 A HN 0.146 nan 8.150 nan 0.000 0.481 384 L N 1.854 123.016 121.223 -0.100 0.000 2.455 384 L HA 0.122 4.453 4.340 -0.014 0.000 0.272 384 L C -0.017 176.536 176.870 -0.529 0.000 1.174 384 L CA 0.542 55.266 54.840 -0.194 0.000 0.869 384 L CB 0.251 42.230 42.059 -0.133 0.000 1.130 384 L HN 0.406 nan 8.230 nan 0.000 0.474 385 E N 4.899 124.680 120.200 -0.697 0.000 2.180 385 E HA 0.192 4.533 4.350 -0.014 0.000 0.283 385 E C -0.469 175.510 176.600 -1.035 0.000 1.061 385 E CA -0.193 55.334 56.400 -1.455 0.000 0.861 385 E CB 0.664 29.835 29.700 -0.882 0.000 1.056 385 E HN 0.364 nan 8.360 nan 0.000 0.407 386 R N 3.884 123.692 120.500 -1.153 0.000 2.472 386 R HA 0.195 4.527 4.340 -0.014 0.000 0.294 386 R C -1.239 174.928 176.300 -0.222 0.000 1.243 386 R CA -0.568 55.272 56.100 -0.434 0.000 1.023 386 R CB 0.820 30.989 30.300 -0.217 0.000 1.157 386 R HN 0.432 nan 8.270 nan 0.000 0.530 387 W N 4.495 125.761 121.300 -0.057 0.000 2.311 387 W HA 0.256 4.907 4.660 -0.014 0.000 0.310 387 W C -1.891 174.607 176.519 -0.035 0.000 1.274 387 W CA -2.144 55.221 57.345 0.033 0.000 1.215 387 W CB 0.692 30.145 29.460 -0.012 0.000 1.227 387 W HN 0.246 nan 8.180 nan 0.000 0.523 388 P HA -0.095 nan 4.420 nan 0.000 0.264 388 P C 0.796 178.038 177.300 -0.097 0.000 1.193 388 P CA 0.221 63.316 63.100 -0.008 0.000 0.763 388 P CB 0.759 32.332 31.700 -0.211 0.000 0.810 389 V N 3.428 123.340 119.914 -0.004 0.000 2.332 389 V HA -0.291 3.821 4.120 -0.014 0.000 0.248 389 V C 2.145 178.234 176.094 -0.009 0.000 1.055 389 V CA 2.547 64.853 62.300 0.010 0.000 1.038 389 V CB -1.770 30.120 31.823 0.113 0.000 0.651 389 V HN 0.765 nan 8.190 nan 0.000 0.450 390 H N -0.993 118.128 119.070 0.085 0.000 2.457 390 H HA -0.136 4.412 4.556 -0.014 0.000 0.297 390 H C 2.032 177.399 175.328 0.066 0.000 1.092 390 H CA 1.784 57.877 56.048 0.074 0.000 1.309 390 H CB -0.542 29.266 29.762 0.077 0.000 1.382 390 H HN 0.375 nan 8.280 nan 0.000 0.535 391 L N -0.111 120.921 121.223 -0.319 0.000 2.023 391 L HA -0.063 4.269 4.340 -0.014 0.000 0.205 391 L C 2.437 179.235 176.870 -0.120 0.000 1.073 391 L CA 0.888 55.640 54.840 -0.147 0.000 0.745 391 L CB -0.230 41.730 42.059 -0.166 0.000 0.900 391 L HN 0.317 nan 8.230 nan 0.000 0.435 392 L N -0.444 120.685 121.223 -0.158 0.000 2.083 392 L HA -0.263 4.069 4.340 -0.014 0.000 0.209 392 L C 2.537 179.323 176.870 -0.140 0.000 1.083 392 L CA 1.265 55.987 54.840 -0.197 0.000 0.752 392 L CB -0.422 41.516 42.059 -0.202 0.000 0.899 392 L HN 0.357 nan 8.230 nan 0.000 0.433 393 E N -0.517 119.644 120.200 -0.065 0.000 2.058 393 E HA -0.235 4.107 4.350 -0.014 0.000 0.194 393 E C 1.945 178.564 176.600 0.032 0.000 0.997 393 E CA 1.985 58.382 56.400 -0.004 0.000 0.801 393 E CB 0.114 29.853 29.700 0.066 0.000 0.746 393 E HN 0.417 nan 8.360 nan 0.000 0.450 394 T N 0.742 115.336 114.554 0.067 0.000 2.809 394 T HA -0.085 4.257 4.350 -0.014 0.000 0.260 394 T C 1.721 176.510 174.700 0.149 0.000 1.039 394 T CA 0.775 62.964 62.100 0.148 0.000 1.141 394 T CB -0.129 68.860 68.868 0.202 0.000 0.869 394 T HN 0.062 nan 8.240 nan 0.000 0.437 395 L N 0.099 121.308 121.223 -0.022 0.000 2.095 395 L HA 0.327 4.658 4.340 -0.014 0.000 0.204 395 L C 0.352 177.121 176.870 -0.168 0.000 1.080 395 L CA 1.603 56.303 54.840 -0.233 0.000 0.759 395 L CB 0.008 41.895 42.059 -0.286 0.000 0.914 395 L HN 0.175 nan 8.230 nan 0.000 0.439 396 L N 0.642 121.724 121.223 -0.235 0.000 2.594 396 L HA 0.295 4.626 4.340 -0.014 0.000 0.245 396 L C -1.659 174.998 176.870 -0.354 0.000 1.460 396 L CA -1.056 53.543 54.840 -0.402 0.000 0.865 396 L CB 0.885 42.517 42.059 -0.710 0.000 1.131 396 L HN -0.063 nan 8.230 nan 0.000 0.506 397 P HA -0.230 nan 4.420 nan 0.000 0.216 397 P C 1.497 178.605 177.300 -0.321 0.000 1.153 397 P CA 1.343 64.314 63.100 -0.215 0.000 0.858 397 P CB 0.358 32.007 31.700 -0.084 0.000 0.789 398 R N -0.616 119.523 120.500 -0.601 0.000 2.092 398 R HA -0.139 4.193 4.340 -0.014 0.000 0.231 398 R C 2.357 178.384 176.300 -0.454 0.000 1.119 398 R CA 1.456 57.229 56.100 -0.546 0.000 0.970 398 R CB -1.272 28.560 30.300 -0.780 0.000 0.864 398 R HN 0.214 nan 8.270 nan 0.000 0.440 399 H N -0.227 118.518 119.070 -0.541 0.000 2.387 399 H HA -0.061 4.487 4.556 -0.014 0.000 0.299 399 H C 1.746 176.895 175.328 -0.299 0.000 1.090 399 H CA 1.626 57.442 56.048 -0.387 0.000 1.332 399 H CB -0.057 29.434 29.762 -0.451 0.000 1.386 399 H HN 0.110 nan 8.280 nan 0.000 0.516 400 L N 0.408 121.501 121.223 -0.217 0.000 2.046 400 L HA -0.229 4.103 4.340 -0.014 0.000 0.208 400 L C 1.802 178.477 176.870 -0.325 0.000 1.077 400 L CA 1.593 56.237 54.840 -0.327 0.000 0.747 400 L CB -0.285 41.593 42.059 -0.302 0.000 0.896 400 L HN 0.428 nan 8.230 nan 0.000 0.432 401 Q N -0.386 119.331 119.800 -0.138 0.000 2.124 401 Q HA -0.217 4.115 4.340 -0.014 0.000 0.202 401 Q C 2.169 178.187 176.000 0.029 0.000 0.977 401 Q CA 1.492 57.305 55.803 0.016 0.000 0.850 401 Q CB -0.005 28.748 28.738 0.024 0.000 0.901 401 Q HN 0.553 nan 8.270 nan 0.000 0.429 402 I N 0.250 120.814 120.570 -0.011 0.000 2.286 402 I HA -0.258 3.904 4.170 -0.014 0.000 0.245 402 I C 2.090 178.278 176.117 0.119 0.000 1.104 402 I CA 0.953 62.327 61.300 0.123 0.000 1.397 402 I CB -0.071 37.941 38.000 0.022 0.000 1.072 402 I HN 0.192 nan 8.210 nan 0.000 0.417 403 I N -0.450 120.112 120.570 -0.013 0.000 2.226 403 I HA -0.325 3.837 4.170 -0.014 0.000 0.245 403 I C 2.394 178.538 176.117 0.045 0.000 1.100 403 I CA 1.445 62.732 61.300 -0.022 0.000 1.374 403 I CB -0.410 37.507 38.000 -0.138 0.000 1.057 403 I HN 0.168 nan 8.210 nan 0.000 0.413 404 Y N 0.933 121.236 120.300 0.005 0.000 2.224 404 Y HA -0.275 4.266 4.550 -0.014 0.000 0.289 404 Y C 2.597 178.462 175.900 -0.059 0.000 1.146 404 Y CA 1.621 59.711 58.100 -0.016 0.000 1.182 404 Y CB -0.752 37.691 38.460 -0.029 0.000 0.983 404 Y HN 0.241 nan 8.280 nan 0.000 0.524 405 E N 0.297 120.538 120.200 0.068 0.000 2.107 405 E HA -0.123 4.218 4.350 -0.014 0.000 0.191 405 E C 2.015 178.526 176.600 -0.149 0.000 0.982 405 E CA 1.159 57.458 56.400 -0.168 0.000 0.809 405 E CB -0.549 28.895 29.700 -0.426 0.000 0.756 405 E HN 0.480 nan 8.360 nan 0.000 0.459 406 I N 0.617 121.199 120.570 0.021 0.000 2.252 406 I HA -0.237 3.925 4.170 -0.014 0.000 0.245 406 I C 2.233 178.350 176.117 0.000 0.000 1.102 406 I CA 1.224 62.494 61.300 -0.051 0.000 1.385 406 I CB -0.325 37.655 38.000 -0.033 0.000 1.064 406 I HN 0.211 nan 8.210 nan 0.000 0.414 407 N N 0.728 119.482 118.700 0.090 0.000 2.084 407 N HA -0.255 4.476 4.740 -0.014 0.000 0.190 407 N C 1.863 177.458 175.510 0.142 0.000 1.030 407 N CA 1.588 54.746 53.050 0.180 0.000 0.849 407 N CB -0.106 38.506 38.487 0.208 0.000 1.012 407 N HN 0.250 nan 8.380 nan 0.000 0.423 408 Q N -0.136 119.690 119.800 0.045 0.000 2.045 408 Q HA -0.160 4.172 4.340 -0.014 0.000 0.206 408 Q C 2.082 178.063 176.000 -0.032 0.000 0.991 408 Q CA 1.831 57.621 55.803 -0.022 0.000 0.851 408 Q CB -0.019 28.660 28.738 -0.097 0.000 0.911 408 Q HN 0.414 nan 8.270 nan 0.000 0.418 409 R N -0.797 119.662 120.500 -0.069 0.000 2.092 409 R HA -0.136 4.196 4.340 -0.014 0.000 0.231 409 R C 2.184 178.512 176.300 0.046 0.000 1.119 409 R CA 1.192 57.253 56.100 -0.064 0.000 0.970 409 R CB -0.437 29.773 30.300 -0.152 0.000 0.864 409 R HN 0.271 nan 8.270 nan 0.000 0.440 410 F N 1.876 121.800 119.950 -0.043 0.000 2.084 410 F HA -0.097 4.421 4.527 -0.014 0.000 0.296 410 F C 1.982 177.808 175.800 0.042 0.000 1.111 410 F CA 1.269 59.293 58.000 0.039 0.000 1.224 410 F CB -0.384 38.672 39.000 0.092 0.000 0.991 410 F HN -0.140 nan 8.300 nan 0.000 0.471 411 L N 0.207 121.408 121.223 -0.037 0.000 2.127 411 L HA -0.286 4.045 4.340 -0.014 0.000 0.211 411 L C 2.021 178.803 176.870 -0.146 0.000 1.089 411 L CA 1.847 56.598 54.840 -0.149 0.000 0.757 411 L CB -0.943 41.110 42.059 -0.010 0.000 0.899 411 L HN 0.294 nan 8.230 nan 0.000 0.434 412 N N -0.476 118.170 118.700 -0.091 0.000 2.244 412 N HA -0.173 4.558 4.740 -0.014 0.000 0.183 412 N C 1.939 177.394 175.510 -0.092 0.000 1.016 412 N CA 0.618 53.621 53.050 -0.077 0.000 0.866 412 N CB 0.025 38.476 38.487 -0.059 0.000 0.980 412 N HN 0.243 nan 8.380 nan 0.000 0.430 413 R N 0.486 120.913 120.500 -0.121 0.000 2.075 413 R HA -0.027 4.304 4.340 -0.014 0.000 0.232 413 R C 2.097 178.302 176.300 -0.159 0.000 1.126 413 R CA 0.748 56.779 56.100 -0.114 0.000 0.963 413 R CB -0.133 30.119 30.300 -0.080 0.000 0.858 413 R HN 0.031 nan 8.270 nan 0.000 0.435 414 V N 0.735 120.499 119.914 -0.250 0.000 2.261 414 V HA -0.264 3.848 4.120 -0.014 0.000 0.246 414 V C 2.377 178.470 176.094 -0.002 0.000 1.047 414 V CA 2.026 64.251 62.300 -0.124 0.000 1.015 414 V CB -0.843 30.832 31.823 -0.245 0.000 0.642 414 V HN 0.465 nan 8.190 nan 0.000 0.446 415 A N 0.160 122.950 122.820 -0.049 0.000 1.917 415 A HA -0.235 4.077 4.320 -0.014 0.000 0.219 415 A C 2.391 179.952 177.584 -0.038 0.000 1.182 415 A CA 2.537 54.562 52.037 -0.021 0.000 0.633 415 A CB -0.912 18.065 19.000 -0.039 0.000 0.819 415 A HN 0.642 nan 8.150 nan 0.000 0.448 416 A N -0.837 121.940 122.820 -0.072 0.000 2.015 416 A HA 0.249 4.561 4.320 -0.014 0.000 0.219 416 A C 2.352 179.844 177.584 -0.154 0.000 1.163 416 A CA 1.908 53.891 52.037 -0.090 0.000 0.646 416 A CB -0.652 18.300 19.000 -0.080 0.000 0.806 416 A HN 1.044 nan 8.150 nan 0.000 0.448 417 A N -1.554 121.122 122.820 -0.239 0.000 1.984 417 A HA 0.416 4.727 4.320 -0.014 0.000 0.214 417 A C 0.435 177.565 177.584 -0.757 0.000 1.173 417 A CA 0.414 52.127 52.037 -0.539 0.000 0.673 417 A CB -0.063 18.501 19.000 -0.727 0.000 0.830 417 A HN 0.417 nan 8.150 nan 0.000 0.453 418 F N 0.268 120.170 119.950 -0.079 0.000 2.531 418 F HA 0.354 4.873 4.527 -0.014 0.000 0.333 418 F C -2.773 172.990 175.800 -0.063 0.000 1.292 418 F CA -2.883 55.075 58.000 -0.070 0.000 1.184 418 F CB 0.712 39.662 39.000 -0.083 0.000 1.426 418 F HN -0.071 nan 8.300 nan 0.000 0.559 419 P HA 0.156 nan 4.420 nan 0.000 0.262 419 P C 1.031 178.350 177.300 0.033 0.000 1.199 419 P CA 1.139 64.251 63.100 0.021 0.000 0.763 419 P CB 0.755 32.449 31.700 -0.009 0.000 0.790 420 G N 3.010 111.823 108.800 0.021 0.000 2.253 420 G HA2 -0.245 3.707 3.960 -0.014 0.000 0.251 420 G HA3 -0.245 3.707 3.960 -0.014 0.000 0.251 420 G C 0.423 175.331 174.900 0.013 0.000 0.998 420 G CA -0.063 45.045 45.100 0.013 0.000 0.621 420 G HN 0.567 nan 8.290 nan 0.000 0.524 421 D N 1.229 121.647 120.400 0.030 0.000 2.600 421 D HA 0.353 4.984 4.640 -0.014 0.000 0.226 421 D C 1.655 177.942 176.300 -0.023 0.000 1.119 421 D CA 0.516 54.516 54.000 -0.001 0.000 1.051 421 D CB 0.503 41.296 40.800 -0.010 0.000 1.106 421 D HN 0.161 nan 8.370 nan 0.000 0.491 422 V N 2.515 122.419 119.914 -0.018 0.000 2.490 422 V HA -0.217 3.895 4.120 -0.014 0.000 0.250 422 V C 1.701 177.780 176.094 -0.026 0.000 1.061 422 V CA 1.910 64.199 62.300 -0.019 0.000 1.064 422 V CB 0.021 31.836 31.823 -0.012 0.000 0.670 422 V HN 0.357 nan 8.190 nan 0.000 0.461 423 D N -0.495 119.885 120.400 -0.033 0.000 2.194 423 D HA -0.163 4.468 4.640 -0.014 0.000 0.204 423 D C 2.306 178.574 176.300 -0.053 0.000 0.964 423 D CA 1.091 55.072 54.000 -0.032 0.000 0.846 423 D CB -0.179 40.603 40.800 -0.031 0.000 0.962 423 D HN 0.412 nan 8.370 nan 0.000 0.490 424 R N -0.344 120.100 120.500 -0.094 0.000 2.096 424 R HA -0.125 4.207 4.340 -0.014 0.000 0.235 424 R C 1.865 178.092 176.300 -0.123 0.000 1.127 424 R CA 0.858 56.863 56.100 -0.158 0.000 0.968 424 R CB -0.289 29.853 30.300 -0.264 0.000 0.861 424 R HN 0.150 nan 8.270 nan 0.000 0.440 425 L N 1.435 122.610 121.223 -0.080 0.000 1.989 425 L HA -0.200 4.131 4.340 -0.014 0.000 0.211 425 L C 2.570 179.439 176.870 -0.001 0.000 1.071 425 L CA 2.223 57.034 54.840 -0.049 0.000 0.749 425 L CB -0.763 41.278 42.059 -0.030 0.000 0.890 425 L HN 0.313 nan 8.230 nan 0.000 0.431 426 R N -1.241 119.267 120.500 0.013 0.000 2.148 426 R HA -0.070 4.262 4.340 -0.014 0.000 0.227 426 R C 2.187 178.540 176.300 0.089 0.000 1.103 426 R CA 1.038 57.169 56.100 0.052 0.000 0.983 426 R CB -0.587 29.736 30.300 0.039 0.000 0.874 426 R HN 0.183 nan 8.270 nan 0.000 0.451 427 R N 0.200 120.734 120.500 0.057 0.000 2.090 427 R HA 0.112 4.444 4.340 -0.014 0.000 0.228 427 R C 2.030 178.433 176.300 0.171 0.000 1.110 427 R CA 1.752 57.912 56.100 0.100 0.000 0.973 427 R CB -0.146 30.169 30.300 0.024 0.000 0.869 427 R HN 0.318 nan 8.270 nan 0.000 0.440 428 M N 0.152 119.773 119.600 0.036 0.000 2.541 428 M HA 0.024 4.495 4.480 -0.014 0.000 0.252 428 M C 0.848 177.335 176.300 0.313 0.000 1.125 428 M CA 0.044 55.329 55.300 -0.024 0.000 1.091 428 M CB 0.397 32.812 32.600 -0.310 0.000 1.420 428 M HN -0.076 nan 8.290 nan 0.000 0.486 429 S N 0.998 116.882 115.700 0.306 0.000 2.558 429 S HA 0.020 4.481 4.470 -0.014 0.000 0.291 429 S C 1.124 176.013 174.600 0.482 0.000 1.306 429 S CA -0.172 58.235 58.200 0.345 0.000 1.056 429 S CB 0.530 63.864 63.200 0.224 0.000 0.836 429 S HN 0.366 nan 8.310 nan 0.000 0.504 430 L N 4.011 125.464 121.223 0.383 0.000 2.395 430 L HA 0.121 4.453 4.340 -0.014 0.000 0.218 430 L C 0.199 177.186 176.870 0.194 0.000 1.130 430 L CA 0.281 55.299 54.840 0.297 0.000 0.826 430 L CB -0.379 41.795 42.059 0.193 0.000 0.941 430 L HN 0.394 nan 8.230 nan 0.000 0.451 431 V N 0.530 120.572 119.914 0.213 0.000 2.398 431 V HA 0.211 4.323 4.120 -0.014 0.000 0.286 431 V C -0.034 176.150 176.094 0.149 0.000 1.026 431 V CA -0.625 61.783 62.300 0.181 0.000 0.868 431 V CB 1.716 33.682 31.823 0.239 0.000 0.982 431 V HN 0.153 nan 8.190 nan 0.000 0.443 432 E N 3.065 123.331 120.200 0.111 0.000 2.133 432 E HA 0.415 4.756 4.350 -0.014 0.000 0.274 432 E C -0.722 175.929 176.600 0.085 0.000 0.930 432 E CA -0.562 55.891 56.400 0.089 0.000 0.770 432 E CB 1.944 31.676 29.700 0.055 0.000 1.104 432 E HN 0.617 nan 8.360 nan 0.000 0.403 433 E N 1.043 121.290 120.200 0.077 0.000 2.342 433 E HA 0.628 4.970 4.350 -0.014 0.000 0.257 433 E C 0.237 176.872 176.600 0.058 0.000 1.150 433 E CA 0.426 56.866 56.400 0.067 0.000 0.926 433 E CB 1.359 31.092 29.700 0.055 0.000 1.074 433 E HN 0.651 nan 8.360 nan 0.000 0.449 434 G N -0.321 108.511 108.800 0.054 0.000 2.302 434 G HA2 0.235 4.187 3.960 -0.014 0.000 0.264 434 G HA3 0.235 4.187 3.960 -0.014 0.000 0.264 434 G C 0.531 175.461 174.900 0.050 0.000 1.335 434 G CA 0.304 45.432 45.100 0.047 0.000 0.982 434 G HN 0.650 nan 8.290 nan 0.000 0.473 435 A N -0.898 121.949 122.820 0.046 0.000 1.883 435 A HA 0.218 4.530 4.320 -0.014 0.000 0.222 435 A C 1.852 179.473 177.584 0.062 0.000 1.339 435 A CA 4.698 56.763 52.037 0.047 0.000 0.692 435 A CB -1.260 17.767 19.000 0.045 0.000 0.845 435 A HN 2.458 nan 8.150 nan 0.000 0.467 436 V N -2.979 116.984 119.914 0.082 0.000 2.735 436 V HA 0.585 4.697 4.120 -0.014 0.000 0.310 436 V C -0.595 175.569 176.094 0.116 0.000 1.061 436 V CA -1.365 61.006 62.300 0.118 0.000 0.913 436 V CB 1.767 33.693 31.823 0.171 0.000 1.005 436 V HN 0.410 nan 8.190 nan 0.000 0.428 437 K N 4.010 124.488 120.400 0.131 0.000 2.326 437 K HA 0.519 4.830 4.320 -0.014 0.000 0.275 437 K C -0.434 176.238 176.600 0.119 0.000 1.018 437 K CA -0.278 56.083 56.287 0.123 0.000 0.962 437 K CB 0.982 33.568 32.500 0.144 0.000 0.953 437 K HN 0.731 nan 8.250 nan 0.000 0.475 438 R N 1.076 121.635 120.500 0.098 0.000 2.855 438 R HA 0.513 4.845 4.340 -0.014 0.000 0.266 438 R C -0.687 175.655 176.300 0.069 0.000 1.034 438 R CA -1.018 55.130 56.100 0.080 0.000 0.944 438 R CB 1.315 31.646 30.300 0.050 0.000 1.219 438 R HN 0.382 nan 8.270 nan 0.000 0.474 439 I N 1.742 122.347 120.570 0.058 0.000 2.406 439 I HA 0.177 4.339 4.170 -0.014 0.000 0.290 439 I C -0.401 175.703 176.117 -0.021 0.000 0.999 439 I CA -0.746 60.575 61.300 0.035 0.000 1.124 439 I CB 1.475 39.492 38.000 0.029 0.000 1.289 439 I HN 0.508 nan 8.210 nan 0.000 0.441 440 N N 7.090 125.746 118.700 -0.072 0.000 2.555 440 N HA 0.074 4.806 4.740 -0.014 0.000 0.244 440 N C 0.974 176.384 175.510 -0.168 0.000 1.114 440 N CA -0.367 52.561 53.050 -0.204 0.000 0.963 440 N CB 0.779 39.005 38.487 -0.436 0.000 1.276 440 N HN 0.377 nan 8.380 nan 0.000 0.510 441 M N 2.075 121.586 119.600 -0.147 0.000 2.143 441 M HA -0.176 4.296 4.480 -0.014 0.000 0.258 441 M C 2.025 178.184 176.300 -0.236 0.000 1.071 441 M CA 1.164 56.385 55.300 -0.131 0.000 1.088 441 M CB -1.733 30.820 32.600 -0.078 0.000 1.360 441 M HN 0.581 nan 8.290 nan 0.000 0.404 442 A N -0.796 121.878 122.820 -0.243 0.000 1.908 442 A HA -0.197 4.114 4.320 -0.014 0.000 0.218 442 A C 2.035 179.406 177.584 -0.355 0.000 1.181 442 A CA 1.746 53.604 52.037 -0.299 0.000 0.627 442 A CB -1.192 17.812 19.000 0.006 0.000 0.818 442 A HN 0.654 nan 8.150 nan 0.000 0.445 443 H N -1.172 117.691 119.070 -0.345 0.000 2.389 443 H HA -0.023 4.525 4.556 -0.014 0.000 0.299 443 H C 2.122 177.233 175.328 -0.361 0.000 1.081 443 H CA 0.895 56.700 56.048 -0.406 0.000 1.345 443 H CB -0.050 29.687 29.762 -0.041 0.000 1.393 443 H HN 0.382 nan 8.280 nan 0.000 0.520 444 L N 0.354 121.498 121.223 -0.132 0.000 2.017 444 L HA -0.233 4.099 4.340 -0.014 0.000 0.208 444 L C 2.248 178.988 176.870 -0.217 0.000 1.073 444 L CA 1.347 56.108 54.840 -0.132 0.000 0.745 444 L CB -0.383 41.622 42.059 -0.091 0.000 0.894 444 L HN 0.449 nan 8.230 nan 0.000 0.432 445 C N -0.084 118.984 119.300 -0.386 0.000 2.429 445 C HA -0.158 4.293 4.460 -0.014 0.000 0.277 445 C C 2.660 177.416 174.990 -0.389 0.000 1.262 445 C CA 0.478 59.198 59.018 -0.498 0.000 1.733 445 C CB -0.735 26.327 27.740 -1.130 0.000 2.010 445 C HN 0.505 nan 8.230 nan 0.000 0.483 446 I N 1.473 121.771 120.570 -0.454 0.000 2.142 446 I HA -0.214 3.948 4.170 -0.014 0.000 0.240 446 I C 2.779 178.747 176.117 -0.247 0.000 1.078 446 I CA 1.720 62.791 61.300 -0.381 0.000 1.343 446 I CB -0.587 37.048 38.000 -0.609 0.000 1.046 446 I HN 0.266 nan 8.210 nan 0.000 0.405 447 A N 0.507 123.158 122.820 -0.281 0.000 1.940 447 A HA -0.126 4.186 4.320 -0.014 0.000 0.219 447 A C 2.202 179.807 177.584 0.034 0.000 1.176 447 A CA 1.953 53.861 52.037 -0.214 0.000 0.631 447 A CB -1.195 17.506 19.000 -0.499 0.000 0.814 447 A HN 0.497 nan 8.150 nan 0.000 0.446 448 G N -1.206 107.563 108.800 -0.052 0.000 3.284 448 G HA2 0.418 4.369 3.960 -0.014 0.000 0.236 448 G HA3 0.418 4.369 3.960 -0.014 0.000 0.236 448 G C 0.130 174.861 174.900 -0.282 0.000 1.158 448 G CA 0.515 45.460 45.100 -0.259 0.000 0.774 448 G HN 0.363 nan 8.290 nan 0.000 0.545 449 S N -0.417 115.177 115.700 -0.177 0.000 2.566 449 S HA 0.345 4.807 4.470 -0.014 0.000 0.298 449 S C 0.603 175.155 174.600 -0.080 0.000 1.083 449 S CA -0.718 57.407 58.200 -0.124 0.000 0.978 449 S CB 1.244 64.376 63.200 -0.114 0.000 1.073 449 S HN 0.500 nan 8.310 nan 0.000 0.491 450 H N -0.458 118.576 119.070 -0.059 0.000 2.539 450 H HA 0.587 5.135 4.556 -0.014 0.000 0.269 450 H C -0.038 175.281 175.328 -0.014 0.000 0.980 450 H CA 0.078 56.118 56.048 -0.013 0.000 1.152 450 H CB 0.110 29.877 29.762 0.008 0.000 1.407 450 H HN 0.529 nan 8.280 nan 0.000 0.564 451 A N 0.770 123.332 122.820 -0.430 0.000 2.540 451 A HA 0.532 4.843 4.320 -0.014 0.000 0.297 451 A C -1.587 175.800 177.584 -0.329 0.000 1.056 451 A CA -0.547 51.270 52.037 -0.367 0.000 0.700 451 A CB 1.898 20.645 19.000 -0.422 0.000 1.280 451 A HN 0.090 nan 8.150 nan 0.000 0.398 452 V N 3.996 123.680 119.914 -0.382 0.000 2.588 452 V HA 0.604 4.716 4.120 -0.014 0.000 0.304 452 V C -0.635 175.277 176.094 -0.303 0.000 1.042 452 V CA -0.713 61.351 62.300 -0.393 0.000 0.877 452 V CB 1.906 33.349 31.823 -0.634 0.000 0.996 452 V HN 1.038 nan 8.190 nan 0.000 0.425 453 N N 2.815 121.348 118.700 -0.278 0.000 2.262 453 N HA 0.624 5.356 4.740 -0.014 0.000 0.295 453 N C -0.349 175.061 175.510 -0.168 0.000 1.161 453 N CA -0.393 52.541 53.050 -0.194 0.000 0.767 453 N CB 2.908 41.261 38.487 -0.224 0.000 1.499 453 N HN 0.662 nan 8.380 nan 0.000 0.476 454 G N -0.842 107.897 108.800 -0.102 0.000 2.511 454 G HA2 0.431 4.383 3.960 -0.014 0.000 0.316 454 G HA3 0.431 4.383 3.960 -0.014 0.000 0.316 454 G C 0.785 175.747 174.900 0.103 0.000 1.210 454 G CA -0.525 44.565 45.100 -0.016 0.000 0.969 454 G HN 0.600 nan 8.290 nan 0.000 0.492 455 V N -3.581 116.514 119.914 0.301 0.000 3.578 455 V HA 0.680 4.792 4.120 -0.014 0.000 0.290 455 V C 0.632 176.811 176.094 0.142 0.000 1.376 455 V CA 0.420 62.809 62.300 0.148 0.000 1.083 455 V CB -0.773 31.083 31.823 0.055 0.000 0.911 455 V HN 1.268 nan 8.190 nan 0.000 0.433 456 A N -0.205 122.711 122.820 0.161 0.000 2.605 456 A HA 0.639 4.951 4.320 -0.014 0.000 0.294 456 A C 0.712 178.348 177.584 0.086 0.000 1.062 456 A CA -0.194 51.913 52.037 0.117 0.000 0.682 456 A CB 1.289 20.348 19.000 0.098 0.000 1.278 456 A HN 0.006 nan 8.150 nan 0.000 0.410 457 R N 0.771 121.301 120.500 0.050 0.000 2.094 457 R HA -0.182 4.150 4.340 -0.014 0.000 0.239 457 R C 1.781 178.078 176.300 -0.005 0.000 1.137 457 R CA 2.367 58.472 56.100 0.010 0.000 0.943 457 R CB -0.262 30.040 30.300 0.002 0.000 0.850 457 R HN 0.839 nan 8.270 nan 0.000 0.433 458 I N 0.104 120.680 120.570 0.011 0.000 2.226 458 I HA -0.302 3.860 4.170 -0.014 0.000 0.245 458 I C 2.362 178.484 176.117 0.007 0.000 1.100 458 I CA 2.011 63.309 61.300 -0.003 0.000 1.374 458 I CB -0.294 37.706 38.000 -0.001 0.000 1.057 458 I HN 0.339 nan 8.210 nan 0.000 0.413 459 H N 0.476 119.518 119.070 -0.046 0.000 2.353 459 H HA -0.144 4.404 4.556 -0.014 0.000 0.300 459 H C 2.258 177.552 175.328 -0.056 0.000 1.090 459 H CA 2.236 58.252 56.048 -0.053 0.000 1.327 459 H CB -0.342 29.395 29.762 -0.041 0.000 1.383 459 H HN 0.285 nan 8.280 nan 0.000 0.508 460 S N 0.137 115.706 115.700 -0.217 0.000 2.368 460 S HA -0.133 4.329 4.470 -0.014 0.000 0.225 460 S C 1.936 176.404 174.600 -0.221 0.000 1.030 460 S CA 1.267 59.319 58.200 -0.247 0.000 0.999 460 S CB -0.099 63.033 63.200 -0.113 0.000 0.844 460 S HN 0.487 nan 8.310 nan 0.000 0.459 461 E N 1.010 121.108 120.200 -0.170 0.000 2.072 461 E HA -0.017 4.325 4.350 -0.014 0.000 0.191 461 E C 2.014 178.494 176.600 -0.201 0.000 0.985 461 E CA 0.626 56.917 56.400 -0.181 0.000 0.801 461 E CB -0.400 29.226 29.700 -0.124 0.000 0.750 461 E HN 0.495 nan 8.360 nan 0.000 0.452 462 I N 0.933 121.398 120.570 -0.175 0.000 2.264 462 I HA -0.291 3.871 4.170 -0.014 0.000 0.248 462 I C 2.360 178.346 176.117 -0.219 0.000 1.111 462 I CA 0.804 62.006 61.300 -0.164 0.000 1.382 462 I CB -0.169 37.765 38.000 -0.110 0.000 1.060 462 I HN 0.069 nan 8.210 nan 0.000 0.418 463 L N 0.172 121.230 121.223 -0.274 0.000 2.012 463 L HA -0.260 4.071 4.340 -0.014 0.000 0.210 463 L C 2.522 179.265 176.870 -0.211 0.000 1.073 463 L CA 1.624 56.316 54.840 -0.246 0.000 0.748 463 L CB -0.648 41.351 42.059 -0.101 0.000 0.891 463 L HN 0.200 nan 8.230 nan 0.000 0.431 464 K N -0.054 120.146 120.400 -0.333 0.000 2.097 464 K HA -0.143 4.169 4.320 -0.014 0.000 0.205 464 K C 2.132 178.520 176.600 -0.354 0.000 1.050 464 K CA 1.110 57.052 56.287 -0.574 0.000 0.938 464 K CB 0.033 31.967 32.500 -0.943 0.000 0.718 464 K HN 0.246 nan 8.250 nan 0.000 0.442 465 K N -0.374 119.876 120.400 -0.249 0.000 2.211 465 K HA 0.011 4.322 4.320 -0.014 0.000 0.201 465 K C 1.321 177.859 176.600 -0.104 0.000 1.052 465 K CA 0.971 57.169 56.287 -0.148 0.000 0.973 465 K CB 0.462 32.886 32.500 -0.127 0.000 0.766 465 K HN 0.083 nan 8.250 nan 0.000 0.466 466 T N 0.393 114.871 114.554 -0.127 0.000 3.066 466 T HA 0.060 4.402 4.350 -0.014 0.000 0.176 466 T C 1.510 176.142 174.700 -0.113 0.000 0.826 466 T CA -0.370 61.666 62.100 -0.106 0.000 1.280 466 T CB -0.476 68.323 68.868 -0.116 0.000 2.214 466 T HN -0.082 nan 8.240 nan 0.000 0.399 467 I N 1.036 121.470 120.570 -0.227 0.000 2.113 467 I HA -0.173 3.988 4.170 -0.014 0.000 0.242 467 I C 0.751 176.738 176.117 -0.217 0.000 1.057 467 I CA 1.885 62.964 61.300 -0.369 0.000 1.314 467 I CB -0.177 37.361 38.000 -0.770 0.000 1.022 467 I HN 0.372 nan 8.210 nan 0.000 0.408 468 F N -0.320 119.700 119.950 0.116 0.000 2.850 468 F HA 0.228 4.746 4.527 -0.014 0.000 0.306 468 F C 1.737 177.625 175.800 0.147 0.000 1.162 468 F CA -0.481 57.672 58.000 0.255 0.000 1.327 468 F CB -0.177 38.993 39.000 0.284 0.000 0.953 468 F HN -0.113 nan 8.300 nan 0.000 0.507 469 K N 1.015 121.518 120.400 0.172 0.000 2.020 469 K HA -0.220 4.092 4.320 -0.014 0.000 0.212 469 K C 1.335 177.988 176.600 0.088 0.000 1.050 469 K CA 2.207 58.541 56.287 0.078 0.000 0.929 469 K CB -0.050 32.463 32.500 0.021 0.000 0.714 469 K HN 0.240 nan 8.250 nan 0.000 0.443 470 D N -0.146 120.274 120.400 0.032 0.000 2.123 470 D HA -0.174 4.458 4.640 -0.014 0.000 0.196 470 D C 1.868 178.077 176.300 -0.151 0.000 0.992 470 D CA 1.269 55.166 54.000 -0.172 0.000 0.833 470 D CB -0.354 40.242 40.800 -0.340 0.000 0.954 470 D HN 0.227 nan 8.370 nan 0.000 0.455 471 F N -0.096 119.945 119.950 0.153 0.000 2.186 471 F HA -0.155 4.363 4.527 -0.014 0.000 0.299 471 F C 2.354 178.330 175.800 0.294 0.000 1.090 471 F CA 0.560 58.737 58.000 0.295 0.000 1.307 471 F CB -0.657 38.601 39.000 0.430 0.000 1.019 471 F HN -0.028 nan 8.300 nan 0.000 0.489 472 Y N 1.330 121.609 120.300 -0.034 0.000 2.242 472 Y HA -0.178 4.363 4.550 -0.014 0.000 0.291 472 Y C 2.117 178.001 175.900 -0.026 0.000 1.137 472 Y CA 1.569 59.450 58.100 -0.364 0.000 1.181 472 Y CB -0.629 37.432 38.460 -0.665 0.000 0.989 472 Y HN 0.138 nan 8.280 nan 0.000 0.527 473 E N -0.073 120.072 120.200 -0.091 0.000 2.106 473 E HA -0.199 4.142 4.350 -0.014 0.000 0.192 473 E C 2.270 178.918 176.600 0.081 0.000 0.984 473 E CA 1.039 57.395 56.400 -0.075 0.000 0.806 473 E CB -0.232 29.480 29.700 0.020 0.000 0.750 473 E HN 0.446 nan 8.360 nan 0.000 0.458 474 L N 0.840 122.165 121.223 0.170 0.000 2.005 474 L HA -0.098 4.234 4.340 -0.014 0.000 0.207 474 L C 0.203 177.154 176.870 0.136 0.000 1.072 474 L CA 1.502 56.475 54.840 0.222 0.000 0.744 474 L CB 0.101 42.303 42.059 0.238 0.000 0.895 474 L HN 0.077 nan 8.230 nan 0.000 0.433 475 E N 0.010 120.287 120.200 0.127 0.000 2.914 475 E HA 0.172 4.513 4.350 -0.014 0.000 0.246 475 E C -1.991 174.550 176.600 -0.097 0.000 1.146 475 E CA -1.449 54.914 56.400 -0.061 0.000 0.803 475 E CB 0.997 30.613 29.700 -0.140 0.000 1.409 475 E HN 0.199 nan 8.360 nan 0.000 0.392 476 P HA -0.245 nan 4.420 nan 0.000 0.220 476 P C 1.188 178.594 177.300 0.176 0.000 1.148 476 P CA 1.360 64.373 63.100 -0.145 0.000 0.803 476 P CB -0.064 31.406 31.700 -0.383 0.000 0.782 477 H N 0.367 119.545 119.070 0.181 0.000 2.421 477 H HA 0.042 4.589 4.556 -0.014 0.000 0.298 477 H C 1.584 177.008 175.328 0.159 0.000 1.087 477 H CA 0.893 57.036 56.048 0.157 0.000 1.330 477 H CB -0.737 29.087 29.762 0.102 0.000 1.388 477 H HN 0.122 nan 8.280 nan 0.000 0.526 478 K N 0.524 120.837 120.400 -0.144 0.000 2.097 478 K HA -0.027 4.285 4.320 -0.014 0.000 0.206 478 K C 0.089 176.568 176.600 -0.202 0.000 1.049 478 K CA 0.634 56.818 56.287 -0.172 0.000 0.933 478 K CB -0.089 32.163 32.500 -0.413 0.000 0.717 478 K HN 0.104 nan 8.250 nan 0.000 0.442 479 F N 1.844 121.830 119.950 0.059 0.000 2.467 479 F HA 0.082 4.601 4.527 -0.014 0.000 0.362 479 F C 0.652 176.457 175.800 0.009 0.000 1.090 479 F CA 0.049 58.078 58.000 0.050 0.000 1.202 479 F CB 0.636 39.711 39.000 0.125 0.000 1.113 479 F HN 0.012 nan 8.300 nan 0.000 0.541 480 Q N 1.765 121.602 119.800 0.062 0.000 2.943 480 Q HA 0.425 4.756 4.340 -0.014 0.000 0.328 480 Q C -1.260 174.702 176.000 -0.063 0.000 0.934 480 Q CA -1.360 54.432 55.803 -0.018 0.000 0.782 480 Q CB 2.734 31.412 28.738 -0.101 0.000 1.470 480 Q HN 0.647 nan 8.270 nan 0.000 0.503 481 N N 0.110 118.747 118.700 -0.104 0.000 2.284 481 N HA 0.300 5.031 4.740 -0.014 0.000 0.289 481 N C -1.696 173.714 175.510 -0.168 0.000 1.179 481 N CA -0.429 52.558 53.050 -0.106 0.000 0.774 481 N CB 1.619 40.069 38.487 -0.063 0.000 1.548 481 N HN 0.323 nan 8.380 nan 0.000 0.473 482 K N 2.376 122.687 120.400 -0.148 0.000 2.790 482 K HA 0.177 4.489 4.320 -0.014 0.000 0.253 482 K C -1.110 175.506 176.600 0.026 0.000 1.082 482 K CA -0.454 55.722 56.287 -0.186 0.000 1.067 482 K CB 1.121 33.287 32.500 -0.558 0.000 1.284 482 K HN 0.572 nan 8.250 nan 0.000 0.529 483 T N 2.071 116.657 114.554 0.054 0.000 2.908 483 T HA 0.051 4.392 4.350 -0.014 0.000 0.301 483 T C 0.849 175.684 174.700 0.224 0.000 1.019 483 T CA 0.388 62.571 62.100 0.138 0.000 1.152 483 T CB 0.253 69.205 68.868 0.140 0.000 0.966 483 T HN 0.348 nan 8.240 nan 0.000 0.540 484 N N 0.671 119.522 118.700 0.253 0.000 2.231 484 N HA 0.390 5.121 4.740 -0.014 0.000 0.223 484 N C 0.527 176.227 175.510 0.317 0.000 1.329 484 N CA -0.083 53.149 53.050 0.304 0.000 0.889 484 N CB 0.340 38.946 38.487 0.200 0.000 1.125 484 N HN 0.775 nan 8.380 nan 0.000 0.447 485 G N -0.866 108.124 108.800 0.317 0.000 2.600 485 G HA2 0.577 4.528 3.960 -0.014 0.000 0.293 485 G HA3 0.577 4.528 3.960 -0.014 0.000 0.293 485 G C -1.487 173.551 174.900 0.231 0.000 1.408 485 G CA -0.762 44.514 45.100 0.293 0.000 0.782 485 G HN 0.597 nan 8.290 nan 0.000 0.482 486 I N -2.607 118.085 120.570 0.204 0.000 3.042 486 I HA 0.800 4.961 4.170 -0.014 0.000 0.310 486 I C -0.209 176.070 176.117 0.270 0.000 1.117 486 I CA -1.067 60.351 61.300 0.195 0.000 1.003 486 I CB 2.373 40.383 38.000 0.017 0.000 1.228 486 I HN 0.507 nan 8.210 nan 0.000 0.443 487 T N 3.044 117.823 114.554 0.374 0.000 2.749 487 T HA 0.393 4.735 4.350 -0.014 0.000 0.295 487 T C -1.470 173.350 174.700 0.200 0.000 0.936 487 T CA -1.791 60.445 62.100 0.227 0.000 1.060 487 T CB 0.822 69.766 68.868 0.126 0.000 0.904 487 T HN 0.600 nan 8.240 nan 0.000 0.500 488 P HA -0.035 nan 4.420 nan 0.000 0.222 488 P C 1.202 178.482 177.300 -0.033 0.000 1.147 488 P CA 0.610 63.750 63.100 0.068 0.000 0.790 488 P CB 0.353 32.070 31.700 0.029 0.000 0.780 489 R N 0.260 120.689 120.500 -0.119 0.000 2.070 489 R HA -0.028 4.303 4.340 -0.014 0.000 0.227 489 R C 2.747 178.935 176.300 -0.187 0.000 1.147 489 R CA 1.669 57.657 56.100 -0.187 0.000 0.924 489 R CB -1.219 28.970 30.300 -0.185 0.000 0.827 489 R HN 0.068 nan 8.270 nan 0.000 0.431 490 R N -0.664 119.666 120.500 -0.283 0.000 2.075 490 R HA -0.116 4.215 4.340 -0.014 0.000 0.232 490 R C 1.297 177.260 176.300 -0.561 0.000 1.126 490 R CA 1.624 57.413 56.100 -0.519 0.000 0.963 490 R CB -0.263 29.547 30.300 -0.816 0.000 0.858 490 R HN 0.307 nan 8.270 nan 0.000 0.435 491 W N 0.204 121.461 121.300 -0.072 0.000 3.204 491 W HA 0.092 4.743 4.660 -0.015 0.000 0.249 491 W C 1.061 177.549 176.519 -0.052 0.000 1.322 491 W CA -0.605 56.697 57.345 -0.073 0.000 1.593 491 W CB 0.299 29.721 29.460 -0.063 0.000 1.122 491 W HN 0.272 nan 8.180 nan 0.000 0.710 492 L N -2.525 118.752 121.223 0.091 0.000 2.604 492 L HA 0.153 4.485 4.340 -0.014 0.000 0.150 492 L C 1.756 178.643 176.870 0.028 0.000 1.292 492 L CA 0.659 55.549 54.840 0.084 0.000 0.977 492 L CB -0.860 41.272 42.059 0.121 0.000 1.943 492 L HN -0.275 nan 8.230 nan 0.000 0.508 493 V N 1.288 121.197 119.914 -0.007 0.000 2.332 493 V HA -0.271 3.841 4.120 -0.014 0.000 0.248 493 V C 2.441 178.508 176.094 -0.044 0.000 1.055 493 V CA 2.505 64.790 62.300 -0.026 0.000 1.038 493 V CB -0.708 31.069 31.823 -0.076 0.000 0.651 493 V HN 0.514 nan 8.190 nan 0.000 0.450 494 L N 0.402 121.571 121.223 -0.090 0.000 2.023 494 L HA -0.160 4.172 4.340 -0.014 0.000 0.205 494 L C 2.504 179.315 176.870 -0.099 0.000 1.073 494 L CA 2.236 57.008 54.840 -0.114 0.000 0.745 494 L CB -0.246 41.696 42.059 -0.196 0.000 0.900 494 L HN 0.640 nan 8.230 nan 0.000 0.435 495 C N -1.715 117.521 119.300 -0.106 0.000 2.514 495 C HA 0.188 4.640 4.460 -0.014 0.000 0.271 495 C C 1.148 176.123 174.990 -0.024 0.000 1.399 495 C CA -0.312 58.664 59.018 -0.071 0.000 1.765 495 C CB -1.049 26.653 27.740 -0.063 0.000 1.893 495 C HN 0.573 nan 8.230 nan 0.000 0.531 496 N N 1.114 119.810 118.700 -0.006 0.000 2.733 496 N HA 0.288 5.019 4.740 -0.014 0.000 0.271 496 N C -1.842 173.680 175.510 0.020 0.000 1.720 496 N CA -1.529 51.528 53.050 0.012 0.000 0.803 496 N CB 0.863 39.364 38.487 0.025 0.000 1.208 496 N HN 0.235 nan 8.380 nan 0.000 0.498 497 P HA -0.028 nan 4.420 nan 0.000 0.218 497 P C 1.383 178.698 177.300 0.026 0.000 1.149 497 P CA 0.845 63.956 63.100 0.019 0.000 0.817 497 P CB 0.288 31.993 31.700 0.008 0.000 0.785 498 G N 0.783 109.594 108.800 0.017 0.000 2.421 498 G HA2 -0.247 3.704 3.960 -0.014 0.000 0.216 498 G HA3 -0.247 3.704 3.960 -0.014 0.000 0.216 498 G C 1.508 176.415 174.900 0.011 0.000 1.171 498 G CA 0.725 45.831 45.100 0.011 0.000 0.775 498 G HN 0.264 nan 8.290 nan 0.000 0.543 499 L N 1.231 122.462 121.223 0.012 0.000 2.109 499 L HA 0.282 4.614 4.340 -0.014 0.000 0.207 499 L C 2.989 179.885 176.870 0.045 0.000 1.086 499 L CA 1.956 56.800 54.840 0.007 0.000 0.760 499 L CB -0.631 41.434 42.059 0.009 0.000 0.910 499 L HN 0.220 nan 8.230 nan 0.000 0.437 500 A N -0.745 122.123 122.820 0.080 0.000 1.933 500 A HA -0.217 4.095 4.320 -0.014 0.000 0.218 500 A C 2.218 179.895 177.584 0.154 0.000 1.175 500 A CA 1.613 53.745 52.037 0.159 0.000 0.628 500 A CB -0.613 18.478 19.000 0.152 0.000 0.814 500 A HN 0.538 nan 8.150 nan 0.000 0.444 501 E N 0.939 121.193 120.200 0.090 0.000 2.031 501 E HA -0.181 4.161 4.350 -0.014 0.000 0.193 501 E C 1.869 178.513 176.600 0.072 0.000 0.994 501 E CA 1.729 58.173 56.400 0.075 0.000 0.800 501 E CB -0.553 29.173 29.700 0.043 0.000 0.752 501 E HN 0.723 nan 8.360 nan 0.000 0.447 502 I N -1.567 119.038 120.570 0.058 0.000 2.361 502 I HA -0.174 3.988 4.170 -0.014 0.000 0.251 502 I C 2.201 178.403 176.117 0.142 0.000 1.133 502 I CA 1.233 62.582 61.300 0.082 0.000 1.413 502 I CB -0.402 37.616 38.000 0.030 0.000 1.073 502 I HN 0.044 nan 8.210 nan 0.000 0.424 503 I N 1.977 122.608 120.570 0.101 0.000 2.202 503 I HA -0.193 3.969 4.170 -0.014 0.000 0.242 503 I C 3.019 179.104 176.117 -0.053 0.000 1.091 503 I CA 1.359 62.656 61.300 -0.005 0.000 1.368 503 I CB -0.441 37.444 38.000 -0.192 0.000 1.058 503 I HN 0.299 nan 8.210 nan 0.000 0.410 504 A N 0.178 123.055 122.820 0.095 0.000 1.972 504 A HA -0.222 4.090 4.320 -0.014 0.000 0.219 504 A C 2.161 179.780 177.584 0.059 0.000 1.169 504 A CA 1.525 53.663 52.037 0.167 0.000 0.635 504 A CB -0.562 18.567 19.000 0.215 0.000 0.810 504 A HN 0.429 nan 8.150 nan 0.000 0.446 505 E N -0.690 119.528 120.200 0.031 0.000 2.153 505 E HA -0.186 4.155 4.350 -0.014 0.000 0.194 505 E C 2.236 178.807 176.600 -0.049 0.000 0.988 505 E CA 1.112 57.516 56.400 0.006 0.000 0.811 505 E CB 0.006 29.718 29.700 0.020 0.000 0.746 505 E HN 0.526 nan 8.360 nan 0.000 0.466 506 R N -0.050 120.365 120.500 -0.143 0.000 2.103 506 R HA 0.081 4.413 4.340 -0.014 0.000 0.212 506 R C 2.313 178.506 176.300 -0.179 0.000 1.107 506 R CA 0.811 56.738 56.100 -0.289 0.000 1.025 506 R CB -0.303 29.507 30.300 -0.816 0.000 0.929 506 R HN 0.271 nan 8.270 nan 0.000 0.456 507 I N -2.294 118.184 120.570 -0.153 0.000 4.018 507 I HA 0.439 4.601 4.170 -0.014 0.000 0.337 507 I C 0.554 176.702 176.117 0.052 0.000 1.327 507 I CA 0.120 61.391 61.300 -0.049 0.000 1.100 507 I CB 0.800 38.748 38.000 -0.087 0.000 1.025 507 I HN 0.225 nan 8.210 nan 0.000 0.396 508 G N 1.896 110.742 108.800 0.077 0.000 2.587 508 G HA2 -0.207 3.745 3.960 -0.014 0.000 0.212 508 G HA3 -0.207 3.745 3.960 -0.014 0.000 0.212 508 G C -0.006 175.029 174.900 0.226 0.000 1.327 508 G CA 0.203 45.375 45.100 0.120 0.000 0.898 508 G HN 0.399 nan 8.290 nan 0.000 0.551 509 E N -0.561 119.721 120.200 0.137 0.000 2.465 509 E HA 0.104 4.446 4.350 -0.014 0.000 0.209 509 E C 1.792 178.338 176.600 -0.089 0.000 0.951 509 E CA -0.056 56.355 56.400 0.019 0.000 0.997 509 E CB 0.310 30.012 29.700 0.002 0.000 1.025 509 E HN 0.446 nan 8.360 nan 0.000 0.500 510 E N 0.665 120.887 120.200 0.037 0.000 2.396 510 E HA -0.191 4.151 4.350 -0.014 0.000 0.200 510 E C 1.510 178.116 176.600 0.010 0.000 1.023 510 E CA 0.869 57.284 56.400 0.025 0.000 0.857 510 E CB -0.000 29.735 29.700 0.059 0.000 0.775 510 E HN 0.514 nan 8.360 nan 0.000 0.525 511 Y N -1.424 118.878 120.300 0.003 0.000 2.509 511 Y HA -0.012 4.530 4.550 -0.013 0.000 0.293 511 Y C 1.833 177.707 175.900 -0.042 0.000 1.133 511 Y CA 0.274 58.368 58.100 -0.011 0.000 1.283 511 Y CB -0.297 38.160 38.460 -0.005 0.000 1.001 511 Y HN -0.093 nan 8.280 nan 0.000 0.555 512 I N 1.161 121.274 120.570 -0.762 0.000 2.454 512 I HA -0.187 3.975 4.170 -0.014 0.000 0.254 512 I C 1.458 177.331 176.117 -0.406 0.000 1.156 512 I CA 1.640 62.540 61.300 -0.666 0.000 1.433 512 I CB -1.214 36.288 38.000 -0.831 0.000 1.082 512 I HN 0.510 nan 8.210 nan 0.000 0.432 513 S N -1.561 114.002 115.700 -0.228 0.000 2.650 513 S HA 0.196 4.657 4.470 -0.014 0.000 0.240 513 S C 0.260 174.846 174.600 -0.022 0.000 1.007 513 S CA -0.419 57.722 58.200 -0.098 0.000 0.984 513 S CB 0.445 63.656 63.200 0.017 0.000 0.910 513 S HN 0.284 nan 8.310 nan 0.000 0.509 514 D N 0.937 121.334 120.400 -0.006 0.000 2.978 514 D HA 0.245 4.877 4.640 -0.014 0.000 0.268 514 D C 0.680 177.030 176.300 0.083 0.000 1.252 514 D CA -0.342 53.680 54.000 0.036 0.000 0.771 514 D CB -0.113 40.713 40.800 0.043 0.000 1.361 514 D HN 0.100 nan 8.370 nan 0.000 0.558 515 L N 0.396 121.670 121.223 0.084 0.000 2.263 515 L HA -0.143 4.189 4.340 -0.014 0.000 0.216 515 L C 1.100 178.022 176.870 0.086 0.000 1.111 515 L CA 1.185 56.101 54.840 0.128 0.000 0.773 515 L CB 0.053 42.176 42.059 0.106 0.000 0.906 515 L HN 0.304 nan 8.230 nan 0.000 0.439 516 D N -0.302 120.127 120.400 0.048 0.000 2.182 516 D HA -0.212 4.419 4.640 -0.014 0.000 0.201 516 D C 2.038 178.357 176.300 0.031 0.000 0.986 516 D CA 0.925 54.937 54.000 0.020 0.000 0.847 516 D CB -0.022 40.779 40.800 0.003 0.000 0.942 516 D HN 0.472 nan 8.370 nan 0.000 0.467 517 Q N -0.187 119.648 119.800 0.058 0.000 2.443 517 Q HA -0.127 4.205 4.340 -0.014 0.000 0.213 517 Q C 1.771 177.782 176.000 0.019 0.000 0.982 517 Q CA 0.153 55.989 55.803 0.056 0.000 0.894 517 Q CB 0.043 28.844 28.738 0.106 0.000 0.947 517 Q HN 0.194 nan 8.270 nan 0.000 0.480 518 L N 0.644 121.870 121.223 0.006 0.000 2.191 518 L HA -0.162 4.170 4.340 -0.014 0.000 0.212 518 L C 2.070 178.926 176.870 -0.025 0.000 1.103 518 L CA 1.500 56.306 54.840 -0.057 0.000 0.769 518 L CB -0.478 41.563 42.059 -0.029 0.000 0.908 518 L HN 0.136 nan 8.230 nan 0.000 0.438 519 R N -0.364 120.136 120.500 -0.001 0.000 2.139 519 R HA -0.199 4.132 4.340 -0.014 0.000 0.243 519 R C 1.927 178.232 176.300 0.008 0.000 1.145 519 R CA 1.192 57.295 56.100 0.006 0.000 0.976 519 R CB -0.264 30.038 30.300 0.002 0.000 0.866 519 R HN 0.420 nan 8.270 nan 0.000 0.449 520 K N 0.572 120.976 120.400 0.007 0.000 2.442 520 K HA -0.107 4.204 4.320 -0.014 0.000 0.199 520 K C 1.814 178.461 176.600 0.079 0.000 1.044 520 K CA 0.710 57.015 56.287 0.030 0.000 0.941 520 K CB -0.055 32.466 32.500 0.035 0.000 0.759 520 K HN 0.265 nan 8.250 nan 0.000 0.472 521 L N 0.455 121.696 121.223 0.030 0.000 2.395 521 L HA -0.102 4.230 4.340 -0.014 0.000 0.218 521 L C 1.852 178.780 176.870 0.097 0.000 1.130 521 L CA 0.033 54.893 54.840 0.032 0.000 0.826 521 L CB -0.146 41.892 42.059 -0.035 0.000 0.941 521 L HN 0.139 nan 8.230 nan 0.000 0.451 522 L N 0.154 121.410 121.223 0.054 0.000 2.079 522 L HA -0.197 4.135 4.340 -0.014 0.000 0.210 522 L C 2.695 179.559 176.870 -0.010 0.000 1.081 522 L CA 2.017 56.876 54.840 0.031 0.000 0.752 522 L CB -0.893 41.171 42.059 0.008 0.000 0.896 522 L HN 0.335 nan 8.230 nan 0.000 0.433 523 S N -2.686 112.971 115.700 -0.072 0.000 2.660 523 S HA -0.079 4.382 4.470 -0.014 0.000 0.223 523 S C 1.160 175.491 174.600 -0.449 0.000 0.963 523 S CA 0.270 58.323 58.200 -0.246 0.000 0.932 523 S CB -0.549 62.456 63.200 -0.324 0.000 0.775 523 S HN 0.484 nan 8.310 nan 0.000 0.531 524 Y N -0.673 119.545 120.300 -0.137 0.000 2.557 524 Y HA 0.420 4.967 4.550 -0.004 0.000 0.247 524 Y C 1.880 177.783 175.900 0.004 0.000 1.164 524 Y CA -0.543 57.462 58.100 -0.159 0.000 1.218 524 Y CB 0.257 38.408 38.460 -0.515 0.000 1.210 524 Y HN 0.251 nan 8.280 nan 0.000 0.529 525 V N 0.524 120.509 119.914 0.119 0.000 2.688 525 V HA -0.234 3.878 4.120 -0.014 0.000 0.256 525 V C 0.906 177.064 176.094 0.107 0.000 1.084 525 V CA 2.333 64.712 62.300 0.132 0.000 1.103 525 V CB -0.025 31.840 31.823 0.070 0.000 0.688 525 V HN 0.376 nan 8.190 nan 0.000 0.480 526 D N -1.045 119.396 120.400 0.069 0.000 2.433 526 D HA 0.117 4.749 4.640 -0.014 0.000 0.211 526 D C 0.363 176.706 176.300 0.070 0.000 1.114 526 D CA -0.093 53.939 54.000 0.053 0.000 0.837 526 D CB 0.135 40.943 40.800 0.013 0.000 0.984 526 D HN 0.436 nan 8.370 nan 0.000 0.505 527 D N 1.644 122.115 120.400 0.119 0.000 2.371 527 D HA -0.051 4.580 4.640 -0.014 0.000 0.256 527 D C 1.213 177.614 176.300 0.168 0.000 1.193 527 D CA 0.120 54.212 54.000 0.153 0.000 0.881 527 D CB 1.597 42.558 40.800 0.268 0.000 1.143 527 D HN -0.217 nan 8.370 nan 0.000 0.473 528 E N 3.402 123.670 120.200 0.113 0.000 2.110 528 E HA -0.117 4.225 4.350 -0.014 0.000 0.193 528 E C 1.651 178.312 176.600 0.101 0.000 0.988 528 E CA 1.280 57.734 56.400 0.090 0.000 0.804 528 E CB -0.181 29.554 29.700 0.058 0.000 0.745 528 E HN 0.595 nan 8.360 nan 0.000 0.458 529 A N -0.150 122.746 122.820 0.126 0.000 1.841 529 A HA -0.138 4.174 4.320 -0.014 0.000 0.214 529 A C 2.303 179.982 177.584 0.158 0.000 1.195 529 A CA 1.323 53.434 52.037 0.122 0.000 0.611 529 A CB -1.141 17.936 19.000 0.128 0.000 0.835 529 A HN 0.383 nan 8.150 nan 0.000 0.443 530 F N 0.470 120.446 119.950 0.043 0.000 2.065 530 F HA -0.249 4.271 4.527 -0.012 0.000 0.298 530 F C 2.145 177.960 175.800 0.025 0.000 1.112 530 F CA 1.961 59.976 58.000 0.024 0.000 1.212 530 F CB -0.185 38.847 39.000 0.053 0.000 0.975 530 F HN 0.182 nan 8.300 nan 0.000 0.476 531 I N -0.010 120.632 120.570 0.119 0.000 2.194 531 I HA -0.386 3.776 4.170 -0.014 0.000 0.246 531 I C 2.552 178.636 176.117 -0.054 0.000 1.093 531 I CA 1.763 63.070 61.300 0.011 0.000 1.355 531 I CB -0.495 37.547 38.000 0.070 0.000 1.046 531 I HN 0.130 nan 8.210 nan 0.000 0.413 532 R N 0.785 121.271 120.500 -0.023 0.000 2.075 532 R HA -0.180 4.152 4.340 -0.014 0.000 0.232 532 R C 1.914 178.169 176.300 -0.075 0.000 1.126 532 R CA 1.827 57.907 56.100 -0.033 0.000 0.963 532 R CB -0.108 30.189 30.300 -0.005 0.000 0.858 532 R HN 0.275 nan 8.270 nan 0.000 0.435 533 D N -0.309 120.024 120.400 -0.111 0.000 2.077 533 D HA -0.131 4.501 4.640 -0.014 0.000 0.196 533 D C 1.965 178.130 176.300 -0.226 0.000 0.986 533 D CA 1.418 55.327 54.000 -0.151 0.000 0.829 533 D CB -0.385 40.325 40.800 -0.150 0.000 0.983 533 D HN 0.048 nan 8.370 nan 0.000 0.453 534 V N 1.531 121.203 119.914 -0.404 0.000 2.278 534 V HA -0.304 3.808 4.120 -0.014 0.000 0.251 534 V C 2.484 178.480 176.094 -0.163 0.000 1.062 534 V CA 2.091 64.173 62.300 -0.363 0.000 1.038 534 V CB -0.842 30.712 31.823 -0.448 0.000 0.646 534 V HN 0.219 nan 8.190 nan 0.000 0.447 535 A N -0.926 121.822 122.820 -0.120 0.000 1.969 535 A HA -0.230 4.082 4.320 -0.014 0.000 0.218 535 A C 2.350 179.900 177.584 -0.056 0.000 1.169 535 A CA 1.988 53.992 52.037 -0.055 0.000 0.635 535 A CB -0.418 18.557 19.000 -0.042 0.000 0.810 535 A HN 0.545 nan 8.150 nan 0.000 0.445 536 K N 0.150 120.509 120.400 -0.068 0.000 2.001 536 K HA -0.106 4.206 4.320 -0.014 0.000 0.208 536 K C 2.039 178.614 176.600 -0.042 0.000 1.048 536 K CA 1.712 57.969 56.287 -0.050 0.000 0.932 536 K CB -0.386 32.085 32.500 -0.047 0.000 0.715 536 K HN 0.411 nan 8.250 nan 0.000 0.437 537 V N 0.182 120.065 119.914 -0.052 0.000 2.332 537 V HA -0.224 3.888 4.120 -0.014 0.000 0.248 537 V C 2.215 178.298 176.094 -0.019 0.000 1.055 537 V CA 2.194 64.474 62.300 -0.033 0.000 1.038 537 V CB -0.730 31.068 31.823 -0.042 0.000 0.651 537 V HN 0.229 nan 8.190 nan 0.000 0.450 538 K N 0.570 120.957 120.400 -0.022 0.000 2.147 538 K HA -0.206 4.106 4.320 -0.014 0.000 0.205 538 K C 2.244 178.829 176.600 -0.025 0.000 1.049 538 K CA 2.109 58.394 56.287 -0.005 0.000 0.936 538 K CB -0.616 31.897 32.500 0.021 0.000 0.722 538 K HN 0.595 nan 8.250 nan 0.000 0.446 539 Q N 0.887 120.665 119.800 -0.037 0.000 2.123 539 Q HA -0.038 4.294 4.340 -0.014 0.000 0.199 539 Q C 1.556 177.541 176.000 -0.026 0.000 0.966 539 Q CA 1.725 57.496 55.803 -0.052 0.000 0.845 539 Q CB 0.015 28.723 28.738 -0.049 0.000 0.907 539 Q HN 0.516 nan 8.270 nan 0.000 0.439 540 E N -0.542 119.654 120.200 -0.007 0.000 2.072 540 E HA -0.120 4.222 4.350 -0.014 0.000 0.191 540 E C 1.659 178.283 176.600 0.041 0.000 0.985 540 E CA 0.849 57.258 56.400 0.015 0.000 0.801 540 E CB 0.026 29.733 29.700 0.012 0.000 0.750 540 E HN 0.369 nan 8.360 nan 0.000 0.452 541 N N 0.983 119.705 118.700 0.038 0.000 2.120 541 N HA -0.142 4.590 4.740 -0.014 0.000 0.188 541 N C 1.449 177.038 175.510 0.132 0.000 1.024 541 N CA 1.085 54.178 53.050 0.071 0.000 0.852 541 N CB -0.072 38.443 38.487 0.045 0.000 1.003 541 N HN 0.109 nan 8.380 nan 0.000 0.424 542 K N 0.395 120.841 120.400 0.076 0.000 2.148 542 K HA 0.027 4.339 4.320 -0.014 0.000 0.204 542 K C 2.026 178.736 176.600 0.184 0.000 1.050 542 K CA 0.562 56.908 56.287 0.098 0.000 0.942 542 K CB -0.070 32.248 32.500 -0.304 0.000 0.724 542 K HN 0.123 nan 8.250 nan 0.000 0.446 543 L N 0.933 122.216 121.223 0.100 0.000 2.072 543 L HA -0.142 4.190 4.340 -0.014 0.000 0.205 543 L C 2.562 179.517 176.870 0.143 0.000 1.079 543 L CA 1.073 55.975 54.840 0.103 0.000 0.752 543 L CB -0.228 41.866 42.059 0.059 0.000 0.906 543 L HN 0.080 nan 8.230 nan 0.000 0.436 544 K N -0.365 120.129 120.400 0.156 0.000 2.057 544 K HA -0.195 4.117 4.320 -0.014 0.000 0.207 544 K C 2.175 178.922 176.600 0.244 0.000 1.049 544 K CA 1.529 57.918 56.287 0.170 0.000 0.931 544 K CB -0.196 32.394 32.500 0.149 0.000 0.714 544 K HN 0.110 nan 8.250 nan 0.000 0.440 545 F N 1.411 121.449 119.950 0.148 0.000 2.163 545 F HA -0.084 4.435 4.527 -0.014 0.000 0.297 545 F C 2.113 178.045 175.800 0.219 0.000 1.094 545 F CA 1.208 59.310 58.000 0.171 0.000 1.290 545 F CB -0.531 38.566 39.000 0.163 0.000 1.017 545 F HN 0.009 nan 8.300 nan 0.000 0.483 546 A N 0.174 123.112 122.820 0.197 0.000 1.978 546 A HA -0.094 4.218 4.320 -0.014 0.000 0.220 546 A C 2.371 179.949 177.584 -0.011 0.000 1.170 546 A CA 1.887 53.962 52.037 0.065 0.000 0.636 546 A CB -1.441 17.656 19.000 0.163 0.000 0.810 546 A HN 0.484 nan 8.150 nan 0.000 0.448 547 A N -1.318 121.532 122.820 0.050 0.000 1.843 547 A HA -0.001 4.311 4.320 -0.014 0.000 0.213 547 A C 2.097 179.694 177.584 0.021 0.000 1.202 547 A CA 1.438 53.504 52.037 0.048 0.000 0.607 547 A CB -0.998 18.049 19.000 0.079 0.000 0.847 547 A HN 0.766 nan 8.150 nan 0.000 0.445 548 Y N 0.294 120.540 120.300 -0.090 0.000 2.139 548 Y HA -0.269 4.273 4.550 -0.014 0.000 0.282 548 Y C 1.899 177.710 175.900 -0.148 0.000 1.179 548 Y CA 1.901 59.940 58.100 -0.103 0.000 1.161 548 Y CB -0.419 37.994 38.460 -0.078 0.000 0.970 548 Y HN 0.197 nan 8.280 nan 0.000 0.511 549 L N 0.888 122.050 121.223 -0.102 0.000 1.989 549 L HA -0.237 4.095 4.340 -0.014 0.000 0.211 549 L C 2.402 179.225 176.870 -0.079 0.000 1.071 549 L CA 2.203 56.971 54.840 -0.119 0.000 0.749 549 L CB -1.128 40.783 42.059 -0.246 0.000 0.890 549 L HN 0.361 nan 8.230 nan 0.000 0.431 550 E N -1.614 118.545 120.200 -0.069 0.000 2.152 550 E HA -0.159 4.183 4.350 -0.014 0.000 0.192 550 E C 2.276 178.828 176.600 -0.081 0.000 0.983 550 E CA 0.408 56.791 56.400 -0.028 0.000 0.818 550 E CB 0.085 29.804 29.700 0.031 0.000 0.758 550 E HN 0.359 nan 8.360 nan 0.000 0.467 551 R N 0.702 121.116 120.500 -0.144 0.000 2.092 551 R HA -0.155 4.177 4.340 -0.014 0.000 0.226 551 R C 2.022 178.152 176.300 -0.284 0.000 1.140 551 R CA 1.653 57.640 56.100 -0.188 0.000 0.910 551 R CB -0.062 30.113 30.300 -0.210 0.000 0.822 551 R HN -0.016 nan 8.270 nan 0.000 0.433 552 E N -1.616 118.274 120.200 -0.517 0.000 2.299 552 E HA -0.070 4.272 4.350 -0.014 0.000 0.193 552 E C 0.778 176.927 176.600 -0.751 0.000 0.998 552 E CA 0.828 56.804 56.400 -0.705 0.000 0.851 552 E CB 0.387 29.432 29.700 -1.091 0.000 0.795 552 E HN 0.375 nan 8.360 nan 0.000 0.492 553 Y N -0.163 120.013 120.300 -0.206 0.000 2.452 553 Y HA 0.280 4.822 4.550 -0.014 0.000 0.262 553 Y C -0.348 175.520 175.900 -0.054 0.000 1.089 553 Y CA -0.425 57.619 58.100 -0.094 0.000 1.262 553 Y CB 0.789 39.212 38.460 -0.062 0.000 1.236 553 Y HN -0.339 nan 8.280 nan 0.000 0.512 554 K N 1.025 121.457 120.400 0.054 0.000 6.236 554 K HA -0.075 4.236 4.320 -0.014 0.000 0.607 554 K C -0.587 176.053 176.600 0.066 0.000 1.570 554 K CA 0.953 57.266 56.287 0.043 0.000 1.551 554 K CB -1.537 30.976 32.500 0.022 0.000 1.812 554 K HN 0.430 nan 8.250 nan 0.000 0.338 555 V N -2.601 117.357 119.914 0.073 0.000 5.914 555 V HA 0.002 4.114 4.120 -0.014 0.000 0.826 555 V C -0.117 176.055 176.094 0.130 0.000 2.320 555 V CA -0.018 62.338 62.300 0.094 0.000 4.312 555 V CB -1.143 30.731 31.823 0.085 0.000 0.128 555 V HN 0.997 nan 8.190 nan 0.000 0.619 556 H N 0.964 120.041 119.070 0.012 0.000 2.892 556 H HA -0.086 4.462 4.556 -0.014 0.000 0.274 556 H C -0.284 175.051 175.328 0.012 0.000 0.794 556 H CA 1.901 57.957 56.048 0.014 0.000 1.128 556 H CB 0.085 29.860 29.762 0.022 0.000 1.126 556 H HN 1.287 nan 8.280 nan 0.000 0.623 557 I N -0.022 120.197 120.570 -0.585 0.000 3.195 557 I HA 0.422 4.583 4.170 -0.014 0.000 0.313 557 I C -0.695 175.187 176.117 -0.392 0.000 1.237 557 I CA -1.292 59.822 61.300 -0.309 0.000 0.963 557 I CB 2.187 40.090 38.000 -0.163 0.000 1.278 557 I HN 0.614 nan 8.210 nan 0.000 0.460 558 N N 2.983 121.651 118.700 -0.052 0.000 2.444 558 N HA 0.516 5.247 4.740 -0.014 0.000 0.262 558 N C -2.228 173.367 175.510 0.142 0.000 0.974 558 N CA -2.529 50.546 53.050 0.042 0.000 0.933 558 N CB 1.590 40.127 38.487 0.083 0.000 1.137 558 N HN 0.336 nan 8.380 nan 0.000 0.498 559 P HA 0.056 nan 4.420 nan 0.000 0.239 559 P C -0.084 177.137 177.300 -0.131 0.000 1.184 559 P CA 0.942 64.030 63.100 -0.020 0.000 0.760 559 P CB 0.177 31.880 31.700 0.005 0.000 0.884 560 N N -1.184 117.497 118.700 -0.032 0.000 2.356 560 N HA 0.000 4.732 4.740 -0.014 0.000 0.178 560 N C 0.612 176.127 175.510 0.008 0.000 1.075 560 N CA -0.077 52.960 53.050 -0.023 0.000 0.889 560 N CB 0.096 38.595 38.487 0.019 0.000 0.999 560 N HN 0.122 nan 8.380 nan 0.000 0.464 561 S N 0.361 116.072 115.700 0.018 0.000 2.608 561 S HA 0.148 4.610 4.470 -0.014 0.000 0.261 561 S C 0.093 174.635 174.600 -0.097 0.000 1.314 561 S CA -0.755 57.453 58.200 0.014 0.000 0.992 561 S CB 0.848 64.087 63.200 0.064 0.000 0.935 561 S HN 0.158 nan 8.310 nan 0.000 0.564 562 L N 1.377 122.421 121.223 -0.298 0.000 2.360 562 L HA 0.375 4.706 4.340 -0.014 0.000 0.276 562 L C -0.818 176.021 176.870 -0.052 0.000 1.121 562 L CA -0.508 53.959 54.840 -0.621 0.000 0.845 562 L CB -0.021 41.439 42.059 -0.998 0.000 1.143 562 L HN 0.702 nan 8.230 nan 0.000 0.452 563 F N 4.028 123.832 119.950 -0.243 0.000 2.377 563 F HA 0.101 4.620 4.527 -0.013 0.000 0.360 563 F C 0.383 176.106 175.800 -0.128 0.000 1.147 563 F CA -0.822 57.105 58.000 -0.122 0.000 1.170 563 F CB 0.587 39.563 39.000 -0.040 0.000 1.339 563 F HN 0.498 nan 8.300 nan 0.000 0.552 564 D N 4.904 125.298 120.400 -0.010 0.000 2.428 564 D HA 0.217 4.848 4.640 -0.014 0.000 0.221 564 D C -0.989 175.243 176.300 -0.114 0.000 1.123 564 D CA 0.046 53.995 54.000 -0.086 0.000 0.869 564 D CB 1.279 42.018 40.800 -0.102 0.000 1.032 564 D HN 0.262 nan 8.370 nan 0.000 0.506 565 V N 2.839 122.675 119.914 -0.131 0.000 2.735 565 V HA 0.566 4.678 4.120 -0.014 0.000 0.310 565 V C -1.376 174.582 176.094 -0.227 0.000 1.061 565 V CA -0.678 61.530 62.300 -0.153 0.000 0.913 565 V CB 1.986 33.763 31.823 -0.076 0.000 1.005 565 V HN 0.498 nan 8.190 nan 0.000 0.428 566 Q N 4.298 123.970 119.800 -0.212 0.000 2.397 566 Q HA 0.636 4.968 4.340 -0.014 0.000 0.260 566 Q C -1.505 174.327 176.000 -0.280 0.000 1.002 566 Q CA -0.623 55.041 55.803 -0.232 0.000 0.716 566 Q CB 1.858 30.484 28.738 -0.187 0.000 1.258 566 Q HN 1.114 nan 8.270 nan 0.000 0.477 567 V N 2.160 121.893 119.914 -0.302 0.000 2.444 567 V HA 0.849 4.960 4.120 -0.014 0.000 0.294 567 V C -0.807 174.992 176.094 -0.492 0.000 1.022 567 V CA -0.564 61.348 62.300 -0.646 0.000 0.850 567 V CB 1.236 32.401 31.823 -1.097 0.000 0.992 567 V HN 0.765 nan 8.190 nan 0.000 0.426 568 K N 2.746 122.928 120.400 -0.362 0.000 2.931 568 K HA 0.420 4.731 4.320 -0.014 0.000 0.292 568 K C -1.235 175.377 176.600 0.020 0.000 1.077 568 K CA -1.028 55.239 56.287 -0.033 0.000 0.829 568 K CB 1.048 33.518 32.500 -0.051 0.000 1.488 568 K HN 0.466 nan 8.250 nan 0.000 0.358 569 R N 0.759 121.329 120.500 0.116 0.000 2.756 569 R HA 0.163 4.494 4.340 -0.014 0.000 0.264 569 R C 0.396 176.730 176.300 0.057 0.000 1.026 569 R CA -0.256 55.922 56.100 0.130 0.000 1.121 569 R CB -0.164 30.262 30.300 0.209 0.000 0.999 569 R HN 0.481 nan 8.270 nan 0.000 0.449 570 I N 4.172 124.752 120.570 0.017 0.000 2.396 570 I HA 0.126 4.288 4.170 -0.014 0.000 0.289 570 I C 0.821 176.832 176.117 -0.177 0.000 1.056 570 I CA 0.520 61.773 61.300 -0.077 0.000 1.365 570 I CB -0.076 37.870 38.000 -0.090 0.000 1.407 570 I HN 0.295 nan 8.210 nan 0.000 0.509 571 H N 4.121 123.093 119.070 -0.164 0.000 2.985 571 H HA 0.277 4.825 4.556 -0.014 0.000 0.360 571 H C 0.301 175.517 175.328 -0.187 0.000 1.221 571 H CA -0.477 55.513 56.048 -0.097 0.000 1.121 571 H CB 2.225 31.858 29.762 -0.214 0.000 1.854 571 H HN 0.506 nan 8.280 nan 0.000 0.551 572 E N 0.658 120.933 120.200 0.125 0.000 2.112 572 E HA -0.145 4.197 4.350 -0.014 0.000 0.190 572 E C 1.406 177.741 176.600 -0.441 0.000 0.979 572 E CA 0.907 57.298 56.400 -0.015 0.000 0.814 572 E CB 0.105 29.995 29.700 0.317 0.000 0.762 572 E HN 0.513 nan 8.360 nan 0.000 0.460 573 Y N 0.721 120.470 120.300 -0.917 0.000 2.439 573 Y HA 0.041 4.583 4.550 -0.014 0.000 0.292 573 Y C 1.516 177.160 175.900 -0.427 0.000 1.130 573 Y CA 0.600 58.029 58.100 -1.118 0.000 1.254 573 Y CB 0.082 37.919 38.460 -1.038 0.000 1.000 573 Y HN -0.221 nan 8.280 nan 0.000 0.554 574 K N 1.027 120.953 120.400 -0.791 0.000 2.366 574 K HA 0.023 4.335 4.320 -0.014 0.000 0.198 574 K C 0.248 176.670 176.600 -0.296 0.000 1.044 574 K CA 0.644 56.583 56.287 -0.579 0.000 0.973 574 K CB -0.144 32.039 32.500 -0.529 0.000 0.767 574 K HN 0.394 nan 8.250 nan 0.000 0.475 575 R N 0.771 121.126 120.500 -0.241 0.000 3.336 575 R HA -0.192 4.139 4.340 -0.014 0.000 0.260 575 R C 0.649 176.867 176.300 -0.137 0.000 1.032 575 R CA 0.238 56.249 56.100 -0.148 0.000 0.693 575 R CB -1.892 28.336 30.300 -0.120 0.000 1.134 575 R HN 0.214 nan 8.270 nan 0.000 0.433 576 Q N 0.149 119.867 119.800 -0.136 0.000 2.234 576 Q HA -0.061 4.271 4.340 -0.014 0.000 0.206 576 Q C 1.831 177.778 176.000 -0.089 0.000 0.980 576 Q CA 1.440 57.175 55.803 -0.112 0.000 0.869 576 Q CB 0.038 28.714 28.738 -0.103 0.000 0.912 576 Q HN 0.597 nan 8.270 nan 0.000 0.436 577 L N -0.643 120.530 121.223 -0.083 0.000 2.083 577 L HA -0.189 4.142 4.340 -0.014 0.000 0.209 577 L C 1.984 178.846 176.870 -0.014 0.000 1.083 577 L CA 0.589 55.394 54.840 -0.059 0.000 0.752 577 L CB -0.332 41.702 42.059 -0.041 0.000 0.899 577 L HN 0.321 nan 8.230 nan 0.000 0.433 578 L N 0.046 121.250 121.223 -0.032 0.000 2.046 578 L HA -0.245 4.087 4.340 -0.014 0.000 0.208 578 L C 2.016 178.895 176.870 0.015 0.000 1.077 578 L CA 1.943 56.767 54.840 -0.026 0.000 0.747 578 L CB -0.900 41.044 42.059 -0.191 0.000 0.896 578 L HN 0.291 nan 8.230 nan 0.000 0.432 579 N N -1.831 116.853 118.700 -0.027 0.000 2.166 579 N HA -0.229 4.503 4.740 -0.014 0.000 0.186 579 N C 1.964 177.549 175.510 0.125 0.000 1.019 579 N CA 1.475 54.588 53.050 0.104 0.000 0.856 579 N CB -0.118 38.378 38.487 0.015 0.000 0.993 579 N HN 0.485 nan 8.380 nan 0.000 0.426 580 C N 0.511 119.826 119.300 0.025 0.000 2.432 580 C HA -0.063 4.388 4.460 -0.014 0.000 0.277 580 C C 2.580 177.577 174.990 0.010 0.000 1.249 580 C CA 0.366 59.359 59.018 -0.042 0.000 1.725 580 C CB -1.213 26.449 27.740 -0.130 0.000 2.028 580 C HN 0.517 nan 8.230 nan 0.000 0.477 581 L N -0.214 121.071 121.223 0.105 0.000 2.042 581 L HA -0.226 4.106 4.340 -0.014 0.000 0.210 581 L C 2.732 179.772 176.870 0.284 0.000 1.076 581 L CA 1.964 56.923 54.840 0.199 0.000 0.749 581 L CB -1.131 41.120 42.059 0.320 0.000 0.893 581 L HN 0.614 nan 8.230 nan 0.000 0.432 582 H N -0.110 119.087 119.070 0.211 0.000 2.321 582 H HA -0.136 4.412 4.556 -0.014 0.000 0.300 582 H C 2.256 177.598 175.328 0.024 0.000 1.087 582 H CA 1.919 58.021 56.048 0.090 0.000 1.319 582 H CB 0.280 30.059 29.762 0.028 0.000 1.379 582 H HN 0.087 nan 8.280 nan 0.000 0.501 583 V N 1.563 121.427 119.914 -0.083 0.000 2.287 583 V HA -0.285 3.827 4.120 -0.014 0.000 0.248 583 V C 2.879 178.919 176.094 -0.090 0.000 1.053 583 V CA 1.990 64.194 62.300 -0.160 0.000 1.027 583 V CB -0.557 31.215 31.823 -0.084 0.000 0.646 583 V HN 0.384 nan 8.190 nan 0.000 0.447 584 I N -0.332 120.225 120.570 -0.022 0.000 2.226 584 I HA -0.249 3.912 4.170 -0.014 0.000 0.245 584 I C 2.529 178.728 176.117 0.138 0.000 1.100 584 I CA 1.847 63.208 61.300 0.103 0.000 1.374 584 I CB -0.615 37.435 38.000 0.083 0.000 1.057 584 I HN 0.336 nan 8.210 nan 0.000 0.413 585 T N 1.120 115.706 114.554 0.054 0.000 2.684 585 T HA -0.182 4.160 4.350 -0.014 0.000 0.267 585 T C 1.866 176.536 174.700 -0.049 0.000 1.036 585 T CA 1.277 63.395 62.100 0.032 0.000 1.148 585 T CB -0.299 68.604 68.868 0.059 0.000 0.863 585 T HN 0.073 nan 8.240 nan 0.000 0.436 586 L N 0.160 121.278 121.223 -0.175 0.000 2.013 586 L HA -0.084 4.248 4.340 -0.014 0.000 0.212 586 L C 2.075 178.916 176.870 -0.047 0.000 1.073 586 L CA 1.651 56.382 54.840 -0.181 0.000 0.753 586 L CB -1.150 40.732 42.059 -0.294 0.000 0.890 586 L HN 0.382 nan 8.230 nan 0.000 0.432 587 Y N 0.320 120.564 120.300 -0.093 0.000 2.097 587 Y HA -0.326 4.216 4.550 -0.014 0.000 0.282 587 Y C 2.493 178.377 175.900 -0.026 0.000 1.152 587 Y CA 1.982 60.066 58.100 -0.027 0.000 1.136 587 Y CB -0.132 38.363 38.460 0.059 0.000 0.975 587 Y HN 0.293 nan 8.280 nan 0.000 0.498 588 N N 0.446 119.137 118.700 -0.015 0.000 2.149 588 N HA -0.162 4.569 4.740 -0.014 0.000 0.188 588 N C 1.820 177.230 175.510 -0.167 0.000 1.019 588 N CA 1.657 54.622 53.050 -0.141 0.000 0.857 588 N CB -0.379 38.087 38.487 -0.036 0.000 0.997 588 N HN 0.457 nan 8.380 nan 0.000 0.426 589 R N 0.399 120.828 120.500 -0.119 0.000 2.075 589 R HA 0.064 4.395 4.340 -0.014 0.000 0.232 589 R C 2.272 178.491 176.300 -0.136 0.000 1.126 589 R CA 0.782 56.816 56.100 -0.111 0.000 0.963 589 R CB -0.312 29.934 30.300 -0.091 0.000 0.858 589 R HN 0.228 nan 8.270 nan 0.000 0.435 590 I N 1.030 121.501 120.570 -0.165 0.000 2.226 590 I HA -0.270 3.891 4.170 -0.014 0.000 0.245 590 I C 2.024 178.023 176.117 -0.196 0.000 1.100 590 I CA 1.220 62.420 61.300 -0.167 0.000 1.374 590 I CB -0.117 37.784 38.000 -0.164 0.000 1.057 590 I HN 0.031 nan 8.210 nan 0.000 0.413 591 K N 0.663 120.883 120.400 -0.300 0.000 2.283 591 K HA -0.174 4.138 4.320 -0.014 0.000 0.202 591 K C 1.952 178.446 176.600 -0.178 0.000 1.048 591 K CA 0.925 57.040 56.287 -0.287 0.000 0.948 591 K CB -0.172 32.065 32.500 -0.438 0.000 0.742 591 K HN 0.172 nan 8.250 nan 0.000 0.458 592 K N 1.760 122.068 120.400 -0.153 0.000 2.098 592 K HA -0.039 4.272 4.320 -0.014 0.000 0.203 592 K C 0.129 176.680 176.600 -0.081 0.000 1.051 592 K CA 1.118 57.341 56.287 -0.107 0.000 0.957 592 K CB 0.417 32.860 32.500 -0.096 0.000 0.738 592 K HN 0.030 nan 8.250 nan 0.000 0.447 593 E N 0.841 120.993 120.200 -0.080 0.000 3.037 593 E HA 0.179 4.521 4.350 -0.014 0.000 0.220 593 E C -2.344 174.221 176.600 -0.058 0.000 1.142 593 E CA -1.780 54.586 56.400 -0.057 0.000 0.888 593 E CB 1.528 31.202 29.700 -0.044 0.000 1.329 593 E HN 0.089 nan 8.360 nan 0.000 0.409 594 P HA -0.185 nan 4.420 nan 0.000 0.215 594 P C 0.333 177.615 177.300 -0.029 0.000 1.157 594 P CA 1.347 64.415 63.100 -0.053 0.000 0.874 594 P CB 0.134 31.806 31.700 -0.046 0.000 0.790 595 N N -1.006 117.686 118.700 -0.014 0.000 2.362 595 N HA 0.016 4.747 4.740 -0.014 0.000 0.211 595 N C 0.404 175.930 175.510 0.027 0.000 1.170 595 N CA 0.050 53.105 53.050 0.009 0.000 0.828 595 N CB -0.115 38.377 38.487 0.009 0.000 1.034 595 N HN 0.086 nan 8.380 nan 0.000 0.475 596 K N 1.048 121.458 120.400 0.016 0.000 2.159 596 K HA 0.176 4.488 4.320 -0.014 0.000 0.266 596 K C -0.998 175.641 176.600 0.066 0.000 0.975 596 K CA -0.637 55.675 56.287 0.041 0.000 0.865 596 K CB 0.767 33.271 32.500 0.008 0.000 1.087 596 K HN -0.039 nan 8.250 nan 0.000 0.446 597 F N 4.576 124.515 119.950 -0.019 0.000 2.443 597 F HA 0.263 4.781 4.527 -0.014 0.000 0.353 597 F C -0.482 175.306 175.800 -0.020 0.000 1.101 597 F CA -0.059 57.931 58.000 -0.017 0.000 1.226 597 F CB 0.717 39.709 39.000 -0.013 0.000 1.140 597 F HN 0.201 nan 8.300 nan 0.000 0.557 598 V N 3.738 122.993 119.914 -1.099 0.000 2.971 598 V HA 0.500 4.612 4.120 -0.014 0.000 0.309 598 V C -0.848 174.606 176.094 -1.067 0.000 1.130 598 V CA -1.263 60.575 62.300 -0.769 0.000 0.964 598 V CB 0.918 32.512 31.823 -0.381 0.000 1.029 598 V HN 0.588 nan 8.190 nan 0.000 0.427 599 V N 4.426 124.024 119.914 -0.527 0.000 2.493 599 V HA 0.196 4.307 4.120 -0.014 0.000 0.292 599 V C -1.806 174.138 176.094 -0.250 0.000 1.016 599 V CA -0.428 61.711 62.300 -0.268 0.000 1.097 599 V CB 0.367 32.157 31.823 -0.056 0.000 0.947 599 V HN 0.900 nan 8.190 nan 0.000 0.479 600 P HA 0.356 nan 4.420 nan 0.000 0.269 600 P C -0.427 176.797 177.300 -0.127 0.000 1.209 600 P CA -0.101 62.921 63.100 -0.130 0.000 0.776 600 P CB 0.571 32.241 31.700 -0.050 0.000 0.876 601 R N 0.595 121.032 120.500 -0.105 0.000 2.698 601 R HA 0.608 4.940 4.340 -0.014 0.000 0.275 601 R C -0.930 175.343 176.300 -0.046 0.000 1.001 601 R CA -0.595 55.445 56.100 -0.100 0.000 0.896 601 R CB 1.988 32.210 30.300 -0.130 0.000 1.218 601 R HN 0.274 nan 8.270 nan 0.000 0.462 602 T N 1.920 116.467 114.554 -0.013 0.000 2.864 602 T HA 0.218 4.560 4.350 -0.014 0.000 0.310 602 T C -0.890 173.737 174.700 -0.122 0.000 1.040 602 T CA -0.551 61.508 62.100 -0.068 0.000 0.977 602 T CB 1.124 69.923 68.868 -0.115 0.000 0.976 602 T HN 0.349 nan 8.240 nan 0.000 0.459 603 V N 5.006 124.851 119.914 -0.114 0.000 2.383 603 V HA 0.690 4.801 4.120 -0.014 0.000 0.275 603 V C -0.516 175.495 176.094 -0.138 0.000 1.036 603 V CA -0.605 61.627 62.300 -0.113 0.000 0.889 603 V CB 0.714 32.492 31.823 -0.075 0.000 0.985 603 V HN 0.865 nan 8.190 nan 0.000 0.459 604 M N 7.553 127.054 119.600 -0.165 0.000 2.167 604 M HA 0.586 5.058 4.480 -0.014 0.000 0.333 604 M C -0.943 175.237 176.300 -0.199 0.000 1.030 604 M CA -0.199 54.991 55.300 -0.182 0.000 0.963 604 M CB 1.883 34.361 32.600 -0.204 0.000 1.589 604 M HN 0.530 nan 8.290 nan 0.000 0.431 605 I N 2.297 122.741 120.570 -0.210 0.000 2.406 605 I HA 0.779 4.940 4.170 -0.014 0.000 0.290 605 I C 0.178 175.980 176.117 -0.526 0.000 0.999 605 I CA -0.583 60.570 61.300 -0.244 0.000 1.124 605 I CB 2.031 39.981 38.000 -0.083 0.000 1.289 605 I HN 0.794 nan 8.210 nan 0.000 0.441 606 G N 3.243 111.690 108.800 -0.589 0.000 2.696 606 G HA2 0.824 4.776 3.960 -0.014 0.000 0.295 606 G HA3 0.824 4.776 3.960 -0.014 0.000 0.295 606 G C -1.001 173.587 174.900 -0.519 0.000 1.398 606 G CA -0.772 43.819 45.100 -0.849 0.000 0.920 606 G HN 0.945 nan 8.290 nan 0.000 0.492 607 G N -0.321 108.311 108.800 -0.280 0.000 2.340 607 G HA2 0.449 4.400 3.960 -0.014 0.000 0.300 607 G HA3 0.449 4.400 3.960 -0.014 0.000 0.300 607 G C -1.554 173.459 174.900 0.188 0.000 1.488 607 G CA -0.993 44.121 45.100 0.023 0.000 0.878 607 G HN 0.596 nan 8.290 nan 0.000 0.618 608 K N -0.270 120.239 120.400 0.182 0.000 2.123 608 K HA 0.761 5.073 4.320 -0.014 0.000 0.259 608 K C 0.105 176.824 176.600 0.199 0.000 0.960 608 K CA -0.267 56.143 56.287 0.205 0.000 0.872 608 K CB 1.971 34.494 32.500 0.038 0.000 1.079 608 K HN 0.861 nan 8.250 nan 0.000 0.440 609 A N 1.683 124.659 122.820 0.259 0.000 2.317 609 A HA 0.659 4.971 4.320 -0.014 0.000 0.327 609 A C -0.523 177.222 177.584 0.270 0.000 1.178 609 A CA -0.721 51.406 52.037 0.149 0.000 0.817 609 A CB 1.077 20.096 19.000 0.032 0.000 1.189 609 A HN 0.786 nan 8.150 nan 0.000 0.489 610 A N 3.849 126.802 122.820 0.222 0.000 2.540 610 A HA 0.465 4.777 4.320 -0.014 0.000 0.239 610 A C -1.329 176.327 177.584 0.120 0.000 1.061 610 A CA -0.753 51.423 52.037 0.232 0.000 0.758 610 A CB -0.353 18.746 19.000 0.165 0.000 0.991 610 A HN 0.608 nan 8.150 nan 0.000 0.502 611 P HA -0.164 nan 4.420 nan 0.000 0.217 611 P C 1.374 178.659 177.300 -0.024 0.000 1.151 611 P CA 2.072 65.109 63.100 -0.105 0.000 0.849 611 P CB 0.168 31.748 31.700 -0.200 0.000 0.787 612 G N -3.049 105.757 108.800 0.011 0.000 3.042 612 G HA2 -0.113 3.838 3.960 -0.014 0.000 0.212 612 G HA3 -0.113 3.838 3.960 -0.014 0.000 0.212 612 G C -0.004 174.932 174.900 0.059 0.000 1.166 612 G CA -0.170 44.941 45.100 0.017 0.000 0.767 612 G HN 0.310 nan 8.290 nan 0.000 0.546 613 Y N 1.978 122.214 120.300 -0.106 0.000 2.594 613 Y HA 0.123 4.664 4.550 -0.014 0.000 0.344 613 Y C 1.760 177.643 175.900 -0.029 0.000 1.185 613 Y CA -0.949 57.075 58.100 -0.127 0.000 1.565 613 Y CB 0.006 38.349 38.460 -0.194 0.000 1.415 613 Y HN 0.313 nan 8.280 nan 0.000 0.488 614 H N 3.768 122.948 119.070 0.182 0.000 2.289 614 H HA -0.240 4.308 4.556 -0.014 0.000 0.296 614 H C 1.855 177.204 175.328 0.036 0.000 1.091 614 H CA 2.309 58.408 56.048 0.086 0.000 1.274 614 H CB 0.356 30.165 29.762 0.078 0.000 1.364 614 H HN 0.690 nan 8.280 nan 0.000 0.490 615 M N 1.158 120.723 119.600 -0.059 0.000 2.065 615 M HA -0.110 4.362 4.480 -0.014 0.000 0.259 615 M C 2.659 178.705 176.300 -0.424 0.000 1.069 615 M CA 2.003 57.181 55.300 -0.205 0.000 1.110 615 M CB -1.054 31.571 32.600 0.041 0.000 1.328 615 M HN 0.357 nan 8.290 nan 0.000 0.405 616 A N -0.450 121.855 122.820 -0.859 0.000 1.948 616 A HA -0.234 4.078 4.320 -0.014 0.000 0.220 616 A C 2.203 179.568 177.584 -0.365 0.000 1.177 616 A CA 2.101 53.671 52.037 -0.779 0.000 0.636 616 A CB -0.750 17.558 19.000 -1.154 0.000 0.815 616 A HN 0.624 nan 8.150 nan 0.000 0.449 617 K N -1.416 118.830 120.400 -0.257 0.000 2.288 617 K HA 0.018 4.330 4.320 -0.014 0.000 0.201 617 K C 1.808 178.372 176.600 -0.060 0.000 1.048 617 K CA 0.915 57.149 56.287 -0.089 0.000 0.956 617 K CB -0.145 32.364 32.500 0.014 0.000 0.746 617 K HN 0.331 nan 8.250 nan 0.000 0.461 618 M N 0.494 120.002 119.600 -0.154 0.000 2.200 618 M HA -0.030 4.442 4.480 -0.014 0.000 0.265 618 M C 2.011 178.258 176.300 -0.089 0.000 1.066 618 M CA 1.330 56.580 55.300 -0.084 0.000 1.127 618 M CB -0.435 32.069 32.600 -0.160 0.000 1.379 618 M HN 0.098 nan 8.290 nan 0.000 0.420 619 I N -0.479 119.995 120.570 -0.160 0.000 2.315 619 I HA -0.284 3.878 4.170 -0.014 0.000 0.248 619 I C 2.238 178.223 176.117 -0.220 0.000 1.117 619 I CA 0.916 62.109 61.300 -0.178 0.000 1.404 619 I CB -0.254 37.637 38.000 -0.182 0.000 1.071 619 I HN 0.165 nan 8.210 nan 0.000 0.419 620 I N 0.691 121.110 120.570 -0.251 0.000 2.226 620 I HA -0.292 3.869 4.170 -0.014 0.000 0.245 620 I C 2.568 178.385 176.117 -0.500 0.000 1.100 620 I CA 1.189 62.239 61.300 -0.416 0.000 1.374 620 I CB -0.222 37.528 38.000 -0.416 0.000 1.057 620 I HN 0.151 nan 8.210 nan 0.000 0.413 621 K N 1.426 121.557 120.400 -0.448 0.000 2.097 621 K HA -0.128 4.183 4.320 -0.014 0.000 0.205 621 K C 1.991 178.422 176.600 -0.282 0.000 1.050 621 K CA 1.387 57.319 56.287 -0.591 0.000 0.938 621 K CB -0.504 31.377 32.500 -1.032 0.000 0.718 621 K HN 0.225 nan 8.250 nan 0.000 0.442 622 L N 0.372 121.469 121.223 -0.209 0.000 1.994 622 L HA -0.155 4.177 4.340 -0.014 0.000 0.208 622 L C 2.162 178.785 176.870 -0.412 0.000 1.071 622 L CA 1.718 56.275 54.840 -0.471 0.000 0.745 622 L CB -0.347 41.368 42.059 -0.573 0.000 0.892 622 L HN 0.237 nan 8.230 nan 0.000 0.431 623 I N 0.026 120.403 120.570 -0.322 0.000 2.118 623 I HA -0.374 3.788 4.170 -0.014 0.000 0.241 623 I C 2.620 178.610 176.117 -0.212 0.000 1.070 623 I CA 2.098 63.258 61.300 -0.232 0.000 1.327 623 I CB -0.748 37.193 38.000 -0.099 0.000 1.034 623 I HN 0.445 nan 8.210 nan 0.000 0.405 624 T N -0.785 113.612 114.554 -0.262 0.000 2.867 624 T HA -0.073 4.269 4.350 -0.014 0.000 0.268 624 T C 1.967 176.578 174.700 -0.149 0.000 1.057 624 T CA 0.937 62.917 62.100 -0.201 0.000 1.136 624 T CB -0.485 68.218 68.868 -0.276 0.000 0.874 624 T HN 0.368 nan 8.240 nan 0.000 0.466 625 A N 1.613 124.336 122.820 -0.162 0.000 1.902 625 A HA 0.112 4.423 4.320 -0.014 0.000 0.217 625 A C 2.362 179.916 177.584 -0.049 0.000 1.181 625 A CA 1.375 53.378 52.037 -0.056 0.000 0.623 625 A CB -0.847 18.178 19.000 0.042 0.000 0.818 625 A HN 0.569 nan 8.150 nan 0.000 0.443 626 I N -0.210 120.224 120.570 -0.227 0.000 2.179 626 I HA -0.210 3.951 4.170 -0.014 0.000 0.242 626 I C 2.705 178.756 176.117 -0.111 0.000 1.088 626 I CA 1.258 62.409 61.300 -0.248 0.000 1.357 626 I CB -0.579 37.172 38.000 -0.415 0.000 1.051 626 I HN 0.385 nan 8.210 nan 0.000 0.409 627 G N 0.148 108.878 108.800 -0.118 0.000 2.450 627 G HA2 -0.252 3.699 3.960 -0.014 0.000 0.220 627 G HA3 -0.252 3.699 3.960 -0.014 0.000 0.220 627 G C 1.270 176.116 174.900 -0.090 0.000 1.130 627 G CA 0.954 45.992 45.100 -0.105 0.000 0.760 627 G HN 0.288 nan 8.290 nan 0.000 0.557 628 D N 0.087 120.479 120.400 -0.014 0.000 2.117 628 D HA -0.081 4.551 4.640 -0.014 0.000 0.197 628 D C 2.745 179.116 176.300 0.118 0.000 0.987 628 D CA 0.724 54.786 54.000 0.103 0.000 0.829 628 D CB -0.273 40.572 40.800 0.074 0.000 0.961 628 D HN 0.235 nan 8.370 nan 0.000 0.460 629 V N 0.388 120.303 119.914 0.001 0.000 2.273 629 V HA -0.161 3.950 4.120 -0.014 0.000 0.242 629 V C 2.661 178.683 176.094 -0.120 0.000 1.035 629 V CA 0.890 63.135 62.300 -0.092 0.000 1.013 629 V CB -0.475 31.213 31.823 -0.224 0.000 0.652 629 V HN 0.022 nan 8.190 nan 0.000 0.452 630 V N 1.006 120.787 119.914 -0.221 0.000 2.287 630 V HA -0.247 3.865 4.120 -0.014 0.000 0.248 630 V C 2.143 178.183 176.094 -0.090 0.000 1.053 630 V CA 2.185 64.374 62.300 -0.186 0.000 1.027 630 V CB -0.929 30.782 31.823 -0.187 0.000 0.646 630 V HN 0.579 nan 8.190 nan 0.000 0.447 631 N N -0.496 118.072 118.700 -0.220 0.000 2.550 631 N HA -0.082 4.650 4.740 -0.014 0.000 0.186 631 N C 1.114 176.323 175.510 -0.501 0.000 1.110 631 N CA 0.884 53.714 53.050 -0.366 0.000 0.912 631 N CB -0.284 37.904 38.487 -0.499 0.000 0.968 631 N HN 0.710 nan 8.380 nan 0.000 0.448 632 H N -1.690 117.392 119.070 0.021 0.000 2.785 632 H HA 0.208 4.756 4.556 -0.014 0.000 0.268 632 H C -0.596 174.758 175.328 0.043 0.000 1.153 632 H CA -0.506 55.556 56.048 0.023 0.000 1.111 632 H CB 0.726 30.490 29.762 0.002 0.000 1.633 632 H HN -0.037 nan 8.280 nan 0.000 0.576 633 D N 1.705 122.186 120.400 0.135 0.000 2.313 633 D HA 0.057 4.688 4.640 -0.014 0.000 0.239 633 D C -1.646 174.719 176.300 0.108 0.000 1.142 633 D CA -2.099 51.995 54.000 0.156 0.000 0.847 633 D CB 1.766 42.734 40.800 0.279 0.000 1.082 633 D HN 0.110 nan 8.370 nan 0.000 0.480 634 P HA -0.110 nan 4.420 nan 0.000 0.218 634 P C 1.576 178.902 177.300 0.042 0.000 1.149 634 P CA 0.344 63.479 63.100 0.058 0.000 0.817 634 P CB 0.451 32.180 31.700 0.048 0.000 0.785 635 V N -0.534 119.402 119.914 0.037 0.000 2.515 635 V HA -0.164 3.948 4.120 -0.014 0.000 0.250 635 V C 2.427 178.524 176.094 0.005 0.000 1.058 635 V CA 1.483 63.789 62.300 0.010 0.000 1.064 635 V CB -0.983 30.831 31.823 -0.014 0.000 0.675 635 V HN -0.019 nan 8.190 nan 0.000 0.461 636 V N -0.169 119.763 119.914 0.031 0.000 2.427 636 V HA 0.079 4.191 4.120 -0.014 0.000 0.248 636 V C 1.787 177.893 176.094 0.020 0.000 1.051 636 V CA 1.450 63.768 62.300 0.031 0.000 1.048 636 V CB -1.241 30.645 31.823 0.104 0.000 0.666 636 V HN 0.737 nan 8.190 nan 0.000 0.456 637 G N 1.503 110.322 108.800 0.031 0.000 2.574 637 G HA2 -0.407 3.544 3.960 -0.014 0.000 0.286 637 G HA3 -0.407 3.544 3.960 -0.014 0.000 0.286 637 G C 0.258 175.175 174.900 0.029 0.000 1.212 637 G CA 0.609 45.727 45.100 0.030 0.000 0.979 637 G HN 0.735 nan 8.290 nan 0.000 0.557 638 D N -0.210 120.209 120.400 0.031 0.000 2.358 638 D HA 0.322 4.954 4.640 -0.014 0.000 0.224 638 D C 1.869 178.176 176.300 0.011 0.000 1.123 638 D CA 0.230 54.251 54.000 0.036 0.000 0.833 638 D CB 0.134 40.971 40.800 0.063 0.000 0.946 638 D HN 0.569 nan 8.370 nan 0.000 0.505 639 R N -0.607 119.885 120.500 -0.013 0.000 2.193 639 R HA 0.256 4.587 4.340 -0.014 0.000 0.213 639 R C -0.173 176.092 176.300 -0.058 0.000 1.055 639 R CA 0.349 56.415 56.100 -0.057 0.000 0.995 639 R CB 0.157 30.401 30.300 -0.093 0.000 0.893 639 R HN 0.173 nan 8.270 nan 0.000 0.459 640 L N 0.749 121.956 121.223 -0.028 0.000 2.528 640 L HA 0.377 4.708 4.340 -0.014 0.000 0.267 640 L C -1.596 175.258 176.870 -0.026 0.000 0.961 640 L CA -0.513 54.309 54.840 -0.029 0.000 0.866 640 L CB 1.650 43.704 42.059 -0.009 0.000 1.248 640 L HN -0.126 nan 8.230 nan 0.000 0.404 641 R N 4.209 124.681 120.500 -0.047 0.000 2.561 641 R HA 0.730 5.062 4.340 -0.014 0.000 0.297 641 R C -1.475 174.775 176.300 -0.083 0.000 0.969 641 R CA -0.831 55.230 56.100 -0.066 0.000 0.879 641 R CB 2.335 32.597 30.300 -0.062 0.000 1.178 641 R HN 0.383 nan 8.270 nan 0.000 0.445 642 V N 5.050 124.909 119.914 -0.092 0.000 2.334 642 V HA 0.450 4.561 4.120 -0.014 0.000 0.281 642 V C -0.094 175.955 176.094 -0.075 0.000 1.016 642 V CA -0.614 61.633 62.300 -0.089 0.000 0.832 642 V CB 1.410 33.174 31.823 -0.098 0.000 0.999 642 V HN 0.575 nan 8.190 nan 0.000 0.439 643 I N 4.771 125.296 120.570 -0.075 0.000 2.465 643 I HA 0.447 4.609 4.170 -0.014 0.000 0.291 643 I C -0.765 175.334 176.117 -0.029 0.000 1.014 643 I CA -0.418 60.849 61.300 -0.054 0.000 1.093 643 I CB 2.037 39.981 38.000 -0.095 0.000 1.267 643 I HN 0.567 nan 8.210 nan 0.000 0.431 644 F N 7.627 127.507 119.950 -0.118 0.000 2.371 644 F HA 0.437 4.956 4.527 -0.014 0.000 0.363 644 F C -0.651 175.075 175.800 -0.124 0.000 1.122 644 F CA -0.765 57.164 58.000 -0.117 0.000 1.129 644 F CB 0.573 39.508 39.000 -0.108 0.000 1.173 644 F HN 0.142 nan 8.300 nan 0.000 0.489 645 L N 5.903 126.728 121.223 -0.664 0.000 2.456 645 L HA 0.115 4.446 4.340 -0.014 0.000 0.277 645 L C 0.402 176.949 176.870 -0.540 0.000 1.124 645 L CA 0.270 54.817 54.840 -0.487 0.000 0.880 645 L CB -0.073 41.783 42.059 -0.338 0.000 1.192 645 L HN 0.621 nan 8.230 nan 0.000 0.463 646 E N 3.093 123.101 120.200 -0.320 0.000 2.373 646 E HA -0.018 4.323 4.350 -0.014 0.000 0.267 646 E C 0.508 177.126 176.600 0.030 0.000 1.032 646 E CA -0.244 56.114 56.400 -0.070 0.000 0.889 646 E CB 0.315 29.975 29.700 -0.067 0.000 0.984 646 E HN 0.523 nan 8.360 nan 0.000 0.425 647 N N 2.420 121.211 118.700 0.152 0.000 2.705 647 N HA -0.287 4.445 4.740 -0.014 0.000 0.255 647 N C -1.483 174.113 175.510 0.144 0.000 1.008 647 N CA 0.517 53.665 53.050 0.164 0.000 0.742 647 N CB -1.341 37.269 38.487 0.205 0.000 0.906 647 N HN 0.428 nan 8.380 nan 0.000 0.541 648 Y N 1.427 121.713 120.300 -0.022 0.000 2.721 648 Y HA 0.143 4.684 4.550 -0.014 0.000 0.329 648 Y C 1.113 177.019 175.900 0.009 0.000 1.211 648 Y CA 0.473 58.549 58.100 -0.040 0.000 1.512 648 Y CB 0.307 38.712 38.460 -0.092 0.000 1.249 648 Y HN 0.380 nan 8.280 nan 0.000 0.549 649 R N 2.533 122.735 120.500 -0.498 0.000 2.762 649 R HA 0.470 4.801 4.340 -0.014 0.000 0.271 649 R C -0.220 175.750 176.300 -0.550 0.000 1.038 649 R CA -0.635 55.213 56.100 -0.421 0.000 0.906 649 R CB 0.362 30.610 30.300 -0.087 0.000 1.259 649 R HN 0.361 nan 8.270 nan 0.000 0.457 650 V N 1.129 120.741 119.914 -0.503 0.000 2.231 650 V HA -0.335 3.776 4.120 -0.014 0.000 0.250 650 V C 2.601 178.570 176.094 -0.208 0.000 1.058 650 V CA 3.024 65.099 62.300 -0.374 0.000 1.022 650 V CB -0.896 30.668 31.823 -0.432 0.000 0.640 650 V HN 0.965 nan 8.190 nan 0.000 0.445 651 S N 0.051 115.651 115.700 -0.166 0.000 2.400 651 S HA -0.216 4.245 4.470 -0.014 0.000 0.232 651 S C 1.922 176.475 174.600 -0.078 0.000 1.025 651 S CA 1.891 60.026 58.200 -0.109 0.000 0.993 651 S CB -0.592 62.576 63.200 -0.054 0.000 0.808 651 S HN 0.394 nan 8.310 nan 0.000 0.478 652 L N 1.978 123.158 121.223 -0.071 0.000 2.109 652 L HA 0.349 4.680 4.340 -0.014 0.000 0.207 652 L C 2.659 179.522 176.870 -0.013 0.000 1.086 652 L CA 1.379 56.212 54.840 -0.012 0.000 0.760 652 L CB -1.426 40.680 42.059 0.078 0.000 0.910 652 L HN 0.344 nan 8.230 nan 0.000 0.437 653 A N -0.588 122.198 122.820 -0.056 0.000 1.908 653 A HA -0.232 4.080 4.320 -0.014 0.000 0.218 653 A C 2.097 179.716 177.584 0.058 0.000 1.181 653 A CA 1.784 53.857 52.037 0.061 0.000 0.627 653 A CB -0.644 18.356 19.000 -0.000 0.000 0.818 653 A HN 0.604 nan 8.150 nan 0.000 0.445 654 E N -0.538 119.691 120.200 0.047 0.000 2.401 654 E HA -0.155 4.186 4.350 -0.014 0.000 0.199 654 E C 1.740 178.301 176.600 -0.065 0.000 1.023 654 E CA 1.064 57.462 56.400 -0.004 0.000 0.859 654 E CB -0.042 29.575 29.700 -0.140 0.000 0.780 654 E HN 0.627 nan 8.360 nan 0.000 0.523 655 K N -0.208 120.128 120.400 -0.107 0.000 2.214 655 K HA -0.007 4.304 4.320 -0.014 0.000 0.201 655 K C 2.144 178.526 176.600 -0.362 0.000 1.049 655 K CA 0.714 56.914 56.287 -0.145 0.000 0.978 655 K CB 0.465 32.879 32.500 -0.144 0.000 0.842 655 K HN -0.016 nan 8.250 nan 0.000 0.474 656 V N 0.651 120.257 119.914 -0.512 0.000 2.346 656 V HA -0.144 3.968 4.120 -0.014 0.000 0.244 656 V C 2.179 178.009 176.094 -0.441 0.000 1.037 656 V CA 1.123 62.937 62.300 -0.810 0.000 1.029 656 V CB -0.776 30.690 31.823 -0.595 0.000 0.663 656 V HN 0.162 nan 8.190 nan 0.000 0.454 657 I N 1.089 121.432 120.570 -0.379 0.000 2.113 657 I HA -0.195 3.966 4.170 -0.014 0.000 0.242 657 I C -0.053 175.919 176.117 -0.241 0.000 1.064 657 I CA 2.110 63.104 61.300 -0.511 0.000 1.320 657 I CB -1.794 35.814 38.000 -0.654 0.000 1.028 657 I HN 0.364 nan 8.210 nan 0.000 0.406 658 P HA -0.100 nan 4.420 nan 0.000 0.225 658 P C 0.788 178.080 177.300 -0.013 0.000 1.148 658 P CA 1.277 64.344 63.100 -0.054 0.000 0.779 658 P CB 0.025 31.706 31.700 -0.033 0.000 0.780 659 A N -1.414 121.383 122.820 -0.040 0.000 2.387 659 A HA 0.555 4.867 4.320 -0.014 0.000 0.234 659 A C 1.012 178.712 177.584 0.194 0.000 1.253 659 A CA -0.069 52.012 52.037 0.072 0.000 0.894 659 A CB -0.504 18.554 19.000 0.096 0.000 0.963 659 A HN 0.180 nan 8.150 nan 0.000 0.508 660 A N -0.299 122.615 122.820 0.157 0.000 2.327 660 A HA 0.531 4.843 4.320 -0.014 0.000 0.283 660 A C 0.294 178.030 177.584 0.252 0.000 1.127 660 A CA -0.298 51.899 52.037 0.266 0.000 0.810 660 A CB 0.462 19.719 19.000 0.428 0.000 1.066 660 A HN 0.238 nan 8.150 nan 0.000 0.492 661 D N 0.546 121.089 120.400 0.238 0.000 2.490 661 D HA 0.125 4.757 4.640 -0.014 0.000 0.244 661 D C 0.037 176.515 176.300 0.296 0.000 0.979 661 D CA 0.756 54.925 54.000 0.282 0.000 0.924 661 D CB 0.265 41.138 40.800 0.122 0.000 1.075 661 D HN 0.363 nan 8.370 nan 0.000 0.488 662 L N 1.271 122.563 121.223 0.116 0.000 2.333 662 L HA 0.293 4.624 4.340 -0.014 0.000 0.280 662 L C -0.653 176.086 176.870 -0.218 0.000 1.004 662 L CA -0.287 54.544 54.840 -0.016 0.000 0.820 662 L CB 1.960 43.977 42.059 -0.070 0.000 1.247 662 L HN -0.137 nan 8.230 nan 0.000 0.416 663 S N 4.500 119.976 115.700 -0.373 0.000 2.442 663 S HA 0.371 4.833 4.470 -0.014 0.000 0.297 663 S C -0.483 173.818 174.600 -0.499 0.000 1.131 663 S CA -0.680 57.032 58.200 -0.814 0.000 1.092 663 S CB 0.933 63.541 63.200 -0.987 0.000 0.998 663 S HN 0.578 nan 8.310 nan 0.000 0.478 664 E N 3.932 123.853 120.200 -0.465 0.000 2.081 664 E HA 0.245 4.587 4.350 -0.014 0.000 0.276 664 E C -0.626 175.856 176.600 -0.196 0.000 0.950 664 E CA -0.530 55.733 56.400 -0.230 0.000 0.776 664 E CB 1.212 30.814 29.700 -0.164 0.000 1.094 664 E HN 0.618 nan 8.360 nan 0.000 0.402 665 Q N 2.899 122.641 119.800 -0.097 0.000 3.122 665 Q HA 0.256 4.588 4.340 -0.014 0.000 0.282 665 Q C 0.562 176.551 176.000 -0.018 0.000 0.947 665 Q CA -0.127 55.634 55.803 -0.070 0.000 0.812 665 Q CB 0.311 29.018 28.738 -0.051 0.000 1.333 665 Q HN 0.627 nan 8.270 nan 0.000 0.430 666 I N -1.327 119.225 120.570 -0.031 0.000 3.626 666 I HA 0.277 4.438 4.170 -0.014 0.000 0.345 666 I C 0.205 176.275 176.117 -0.078 0.000 1.502 666 I CA -0.537 60.757 61.300 -0.011 0.000 1.135 666 I CB 0.110 38.117 38.000 0.012 0.000 1.456 666 I HN -0.025 nan 8.210 nan 0.000 0.460 667 S N 0.487 116.140 115.700 -0.080 0.000 2.614 667 S HA 0.277 4.739 4.470 -0.014 0.000 0.265 667 S C 0.515 175.100 174.600 -0.025 0.000 1.303 667 S CA -0.373 57.795 58.200 -0.052 0.000 1.000 667 S CB 0.765 63.981 63.200 0.026 0.000 0.935 667 S HN 0.411 nan 8.310 nan 0.000 0.551 668 T N 2.458 117.033 114.554 0.036 0.000 2.853 668 T HA 0.421 4.763 4.350 -0.014 0.000 0.298 668 T C 0.693 175.408 174.700 0.025 0.000 0.978 668 T CA 0.146 62.274 62.100 0.046 0.000 1.152 668 T CB 0.030 68.997 68.868 0.166 0.000 0.914 668 T HN 0.976 nan 8.240 nan 0.000 0.539 669 A N 2.924 125.727 122.820 -0.029 0.000 2.591 669 A HA 0.413 4.725 4.320 -0.014 0.000 0.244 669 A C 1.668 179.247 177.584 -0.008 0.000 1.031 669 A CA 0.425 52.441 52.037 -0.035 0.000 0.767 669 A CB -0.934 18.033 19.000 -0.055 0.000 0.942 669 A HN 1.678 nan 8.150 nan 0.000 0.514 670 G N 1.414 110.209 108.800 -0.009 0.000 2.176 670 G HA2 -0.253 3.699 3.960 -0.014 0.000 0.232 670 G HA3 -0.253 3.699 3.960 -0.014 0.000 0.232 670 G C 0.987 175.879 174.900 -0.014 0.000 0.986 670 G CA 1.116 46.212 45.100 -0.006 0.000 0.643 670 G HN 2.053 nan 8.290 nan 0.000 0.522 671 T N -2.226 112.321 114.554 -0.013 0.000 3.034 671 T HA 0.384 4.725 4.350 -0.014 0.000 0.248 671 T C 0.810 175.375 174.700 -0.225 0.000 1.040 671 T CA 1.177 63.208 62.100 -0.115 0.000 1.107 671 T CB 0.484 69.325 68.868 -0.045 0.000 0.932 671 T HN 0.301 nan 8.240 nan 0.000 0.474 672 E N 1.433 121.625 120.200 -0.013 0.000 2.001 672 E HA 0.658 5.000 4.350 -0.014 0.000 0.279 672 E C 1.224 177.785 176.600 -0.064 0.000 1.045 672 E CA 0.085 56.518 56.400 0.055 0.000 0.833 672 E CB 0.682 30.467 29.700 0.143 0.000 1.077 672 E HN 0.336 nan 8.360 nan 0.000 0.397 673 A N 3.479 126.187 122.820 -0.186 0.000 1.915 673 A HA -0.283 4.028 4.320 -0.014 0.000 0.220 673 A C 1.973 179.436 177.584 -0.201 0.000 1.198 673 A CA 2.549 54.344 52.037 -0.402 0.000 0.647 673 A CB -0.333 18.284 19.000 -0.639 0.000 0.825 673 A HN 0.644 nan 8.150 nan 0.000 0.456 674 S N -4.497 111.147 115.700 -0.093 0.000 4.257 674 S HA 0.439 4.900 4.470 -0.014 0.000 0.208 674 S C 0.687 175.276 174.600 -0.018 0.000 1.152 674 S CA 1.342 59.527 58.200 -0.025 0.000 1.110 674 S CB -0.261 62.946 63.200 0.011 0.000 1.434 674 S HN 2.403 nan 8.310 nan 0.000 0.509 675 G N 0.259 109.053 108.800 -0.009 0.000 2.705 675 G HA2 0.014 3.966 3.960 -0.014 0.000 0.686 675 G HA3 0.014 3.966 3.960 -0.014 0.000 0.686 675 G C 0.230 175.107 174.900 -0.037 0.000 1.285 675 G CA 0.427 45.518 45.100 -0.016 0.000 0.800 675 G HN 1.434 nan 8.290 nan 0.000 0.611 676 T N -2.084 112.434 114.554 -0.060 0.000 3.051 676 T HA 0.376 4.718 4.350 -0.014 0.000 0.254 676 T C 2.356 176.954 174.700 -0.171 0.000 0.916 676 T CA 1.243 63.278 62.100 -0.108 0.000 0.894 676 T CB 0.244 69.044 68.868 -0.113 0.000 1.251 676 T HN 1.889 nan 8.240 nan 0.000 0.517 677 G N 3.221 111.948 108.800 -0.122 0.000 2.440 677 G HA2 -0.272 3.680 3.960 -0.014 0.000 0.218 677 G HA3 -0.272 3.680 3.960 -0.014 0.000 0.218 677 G C 1.453 176.398 174.900 0.074 0.000 1.154 677 G CA 1.231 46.279 45.100 -0.086 0.000 0.767 677 G HN 0.818 nan 8.290 nan 0.000 0.552 678 N N 0.340 119.065 118.700 0.042 0.000 2.061 678 N HA -0.200 4.532 4.740 -0.014 0.000 0.193 678 N C 2.247 177.763 175.510 0.009 0.000 1.030 678 N CA 1.585 54.660 53.050 0.041 0.000 0.856 678 N CB -0.414 38.049 38.487 -0.040 0.000 1.023 678 N HN 0.355 nan 8.380 nan 0.000 0.424 679 M N 0.804 120.337 119.600 -0.112 0.000 2.159 679 M HA -0.060 4.411 4.480 -0.014 0.000 0.263 679 M C 2.091 178.342 176.300 -0.081 0.000 1.063 679 M CA 1.535 56.750 55.300 -0.142 0.000 1.110 679 M CB -0.196 32.312 32.600 -0.153 0.000 1.374 679 M HN 0.114 nan 8.290 nan 0.000 0.411 680 K N 0.102 120.390 120.400 -0.188 0.000 2.063 680 K HA -0.133 4.179 4.320 -0.014 0.000 0.208 680 K C 1.698 178.196 176.600 -0.171 0.000 1.048 680 K CA 1.499 57.611 56.287 -0.293 0.000 0.928 680 K CB -0.279 31.829 32.500 -0.652 0.000 0.713 680 K HN 0.164 nan 8.250 nan 0.000 0.442 681 F N 0.876 120.752 119.950 -0.124 0.000 2.146 681 F HA -0.117 4.402 4.527 -0.015 0.000 0.298 681 F C 2.541 178.311 175.800 -0.050 0.000 1.096 681 F CA 1.133 59.085 58.000 -0.080 0.000 1.275 681 F CB -0.263 38.679 39.000 -0.096 0.000 1.008 681 F HN 0.004 nan 8.300 nan 0.000 0.480 682 M N -0.340 119.345 119.600 0.142 0.000 2.159 682 M HA -0.192 4.280 4.480 -0.014 0.000 0.263 682 M C 2.030 178.386 176.300 0.093 0.000 1.063 682 M CA 1.614 56.969 55.300 0.090 0.000 1.110 682 M CB -0.209 32.443 32.600 0.085 0.000 1.374 682 M HN 0.283 nan 8.290 nan 0.000 0.411 683 L N 0.544 121.821 121.223 0.090 0.000 2.395 683 L HA -0.007 4.325 4.340 -0.014 0.000 0.218 683 L C 1.143 178.059 176.870 0.076 0.000 1.130 683 L CA 1.353 56.251 54.840 0.096 0.000 0.826 683 L CB -0.426 41.701 42.059 0.113 0.000 0.941 683 L HN 0.312 nan 8.230 nan 0.000 0.451 684 N N 0.162 118.898 118.700 0.060 0.000 2.238 684 N HA 0.183 4.914 4.740 -0.014 0.000 0.222 684 N C 0.677 176.222 175.510 0.058 0.000 1.133 684 N CA 0.750 53.828 53.050 0.046 0.000 0.854 684 N CB 0.515 39.005 38.487 0.006 0.000 1.041 684 N HN 0.363 nan 8.380 nan 0.000 0.510 685 G N 0.770 109.609 108.800 0.066 0.000 2.248 685 G HA2 -0.171 3.781 3.960 -0.014 0.000 0.263 685 G HA3 -0.171 3.781 3.960 -0.014 0.000 0.263 685 G C -0.138 174.828 174.900 0.111 0.000 1.082 685 G CA 0.230 45.370 45.100 0.068 0.000 0.863 685 G HN 0.520 nan 8.290 nan 0.000 0.495 686 A N -0.615 122.275 122.820 0.117 0.000 2.380 686 A HA 0.910 5.222 4.320 -0.014 0.000 0.315 686 A C -0.400 177.188 177.584 0.007 0.000 1.101 686 A CA -0.785 51.341 52.037 0.148 0.000 0.771 686 A CB 1.610 20.767 19.000 0.261 0.000 1.287 686 A HN 0.814 nan 8.150 nan 0.000 0.436 687 L N 0.784 121.980 121.223 -0.046 0.000 2.343 687 L HA 0.584 4.916 4.340 -0.014 0.000 0.275 687 L C 0.439 177.177 176.870 -0.220 0.000 1.056 687 L CA 0.406 55.118 54.840 -0.213 0.000 0.804 687 L CB 1.655 43.504 42.059 -0.351 0.000 1.203 687 L HN 0.740 nan 8.230 nan 0.000 0.440 688 T N 4.202 118.504 114.554 -0.421 0.000 2.771 688 T HA 0.517 4.859 4.350 -0.014 0.000 0.281 688 T C -0.232 174.338 174.700 -0.216 0.000 0.982 688 T CA -0.161 61.674 62.100 -0.441 0.000 0.978 688 T CB 0.844 69.271 68.868 -0.734 0.000 0.930 688 T HN 0.443 nan 8.240 nan 0.000 0.447 689 I N 3.012 123.547 120.570 -0.059 0.000 2.339 689 I HA 0.721 4.883 4.170 -0.014 0.000 0.290 689 I C 0.117 176.393 176.117 0.265 0.000 0.994 689 I CA 0.102 61.488 61.300 0.143 0.000 1.191 689 I CB 0.275 38.269 38.000 -0.010 0.000 1.343 689 I HN 0.788 nan 8.210 nan 0.000 0.458 690 G N 3.982 113.026 108.800 0.405 0.000 2.550 690 G HA2 0.449 4.401 3.960 -0.014 0.000 0.293 690 G HA3 0.449 4.401 3.960 -0.014 0.000 0.293 690 G C -0.964 173.873 174.900 -0.104 0.000 1.402 690 G CA -0.250 45.002 45.100 0.254 0.000 0.784 690 G HN 0.587 nan 8.290 nan 0.000 0.482 691 T N -1.763 112.608 114.554 -0.304 0.000 2.927 691 T HA 0.548 4.890 4.350 -0.014 0.000 0.281 691 T C 0.610 175.201 174.700 -0.182 0.000 0.998 691 T CA -0.715 61.130 62.100 -0.424 0.000 1.019 691 T CB 1.290 69.902 68.868 -0.427 0.000 1.061 691 T HN 0.263 nan 8.240 nan 0.000 0.518 692 M N 3.005 122.506 119.600 -0.165 0.000 3.254 692 M HA 0.339 4.811 4.480 -0.014 0.000 0.257 692 M C -0.479 175.770 176.300 -0.085 0.000 1.490 692 M CA -0.038 55.198 55.300 -0.106 0.000 1.620 692 M CB -1.836 30.709 32.600 -0.092 0.000 1.157 692 M HN 0.737 nan 8.290 nan 0.000 0.541 693 D N -0.020 120.337 120.400 -0.072 0.000 2.671 693 D HA 0.675 5.307 4.640 -0.014 0.000 0.232 693 D C 0.698 176.979 176.300 -0.031 0.000 1.114 693 D CA 0.702 54.675 54.000 -0.046 0.000 0.858 693 D CB 1.737 42.512 40.800 -0.042 0.000 1.544 693 D HN 0.600 nan 8.370 nan 0.000 0.471 694 G N 1.684 110.476 108.800 -0.014 0.000 2.627 694 G HA2 -0.255 3.697 3.960 -0.014 0.000 0.312 694 G HA3 -0.255 3.697 3.960 -0.014 0.000 0.312 694 G C 1.036 175.930 174.900 -0.009 0.000 1.299 694 G CA 1.080 46.176 45.100 -0.007 0.000 0.989 694 G HN 1.059 nan 8.290 nan 0.000 0.547 695 A N -0.301 122.507 122.820 -0.019 0.000 2.209 695 A HA 0.095 4.406 4.320 -0.014 0.000 0.212 695 A C 2.098 179.621 177.584 -0.103 0.000 1.158 695 A CA 1.855 53.873 52.037 -0.032 0.000 0.742 695 A CB -0.457 18.503 19.000 -0.066 0.000 0.790 695 A HN 0.609 nan 8.150 nan 0.000 0.472 696 N N 0.413 119.061 118.700 -0.086 0.000 2.149 696 N HA -0.144 4.588 4.740 -0.014 0.000 0.188 696 N C 1.585 176.973 175.510 -0.203 0.000 1.019 696 N CA 1.569 54.561 53.050 -0.096 0.000 0.857 696 N CB -0.563 37.913 38.487 -0.019 0.000 0.997 696 N HN 0.282 nan 8.380 nan 0.000 0.426 697 V N 1.269 121.105 119.914 -0.130 0.000 2.287 697 V HA -0.212 3.899 4.120 -0.014 0.000 0.248 697 V C 1.913 177.936 176.094 -0.120 0.000 1.053 697 V CA 1.683 63.903 62.300 -0.133 0.000 1.027 697 V CB -0.490 31.291 31.823 -0.070 0.000 0.646 697 V HN 0.359 nan 8.190 nan 0.000 0.447 698 E N -0.661 119.527 120.200 -0.020 0.000 2.208 698 E HA -0.129 4.213 4.350 -0.014 0.000 0.193 698 E C 2.181 178.906 176.600 0.209 0.000 0.988 698 E CA 0.996 57.460 56.400 0.108 0.000 0.828 698 E CB -0.156 29.690 29.700 0.244 0.000 0.763 698 E HN 0.559 nan 8.360 nan 0.000 0.478 699 M N 0.313 119.933 119.600 0.034 0.000 2.123 699 M HA -0.089 4.383 4.480 -0.014 0.000 0.263 699 M C 2.491 178.613 176.300 -0.297 0.000 1.069 699 M CA 1.436 56.724 55.300 -0.020 0.000 1.133 699 M CB -0.124 32.348 32.600 -0.213 0.000 1.356 699 M HN 0.129 nan 8.290 nan 0.000 0.415 700 A N 0.059 122.368 122.820 -0.853 0.000 1.933 700 A HA -0.214 4.097 4.320 -0.014 0.000 0.218 700 A C 1.979 179.368 177.584 -0.325 0.000 1.175 700 A CA 1.937 53.408 52.037 -0.944 0.000 0.628 700 A CB -0.833 17.576 19.000 -0.984 0.000 0.814 700 A HN 0.601 nan 8.150 nan 0.000 0.444 701 E N -0.417 119.657 120.200 -0.211 0.000 2.153 701 E HA -0.212 4.130 4.350 -0.014 0.000 0.194 701 E C 1.647 178.217 176.600 -0.050 0.000 0.988 701 E CA 1.253 57.593 56.400 -0.100 0.000 0.811 701 E CB -0.058 29.602 29.700 -0.066 0.000 0.746 701 E HN 0.566 nan 8.360 nan 0.000 0.466 702 E N -0.123 120.072 120.200 -0.008 0.000 2.112 702 E HA -0.047 4.294 4.350 -0.014 0.000 0.190 702 E C 1.677 178.301 176.600 0.040 0.000 0.979 702 E CA 0.996 57.413 56.400 0.028 0.000 0.814 702 E CB 0.136 29.893 29.700 0.095 0.000 0.762 702 E HN 0.353 nan 8.360 nan 0.000 0.460 703 A N 0.382 123.236 122.820 0.056 0.000 2.238 703 A HA 0.405 4.717 4.320 -0.014 0.000 0.210 703 A C 0.926 178.534 177.584 0.041 0.000 1.179 703 A CA 0.832 52.919 52.037 0.083 0.000 0.827 703 A CB 0.179 19.292 19.000 0.188 0.000 0.856 703 A HN 0.191 nan 8.150 nan 0.000 0.488 704 G N -0.243 108.553 108.800 -0.007 0.000 3.190 704 G HA2 -0.122 3.829 3.960 -0.014 0.000 0.686 704 G HA3 -0.122 3.829 3.960 -0.014 0.000 0.686 704 G C -0.013 174.874 174.900 -0.021 0.000 1.033 704 G CA -0.018 45.070 45.100 -0.021 0.000 0.797 704 G HN 0.289 nan 8.290 nan 0.000 0.567 705 E N 0.929 121.100 120.200 -0.048 0.000 2.267 705 E HA -0.146 4.196 4.350 -0.014 0.000 0.197 705 E C 2.027 178.614 176.600 -0.021 0.000 0.998 705 E CA 1.691 58.069 56.400 -0.037 0.000 0.830 705 E CB 0.079 29.751 29.700 -0.046 0.000 0.751 705 E HN 0.797 nan 8.360 nan 0.000 0.491 706 E N 0.456 120.632 120.200 -0.041 0.000 2.274 706 E HA -0.062 4.279 4.350 -0.014 0.000 0.194 706 E C 0.906 177.423 176.600 -0.138 0.000 0.996 706 E CA 0.585 56.938 56.400 -0.078 0.000 0.840 706 E CB 0.090 29.756 29.700 -0.057 0.000 0.772 706 E HN 0.148 nan 8.360 nan 0.000 0.491 707 N N -0.246 118.405 118.700 -0.081 0.000 2.251 707 N HA 0.149 4.880 4.740 -0.014 0.000 0.217 707 N C -0.957 174.485 175.510 -0.114 0.000 1.124 707 N CA 0.100 53.076 53.050 -0.123 0.000 0.843 707 N CB 0.429 38.897 38.487 -0.032 0.000 1.024 707 N HN 0.039 nan 8.380 nan 0.000 0.501 708 F N -0.431 119.316 119.950 -0.339 0.000 2.588 708 F HA 0.418 4.936 4.527 -0.015 0.000 0.314 708 F C -0.799 174.779 175.800 -0.369 0.000 1.069 708 F CA -1.071 56.770 58.000 -0.265 0.000 0.931 708 F CB 1.426 40.359 39.000 -0.112 0.000 1.260 708 F HN -0.221 nan 8.300 nan 0.000 0.465 709 F N 4.800 124.779 119.950 0.048 0.000 2.318 709 F HA 0.437 4.956 4.527 -0.014 0.000 0.356 709 F C -0.408 175.537 175.800 0.242 0.000 1.109 709 F CA -0.481 57.576 58.000 0.095 0.000 1.234 709 F CB 0.046 39.043 39.000 -0.006 0.000 1.545 709 F HN 0.042 nan 8.300 nan 0.000 0.534 710 I N 3.362 124.147 120.570 0.360 0.000 2.440 710 I HA 0.427 4.589 4.170 -0.014 0.000 0.294 710 I C -0.114 176.195 176.117 0.320 0.000 0.995 710 I CA -0.412 61.058 61.300 0.284 0.000 1.306 710 I CB 0.691 38.773 38.000 0.137 0.000 1.407 710 I HN 0.363 nan 8.210 nan 0.000 0.501 711 F N 2.770 122.792 119.950 0.119 0.000 2.831 711 F HA 0.898 5.417 4.527 -0.015 0.000 0.318 711 F C 0.059 175.907 175.800 0.081 0.000 1.174 711 F CA -0.580 57.482 58.000 0.102 0.000 0.918 711 F CB 0.648 39.724 39.000 0.126 0.000 1.364 711 F HN 0.866 nan 8.300 nan 0.000 0.475 712 G N 0.922 109.788 108.800 0.109 0.000 2.855 712 G HA2 -0.125 3.826 3.960 -0.014 0.000 0.352 712 G HA3 -0.125 3.826 3.960 -0.014 0.000 0.352 712 G C -0.755 174.118 174.900 -0.045 0.000 1.415 712 G CA -0.475 44.618 45.100 -0.012 0.000 0.871 712 G HN 0.972 nan 8.290 nan 0.000 0.543 713 M N 0.664 120.250 119.600 -0.022 0.000 2.252 713 M HA 0.252 4.723 4.480 -0.014 0.000 0.333 713 M C 1.243 177.514 176.300 -0.049 0.000 1.111 713 M CA 0.153 55.447 55.300 -0.010 0.000 1.140 713 M CB 0.344 32.948 32.600 0.006 0.000 1.538 713 M HN 0.567 nan 8.290 nan 0.000 0.448 714 R N 1.364 121.847 120.500 -0.027 0.000 2.606 714 R HA 0.339 4.670 4.340 -0.014 0.000 0.249 714 R C 1.160 177.443 176.300 -0.028 0.000 1.127 714 R CA -0.685 55.392 56.100 -0.038 0.000 1.133 714 R CB -0.143 30.141 30.300 -0.027 0.000 1.243 714 R HN 0.562 nan 8.270 nan 0.000 0.558 715 V N 1.893 121.789 119.914 -0.030 0.000 2.282 715 V HA -0.267 3.845 4.120 -0.014 0.000 0.249 715 V C 2.166 178.251 176.094 -0.015 0.000 1.057 715 V CA 2.175 64.461 62.300 -0.024 0.000 1.032 715 V CB -0.482 31.325 31.823 -0.027 0.000 0.645 715 V HN 0.650 nan 8.190 nan 0.000 0.447 716 E N 0.022 120.215 120.200 -0.012 0.000 2.085 716 E HA -0.255 4.087 4.350 -0.014 0.000 0.194 716 E C 1.795 178.400 176.600 0.008 0.000 0.994 716 E CA 1.610 58.008 56.400 -0.004 0.000 0.801 716 E CB -0.795 28.904 29.700 -0.003 0.000 0.743 716 E HN 0.631 nan 8.360 nan 0.000 0.453 717 D N 1.113 121.520 120.400 0.012 0.000 2.117 717 D HA -0.092 4.540 4.640 -0.014 0.000 0.197 717 D C 2.230 178.549 176.300 0.033 0.000 0.987 717 D CA 1.105 55.123 54.000 0.031 0.000 0.829 717 D CB -0.015 40.806 40.800 0.036 0.000 0.961 717 D HN 0.061 nan 8.370 nan 0.000 0.460 718 V N 1.995 121.916 119.914 0.012 0.000 2.287 718 V HA -0.231 3.881 4.120 -0.014 0.000 0.248 718 V C 2.039 178.138 176.094 0.007 0.000 1.053 718 V CA 1.787 64.088 62.300 0.000 0.000 1.027 718 V CB -0.428 31.384 31.823 -0.018 0.000 0.646 718 V HN 0.053 nan 8.190 nan 0.000 0.447 719 D N -0.387 120.015 120.400 0.005 0.000 2.117 719 D HA -0.162 4.469 4.640 -0.014 0.000 0.197 719 D C 2.354 178.668 176.300 0.023 0.000 0.987 719 D CA 1.250 55.254 54.000 0.006 0.000 0.829 719 D CB -0.278 40.521 40.800 -0.001 0.000 0.961 719 D HN 0.305 nan 8.370 nan 0.000 0.460 720 R N 0.250 120.768 120.500 0.030 0.000 2.096 720 R HA -0.082 4.250 4.340 -0.014 0.000 0.240 720 R C 2.491 178.827 176.300 0.061 0.000 1.139 720 R CA 0.733 56.858 56.100 0.041 0.000 0.952 720 R CB -0.436 29.891 30.300 0.045 0.000 0.854 720 R HN 0.184 nan 8.270 nan 0.000 0.436 721 L N 0.482 121.752 121.223 0.079 0.000 2.083 721 L HA -0.223 4.109 4.340 -0.014 0.000 0.209 721 L C 1.405 178.344 176.870 0.116 0.000 1.083 721 L CA 1.457 56.371 54.840 0.124 0.000 0.752 721 L CB -0.297 41.855 42.059 0.154 0.000 0.899 721 L HN 0.296 nan 8.230 nan 0.000 0.433 722 D N -0.920 119.522 120.400 0.070 0.000 2.149 722 D HA -0.154 4.477 4.640 -0.014 0.000 0.201 722 D C 2.289 178.621 176.300 0.053 0.000 0.972 722 D CA 0.737 54.771 54.000 0.057 0.000 0.835 722 D CB 0.070 40.882 40.800 0.020 0.000 0.966 722 D HN 0.376 nan 8.370 nan 0.000 0.476 723 Q N 0.615 120.442 119.800 0.045 0.000 1.993 723 Q HA -0.119 4.212 4.340 -0.014 0.000 0.202 723 Q C 2.284 178.312 176.000 0.047 0.000 0.984 723 Q CA 0.860 56.686 55.803 0.038 0.000 0.837 723 Q CB -0.484 28.272 28.738 0.031 0.000 0.902 723 Q HN 0.297 nan 8.270 nan 0.000 0.423 724 R N 0.311 120.846 120.500 0.058 0.000 2.096 724 R HA -0.087 4.245 4.340 -0.014 0.000 0.240 724 R C 0.271 176.614 176.300 0.071 0.000 1.139 724 R CA 1.300 57.438 56.100 0.063 0.000 0.952 724 R CB -0.209 30.137 30.300 0.077 0.000 0.854 724 R HN 0.440 nan 8.270 nan 0.000 0.436 725 G N -0.654 108.204 108.800 0.097 0.000 3.226 725 G HA2 -0.226 3.725 3.960 -0.014 0.000 0.685 725 G HA3 -0.226 3.725 3.960 -0.014 0.000 0.685 725 G C -1.404 173.596 174.900 0.167 0.000 1.207 725 G CA -0.476 44.690 45.100 0.111 0.000 0.877 725 G HN 0.307 nan 8.290 nan 0.000 0.585 726 Y N 3.827 124.164 120.300 0.062 0.000 2.393 726 Y HA 0.585 5.126 4.550 -0.014 0.000 0.338 726 Y C 0.327 176.289 175.900 0.103 0.000 1.029 726 Y CA -0.791 57.365 58.100 0.092 0.000 1.239 726 Y CB 0.956 39.448 38.460 0.054 0.000 1.170 726 Y HN 0.577 nan 8.280 nan 0.000 0.515 727 N N 5.124 123.592 118.700 -0.387 0.000 2.524 727 N HA 0.281 5.012 4.740 -0.014 0.000 0.261 727 N C 0.036 175.292 175.510 -0.422 0.000 0.998 727 N CA 0.280 53.133 53.050 -0.327 0.000 0.915 727 N CB 1.682 40.104 38.487 -0.108 0.000 1.187 727 N HN 0.882 nan 8.380 nan 0.000 0.507 728 A N 3.142 125.670 122.820 -0.487 0.000 2.015 728 A HA -0.191 4.121 4.320 -0.014 0.000 0.219 728 A C 1.932 179.672 177.584 0.261 0.000 1.163 728 A CA 1.289 53.297 52.037 -0.049 0.000 0.646 728 A CB -0.296 18.663 19.000 -0.067 0.000 0.806 728 A HN 0.763 nan 8.150 nan 0.000 0.448 729 Q N 0.264 120.108 119.800 0.073 0.000 2.112 729 Q HA -0.244 4.088 4.340 -0.014 0.000 0.206 729 Q C 1.886 177.963 176.000 0.128 0.000 0.987 729 Q CA 2.336 58.192 55.803 0.089 0.000 0.858 729 Q CB -0.346 28.401 28.738 0.015 0.000 0.905 729 Q HN 0.759 nan 8.270 nan 0.000 0.420 730 E N -1.254 118.961 120.200 0.025 0.000 2.048 730 E HA -0.261 4.080 4.350 -0.014 0.000 0.202 730 E C 1.775 178.304 176.600 -0.118 0.000 1.021 730 E CA 1.780 58.118 56.400 -0.104 0.000 0.825 730 E CB -0.290 29.243 29.700 -0.278 0.000 0.756 730 E HN 0.572 nan 8.360 nan 0.000 0.454 731 Y N -1.177 119.154 120.300 0.052 0.000 2.224 731 Y HA -0.245 4.297 4.550 -0.014 0.000 0.289 731 Y C 2.199 178.044 175.900 -0.092 0.000 1.146 731 Y CA 1.590 59.699 58.100 0.014 0.000 1.182 731 Y CB -0.572 37.938 38.460 0.085 0.000 0.983 731 Y HN 0.291 nan 8.280 nan 0.000 0.524 732 Y N 1.002 121.282 120.300 -0.033 0.000 2.242 732 Y HA -0.228 4.314 4.550 -0.014 0.000 0.291 732 Y C 1.872 177.714 175.900 -0.096 0.000 1.137 732 Y CA 1.660 59.672 58.100 -0.147 0.000 1.181 732 Y CB -0.273 38.155 38.460 -0.054 0.000 0.989 732 Y HN 0.057 nan 8.280 nan 0.000 0.527 733 D N -0.159 120.291 120.400 0.083 0.000 2.123 733 D HA -0.105 4.526 4.640 -0.014 0.000 0.200 733 D C 1.927 178.179 176.300 -0.080 0.000 0.976 733 D CA 1.193 55.196 54.000 0.005 0.000 0.831 733 D CB -0.098 40.732 40.800 0.049 0.000 0.974 733 D HN 0.468 nan 8.370 nan 0.000 0.469 734 R N 0.070 120.522 120.500 -0.079 0.000 2.276 734 R HA 0.191 4.523 4.340 -0.014 0.000 0.196 734 R C 0.427 176.686 176.300 -0.068 0.000 0.961 734 R CA 0.164 56.221 56.100 -0.072 0.000 1.024 734 R CB 0.590 30.846 30.300 -0.073 0.000 0.940 734 R HN 0.179 nan 8.270 nan 0.000 0.480 735 I N 2.388 122.895 120.570 -0.105 0.000 2.420 735 I HA 0.208 4.370 4.170 -0.014 0.000 0.282 735 I C -1.854 174.152 176.117 -0.184 0.000 1.019 735 I CA -2.444 58.801 61.300 -0.092 0.000 1.130 735 I CB 2.303 40.278 38.000 -0.041 0.000 1.262 735 I HN -0.255 nan 8.210 nan 0.000 0.454 736 P HA -0.147 nan 4.420 nan 0.000 0.215 736 P C 1.219 178.422 177.300 -0.161 0.000 1.157 736 P CA 1.307 64.309 63.100 -0.164 0.000 0.863 736 P CB 0.303 31.942 31.700 -0.103 0.000 0.787 737 E N -0.797 119.350 120.200 -0.088 0.000 2.085 737 E HA -0.193 4.148 4.350 -0.014 0.000 0.194 737 E C 1.902 178.420 176.600 -0.137 0.000 0.994 737 E CA 0.914 57.284 56.400 -0.050 0.000 0.801 737 E CB -0.695 29.048 29.700 0.071 0.000 0.743 737 E HN 0.091 nan 8.360 nan 0.000 0.453 738 L N 1.465 122.520 121.223 -0.279 0.000 2.017 738 L HA -0.169 4.162 4.340 -0.014 0.000 0.208 738 L C 2.379 178.990 176.870 -0.432 0.000 1.073 738 L CA 1.733 56.241 54.840 -0.554 0.000 0.745 738 L CB -0.501 41.083 42.059 -0.793 0.000 0.894 738 L HN -0.053 nan 8.230 nan 0.000 0.432 739 R N -0.834 119.376 120.500 -0.483 0.000 2.083 739 R HA -0.243 4.089 4.340 -0.014 0.000 0.237 739 R C 2.399 178.542 176.300 -0.262 0.000 1.137 739 R CA 1.996 57.724 56.100 -0.620 0.000 0.951 739 R CB -0.411 29.425 30.300 -0.773 0.000 0.851 739 R HN 0.627 nan 8.270 nan 0.000 0.434 740 Q N 0.440 120.119 119.800 -0.201 0.000 2.112 740 Q HA -0.201 4.131 4.340 -0.014 0.000 0.206 740 Q C 2.070 178.032 176.000 -0.063 0.000 0.987 740 Q CA 2.013 57.746 55.803 -0.117 0.000 0.858 740 Q CB -0.119 28.552 28.738 -0.112 0.000 0.905 740 Q HN 0.494 nan 8.270 nan 0.000 0.420 741 I N 0.052 120.588 120.570 -0.056 0.000 2.202 741 I HA -0.283 3.879 4.170 -0.014 0.000 0.242 741 I C 2.177 178.341 176.117 0.078 0.000 1.091 741 I CA 0.808 62.123 61.300 0.025 0.000 1.368 741 I CB -0.193 37.806 38.000 -0.002 0.000 1.058 741 I HN 0.221 nan 8.210 nan 0.000 0.410 742 I N 0.759 121.369 120.570 0.067 0.000 2.264 742 I HA -0.283 3.879 4.170 -0.014 0.000 0.248 742 I C 2.386 178.611 176.117 0.180 0.000 1.111 742 I CA 1.645 63.046 61.300 0.168 0.000 1.382 742 I CB -0.346 37.834 38.000 0.299 0.000 1.060 742 I HN 0.211 nan 8.210 nan 0.000 0.418 743 E N -0.438 119.851 120.200 0.148 0.000 2.285 743 E HA -0.210 4.131 4.350 -0.014 0.000 0.194 743 E C 2.093 178.764 176.600 0.119 0.000 0.997 743 E CA 0.541 57.020 56.400 0.131 0.000 0.845 743 E CB -0.094 29.662 29.700 0.094 0.000 0.782 743 E HN 0.585 nan 8.360 nan 0.000 0.491 744 Q N 0.560 120.426 119.800 0.110 0.000 2.079 744 Q HA -0.082 4.249 4.340 -0.014 0.000 0.200 744 Q C 2.249 178.441 176.000 0.319 0.000 0.974 744 Q CA 0.892 56.778 55.803 0.137 0.000 0.840 744 Q CB 0.107 28.889 28.738 0.074 0.000 0.898 744 Q HN 0.280 nan 8.270 nan 0.000 0.430 745 L N -0.557 120.860 121.223 0.324 0.000 2.056 745 L HA -0.149 4.183 4.340 -0.014 0.000 0.207 745 L C 2.393 179.443 176.870 0.299 0.000 1.078 745 L CA 0.823 55.865 54.840 0.338 0.000 0.749 745 L CB -0.315 41.866 42.059 0.202 0.000 0.901 745 L HN 0.119 nan 8.230 nan 0.000 0.433 746 S N -0.418 115.416 115.700 0.223 0.000 2.423 746 S HA -0.119 4.342 4.470 -0.014 0.000 0.231 746 S C 1.959 176.658 174.600 0.166 0.000 1.014 746 S CA 1.460 59.769 58.200 0.182 0.000 0.965 746 S CB -0.087 63.200 63.200 0.146 0.000 0.785 746 S HN 0.592 nan 8.310 nan 0.000 0.495 747 S N -0.349 115.454 115.700 0.173 0.000 2.556 747 S HA 0.428 4.890 4.470 -0.014 0.000 0.216 747 S C 1.271 175.966 174.600 0.159 0.000 0.970 747 S CA 0.521 58.809 58.200 0.145 0.000 0.912 747 S CB 0.422 63.696 63.200 0.123 0.000 0.790 747 S HN 0.667 nan 8.310 nan 0.000 0.504 748 G N 1.115 110.042 108.800 0.211 0.000 2.132 748 G HA2 -0.316 3.636 3.960 -0.014 0.000 0.234 748 G HA3 -0.316 3.636 3.960 -0.014 0.000 0.234 748 G C 0.222 175.218 174.900 0.160 0.000 0.989 748 G CA 0.119 45.334 45.100 0.192 0.000 0.676 748 G HN 0.569 nan 8.290 nan 0.000 0.522 749 F N 0.173 120.137 119.950 0.023 0.000 2.202 749 F HA 0.152 4.671 4.527 -0.014 0.000 0.301 749 F C 1.892 177.525 175.800 -0.280 0.000 1.082 749 F CA 2.058 59.958 58.000 -0.167 0.000 1.313 749 F CB -0.055 38.767 39.000 -0.296 0.000 1.024 749 F HN 0.166 nan 8.300 nan 0.000 0.495 750 F N -0.211 119.772 119.950 0.055 0.000 2.727 750 F HA 0.190 4.709 4.527 -0.014 0.000 0.302 750 F C 0.728 176.578 175.800 0.083 0.000 1.097 750 F CA 0.274 58.256 58.000 -0.031 0.000 1.330 750 F CB -0.010 39.002 39.000 0.021 0.000 1.084 750 F HN -0.033 nan 8.300 nan 0.000 0.578 751 S N -1.579 114.265 115.700 0.240 0.000 2.440 751 S HA 0.335 4.796 4.470 -0.014 0.000 0.142 751 S C -2.464 172.170 174.600 0.057 0.000 1.578 751 S CA -1.136 57.153 58.200 0.150 0.000 1.260 751 S CB 1.041 64.320 63.200 0.131 0.000 1.407 751 S HN -0.194 nan 8.310 nan 0.000 0.392 752 P HA -0.149 nan 4.420 nan 0.000 0.212 752 P C 1.286 178.588 177.300 0.004 0.000 1.178 752 P CA 1.514 64.607 63.100 -0.010 0.000 0.915 752 P CB 0.076 31.750 31.700 -0.044 0.000 0.788 753 K N -0.823 119.577 120.400 0.000 0.000 2.103 753 K HA -0.132 4.180 4.320 -0.014 0.000 0.207 753 K C 0.665 177.269 176.600 0.007 0.000 1.048 753 K CA 1.169 57.458 56.287 0.004 0.000 0.930 753 K CB -0.336 32.167 32.500 0.005 0.000 0.716 753 K HN 0.369 nan 8.250 nan 0.000 0.444 754 Q N -0.289 119.513 119.800 0.004 0.000 2.798 754 Q HA 0.159 4.491 4.340 -0.014 0.000 0.250 754 Q C -2.329 173.669 176.000 -0.002 0.000 1.006 754 Q CA -1.643 54.157 55.803 -0.005 0.000 0.759 754 Q CB 1.605 30.331 28.738 -0.021 0.000 1.201 754 Q HN -0.082 nan 8.270 nan 0.000 0.486 755 P HA -0.235 nan 4.420 nan 0.000 0.217 755 P C 0.623 177.965 177.300 0.071 0.000 1.148 755 P CA 1.427 64.564 63.100 0.060 0.000 0.828 755 P CB 0.226 31.959 31.700 0.056 0.000 0.783 756 D N -1.142 119.281 120.400 0.039 0.000 2.342 756 D HA -0.015 4.617 4.640 -0.014 0.000 0.221 756 D C 1.642 177.945 176.300 0.005 0.000 1.101 756 D CA -0.207 53.822 54.000 0.048 0.000 0.837 756 D CB -0.484 40.343 40.800 0.045 0.000 0.938 756 D HN 0.009 nan 8.370 nan 0.000 0.508 757 L N 0.183 121.348 121.223 -0.097 0.000 2.089 757 L HA -0.111 4.220 4.340 -0.014 0.000 0.213 757 L C 1.017 177.653 176.870 -0.390 0.000 1.079 757 L CA 1.696 56.351 54.840 -0.307 0.000 0.758 757 L CB -0.664 41.040 42.059 -0.592 0.000 0.891 757 L HN -0.005 nan 8.230 nan 0.000 0.433 758 F N -0.722 119.281 119.950 0.089 0.000 2.819 758 F HA 0.160 4.679 4.527 -0.014 0.000 0.294 758 F C 1.715 177.565 175.800 0.084 0.000 1.166 758 F CA -0.229 57.813 58.000 0.072 0.000 1.374 758 F CB -0.284 38.746 39.000 0.050 0.000 0.956 758 F HN 0.098 nan 8.300 nan 0.000 0.509 759 K N -0.816 119.701 120.400 0.194 0.000 2.148 759 K HA -0.124 4.187 4.320 -0.014 0.000 0.204 759 K C 0.946 177.650 176.600 0.172 0.000 1.050 759 K CA 1.648 58.034 56.287 0.165 0.000 0.942 759 K CB -0.134 32.440 32.500 0.123 0.000 0.724 759 K HN 0.045 nan 8.250 nan 0.000 0.446 760 D N 1.332 121.845 120.400 0.189 0.000 2.117 760 D HA -0.068 4.563 4.640 -0.014 0.000 0.198 760 D C 1.995 178.406 176.300 0.186 0.000 0.982 760 D CA 1.064 55.188 54.000 0.206 0.000 0.828 760 D CB -0.100 40.855 40.800 0.259 0.000 0.967 760 D HN 0.280 nan 8.370 nan 0.000 0.464 761 I N 0.416 121.093 120.570 0.179 0.000 2.202 761 I HA -0.214 3.948 4.170 -0.014 0.000 0.242 761 I C 2.435 178.605 176.117 0.088 0.000 1.091 761 I CA 0.589 61.963 61.300 0.124 0.000 1.368 761 I CB -0.163 37.907 38.000 0.117 0.000 1.058 761 I HN -0.125 nan 8.210 nan 0.000 0.410 762 V N 0.911 120.893 119.914 0.114 0.000 2.295 762 V HA -0.321 3.791 4.120 -0.014 0.000 0.246 762 V C 2.170 178.271 176.094 0.012 0.000 1.049 762 V CA 2.510 64.858 62.300 0.079 0.000 1.024 762 V CB -1.008 30.883 31.823 0.113 0.000 0.648 762 V HN 0.497 nan 8.190 nan 0.000 0.447 763 N N -0.375 118.367 118.700 0.070 0.000 2.061 763 N HA -0.263 4.469 4.740 -0.014 0.000 0.193 763 N C 2.004 177.483 175.510 -0.051 0.000 1.030 763 N CA 1.997 55.100 53.050 0.088 0.000 0.856 763 N CB -0.186 38.428 38.487 0.212 0.000 1.023 763 N HN 0.385 nan 8.380 nan 0.000 0.424 764 M N 0.140 119.775 119.600 0.058 0.000 2.086 764 M HA -0.153 4.319 4.480 -0.014 0.000 0.261 764 M C 1.612 177.834 176.300 -0.130 0.000 1.067 764 M CA 1.394 56.739 55.300 0.074 0.000 1.116 764 M CB -0.471 32.242 32.600 0.188 0.000 1.348 764 M HN 0.252 nan 8.290 nan 0.000 0.407 765 L N 0.887 122.013 121.223 -0.161 0.000 2.042 765 L HA -0.224 4.107 4.340 -0.014 0.000 0.210 765 L C 2.459 179.024 176.870 -0.508 0.000 1.076 765 L CA 1.734 56.360 54.840 -0.357 0.000 0.749 765 L CB -1.107 40.767 42.059 -0.308 0.000 0.893 765 L HN 0.400 nan 8.230 nan 0.000 0.432 766 M N -2.042 117.295 119.600 -0.439 0.000 2.334 766 M HA -0.058 4.414 4.480 -0.014 0.000 0.266 766 M C 1.802 177.657 176.300 -0.740 0.000 1.082 766 M CA 1.277 56.229 55.300 -0.580 0.000 1.141 766 M CB -0.742 31.397 32.600 -0.769 0.000 1.380 766 M HN 0.335 nan 8.290 nan 0.000 0.440 767 H N -1.740 117.113 119.070 -0.362 0.000 2.927 767 H HA 0.211 4.758 4.556 -0.014 0.000 0.255 767 H C 0.105 175.165 175.328 -0.446 0.000 0.974 767 H CA 0.594 56.369 56.048 -0.455 0.000 1.199 767 H CB 0.247 29.675 29.762 -0.557 0.000 1.447 767 H HN 0.550 nan 8.280 nan 0.000 0.467 768 H N -0.333 118.798 119.070 0.101 0.000 2.716 768 H HA 0.211 4.758 4.556 -0.014 0.000 0.230 768 H C -0.879 174.460 175.328 0.019 0.000 1.401 768 H CA -0.505 55.586 56.048 0.070 0.000 1.168 768 H CB 0.491 30.299 29.762 0.076 0.000 1.935 768 H HN -0.073 nan 8.280 nan 0.000 0.538 769 D N 1.446 121.871 120.400 0.041 0.000 2.393 769 D HA 0.105 4.736 4.640 -0.014 0.000 0.232 769 D C 0.936 177.134 176.300 -0.169 0.000 1.192 769 D CA -0.240 53.739 54.000 -0.035 0.000 0.882 769 D CB 0.641 41.393 40.800 -0.079 0.000 1.038 769 D HN 0.403 nan 8.370 nan 0.000 0.499 770 R N 2.338 122.645 120.500 -0.321 0.000 2.235 770 R HA -0.037 4.295 4.340 -0.014 0.000 0.213 770 R C 0.515 176.222 176.300 -0.988 0.000 1.059 770 R CA 0.804 56.490 56.100 -0.690 0.000 0.997 770 R CB 0.170 29.881 30.300 -0.982 0.000 0.884 770 R HN 0.397 nan 8.270 nan 0.000 0.462 771 F N 1.465 121.355 119.950 -0.101 0.000 2.708 771 F HA 0.203 4.722 4.527 -0.014 0.000 0.300 771 F C -0.012 175.646 175.800 -0.237 0.000 1.118 771 F CA -0.900 57.027 58.000 -0.123 0.000 1.307 771 F CB 0.090 39.080 39.000 -0.018 0.000 0.986 771 F HN -0.186 nan 8.300 nan 0.000 0.522 772 K N -0.708 119.439 120.400 -0.423 0.000 4.166 772 K HA -0.207 4.105 4.320 -0.014 0.000 0.276 772 K C 0.715 177.182 176.600 -0.221 0.000 0.808 772 K CA 0.234 56.106 56.287 -0.691 0.000 0.717 772 K CB -1.785 30.076 32.500 -1.065 0.000 1.774 772 K HN 0.296 nan 8.250 nan 0.000 0.427 773 V N 0.986 120.840 119.914 -0.100 0.000 2.295 773 V HA -0.243 3.868 4.120 -0.014 0.000 0.246 773 V C 2.211 178.426 176.094 0.202 0.000 1.049 773 V CA 2.059 64.381 62.300 0.036 0.000 1.024 773 V CB -0.615 31.222 31.823 0.023 0.000 0.648 773 V HN 0.632 nan 8.190 nan 0.000 0.447 774 F N 0.372 120.328 119.950 0.009 0.000 2.161 774 F HA -0.230 4.289 4.527 -0.014 0.000 0.300 774 F C 2.546 178.157 175.800 -0.314 0.000 1.089 774 F CA 0.725 58.676 58.000 -0.081 0.000 1.282 774 F CB -0.409 38.543 39.000 -0.080 0.000 1.010 774 F HN 0.208 nan 8.300 nan 0.000 0.485 775 A N -0.480 122.209 122.820 -0.218 0.000 2.024 775 A HA -0.217 4.095 4.320 -0.014 0.000 0.220 775 A C 1.421 179.026 177.584 0.035 0.000 1.164 775 A CA 2.039 53.888 52.037 -0.313 0.000 0.643 775 A CB -0.477 18.474 19.000 -0.082 0.000 0.806 775 A HN 0.250 nan 8.150 nan 0.000 0.451 776 D N -3.055 117.418 120.400 0.123 0.000 2.398 776 D HA 0.115 4.746 4.640 -0.014 0.000 0.210 776 D C 1.113 177.597 176.300 0.306 0.000 1.094 776 D CA -0.114 54.028 54.000 0.236 0.000 0.839 776 D CB -0.131 40.811 40.800 0.237 0.000 0.963 776 D HN 0.576 nan 8.370 nan 0.000 0.506 777 Y N 2.058 122.457 120.300 0.165 0.000 2.070 777 Y HA -0.231 4.311 4.550 -0.013 0.000 0.280 777 Y C 2.099 178.101 175.900 0.170 0.000 1.148 777 Y CA 1.908 60.115 58.100 0.178 0.000 1.125 777 Y CB 0.193 38.731 38.460 0.131 0.000 0.975 777 Y HN -0.112 nan 8.280 nan 0.000 0.492 778 E N 0.051 120.370 120.200 0.200 0.000 2.033 778 E HA -0.297 4.045 4.350 -0.014 0.000 0.199 778 E C 2.196 178.789 176.600 -0.012 0.000 1.011 778 E CA 1.786 58.218 56.400 0.054 0.000 0.815 778 E CB -0.280 29.537 29.700 0.195 0.000 0.755 778 E HN 0.621 nan 8.360 nan 0.000 0.451 779 E N -0.478 119.789 120.200 0.112 0.000 2.265 779 E HA -0.195 4.147 4.350 -0.014 0.000 0.196 779 E C 1.819 178.439 176.600 0.032 0.000 0.996 779 E CA 0.551 57.033 56.400 0.137 0.000 0.832 779 E CB -0.027 29.838 29.700 0.274 0.000 0.756 779 E HN 0.251 nan 8.360 nan 0.000 0.491 780 Y N 0.510 120.648 120.300 -0.270 0.000 2.153 780 Y HA -0.183 4.358 4.550 -0.014 0.000 0.289 780 Y C 2.178 177.698 175.900 -0.634 0.000 1.127 780 Y CA 1.482 59.103 58.100 -0.800 0.000 1.131 780 Y CB -0.588 37.458 38.460 -0.689 0.000 0.995 780 Y HN -0.029 nan 8.280 nan 0.000 0.505 781 V N -0.402 119.158 119.914 -0.589 0.000 2.427 781 V HA -0.164 3.947 4.120 -0.014 0.000 0.248 781 V C 2.212 178.084 176.094 -0.369 0.000 1.051 781 V CA 2.232 64.204 62.300 -0.546 0.000 1.048 781 V CB -0.658 30.921 31.823 -0.408 0.000 0.666 781 V HN 0.221 nan 8.190 nan 0.000 0.456 782 K N 0.069 120.316 120.400 -0.256 0.000 2.009 782 K HA -0.145 4.166 4.320 -0.014 0.000 0.210 782 K C 2.319 178.831 176.600 -0.147 0.000 1.049 782 K CA 2.129 58.333 56.287 -0.139 0.000 0.929 782 K CB -1.402 31.064 32.500 -0.057 0.000 0.714 782 K HN 0.671 nan 8.250 nan 0.000 0.440 783 C N 0.905 120.093 119.300 -0.187 0.000 2.425 783 C HA -0.098 4.354 4.460 -0.014 0.000 0.277 783 C C 2.463 177.280 174.990 -0.289 0.000 1.280 783 C CA 0.758 59.693 59.018 -0.140 0.000 1.744 783 C CB -0.750 26.926 27.740 -0.108 0.000 1.989 783 C HN 0.455 nan 8.230 nan 0.000 0.491 784 Q N 0.309 119.794 119.800 -0.525 0.000 2.170 784 Q HA -0.173 4.158 4.340 -0.014 0.000 0.203 784 Q C 1.973 177.783 176.000 -0.318 0.000 0.976 784 Q CA 1.595 57.047 55.803 -0.585 0.000 0.858 784 Q CB -0.351 27.828 28.738 -0.933 0.000 0.907 784 Q HN 0.757 nan 8.270 nan 0.000 0.433 785 E N 0.100 120.174 120.200 -0.209 0.000 2.106 785 E HA -0.124 4.217 4.350 -0.014 0.000 0.192 785 E C 2.066 178.638 176.600 -0.047 0.000 0.984 785 E CA 0.545 56.884 56.400 -0.101 0.000 0.806 785 E CB 0.065 29.724 29.700 -0.069 0.000 0.750 785 E HN 0.236 nan 8.360 nan 0.000 0.458 786 R N 0.395 120.879 120.500 -0.025 0.000 2.120 786 R HA -0.111 4.221 4.340 -0.014 0.000 0.234 786 R C 2.657 179.033 176.300 0.127 0.000 1.123 786 R CA 1.461 57.625 56.100 0.106 0.000 0.975 786 R CB -0.553 29.881 30.300 0.223 0.000 0.866 786 R HN 0.234 nan 8.270 nan 0.000 0.446 787 V N -1.453 118.343 119.914 -0.197 0.000 2.548 787 V HA -0.093 4.018 4.120 -0.014 0.000 0.249 787 V C 1.956 178.093 176.094 0.071 0.000 1.055 787 V CA 1.778 63.890 62.300 -0.314 0.000 1.065 787 V CB -0.029 31.287 31.823 -0.845 0.000 0.681 787 V HN 0.067 nan 8.190 nan 0.000 0.462 788 S N 0.875 116.556 115.700 -0.031 0.000 2.383 788 S HA 0.002 4.463 4.470 -0.014 0.000 0.227 788 S C 2.274 176.938 174.600 0.107 0.000 1.026 788 S CA 1.574 59.776 58.200 0.003 0.000 0.981 788 S CB -0.591 62.582 63.200 -0.046 0.000 0.818 788 S HN 0.958 nan 8.310 nan 0.000 0.472 789 A N 1.540 124.430 122.820 0.117 0.000 1.865 789 A HA -0.037 4.275 4.320 -0.014 0.000 0.217 789 A C 2.082 179.785 177.584 0.199 0.000 1.191 789 A CA 1.190 53.312 52.037 0.142 0.000 0.623 789 A CB -0.834 18.244 19.000 0.129 0.000 0.826 789 A HN 0.462 nan 8.150 nan 0.000 0.444 790 L N -1.944 119.466 121.223 0.313 0.000 2.201 790 L HA -0.155 4.176 4.340 -0.014 0.000 0.212 790 L C 2.430 179.602 176.870 0.503 0.000 1.105 790 L CA 1.711 56.817 54.840 0.444 0.000 0.775 790 L CB -0.417 42.021 42.059 0.632 0.000 0.913 790 L HN 0.619 nan 8.230 nan 0.000 0.440 791 Y N 0.860 121.258 120.300 0.163 0.000 2.352 791 Y HA -0.238 4.305 4.550 -0.013 0.000 0.292 791 Y C 2.429 178.233 175.900 -0.161 0.000 1.136 791 Y CA 1.499 59.385 58.100 -0.356 0.000 1.227 791 Y CB -0.039 38.013 38.460 -0.680 0.000 0.991 791 Y HN 0.030 nan 8.280 nan 0.000 0.545 792 K N 0.045 120.449 120.400 0.007 0.000 2.442 792 K HA -0.126 4.186 4.320 -0.014 0.000 0.198 792 K C 0.355 176.925 176.600 -0.050 0.000 1.042 792 K CA 0.708 56.990 56.287 -0.009 0.000 0.958 792 K CB -0.099 32.450 32.500 0.082 0.000 0.766 792 K HN 0.052 nan 8.250 nan 0.000 0.474 793 N N 0.284 118.975 118.700 -0.015 0.000 3.012 793 N HA 0.135 4.867 4.740 -0.014 0.000 0.270 793 N C -2.435 173.079 175.510 0.007 0.000 1.469 793 N CA -2.210 50.846 53.050 0.009 0.000 0.928 793 N CB 0.976 39.505 38.487 0.071 0.000 1.219 793 N HN -0.186 nan 8.380 nan 0.000 0.492 794 P HA -0.258 nan 4.420 nan 0.000 0.219 794 P C 1.424 178.743 177.300 0.033 0.000 1.161 794 P CA 1.458 64.491 63.100 -0.112 0.000 0.909 794 P CB 0.301 31.909 31.700 -0.153 0.000 0.793 795 R N -0.472 120.043 120.500 0.024 0.000 2.091 795 R HA -0.182 4.149 4.340 -0.014 0.000 0.238 795 R C 2.018 178.365 176.300 0.078 0.000 1.136 795 R CA 1.494 57.620 56.100 0.045 0.000 0.959 795 R CB -0.301 30.015 30.300 0.027 0.000 0.856 795 R HN 0.146 nan 8.270 nan 0.000 0.437 796 E N -0.375 119.882 120.200 0.096 0.000 2.112 796 E HA -0.192 4.150 4.350 -0.014 0.000 0.190 796 E C 1.548 178.234 176.600 0.145 0.000 0.979 796 E CA 0.525 56.986 56.400 0.102 0.000 0.814 796 E CB -0.433 29.324 29.700 0.096 0.000 0.762 796 E HN 0.493 nan 8.360 nan 0.000 0.460 797 W N 2.190 123.496 121.300 0.010 0.000 2.335 797 W HA -0.187 4.464 4.660 -0.015 0.000 0.311 797 W C 1.525 178.062 176.519 0.031 0.000 1.213 797 W CA 2.149 59.518 57.345 0.040 0.000 1.274 797 W CB -0.331 29.131 29.460 0.004 0.000 1.148 797 W HN 0.038 nan 8.180 nan 0.000 0.498 798 T N 1.029 115.734 114.554 0.251 0.000 2.867 798 T HA -0.154 4.188 4.350 -0.014 0.000 0.268 798 T C 1.821 176.548 174.700 0.046 0.000 1.057 798 T CA 1.476 63.656 62.100 0.133 0.000 1.136 798 T CB -0.278 68.651 68.868 0.102 0.000 0.874 798 T HN 0.186 nan 8.240 nan 0.000 0.466 799 R N 0.341 120.869 120.500 0.047 0.000 2.090 799 R HA 0.171 4.502 4.340 -0.014 0.000 0.228 799 R C 2.478 178.777 176.300 -0.003 0.000 1.110 799 R CA 0.964 57.087 56.100 0.039 0.000 0.973 799 R CB -0.299 30.027 30.300 0.043 0.000 0.869 799 R HN 0.352 nan 8.270 nan 0.000 0.440 800 M N 0.479 120.041 119.600 -0.063 0.000 2.175 800 M HA -0.128 4.343 4.480 -0.014 0.000 0.264 800 M C 1.904 178.122 176.300 -0.136 0.000 1.063 800 M CA 1.279 56.502 55.300 -0.129 0.000 1.119 800 M CB 0.212 32.670 32.600 -0.237 0.000 1.377 800 M HN -0.024 nan 8.290 nan 0.000 0.415 801 V N 0.803 120.627 119.914 -0.151 0.000 2.295 801 V HA -0.305 3.807 4.120 -0.014 0.000 0.246 801 V C 2.166 178.254 176.094 -0.011 0.000 1.049 801 V CA 1.985 64.225 62.300 -0.099 0.000 1.024 801 V CB -0.561 31.231 31.823 -0.050 0.000 0.648 801 V HN 0.497 nan 8.190 nan 0.000 0.447 802 I N -0.559 120.029 120.570 0.029 0.000 2.423 802 I HA -0.269 3.893 4.170 -0.014 0.000 0.254 802 I C 2.634 178.802 176.117 0.085 0.000 1.151 802 I CA 1.373 62.735 61.300 0.103 0.000 1.421 802 I CB -0.287 37.820 38.000 0.179 0.000 1.079 802 I HN 0.184 nan 8.210 nan 0.000 0.431 803 R N 0.703 121.228 120.500 0.043 0.000 2.115 803 R HA -0.033 4.298 4.340 -0.014 0.000 0.226 803 R C 2.031 178.364 176.300 0.056 0.000 1.100 803 R CA 1.046 57.170 56.100 0.040 0.000 0.980 803 R CB -0.169 30.138 30.300 0.011 0.000 0.875 803 R HN 0.409 nan 8.270 nan 0.000 0.445 804 N N -0.168 118.560 118.700 0.046 0.000 2.132 804 N HA -0.076 4.656 4.740 -0.014 0.000 0.187 804 N C 1.794 177.364 175.510 0.101 0.000 1.038 804 N CA 1.409 54.509 53.050 0.083 0.000 0.846 804 N CB -0.023 38.484 38.487 0.032 0.000 1.012 804 N HN 0.123 nan 8.380 nan 0.000 0.429 805 I N 1.811 122.428 120.570 0.078 0.000 2.118 805 I HA -0.273 3.888 4.170 -0.014 0.000 0.241 805 I C 2.396 178.561 176.117 0.080 0.000 1.070 805 I CA 1.182 62.531 61.300 0.083 0.000 1.327 805 I CB -0.349 37.694 38.000 0.072 0.000 1.034 805 I HN 0.100 nan 8.210 nan 0.000 0.405 806 A N -1.179 121.687 122.820 0.077 0.000 2.125 806 A HA -0.184 4.128 4.320 -0.014 0.000 0.219 806 A C 2.201 179.817 177.584 0.054 0.000 1.156 806 A CA 2.119 54.189 52.037 0.056 0.000 0.671 806 A CB -0.584 18.454 19.000 0.063 0.000 0.794 806 A HN 0.412 nan 8.150 nan 0.000 0.459 807 T N -1.058 113.544 114.554 0.079 0.000 3.129 807 T HA 0.133 4.474 4.350 -0.014 0.000 0.267 807 T C 1.475 176.252 174.700 0.129 0.000 1.018 807 T CA 0.714 62.863 62.100 0.082 0.000 0.903 807 T CB -0.415 68.502 68.868 0.083 0.000 1.067 807 T HN 0.605 nan 8.240 nan 0.000 0.549 808 S N -0.821 114.977 115.700 0.165 0.000 2.558 808 S HA 0.179 4.641 4.470 -0.014 0.000 0.217 808 S C 2.307 177.016 174.600 0.181 0.000 0.975 808 S CA 0.565 58.936 58.200 0.285 0.000 0.912 808 S CB -0.383 62.979 63.200 0.270 0.000 0.776 808 S HN 0.443 nan 8.310 nan 0.000 0.526 809 G N 2.990 111.831 108.800 0.069 0.000 2.606 809 G HA2 -0.367 3.585 3.960 -0.014 0.000 0.221 809 G HA3 -0.367 3.585 3.960 -0.014 0.000 0.221 809 G C 1.331 176.187 174.900 -0.073 0.000 1.152 809 G CA 1.249 46.361 45.100 0.020 0.000 0.765 809 G HN 0.578 nan 8.290 nan 0.000 0.595 810 K N -0.000 120.245 120.400 -0.259 0.000 2.281 810 K HA -0.060 4.252 4.320 -0.014 0.000 0.203 810 K C 1.123 177.415 176.600 -0.513 0.000 1.046 810 K CA 0.703 56.711 56.287 -0.464 0.000 0.938 810 K CB -0.283 31.779 32.500 -0.729 0.000 0.737 810 K HN 0.448 nan 8.250 nan 0.000 0.458 811 F N 1.020 121.002 119.950 0.052 0.000 2.701 811 F HA 0.098 4.617 4.527 -0.015 0.000 0.295 811 F C 0.750 176.597 175.800 0.078 0.000 1.165 811 F CA -0.629 57.409 58.000 0.063 0.000 1.399 811 F CB 0.434 39.469 39.000 0.058 0.000 0.996 811 F HN -0.121 nan 8.300 nan 0.000 0.513 812 S N -0.030 115.762 115.700 0.154 0.000 2.525 812 S HA 0.144 4.606 4.470 -0.014 0.000 0.278 812 S C 1.323 176.010 174.600 0.145 0.000 1.234 812 S CA -0.395 57.892 58.200 0.145 0.000 1.058 812 S CB 1.149 64.405 63.200 0.093 0.000 0.983 812 S HN 0.290 nan 8.310 nan 0.000 0.495 813 S N 3.150 118.960 115.700 0.183 0.000 2.500 813 S HA -0.095 4.366 4.470 -0.014 0.000 0.239 813 S C 0.889 175.543 174.600 0.090 0.000 0.989 813 S CA 0.836 59.161 58.200 0.208 0.000 0.951 813 S CB -0.416 62.974 63.200 0.316 0.000 0.759 813 S HN 0.799 nan 8.310 nan 0.000 0.523 814 D N 1.666 122.106 120.400 0.067 0.000 2.144 814 D HA -0.048 4.584 4.640 -0.014 0.000 0.200 814 D C 2.097 178.404 176.300 0.012 0.000 0.978 814 D CA 0.661 54.678 54.000 0.029 0.000 0.833 814 D CB -0.287 40.528 40.800 0.025 0.000 0.961 814 D HN 0.283 nan 8.370 nan 0.000 0.470 815 R N 0.758 121.269 120.500 0.019 0.000 2.066 815 R HA -0.087 4.245 4.340 -0.014 0.000 0.232 815 R C 1.879 178.176 176.300 -0.005 0.000 1.131 815 R CA 1.422 57.520 56.100 -0.004 0.000 0.955 815 R CB -0.690 29.598 30.300 -0.020 0.000 0.851 815 R HN 0.124 nan 8.270 nan 0.000 0.432 816 T N 2.295 116.868 114.554 0.032 0.000 2.652 816 T HA -0.137 4.205 4.350 -0.014 0.000 0.267 816 T C 1.958 176.668 174.700 0.017 0.000 1.039 816 T CA 1.430 63.567 62.100 0.061 0.000 1.153 816 T CB -0.175 68.799 68.868 0.176 0.000 0.863 816 T HN 0.101 nan 8.240 nan 0.000 0.428 817 I N 1.912 122.410 120.570 -0.121 0.000 2.286 817 I HA -0.117 4.044 4.170 -0.014 0.000 0.248 817 I C 2.929 179.008 176.117 -0.063 0.000 1.115 817 I CA 0.983 62.178 61.300 -0.174 0.000 1.392 817 I CB -1.725 36.181 38.000 -0.157 0.000 1.065 817 I HN 0.211 nan 8.210 nan 0.000 0.418 818 A N -0.068 122.732 122.820 -0.035 0.000 1.972 818 A HA -0.233 4.078 4.320 -0.014 0.000 0.219 818 A C 2.276 179.822 177.584 -0.062 0.000 1.169 818 A CA 1.427 53.449 52.037 -0.024 0.000 0.635 818 A CB -0.535 18.456 19.000 -0.015 0.000 0.810 818 A HN 0.511 nan 8.150 nan 0.000 0.446 819 Q N -1.985 117.758 119.800 -0.094 0.000 2.083 819 Q HA -0.136 4.195 4.340 -0.014 0.000 0.198 819 Q C 1.894 177.728 176.000 -0.278 0.000 0.969 819 Q CA 1.486 57.192 55.803 -0.163 0.000 0.838 819 Q CB -0.243 28.386 28.738 -0.181 0.000 0.900 819 Q HN 0.820 nan 8.270 nan 0.000 0.436 820 Y N 0.500 120.517 120.300 -0.473 0.000 2.097 820 Y HA -0.295 4.246 4.550 -0.014 0.000 0.282 820 Y C 2.439 177.789 175.900 -0.918 0.000 1.152 820 Y CA 1.302 58.876 58.100 -0.875 0.000 1.136 820 Y CB -0.501 37.148 38.460 -1.351 0.000 0.975 820 Y HN 0.161 nan 8.280 nan 0.000 0.498 821 A N 0.511 123.106 122.820 -0.375 0.000 1.869 821 A HA -0.285 4.027 4.320 -0.014 0.000 0.218 821 A C 2.264 179.860 177.584 0.020 0.000 1.203 821 A CA 2.456 54.516 52.037 0.038 0.000 0.638 821 A CB -0.693 18.392 19.000 0.143 0.000 0.831 821 A HN 0.460 nan 8.150 nan 0.000 0.450 822 R N -0.732 119.743 120.500 -0.041 0.000 2.062 822 R HA -0.042 4.290 4.340 -0.014 0.000 0.226 822 R C 1.931 178.205 176.300 -0.044 0.000 1.125 822 R CA 1.465 57.552 56.100 -0.023 0.000 0.966 822 R CB -0.294 29.988 30.300 -0.029 0.000 0.861 822 R HN 0.671 nan 8.270 nan 0.000 0.433 823 E N -0.193 119.940 120.200 -0.112 0.000 2.442 823 E HA 0.058 4.399 4.350 -0.014 0.000 0.195 823 E C 1.410 177.953 176.600 -0.094 0.000 1.030 823 E CA 0.546 56.884 56.400 -0.104 0.000 0.869 823 E CB 0.433 30.045 29.700 -0.146 0.000 0.857 823 E HN 0.367 nan 8.360 nan 0.000 0.505 824 I N -1.629 118.852 120.570 -0.148 0.000 3.878 824 I HA 0.027 4.188 4.170 -0.014 0.000 0.273 824 I C 1.325 177.554 176.117 0.187 0.000 1.165 824 I CA -0.130 61.137 61.300 -0.055 0.000 1.360 824 I CB 0.115 37.938 38.000 -0.294 0.000 1.539 824 I HN 0.098 nan 8.210 nan 0.000 0.447 825 W N 1.829 123.220 121.300 0.151 0.000 2.518 825 W HA 0.286 4.938 4.660 -0.014 0.000 0.273 825 W C 1.563 178.119 176.519 0.062 0.000 1.247 825 W CA 1.060 58.475 57.345 0.117 0.000 1.288 825 W CB -0.997 28.519 29.460 0.093 0.000 1.107 825 W HN 0.343 nan 8.180 nan 0.000 0.586 826 G N 0.801 109.739 108.800 0.230 0.000 2.212 826 G HA2 -0.090 3.862 3.960 -0.014 0.000 0.255 826 G HA3 -0.090 3.862 3.960 -0.014 0.000 0.255 826 G C -0.350 174.626 174.900 0.126 0.000 1.062 826 G CA 0.125 45.304 45.100 0.133 0.000 0.815 826 G HN 0.424 nan 8.290 nan 0.000 0.497 827 V N -4.329 115.678 119.914 0.154 0.000 3.040 827 V HA 0.932 5.044 4.120 -0.014 0.000 0.312 827 V C -0.458 175.695 176.094 0.098 0.000 1.115 827 V CA -1.645 60.728 62.300 0.121 0.000 0.998 827 V CB 2.364 34.272 31.823 0.141 0.000 1.042 827 V HN 0.117 nan 8.190 nan 0.000 0.433 828 E N 3.491 123.733 120.200 0.070 0.000 2.133 828 E HA 0.527 4.868 4.350 -0.014 0.000 0.274 828 E C -2.517 174.117 176.600 0.057 0.000 0.930 828 E CA -1.767 54.666 56.400 0.056 0.000 0.770 828 E CB 1.867 31.593 29.700 0.042 0.000 1.104 828 E HN 0.754 nan 8.360 nan 0.000 0.403 829 P HA 0.060 nan 4.420 nan 0.000 0.271 829 P C -0.470 176.856 177.300 0.044 0.000 1.233 829 P CA -0.234 62.898 63.100 0.052 0.000 0.789 829 P CB 0.776 32.503 31.700 0.044 0.000 0.951 830 S N 0.591 116.318 115.700 0.044 0.000 2.566 830 S HA 0.338 4.799 4.470 -0.014 0.000 0.273 830 S C -0.051 174.571 174.600 0.036 0.000 1.157 830 S CA -0.885 57.339 58.200 0.040 0.000 0.938 830 S CB 1.221 64.449 63.200 0.047 0.000 1.087 830 S HN 0.303 nan 8.310 nan 0.000 0.474 831 R N 2.575 123.093 120.500 0.031 0.000 2.702 831 R HA 0.216 4.548 4.340 -0.014 0.000 0.314 831 R C -0.224 176.087 176.300 0.019 0.000 1.152 831 R CA -0.097 56.020 56.100 0.029 0.000 1.097 831 R CB 0.202 30.520 30.300 0.031 0.000 1.343 831 R HN 0.660 nan 8.270 nan 0.000 0.575 832 Q N 1.010 120.820 119.800 0.016 0.000 2.294 832 Q HA 0.190 4.522 4.340 -0.014 0.000 0.257 832 Q C -0.384 175.607 176.000 -0.014 0.000 0.955 832 Q CA -0.390 55.416 55.803 0.004 0.000 0.936 832 Q CB 1.296 30.041 28.738 0.011 0.000 1.188 832 Q HN -0.113 nan 8.270 nan 0.000 0.420 833 R N 1.812 122.297 120.500 -0.024 0.000 2.484 833 R HA 0.032 4.363 4.340 -0.014 0.000 0.293 833 R C -0.534 175.730 176.300 -0.061 0.000 1.023 833 R CA -0.137 55.937 56.100 -0.043 0.000 1.037 833 R CB 0.088 30.362 30.300 -0.043 0.000 0.951 833 R HN 0.416 nan 8.270 nan 0.000 0.418 834 L N 6.784 127.956 121.223 -0.087 0.000 2.456 834 L HA 0.189 4.521 4.340 -0.014 0.000 0.272 834 L C -1.658 175.153 176.870 -0.098 0.000 1.189 834 L CA -1.819 52.940 54.840 -0.136 0.000 0.846 834 L CB 0.495 42.448 42.059 -0.177 0.000 1.111 834 L HN 0.612 nan 8.230 nan 0.000 0.475 835 P HA 0.003 nan 4.420 nan 0.000 0.208 835 P C 0.050 177.326 177.300 -0.039 0.000 1.341 835 P CA 0.723 63.792 63.100 -0.051 0.000 1.235 835 P CB -0.713 30.966 31.700 -0.035 0.000 1.764 836 A N 4.504 127.302 122.820 -0.037 0.000 6.759 836 A HA -0.176 4.135 4.320 -0.014 0.000 0.308 836 A C -1.327 176.246 177.584 -0.018 0.000 2.086 836 A CA 0.500 52.522 52.037 -0.025 0.000 1.123 836 A CB -1.863 17.129 19.000 -0.013 0.000 1.078 836 A HN 0.368 nan 8.150 nan 0.000 0.457 837 P HA 0.178 nan 4.420 nan 0.000 0.252 837 P C 0.098 177.407 177.300 0.015 0.000 1.211 837 P CA 0.560 63.666 63.100 0.011 0.000 0.824 837 P CB -0.365 31.353 31.700 0.030 0.000 1.077 838 D N 1.827 122.234 120.400 0.012 0.000 5.561 838 D HA -0.192 4.440 4.640 -0.014 0.000 0.166 838 D C 1.467 177.773 176.300 0.010 0.000 1.127 838 D CA 0.774 54.781 54.000 0.011 0.000 0.720 838 D CB 0.190 40.994 40.800 0.007 0.000 1.322 838 D HN 0.096 nan 8.370 nan 0.000 0.745 839 E N 2.974 123.180 120.200 0.010 0.000 2.840 839 E HA -0.444 3.897 4.350 -0.014 0.000 0.222 839 E C 0.171 176.774 176.600 0.005 0.000 0.868 839 E CA 2.751 59.155 56.400 0.006 0.000 1.266 839 E CB -0.241 29.460 29.700 0.002 0.000 1.318 839 E HN 0.888 nan 8.360 nan 0.000 0.486 840 K N -0.528 119.875 120.400 0.004 0.000 7.396 840 K HA -0.166 4.146 4.320 -0.014 0.000 0.647 840 K C -0.638 175.962 176.600 0.000 0.000 2.584 840 K CA 1.241 57.531 56.287 0.004 0.000 1.938 840 K CB -0.662 31.843 32.500 0.008 0.000 1.962 840 K HN 0.326 nan 8.250 nan 0.000 0.295 841 I N 3.528 124.098 120.570 -0.001 0.000 2.700 841 I HA 0.299 4.461 4.170 -0.014 0.000 0.272 841 I C -1.949 174.165 176.117 -0.004 0.000 1.293 841 I CA -1.587 59.710 61.300 -0.005 0.000 0.989 841 I CB 0.362 38.356 38.000 -0.009 0.000 1.301 841 I HN 0.937 nan 8.210 nan 0.000 0.525 842 P HA 0.000 nan 4.420 nan 0.000 0.216 842 P CA 0.000 63.101 63.100 0.001 0.000 0.800 842 P CB 0.000 31.705 31.700 0.008 0.000 0.726