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 2prj_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 0.000 176.105 176.117 -0.020 0.000 1.063 13 I CA 0.000 61.279 61.300 -0.035 0.000 1.566 13 I CB 0.000 37.970 38.000 -0.050 0.000 1.214 14 S N -0.423 115.270 115.700 -0.011 0.000 2.616 14 S HA 0.159 4.621 4.470 -0.013 0.000 0.272 14 S C -1.649 172.953 174.600 0.003 0.000 0.994 14 S CA 0.099 58.300 58.200 0.001 0.000 1.002 14 S CB 0.863 64.064 63.200 0.001 0.000 1.269 14 S HN 0.156 nan 8.310 nan 0.000 0.466 15 V N 4.147 124.070 119.914 0.014 0.000 2.847 15 V HA 0.412 4.524 4.120 -0.013 0.000 0.364 15 V C 0.826 176.927 176.094 0.012 0.000 1.374 15 V CA -0.081 62.228 62.300 0.015 0.000 1.542 15 V CB -0.858 30.982 31.823 0.028 0.000 1.471 15 V HN 0.590 nan 8.190 nan 0.000 0.557 16 R N 2.075 122.576 120.500 0.001 0.000 2.449 16 R HA 0.419 4.751 4.340 -0.013 0.000 0.262 16 R C 0.923 177.214 176.300 -0.015 0.000 1.006 16 R CA 0.558 56.656 56.100 -0.003 0.000 1.104 16 R CB 0.074 30.368 30.300 -0.010 0.000 1.206 16 R HN 0.706 nan 8.270 nan 0.000 0.538 17 G N 0.734 109.525 108.800 -0.015 0.000 2.610 17 G HA2 -0.211 3.742 3.960 -0.013 0.000 0.304 17 G HA3 -0.211 3.742 3.960 -0.013 0.000 0.304 17 G C -1.105 173.780 174.900 -0.025 0.000 1.309 17 G CA -1.046 44.038 45.100 -0.027 0.000 0.906 17 G HN 0.039 nan 8.290 nan 0.000 0.521 18 L N 0.614 121.820 121.223 -0.029 0.000 2.334 18 L HA 0.712 5.045 4.340 -0.013 0.000 0.277 18 L C 1.281 178.136 176.870 -0.025 0.000 1.075 18 L CA 0.115 54.941 54.840 -0.024 0.000 0.804 18 L CB 1.159 43.205 42.059 -0.021 0.000 1.174 18 L HN 1.531 nan 8.230 nan 0.000 0.438 19 A N 2.749 125.556 122.820 -0.022 0.000 3.175 19 A HA 0.557 4.869 4.320 -0.013 0.000 0.289 19 A C 0.831 178.408 177.584 -0.012 0.000 1.429 19 A CA -0.276 51.749 52.037 -0.020 0.000 1.155 19 A CB -0.774 18.212 19.000 -0.025 0.000 1.169 19 A HN 0.789 nan 8.150 nan 0.000 0.574 20 G N -0.283 108.511 108.800 -0.010 0.000 2.562 20 G HA2 0.291 4.244 3.960 -0.013 0.000 0.233 20 G HA3 0.291 4.244 3.960 -0.013 0.000 0.233 20 G C 1.024 175.926 174.900 0.004 0.000 1.266 20 G CA 0.091 45.189 45.100 -0.003 0.000 0.852 20 G HN 0.418 nan 8.290 nan 0.000 0.581 21 V N 1.828 121.746 119.914 0.006 0.000 2.237 21 V HA -0.154 3.959 4.120 -0.013 0.000 0.245 21 V C 2.688 178.792 176.094 0.017 0.000 1.046 21 V CA 2.367 64.673 62.300 0.011 0.000 1.007 21 V CB -0.765 31.064 31.823 0.010 0.000 0.638 21 V HN 0.757 nan 8.190 nan 0.000 0.445 22 E N 0.384 120.594 120.200 0.018 0.000 2.110 22 E HA -0.188 4.154 4.350 -0.013 0.000 0.193 22 E C 2.058 178.679 176.600 0.035 0.000 0.988 22 E CA 1.570 57.985 56.400 0.025 0.000 0.804 22 E CB -0.314 29.400 29.700 0.023 0.000 0.745 22 E HN 0.635 nan 8.360 nan 0.000 0.458 23 N N -1.213 117.507 118.700 0.033 0.000 2.354 23 N HA -0.076 4.656 4.740 -0.013 0.000 0.179 23 N C 1.386 176.922 175.510 0.044 0.000 1.021 23 N CA 0.487 53.563 53.050 0.044 0.000 0.887 23 N CB 0.302 38.803 38.487 0.025 0.000 0.974 23 N HN -0.043 nan 8.380 nan 0.000 0.437 24 V N -0.043 119.888 119.914 0.029 0.000 2.453 24 V HA -0.172 3.940 4.120 -0.013 0.000 0.247 24 V C 1.924 178.041 176.094 0.039 0.000 1.048 24 V CA 1.642 63.959 62.300 0.028 0.000 1.049 24 V CB -0.634 31.200 31.823 0.018 0.000 0.672 24 V HN 0.396 nan 8.190 nan 0.000 0.457 25 T N -0.365 114.212 114.554 0.039 0.000 2.737 25 T HA -0.212 4.131 4.350 -0.013 0.000 0.265 25 T C 1.898 176.633 174.700 0.060 0.000 1.038 25 T CA 1.750 63.874 62.100 0.041 0.000 1.144 25 T CB -0.171 68.717 68.868 0.034 0.000 0.866 25 T HN 0.506 nan 8.240 nan 0.000 0.434 26 E N 0.790 121.032 120.200 0.070 0.000 2.077 26 E HA -0.105 4.237 4.350 -0.013 0.000 0.193 26 E C 1.942 178.620 176.600 0.131 0.000 0.989 26 E CA 0.812 57.267 56.400 0.092 0.000 0.800 26 E CB -0.499 29.263 29.700 0.103 0.000 0.746 26 E HN 0.155 nan 8.360 nan 0.000 0.452 27 L N 0.975 122.283 121.223 0.142 0.000 1.989 27 L HA -0.145 4.187 4.340 -0.013 0.000 0.211 27 L C 2.180 179.163 176.870 0.188 0.000 1.071 27 L CA 1.889 56.840 54.840 0.185 0.000 0.749 27 L CB -0.910 41.226 42.059 0.130 0.000 0.890 27 L HN 0.110 nan 8.230 nan 0.000 0.431 28 K N -0.151 120.319 120.400 0.118 0.000 2.074 28 K HA -0.235 4.078 4.320 -0.013 0.000 0.209 28 K C 1.951 178.659 176.600 0.181 0.000 1.048 28 K CA 2.044 58.396 56.287 0.109 0.000 0.926 28 K CB -0.121 32.402 32.500 0.039 0.000 0.713 28 K HN 0.446 nan 8.250 nan 0.000 0.444 29 K N 0.127 120.610 120.400 0.139 0.000 2.155 29 K HA -0.026 4.286 4.320 -0.013 0.000 0.203 29 K C 1.650 178.338 176.600 0.147 0.000 1.052 29 K CA 1.206 57.569 56.287 0.127 0.000 0.948 29 K CB -0.123 32.425 32.500 0.079 0.000 0.728 29 K HN 0.062 nan 8.250 nan 0.000 0.448 30 N N 0.661 119.461 118.700 0.166 0.000 2.270 30 N HA -0.107 4.625 4.740 -0.013 0.000 0.181 30 N C 1.615 177.281 175.510 0.261 0.000 1.016 30 N CA 0.942 54.082 53.050 0.149 0.000 0.870 30 N CB -0.186 38.405 38.487 0.174 0.000 0.979 30 N HN 0.179 nan 8.380 nan 0.000 0.431 31 F N 2.692 122.751 119.950 0.182 0.000 2.126 31 F HA -0.113 4.407 4.527 -0.012 0.000 0.299 31 F C 2.033 177.948 175.800 0.192 0.000 1.096 31 F CA 1.322 59.448 58.000 0.210 0.000 1.255 31 F CB -0.174 38.917 39.000 0.151 0.000 0.997 31 F HN -0.032 nan 8.300 nan 0.000 0.479 32 N N 0.366 119.274 118.700 0.347 0.000 2.188 32 N HA -0.146 4.586 4.740 -0.013 0.000 0.184 32 N C 2.104 177.688 175.510 0.122 0.000 1.018 32 N CA 0.773 53.951 53.050 0.213 0.000 0.858 32 N CB -0.486 38.119 38.487 0.197 0.000 0.989 32 N HN 0.321 nan 8.380 nan 0.000 0.426 33 R N 0.661 121.233 120.500 0.119 0.000 2.097 33 R HA -0.137 4.196 4.340 -0.013 0.000 0.236 33 R C 1.869 178.249 176.300 0.133 0.000 1.135 33 R CA 1.634 57.831 56.100 0.162 0.000 0.934 33 R CB -0.542 29.741 30.300 -0.029 0.000 0.846 33 R HN 0.454 nan 8.270 nan 0.000 0.431 34 H N -0.244 118.873 119.070 0.078 0.000 2.387 34 H HA -0.162 4.386 4.556 -0.013 0.000 0.299 34 H C 1.885 177.149 175.328 -0.106 0.000 1.099 34 H CA 1.540 57.564 56.048 -0.040 0.000 1.315 34 H CB -0.043 29.658 29.762 -0.102 0.000 1.380 34 H HN 0.105 nan 8.280 nan 0.000 0.513 35 L N -0.114 121.094 121.223 -0.025 0.000 2.083 35 L HA -0.169 4.163 4.340 -0.013 0.000 0.209 35 L C 2.116 178.963 176.870 -0.038 0.000 1.083 35 L CA 1.797 56.585 54.840 -0.086 0.000 0.752 35 L CB -0.401 41.597 42.059 -0.101 0.000 0.899 35 L HN 0.286 nan 8.230 nan 0.000 0.433 36 H N -1.680 117.301 119.070 -0.148 0.000 2.273 36 H HA -0.012 4.536 4.556 -0.013 0.000 0.311 36 H C 1.822 176.936 175.328 -0.357 0.000 1.057 36 H CA 2.121 57.983 56.048 -0.310 0.000 1.360 36 H CB -0.361 29.107 29.762 -0.490 0.000 1.414 36 H HN 0.245 nan 8.280 nan 0.000 0.516 37 F N -0.176 119.770 119.950 -0.006 0.000 2.234 37 F HA -0.075 4.444 4.527 -0.013 0.000 0.299 37 F C 2.547 178.273 175.800 -0.124 0.000 1.087 37 F CA 1.531 59.473 58.000 -0.096 0.000 1.340 37 F CB -0.446 38.523 39.000 -0.051 0.000 1.031 37 F HN 0.209 nan 8.300 nan 0.000 0.500 38 T N -0.655 113.926 114.554 0.045 0.000 2.983 38 T HA 0.046 4.388 4.350 -0.013 0.000 0.250 38 T C 1.684 176.288 174.700 -0.160 0.000 1.037 38 T CA 0.584 62.638 62.100 -0.077 0.000 1.142 38 T CB -0.107 68.677 68.868 -0.141 0.000 0.876 38 T HN -0.047 nan 8.240 nan 0.000 0.455 39 L N 1.024 122.155 121.223 -0.152 0.000 2.477 39 L HA 0.293 4.626 4.340 -0.013 0.000 0.220 39 L C 0.599 177.374 176.870 -0.159 0.000 1.106 39 L CA 0.347 55.087 54.840 -0.167 0.000 0.851 39 L CB -0.581 41.389 42.059 -0.148 0.000 0.994 39 L HN 0.041 nan 8.230 nan 0.000 0.462 40 V N 0.384 120.190 119.914 -0.181 0.000 6.016 40 V HA -0.288 3.825 4.120 -0.013 0.000 0.265 40 V C 0.394 176.379 176.094 -0.182 0.000 0.621 40 V CA 0.774 62.939 62.300 -0.225 0.000 0.592 40 V CB -2.079 29.634 31.823 -0.183 0.000 0.298 40 V HN 0.401 nan 8.190 nan 0.000 0.615 41 K N 1.407 121.709 120.400 -0.163 0.000 2.495 41 K HA 0.688 5.001 4.320 -0.013 0.000 0.268 41 K C -0.782 175.786 176.600 -0.055 0.000 1.008 41 K CA -0.561 55.662 56.287 -0.107 0.000 0.882 41 K CB 2.860 35.296 32.500 -0.107 0.000 1.443 41 K HN 0.619 nan 8.250 nan 0.000 0.447 42 D N 0.415 120.804 120.400 -0.020 0.000 2.738 42 D HA 0.269 4.901 4.640 -0.013 0.000 0.237 42 D C 0.569 176.897 176.300 0.046 0.000 1.123 42 D CA -0.589 53.432 54.000 0.035 0.000 0.856 42 D CB 1.585 42.405 40.800 0.032 0.000 1.552 42 D HN 0.190 nan 8.370 nan 0.000 0.480 43 R N 1.312 121.870 120.500 0.096 0.000 2.228 43 R HA -0.185 4.148 4.340 -0.013 0.000 0.264 43 R C 1.110 177.481 176.300 0.118 0.000 1.179 43 R CA 1.139 57.332 56.100 0.156 0.000 0.998 43 R CB -0.792 29.604 30.300 0.159 0.000 0.885 43 R HN 0.612 nan 8.270 nan 0.000 0.466 44 N N 0.474 119.214 118.700 0.068 0.000 2.512 44 N HA -0.064 4.668 4.740 -0.013 0.000 0.183 44 N C 1.246 176.776 175.510 0.032 0.000 1.073 44 N CA 1.297 54.377 53.050 0.051 0.000 0.911 44 N CB 0.429 38.936 38.487 0.034 0.000 0.964 44 N HN 0.205 nan 8.380 nan 0.000 0.447 45 V N -3.021 116.899 119.914 0.011 0.000 3.398 45 V HA 0.445 4.557 4.120 -0.013 0.000 0.298 45 V C 0.688 176.751 176.094 -0.052 0.000 1.496 45 V CA -0.615 61.678 62.300 -0.012 0.000 1.044 45 V CB -0.111 31.700 31.823 -0.020 0.000 0.880 45 V HN 0.015 nan 8.190 nan 0.000 0.443 46 A N 2.159 124.925 122.820 -0.090 0.000 2.450 46 A HA 0.601 4.913 4.320 -0.013 0.000 0.255 46 A C 0.709 178.108 177.584 -0.309 0.000 1.096 46 A CA 0.840 52.705 52.037 -0.286 0.000 0.778 46 A CB -0.027 18.678 19.000 -0.492 0.000 1.031 46 A HN 0.752 nan 8.150 nan 0.000 0.494 47 T N 0.135 114.513 114.554 -0.294 0.000 2.948 47 T HA 0.599 4.942 4.350 -0.013 0.000 0.285 47 T C -2.129 172.504 174.700 -0.113 0.000 1.019 47 T CA -1.839 60.189 62.100 -0.120 0.000 1.013 47 T CB 1.333 70.186 68.868 -0.026 0.000 1.117 47 T HN 0.229 nan 8.240 nan 0.000 0.533 48 P HA -0.118 nan 4.420 nan 0.000 0.217 48 P C 1.557 178.978 177.300 0.202 0.000 1.151 48 P CA 1.054 64.304 63.100 0.251 0.000 0.849 48 P CB 0.039 31.844 31.700 0.175 0.000 0.787 49 R N -0.135 120.436 120.500 0.118 0.000 2.092 49 R HA -0.129 4.204 4.340 -0.013 0.000 0.231 49 R C 1.669 178.148 176.300 0.298 0.000 1.119 49 R CA 1.693 57.903 56.100 0.183 0.000 0.970 49 R CB -0.626 29.736 30.300 0.104 0.000 0.864 49 R HN 0.087 nan 8.270 nan 0.000 0.440 50 D N -0.345 120.114 120.400 0.098 0.000 2.117 50 D HA -0.176 4.457 4.640 -0.013 0.000 0.198 50 D C 1.700 178.021 176.300 0.034 0.000 0.982 50 D CA 1.264 55.274 54.000 0.016 0.000 0.828 50 D CB -0.324 40.338 40.800 -0.231 0.000 0.967 50 D HN 0.282 nan 8.370 nan 0.000 0.464 51 Y N 0.202 120.611 120.300 0.182 0.000 2.224 51 Y HA -0.217 4.325 4.550 -0.012 0.000 0.289 51 Y C 2.334 178.376 175.900 0.236 0.000 1.146 51 Y CA 0.379 58.629 58.100 0.249 0.000 1.182 51 Y CB -1.127 37.543 38.460 0.349 0.000 0.983 51 Y HN 0.099 nan 8.280 nan 0.000 0.524 52 Y N -0.571 119.879 120.300 0.250 0.000 2.181 52 Y HA -0.266 4.276 4.550 -0.013 0.000 0.288 52 Y C 1.871 177.754 175.900 -0.029 0.000 1.146 52 Y CA 1.181 59.323 58.100 0.070 0.000 1.164 52 Y CB -1.088 37.303 38.460 -0.115 0.000 0.982 52 Y HN 0.028 nan 8.280 nan 0.000 0.515 53 F N 0.243 119.916 119.950 -0.463 0.000 2.186 53 F HA -0.034 4.486 4.527 -0.012 0.000 0.299 53 F C 2.649 178.277 175.800 -0.287 0.000 1.090 53 F CA 1.279 58.964 58.000 -0.525 0.000 1.307 53 F CB -1.073 37.811 39.000 -0.194 0.000 1.019 53 F HN 0.184 nan 8.300 nan 0.000 0.489 54 A N -0.139 122.634 122.820 -0.078 0.000 1.877 54 A HA -0.182 4.131 4.320 -0.013 0.000 0.216 54 A C 2.122 179.620 177.584 -0.143 0.000 1.186 54 A CA 1.667 53.545 52.037 -0.266 0.000 0.620 54 A CB -1.095 17.390 19.000 -0.859 0.000 0.822 54 A HN 0.331 nan 8.150 nan 0.000 0.443 55 L N -0.231 121.024 121.223 0.053 0.000 1.994 55 L HA -0.036 4.296 4.340 -0.013 0.000 0.208 55 L C 2.731 179.618 176.870 0.028 0.000 1.071 55 L CA 2.249 57.241 54.840 0.253 0.000 0.745 55 L CB -0.982 41.282 42.059 0.341 0.000 0.892 55 L HN 0.354 nan 8.230 nan 0.000 0.431 56 A N -1.212 121.462 122.820 -0.244 0.000 1.892 56 A HA -0.321 3.991 4.320 -0.013 0.000 0.218 56 A C 2.171 179.449 177.584 -0.510 0.000 1.188 56 A CA 2.244 54.029 52.037 -0.420 0.000 0.631 56 A CB -1.184 17.240 19.000 -0.959 0.000 0.822 56 A HN 0.705 nan 8.150 nan 0.000 0.447 57 H N -0.967 117.814 119.070 -0.481 0.000 2.389 57 H HA -0.045 4.504 4.556 -0.012 0.000 0.299 57 H C 2.355 177.416 175.328 -0.444 0.000 1.081 57 H CA 1.911 57.589 56.048 -0.616 0.000 1.345 57 H CB -0.099 29.048 29.762 -1.025 0.000 1.393 57 H HN 0.488 nan 8.280 nan 0.000 0.520 58 T N -0.364 114.140 114.554 -0.083 0.000 2.746 58 T HA -0.131 4.212 4.350 -0.013 0.000 0.267 58 T C 2.241 177.116 174.700 0.291 0.000 1.039 58 T CA 1.294 63.532 62.100 0.230 0.000 1.142 58 T CB -0.374 68.704 68.868 0.349 0.000 0.866 58 T HN 0.096 nan 8.240 nan 0.000 0.444 59 V N 1.661 121.723 119.914 0.246 0.000 2.358 59 V HA -0.114 3.999 4.120 -0.013 0.000 0.246 59 V C 2.640 178.930 176.094 0.327 0.000 1.047 59 V CA 1.540 64.033 62.300 0.321 0.000 1.035 59 V CB -0.626 31.381 31.823 0.306 0.000 0.658 59 V HN 0.383 nan 8.190 nan 0.000 0.452 60 R N 0.138 120.779 120.500 0.235 0.000 2.127 60 R HA -0.212 4.120 4.340 -0.013 0.000 0.238 60 R C 1.892 178.298 176.300 0.177 0.000 1.134 60 R CA 1.922 58.159 56.100 0.228 0.000 0.975 60 R CB -0.407 29.871 30.300 -0.037 0.000 0.865 60 R HN 0.463 nan 8.270 nan 0.000 0.447 61 D N 0.043 120.527 120.400 0.140 0.000 2.123 61 D HA -0.163 4.470 4.640 -0.013 0.000 0.196 61 D C 1.688 177.997 176.300 0.016 0.000 0.992 61 D CA 1.124 55.169 54.000 0.075 0.000 0.833 61 D CB -0.369 40.454 40.800 0.038 0.000 0.954 61 D HN 0.443 nan 8.370 nan 0.000 0.455 62 H N -0.213 118.927 119.070 0.116 0.000 2.521 62 H HA -0.011 4.538 4.556 -0.012 0.000 0.286 62 H C 1.921 177.294 175.328 0.075 0.000 1.034 62 H CA 0.653 56.753 56.048 0.086 0.000 1.278 62 H CB 0.331 30.136 29.762 0.072 0.000 1.386 62 H HN 0.277 nan 8.280 nan 0.000 0.567 63 L N -1.494 119.838 121.223 0.181 0.000 2.766 63 L HA 0.175 4.508 4.340 -0.013 0.000 0.242 63 L C 1.878 178.857 176.870 0.181 0.000 1.136 63 L CA -0.009 54.907 54.840 0.126 0.000 0.933 63 L CB -0.014 42.073 42.059 0.046 0.000 1.241 63 L HN -0.125 nan 8.230 nan 0.000 0.522 64 V N -2.099 117.944 119.914 0.215 0.000 2.453 64 V HA 0.085 4.197 4.120 -0.013 0.000 0.247 64 V C 2.519 178.741 176.094 0.213 0.000 1.048 64 V CA 1.555 64.036 62.300 0.301 0.000 1.049 64 V CB -1.692 30.268 31.823 0.228 0.000 0.672 64 V HN 0.359 nan 8.190 nan 0.000 0.457 65 G N 0.284 109.162 108.800 0.130 0.000 2.446 65 G HA2 -0.234 3.718 3.960 -0.013 0.000 0.217 65 G HA3 -0.234 3.718 3.960 -0.013 0.000 0.217 65 G C 1.809 176.763 174.900 0.090 0.000 1.168 65 G CA 0.995 46.145 45.100 0.083 0.000 0.771 65 G HN 0.491 nan 8.290 nan 0.000 0.551 66 R N -1.485 119.077 120.500 0.103 0.000 2.092 66 R HA -0.051 4.282 4.340 -0.013 0.000 0.231 66 R C 2.250 178.634 176.300 0.140 0.000 1.119 66 R CA 0.963 57.110 56.100 0.078 0.000 0.970 66 R CB -0.327 30.001 30.300 0.047 0.000 0.864 66 R HN 0.476 nan 8.270 nan 0.000 0.440 67 W N 1.471 122.755 121.300 -0.027 0.000 2.355 67 W HA -0.103 4.550 4.660 -0.012 0.000 0.309 67 W C 1.657 178.151 176.519 -0.042 0.000 1.206 67 W CA 1.006 58.332 57.345 -0.033 0.000 1.284 67 W CB -0.581 28.880 29.460 0.002 0.000 1.145 67 W HN -0.020 nan 8.180 nan 0.000 0.502 68 I N 0.843 121.474 120.570 0.100 0.000 2.252 68 I HA -0.335 3.827 4.170 -0.013 0.000 0.245 68 I C 2.625 178.726 176.117 -0.028 0.000 1.102 68 I CA 1.782 63.054 61.300 -0.046 0.000 1.385 68 I CB -0.463 37.517 38.000 -0.033 0.000 1.064 68 I HN -0.043 nan 8.210 nan 0.000 0.414 69 R N -0.120 120.381 120.500 0.002 0.000 2.115 69 R HA -0.046 4.287 4.340 -0.013 0.000 0.226 69 R C 2.042 178.309 176.300 -0.055 0.000 1.100 69 R CA 1.563 57.657 56.100 -0.009 0.000 0.980 69 R CB -1.223 29.075 30.300 -0.004 0.000 0.875 69 R HN 0.234 nan 8.270 nan 0.000 0.445 70 T N 1.653 116.144 114.554 -0.105 0.000 2.674 70 T HA -0.112 4.230 4.350 -0.013 0.000 0.265 70 T C 1.870 176.295 174.700 -0.458 0.000 1.039 70 T CA 1.244 63.155 62.100 -0.315 0.000 1.150 70 T CB -0.116 68.607 68.868 -0.242 0.000 0.864 70 T HN 0.188 nan 8.240 nan 0.000 0.427 71 Q N 0.764 120.446 119.800 -0.197 0.000 2.124 71 Q HA -0.086 4.246 4.340 -0.013 0.000 0.202 71 Q C 2.367 178.382 176.000 0.025 0.000 0.977 71 Q CA 1.317 57.078 55.803 -0.070 0.000 0.850 71 Q CB -0.520 28.189 28.738 -0.048 0.000 0.901 71 Q HN 0.490 nan 8.270 nan 0.000 0.429 72 Q N 0.089 119.896 119.800 0.010 0.000 2.079 72 Q HA -0.174 4.159 4.340 -0.013 0.000 0.200 72 Q C 1.888 177.982 176.000 0.157 0.000 0.974 72 Q CA 1.981 57.837 55.803 0.089 0.000 0.840 72 Q CB -0.466 28.302 28.738 0.050 0.000 0.898 72 Q HN 0.562 nan 8.270 nan 0.000 0.430 73 H N -0.865 118.189 119.070 -0.027 0.000 2.289 73 H HA -0.204 4.345 4.556 -0.012 0.000 0.296 73 H C 1.216 176.620 175.328 0.125 0.000 1.091 73 H CA 2.488 58.531 56.048 -0.009 0.000 1.274 73 H CB -0.375 29.308 29.762 -0.130 0.000 1.364 73 H HN 0.365 nan 8.280 nan 0.000 0.490 74 Y N -1.044 119.365 120.300 0.181 0.000 2.384 74 Y HA -0.198 4.344 4.550 -0.013 0.000 0.289 74 Y C 2.332 178.288 175.900 0.093 0.000 1.152 74 Y CA 0.977 59.146 58.100 0.115 0.000 1.258 74 Y CB -1.188 37.370 38.460 0.164 0.000 0.979 74 Y HN 0.429 nan 8.280 nan 0.000 0.549 75 Y N 0.932 121.327 120.300 0.158 0.000 2.286 75 Y HA -0.090 4.452 4.550 -0.013 0.000 0.293 75 Y C 2.025 177.943 175.900 0.030 0.000 1.124 75 Y CA 1.326 59.481 58.100 0.092 0.000 1.178 75 Y CB -0.030 38.469 38.460 0.064 0.000 1.010 75 Y HN 0.007 nan 8.280 nan 0.000 0.536 76 E N 0.408 120.547 120.200 -0.102 0.000 2.016 76 E HA -0.149 4.193 4.350 -0.013 0.000 0.190 76 E C 1.970 178.439 176.600 -0.218 0.000 0.985 76 E CA 1.121 57.398 56.400 -0.204 0.000 0.802 76 E CB -0.209 29.426 29.700 -0.109 0.000 0.762 76 E HN 0.329 nan 8.360 nan 0.000 0.448 77 K N 0.852 121.114 120.400 -0.229 0.000 2.148 77 K HA -0.108 4.205 4.320 -0.013 0.000 0.204 77 K C 0.229 176.775 176.600 -0.090 0.000 1.050 77 K CA 0.709 56.891 56.287 -0.175 0.000 0.942 77 K CB -0.549 31.806 32.500 -0.242 0.000 0.724 77 K HN 0.139 nan 8.250 nan 0.000 0.446 78 D N 0.343 120.709 120.400 -0.056 0.000 2.828 78 D HA -0.101 4.532 4.640 -0.013 0.000 0.241 78 D C -2.384 173.925 176.300 0.016 0.000 1.142 78 D CA 0.103 54.097 54.000 -0.010 0.000 0.755 78 D CB -0.197 40.576 40.800 -0.046 0.000 1.014 78 D HN 0.162 nan 8.370 nan 0.000 0.420 79 P HA 0.191 nan 4.420 nan 0.000 0.284 79 P C -0.332 176.953 177.300 -0.025 0.000 1.292 79 P CA -0.753 62.340 63.100 -0.010 0.000 0.800 79 P CB 0.592 32.273 31.700 -0.032 0.000 1.188 80 K N 0.731 121.112 120.400 -0.032 0.000 2.412 80 K HA 0.100 4.413 4.320 -0.013 0.000 0.281 80 K C -0.189 176.335 176.600 -0.127 0.000 1.027 80 K CA -0.080 56.176 56.287 -0.052 0.000 0.989 80 K CB 0.220 32.702 32.500 -0.031 0.000 0.935 80 K HN 0.212 nan 8.250 nan 0.000 0.475 81 R N 3.743 124.152 120.500 -0.152 0.000 2.368 81 R HA 0.348 4.680 4.340 -0.013 0.000 0.302 81 R C -0.556 175.487 176.300 -0.429 0.000 1.002 81 R CA -0.466 55.468 56.100 -0.277 0.000 0.929 81 R CB 0.855 30.999 30.300 -0.259 0.000 1.073 81 R HN 0.523 nan 8.270 nan 0.000 0.464 82 I N 4.331 124.597 120.570 -0.507 0.000 2.339 82 I HA 0.232 4.394 4.170 -0.013 0.000 0.290 82 I C -0.658 175.184 176.117 -0.458 0.000 0.994 82 I CA -0.725 60.226 61.300 -0.582 0.000 1.191 82 I CB 0.844 38.373 38.000 -0.784 0.000 1.343 82 I HN 0.528 nan 8.210 nan 0.000 0.458 83 Y N 5.688 125.944 120.300 -0.072 0.000 2.356 83 Y HA 0.288 4.831 4.550 -0.012 0.000 0.334 83 Y C -0.305 175.693 175.900 0.164 0.000 0.958 83 Y CA -0.729 57.450 58.100 0.130 0.000 1.196 83 Y CB 1.223 39.704 38.460 0.036 0.000 1.137 83 Y HN 0.404 nan 8.280 nan 0.000 0.485 84 Y N 4.659 125.148 120.300 0.314 0.000 2.594 84 Y HA 0.452 4.995 4.550 -0.012 0.000 0.342 84 Y C -1.149 175.018 175.900 0.444 0.000 1.010 84 Y CA -0.926 57.368 58.100 0.325 0.000 1.270 84 Y CB 0.164 38.824 38.460 0.333 0.000 1.125 84 Y HN 0.511 nan 8.280 nan 0.000 0.513 85 L N 4.841 126.125 121.223 0.102 0.000 2.276 85 L HA 0.475 4.807 4.340 -0.013 0.000 0.286 85 L C -0.141 176.732 176.870 0.005 0.000 1.061 85 L CA 0.152 55.095 54.840 0.173 0.000 0.807 85 L CB 1.283 43.407 42.059 0.108 0.000 1.177 85 L HN 0.577 nan 8.230 nan 0.000 0.429 86 S N 2.717 118.501 115.700 0.139 0.000 2.533 86 S HA 0.465 4.928 4.470 -0.013 0.000 0.271 86 S C 0.060 174.737 174.600 0.129 0.000 1.143 86 S CA -0.565 57.617 58.200 -0.029 0.000 0.891 86 S CB 0.956 63.925 63.200 -0.384 0.000 1.105 86 S HN 0.450 nan 8.310 nan 0.000 0.468 87 L N 2.673 124.016 121.223 0.200 0.000 2.591 87 L HA 0.483 4.816 4.340 -0.013 0.000 0.228 87 L C 0.384 177.443 176.870 0.314 0.000 1.133 87 L CA 0.965 55.987 54.840 0.304 0.000 0.880 87 L CB -0.150 42.100 42.059 0.317 0.000 1.033 87 L HN 0.681 nan 8.230 nan 0.000 0.450 88 E N -1.465 118.795 120.200 0.100 0.000 2.292 88 E HA 0.415 4.758 4.350 -0.013 0.000 0.272 88 E C -1.442 175.048 176.600 -0.183 0.000 0.881 88 E CA -0.486 55.963 56.400 0.081 0.000 0.754 88 E CB 1.947 31.677 29.700 0.050 0.000 1.201 88 E HN -0.190 nan 8.360 nan 0.000 0.425 89 F N 2.148 122.200 119.950 0.170 0.000 3.090 89 F HA 0.164 4.683 4.527 -0.013 0.000 0.381 89 F C -0.957 174.925 175.800 0.137 0.000 1.231 89 F CA -0.651 57.443 58.000 0.155 0.000 1.177 89 F CB 0.825 39.912 39.000 0.144 0.000 1.598 89 F HN 0.479 nan 8.300 nan 0.000 0.589 90 Y N 5.043 125.425 120.300 0.137 0.000 2.570 90 Y HA 0.171 4.714 4.550 -0.012 0.000 0.336 90 Y C 1.168 177.093 175.900 0.041 0.000 1.284 90 Y CA -0.808 57.322 58.100 0.050 0.000 1.761 90 Y CB 0.244 38.717 38.460 0.021 0.000 1.724 90 Y HN 0.506 nan 8.280 nan 0.000 0.455 91 M N 1.199 120.941 119.600 0.237 0.000 2.200 91 M HA 0.096 4.569 4.480 -0.013 0.000 0.265 91 M C 1.540 177.823 176.300 -0.028 0.000 1.066 91 M CA 1.165 56.509 55.300 0.073 0.000 1.127 91 M CB -1.276 31.340 32.600 0.027 0.000 1.379 91 M HN 0.640 nan 8.290 nan 0.000 0.420 92 G N 0.980 109.777 108.800 -0.005 0.000 2.642 92 G HA2 -0.258 3.695 3.960 -0.013 0.000 0.231 92 G HA3 -0.258 3.695 3.960 -0.013 0.000 0.231 92 G C -0.514 174.342 174.900 -0.073 0.000 1.338 92 G CA -0.388 44.665 45.100 -0.077 0.000 0.883 92 G HN 0.456 nan 8.290 nan 0.000 0.570 93 R N -0.591 119.849 120.500 -0.101 0.000 2.641 93 R HA 0.533 4.865 4.340 -0.013 0.000 0.269 93 R C 1.581 177.770 176.300 -0.184 0.000 1.074 93 R CA 0.508 56.557 56.100 -0.085 0.000 1.133 93 R CB 0.687 30.936 30.300 -0.084 0.000 1.029 93 R HN 0.915 nan 8.270 nan 0.000 0.488 94 T N -0.136 114.259 114.554 -0.265 0.000 3.043 94 T HA 0.047 4.389 4.350 -0.013 0.000 0.272 94 T C 1.153 175.481 174.700 -0.620 0.000 0.990 94 T CA -0.276 61.498 62.100 -0.543 0.000 0.897 94 T CB 0.183 68.516 68.868 -0.892 0.000 1.111 94 T HN 0.339 nan 8.240 nan 0.000 0.529 95 L N 1.829 122.905 121.223 -0.245 0.000 1.973 95 L HA 0.155 4.487 4.340 -0.013 0.000 0.208 95 L C 2.622 179.454 176.870 -0.063 0.000 1.073 95 L CA 2.247 57.083 54.840 -0.006 0.000 0.746 95 L CB -0.959 41.296 42.059 0.328 0.000 0.891 95 L HN 0.384 nan 8.230 nan 0.000 0.433 96 Q N -0.581 119.186 119.800 -0.056 0.000 2.061 96 Q HA -0.277 4.056 4.340 -0.013 0.000 0.204 96 Q C 2.229 178.161 176.000 -0.114 0.000 0.984 96 Q CA 2.045 57.809 55.803 -0.065 0.000 0.846 96 Q CB -0.399 28.297 28.738 -0.070 0.000 0.902 96 Q HN 0.702 nan 8.270 nan 0.000 0.421 97 N N -1.019 117.575 118.700 -0.177 0.000 2.149 97 N HA -0.151 4.582 4.740 -0.013 0.000 0.188 97 N C 1.286 176.694 175.510 -0.171 0.000 1.019 97 N CA 1.794 54.730 53.050 -0.190 0.000 0.857 97 N CB 0.043 38.381 38.487 -0.248 0.000 0.997 97 N HN 0.243 nan 8.380 nan 0.000 0.426 98 T N 0.999 115.422 114.554 -0.218 0.000 2.857 98 T HA 0.014 4.357 4.350 -0.013 0.000 0.266 98 T C 2.053 176.694 174.700 -0.097 0.000 1.048 98 T CA 0.790 62.776 62.100 -0.189 0.000 1.139 98 T CB 0.016 68.723 68.868 -0.269 0.000 0.874 98 T HN 0.254 nan 8.240 nan 0.000 0.455 99 M N 0.560 120.118 119.600 -0.069 0.000 2.086 99 M HA -0.077 4.396 4.480 -0.013 0.000 0.261 99 M C 2.465 178.736 176.300 -0.048 0.000 1.067 99 M CA 1.259 56.533 55.300 -0.043 0.000 1.116 99 M CB -0.618 31.971 32.600 -0.019 0.000 1.348 99 M HN 0.087 nan 8.290 nan 0.000 0.407 100 V N 1.006 120.897 119.914 -0.039 0.000 2.255 100 V HA -0.278 3.834 4.120 -0.013 0.000 0.247 100 V C 1.795 177.908 176.094 0.031 0.000 1.051 100 V CA 1.956 64.259 62.300 0.005 0.000 1.018 100 V CB -0.873 30.953 31.823 0.003 0.000 0.641 100 V HN 0.471 nan 8.190 nan 0.000 0.445 101 N N -0.411 118.294 118.700 0.009 0.000 2.453 101 N HA -0.051 4.682 4.740 -0.013 0.000 0.183 101 N C 1.033 176.454 175.510 -0.149 0.000 1.041 101 N CA 0.717 53.756 53.050 -0.018 0.000 0.900 101 N CB -0.064 38.417 38.487 -0.011 0.000 0.961 101 N HN 0.278 nan 8.380 nan 0.000 0.443 102 L N -0.388 120.765 121.223 -0.117 0.000 2.693 102 L HA 0.418 4.751 4.340 -0.013 0.000 0.235 102 L C 0.445 177.238 176.870 -0.129 0.000 1.127 102 L CA -0.279 54.490 54.840 -0.119 0.000 0.914 102 L CB -0.760 41.253 42.059 -0.078 0.000 1.193 102 L HN 0.083 nan 8.230 nan 0.000 0.502 103 A N -0.406 122.337 122.820 -0.128 0.000 2.846 103 A HA -0.216 4.096 4.320 -0.013 0.000 0.287 103 A C 1.018 178.547 177.584 -0.090 0.000 1.469 103 A CA 0.964 52.938 52.037 -0.106 0.000 0.757 103 A CB -1.918 17.007 19.000 -0.126 0.000 1.033 103 A HN 0.225 nan 8.150 nan 0.000 0.516 104 L N -0.990 120.181 121.223 -0.086 0.000 2.731 104 L HA 0.265 4.597 4.340 -0.013 0.000 0.240 104 L C 1.821 178.657 176.870 -0.057 0.000 1.120 104 L CA 1.524 56.306 54.840 -0.096 0.000 0.913 104 L CB -0.211 41.769 42.059 -0.131 0.000 1.213 104 L HN 0.616 nan 8.230 nan 0.000 0.515 105 E N -0.136 120.040 120.200 -0.039 0.000 2.070 105 E HA -0.260 4.082 4.350 -0.013 0.000 0.197 105 E C 1.616 178.204 176.600 -0.020 0.000 1.004 105 E CA 1.648 58.035 56.400 -0.022 0.000 0.805 105 E CB 0.237 29.927 29.700 -0.017 0.000 0.744 105 E HN 0.383 nan 8.360 nan 0.000 0.451 106 N N -0.291 118.393 118.700 -0.026 0.000 2.171 106 N HA -0.072 4.660 4.740 -0.013 0.000 0.184 106 N C 1.495 176.989 175.510 -0.027 0.000 1.021 106 N CA 1.187 54.221 53.050 -0.028 0.000 0.854 106 N CB -0.352 38.117 38.487 -0.029 0.000 0.994 106 N HN 0.229 nan 8.380 nan 0.000 0.426 107 A N 0.242 123.044 122.820 -0.030 0.000 1.902 107 A HA -0.150 4.163 4.320 -0.013 0.000 0.217 107 A C 2.641 180.217 177.584 -0.013 0.000 1.181 107 A CA 1.346 53.369 52.037 -0.024 0.000 0.623 107 A CB -1.042 17.935 19.000 -0.038 0.000 0.818 107 A HN 0.438 nan 8.150 nan 0.000 0.443 108 C N -0.881 118.412 119.300 -0.012 0.000 2.440 108 C HA -0.064 4.388 4.460 -0.013 0.000 0.278 108 C C 2.479 177.473 174.990 0.006 0.000 1.295 108 C CA 1.111 60.134 59.018 0.008 0.000 1.738 108 C CB -1.049 26.707 27.740 0.026 0.000 1.987 108 C HN 0.673 nan 8.230 nan 0.000 0.492 109 D N 0.583 120.985 120.400 0.004 0.000 2.117 109 D HA -0.130 4.502 4.640 -0.013 0.000 0.197 109 D C 2.123 178.437 176.300 0.023 0.000 0.987 109 D CA 1.447 55.452 54.000 0.009 0.000 0.829 109 D CB -0.215 40.578 40.800 -0.011 0.000 0.961 109 D HN 0.490 nan 8.370 nan 0.000 0.460 110 E N 0.544 120.747 120.200 0.005 0.000 2.015 110 E HA -0.071 4.272 4.350 -0.013 0.000 0.191 110 E C 1.940 178.583 176.600 0.072 0.000 0.991 110 E CA 1.802 58.218 56.400 0.027 0.000 0.802 110 E CB -0.666 29.033 29.700 -0.001 0.000 0.759 110 E HN 0.162 nan 8.360 nan 0.000 0.447 111 A N -0.071 122.759 122.820 0.017 0.000 1.892 111 A HA -0.258 4.054 4.320 -0.013 0.000 0.218 111 A C 2.516 180.040 177.584 -0.100 0.000 1.188 111 A CA 3.231 55.253 52.037 -0.025 0.000 0.631 111 A CB -1.637 17.348 19.000 -0.025 0.000 0.822 111 A HN 0.554 nan 8.150 nan 0.000 0.447 112 T N -3.856 110.629 114.554 -0.114 0.000 2.915 112 T HA -0.193 4.150 4.350 -0.013 0.000 0.269 112 T C 1.793 176.413 174.700 -0.134 0.000 1.071 112 T CA 1.491 63.460 62.100 -0.218 0.000 1.132 112 T CB -0.525 68.255 68.868 -0.146 0.000 0.878 112 T HN 0.512 nan 8.240 nan 0.000 0.479 113 Y N 1.981 122.203 120.300 -0.131 0.000 2.163 113 Y HA -0.035 4.508 4.550 -0.012 0.000 0.288 113 Y C 2.653 178.492 175.900 -0.102 0.000 1.136 113 Y CA 1.459 59.500 58.100 -0.097 0.000 1.147 113 Y CB -0.449 37.973 38.460 -0.063 0.000 0.987 113 Y HN 0.199 nan 8.280 nan 0.000 0.509 114 Q N -0.764 118.998 119.800 -0.064 0.000 2.226 114 Q HA -0.130 4.202 4.340 -0.013 0.000 0.204 114 Q C 1.506 177.388 176.000 -0.198 0.000 0.975 114 Q CA 0.878 56.602 55.803 -0.132 0.000 0.866 114 Q CB -0.061 28.671 28.738 -0.010 0.000 0.915 114 Q HN 0.357 nan 8.270 nan 0.000 0.440 115 L N -0.861 120.222 121.223 -0.232 0.000 2.599 115 L HA 0.128 4.460 4.340 -0.013 0.000 0.230 115 L C 1.105 177.807 176.870 -0.280 0.000 1.141 115 L CA 1.248 55.930 54.840 -0.263 0.000 0.877 115 L CB -0.432 41.373 42.059 -0.423 0.000 1.009 115 L HN 0.325 nan 8.230 nan 0.000 0.447 116 G N -0.163 108.451 108.800 -0.309 0.000 2.160 116 G HA2 -0.250 3.703 3.960 -0.013 0.000 0.244 116 G HA3 -0.250 3.703 3.960 -0.013 0.000 0.244 116 G C 0.041 174.789 174.900 -0.254 0.000 1.022 116 G CA 0.391 45.313 45.100 -0.297 0.000 0.741 116 G HN 0.306 nan 8.290 nan 0.000 0.508 117 L N -0.430 120.644 121.223 -0.248 0.000 2.341 117 L HA 0.631 4.963 4.340 -0.013 0.000 0.267 117 L C -0.525 176.305 176.870 -0.067 0.000 1.009 117 L CA -1.234 53.497 54.840 -0.181 0.000 0.819 117 L CB 1.876 43.773 42.059 -0.270 0.000 1.323 117 L HN 0.055 nan 8.230 nan 0.000 0.425 118 D N 1.871 122.264 120.400 -0.011 0.000 2.396 118 D HA 0.169 4.802 4.640 -0.013 0.000 0.225 118 D C 0.667 176.996 176.300 0.050 0.000 1.121 118 D CA -0.236 53.787 54.000 0.039 0.000 0.853 118 D CB 1.509 42.337 40.800 0.046 0.000 1.043 118 D HN 0.541 nan 8.370 nan 0.000 0.500 119 M N 3.313 122.945 119.600 0.053 0.000 2.106 119 M HA -0.184 4.289 4.480 -0.013 0.000 0.259 119 M C 1.446 177.789 176.300 0.071 0.000 1.068 119 M CA 1.636 56.976 55.300 0.066 0.000 1.100 119 M CB 0.160 32.793 32.600 0.055 0.000 1.351 119 M HN 0.419 nan 8.290 nan 0.000 0.404 120 E N -0.321 119.912 120.200 0.056 0.000 2.110 120 E HA -0.265 4.077 4.350 -0.013 0.000 0.193 120 E C 1.886 178.518 176.600 0.053 0.000 0.988 120 E CA 1.491 57.921 56.400 0.050 0.000 0.804 120 E CB -0.178 29.550 29.700 0.047 0.000 0.745 120 E HN 0.647 nan 8.360 nan 0.000 0.458 121 E N 0.251 120.487 120.200 0.059 0.000 2.150 121 E HA -0.185 4.157 4.350 -0.013 0.000 0.193 121 E C 1.837 178.475 176.600 0.064 0.000 0.985 121 E CA 0.502 56.936 56.400 0.058 0.000 0.814 121 E CB 0.210 29.947 29.700 0.061 0.000 0.752 121 E HN 0.083 nan 8.360 nan 0.000 0.466 122 L N 1.067 122.348 121.223 0.096 0.000 2.179 122 L HA -0.059 4.274 4.340 -0.013 0.000 0.208 122 L C 1.986 178.896 176.870 0.067 0.000 1.096 122 L CA 1.496 56.421 54.840 0.141 0.000 0.779 122 L CB -0.439 41.761 42.059 0.235 0.000 0.922 122 L HN 0.086 nan 8.230 nan 0.000 0.443 123 E N -0.681 119.552 120.200 0.054 0.000 2.204 123 E HA -0.178 4.164 4.350 -0.013 0.000 0.194 123 E C 1.690 178.237 176.600 -0.087 0.000 0.989 123 E CA 0.578 56.978 56.400 -0.000 0.000 0.824 123 E CB 0.137 29.852 29.700 0.024 0.000 0.756 123 E HN 0.339 nan 8.360 nan 0.000 0.477 124 E N 0.026 120.193 120.200 -0.054 0.000 2.418 124 E HA -0.079 4.264 4.350 -0.013 0.000 0.197 124 E C 1.672 178.200 176.600 -0.120 0.000 1.026 124 E CA 0.459 56.829 56.400 -0.049 0.000 0.862 124 E CB 0.149 29.855 29.700 0.010 0.000 0.799 124 E HN 0.389 nan 8.360 nan 0.000 0.518 125 I N 0.704 121.138 120.570 -0.228 0.000 2.876 125 I HA -0.081 4.081 4.170 -0.013 0.000 0.264 125 I C 1.258 177.062 176.117 -0.522 0.000 1.204 125 I CA 0.149 61.254 61.300 -0.326 0.000 1.485 125 I CB 0.224 38.042 38.000 -0.303 0.000 1.103 125 I HN -0.049 nan 8.210 nan 0.000 0.446 126 E N 2.454 122.225 120.200 -0.715 0.000 2.417 126 E HA -0.068 4.275 4.350 -0.013 0.000 0.261 126 E C 0.055 176.544 176.600 -0.185 0.000 1.000 126 E CA -0.116 55.913 56.400 -0.617 0.000 0.919 126 E CB 0.566 30.004 29.700 -0.437 0.000 0.955 126 E HN 0.108 nan 8.360 nan 0.000 0.455 127 E N 3.134 123.315 120.200 -0.031 0.000 2.366 127 E HA 0.054 4.397 4.350 -0.013 0.000 0.266 127 E C -1.040 175.654 176.600 0.156 0.000 1.051 127 E CA -0.318 56.150 56.400 0.114 0.000 0.884 127 E CB 0.774 30.621 29.700 0.246 0.000 1.006 127 E HN 0.395 nan 8.360 nan 0.000 0.417 128 D N 1.355 121.832 120.400 0.128 0.000 2.341 128 D HA 0.296 4.928 4.640 -0.013 0.000 0.245 128 D C -0.911 175.436 176.300 0.078 0.000 1.106 128 D CA 0.164 54.215 54.000 0.085 0.000 0.905 128 D CB 1.089 41.924 40.800 0.058 0.000 1.202 128 D HN 0.436 nan 8.370 nan 0.000 0.426 129 A N 2.136 124.957 122.820 0.002 0.000 2.798 129 A HA 0.474 4.787 4.320 -0.013 0.000 0.316 129 A C 0.936 178.394 177.584 -0.210 0.000 1.506 129 A CA -0.496 51.385 52.037 -0.260 0.000 1.162 129 A CB -0.295 18.622 19.000 -0.137 0.000 1.138 129 A HN 0.526 nan 8.150 nan 0.000 0.532 130 G N 1.728 110.353 108.800 -0.292 0.000 3.581 130 G HA2 0.393 4.346 3.960 -0.013 0.000 0.255 130 G HA3 0.393 4.346 3.960 -0.013 0.000 0.255 130 G C 0.314 174.972 174.900 -0.404 0.000 1.121 130 G CA -0.275 44.699 45.100 -0.210 0.000 1.739 130 G HN 0.684 nan 8.290 nan 0.000 0.646 131 L N 1.393 122.434 121.223 -0.303 0.000 2.955 131 L HA 0.404 4.737 4.340 -0.013 0.000 0.238 131 L C 0.993 177.787 176.870 -0.127 0.000 1.359 131 L CA -0.251 54.516 54.840 -0.121 0.000 1.214 131 L CB -0.417 41.699 42.059 0.094 0.000 1.600 131 L HN 0.297 nan 8.230 nan 0.000 0.442 132 G N -1.166 107.330 108.800 -0.506 0.000 2.646 132 G HA2 0.191 4.144 3.960 -0.013 0.000 0.291 132 G HA3 0.191 4.144 3.960 -0.013 0.000 0.291 132 G C -0.215 174.234 174.900 -0.753 0.000 1.445 132 G CA -0.475 44.309 45.100 -0.526 0.000 0.814 132 G HN -0.052 nan 8.290 nan 0.000 0.495 133 N N -0.755 117.749 118.700 -0.327 0.000 2.349 133 N HA 0.197 4.930 4.740 -0.013 0.000 0.180 133 N C 1.206 176.737 175.510 0.034 0.000 1.024 133 N CA 1.342 54.295 53.050 -0.161 0.000 0.869 133 N CB 1.101 39.589 38.487 0.002 0.000 1.022 133 N HN 0.789 nan 8.380 nan 0.000 0.433 134 G N -0.696 108.201 108.800 0.162 0.000 3.078 134 G HA2 0.230 4.182 3.960 -0.013 0.000 0.131 134 G HA3 0.230 4.182 3.960 -0.013 0.000 0.131 134 G C 0.759 175.794 174.900 0.223 0.000 1.219 134 G CA 0.305 45.572 45.100 0.278 0.000 1.319 134 G HN 0.184 nan 8.290 nan 0.000 0.653 135 G N 0.447 109.322 108.800 0.126 0.000 2.446 135 G HA2 -0.114 3.838 3.960 -0.013 0.000 0.217 135 G HA3 -0.114 3.838 3.960 -0.013 0.000 0.217 135 G C 1.876 176.783 174.900 0.012 0.000 1.168 135 G CA 1.471 46.606 45.100 0.058 0.000 0.771 135 G HN 0.706 nan 8.290 nan 0.000 0.551 136 L N 0.618 121.830 121.223 -0.019 0.000 2.046 136 L HA 0.085 4.418 4.340 -0.013 0.000 0.208 136 L C 2.843 179.659 176.870 -0.089 0.000 1.077 136 L CA 1.981 56.731 54.840 -0.150 0.000 0.747 136 L CB -0.568 41.373 42.059 -0.197 0.000 0.896 136 L HN 0.239 nan 8.230 nan 0.000 0.432 137 G N -0.759 108.051 108.800 0.016 0.000 2.402 137 G HA2 -0.245 3.708 3.960 -0.013 0.000 0.216 137 G HA3 -0.245 3.708 3.960 -0.013 0.000 0.216 137 G C 1.696 176.678 174.900 0.137 0.000 1.162 137 G CA 0.262 45.398 45.100 0.059 0.000 0.777 137 G HN 0.178 nan 8.290 nan 0.000 0.539 138 R N -0.034 120.576 120.500 0.184 0.000 2.115 138 R HA 0.087 4.420 4.340 -0.013 0.000 0.230 138 R C 2.495 178.810 176.300 0.026 0.000 1.111 138 R CA 0.708 56.886 56.100 0.131 0.000 0.976 138 R CB -0.907 29.435 30.300 0.070 0.000 0.870 138 R HN 0.410 nan 8.270 nan 0.000 0.445 139 L N 0.694 121.862 121.223 -0.091 0.000 2.012 139 L HA -0.118 4.214 4.340 -0.013 0.000 0.210 139 L C 2.230 178.820 176.870 -0.467 0.000 1.073 139 L CA 2.240 56.886 54.840 -0.323 0.000 0.748 139 L CB -0.768 41.048 42.059 -0.406 0.000 0.891 139 L HN 0.177 nan 8.230 nan 0.000 0.431 140 A N -0.617 122.047 122.820 -0.261 0.000 1.908 140 A HA -0.199 4.114 4.320 -0.013 0.000 0.218 140 A C 2.432 180.069 177.584 0.089 0.000 1.181 140 A CA 2.058 54.017 52.037 -0.130 0.000 0.627 140 A CB -1.187 17.716 19.000 -0.161 0.000 0.818 140 A HN 0.590 nan 8.150 nan 0.000 0.445 141 A N -1.347 121.566 122.820 0.154 0.000 1.898 141 A HA -0.123 4.189 4.320 -0.013 0.000 0.216 141 A C 2.283 179.951 177.584 0.139 0.000 1.181 141 A CA 1.586 53.740 52.037 0.196 0.000 0.620 141 A CB -1.150 17.954 19.000 0.175 0.000 0.819 141 A HN 0.596 nan 8.150 nan 0.000 0.442 142 C N -1.583 117.802 119.300 0.140 0.000 2.435 142 C HA 0.005 4.457 4.460 -0.013 0.000 0.279 142 C C 2.383 177.546 174.990 0.289 0.000 1.321 142 C CA 0.384 59.525 59.018 0.204 0.000 1.752 142 C CB -1.556 26.332 27.740 0.248 0.000 1.959 142 C HN 0.603 nan 8.230 nan 0.000 0.500 143 F N 0.521 120.461 119.950 -0.016 0.000 2.134 143 F HA -0.060 4.460 4.527 -0.013 0.000 0.299 143 F C 2.114 177.859 175.800 -0.092 0.000 1.097 143 F CA 1.050 58.987 58.000 -0.104 0.000 1.264 143 F CB -1.302 37.498 39.000 -0.332 0.000 1.001 143 F HN 0.079 nan 8.300 nan 0.000 0.479 144 L N 0.370 121.676 121.223 0.138 0.000 2.012 144 L HA -0.235 4.098 4.340 -0.013 0.000 0.210 144 L C 2.392 179.282 176.870 0.033 0.000 1.073 144 L CA 1.898 56.777 54.840 0.065 0.000 0.748 144 L CB -1.217 40.892 42.059 0.082 0.000 0.891 144 L HN 0.192 nan 8.230 nan 0.000 0.431 145 D N -1.437 118.990 120.400 0.046 0.000 2.117 145 D HA -0.160 4.473 4.640 -0.013 0.000 0.197 145 D C 1.888 178.209 176.300 0.034 0.000 0.987 145 D CA 1.435 55.447 54.000 0.019 0.000 0.829 145 D CB 0.460 41.268 40.800 0.013 0.000 0.961 145 D HN 0.305 nan 8.370 nan 0.000 0.460 146 S N -0.169 115.566 115.700 0.059 0.000 2.387 146 S HA -0.033 4.430 4.470 -0.013 0.000 0.226 146 S C 2.110 176.726 174.600 0.025 0.000 1.026 146 S CA 0.628 58.855 58.200 0.045 0.000 0.972 146 S CB -0.075 63.155 63.200 0.051 0.000 0.814 146 S HN 0.329 nan 8.310 nan 0.000 0.477 147 M N 0.905 120.514 119.600 0.014 0.000 2.213 147 M HA -0.080 4.393 4.480 -0.013 0.000 0.263 147 M C 2.338 178.641 176.300 0.005 0.000 1.062 147 M CA 1.273 56.578 55.300 0.009 0.000 1.105 147 M CB -0.409 32.181 32.600 -0.017 0.000 1.385 147 M HN 0.393 nan 8.290 nan 0.000 0.417 148 A N -0.400 122.422 122.820 0.003 0.000 1.897 148 A HA -0.095 4.218 4.320 -0.013 0.000 0.215 148 A C 2.142 179.740 177.584 0.023 0.000 1.181 148 A CA 1.816 53.856 52.037 0.005 0.000 0.620 148 A CB -0.975 18.015 19.000 -0.017 0.000 0.821 148 A HN 0.382 nan 8.150 nan 0.000 0.443 149 T N 0.341 114.915 114.554 0.034 0.000 2.881 149 T HA 0.005 4.348 4.350 -0.013 0.000 0.270 149 T C 1.268 175.998 174.700 0.049 0.000 1.068 149 T CA 1.024 63.158 62.100 0.056 0.000 1.131 149 T CB -0.262 68.650 68.868 0.074 0.000 0.871 149 T HN 0.320 nan 8.240 nan 0.000 0.479 150 L N 0.536 121.784 121.223 0.041 0.000 2.685 150 L HA 0.301 4.633 4.340 -0.013 0.000 0.233 150 L C 1.532 178.428 176.870 0.043 0.000 1.173 150 L CA -0.177 54.688 54.840 0.041 0.000 0.961 150 L CB -0.428 41.656 42.059 0.042 0.000 1.217 150 L HN 0.371 nan 8.230 nan 0.000 0.478 151 G N 1.364 110.190 108.800 0.044 0.000 2.305 151 G HA2 -0.288 3.664 3.960 -0.013 0.000 0.287 151 G HA3 -0.288 3.664 3.960 -0.013 0.000 0.287 151 G C 0.034 174.964 174.900 0.051 0.000 1.036 151 G CA 0.132 45.269 45.100 0.062 0.000 0.887 151 G HN 0.300 nan 8.290 nan 0.000 0.505 152 L N -0.316 120.911 121.223 0.007 0.000 2.334 152 L HA 0.633 4.965 4.340 -0.013 0.000 0.277 152 L C 1.156 177.887 176.870 -0.232 0.000 1.075 152 L CA -0.485 54.311 54.840 -0.074 0.000 0.804 152 L CB 1.721 43.758 42.059 -0.038 0.000 1.174 152 L HN 0.259 nan 8.230 nan 0.000 0.438 153 A N 3.004 125.544 122.820 -0.467 0.000 2.981 153 A HA 0.571 4.883 4.320 -0.013 0.000 0.280 153 A C 0.286 177.514 177.584 -0.594 0.000 1.743 153 A CA -0.146 51.336 52.037 -0.926 0.000 1.430 153 A CB -0.677 17.713 19.000 -1.017 0.000 1.085 153 A HN 0.690 nan 8.150 nan 0.000 0.597 154 A N 1.437 123.959 122.820 -0.496 0.000 2.340 154 A HA 0.801 5.113 4.320 -0.013 0.000 0.331 154 A C -1.123 176.213 177.584 -0.414 0.000 1.140 154 A CA -0.457 51.355 52.037 -0.374 0.000 0.801 154 A CB 0.793 19.652 19.000 -0.234 0.000 1.234 154 A HN 0.585 nan 8.150 nan 0.000 0.469 155 Y N 0.251 120.507 120.300 -0.073 0.000 2.361 155 Y HA 0.547 5.090 4.550 -0.012 0.000 0.337 155 Y C 0.805 176.833 175.900 0.213 0.000 0.965 155 Y CA -0.641 57.502 58.100 0.072 0.000 1.091 155 Y CB 2.230 40.826 38.460 0.227 0.000 1.182 155 Y HN 0.829 nan 8.280 nan 0.000 0.450 156 G N 2.121 111.044 108.800 0.205 0.000 2.338 156 G HA2 0.438 4.391 3.960 -0.013 0.000 0.298 156 G HA3 0.438 4.391 3.960 -0.013 0.000 0.298 156 G C -1.745 173.211 174.900 0.093 0.000 1.140 156 G CA -0.264 44.986 45.100 0.251 0.000 0.860 156 G HN 0.529 nan 8.290 nan 0.000 0.470 157 Y N 1.147 121.696 120.300 0.415 0.000 2.338 157 Y HA 0.611 5.153 4.550 -0.013 0.000 0.333 157 Y C 0.735 176.950 175.900 0.525 0.000 0.968 157 Y CA 0.156 58.462 58.100 0.342 0.000 1.123 157 Y CB 2.598 41.282 38.460 0.373 0.000 1.165 157 Y HN 0.870 nan 8.280 nan 0.000 0.452 158 G N 2.534 111.651 108.800 0.529 0.000 2.846 158 G HA2 0.583 4.535 3.960 -0.013 0.000 0.299 158 G HA3 0.583 4.535 3.960 -0.013 0.000 0.299 158 G C -1.723 173.425 174.900 0.414 0.000 1.242 158 G CA -0.817 44.634 45.100 0.585 0.000 0.800 158 G HN 0.411 nan 8.290 nan 0.000 0.538 159 I N 0.735 121.448 120.570 0.238 0.000 2.404 159 I HA 0.406 4.569 4.170 -0.013 0.000 0.293 159 I C 0.186 176.218 176.117 -0.142 0.000 0.992 159 I CA -0.685 60.640 61.300 0.041 0.000 1.149 159 I CB 2.118 39.933 38.000 -0.308 0.000 1.315 159 I HN 0.380 nan 8.210 nan 0.000 0.446 160 R N 6.569 127.087 120.500 0.030 0.000 2.593 160 R HA 0.239 4.572 4.340 -0.013 0.000 0.282 160 R C -1.203 175.160 176.300 0.105 0.000 1.300 160 R CA -0.423 55.725 56.100 0.080 0.000 1.221 160 R CB -0.039 30.283 30.300 0.036 0.000 1.157 160 R HN 0.387 nan 8.270 nan 0.000 0.555 161 Y N 1.512 121.964 120.300 0.253 0.000 2.497 161 Y HA -0.047 4.495 4.550 -0.013 0.000 0.334 161 Y C 1.512 177.583 175.900 0.284 0.000 1.199 161 Y CA 0.001 58.238 58.100 0.229 0.000 1.425 161 Y CB 0.878 39.452 38.460 0.191 0.000 1.291 161 Y HN 0.560 nan 8.280 nan 0.000 0.562 162 E N 0.718 121.093 120.200 0.292 0.000 2.442 162 E HA 0.071 4.413 4.350 -0.013 0.000 0.195 162 E C -0.870 175.611 176.600 -0.197 0.000 1.030 162 E CA 0.392 56.794 56.400 0.002 0.000 0.869 162 E CB 0.136 29.647 29.700 -0.316 0.000 0.857 162 E HN 0.362 nan 8.360 nan 0.000 0.505 163 F N 1.267 121.451 119.950 0.390 0.000 2.553 163 F HA 0.477 4.996 4.527 -0.013 0.000 0.335 163 F C 0.807 176.684 175.800 0.128 0.000 1.148 163 F CA -0.969 57.197 58.000 0.276 0.000 0.963 163 F CB 1.934 41.031 39.000 0.163 0.000 1.217 163 F HN -0.062 nan 8.300 nan 0.000 0.441 164 G N 1.864 110.763 108.800 0.164 0.000 2.546 164 G HA2 0.336 4.289 3.960 -0.013 0.000 0.239 164 G HA3 0.336 4.289 3.960 -0.013 0.000 0.239 164 G C -0.394 174.463 174.900 -0.071 0.000 1.476 164 G CA -0.640 44.404 45.100 -0.094 0.000 1.064 164 G HN 0.505 nan 8.290 nan 0.000 0.561 165 I N 0.906 121.360 120.570 -0.192 0.000 2.775 165 I HA 0.218 4.380 4.170 -0.013 0.000 0.290 165 I C 0.562 176.609 176.117 -0.116 0.000 1.203 165 I CA -1.101 60.073 61.300 -0.209 0.000 1.433 165 I CB -0.216 37.562 38.000 -0.370 0.000 1.354 165 I HN 0.332 nan 8.210 nan 0.000 0.579 166 F N 6.272 126.230 119.950 0.014 0.000 2.589 166 F HA 0.261 4.781 4.527 -0.012 0.000 0.352 166 F C 0.450 176.298 175.800 0.080 0.000 1.168 166 F CA -0.513 57.517 58.000 0.051 0.000 1.353 166 F CB -0.214 38.804 39.000 0.031 0.000 1.116 166 F HN 0.422 nan 8.300 nan 0.000 0.608 167 N N 2.283 121.164 118.700 0.302 0.000 2.444 167 N HA 0.067 4.800 4.740 -0.013 0.000 0.271 167 N C -0.894 174.840 175.510 0.374 0.000 1.069 167 N CA -0.335 52.853 53.050 0.229 0.000 0.965 167 N CB 1.310 39.925 38.487 0.214 0.000 1.092 167 N HN 0.765 nan 8.380 nan 0.000 0.476 168 Q N 2.436 122.421 119.800 0.309 0.000 2.256 168 Q HA 0.201 4.534 4.340 -0.013 0.000 0.254 168 Q C -0.974 175.198 176.000 0.287 0.000 0.916 168 Q CA -0.232 55.801 55.803 0.384 0.000 0.932 168 Q CB 0.789 29.749 28.738 0.369 0.000 1.207 168 Q HN 0.265 nan 8.270 nan 0.000 0.426 169 K N 4.408 124.959 120.400 0.251 0.000 2.324 169 K HA 0.437 4.750 4.320 -0.013 0.000 0.253 169 K C -0.926 175.780 176.600 0.177 0.000 0.932 169 K CA -0.925 55.483 56.287 0.203 0.000 0.799 169 K CB 1.593 34.190 32.500 0.162 0.000 1.154 169 K HN 0.628 nan 8.250 nan 0.000 0.425 170 I N 2.789 123.458 120.570 0.165 0.000 2.307 170 I HA 0.194 4.357 4.170 -0.013 0.000 0.289 170 I C -0.136 176.046 176.117 0.109 0.000 1.021 170 I CA -0.713 60.657 61.300 0.116 0.000 1.224 170 I CB 0.543 38.596 38.000 0.089 0.000 1.376 170 I HN 0.456 nan 8.210 nan 0.000 0.470 171 C N 4.260 123.636 119.300 0.126 0.000 2.301 171 C HA 0.582 5.034 4.460 -0.013 0.000 0.323 171 C C 1.217 176.313 174.990 0.176 0.000 1.265 171 C CA -0.281 58.814 59.018 0.129 0.000 1.503 171 C CB 0.390 28.200 27.740 0.116 0.000 2.195 171 C HN 1.084 nan 8.230 nan 0.000 0.477 172 G N 2.719 111.594 108.800 0.124 0.000 2.225 172 G HA2 0.081 4.034 3.960 -0.013 0.000 0.267 172 G HA3 0.081 4.034 3.960 -0.013 0.000 0.267 172 G C 1.086 176.005 174.900 0.031 0.000 1.024 172 G CA 1.004 46.182 45.100 0.131 0.000 0.784 172 G HN 2.311 nan 8.290 nan 0.000 0.507 173 G N -2.942 105.823 108.800 -0.059 0.000 2.199 173 G HA2 -0.284 3.669 3.960 -0.013 0.000 0.254 173 G HA3 -0.284 3.669 3.960 -0.013 0.000 0.254 173 G C 0.385 175.049 174.900 -0.393 0.000 0.982 173 G CA 0.596 45.534 45.100 -0.270 0.000 0.632 173 G HN 1.173 nan 8.290 nan 0.000 0.529 174 W N 0.984 122.236 121.300 -0.081 0.000 2.516 174 W HA 0.675 5.328 4.660 -0.012 0.000 0.343 174 W C 0.649 177.123 176.519 -0.075 0.000 1.094 174 W CA -0.793 56.498 57.345 -0.090 0.000 1.250 174 W CB 0.769 30.191 29.460 -0.063 0.000 1.308 174 W HN 0.267 nan 8.180 nan 0.000 0.588 175 Q N 2.625 122.539 119.800 0.191 0.000 2.314 175 Q HA 0.327 4.659 4.340 -0.013 0.000 0.258 175 Q C -0.709 175.362 176.000 0.117 0.000 0.954 175 Q CA -0.030 55.853 55.803 0.132 0.000 0.890 175 Q CB 0.663 29.475 28.738 0.123 0.000 1.210 175 Q HN 0.312 nan 8.270 nan 0.000 0.410 176 M N 3.149 122.813 119.600 0.107 0.000 2.326 176 M HA 0.375 4.848 4.480 -0.013 0.000 0.306 176 M C -1.266 175.059 176.300 0.042 0.000 1.054 176 M CA -0.630 54.700 55.300 0.050 0.000 0.922 176 M CB 1.752 34.392 32.600 0.067 0.000 1.632 176 M HN 0.644 nan 8.290 nan 0.000 0.436 177 E N 1.936 122.086 120.200 -0.084 0.000 2.204 177 E HA 0.521 4.864 4.350 -0.013 0.000 0.276 177 E C -0.570 176.017 176.600 -0.021 0.000 0.974 177 E CA -0.538 55.774 56.400 -0.146 0.000 0.815 177 E CB 1.687 31.017 29.700 -0.618 0.000 1.119 177 E HN 0.532 nan 8.360 nan 0.000 0.393 178 E N 1.268 121.532 120.200 0.106 0.000 2.321 178 E HA 0.613 4.955 4.350 -0.013 0.000 0.278 178 E C -1.220 175.463 176.600 0.138 0.000 0.902 178 E CA -1.303 55.151 56.400 0.089 0.000 0.758 178 E CB 1.316 31.078 29.700 0.103 0.000 1.213 178 E HN 0.520 nan 8.360 nan 0.000 0.426 179 A N 2.919 125.775 122.820 0.060 0.000 2.587 179 A HA 0.005 4.318 4.320 -0.013 0.000 0.235 179 A C 0.038 177.772 177.584 0.250 0.000 1.044 179 A CA 0.779 52.857 52.037 0.069 0.000 0.754 179 A CB -0.062 18.835 19.000 -0.172 0.000 0.968 179 A HN 0.689 nan 8.150 nan 0.000 0.509 180 D N 1.694 122.318 120.400 0.373 0.000 2.500 180 D HA 0.194 4.827 4.640 -0.013 0.000 0.219 180 D C -0.563 176.082 176.300 0.576 0.000 1.137 180 D CA -0.253 53.984 54.000 0.396 0.000 0.946 180 D CB 0.407 41.379 40.800 0.286 0.000 1.022 180 D HN 0.353 nan 8.370 nan 0.000 0.518 181 D N 4.127 124.832 120.400 0.507 0.000 2.688 181 D HA -0.018 4.615 4.640 -0.013 0.000 0.228 181 D C 1.081 177.561 176.300 0.300 0.000 1.116 181 D CA -0.532 53.706 54.000 0.396 0.000 1.023 181 D CB -0.109 40.907 40.800 0.360 0.000 1.100 181 D HN 0.595 nan 8.370 nan 0.000 0.487 182 W N 2.278 123.640 121.300 0.103 0.000 2.525 182 W HA -0.048 4.604 4.660 -0.012 0.000 0.259 182 W C 0.234 176.823 176.519 0.117 0.000 1.253 182 W CA 0.066 57.483 57.345 0.120 0.000 1.262 182 W CB -0.762 28.764 29.460 0.109 0.000 1.122 182 W HN 0.195 nan 8.180 nan 0.000 0.607 183 L N 0.786 121.686 121.223 -0.537 0.000 2.585 183 L HA 0.167 4.500 4.340 -0.013 0.000 0.226 183 L C 2.771 179.508 176.870 -0.222 0.000 1.113 183 L CA 0.012 54.498 54.840 -0.589 0.000 0.876 183 L CB -0.643 40.934 42.059 -0.803 0.000 1.072 183 L HN -0.122 nan 8.230 nan 0.000 0.468 184 R N 0.733 121.177 120.500 -0.094 0.000 2.159 184 R HA -0.266 4.067 4.340 -0.013 0.000 0.252 184 R C 1.356 177.530 176.300 -0.211 0.000 1.144 184 R CA 2.325 58.357 56.100 -0.113 0.000 0.961 184 R CB -0.268 30.015 30.300 -0.028 0.000 0.877 184 R HN 0.318 nan 8.270 nan 0.000 0.444 185 Y N -0.740 119.577 120.300 0.028 0.000 2.458 185 Y HA 0.339 4.881 4.550 -0.012 0.000 0.256 185 Y C 0.813 176.701 175.900 -0.020 0.000 1.159 185 Y CA 0.461 58.585 58.100 0.039 0.000 1.261 185 Y CB 1.096 39.687 38.460 0.217 0.000 1.119 185 Y HN 0.469 nan 8.280 nan 0.000 0.524 186 G N 1.292 110.134 108.800 0.071 0.000 2.662 186 G HA2 -0.205 3.747 3.960 -0.013 0.000 0.686 186 G HA3 -0.205 3.747 3.960 -0.013 0.000 0.686 186 G C -1.291 173.668 174.900 0.097 0.000 1.271 186 G CA -0.840 44.261 45.100 0.002 0.000 0.816 186 G HN 0.208 nan 8.290 nan 0.000 0.608 187 N N 1.143 119.847 118.700 0.006 0.000 2.573 187 N HA 0.534 5.267 4.740 -0.013 0.000 0.262 187 N C -0.876 174.621 175.510 -0.022 0.000 1.029 187 N CA -1.982 51.095 53.050 0.045 0.000 0.882 187 N CB 2.033 40.490 38.487 -0.050 0.000 1.204 187 N HN 0.248 nan 8.380 nan 0.000 0.519 188 P HA 0.018 nan 4.420 nan 0.000 0.234 188 P C 0.508 177.418 177.300 -0.649 0.000 1.167 188 P CA 0.687 63.440 63.100 -0.578 0.000 0.763 188 P CB 0.072 31.163 31.700 -1.016 0.000 0.835 189 W N 1.621 122.932 121.300 0.019 0.000 2.630 189 W HA 0.084 4.736 4.660 -0.012 0.000 0.271 189 W C 1.301 177.859 176.519 0.064 0.000 1.244 189 W CA -0.350 57.001 57.345 0.011 0.000 1.353 189 W CB -0.301 29.166 29.460 0.012 0.000 1.080 189 W HN -0.047 nan 8.180 nan 0.000 0.594 190 E N 1.972 122.345 120.200 0.289 0.000 2.374 190 E HA 0.249 4.591 4.350 -0.013 0.000 0.260 190 E C -0.540 176.233 176.600 0.289 0.000 1.101 190 E CA -0.516 56.066 56.400 0.303 0.000 0.907 190 E CB 1.150 31.038 29.700 0.313 0.000 1.014 190 E HN -0.311 nan 8.360 nan 0.000 0.427 191 K N 1.613 122.205 120.400 0.320 0.000 2.559 191 K HA 0.395 4.708 4.320 -0.013 0.000 0.249 191 K C -1.210 175.435 176.600 0.075 0.000 0.958 191 K CA -0.431 55.982 56.287 0.210 0.000 0.901 191 K CB 1.398 34.039 32.500 0.234 0.000 1.124 191 K HN 0.660 nan 8.250 nan 0.000 0.437 192 A N 4.157 126.939 122.820 -0.063 0.000 2.511 192 A HA 0.330 4.642 4.320 -0.013 0.000 0.242 192 A C -0.260 177.142 177.584 -0.303 0.000 1.069 192 A CA -0.034 51.703 52.037 -0.499 0.000 0.763 192 A CB 0.207 18.912 19.000 -0.491 0.000 1.001 192 A HN 0.668 nan 8.150 nan 0.000 0.498 193 R N 3.345 123.651 120.500 -0.324 0.000 2.748 193 R HA 0.205 4.538 4.340 -0.013 0.000 0.283 193 R C -2.408 173.773 176.300 -0.197 0.000 1.507 193 R CA -1.597 54.399 56.100 -0.173 0.000 1.666 193 R CB 0.849 31.215 30.300 0.110 0.000 1.237 193 R HN 0.566 nan 8.270 nan 0.000 0.633 194 P HA -0.173 nan 4.420 nan 0.000 0.222 194 P C 0.885 178.085 177.300 -0.166 0.000 1.147 194 P CA 1.083 64.095 63.100 -0.147 0.000 0.790 194 P CB 0.363 31.988 31.700 -0.126 0.000 0.780 195 E N -0.450 119.537 120.200 -0.354 0.000 2.478 195 E HA -0.109 4.234 4.350 -0.013 0.000 0.198 195 E C 0.286 176.624 176.600 -0.437 0.000 1.046 195 E CA 0.686 56.814 56.400 -0.454 0.000 0.870 195 E CB -0.649 28.655 29.700 -0.660 0.000 0.818 195 E HN 0.266 nan 8.360 nan 0.000 0.527 196 F N 1.590 121.552 119.950 0.020 0.000 2.791 196 F HA 0.291 4.810 4.527 -0.012 0.000 0.308 196 F C 0.335 176.222 175.800 0.146 0.000 1.138 196 F CA -0.736 57.305 58.000 0.068 0.000 1.294 196 F CB 0.253 39.287 39.000 0.056 0.000 0.975 196 F HN -0.295 nan 8.300 nan 0.000 0.512 197 T N 2.973 117.662 114.554 0.224 0.000 2.916 197 T HA 0.332 4.675 4.350 -0.013 0.000 0.303 197 T C -0.158 174.650 174.700 0.180 0.000 1.025 197 T CA 0.317 62.551 62.100 0.225 0.000 1.142 197 T CB 0.775 69.725 68.868 0.137 0.000 0.947 197 T HN -0.151 nan 8.240 nan 0.000 0.544 198 L N 5.251 126.557 121.223 0.139 0.000 2.341 198 L HA 0.633 4.966 4.340 -0.013 0.000 0.267 198 L C -2.247 174.593 176.870 -0.049 0.000 1.009 198 L CA -2.637 52.213 54.840 0.016 0.000 0.819 198 L CB 1.853 43.858 42.059 -0.089 0.000 1.323 198 L HN 0.391 nan 8.230 nan 0.000 0.425 199 P HA 0.445 nan 4.420 nan 0.000 0.292 199 P C -1.302 175.859 177.300 -0.232 0.000 1.283 199 P CA -0.511 62.508 63.100 -0.136 0.000 0.835 199 P CB 2.067 33.682 31.700 -0.143 0.000 1.017 200 V N 3.667 123.429 119.914 -0.255 0.000 2.638 200 V HA 0.315 4.427 4.120 -0.013 0.000 0.306 200 V C 0.116 175.976 176.094 -0.391 0.000 1.052 200 V CA -0.608 61.527 62.300 -0.275 0.000 0.885 200 V CB 1.486 33.210 31.823 -0.166 0.000 0.999 200 V HN 0.613 nan 8.190 nan 0.000 0.424 201 H N 3.900 122.788 119.070 -0.303 0.000 2.483 201 H HA 0.639 5.187 4.556 -0.013 0.000 0.338 201 H C -1.320 173.626 175.328 -0.636 0.000 1.152 201 H CA -0.144 55.621 56.048 -0.471 0.000 1.264 201 H CB 1.877 31.115 29.762 -0.873 0.000 1.510 201 H HN 0.452 nan 8.280 nan 0.000 0.530 202 F N -0.345 119.591 119.950 -0.024 0.000 2.613 202 F HA 0.199 4.718 4.527 -0.013 0.000 0.310 202 F C -0.305 175.544 175.800 0.082 0.000 1.085 202 F CA -0.613 57.378 58.000 -0.015 0.000 0.945 202 F CB 0.874 39.804 39.000 -0.116 0.000 1.298 202 F HN 0.570 nan 8.300 nan 0.000 0.455 203 Y N 0.214 120.757 120.300 0.405 0.000 2.896 203 Y HA 0.004 4.546 4.550 -0.012 0.000 0.466 203 Y C 1.398 177.498 175.900 0.334 0.000 1.196 203 Y CA 0.735 59.004 58.100 0.281 0.000 2.514 203 Y CB -1.880 36.673 38.460 0.156 0.000 1.231 203 Y HN 1.352 nan 8.280 nan 0.000 0.632 204 G N 0.645 109.674 108.800 0.382 0.000 2.642 204 G HA2 0.112 4.064 3.960 -0.013 0.000 0.231 204 G HA3 0.112 4.064 3.960 -0.013 0.000 0.231 204 G C -0.542 174.543 174.900 0.309 0.000 1.338 204 G CA 0.892 46.141 45.100 0.248 0.000 0.883 204 G HN 1.372 nan 8.290 nan 0.000 0.570 205 R N -2.571 118.107 120.500 0.298 0.000 2.766 205 R HA 0.724 5.056 4.340 -0.013 0.000 0.270 205 R C -1.539 174.885 176.300 0.207 0.000 1.035 205 R CA -0.881 55.348 56.100 0.214 0.000 0.911 205 R CB 1.270 31.645 30.300 0.125 0.000 1.243 205 R HN 0.951 nan 8.270 nan 0.000 0.460 206 V N 1.017 120.972 119.914 0.068 0.000 2.417 206 V HA 0.354 4.466 4.120 -0.013 0.000 0.291 206 V C -0.322 175.699 176.094 -0.121 0.000 1.024 206 V CA -0.577 61.690 62.300 -0.054 0.000 0.861 206 V CB 1.416 33.132 31.823 -0.179 0.000 0.985 206 V HN 0.667 nan 8.190 nan 0.000 0.436 207 E N 3.348 123.466 120.200 -0.136 0.000 2.151 207 E HA 0.391 4.734 4.350 -0.013 0.000 0.275 207 E C -0.972 175.505 176.600 -0.205 0.000 0.936 207 E CA -0.677 55.663 56.400 -0.100 0.000 0.777 207 E CB 1.001 30.689 29.700 -0.019 0.000 1.108 207 E HN 0.649 nan 8.360 nan 0.000 0.401 208 H N 2.537 121.621 119.070 0.024 0.000 2.685 208 H HA 0.177 4.725 4.556 -0.013 0.000 0.286 208 H C -0.291 175.047 175.328 0.016 0.000 1.102 208 H CA -0.205 55.852 56.048 0.016 0.000 1.254 208 H CB 0.700 30.467 29.762 0.009 0.000 1.397 208 H HN 0.424 nan 8.280 nan 0.000 0.473 209 T N 0.037 114.646 114.554 0.093 0.000 2.824 209 T HA 0.294 4.636 4.350 -0.013 0.000 0.282 209 T C 1.117 175.850 174.700 0.056 0.000 0.993 209 T CA -0.228 61.912 62.100 0.065 0.000 0.967 209 T CB 1.928 70.820 68.868 0.040 0.000 0.960 209 T HN 0.535 nan 8.240 nan 0.000 0.441 210 S N 2.773 118.501 115.700 0.047 0.000 2.746 210 S HA -0.379 4.084 4.470 -0.013 0.000 0.526 210 S C 0.954 175.577 174.600 0.038 0.000 0.959 210 S CA 1.923 60.145 58.200 0.037 0.000 3.281 210 S CB -1.409 61.809 63.200 0.029 0.000 2.286 210 S HN 0.860 nan 8.310 nan 0.000 0.525 211 Q N 2.954 122.776 119.800 0.036 0.000 2.819 211 Q HA 0.562 4.894 4.340 -0.013 0.000 0.392 211 Q C 0.247 176.271 176.000 0.039 0.000 1.088 211 Q CA 0.800 56.624 55.803 0.035 0.000 1.062 211 Q CB 0.403 29.158 28.738 0.028 0.000 1.369 211 Q HN 0.982 nan 8.270 nan 0.000 0.434 212 G N -0.477 108.356 108.800 0.055 0.000 2.406 212 G HA2 0.272 4.225 3.960 -0.013 0.000 0.680 212 G HA3 0.272 4.225 3.960 -0.013 0.000 0.680 212 G C -1.147 173.784 174.900 0.052 0.000 1.338 212 G CA -0.647 44.487 45.100 0.058 0.000 0.941 212 G HN 0.440 nan 8.290 nan 0.000 0.633 213 A N 0.364 123.204 122.820 0.032 0.000 2.302 213 A HA 0.832 5.145 4.320 -0.013 0.000 0.285 213 A C 0.352 177.892 177.584 -0.073 0.000 1.105 213 A CA -0.035 51.948 52.037 -0.089 0.000 0.816 213 A CB 0.864 19.772 19.000 -0.154 0.000 1.067 213 A HN 0.755 nan 8.150 nan 0.000 0.489 214 K N 0.660 121.004 120.400 -0.093 0.000 2.471 214 K HA 0.196 4.508 4.320 -0.013 0.000 0.252 214 K C -1.775 174.860 176.600 0.060 0.000 0.938 214 K CA -0.390 55.890 56.287 -0.012 0.000 0.796 214 K CB 1.898 34.394 32.500 -0.006 0.000 1.161 214 K HN 0.730 nan 8.250 nan 0.000 0.425 215 W N 4.993 126.210 121.300 -0.139 0.000 2.358 215 W HA 0.356 5.008 4.660 -0.013 0.000 0.307 215 W C -0.992 175.455 176.519 -0.122 0.000 1.203 215 W CA -0.597 56.667 57.345 -0.135 0.000 1.279 215 W CB 0.424 29.791 29.460 -0.155 0.000 1.264 215 W HN 0.196 nan 8.180 nan 0.000 0.474 216 V N 6.375 126.374 119.914 0.141 0.000 3.126 216 V HA 0.340 4.453 4.120 -0.013 0.000 0.314 216 V C -0.495 175.569 176.094 -0.049 0.000 1.138 216 V CA -0.611 61.676 62.300 -0.021 0.000 1.034 216 V CB 2.097 33.933 31.823 0.022 0.000 1.075 216 V HN 0.452 nan 8.190 nan 0.000 0.442 217 D N 1.414 121.775 120.400 -0.064 0.000 2.689 217 D HA -0.130 4.503 4.640 -0.013 0.000 0.237 217 D C 0.390 176.636 176.300 -0.090 0.000 1.148 217 D CA 1.384 55.346 54.000 -0.062 0.000 0.656 217 D CB -1.211 39.582 40.800 -0.012 0.000 1.050 217 D HN 0.854 nan 8.370 nan 0.000 0.426 218 T N -3.130 111.325 114.554 -0.166 0.000 2.918 218 T HA 0.409 4.751 4.350 -0.013 0.000 0.283 218 T C 0.230 174.892 174.700 -0.063 0.000 1.001 218 T CA -0.900 61.109 62.100 -0.152 0.000 1.041 218 T CB 2.595 71.212 68.868 -0.419 0.000 1.028 218 T HN 0.210 nan 8.240 nan 0.000 0.511 219 Q N 1.243 121.080 119.800 0.062 0.000 2.257 219 Q HA 0.514 4.846 4.340 -0.013 0.000 0.255 219 Q C -1.442 174.614 176.000 0.093 0.000 0.920 219 Q CA -0.821 55.024 55.803 0.071 0.000 0.927 219 Q CB 1.208 30.073 28.738 0.212 0.000 1.229 219 Q HN 0.622 nan 8.270 nan 0.000 0.433 220 V N 4.478 124.403 119.914 0.017 0.000 2.427 220 V HA 0.434 4.547 4.120 -0.013 0.000 0.286 220 V C -0.384 175.755 176.094 0.076 0.000 1.034 220 V CA -0.603 61.667 62.300 -0.049 0.000 0.893 220 V CB 1.686 33.439 31.823 -0.117 0.000 0.982 220 V HN 0.640 nan 8.190 nan 0.000 0.452 221 V N 6.001 125.994 119.914 0.131 0.000 2.656 221 V HA 0.493 4.605 4.120 -0.013 0.000 0.307 221 V C -0.235 175.969 176.094 0.183 0.000 1.051 221 V CA -0.614 61.806 62.300 0.200 0.000 0.893 221 V CB 1.968 33.988 31.823 0.329 0.000 0.999 221 V HN 0.633 nan 8.190 nan 0.000 0.426 222 L N 3.547 124.877 121.223 0.179 0.000 2.334 222 L HA 0.787 5.119 4.340 -0.013 0.000 0.277 222 L C 0.385 177.443 176.870 0.313 0.000 1.075 222 L CA -0.461 54.483 54.840 0.173 0.000 0.804 222 L CB 1.458 43.597 42.059 0.134 0.000 1.174 222 L HN 0.738 nan 8.230 nan 0.000 0.438 223 A N 4.776 127.734 122.820 0.231 0.000 2.267 223 A HA 0.590 4.902 4.320 -0.013 0.000 0.315 223 A C -0.481 177.370 177.584 0.446 0.000 1.297 223 A CA -0.479 51.736 52.037 0.296 0.000 0.865 223 A CB 0.951 19.712 19.000 -0.399 0.000 1.165 223 A HN 0.800 nan 8.150 nan 0.000 0.513 224 M N 6.095 126.009 119.600 0.524 0.000 2.129 224 M HA 0.488 4.960 4.480 -0.013 0.000 0.348 224 M C -2.605 173.971 176.300 0.459 0.000 1.116 224 M CA -2.008 53.541 55.300 0.415 0.000 1.022 224 M CB 1.884 34.651 32.600 0.278 0.000 1.599 224 M HN 0.343 nan 8.290 nan 0.000 0.449 225 P HA 0.265 nan 4.420 nan 0.000 0.282 225 P C -1.945 175.302 177.300 -0.088 0.000 1.249 225 P CA -0.029 63.004 63.100 -0.111 0.000 0.806 225 P CB 0.568 31.990 31.700 -0.463 0.000 0.984 226 Y N 0.316 120.550 120.300 -0.110 0.000 2.346 226 Y HA 0.294 4.837 4.550 -0.013 0.000 0.332 226 Y C 0.002 175.894 175.900 -0.015 0.000 0.985 226 Y CA -0.360 57.738 58.100 -0.003 0.000 1.112 226 Y CB 1.409 39.899 38.460 0.049 0.000 1.170 226 Y HN 0.207 nan 8.280 nan 0.000 0.447 227 D N 2.142 122.659 120.400 0.195 0.000 2.198 227 D HA 0.392 5.025 4.640 -0.013 0.000 0.245 227 D C -0.527 176.015 176.300 0.403 0.000 1.079 227 D CA -0.140 54.021 54.000 0.268 0.000 0.854 227 D CB 1.729 42.720 40.800 0.319 0.000 1.148 227 D HN 0.357 nan 8.370 nan 0.000 0.456 228 T N 3.204 117.893 114.554 0.224 0.000 2.824 228 T HA 0.469 4.812 4.350 -0.013 0.000 0.282 228 T C -2.525 172.023 174.700 -0.254 0.000 0.993 228 T CA -1.487 60.641 62.100 0.047 0.000 0.967 228 T CB 2.059 70.948 68.868 0.035 0.000 0.960 228 T HN 0.174 nan 8.240 nan 0.000 0.441 229 P HA 0.333 nan 4.420 nan 0.000 0.279 229 P C -1.022 175.960 177.300 -0.531 0.000 1.239 229 P CA -0.409 62.039 63.100 -1.086 0.000 0.789 229 P CB 0.847 31.665 31.700 -1.469 0.000 0.933 230 V N 5.259 124.924 119.914 -0.416 0.000 2.289 230 V HA 0.258 4.370 4.120 -0.013 0.000 0.272 230 V C -2.077 173.895 176.094 -0.204 0.000 1.026 230 V CA -1.893 60.257 62.300 -0.250 0.000 0.807 230 V CB 1.357 33.083 31.823 -0.162 0.000 1.044 230 V HN 0.545 nan 8.190 nan 0.000 0.443 231 P HA 0.260 nan 4.420 nan 0.000 0.281 231 P C 0.396 177.649 177.300 -0.077 0.000 1.252 231 P CA 0.341 63.359 63.100 -0.137 0.000 0.778 231 P CB 1.662 33.276 31.700 -0.143 0.000 0.895 232 G N 2.440 111.211 108.800 -0.048 0.000 2.599 232 G HA2 0.129 4.082 3.960 -0.013 0.000 0.264 232 G HA3 0.129 4.082 3.960 -0.013 0.000 0.264 232 G C -1.163 173.751 174.900 0.023 0.000 1.200 232 G CA -0.434 44.666 45.100 -0.000 0.000 0.896 232 G HN 0.490 nan 8.290 nan 0.000 0.536 233 Y N 0.377 120.642 120.300 -0.058 0.000 2.584 233 Y HA 0.310 4.852 4.550 -0.013 0.000 0.351 233 Y C 1.271 177.136 175.900 -0.058 0.000 1.030 233 Y CA -0.431 57.630 58.100 -0.065 0.000 1.332 233 Y CB 0.142 38.562 38.460 -0.066 0.000 1.148 233 Y HN 0.706 nan 8.280 nan 0.000 0.528 234 R N 2.899 123.052 120.500 -0.579 0.000 3.610 234 R HA -0.315 4.017 4.340 -0.013 0.000 0.274 234 R C -0.008 176.138 176.300 -0.257 0.000 1.123 234 R CA 1.497 57.293 56.100 -0.506 0.000 0.747 234 R CB -1.851 27.963 30.300 -0.811 0.000 1.149 234 R HN 0.950 nan 8.270 nan 0.000 0.471 235 N N -1.555 117.053 118.700 -0.154 0.000 2.170 235 N HA 0.079 4.812 4.740 -0.013 0.000 0.222 235 N C -0.264 175.199 175.510 -0.079 0.000 1.218 235 N CA -0.361 52.634 53.050 -0.091 0.000 0.889 235 N CB 0.556 39.015 38.487 -0.047 0.000 1.083 235 N HN 0.076 nan 8.380 nan 0.000 0.520 236 N N -0.178 118.472 118.700 -0.084 0.000 2.800 236 N HA -0.129 4.603 4.740 -0.013 0.000 0.250 236 N C -1.120 174.351 175.510 -0.065 0.000 1.078 236 N CA 0.540 53.550 53.050 -0.066 0.000 0.804 236 N CB -1.321 37.129 38.487 -0.062 0.000 1.135 236 N HN 0.203 nan 8.380 nan 0.000 0.565 237 V N 1.044 120.923 119.914 -0.059 0.000 2.427 237 V HA 0.504 4.616 4.120 -0.013 0.000 0.286 237 V C 0.410 176.477 176.094 -0.045 0.000 1.034 237 V CA -0.581 61.689 62.300 -0.049 0.000 0.893 237 V CB 2.239 34.055 31.823 -0.012 0.000 0.982 237 V HN -0.045 nan 8.190 nan 0.000 0.452 238 V N 5.465 125.359 119.914 -0.034 0.000 2.398 238 V HA 0.436 4.548 4.120 -0.013 0.000 0.282 238 V C -0.066 176.029 176.094 0.001 0.000 1.014 238 V CA -0.847 61.411 62.300 -0.070 0.000 0.838 238 V CB 1.418 33.187 31.823 -0.089 0.000 1.018 238 V HN 0.828 nan 8.190 nan 0.000 0.432 239 N N 1.959 120.636 118.700 -0.038 0.000 2.418 239 N HA 0.551 5.284 4.740 -0.013 0.000 0.283 239 N C 0.003 175.529 175.510 0.026 0.000 1.267 239 N CA -0.227 52.829 53.050 0.011 0.000 0.975 239 N CB 1.077 39.532 38.487 -0.054 0.000 1.167 239 N HN 0.580 nan 8.380 nan 0.000 0.581 240 T N 0.754 115.345 114.554 0.062 0.000 2.841 240 T HA 0.406 4.749 4.350 -0.013 0.000 0.283 240 T C -0.316 174.392 174.700 0.014 0.000 1.000 240 T CA -0.509 61.696 62.100 0.175 0.000 0.977 240 T CB 1.016 70.116 68.868 0.387 0.000 0.979 240 T HN 0.321 nan 8.240 nan 0.000 0.446 241 M N 3.877 123.441 119.600 -0.060 0.000 2.066 241 M HA 0.495 4.968 4.480 -0.013 0.000 0.340 241 M C -0.442 175.720 176.300 -0.231 0.000 1.053 241 M CA -0.743 54.426 55.300 -0.219 0.000 0.983 241 M CB 0.591 33.011 32.600 -0.300 0.000 1.520 241 M HN 0.463 nan 8.290 nan 0.000 0.428 242 R N 4.722 124.965 120.500 -0.427 0.000 2.229 242 R HA 0.515 4.847 4.340 -0.013 0.000 0.332 242 R C -1.872 174.126 176.300 -0.504 0.000 0.989 242 R CA -0.569 55.217 56.100 -0.522 0.000 0.842 242 R CB 0.788 30.567 30.300 -0.869 0.000 1.119 242 R HN 0.642 nan 8.270 nan 0.000 0.456 243 L N 5.660 126.706 121.223 -0.295 0.000 2.296 243 L HA 0.454 4.787 4.340 -0.013 0.000 0.286 243 L C -0.968 175.865 176.870 -0.062 0.000 1.023 243 L CA -0.525 54.244 54.840 -0.118 0.000 0.812 243 L CB 1.096 43.172 42.059 0.027 0.000 1.223 243 L HN 0.623 nan 8.230 nan 0.000 0.421 244 W N 2.322 123.746 121.300 0.207 0.000 2.376 244 W HA 0.611 5.264 4.660 -0.012 0.000 0.322 244 W C 0.530 177.283 176.519 0.389 0.000 1.160 244 W CA -0.293 57.202 57.345 0.250 0.000 1.218 244 W CB 1.425 30.899 29.460 0.023 0.000 1.205 244 W HN 0.406 nan 8.180 nan 0.000 0.559 245 S N 1.414 117.550 115.700 0.726 0.000 2.513 245 S HA 0.772 5.234 4.470 -0.013 0.000 0.299 245 S C -0.504 174.461 174.600 0.608 0.000 1.087 245 S CA -0.712 57.817 58.200 0.548 0.000 1.012 245 S CB 0.747 64.226 63.200 0.465 0.000 1.044 245 S HN 0.511 nan 8.310 nan 0.000 0.485 246 A N 4.328 127.338 122.820 0.316 0.000 2.331 246 A HA 0.682 4.994 4.320 -0.013 0.000 0.283 246 A C -0.147 177.537 177.584 0.167 0.000 1.142 246 A CA -0.260 51.866 52.037 0.149 0.000 0.812 246 A CB 0.416 19.254 19.000 -0.270 0.000 1.074 246 A HN 0.637 nan 8.150 nan 0.000 0.497 247 K N 0.918 121.432 120.400 0.189 0.000 2.464 247 K HA 0.603 4.915 4.320 -0.013 0.000 0.253 247 K C -0.740 175.930 176.600 0.117 0.000 0.933 247 K CA -0.452 55.922 56.287 0.144 0.000 0.801 247 K CB 2.316 34.914 32.500 0.163 0.000 1.271 247 K HN 0.852 nan 8.250 nan 0.000 0.430 248 A N 4.134 127.006 122.820 0.086 0.000 2.354 248 A HA 0.505 4.818 4.320 -0.013 0.000 0.269 248 A C -2.188 175.444 177.584 0.079 0.000 1.109 248 A CA -1.166 50.917 52.037 0.077 0.000 0.800 248 A CB -0.109 18.926 19.000 0.057 0.000 1.045 248 A HN 0.340 nan 8.150 nan 0.000 0.489 249 P HA 0.087 nan 4.420 nan 0.000 0.272 249 P C 0.024 177.369 177.300 0.075 0.000 1.223 249 P CA -0.363 62.786 63.100 0.083 0.000 0.784 249 P CB 0.661 32.422 31.700 0.101 0.000 0.923 250 N N 0.965 119.699 118.700 0.058 0.000 2.412 250 N HA -0.085 4.647 4.740 -0.013 0.000 0.184 250 N C 0.562 176.097 175.510 0.042 0.000 1.101 250 N CA 0.390 53.468 53.050 0.047 0.000 0.881 250 N CB -0.404 38.106 38.487 0.037 0.000 0.969 250 N HN 0.408 nan 8.380 nan 0.000 0.459 251 D N 0.909 121.333 120.400 0.040 0.000 2.099 251 D HA -0.115 4.517 4.640 -0.013 0.000 0.278 251 D C 1.452 177.766 176.300 0.023 0.000 1.140 251 D CA 0.055 54.048 54.000 -0.012 0.000 0.894 251 D CB -0.969 39.794 40.800 -0.062 0.000 0.945 251 D HN -0.043 nan 8.370 nan 0.000 0.338 252 F N 1.022 120.991 119.950 0.032 0.000 2.141 252 F HA -0.172 4.348 4.527 -0.013 0.000 0.300 252 F C 1.586 177.411 175.800 0.042 0.000 1.079 252 F CA 1.327 59.352 58.000 0.042 0.000 1.264 252 F CB -1.063 37.962 39.000 0.041 0.000 1.011 252 F HN 0.102 nan 8.300 nan 0.000 0.487 253 N N 0.581 119.415 118.700 0.223 0.000 3.210 253 N HA 0.106 4.838 4.740 -0.013 0.000 0.314 253 N C 0.798 176.362 175.510 0.090 0.000 1.291 253 N CA 0.170 53.299 53.050 0.132 0.000 1.202 253 N CB -0.042 38.501 38.487 0.094 0.000 1.475 253 N HN 0.118 nan 8.380 nan 0.000 0.554 254 L N -0.566 120.723 121.223 0.109 0.000 1.433 254 L HA -0.122 4.211 4.340 -0.013 0.000 0.146 254 L C 1.340 178.272 176.870 0.104 0.000 1.334 254 L CA 0.868 55.760 54.840 0.085 0.000 1.267 254 L CB -0.973 41.127 42.059 0.068 0.000 2.547 254 L HN 0.290 nan 8.230 nan 0.000 0.476 255 K N 0.368 120.804 120.400 0.060 0.000 2.366 255 K HA -0.038 4.274 4.320 -0.013 0.000 0.198 255 K C 0.491 177.130 176.600 0.066 0.000 1.044 255 K CA 1.066 57.339 56.287 -0.023 0.000 0.973 255 K CB -0.045 32.323 32.500 -0.219 0.000 0.767 255 K HN 0.161 nan 8.250 nan 0.000 0.475 256 D N 2.064 122.614 120.400 0.249 0.000 2.398 256 D HA -0.016 4.617 4.640 -0.013 0.000 0.250 256 D C -0.226 176.292 176.300 0.363 0.000 1.287 256 D CA -0.194 54.054 54.000 0.413 0.000 0.992 256 D CB -0.094 40.985 40.800 0.464 0.000 1.071 256 D HN 0.200 nan 8.370 nan 0.000 0.514 257 F N 1.447 121.439 119.950 0.069 0.000 2.373 257 F HA 0.332 4.852 4.527 -0.013 0.000 0.302 257 F C 0.561 176.390 175.800 0.048 0.000 1.247 257 F CA -1.912 56.118 58.000 0.050 0.000 1.169 257 F CB -0.274 38.742 39.000 0.028 0.000 1.309 257 F HN 0.362 nan 8.300 nan 0.000 0.537 258 N N -0.578 118.000 118.700 -0.204 0.000 3.506 258 N HA 0.060 4.793 4.740 -0.013 0.000 0.257 258 N C -1.739 173.707 175.510 -0.107 0.000 1.059 258 N CA 0.473 53.342 53.050 -0.302 0.000 0.672 258 N CB -0.923 37.240 38.487 -0.540 0.000 1.178 258 N HN 0.828 nan 8.380 nan 0.000 0.593 259 V N -1.627 118.276 119.914 -0.019 0.000 3.553 259 V HA -0.024 4.088 4.120 -0.013 0.000 0.508 259 V C 1.287 177.388 176.094 0.013 0.000 0.682 259 V CA 1.556 63.859 62.300 0.005 0.000 2.060 259 V CB -0.887 30.928 31.823 -0.013 0.000 2.485 259 V HN 0.961 nan 8.190 nan 0.000 0.510 260 G N 1.162 109.979 108.800 0.028 0.000 3.758 260 G HA2 0.681 4.633 3.960 -0.013 0.000 0.206 260 G HA3 0.681 4.633 3.960 -0.013 0.000 0.206 260 G C 0.869 175.789 174.900 0.033 0.000 0.946 260 G CA 1.242 46.357 45.100 0.024 0.000 0.885 260 G HN 2.980 nan 8.290 nan 0.000 0.392 261 G N -1.024 107.811 108.800 0.057 0.000 3.014 261 G HA2 0.268 4.220 3.960 -0.013 0.000 0.683 261 G HA3 0.268 4.220 3.960 -0.013 0.000 0.683 261 G C -0.092 174.865 174.900 0.096 0.000 1.271 261 G CA 0.195 45.339 45.100 0.074 0.000 0.843 261 G HN 1.384 nan 8.290 nan 0.000 0.612 262 Y N 3.200 123.515 120.300 0.026 0.000 2.220 262 Y HA 0.023 4.566 4.550 -0.012 0.000 0.291 262 Y C 2.497 178.412 175.900 0.024 0.000 1.129 262 Y CA 2.119 60.235 58.100 0.028 0.000 1.161 262 Y CB 0.005 38.479 38.460 0.024 0.000 0.997 262 Y HN 0.485 nan 8.280 nan 0.000 0.522 263 I N 0.557 121.067 120.570 -0.101 0.000 2.179 263 I HA -0.289 3.873 4.170 -0.013 0.000 0.242 263 I C 2.380 178.397 176.117 -0.166 0.000 1.088 263 I CA 1.443 62.634 61.300 -0.181 0.000 1.357 263 I CB -1.367 36.633 38.000 0.001 0.000 1.051 263 I HN 0.352 nan 8.210 nan 0.000 0.409 264 Q N 0.657 120.410 119.800 -0.078 0.000 2.135 264 Q HA -0.142 4.191 4.340 -0.013 0.000 0.204 264 Q C 2.352 178.307 176.000 -0.074 0.000 0.981 264 Q CA 1.953 57.723 55.803 -0.055 0.000 0.856 264 Q CB -0.349 28.378 28.738 -0.020 0.000 0.902 264 Q HN 0.546 nan 8.270 nan 0.000 0.425 265 A N -0.293 122.471 122.820 -0.094 0.000 1.902 265 A HA -0.131 4.181 4.320 -0.013 0.000 0.217 265 A C 2.369 179.883 177.584 -0.117 0.000 1.181 265 A CA 1.644 53.634 52.037 -0.079 0.000 0.623 265 A CB -0.560 18.408 19.000 -0.053 0.000 0.818 265 A HN 0.237 nan 8.150 nan 0.000 0.443 266 V N 0.050 119.828 119.914 -0.228 0.000 2.453 266 V HA -0.166 3.947 4.120 -0.013 0.000 0.247 266 V C 2.431 178.461 176.094 -0.107 0.000 1.048 266 V CA 1.559 63.740 62.300 -0.198 0.000 1.049 266 V CB -0.584 31.044 31.823 -0.325 0.000 0.672 266 V HN 0.558 nan 8.190 nan 0.000 0.457 267 L N -0.347 120.817 121.223 -0.098 0.000 2.217 267 L HA -0.096 4.237 4.340 -0.013 0.000 0.211 267 L C 1.841 178.692 176.870 -0.032 0.000 1.107 267 L CA 1.075 55.883 54.840 -0.053 0.000 0.783 267 L CB -0.569 41.463 42.059 -0.045 0.000 0.919 267 L HN 0.322 nan 8.230 nan 0.000 0.442 268 D N 0.015 120.394 120.400 -0.034 0.000 2.363 268 D HA -0.048 4.585 4.640 -0.013 0.000 0.226 268 D C 2.106 178.401 176.300 -0.008 0.000 1.020 268 D CA 0.378 54.367 54.000 -0.018 0.000 0.892 268 D CB 0.087 40.878 40.800 -0.015 0.000 0.900 268 D HN 0.202 nan 8.370 nan 0.000 0.531 269 R N 0.438 120.932 120.500 -0.009 0.000 2.152 269 R HA 0.008 4.340 4.340 -0.013 0.000 0.232 269 R C 0.393 176.700 176.300 0.011 0.000 1.117 269 R CA 0.555 56.659 56.100 0.007 0.000 0.981 269 R CB -0.052 30.252 30.300 0.007 0.000 0.870 269 R HN 0.072 nan 8.270 nan 0.000 0.451 270 N N 1.081 119.786 118.700 0.008 0.000 3.178 270 N HA 0.012 4.745 4.740 -0.013 0.000 0.300 270 N C 0.021 175.536 175.510 0.007 0.000 1.242 270 N CA 0.458 53.517 53.050 0.015 0.000 1.192 270 N CB 1.094 39.593 38.487 0.019 0.000 1.463 270 N HN 0.108 nan 8.380 nan 0.000 0.539 271 L N -0.506 120.717 121.223 0.001 0.000 3.610 271 L HA 0.221 4.554 4.340 -0.013 0.000 0.362 271 L C 1.570 178.423 176.870 -0.027 0.000 1.003 271 L CA 0.462 55.296 54.840 -0.009 0.000 1.443 271 L CB -0.101 41.952 42.059 -0.009 0.000 2.184 271 L HN 0.245 nan 8.230 nan 0.000 0.613 272 A N -0.890 121.918 122.820 -0.020 0.000 2.063 272 A HA 0.138 4.450 4.320 -0.013 0.000 0.211 272 A C 1.679 179.231 177.584 -0.055 0.000 1.177 272 A CA 0.652 52.665 52.037 -0.039 0.000 0.759 272 A CB -0.062 18.944 19.000 0.009 0.000 0.857 272 A HN 0.374 nan 8.150 nan 0.000 0.468 273 E N 0.282 120.471 120.200 -0.018 0.000 2.478 273 E HA -0.020 4.323 4.350 -0.013 0.000 0.194 273 E C 0.747 177.343 176.600 -0.006 0.000 1.045 273 E CA -0.068 56.329 56.400 -0.006 0.000 0.868 273 E CB -0.013 29.707 29.700 0.034 0.000 0.885 273 E HN 0.387 nan 8.360 nan 0.000 0.505 274 N N 0.858 119.552 118.700 -0.011 0.000 2.512 274 N HA -0.027 4.705 4.740 -0.013 0.000 0.183 274 N C 1.511 177.024 175.510 0.004 0.000 1.073 274 N CA 0.475 53.535 53.050 0.018 0.000 0.911 274 N CB 0.081 38.576 38.487 0.013 0.000 0.964 274 N HN 0.242 nan 8.380 nan 0.000 0.447 275 I N 0.197 120.713 120.570 -0.089 0.000 2.264 275 I HA -0.228 3.934 4.170 -0.013 0.000 0.248 275 I C 1.326 177.406 176.117 -0.060 0.000 1.111 275 I CA 1.177 62.388 61.300 -0.147 0.000 1.382 275 I CB -0.077 37.670 38.000 -0.420 0.000 1.060 275 I HN 0.117 nan 8.210 nan 0.000 0.418 276 S N -0.603 115.065 115.700 -0.053 0.000 2.574 276 S HA 0.189 4.651 4.470 -0.013 0.000 0.242 276 S C 1.436 176.171 174.600 0.226 0.000 0.982 276 S CA -0.601 57.650 58.200 0.086 0.000 0.977 276 S CB 0.191 63.427 63.200 0.060 0.000 0.814 276 S HN 0.243 nan 8.310 nan 0.000 0.464 277 R N 0.919 121.556 120.500 0.228 0.000 2.075 277 R HA 0.286 4.619 4.340 -0.013 0.000 0.226 277 R C 0.370 176.923 176.300 0.423 0.000 1.114 277 R CA 1.076 57.353 56.100 0.295 0.000 0.972 277 R CB -0.014 30.431 30.300 0.241 0.000 0.869 277 R HN 0.385 nan 8.270 nan 0.000 0.437 278 V N 0.451 120.571 119.914 0.343 0.000 2.888 278 V HA 0.366 4.479 4.120 -0.013 0.000 0.309 278 V C -1.537 174.517 176.094 -0.067 0.000 1.114 278 V CA -1.315 61.109 62.300 0.206 0.000 0.940 278 V CB 1.829 33.702 31.823 0.083 0.000 1.021 278 V HN 0.171 nan 8.190 nan 0.000 0.426 279 L N 6.069 127.007 121.223 -0.476 0.000 2.371 279 L HA 0.525 4.857 4.340 -0.013 0.000 0.272 279 L C -0.973 175.717 176.870 -0.300 0.000 1.124 279 L CA 0.329 54.660 54.840 -0.849 0.000 0.816 279 L CB 0.834 42.272 42.059 -1.036 0.000 1.129 279 L HN 0.691 nan 8.230 nan 0.000 0.448 280 Y N 5.979 126.189 120.300 -0.150 0.000 2.436 280 Y HA 0.248 4.790 4.550 -0.013 0.000 0.336 280 Y C -1.438 174.458 175.900 -0.007 0.000 1.049 280 Y CA -1.397 56.693 58.100 -0.018 0.000 1.294 280 Y CB 0.507 38.985 38.460 0.031 0.000 1.179 280 Y HN 0.556 nan 8.280 nan 0.000 0.520 281 P HA -0.005 nan 4.420 nan 0.000 0.258 281 P C -0.887 176.542 177.300 0.216 0.000 1.559 281 P CA 0.219 63.426 63.100 0.179 0.000 0.855 281 P CB -0.006 31.889 31.700 0.325 0.000 1.594 282 N N 1.181 120.018 118.700 0.229 0.000 2.456 282 N HA 0.163 4.895 4.740 -0.013 0.000 0.288 282 N C -0.513 175.148 175.510 0.251 0.000 1.059 282 N CA 0.113 53.318 53.050 0.259 0.000 0.946 282 N CB 1.311 39.990 38.487 0.320 0.000 1.150 282 N HN 0.098 nan 8.380 nan 0.000 0.479 283 D N 1.816 122.398 120.400 0.304 0.000 2.425 283 D HA 0.142 4.774 4.640 -0.013 0.000 0.240 283 D C -0.442 176.152 176.300 0.491 0.000 1.080 283 D CA -0.198 54.014 54.000 0.352 0.000 0.836 283 D CB 0.424 41.441 40.800 0.362 0.000 1.125 283 D HN 0.373 nan 8.370 nan 0.000 0.525 284 N N 2.884 121.791 118.700 0.345 0.000 2.738 284 N HA -0.253 4.480 4.740 -0.013 0.000 0.249 284 N C -1.235 174.514 175.510 0.398 0.000 1.047 284 N CA 0.717 53.935 53.050 0.281 0.000 0.707 284 N CB -0.993 37.575 38.487 0.136 0.000 0.937 284 N HN 0.414 nan 8.380 nan 0.000 0.545 285 F N 0.743 120.800 119.950 0.178 0.000 2.622 285 F HA 0.417 4.936 4.527 -0.013 0.000 0.318 285 F C -1.395 174.493 175.800 0.145 0.000 1.135 285 F CA -1.117 56.961 58.000 0.129 0.000 1.015 285 F CB 0.828 39.869 39.000 0.068 0.000 1.275 285 F HN -0.050 nan 8.300 nan 0.000 0.457 286 F N 5.831 125.361 119.950 -0.700 0.000 2.410 286 F HA 0.529 5.048 4.527 -0.013 0.000 0.349 286 F C -0.528 174.885 175.800 -0.645 0.000 1.117 286 F CA -0.339 57.330 58.000 -0.551 0.000 1.104 286 F CB 0.916 39.622 39.000 -0.490 0.000 1.122 286 F HN 0.519 nan 8.300 nan 0.000 0.483 287 E N 3.646 123.258 120.200 -0.979 0.000 2.155 287 E HA 0.309 4.652 4.350 -0.013 0.000 0.264 287 E C -0.170 175.686 176.600 -1.241 0.000 0.886 287 E CA -0.658 55.231 56.400 -0.851 0.000 0.752 287 E CB 1.371 30.920 29.700 -0.251 0.000 1.133 287 E HN 0.936 nan 8.360 nan 0.000 0.414 288 G N 4.592 112.622 108.800 -1.283 0.000 3.316 288 G HA2 0.035 3.988 3.960 -0.013 0.000 0.255 288 G HA3 0.035 3.988 3.960 -0.013 0.000 0.255 288 G C 0.071 174.921 174.900 -0.085 0.000 0.880 288 G CA -0.211 44.352 45.100 -0.895 0.000 1.956 288 G HN 0.127 nan 8.290 nan 0.000 0.634 289 K N 0.375 120.784 120.400 0.016 0.000 2.110 289 K HA 0.217 4.529 4.320 -0.013 0.000 0.263 289 K C 0.949 177.684 176.600 0.225 0.000 0.975 289 K CA -0.803 55.565 56.287 0.134 0.000 0.895 289 K CB 2.224 34.804 32.500 0.134 0.000 1.060 289 K HN 0.409 nan 8.250 nan 0.000 0.448 290 E N 1.388 121.681 120.200 0.155 0.000 2.110 290 E HA -0.196 4.147 4.350 -0.013 0.000 0.193 290 E C 1.470 178.098 176.600 0.046 0.000 0.988 290 E CA 0.855 57.296 56.400 0.069 0.000 0.804 290 E CB 0.175 29.917 29.700 0.070 0.000 0.745 290 E HN 0.392 nan 8.360 nan 0.000 0.458 291 L N 1.383 122.681 121.223 0.125 0.000 2.042 291 L HA -0.181 4.152 4.340 -0.013 0.000 0.210 291 L C 2.405 179.391 176.870 0.194 0.000 1.076 291 L CA 1.635 56.573 54.840 0.163 0.000 0.749 291 L CB -0.576 41.646 42.059 0.272 0.000 0.893 291 L HN 0.029 nan 8.230 nan 0.000 0.432 292 R N -0.383 120.202 120.500 0.141 0.000 2.080 292 R HA -0.154 4.179 4.340 -0.013 0.000 0.236 292 R C 2.257 178.616 176.300 0.097 0.000 1.137 292 R CA 1.895 58.004 56.100 0.015 0.000 0.943 292 R CB -1.363 28.777 30.300 -0.266 0.000 0.846 292 R HN 0.430 nan 8.270 nan 0.000 0.431 293 L N 1.480 122.670 121.223 -0.055 0.000 2.079 293 L HA -0.158 4.174 4.340 -0.013 0.000 0.210 293 L C 1.979 178.797 176.870 -0.088 0.000 1.081 293 L CA 1.933 56.539 54.840 -0.390 0.000 0.752 293 L CB -0.402 41.115 42.059 -0.904 0.000 0.896 293 L HN 0.077 nan 8.230 nan 0.000 0.433 294 K N -1.130 119.270 120.400 0.001 0.000 2.057 294 K HA -0.167 4.146 4.320 -0.013 0.000 0.206 294 K C 2.105 178.866 176.600 0.268 0.000 1.050 294 K CA 1.655 58.017 56.287 0.124 0.000 0.935 294 K CB -0.126 32.292 32.500 -0.137 0.000 0.715 294 K HN 0.501 nan 8.250 nan 0.000 0.439 295 Q N 0.404 120.332 119.800 0.213 0.000 2.084 295 Q HA -0.194 4.138 4.340 -0.013 0.000 0.202 295 Q C 1.901 178.099 176.000 0.329 0.000 0.978 295 Q CA 1.405 57.384 55.803 0.294 0.000 0.844 295 Q CB 0.000 28.936 28.738 0.330 0.000 0.898 295 Q HN 0.373 nan 8.270 nan 0.000 0.426 296 E N -0.186 120.163 120.200 0.248 0.000 2.077 296 E HA -0.209 4.133 4.350 -0.013 0.000 0.193 296 E C 1.708 178.420 176.600 0.188 0.000 0.989 296 E CA 1.039 57.567 56.400 0.213 0.000 0.800 296 E CB -0.101 29.701 29.700 0.170 0.000 0.746 296 E HN 0.319 nan 8.360 nan 0.000 0.452 297 Y N 0.174 120.517 120.300 0.071 0.000 2.263 297 Y HA -0.188 4.355 4.550 -0.012 0.000 0.292 297 Y C 1.903 177.827 175.900 0.040 0.000 1.130 297 Y CA 0.957 59.050 58.100 -0.013 0.000 1.179 297 Y CB -0.325 38.081 38.460 -0.089 0.000 0.998 297 Y HN 0.028 nan 8.280 nan 0.000 0.532 298 F N -0.274 119.655 119.950 -0.035 0.000 2.065 298 F HA -0.243 4.276 4.527 -0.013 0.000 0.298 298 F C 2.459 178.100 175.800 -0.265 0.000 1.112 298 F CA 2.067 60.004 58.000 -0.104 0.000 1.212 298 F CB -1.068 38.024 39.000 0.154 0.000 0.975 298 F HN -0.076 nan 8.300 nan 0.000 0.476 299 V N -0.483 119.369 119.914 -0.103 0.000 2.515 299 V HA -0.180 3.933 4.120 -0.013 0.000 0.250 299 V C 2.126 178.062 176.094 -0.263 0.000 1.058 299 V CA 1.784 63.984 62.300 -0.167 0.000 1.064 299 V CB -0.315 31.625 31.823 0.195 0.000 0.675 299 V HN 0.279 nan 8.190 nan 0.000 0.461 300 V N 0.287 120.047 119.914 -0.256 0.000 2.283 300 V HA -0.122 3.990 4.120 -0.013 0.000 0.243 300 V C 2.792 178.622 176.094 -0.440 0.000 1.039 300 V CA 1.994 64.133 62.300 -0.268 0.000 1.016 300 V CB -0.963 30.759 31.823 -0.168 0.000 0.650 300 V HN 0.622 nan 8.190 nan 0.000 0.449 301 A N -0.069 122.321 122.820 -0.718 0.000 1.877 301 A HA -0.144 4.168 4.320 -0.013 0.000 0.216 301 A C 2.390 179.609 177.584 -0.609 0.000 1.186 301 A CA 2.271 53.882 52.037 -0.712 0.000 0.620 301 A CB -0.837 17.513 19.000 -1.084 0.000 0.822 301 A HN 0.570 nan 8.150 nan 0.000 0.443 302 A N -1.193 121.111 122.820 -0.861 0.000 1.873 302 A HA -0.057 4.255 4.320 -0.013 0.000 0.215 302 A C 2.315 179.425 177.584 -0.791 0.000 1.186 302 A CA 2.248 53.614 52.037 -1.118 0.000 0.616 302 A CB -1.315 16.397 19.000 -2.147 0.000 0.823 302 A HN 0.421 nan 8.150 nan 0.000 0.442 303 T N 0.454 114.661 114.554 -0.578 0.000 2.720 303 T HA -0.117 4.226 4.350 -0.013 0.000 0.268 303 T C 1.813 176.249 174.700 -0.440 0.000 1.037 303 T CA 1.499 63.399 62.100 -0.333 0.000 1.144 303 T CB -0.384 68.272 68.868 -0.354 0.000 0.864 303 T HN 0.334 nan 8.240 nan 0.000 0.444 304 L N 0.620 121.622 121.223 -0.369 0.000 2.083 304 L HA -0.152 4.181 4.340 -0.013 0.000 0.209 304 L C 2.900 179.644 176.870 -0.209 0.000 1.083 304 L CA 1.366 56.033 54.840 -0.288 0.000 0.752 304 L CB -0.448 41.480 42.059 -0.217 0.000 0.899 304 L HN 0.349 nan 8.230 nan 0.000 0.433 305 Q N -0.693 118.991 119.800 -0.193 0.000 2.124 305 Q HA -0.243 4.089 4.340 -0.013 0.000 0.202 305 Q C 1.705 177.671 176.000 -0.058 0.000 0.977 305 Q CA 1.614 57.354 55.803 -0.105 0.000 0.850 305 Q CB -0.085 28.587 28.738 -0.111 0.000 0.901 305 Q HN 0.404 nan 8.270 nan 0.000 0.429 306 D N 0.458 120.816 120.400 -0.069 0.000 2.144 306 D HA -0.079 4.554 4.640 -0.013 0.000 0.200 306 D C 1.633 177.869 176.300 -0.107 0.000 0.978 306 D CA 0.788 54.785 54.000 -0.006 0.000 0.833 306 D CB 0.036 40.926 40.800 0.150 0.000 0.961 306 D HN 0.164 nan 8.370 nan 0.000 0.470 307 I N 0.021 120.418 120.570 -0.288 0.000 2.202 307 I HA -0.208 3.955 4.170 -0.013 0.000 0.242 307 I C 2.247 178.370 176.117 0.010 0.000 1.091 307 I CA 0.688 61.768 61.300 -0.367 0.000 1.368 307 I CB -0.050 37.564 38.000 -0.644 0.000 1.058 307 I HN 0.008 nan 8.210 nan 0.000 0.410 308 I N 0.312 120.935 120.570 0.088 0.000 2.315 308 I HA -0.281 3.882 4.170 -0.013 0.000 0.248 308 I C 2.757 179.016 176.117 0.235 0.000 1.117 308 I CA 1.073 62.536 61.300 0.272 0.000 1.404 308 I CB -0.348 37.762 38.000 0.185 0.000 1.071 308 I HN 0.196 nan 8.210 nan 0.000 0.419 309 R N 1.158 121.731 120.500 0.120 0.000 2.073 309 R HA -0.205 4.128 4.340 -0.013 0.000 0.234 309 R C 2.444 178.803 176.300 0.097 0.000 1.134 309 R CA 1.611 57.767 56.100 0.094 0.000 0.952 309 R CB -0.254 30.081 30.300 0.059 0.000 0.850 309 R HN 0.204 nan 8.270 nan 0.000 0.433 310 R N -0.672 119.891 120.500 0.104 0.000 2.096 310 R HA -0.157 4.176 4.340 -0.013 0.000 0.235 310 R C 2.143 178.538 176.300 0.157 0.000 1.127 310 R CA 1.690 57.865 56.100 0.125 0.000 0.968 310 R CB -0.321 30.056 30.300 0.128 0.000 0.861 310 R HN 0.271 nan 8.270 nan 0.000 0.440 311 F N 1.555 121.526 119.950 0.035 0.000 2.163 311 F HA -0.091 4.428 4.527 -0.013 0.000 0.297 311 F C 1.690 177.436 175.800 -0.091 0.000 1.094 311 F CA 1.409 59.386 58.000 -0.039 0.000 1.290 311 F CB -0.023 38.992 39.000 0.025 0.000 1.017 311 F HN -0.185 nan 8.300 nan 0.000 0.483 312 K N -0.025 120.280 120.400 -0.159 0.000 2.211 312 K HA -0.114 4.199 4.320 -0.013 0.000 0.204 312 K C 2.123 178.619 176.600 -0.172 0.000 1.047 312 K CA 1.388 57.523 56.287 -0.254 0.000 0.935 312 K CB -0.226 32.255 32.500 -0.032 0.000 0.728 312 K HN 0.280 nan 8.250 nan 0.000 0.452 313 S N 0.182 115.845 115.700 -0.062 0.000 2.303 313 S HA -0.043 4.420 4.470 -0.013 0.000 0.207 313 S C 1.320 175.929 174.600 0.016 0.000 1.025 313 S CA 0.307 58.523 58.200 0.027 0.000 0.953 313 S CB -0.097 63.180 63.200 0.129 0.000 0.932 313 S HN 0.260 nan 8.310 nan 0.000 0.472 314 S N 0.785 116.506 115.700 0.035 0.000 4.134 314 S HA -0.298 4.164 4.470 -0.013 0.000 0.538 314 S C 1.015 175.622 174.600 0.011 0.000 1.224 314 S CA 2.160 60.391 58.200 0.051 0.000 3.613 314 S CB -0.673 62.589 63.200 0.103 0.000 2.065 314 S HN 0.486 nan 8.310 nan 0.000 0.493 315 K N -0.603 119.855 120.400 0.097 0.000 2.483 315 K HA 0.442 4.754 4.320 -0.013 0.000 0.206 315 K C 0.852 177.344 176.600 -0.179 0.000 1.086 315 K CA 0.025 56.259 56.287 -0.089 0.000 1.052 315 K CB 0.246 32.643 32.500 -0.171 0.000 0.904 315 K HN 0.333 nan 8.250 nan 0.000 0.557 316 F N -0.800 119.015 119.950 -0.226 0.000 2.530 316 F HA 0.241 4.760 4.527 -0.013 0.000 0.292 316 F C 1.782 177.463 175.800 -0.198 0.000 1.109 316 F CA 0.165 58.016 58.000 -0.247 0.000 1.450 316 F CB 0.005 38.740 39.000 -0.442 0.000 1.114 316 F HN -0.006 nan 8.300 nan 0.000 0.560 317 G N -1.633 107.181 108.800 0.022 0.000 3.530 317 G HA2 0.258 4.210 3.960 -0.013 0.000 0.269 317 G HA3 0.258 4.210 3.960 -0.013 0.000 0.269 317 G C 0.344 175.244 174.900 0.000 0.000 1.314 317 G CA 0.388 45.486 45.100 -0.003 0.000 1.441 317 G HN 0.434 nan 8.290 nan 0.000 0.595 318 C N -1.397 117.889 119.300 -0.024 0.000 3.692 318 C HA 0.350 4.802 4.460 -0.013 0.000 0.448 318 C C 1.279 176.237 174.990 -0.053 0.000 1.278 318 C CA 0.771 59.768 59.018 -0.035 0.000 2.229 318 C CB 0.490 28.198 27.740 -0.053 0.000 2.815 318 C HN 0.593 nan 8.230 nan 0.000 0.440 319 R N 1.014 121.459 120.500 -0.092 0.000 3.039 319 R HA 0.366 4.698 4.340 -0.013 0.000 0.092 319 R C -0.341 175.860 176.300 -0.165 0.000 0.608 319 R CA 1.005 57.043 56.100 -0.103 0.000 0.426 319 R CB -1.016 29.228 30.300 -0.093 0.000 0.385 319 R HN 0.275 nan 8.270 nan 0.000 0.326 320 D N -0.270 119.998 120.400 -0.221 0.000 3.455 320 D HA -0.137 4.496 4.640 -0.013 0.000 0.216 320 D C -1.610 174.589 176.300 -0.168 0.000 1.510 320 D CA 1.503 55.319 54.000 -0.306 0.000 1.128 320 D CB -1.285 39.123 40.800 -0.652 0.000 0.680 320 D HN 0.411 nan 8.370 nan 0.000 0.828 321 P HA 0.046 nan 4.420 nan 0.000 0.222 321 P C 0.375 177.660 177.300 -0.024 0.000 1.147 321 P CA 0.902 63.973 63.100 -0.047 0.000 0.790 321 P CB 0.252 31.952 31.700 0.000 0.000 0.780 322 V N -0.563 119.336 119.914 -0.024 0.000 3.559 322 V HA -0.206 3.906 4.120 -0.013 0.000 0.476 322 V C -0.294 175.813 176.094 0.022 0.000 0.682 322 V CA 1.146 63.443 62.300 -0.005 0.000 1.988 322 V CB -1.266 30.548 31.823 -0.015 0.000 2.423 322 V HN 0.576 nan 8.190 nan 0.000 0.500 323 R N 2.867 123.390 120.500 0.038 0.000 7.995 323 R HA 0.034 4.367 4.340 -0.013 0.000 0.256 323 R C -0.024 176.317 176.300 0.067 0.000 0.802 323 R CA 0.487 56.619 56.100 0.053 0.000 1.968 323 R CB -0.166 30.169 30.300 0.058 0.000 1.186 323 R HN 0.781 nan 8.270 nan 0.000 0.950 324 T N 2.959 117.547 114.554 0.056 0.000 3.057 324 T HA -0.019 4.323 4.350 -0.013 0.000 0.232 324 T C 0.227 174.959 174.700 0.053 0.000 1.018 324 T CA 0.327 62.430 62.100 0.005 0.000 1.506 324 T CB -0.796 68.101 68.868 0.048 0.000 1.063 324 T HN 0.349 nan 8.240 nan 0.000 0.613 325 N N 1.348 120.093 118.700 0.075 0.000 2.420 325 N HA 0.284 5.017 4.740 -0.013 0.000 0.249 325 N C 0.134 175.720 175.510 0.127 0.000 1.033 325 N CA -0.516 52.626 53.050 0.153 0.000 0.944 325 N CB 0.426 39.019 38.487 0.176 0.000 1.113 325 N HN 0.382 nan 8.380 nan 0.000 0.502 326 F N 0.682 120.721 119.950 0.149 0.000 2.769 326 F HA 0.041 4.560 4.527 -0.013 0.000 0.304 326 F C 1.527 177.373 175.800 0.077 0.000 1.158 326 F CA 0.159 58.212 58.000 0.089 0.000 1.398 326 F CB 0.167 39.103 39.000 -0.108 0.000 1.094 326 F HN 0.563 nan 8.300 nan 0.000 0.553 327 D N 0.176 120.713 120.400 0.229 0.000 2.219 327 D HA -0.107 4.525 4.640 -0.013 0.000 0.205 327 D C 2.072 178.473 176.300 0.170 0.000 0.970 327 D CA 1.101 55.204 54.000 0.173 0.000 0.851 327 D CB 0.165 41.055 40.800 0.151 0.000 0.943 327 D HN 0.328 nan 8.370 nan 0.000 0.488 328 A N -0.121 122.836 122.820 0.228 0.000 2.308 328 A HA 0.064 4.376 4.320 -0.013 0.000 0.217 328 A C 1.502 179.125 177.584 0.066 0.000 1.216 328 A CA -0.377 51.803 52.037 0.238 0.000 0.864 328 A CB -0.417 18.893 19.000 0.516 0.000 0.902 328 A HN 0.070 nan 8.150 nan 0.000 0.499 329 F N 2.197 121.971 119.950 -0.294 0.000 2.065 329 F HA -0.096 4.423 4.527 -0.012 0.000 0.298 329 F C -0.871 174.725 175.800 -0.340 0.000 1.112 329 F CA 2.188 59.763 58.000 -0.710 0.000 1.212 329 F CB -0.873 37.806 39.000 -0.534 0.000 0.975 329 F HN 0.183 nan 8.300 nan 0.000 0.476 330 P HA -0.097 nan 4.420 nan 0.000 0.225 330 P C 0.762 177.988 177.300 -0.124 0.000 1.148 330 P CA 1.550 64.570 63.100 -0.133 0.000 0.779 330 P CB -0.072 31.602 31.700 -0.044 0.000 0.780 331 D N -1.109 119.248 120.400 -0.072 0.000 2.323 331 D HA -0.020 4.612 4.640 -0.013 0.000 0.209 331 D C 1.582 177.871 176.300 -0.018 0.000 0.973 331 D CA 0.858 54.852 54.000 -0.009 0.000 0.874 331 D CB 0.076 40.917 40.800 0.069 0.000 0.930 331 D HN 0.109 nan 8.370 nan 0.000 0.521 332 K N -0.135 120.204 120.400 -0.101 0.000 2.391 332 K HA 0.217 4.529 4.320 -0.013 0.000 0.197 332 K C 0.056 176.534 176.600 -0.203 0.000 1.087 332 K CA 0.103 56.344 56.287 -0.076 0.000 1.012 332 K CB 2.102 34.643 32.500 0.068 0.000 0.925 332 K HN -0.048 nan 8.250 nan 0.000 0.547 333 V N 0.675 120.351 119.914 -0.396 0.000 2.876 333 V HA 0.727 4.840 4.120 -0.013 0.000 0.312 333 V C -1.177 174.778 176.094 -0.231 0.000 1.085 333 V CA -1.240 60.828 62.300 -0.387 0.000 0.945 333 V CB 1.971 33.252 31.823 -0.904 0.000 1.017 333 V HN 0.111 nan 8.190 nan 0.000 0.428 334 A N 4.554 127.313 122.820 -0.100 0.000 2.429 334 A HA 0.859 5.172 4.320 -0.013 0.000 0.289 334 A C -1.173 176.413 177.584 0.004 0.000 1.043 334 A CA -0.380 51.631 52.037 -0.043 0.000 0.722 334 A CB 1.236 20.168 19.000 -0.112 0.000 1.243 334 A HN 1.271 nan 8.150 nan 0.000 0.415 335 I N 0.559 121.180 120.570 0.085 0.000 2.406 335 I HA 0.753 4.916 4.170 -0.013 0.000 0.290 335 I C -0.622 175.582 176.117 0.144 0.000 0.999 335 I CA -0.449 60.920 61.300 0.116 0.000 1.124 335 I CB 1.918 39.965 38.000 0.078 0.000 1.289 335 I HN 0.523 nan 8.210 nan 0.000 0.441 336 Q N 5.819 125.710 119.800 0.152 0.000 2.290 336 Q HA 0.525 4.857 4.340 -0.013 0.000 0.259 336 Q C -1.669 174.349 176.000 0.030 0.000 0.941 336 Q CA -0.465 55.464 55.803 0.210 0.000 0.912 336 Q CB 1.511 30.493 28.738 0.406 0.000 1.244 336 Q HN 0.764 nan 8.270 nan 0.000 0.441 337 L N 4.319 125.594 121.223 0.088 0.000 2.268 337 L HA 0.325 4.657 4.340 -0.013 0.000 0.289 337 L C -0.250 176.664 176.870 0.074 0.000 1.064 337 L CA -0.171 54.707 54.840 0.063 0.000 0.824 337 L CB 0.512 42.647 42.059 0.127 0.000 1.202 337 L HN 0.602 nan 8.230 nan 0.000 0.433 338 N N 4.030 122.683 118.700 -0.078 0.000 2.466 338 N HA 0.125 4.858 4.740 -0.013 0.000 0.263 338 N C -0.079 175.449 175.510 0.029 0.000 1.178 338 N CA 0.531 53.578 53.050 -0.005 0.000 0.983 338 N CB -0.210 38.163 38.487 -0.191 0.000 1.331 338 N HN 0.567 nan 8.380 nan 0.000 0.500 339 D N -0.424 120.112 120.400 0.226 0.000 4.259 339 D HA -0.218 4.414 4.640 -0.013 0.000 0.290 339 D C 0.399 176.782 176.300 0.137 0.000 2.199 339 D CA 1.553 55.666 54.000 0.188 0.000 1.194 339 D CB -0.689 39.923 40.800 -0.313 0.000 1.003 339 D HN 0.453 nan 8.370 nan 0.000 1.204 340 T N -2.547 112.000 114.554 -0.013 0.000 3.107 340 T HA 0.139 4.482 4.350 -0.013 0.000 0.249 340 T C 1.657 176.409 174.700 0.087 0.000 1.096 340 T CA 1.444 63.517 62.100 -0.044 0.000 1.012 340 T CB -0.513 68.302 68.868 -0.088 0.000 0.977 340 T HN 0.513 nan 8.240 nan 0.000 0.527 341 H N 2.649 121.787 119.070 0.113 0.000 2.353 341 H HA -0.015 4.534 4.556 -0.013 0.000 0.298 341 H C -0.873 174.530 175.328 0.125 0.000 1.103 341 H CA 1.100 57.234 56.048 0.144 0.000 1.293 341 H CB -0.865 28.985 29.762 0.147 0.000 1.372 341 H HN 0.442 nan 8.280 nan 0.000 0.501 342 P HA 0.072 nan 4.420 nan 0.000 0.259 342 P C 0.833 178.169 177.300 0.059 0.000 1.530 342 P CA 0.352 63.523 63.100 0.119 0.000 1.022 342 P CB 0.331 32.088 31.700 0.096 0.000 1.514 343 S N -0.204 115.523 115.700 0.045 0.000 2.440 343 S HA -0.131 4.331 4.470 -0.013 0.000 0.238 343 S C 1.700 176.299 174.600 -0.001 0.000 1.010 343 S CA 0.821 59.009 58.200 -0.021 0.000 0.972 343 S CB -1.470 61.692 63.200 -0.064 0.000 0.774 343 S HN 0.154 nan 8.310 nan 0.000 0.501 344 L N 0.889 122.131 121.223 0.032 0.000 2.549 344 L HA 0.067 4.400 4.340 -0.013 0.000 0.229 344 L C 2.902 179.815 176.870 0.073 0.000 1.158 344 L CA 0.589 55.460 54.840 0.051 0.000 0.842 344 L CB -0.695 41.403 42.059 0.065 0.000 0.952 344 L HN 0.483 nan 8.230 nan 0.000 0.452 345 A N 0.448 123.285 122.820 0.027 0.000 1.972 345 A HA -0.182 4.131 4.320 -0.013 0.000 0.219 345 A C 2.160 179.738 177.584 -0.009 0.000 1.169 345 A CA 1.404 53.439 52.037 -0.004 0.000 0.635 345 A CB -0.408 18.578 19.000 -0.023 0.000 0.810 345 A HN 0.356 nan 8.150 nan 0.000 0.446 346 I N 0.322 120.888 120.570 -0.006 0.000 2.110 346 I HA -0.135 4.027 4.170 -0.013 0.000 0.236 346 I C -0.356 175.770 176.117 0.014 0.000 1.068 346 I CA 1.547 62.840 61.300 -0.013 0.000 1.333 346 I CB -0.866 37.131 38.000 -0.006 0.000 1.054 346 I HN 0.230 nan 8.210 nan 0.000 0.402 347 P HA -0.181 nan 4.420 nan 0.000 0.221 347 P C 1.265 178.537 177.300 -0.048 0.000 1.150 347 P CA 1.520 64.633 63.100 0.021 0.000 0.800 347 P CB 0.017 31.752 31.700 0.058 0.000 0.787 348 E N 0.106 120.351 120.200 0.075 0.000 2.107 348 E HA -0.135 4.207 4.350 -0.013 0.000 0.191 348 E C 1.895 178.454 176.600 -0.068 0.000 0.982 348 E CA 0.547 57.002 56.400 0.092 0.000 0.809 348 E CB -1.120 28.730 29.700 0.249 0.000 0.756 348 E HN -0.021 nan 8.360 nan 0.000 0.459 349 L N 0.057 121.221 121.223 -0.098 0.000 2.093 349 L HA -0.045 4.288 4.340 -0.013 0.000 0.208 349 L C 1.954 178.671 176.870 -0.255 0.000 1.085 349 L CA 1.667 56.397 54.840 -0.183 0.000 0.755 349 L CB -0.515 41.446 42.059 -0.164 0.000 0.904 349 L HN 0.255 nan 8.230 nan 0.000 0.435 350 M N -0.906 118.556 119.600 -0.230 0.000 2.132 350 M HA -0.156 4.316 4.480 -0.013 0.000 0.263 350 M C 2.392 178.502 176.300 -0.316 0.000 1.065 350 M CA 1.372 56.481 55.300 -0.318 0.000 1.122 350 M CB -1.084 31.317 32.600 -0.332 0.000 1.365 350 M HN 0.314 nan 8.290 nan 0.000 0.411 351 R N 0.083 120.418 120.500 -0.275 0.000 2.083 351 R HA -0.132 4.200 4.340 -0.013 0.000 0.237 351 R C 2.061 178.238 176.300 -0.204 0.000 1.137 351 R CA 1.665 57.608 56.100 -0.261 0.000 0.951 351 R CB -0.205 29.882 30.300 -0.356 0.000 0.851 351 R HN 0.183 nan 8.270 nan 0.000 0.434 352 V N 1.464 121.257 119.914 -0.202 0.000 2.295 352 V HA -0.259 3.854 4.120 -0.013 0.000 0.246 352 V C 2.440 178.364 176.094 -0.283 0.000 1.049 352 V CA 1.785 63.964 62.300 -0.201 0.000 1.024 352 V CB -0.420 31.281 31.823 -0.204 0.000 0.648 352 V HN 0.350 nan 8.190 nan 0.000 0.447 353 L N -0.699 120.291 121.223 -0.388 0.000 2.046 353 L HA -0.153 4.179 4.340 -0.013 0.000 0.208 353 L C 2.411 179.090 176.870 -0.320 0.000 1.077 353 L CA 1.244 55.794 54.840 -0.482 0.000 0.747 353 L CB -0.616 41.118 42.059 -0.541 0.000 0.896 353 L HN 0.206 nan 8.230 nan 0.000 0.432 354 V N -0.510 119.250 119.914 -0.256 0.000 2.300 354 V HA -0.195 3.917 4.120 -0.013 0.000 0.241 354 V C 2.064 178.103 176.094 -0.092 0.000 1.034 354 V CA 1.708 63.916 62.300 -0.153 0.000 1.021 354 V CB -0.321 31.423 31.823 -0.132 0.000 0.662 354 V HN 0.353 nan 8.190 nan 0.000 0.458 355 D N 0.118 120.460 120.400 -0.097 0.000 2.097 355 D HA -0.077 4.555 4.640 -0.013 0.000 0.197 355 D C 2.094 178.360 176.300 -0.056 0.000 0.984 355 D CA 1.382 55.346 54.000 -0.061 0.000 0.826 355 D CB -0.133 40.627 40.800 -0.066 0.000 0.973 355 D HN 0.308 nan 8.370 nan 0.000 0.460 356 L N 0.418 121.593 121.223 -0.081 0.000 2.130 356 L HA 0.045 4.377 4.340 -0.013 0.000 0.200 356 L C 2.034 178.866 176.870 -0.063 0.000 1.075 356 L CA 0.689 55.492 54.840 -0.062 0.000 0.768 356 L CB -0.282 41.740 42.059 -0.061 0.000 0.933 356 L HN -0.126 nan 8.230 nan 0.000 0.451 357 E N 0.687 120.814 120.200 -0.122 0.000 2.435 357 E HA -0.015 4.328 4.350 -0.013 0.000 0.195 357 E C 0.092 176.652 176.600 -0.067 0.000 1.029 357 E CA 0.013 56.350 56.400 -0.105 0.000 0.865 357 E CB 0.148 29.681 29.700 -0.279 0.000 0.833 357 E HN 0.283 nan 8.360 nan 0.000 0.510 358 R N -0.004 120.451 120.500 -0.075 0.000 3.423 358 R HA -0.185 4.147 4.340 -0.013 0.000 0.271 358 R C -0.532 175.751 176.300 -0.028 0.000 1.093 358 R CA 0.229 56.309 56.100 -0.034 0.000 0.730 358 R CB -2.498 27.802 30.300 -0.001 0.000 1.190 358 R HN 0.046 nan 8.270 nan 0.000 0.437 359 L N 1.632 122.810 121.223 -0.074 0.000 2.399 359 L HA 0.226 4.558 4.340 -0.013 0.000 0.265 359 L C 1.226 178.086 176.870 -0.016 0.000 1.089 359 L CA -0.005 54.804 54.840 -0.053 0.000 0.802 359 L CB 0.581 42.564 42.059 -0.128 0.000 1.180 359 L HN 0.144 nan 8.230 nan 0.000 0.454 360 D N 0.269 120.685 120.400 0.027 0.000 2.339 360 D HA -0.118 4.515 4.640 -0.013 0.000 0.245 360 D C 0.949 177.311 176.300 0.104 0.000 1.115 360 D CA -0.524 53.526 54.000 0.083 0.000 0.917 360 D CB 0.758 41.614 40.800 0.094 0.000 1.192 360 D HN 0.591 nan 8.370 nan 0.000 0.428 361 W N 2.102 123.405 121.300 0.005 0.000 2.301 361 W HA -0.256 4.397 4.660 -0.012 0.000 0.325 361 W C 1.199 177.762 176.519 0.073 0.000 1.250 361 W CA 2.034 59.388 57.345 0.016 0.000 1.261 361 W CB -0.297 29.153 29.460 -0.018 0.000 1.157 361 W HN 0.506 nan 8.180 nan 0.000 0.473 362 D N 0.003 120.602 120.400 0.332 0.000 2.149 362 D HA -0.200 4.432 4.640 -0.013 0.000 0.198 362 D C 2.054 178.455 176.300 0.168 0.000 0.990 362 D CA 1.341 55.508 54.000 0.277 0.000 0.839 362 D CB -0.400 40.540 40.800 0.233 0.000 0.948 362 D HN 0.110 nan 8.370 nan 0.000 0.460 363 K N 1.001 121.459 120.400 0.096 0.000 2.097 363 K HA -0.005 4.307 4.320 -0.013 0.000 0.205 363 K C 1.972 178.566 176.600 -0.009 0.000 1.050 363 K CA 0.790 57.109 56.287 0.052 0.000 0.938 363 K CB -0.184 32.343 32.500 0.044 0.000 0.718 363 K HN 0.016 nan 8.250 nan 0.000 0.442 364 A N 0.696 123.468 122.820 -0.080 0.000 1.902 364 A HA -0.181 4.132 4.320 -0.013 0.000 0.217 364 A C 2.109 179.602 177.584 -0.152 0.000 1.181 364 A CA 1.185 53.105 52.037 -0.197 0.000 0.623 364 A CB -0.986 17.819 19.000 -0.325 0.000 0.818 364 A HN 0.634 nan 8.150 nan 0.000 0.443 365 W N 0.668 121.771 121.300 -0.329 0.000 2.381 365 W HA -0.146 4.507 4.660 -0.012 0.000 0.301 365 W C 1.964 178.431 176.519 -0.087 0.000 1.205 365 W CA 1.709 58.915 57.345 -0.232 0.000 1.285 365 W CB -0.072 29.306 29.460 -0.136 0.000 1.133 365 W HN 0.598 nan 8.180 nan 0.000 0.521 366 E N 0.147 120.351 120.200 0.008 0.000 2.085 366 E HA -0.223 4.120 4.350 -0.013 0.000 0.194 366 E C 2.033 178.559 176.600 -0.123 0.000 0.994 366 E CA 1.866 58.231 56.400 -0.058 0.000 0.801 366 E CB -0.273 29.447 29.700 0.033 0.000 0.743 366 E HN 0.067 nan 8.360 nan 0.000 0.453 367 V N 0.656 120.512 119.914 -0.097 0.000 2.295 367 V HA -0.250 3.862 4.120 -0.013 0.000 0.246 367 V C 2.427 178.455 176.094 -0.109 0.000 1.049 367 V CA 2.177 64.437 62.300 -0.066 0.000 1.024 367 V CB -0.797 30.985 31.823 -0.068 0.000 0.648 367 V HN 0.366 nan 8.190 nan 0.000 0.447 368 T N 0.076 114.496 114.554 -0.223 0.000 2.684 368 T HA -0.194 4.149 4.350 -0.013 0.000 0.267 368 T C 1.938 176.449 174.700 -0.315 0.000 1.036 368 T CA 1.830 63.770 62.100 -0.268 0.000 1.148 368 T CB -0.297 68.353 68.868 -0.363 0.000 0.863 368 T HN 0.267 nan 8.240 nan 0.000 0.436 369 V N 1.105 120.710 119.914 -0.515 0.000 2.343 369 V HA -0.144 3.969 4.120 -0.013 0.000 0.247 369 V C 2.373 178.401 176.094 -0.110 0.000 1.051 369 V CA 1.595 63.646 62.300 -0.415 0.000 1.036 369 V CB -0.445 31.056 31.823 -0.536 0.000 0.654 369 V HN 0.424 nan 8.190 nan 0.000 0.451 370 K N -0.294 120.030 120.400 -0.127 0.000 2.365 370 K HA -0.106 4.207 4.320 -0.013 0.000 0.199 370 K C 2.103 178.651 176.600 -0.088 0.000 1.045 370 K CA 1.516 57.721 56.287 -0.138 0.000 0.962 370 K CB -0.106 32.316 32.500 -0.129 0.000 0.759 370 K HN 0.656 nan 8.250 nan 0.000 0.469 371 T N -2.247 112.321 114.554 0.024 0.000 2.990 371 T HA 0.103 4.446 4.350 -0.013 0.000 0.250 371 T C 0.599 175.395 174.700 0.160 0.000 1.041 371 T CA -0.351 61.792 62.100 0.071 0.000 1.010 371 T CB 0.013 68.915 68.868 0.058 0.000 1.003 371 T HN -0.003 nan 8.240 nan 0.000 0.499 372 C N 2.647 122.034 119.300 0.144 0.000 2.365 372 C HA 0.916 5.369 4.460 -0.013 0.000 0.351 372 C C 0.546 175.591 174.990 0.091 0.000 1.240 372 C CA -0.788 58.292 59.018 0.104 0.000 2.062 372 C CB 0.159 27.898 27.740 -0.003 0.000 2.387 372 C HN 0.744 nan 8.230 nan 0.000 0.537 373 A N 2.320 125.188 122.820 0.079 0.000 2.455 373 A HA 0.708 5.020 4.320 -0.013 0.000 0.300 373 A C -1.535 176.124 177.584 0.124 0.000 1.040 373 A CA -0.359 51.679 52.037 0.001 0.000 0.697 373 A CB 0.983 20.012 19.000 0.050 0.000 1.265 373 A HN 0.873 nan 8.150 nan 0.000 0.407 374 Y N 1.307 121.555 120.300 -0.086 0.000 2.393 374 Y HA 0.705 5.248 4.550 -0.012 0.000 0.341 374 Y C -0.465 175.417 175.900 -0.029 0.000 0.988 374 Y CA -0.665 57.399 58.100 -0.061 0.000 1.078 374 Y CB 2.007 40.388 38.460 -0.132 0.000 1.203 374 Y HN 0.534 nan 8.280 nan 0.000 0.453 375 T N 7.110 121.517 114.554 -0.245 0.000 2.770 375 T HA 0.232 4.575 4.350 -0.013 0.000 0.283 375 T C -0.743 173.551 174.700 -0.678 0.000 0.988 375 T CA -0.823 61.047 62.100 -0.383 0.000 0.957 375 T CB 0.274 69.144 68.868 0.004 0.000 0.930 375 T HN 0.676 nan 8.240 nan 0.000 0.443 376 N N 1.794 120.050 118.700 -0.740 0.000 2.498 376 N HA 0.146 4.879 4.740 -0.013 0.000 0.287 376 N C 0.042 175.416 175.510 -0.228 0.000 1.097 376 N CA -0.289 52.548 53.050 -0.354 0.000 0.973 376 N CB 0.784 39.212 38.487 -0.098 0.000 1.153 376 N HN 0.683 nan 8.380 nan 0.000 0.472 377 H N 0.784 119.885 119.070 0.053 0.000 3.058 377 H HA 0.164 4.712 4.556 -0.013 0.000 0.266 377 H C -0.204 175.032 175.328 -0.154 0.000 1.135 377 H CA -0.057 55.962 56.048 -0.048 0.000 1.174 377 H CB 1.175 30.919 29.762 -0.029 0.000 1.581 377 H HN 0.536 nan 8.280 nan 0.000 0.553 378 T N 0.212 114.782 114.554 0.026 0.000 2.830 378 T HA 0.254 4.597 4.350 -0.013 0.000 0.322 378 T C 0.276 174.990 174.700 0.024 0.000 1.501 378 T CA -0.322 61.743 62.100 -0.059 0.000 1.036 378 T CB 1.366 70.203 68.868 -0.052 0.000 1.379 378 T HN -0.047 nan 8.240 nan 0.000 0.493 379 V N 1.344 121.234 119.914 -0.041 0.000 3.477 379 V HA 0.505 4.617 4.120 -0.013 0.000 0.297 379 V C 0.851 176.906 176.094 -0.065 0.000 1.433 379 V CA -0.070 62.203 62.300 -0.044 0.000 1.052 379 V CB -0.651 31.152 31.823 -0.035 0.000 0.895 379 V HN 0.797 nan 8.190 nan 0.000 0.438 380 I N -0.238 120.283 120.570 -0.081 0.000 2.496 380 I HA 0.342 4.504 4.170 -0.013 0.000 0.285 380 I C -0.742 175.367 176.117 -0.014 0.000 1.080 380 I CA -1.755 59.520 61.300 -0.042 0.000 1.404 380 I CB 0.696 38.666 38.000 -0.049 0.000 1.403 380 I HN -0.054 nan 8.210 nan 0.000 0.539 381 P HA -0.243 nan 4.420 nan 0.000 0.216 381 P C 1.091 178.384 177.300 -0.013 0.000 1.150 381 P CA 1.577 64.672 63.100 -0.009 0.000 0.843 381 P CB -0.088 31.613 31.700 0.000 0.000 0.787 382 E N 0.203 120.418 120.200 0.025 0.000 2.478 382 E HA -0.038 4.305 4.350 -0.013 0.000 0.198 382 E C 1.540 178.093 176.600 -0.079 0.000 1.046 382 E CA 1.010 57.404 56.400 -0.010 0.000 0.870 382 E CB -0.608 29.184 29.700 0.154 0.000 0.818 382 E HN 0.215 nan 8.360 nan 0.000 0.527 383 A N 0.976 123.794 122.820 -0.003 0.000 2.220 383 A HA 0.212 4.525 4.320 -0.013 0.000 0.211 383 A C 1.090 178.654 177.584 -0.033 0.000 1.176 383 A CA -0.334 51.718 52.037 0.025 0.000 0.834 383 A CB 0.175 19.213 19.000 0.063 0.000 0.868 383 A HN 0.142 nan 8.150 nan 0.000 0.488 384 L N 1.837 123.001 121.223 -0.099 0.000 2.410 384 L HA 0.153 4.486 4.340 -0.013 0.000 0.273 384 L C -0.080 176.468 176.870 -0.537 0.000 1.152 384 L CA 0.454 55.177 54.840 -0.195 0.000 0.855 384 L CB 0.411 42.392 42.059 -0.130 0.000 1.129 384 L HN 0.401 nan 8.230 nan 0.000 0.463 385 E N 4.927 124.699 120.200 -0.713 0.000 2.180 385 E HA 0.208 4.551 4.350 -0.013 0.000 0.283 385 E C -0.511 175.477 176.600 -1.022 0.000 1.061 385 E CA -0.201 55.313 56.400 -1.477 0.000 0.861 385 E CB 0.714 29.863 29.700 -0.918 0.000 1.056 385 E HN 0.369 nan 8.360 nan 0.000 0.407 386 R N 3.796 123.620 120.500 -1.128 0.000 2.472 386 R HA 0.201 4.533 4.340 -0.013 0.000 0.294 386 R C -1.259 174.909 176.300 -0.219 0.000 1.243 386 R CA -0.566 55.282 56.100 -0.420 0.000 1.023 386 R CB 0.885 31.060 30.300 -0.209 0.000 1.157 386 R HN 0.443 nan 8.270 nan 0.000 0.530 387 W N 4.610 125.884 121.300 -0.043 0.000 2.311 387 W HA 0.268 4.920 4.660 -0.013 0.000 0.310 387 W C -1.895 174.608 176.519 -0.027 0.000 1.274 387 W CA -2.120 55.250 57.345 0.041 0.000 1.215 387 W CB 0.761 30.215 29.460 -0.009 0.000 1.227 387 W HN 0.255 nan 8.180 nan 0.000 0.523 388 P HA -0.085 nan 4.420 nan 0.000 0.265 388 P C 0.751 178.003 177.300 -0.079 0.000 1.193 388 P CA 0.163 63.270 63.100 0.011 0.000 0.765 388 P CB 0.822 32.411 31.700 -0.185 0.000 0.823 389 V N 3.119 123.038 119.914 0.009 0.000 2.407 389 V HA -0.277 3.835 4.120 -0.013 0.000 0.248 389 V C 2.145 178.240 176.094 0.001 0.000 1.055 389 V CA 2.477 64.788 62.300 0.020 0.000 1.049 389 V CB -1.774 30.122 31.823 0.121 0.000 0.662 389 V HN 0.763 nan 8.190 nan 0.000 0.455 390 H N -1.031 118.090 119.070 0.085 0.000 2.457 390 H HA -0.127 4.422 4.556 -0.012 0.000 0.297 390 H C 2.039 177.407 175.328 0.065 0.000 1.092 390 H CA 1.747 57.840 56.048 0.075 0.000 1.309 390 H CB -0.515 29.293 29.762 0.077 0.000 1.382 390 H HN 0.370 nan 8.280 nan 0.000 0.535 391 L N -0.113 120.910 121.223 -0.334 0.000 2.044 391 L HA -0.055 4.277 4.340 -0.013 0.000 0.205 391 L C 2.393 179.187 176.870 -0.127 0.000 1.075 391 L CA 0.861 55.602 54.840 -0.165 0.000 0.747 391 L CB -0.203 41.744 42.059 -0.186 0.000 0.903 391 L HN 0.317 nan 8.230 nan 0.000 0.435 392 L N -0.489 120.638 121.223 -0.161 0.000 2.131 392 L HA -0.242 4.090 4.340 -0.013 0.000 0.210 392 L C 2.515 179.302 176.870 -0.137 0.000 1.092 392 L CA 1.131 55.853 54.840 -0.197 0.000 0.759 392 L CB -0.374 41.563 42.059 -0.203 0.000 0.903 392 L HN 0.347 nan 8.230 nan 0.000 0.435 393 E N -0.492 119.671 120.200 -0.062 0.000 2.058 393 E HA -0.225 4.117 4.350 -0.013 0.000 0.194 393 E C 1.924 178.546 176.600 0.036 0.000 0.997 393 E CA 1.920 58.320 56.400 -0.000 0.000 0.801 393 E CB 0.130 29.872 29.700 0.069 0.000 0.746 393 E HN 0.399 nan 8.360 nan 0.000 0.450 394 T N 0.732 115.328 114.554 0.069 0.000 2.809 394 T HA -0.075 4.267 4.350 -0.013 0.000 0.260 394 T C 1.703 176.495 174.700 0.154 0.000 1.039 394 T CA 0.724 62.914 62.100 0.149 0.000 1.141 394 T CB -0.102 68.885 68.868 0.199 0.000 0.869 394 T HN 0.064 nan 8.240 nan 0.000 0.437 395 L N 0.049 121.261 121.223 -0.018 0.000 2.162 395 L HA 0.349 4.682 4.340 -0.013 0.000 0.205 395 L C 0.275 177.045 176.870 -0.167 0.000 1.086 395 L CA 1.554 56.257 54.840 -0.229 0.000 0.778 395 L CB 0.063 41.952 42.059 -0.284 0.000 0.928 395 L HN 0.167 nan 8.230 nan 0.000 0.446 396 L N 0.563 121.655 121.223 -0.219 0.000 2.502 396 L HA 0.295 4.628 4.340 -0.013 0.000 0.249 396 L C -1.687 174.984 176.870 -0.331 0.000 1.446 396 L CA -1.031 53.587 54.840 -0.371 0.000 0.887 396 L CB 0.947 42.592 42.059 -0.690 0.000 1.126 396 L HN -0.090 nan 8.230 nan 0.000 0.509 397 P HA -0.231 nan 4.420 nan 0.000 0.215 397 P C 1.500 178.614 177.300 -0.311 0.000 1.157 397 P CA 1.356 64.333 63.100 -0.206 0.000 0.874 397 P CB 0.353 32.007 31.700 -0.077 0.000 0.790 398 R N -0.656 119.494 120.500 -0.584 0.000 2.092 398 R HA -0.139 4.193 4.340 -0.013 0.000 0.231 398 R C 2.351 178.378 176.300 -0.454 0.000 1.119 398 R CA 1.450 57.226 56.100 -0.540 0.000 0.970 398 R CB -1.237 28.593 30.300 -0.783 0.000 0.864 398 R HN 0.218 nan 8.270 nan 0.000 0.440 399 H N -0.256 118.496 119.070 -0.531 0.000 2.387 399 H HA -0.054 4.495 4.556 -0.013 0.000 0.299 399 H C 1.742 176.893 175.328 -0.296 0.000 1.090 399 H CA 1.609 57.429 56.048 -0.379 0.000 1.332 399 H CB -0.041 29.459 29.762 -0.437 0.000 1.386 399 H HN 0.108 nan 8.280 nan 0.000 0.516 400 L N 0.422 121.518 121.223 -0.212 0.000 2.056 400 L HA -0.224 4.109 4.340 -0.013 0.000 0.207 400 L C 1.750 178.425 176.870 -0.326 0.000 1.078 400 L CA 1.577 56.223 54.840 -0.322 0.000 0.749 400 L CB -0.271 41.608 42.059 -0.299 0.000 0.901 400 L HN 0.430 nan 8.230 nan 0.000 0.433 401 Q N -0.397 119.318 119.800 -0.142 0.000 2.124 401 Q HA -0.205 4.128 4.340 -0.013 0.000 0.202 401 Q C 2.167 178.183 176.000 0.027 0.000 0.977 401 Q CA 1.432 57.241 55.803 0.009 0.000 0.850 401 Q CB 0.022 28.774 28.738 0.024 0.000 0.901 401 Q HN 0.552 nan 8.270 nan 0.000 0.429 402 I N 0.230 120.795 120.570 -0.009 0.000 2.286 402 I HA -0.248 3.915 4.170 -0.013 0.000 0.245 402 I C 2.069 178.257 176.117 0.118 0.000 1.104 402 I CA 0.922 62.299 61.300 0.128 0.000 1.397 402 I CB -0.061 37.954 38.000 0.026 0.000 1.072 402 I HN 0.195 nan 8.210 nan 0.000 0.417 403 I N -0.418 120.144 120.570 -0.014 0.000 2.226 403 I HA -0.319 3.844 4.170 -0.013 0.000 0.245 403 I C 2.365 178.503 176.117 0.034 0.000 1.100 403 I CA 1.426 62.709 61.300 -0.027 0.000 1.374 403 I CB -0.356 37.558 38.000 -0.142 0.000 1.057 403 I HN 0.174 nan 8.210 nan 0.000 0.413 404 Y N 0.853 121.154 120.300 0.002 0.000 2.224 404 Y HA -0.254 4.288 4.550 -0.013 0.000 0.289 404 Y C 2.582 178.444 175.900 -0.063 0.000 1.146 404 Y CA 1.523 59.612 58.100 -0.019 0.000 1.182 404 Y CB -0.705 37.737 38.460 -0.029 0.000 0.983 404 Y HN 0.239 nan 8.280 nan 0.000 0.524 405 E N 0.297 120.532 120.200 0.058 0.000 2.152 405 E HA -0.116 4.227 4.350 -0.013 0.000 0.192 405 E C 1.966 178.463 176.600 -0.171 0.000 0.983 405 E CA 1.112 57.404 56.400 -0.180 0.000 0.818 405 E CB -0.527 28.904 29.700 -0.448 0.000 0.758 405 E HN 0.476 nan 8.360 nan 0.000 0.467 406 I N 0.613 121.181 120.570 -0.004 0.000 2.202 406 I HA -0.229 3.933 4.170 -0.013 0.000 0.242 406 I C 2.261 178.370 176.117 -0.013 0.000 1.091 406 I CA 1.208 62.461 61.300 -0.078 0.000 1.368 406 I CB -0.357 37.610 38.000 -0.055 0.000 1.058 406 I HN 0.208 nan 8.210 nan 0.000 0.410 407 N N 0.786 119.533 118.700 0.079 0.000 2.069 407 N HA -0.265 4.468 4.740 -0.013 0.000 0.191 407 N C 1.866 177.460 175.510 0.140 0.000 1.031 407 N CA 1.637 54.790 53.050 0.172 0.000 0.852 407 N CB -0.124 38.484 38.487 0.201 0.000 1.018 407 N HN 0.263 nan 8.380 nan 0.000 0.423 408 Q N -0.211 119.614 119.800 0.042 0.000 2.045 408 Q HA -0.142 4.190 4.340 -0.013 0.000 0.206 408 Q C 2.071 178.050 176.000 -0.034 0.000 0.991 408 Q CA 1.719 57.509 55.803 -0.023 0.000 0.851 408 Q CB -0.002 28.677 28.738 -0.099 0.000 0.911 408 Q HN 0.421 nan 8.270 nan 0.000 0.418 409 R N -0.839 119.617 120.500 -0.073 0.000 2.092 409 R HA -0.123 4.210 4.340 -0.013 0.000 0.231 409 R C 2.163 178.491 176.300 0.047 0.000 1.119 409 R CA 1.142 57.200 56.100 -0.070 0.000 0.970 409 R CB -0.399 29.801 30.300 -0.167 0.000 0.864 409 R HN 0.263 nan 8.270 nan 0.000 0.440 410 F N 1.843 121.766 119.950 -0.044 0.000 2.084 410 F HA -0.086 4.434 4.527 -0.013 0.000 0.296 410 F C 1.967 177.794 175.800 0.045 0.000 1.111 410 F CA 1.255 59.280 58.000 0.041 0.000 1.224 410 F CB -0.326 38.730 39.000 0.095 0.000 0.991 410 F HN -0.140 nan 8.300 nan 0.000 0.471 411 L N 0.183 121.408 121.223 0.004 0.000 2.127 411 L HA -0.276 4.057 4.340 -0.013 0.000 0.211 411 L C 1.993 178.785 176.870 -0.129 0.000 1.089 411 L CA 1.778 56.549 54.840 -0.114 0.000 0.757 411 L CB -0.905 41.160 42.059 0.011 0.000 0.899 411 L HN 0.289 nan 8.230 nan 0.000 0.434 412 N N -0.483 118.167 118.700 -0.082 0.000 2.244 412 N HA -0.167 4.565 4.740 -0.013 0.000 0.183 412 N C 1.932 177.388 175.510 -0.090 0.000 1.016 412 N CA 0.566 53.572 53.050 -0.073 0.000 0.866 412 N CB 0.037 38.490 38.487 -0.058 0.000 0.980 412 N HN 0.238 nan 8.380 nan 0.000 0.430 413 R N 0.529 120.957 120.500 -0.120 0.000 2.075 413 R HA -0.033 4.300 4.340 -0.013 0.000 0.232 413 R C 2.100 178.302 176.300 -0.164 0.000 1.126 413 R CA 0.795 56.824 56.100 -0.118 0.000 0.963 413 R CB -0.153 30.090 30.300 -0.095 0.000 0.858 413 R HN 0.029 nan 8.270 nan 0.000 0.435 414 V N 0.699 120.462 119.914 -0.253 0.000 2.261 414 V HA -0.257 3.856 4.120 -0.013 0.000 0.246 414 V C 2.366 178.453 176.094 -0.011 0.000 1.047 414 V CA 2.017 64.237 62.300 -0.132 0.000 1.015 414 V CB -0.805 30.870 31.823 -0.246 0.000 0.642 414 V HN 0.470 nan 8.190 nan 0.000 0.446 415 A N 0.075 122.863 122.820 -0.053 0.000 1.917 415 A HA -0.193 4.119 4.320 -0.013 0.000 0.219 415 A C 2.366 179.924 177.584 -0.042 0.000 1.182 415 A CA 2.356 54.378 52.037 -0.024 0.000 0.633 415 A CB -0.801 18.175 19.000 -0.039 0.000 0.819 415 A HN 0.624 nan 8.150 nan 0.000 0.448 416 A N -0.846 121.929 122.820 -0.076 0.000 2.014 416 A HA 0.309 4.622 4.320 -0.013 0.000 0.218 416 A C 2.332 179.823 177.584 -0.155 0.000 1.163 416 A CA 1.734 53.715 52.037 -0.092 0.000 0.652 416 A CB -0.602 18.349 19.000 -0.081 0.000 0.808 416 A HN 0.961 nan 8.150 nan 0.000 0.449 417 A N -1.283 121.395 122.820 -0.237 0.000 1.943 417 A HA 0.402 4.715 4.320 -0.013 0.000 0.213 417 A C 0.441 177.591 177.584 -0.724 0.000 1.181 417 A CA 0.456 52.179 52.037 -0.524 0.000 0.653 417 A CB -0.099 18.477 19.000 -0.706 0.000 0.833 417 A HN 0.407 nan 8.150 nan 0.000 0.451 418 F N 0.454 120.356 119.950 -0.081 0.000 2.449 418 F HA 0.364 4.883 4.527 -0.013 0.000 0.344 418 F C -2.740 173.022 175.800 -0.064 0.000 1.180 418 F CA -2.932 55.026 58.000 -0.071 0.000 1.209 418 F CB 0.703 39.653 39.000 -0.085 0.000 1.440 418 F HN -0.053 nan 8.300 nan 0.000 0.526 419 P HA 0.162 nan 4.420 nan 0.000 0.262 419 P C 1.011 178.330 177.300 0.032 0.000 1.199 419 P CA 1.007 64.118 63.100 0.018 0.000 0.763 419 P CB 0.779 32.472 31.700 -0.012 0.000 0.790 420 G N 2.849 111.661 108.800 0.020 0.000 2.199 420 G HA2 -0.242 3.711 3.960 -0.013 0.000 0.254 420 G HA3 -0.242 3.711 3.960 -0.013 0.000 0.254 420 G C 0.349 175.257 174.900 0.014 0.000 0.982 420 G CA -0.055 45.053 45.100 0.013 0.000 0.632 420 G HN 0.578 nan 8.290 nan 0.000 0.529 421 D N 1.035 121.453 120.400 0.030 0.000 2.551 421 D HA 0.394 5.026 4.640 -0.013 0.000 0.223 421 D C 1.585 177.873 176.300 -0.020 0.000 1.144 421 D CA 0.383 54.384 54.000 0.002 0.000 1.025 421 D CB 0.582 41.379 40.800 -0.005 0.000 1.085 421 D HN 0.126 nan 8.370 nan 0.000 0.506 422 V N 2.730 122.634 119.914 -0.016 0.000 2.626 422 V HA -0.202 3.911 4.120 -0.013 0.000 0.252 422 V C 1.678 177.758 176.094 -0.024 0.000 1.067 422 V CA 1.827 64.117 62.300 -0.017 0.000 1.081 422 V CB 0.028 31.844 31.823 -0.011 0.000 0.686 422 V HN 0.375 nan 8.190 nan 0.000 0.468 423 D N -0.422 119.959 120.400 -0.032 0.000 2.194 423 D HA -0.168 4.464 4.640 -0.013 0.000 0.204 423 D C 2.313 178.582 176.300 -0.051 0.000 0.964 423 D CA 1.129 55.111 54.000 -0.031 0.000 0.846 423 D CB -0.182 40.599 40.800 -0.031 0.000 0.962 423 D HN 0.393 nan 8.370 nan 0.000 0.490 424 R N -0.329 120.115 120.500 -0.092 0.000 2.105 424 R HA -0.138 4.194 4.340 -0.013 0.000 0.239 424 R C 1.885 178.112 176.300 -0.121 0.000 1.135 424 R CA 0.903 56.910 56.100 -0.155 0.000 0.967 424 R CB -0.301 29.844 30.300 -0.257 0.000 0.861 424 R HN 0.158 nan 8.270 nan 0.000 0.442 425 L N 1.369 122.547 121.223 -0.076 0.000 2.012 425 L HA -0.192 4.140 4.340 -0.013 0.000 0.210 425 L C 2.563 179.435 176.870 0.004 0.000 1.073 425 L CA 2.190 57.004 54.840 -0.043 0.000 0.748 425 L CB -0.755 41.288 42.059 -0.025 0.000 0.891 425 L HN 0.312 nan 8.230 nan 0.000 0.431 426 R N -1.220 119.289 120.500 0.015 0.000 2.115 426 R HA -0.068 4.264 4.340 -0.013 0.000 0.226 426 R C 2.189 178.543 176.300 0.090 0.000 1.100 426 R CA 1.053 57.185 56.100 0.053 0.000 0.980 426 R CB -0.630 29.695 30.300 0.040 0.000 0.875 426 R HN 0.169 nan 8.270 nan 0.000 0.445 427 R N 0.153 120.687 120.500 0.057 0.000 2.092 427 R HA 0.099 4.432 4.340 -0.013 0.000 0.231 427 R C 2.009 178.405 176.300 0.160 0.000 1.119 427 R CA 1.759 57.917 56.100 0.097 0.000 0.970 427 R CB -0.149 30.163 30.300 0.020 0.000 0.864 427 R HN 0.327 nan 8.270 nan 0.000 0.440 428 M N -0.018 119.600 119.600 0.032 0.000 2.541 428 M HA 0.030 4.502 4.480 -0.013 0.000 0.252 428 M C 0.839 177.328 176.300 0.315 0.000 1.125 428 M CA 0.024 55.306 55.300 -0.030 0.000 1.091 428 M CB 0.448 32.868 32.600 -0.299 0.000 1.420 428 M HN -0.086 nan 8.290 nan 0.000 0.486 429 S N 0.975 116.859 115.700 0.308 0.000 2.558 429 S HA 0.023 4.485 4.470 -0.013 0.000 0.291 429 S C 1.132 176.016 174.600 0.474 0.000 1.306 429 S CA -0.142 58.265 58.200 0.345 0.000 1.056 429 S CB 0.519 63.855 63.200 0.226 0.000 0.836 429 S HN 0.355 nan 8.310 nan 0.000 0.504 430 L N 3.948 125.392 121.223 0.369 0.000 2.395 430 L HA 0.126 4.459 4.340 -0.013 0.000 0.218 430 L C 0.186 177.171 176.870 0.191 0.000 1.130 430 L CA 0.286 55.298 54.840 0.285 0.000 0.826 430 L CB -0.344 41.822 42.059 0.180 0.000 0.941 430 L HN 0.383 nan 8.230 nan 0.000 0.451 431 V N 0.670 120.711 119.914 0.212 0.000 2.370 431 V HA 0.200 4.313 4.120 -0.013 0.000 0.279 431 V C -0.000 176.185 176.094 0.152 0.000 1.029 431 V CA -0.608 61.802 62.300 0.184 0.000 0.870 431 V CB 1.603 33.572 31.823 0.243 0.000 0.984 431 V HN 0.161 nan 8.190 nan 0.000 0.451 432 E N 3.155 123.424 120.200 0.115 0.000 2.134 432 E HA 0.414 4.757 4.350 -0.013 0.000 0.278 432 E C -0.708 175.945 176.600 0.089 0.000 0.959 432 E CA -0.539 55.917 56.400 0.094 0.000 0.783 432 E CB 1.909 31.645 29.700 0.060 0.000 1.095 432 E HN 0.614 nan 8.360 nan 0.000 0.399 433 E N 1.022 121.270 120.200 0.080 0.000 2.314 433 E HA 0.641 4.984 4.350 -0.013 0.000 0.262 433 E C 0.173 176.809 176.600 0.060 0.000 1.093 433 E CA 0.329 56.770 56.400 0.069 0.000 0.908 433 E CB 1.493 31.227 29.700 0.057 0.000 1.091 433 E HN 0.642 nan 8.360 nan 0.000 0.425 434 G N -0.026 108.807 108.800 0.056 0.000 2.334 434 G HA2 0.240 4.193 3.960 -0.013 0.000 0.249 434 G HA3 0.240 4.193 3.960 -0.013 0.000 0.249 434 G C 0.518 175.448 174.900 0.051 0.000 1.327 434 G CA 0.309 45.438 45.100 0.048 0.000 0.979 434 G HN 0.637 nan 8.290 nan 0.000 0.471 435 A N -0.850 121.998 122.820 0.047 0.000 1.873 435 A HA 0.233 4.546 4.320 -0.013 0.000 0.219 435 A C 1.810 179.430 177.584 0.061 0.000 1.269 435 A CA 4.574 56.639 52.037 0.047 0.000 0.671 435 A CB -1.272 17.756 19.000 0.045 0.000 0.842 435 A HN 2.424 nan 8.150 nan 0.000 0.460 436 V N -2.899 117.065 119.914 0.082 0.000 2.735 436 V HA 0.578 4.691 4.120 -0.013 0.000 0.310 436 V C -0.578 175.588 176.094 0.120 0.000 1.061 436 V CA -1.366 61.005 62.300 0.118 0.000 0.913 436 V CB 1.732 33.657 31.823 0.170 0.000 1.005 436 V HN 0.419 nan 8.190 nan 0.000 0.428 437 K N 4.018 124.499 120.400 0.135 0.000 2.355 437 K HA 0.505 4.817 4.320 -0.013 0.000 0.270 437 K C -0.416 176.260 176.600 0.126 0.000 1.003 437 K CA -0.259 56.105 56.287 0.128 0.000 0.957 437 K CB 0.928 33.516 32.500 0.148 0.000 0.939 437 K HN 0.730 nan 8.250 nan 0.000 0.482 438 R N 1.023 121.586 120.500 0.105 0.000 2.836 438 R HA 0.504 4.836 4.340 -0.013 0.000 0.269 438 R C -0.737 175.608 176.300 0.075 0.000 1.010 438 R CA -0.987 55.166 56.100 0.087 0.000 0.930 438 R CB 1.351 31.686 30.300 0.058 0.000 1.218 438 R HN 0.392 nan 8.270 nan 0.000 0.473 439 I N 1.795 122.403 120.570 0.065 0.000 2.406 439 I HA 0.184 4.347 4.170 -0.013 0.000 0.290 439 I C -0.414 175.692 176.117 -0.017 0.000 0.999 439 I CA -0.761 60.563 61.300 0.040 0.000 1.124 439 I CB 1.448 39.468 38.000 0.034 0.000 1.289 439 I HN 0.498 nan 8.210 nan 0.000 0.441 440 N N 6.980 125.637 118.700 -0.070 0.000 2.415 440 N HA 0.085 4.818 4.740 -0.013 0.000 0.250 440 N C 0.900 176.309 175.510 -0.168 0.000 1.127 440 N CA -0.348 52.580 53.050 -0.204 0.000 0.945 440 N CB 0.894 39.113 38.487 -0.448 0.000 1.196 440 N HN 0.379 nan 8.380 nan 0.000 0.499 441 M N 2.336 121.843 119.600 -0.155 0.000 2.202 441 M HA -0.113 4.360 4.480 -0.013 0.000 0.262 441 M C 1.975 178.130 176.300 -0.240 0.000 1.063 441 M CA 0.904 56.123 55.300 -0.135 0.000 1.097 441 M CB -1.629 30.925 32.600 -0.077 0.000 1.382 441 M HN 0.601 nan 8.290 nan 0.000 0.413 442 A N -0.744 121.930 122.820 -0.243 0.000 1.902 442 A HA -0.180 4.132 4.320 -0.013 0.000 0.217 442 A C 2.017 179.386 177.584 -0.359 0.000 1.181 442 A CA 1.556 53.418 52.037 -0.291 0.000 0.623 442 A CB -1.146 17.873 19.000 0.031 0.000 0.818 442 A HN 0.622 nan 8.150 nan 0.000 0.443 443 H N -1.130 117.727 119.070 -0.356 0.000 2.389 443 H HA -0.011 4.537 4.556 -0.013 0.000 0.299 443 H C 2.100 177.198 175.328 -0.383 0.000 1.081 443 H CA 0.875 56.660 56.048 -0.438 0.000 1.345 443 H CB -0.027 29.690 29.762 -0.074 0.000 1.393 443 H HN 0.372 nan 8.280 nan 0.000 0.520 444 L N 0.310 121.444 121.223 -0.147 0.000 2.017 444 L HA -0.217 4.115 4.340 -0.013 0.000 0.208 444 L C 2.198 178.937 176.870 -0.220 0.000 1.073 444 L CA 1.254 56.010 54.840 -0.140 0.000 0.745 444 L CB -0.358 41.643 42.059 -0.095 0.000 0.894 444 L HN 0.445 nan 8.230 nan 0.000 0.432 445 C N -0.074 118.995 119.300 -0.385 0.000 2.440 445 C HA -0.150 4.303 4.460 -0.013 0.000 0.278 445 C C 2.664 177.430 174.990 -0.373 0.000 1.295 445 C CA 0.437 59.163 59.018 -0.487 0.000 1.738 445 C CB -0.710 26.369 27.740 -1.102 0.000 1.987 445 C HN 0.499 nan 8.230 nan 0.000 0.492 446 I N 1.450 121.759 120.570 -0.435 0.000 2.179 446 I HA -0.207 3.955 4.170 -0.013 0.000 0.242 446 I C 2.772 178.748 176.117 -0.235 0.000 1.088 446 I CA 1.694 62.774 61.300 -0.366 0.000 1.357 446 I CB -0.567 37.069 38.000 -0.606 0.000 1.051 446 I HN 0.263 nan 8.210 nan 0.000 0.409 447 A N 0.508 123.162 122.820 -0.276 0.000 1.933 447 A HA -0.120 4.192 4.320 -0.013 0.000 0.218 447 A C 2.203 179.822 177.584 0.058 0.000 1.175 447 A CA 1.934 53.856 52.037 -0.192 0.000 0.628 447 A CB -1.186 17.519 19.000 -0.491 0.000 0.814 447 A HN 0.491 nan 8.150 nan 0.000 0.444 448 G N -1.196 107.583 108.800 -0.034 0.000 3.284 448 G HA2 0.419 4.372 3.960 -0.013 0.000 0.236 448 G HA3 0.419 4.372 3.960 -0.013 0.000 0.236 448 G C 0.110 174.849 174.900 -0.269 0.000 1.158 448 G CA 0.521 45.478 45.100 -0.239 0.000 0.774 448 G HN 0.361 nan 8.290 nan 0.000 0.545 449 S N -0.427 115.175 115.700 -0.164 0.000 2.566 449 S HA 0.342 4.804 4.470 -0.013 0.000 0.298 449 S C 0.568 175.125 174.600 -0.071 0.000 1.083 449 S CA -0.722 57.410 58.200 -0.113 0.000 0.978 449 S CB 1.268 64.406 63.200 -0.103 0.000 1.073 449 S HN 0.495 nan 8.310 nan 0.000 0.491 450 H N -0.409 118.626 119.070 -0.058 0.000 2.539 450 H HA 0.580 5.128 4.556 -0.013 0.000 0.269 450 H C -0.036 175.283 175.328 -0.015 0.000 0.980 450 H CA 0.084 56.125 56.048 -0.012 0.000 1.152 450 H CB 0.105 29.872 29.762 0.009 0.000 1.407 450 H HN 0.531 nan 8.280 nan 0.000 0.564 451 A N 0.806 123.357 122.820 -0.448 0.000 2.540 451 A HA 0.535 4.848 4.320 -0.013 0.000 0.297 451 A C -1.560 175.823 177.584 -0.334 0.000 1.056 451 A CA -0.549 51.257 52.037 -0.385 0.000 0.700 451 A CB 1.926 20.654 19.000 -0.454 0.000 1.280 451 A HN 0.092 nan 8.150 nan 0.000 0.398 452 V N 4.032 123.709 119.914 -0.394 0.000 2.588 452 V HA 0.614 4.726 4.120 -0.013 0.000 0.304 452 V C -0.662 175.241 176.094 -0.318 0.000 1.042 452 V CA -0.708 61.347 62.300 -0.410 0.000 0.877 452 V CB 1.916 33.339 31.823 -0.668 0.000 0.996 452 V HN 1.036 nan 8.190 nan 0.000 0.425 453 N N 2.809 121.340 118.700 -0.282 0.000 2.284 453 N HA 0.600 5.333 4.740 -0.013 0.000 0.289 453 N C -0.355 175.052 175.510 -0.172 0.000 1.179 453 N CA -0.391 52.540 53.050 -0.197 0.000 0.774 453 N CB 2.872 41.226 38.487 -0.222 0.000 1.548 453 N HN 0.664 nan 8.380 nan 0.000 0.473 454 G N -0.760 107.972 108.800 -0.112 0.000 2.511 454 G HA2 0.423 4.376 3.960 -0.013 0.000 0.316 454 G HA3 0.423 4.376 3.960 -0.013 0.000 0.316 454 G C 0.800 175.760 174.900 0.099 0.000 1.210 454 G CA -0.528 44.553 45.100 -0.032 0.000 0.969 454 G HN 0.618 nan 8.290 nan 0.000 0.492 455 V N -3.456 116.639 119.914 0.301 0.000 3.483 455 V HA 0.683 4.795 4.120 -0.013 0.000 0.301 455 V C 0.604 176.783 176.094 0.142 0.000 1.389 455 V CA 0.361 62.749 62.300 0.148 0.000 1.101 455 V CB -0.860 31.001 31.823 0.063 0.000 0.971 455 V HN 1.307 nan 8.190 nan 0.000 0.434 456 A N -0.174 122.740 122.820 0.156 0.000 2.605 456 A HA 0.627 4.939 4.320 -0.013 0.000 0.294 456 A C 0.684 178.318 177.584 0.082 0.000 1.062 456 A CA -0.158 51.947 52.037 0.114 0.000 0.682 456 A CB 1.177 20.236 19.000 0.098 0.000 1.278 456 A HN 0.010 nan 8.150 nan 0.000 0.410 457 R N 0.787 121.315 120.500 0.046 0.000 2.096 457 R HA -0.173 4.159 4.340 -0.013 0.000 0.240 457 R C 1.735 178.030 176.300 -0.009 0.000 1.139 457 R CA 2.331 58.434 56.100 0.006 0.000 0.952 457 R CB -0.219 30.081 30.300 -0.001 0.000 0.854 457 R HN 0.840 nan 8.270 nan 0.000 0.436 458 I N 0.085 120.659 120.570 0.008 0.000 2.315 458 I HA -0.262 3.901 4.170 -0.013 0.000 0.248 458 I C 2.301 178.420 176.117 0.004 0.000 1.117 458 I CA 1.825 63.121 61.300 -0.007 0.000 1.404 458 I CB -0.276 37.721 38.000 -0.005 0.000 1.071 458 I HN 0.312 nan 8.210 nan 0.000 0.419 459 H N 0.573 119.613 119.070 -0.050 0.000 2.353 459 H HA -0.123 4.425 4.556 -0.013 0.000 0.300 459 H C 2.210 177.500 175.328 -0.062 0.000 1.090 459 H CA 2.196 58.210 56.048 -0.058 0.000 1.327 459 H CB -0.304 29.431 29.762 -0.046 0.000 1.383 459 H HN 0.282 nan 8.280 nan 0.000 0.508 460 S N 0.187 115.749 115.700 -0.231 0.000 2.368 460 S HA -0.120 4.342 4.470 -0.013 0.000 0.225 460 S C 1.918 176.384 174.600 -0.224 0.000 1.030 460 S CA 1.202 59.245 58.200 -0.261 0.000 0.999 460 S CB -0.077 63.049 63.200 -0.123 0.000 0.844 460 S HN 0.480 nan 8.310 nan 0.000 0.459 461 E N 1.045 121.142 120.200 -0.172 0.000 2.106 461 E HA -0.005 4.337 4.350 -0.013 0.000 0.192 461 E C 1.987 178.468 176.600 -0.200 0.000 0.984 461 E CA 0.610 56.901 56.400 -0.181 0.000 0.806 461 E CB -0.365 29.260 29.700 -0.124 0.000 0.750 461 E HN 0.492 nan 8.360 nan 0.000 0.458 462 I N 0.829 121.294 120.570 -0.174 0.000 2.286 462 I HA -0.271 3.892 4.170 -0.013 0.000 0.248 462 I C 2.316 178.302 176.117 -0.219 0.000 1.115 462 I CA 0.710 61.913 61.300 -0.162 0.000 1.392 462 I CB -0.108 37.828 38.000 -0.106 0.000 1.065 462 I HN 0.065 nan 8.210 nan 0.000 0.418 463 L N 0.143 121.198 121.223 -0.280 0.000 2.017 463 L HA -0.244 4.088 4.340 -0.013 0.000 0.208 463 L C 2.495 179.232 176.870 -0.221 0.000 1.073 463 L CA 1.565 56.244 54.840 -0.269 0.000 0.745 463 L CB -0.613 41.359 42.059 -0.145 0.000 0.894 463 L HN 0.184 nan 8.230 nan 0.000 0.432 464 K N -0.021 120.182 120.400 -0.327 0.000 2.097 464 K HA -0.144 4.169 4.320 -0.013 0.000 0.205 464 K C 2.124 178.513 176.600 -0.352 0.000 1.050 464 K CA 1.108 57.061 56.287 -0.556 0.000 0.938 464 K CB 0.042 31.986 32.500 -0.926 0.000 0.718 464 K HN 0.242 nan 8.250 nan 0.000 0.442 465 K N -0.378 119.873 120.400 -0.248 0.000 2.211 465 K HA 0.011 4.324 4.320 -0.013 0.000 0.201 465 K C 1.356 177.894 176.600 -0.104 0.000 1.052 465 K CA 0.979 57.177 56.287 -0.149 0.000 0.973 465 K CB 0.445 32.869 32.500 -0.127 0.000 0.766 465 K HN 0.073 nan 8.250 nan 0.000 0.466 466 T N 0.429 114.908 114.554 -0.125 0.000 3.066 466 T HA 0.060 4.402 4.350 -0.013 0.000 0.176 466 T C 1.508 176.146 174.700 -0.103 0.000 0.826 466 T CA -0.361 61.678 62.100 -0.102 0.000 1.280 466 T CB -0.461 68.341 68.868 -0.110 0.000 2.214 466 T HN -0.078 nan 8.240 nan 0.000 0.399 467 I N 1.070 121.517 120.570 -0.206 0.000 2.121 467 I HA -0.205 3.957 4.170 -0.013 0.000 0.243 467 I C 0.671 176.704 176.117 -0.141 0.000 1.047 467 I CA 1.915 63.023 61.300 -0.320 0.000 1.308 467 I CB -0.150 37.425 38.000 -0.707 0.000 1.015 467 I HN 0.297 nan 8.210 nan 0.000 0.410 468 F N 0.437 120.461 119.950 0.123 0.000 2.850 468 F HA 0.280 4.800 4.527 -0.013 0.000 0.306 468 F C 1.668 177.555 175.800 0.144 0.000 1.162 468 F CA -0.602 57.554 58.000 0.260 0.000 1.327 468 F CB -1.001 38.167 39.000 0.280 0.000 0.953 468 F HN -0.041 nan 8.300 nan 0.000 0.507 469 K N 0.797 121.302 120.400 0.175 0.000 2.020 469 K HA -0.212 4.101 4.320 -0.013 0.000 0.212 469 K C 1.289 177.932 176.600 0.072 0.000 1.050 469 K CA 2.196 58.526 56.287 0.073 0.000 0.929 469 K CB -0.008 32.502 32.500 0.017 0.000 0.714 469 K HN 0.167 nan 8.250 nan 0.000 0.443 470 D N -0.156 120.249 120.400 0.009 0.000 2.123 470 D HA -0.169 4.464 4.640 -0.013 0.000 0.196 470 D C 1.866 178.063 176.300 -0.172 0.000 0.992 470 D CA 1.234 55.115 54.000 -0.198 0.000 0.833 470 D CB -0.351 40.225 40.800 -0.373 0.000 0.954 470 D HN 0.225 nan 8.370 nan 0.000 0.455 471 F N -0.064 119.961 119.950 0.126 0.000 2.186 471 F HA -0.155 4.365 4.527 -0.013 0.000 0.299 471 F C 2.338 178.277 175.800 0.232 0.000 1.090 471 F CA 0.555 58.709 58.000 0.256 0.000 1.307 471 F CB -0.631 38.600 39.000 0.386 0.000 1.019 471 F HN -0.020 nan 8.300 nan 0.000 0.489 472 Y N 1.211 121.467 120.300 -0.074 0.000 2.242 472 Y HA -0.146 4.397 4.550 -0.012 0.000 0.291 472 Y C 2.082 177.959 175.900 -0.038 0.000 1.137 472 Y CA 1.479 59.356 58.100 -0.371 0.000 1.181 472 Y CB -0.563 37.502 38.460 -0.658 0.000 0.989 472 Y HN 0.127 nan 8.280 nan 0.000 0.527 473 E N -0.109 120.026 120.200 -0.108 0.000 2.150 473 E HA -0.177 4.166 4.350 -0.013 0.000 0.193 473 E C 2.220 178.871 176.600 0.086 0.000 0.985 473 E CA 0.899 57.254 56.400 -0.076 0.000 0.814 473 E CB -0.158 29.548 29.700 0.010 0.000 0.752 473 E HN 0.443 nan 8.360 nan 0.000 0.466 474 L N 0.832 122.151 121.223 0.161 0.000 2.044 474 L HA -0.074 4.258 4.340 -0.013 0.000 0.205 474 L C 0.141 177.094 176.870 0.138 0.000 1.075 474 L CA 1.478 56.450 54.840 0.220 0.000 0.747 474 L CB 0.147 42.344 42.059 0.230 0.000 0.903 474 L HN 0.057 nan 8.230 nan 0.000 0.435 475 E N 0.096 120.373 120.200 0.128 0.000 2.914 475 E HA 0.172 4.514 4.350 -0.013 0.000 0.246 475 E C -1.994 174.547 176.600 -0.098 0.000 1.146 475 E CA -1.432 54.946 56.400 -0.037 0.000 0.803 475 E CB 1.027 30.667 29.700 -0.100 0.000 1.409 475 E HN 0.191 nan 8.360 nan 0.000 0.392 476 P HA -0.240 nan 4.420 nan 0.000 0.220 476 P C 1.157 178.550 177.300 0.155 0.000 1.148 476 P CA 1.340 64.340 63.100 -0.167 0.000 0.803 476 P CB -0.048 31.432 31.700 -0.366 0.000 0.782 477 H N 0.194 119.367 119.070 0.171 0.000 2.457 477 H HA 0.069 4.618 4.556 -0.013 0.000 0.294 477 H C 1.559 176.979 175.328 0.152 0.000 1.064 477 H CA 0.803 56.941 56.048 0.150 0.000 1.330 477 H CB -0.652 29.169 29.762 0.099 0.000 1.395 477 H HN 0.130 nan 8.280 nan 0.000 0.541 478 K N 0.417 120.709 120.400 -0.180 0.000 2.097 478 K HA -0.011 4.301 4.320 -0.013 0.000 0.205 478 K C -0.020 176.437 176.600 -0.238 0.000 1.050 478 K CA 0.499 56.666 56.287 -0.201 0.000 0.938 478 K CB -0.036 32.210 32.500 -0.423 0.000 0.718 478 K HN 0.078 nan 8.250 nan 0.000 0.442 479 F N 1.958 121.941 119.950 0.055 0.000 2.467 479 F HA 0.103 4.623 4.527 -0.013 0.000 0.362 479 F C 0.634 176.441 175.800 0.011 0.000 1.090 479 F CA 0.157 58.189 58.000 0.053 0.000 1.202 479 F CB 0.581 39.666 39.000 0.142 0.000 1.113 479 F HN -0.006 nan 8.300 nan 0.000 0.541 480 Q N 1.678 121.506 119.800 0.047 0.000 2.882 480 Q HA 0.435 4.767 4.340 -0.013 0.000 0.315 480 Q C -1.150 174.809 176.000 -0.068 0.000 1.004 480 Q CA -1.337 54.450 55.803 -0.026 0.000 0.777 480 Q CB 2.892 31.563 28.738 -0.111 0.000 1.506 480 Q HN 0.647 nan 8.270 nan 0.000 0.489 481 N N 0.157 118.792 118.700 -0.108 0.000 2.242 481 N HA 0.296 5.028 4.740 -0.013 0.000 0.292 481 N C -1.678 173.729 175.510 -0.172 0.000 1.125 481 N CA -0.412 52.572 53.050 -0.109 0.000 0.783 481 N CB 1.562 40.008 38.487 -0.067 0.000 1.558 481 N HN 0.315 nan 8.380 nan 0.000 0.472 482 K N 2.428 122.737 120.400 -0.151 0.000 2.790 482 K HA 0.169 4.481 4.320 -0.013 0.000 0.253 482 K C -1.115 175.493 176.600 0.014 0.000 1.082 482 K CA -0.449 55.721 56.287 -0.195 0.000 1.067 482 K CB 1.105 33.268 32.500 -0.563 0.000 1.284 482 K HN 0.574 nan 8.250 nan 0.000 0.529 483 T N 2.017 116.597 114.554 0.044 0.000 2.871 483 T HA 0.039 4.382 4.350 -0.013 0.000 0.296 483 T C 0.841 175.672 174.700 0.218 0.000 0.998 483 T CA 0.419 62.598 62.100 0.132 0.000 1.162 483 T CB 0.226 69.175 68.868 0.135 0.000 0.947 483 T HN 0.344 nan 8.240 nan 0.000 0.536 484 N N 0.703 119.555 118.700 0.253 0.000 2.231 484 N HA 0.386 5.118 4.740 -0.013 0.000 0.223 484 N C 0.556 176.258 175.510 0.320 0.000 1.329 484 N CA -0.064 53.172 53.050 0.310 0.000 0.889 484 N CB 0.343 38.955 38.487 0.208 0.000 1.125 484 N HN 0.774 nan 8.380 nan 0.000 0.447 485 G N -0.848 108.149 108.800 0.327 0.000 2.645 485 G HA2 0.599 4.552 3.960 -0.013 0.000 0.292 485 G HA3 0.599 4.552 3.960 -0.013 0.000 0.292 485 G C -1.510 173.532 174.900 0.236 0.000 1.415 485 G CA -0.756 44.522 45.100 0.296 0.000 0.785 485 G HN 0.602 nan 8.290 nan 0.000 0.483 486 I N -2.620 118.074 120.570 0.207 0.000 2.969 486 I HA 0.775 4.937 4.170 -0.013 0.000 0.307 486 I C -0.221 176.056 176.117 0.268 0.000 1.149 486 I CA -1.026 60.391 61.300 0.195 0.000 1.008 486 I CB 2.414 40.419 38.000 0.010 0.000 1.232 486 I HN 0.500 nan 8.210 nan 0.000 0.435 487 T N 3.560 118.335 114.554 0.368 0.000 2.761 487 T HA 0.385 4.727 4.350 -0.013 0.000 0.296 487 T C -1.442 173.379 174.700 0.201 0.000 0.934 487 T CA -1.714 60.522 62.100 0.227 0.000 1.091 487 T CB 0.755 69.702 68.868 0.133 0.000 0.896 487 T HN 0.613 nan 8.240 nan 0.000 0.515 488 P HA -0.030 nan 4.420 nan 0.000 0.225 488 P C 1.191 178.468 177.300 -0.039 0.000 1.148 488 P CA 0.566 63.705 63.100 0.065 0.000 0.779 488 P CB 0.340 32.058 31.700 0.030 0.000 0.780 489 R N 0.264 120.689 120.500 -0.124 0.000 2.064 489 R HA -0.024 4.309 4.340 -0.013 0.000 0.228 489 R C 2.728 178.913 176.300 -0.191 0.000 1.144 489 R CA 1.636 57.617 56.100 -0.198 0.000 0.932 489 R CB -1.168 29.013 30.300 -0.198 0.000 0.833 489 R HN 0.073 nan 8.270 nan 0.000 0.429 490 R N -0.747 119.583 120.500 -0.283 0.000 2.073 490 R HA -0.104 4.228 4.340 -0.013 0.000 0.229 490 R C 1.175 177.153 176.300 -0.536 0.000 1.120 490 R CA 1.520 57.310 56.100 -0.517 0.000 0.967 490 R CB -0.205 29.599 30.300 -0.827 0.000 0.862 490 R HN 0.300 nan 8.270 nan 0.000 0.436 491 W N 0.194 121.450 121.300 -0.073 0.000 3.377 491 W HA 0.119 4.771 4.660 -0.013 0.000 0.277 491 W C 1.006 177.492 176.519 -0.054 0.000 1.311 491 W CA -0.651 56.650 57.345 -0.073 0.000 1.703 491 W CB 0.350 29.772 29.460 -0.062 0.000 1.095 491 W HN 0.259 nan 8.180 nan 0.000 0.715 492 L N -2.499 118.784 121.223 0.100 0.000 2.604 492 L HA 0.161 4.493 4.340 -0.013 0.000 0.150 492 L C 1.731 178.618 176.870 0.028 0.000 1.292 492 L CA 0.662 55.553 54.840 0.085 0.000 0.977 492 L CB -0.844 41.287 42.059 0.120 0.000 1.943 492 L HN -0.270 nan 8.230 nan 0.000 0.508 493 V N 1.328 121.235 119.914 -0.011 0.000 2.332 493 V HA -0.266 3.846 4.120 -0.013 0.000 0.248 493 V C 2.438 178.503 176.094 -0.048 0.000 1.055 493 V CA 2.516 64.796 62.300 -0.033 0.000 1.038 493 V CB -0.704 31.066 31.823 -0.089 0.000 0.651 493 V HN 0.520 nan 8.190 nan 0.000 0.450 494 L N 0.390 121.557 121.223 -0.093 0.000 2.049 494 L HA -0.148 4.185 4.340 -0.013 0.000 0.203 494 L C 2.499 179.309 176.870 -0.101 0.000 1.074 494 L CA 2.171 56.941 54.840 -0.117 0.000 0.749 494 L CB -0.226 41.715 42.059 -0.198 0.000 0.907 494 L HN 0.632 nan 8.230 nan 0.000 0.439 495 C N -1.618 117.619 119.300 -0.105 0.000 2.514 495 C HA 0.186 4.639 4.460 -0.013 0.000 0.271 495 C C 1.159 176.134 174.990 -0.025 0.000 1.399 495 C CA -0.288 58.688 59.018 -0.070 0.000 1.765 495 C CB -1.070 26.636 27.740 -0.057 0.000 1.893 495 C HN 0.580 nan 8.230 nan 0.000 0.531 496 N N 1.105 119.800 118.700 -0.008 0.000 2.733 496 N HA 0.285 5.018 4.740 -0.013 0.000 0.271 496 N C -1.793 173.727 175.510 0.017 0.000 1.720 496 N CA -1.555 51.500 53.050 0.008 0.000 0.803 496 N CB 0.805 39.305 38.487 0.021 0.000 1.208 496 N HN 0.236 nan 8.380 nan 0.000 0.498 497 P HA -0.040 nan 4.420 nan 0.000 0.218 497 P C 1.398 178.712 177.300 0.023 0.000 1.149 497 P CA 0.877 63.987 63.100 0.016 0.000 0.817 497 P CB 0.262 31.965 31.700 0.005 0.000 0.785 498 G N 0.784 109.593 108.800 0.014 0.000 2.446 498 G HA2 -0.254 3.698 3.960 -0.013 0.000 0.217 498 G HA3 -0.254 3.698 3.960 -0.013 0.000 0.217 498 G C 1.518 176.423 174.900 0.008 0.000 1.168 498 G CA 0.763 45.868 45.100 0.008 0.000 0.771 498 G HN 0.265 nan 8.290 nan 0.000 0.551 499 L N 1.195 122.425 121.223 0.011 0.000 2.109 499 L HA 0.287 4.620 4.340 -0.013 0.000 0.207 499 L C 2.993 179.891 176.870 0.047 0.000 1.086 499 L CA 1.953 56.797 54.840 0.007 0.000 0.760 499 L CB -0.615 41.449 42.059 0.009 0.000 0.910 499 L HN 0.222 nan 8.230 nan 0.000 0.437 500 A N -0.774 122.095 122.820 0.082 0.000 1.930 500 A HA -0.209 4.104 4.320 -0.013 0.000 0.217 500 A C 2.220 179.898 177.584 0.156 0.000 1.175 500 A CA 1.577 53.712 52.037 0.164 0.000 0.627 500 A CB -0.593 18.498 19.000 0.152 0.000 0.815 500 A HN 0.532 nan 8.150 nan 0.000 0.443 501 E N 0.952 121.206 120.200 0.090 0.000 2.028 501 E HA -0.173 4.169 4.350 -0.013 0.000 0.191 501 E C 1.855 178.497 176.600 0.071 0.000 0.988 501 E CA 1.687 58.132 56.400 0.074 0.000 0.799 501 E CB -0.543 29.182 29.700 0.042 0.000 0.755 501 E HN 0.727 nan 8.360 nan 0.000 0.447 502 I N -1.688 118.916 120.570 0.058 0.000 2.454 502 I HA -0.145 4.018 4.170 -0.013 0.000 0.254 502 I C 2.187 178.390 176.117 0.144 0.000 1.156 502 I CA 1.159 62.507 61.300 0.080 0.000 1.433 502 I CB -0.368 37.647 38.000 0.025 0.000 1.082 502 I HN 0.034 nan 8.210 nan 0.000 0.432 503 I N 1.933 122.565 120.570 0.103 0.000 2.286 503 I HA -0.173 3.989 4.170 -0.013 0.000 0.245 503 I C 2.996 179.083 176.117 -0.050 0.000 1.104 503 I CA 1.301 62.601 61.300 0.000 0.000 1.397 503 I CB -0.379 37.517 38.000 -0.172 0.000 1.072 503 I HN 0.292 nan 8.210 nan 0.000 0.417 504 A N 0.183 123.062 122.820 0.097 0.000 1.972 504 A HA -0.216 4.096 4.320 -0.013 0.000 0.219 504 A C 2.153 179.773 177.584 0.060 0.000 1.169 504 A CA 1.493 53.630 52.037 0.166 0.000 0.635 504 A CB -0.541 18.584 19.000 0.208 0.000 0.810 504 A HN 0.420 nan 8.150 nan 0.000 0.446 505 E N -0.634 119.584 120.200 0.030 0.000 2.153 505 E HA -0.187 4.155 4.350 -0.013 0.000 0.194 505 E C 2.247 178.816 176.600 -0.051 0.000 0.988 505 E CA 1.158 57.561 56.400 0.004 0.000 0.811 505 E CB -0.008 29.701 29.700 0.016 0.000 0.746 505 E HN 0.527 nan 8.360 nan 0.000 0.466 506 R N -0.033 120.378 120.500 -0.147 0.000 2.103 506 R HA 0.080 4.412 4.340 -0.013 0.000 0.212 506 R C 2.296 178.492 176.300 -0.173 0.000 1.107 506 R CA 0.828 56.752 56.100 -0.295 0.000 1.025 506 R CB -0.241 29.552 30.300 -0.845 0.000 0.929 506 R HN 0.280 nan 8.270 nan 0.000 0.456 507 I N -2.485 118.000 120.570 -0.142 0.000 4.082 507 I HA 0.446 4.609 4.170 -0.013 0.000 0.337 507 I C 0.531 176.682 176.117 0.057 0.000 1.352 507 I CA 0.092 61.369 61.300 -0.038 0.000 1.097 507 I CB 0.898 38.854 38.000 -0.074 0.000 1.048 507 I HN 0.214 nan 8.210 nan 0.000 0.393 508 G N 1.832 110.681 108.800 0.081 0.000 2.627 508 G HA2 -0.204 3.749 3.960 -0.013 0.000 0.214 508 G HA3 -0.204 3.749 3.960 -0.013 0.000 0.214 508 G C -0.019 175.018 174.900 0.229 0.000 1.331 508 G CA 0.180 45.354 45.100 0.123 0.000 0.891 508 G HN 0.388 nan 8.290 nan 0.000 0.539 509 E N -0.533 119.749 120.200 0.137 0.000 2.473 509 E HA 0.095 4.438 4.350 -0.013 0.000 0.204 509 E C 1.802 178.358 176.600 -0.074 0.000 0.994 509 E CA -0.063 56.352 56.400 0.025 0.000 0.945 509 E CB 0.295 30.001 29.700 0.010 0.000 0.990 509 E HN 0.457 nan 8.360 nan 0.000 0.493 510 E N 0.590 120.815 120.200 0.043 0.000 2.396 510 E HA -0.178 4.165 4.350 -0.013 0.000 0.200 510 E C 1.531 178.140 176.600 0.015 0.000 1.023 510 E CA 0.777 57.195 56.400 0.030 0.000 0.857 510 E CB 0.032 29.768 29.700 0.062 0.000 0.775 510 E HN 0.505 nan 8.360 nan 0.000 0.525 511 Y N -1.219 119.087 120.300 0.011 0.000 2.439 511 Y HA -0.049 4.494 4.550 -0.011 0.000 0.292 511 Y C 1.854 177.733 175.900 -0.033 0.000 1.130 511 Y CA 0.314 58.412 58.100 -0.004 0.000 1.254 511 Y CB -0.359 38.101 38.460 0.000 0.000 1.000 511 Y HN -0.096 nan 8.280 nan 0.000 0.554 512 I N 1.258 121.381 120.570 -0.746 0.000 2.423 512 I HA -0.217 3.946 4.170 -0.013 0.000 0.254 512 I C 1.578 177.466 176.117 -0.382 0.000 1.151 512 I CA 1.779 62.691 61.300 -0.646 0.000 1.421 512 I CB -1.348 36.175 38.000 -0.796 0.000 1.079 512 I HN 0.525 nan 8.210 nan 0.000 0.431 513 S N -1.594 113.983 115.700 -0.204 0.000 2.650 513 S HA 0.202 4.665 4.470 -0.013 0.000 0.240 513 S C 0.263 174.857 174.600 -0.012 0.000 1.007 513 S CA -0.421 57.733 58.200 -0.077 0.000 0.984 513 S CB 0.449 63.675 63.200 0.044 0.000 0.910 513 S HN 0.297 nan 8.310 nan 0.000 0.509 514 D N 0.906 121.307 120.400 0.002 0.000 2.978 514 D HA 0.231 4.864 4.640 -0.013 0.000 0.268 514 D C 0.667 177.019 176.300 0.085 0.000 1.252 514 D CA -0.336 53.688 54.000 0.041 0.000 0.771 514 D CB -0.099 40.729 40.800 0.047 0.000 1.361 514 D HN 0.103 nan 8.370 nan 0.000 0.558 515 L N 0.423 121.697 121.223 0.085 0.000 2.263 515 L HA -0.140 4.192 4.340 -0.013 0.000 0.216 515 L C 1.118 178.042 176.870 0.089 0.000 1.111 515 L CA 1.213 56.130 54.840 0.128 0.000 0.773 515 L CB 0.053 42.175 42.059 0.106 0.000 0.906 515 L HN 0.308 nan 8.230 nan 0.000 0.439 516 D N -0.289 120.141 120.400 0.050 0.000 2.182 516 D HA -0.220 4.412 4.640 -0.013 0.000 0.201 516 D C 2.022 178.341 176.300 0.033 0.000 0.986 516 D CA 0.955 54.969 54.000 0.022 0.000 0.847 516 D CB -0.016 40.786 40.800 0.004 0.000 0.942 516 D HN 0.488 nan 8.370 nan 0.000 0.467 517 Q N -0.202 119.634 119.800 0.061 0.000 2.439 517 Q HA -0.118 4.215 4.340 -0.013 0.000 0.211 517 Q C 1.774 177.786 176.000 0.020 0.000 0.978 517 Q CA 0.115 55.953 55.803 0.058 0.000 0.897 517 Q CB 0.055 28.857 28.738 0.107 0.000 0.956 517 Q HN 0.187 nan 8.270 nan 0.000 0.483 518 L N 0.640 121.868 121.223 0.009 0.000 2.265 518 L HA -0.160 4.172 4.340 -0.013 0.000 0.215 518 L C 2.047 178.905 176.870 -0.021 0.000 1.117 518 L CA 1.495 56.303 54.840 -0.052 0.000 0.782 518 L CB -0.449 41.596 42.059 -0.024 0.000 0.914 518 L HN 0.134 nan 8.230 nan 0.000 0.441 519 R N -0.428 120.073 120.500 0.002 0.000 2.139 519 R HA -0.185 4.148 4.340 -0.013 0.000 0.243 519 R C 1.912 178.217 176.300 0.008 0.000 1.145 519 R CA 1.063 57.167 56.100 0.007 0.000 0.976 519 R CB -0.223 30.079 30.300 0.003 0.000 0.866 519 R HN 0.421 nan 8.270 nan 0.000 0.449 520 K N 0.546 120.951 120.400 0.008 0.000 2.442 520 K HA -0.083 4.230 4.320 -0.013 0.000 0.198 520 K C 1.796 178.441 176.600 0.076 0.000 1.044 520 K CA 0.648 56.952 56.287 0.028 0.000 0.948 520 K CB -0.015 32.507 32.500 0.036 0.000 0.762 520 K HN 0.247 nan 8.250 nan 0.000 0.472 521 L N 0.577 121.822 121.223 0.037 0.000 2.478 521 L HA -0.099 4.233 4.340 -0.013 0.000 0.223 521 L C 1.808 178.738 176.870 0.100 0.000 1.140 521 L CA 0.043 54.912 54.840 0.048 0.000 0.842 521 L CB -0.123 41.925 42.059 -0.018 0.000 0.953 521 L HN 0.146 nan 8.230 nan 0.000 0.452 522 L N 0.067 121.321 121.223 0.052 0.000 2.131 522 L HA -0.179 4.153 4.340 -0.013 0.000 0.210 522 L C 2.676 179.536 176.870 -0.017 0.000 1.092 522 L CA 1.957 56.814 54.840 0.027 0.000 0.759 522 L CB -0.852 41.209 42.059 0.005 0.000 0.903 522 L HN 0.324 nan 8.230 nan 0.000 0.435 523 S N -2.627 113.019 115.700 -0.090 0.000 2.660 523 S HA -0.071 4.391 4.470 -0.013 0.000 0.223 523 S C 1.119 175.451 174.600 -0.448 0.000 0.963 523 S CA 0.227 58.270 58.200 -0.263 0.000 0.932 523 S CB -0.539 62.448 63.200 -0.355 0.000 0.775 523 S HN 0.476 nan 8.310 nan 0.000 0.531 524 Y N -0.698 119.524 120.300 -0.130 0.000 2.557 524 Y HA 0.426 4.974 4.550 -0.004 0.000 0.247 524 Y C 1.851 177.762 175.900 0.018 0.000 1.164 524 Y CA -0.580 57.433 58.100 -0.144 0.000 1.218 524 Y CB 0.231 38.397 38.460 -0.490 0.000 1.210 524 Y HN 0.256 nan 8.280 nan 0.000 0.529 525 V N 0.512 120.503 119.914 0.127 0.000 2.828 525 V HA -0.224 3.888 4.120 -0.013 0.000 0.260 525 V C 0.849 177.008 176.094 0.109 0.000 1.101 525 V CA 2.276 64.658 62.300 0.136 0.000 1.123 525 V CB -0.036 31.831 31.823 0.073 0.000 0.704 525 V HN 0.378 nan 8.190 nan 0.000 0.493 526 D N -1.107 119.338 120.400 0.076 0.000 2.469 526 D HA 0.121 4.753 4.640 -0.013 0.000 0.213 526 D C 0.320 176.666 176.300 0.077 0.000 1.135 526 D CA -0.097 53.937 54.000 0.058 0.000 0.834 526 D CB 0.183 40.993 40.800 0.018 0.000 1.009 526 D HN 0.422 nan 8.370 nan 0.000 0.507 527 D N 1.636 122.113 120.400 0.128 0.000 2.371 527 D HA -0.041 4.592 4.640 -0.013 0.000 0.256 527 D C 1.239 177.643 176.300 0.175 0.000 1.193 527 D CA 0.092 54.190 54.000 0.163 0.000 0.881 527 D CB 1.585 42.550 40.800 0.275 0.000 1.143 527 D HN -0.235 nan 8.370 nan 0.000 0.473 528 E N 3.381 123.651 120.200 0.117 0.000 2.077 528 E HA -0.132 4.211 4.350 -0.013 0.000 0.193 528 E C 1.679 178.339 176.600 0.099 0.000 0.989 528 E CA 1.376 57.831 56.400 0.091 0.000 0.800 528 E CB -0.224 29.512 29.700 0.060 0.000 0.746 528 E HN 0.605 nan 8.360 nan 0.000 0.452 529 A N -0.164 122.729 122.820 0.122 0.000 1.873 529 A HA -0.146 4.166 4.320 -0.013 0.000 0.215 529 A C 2.208 179.879 177.584 0.146 0.000 1.186 529 A CA 1.291 53.396 52.037 0.113 0.000 0.616 529 A CB -0.950 18.120 19.000 0.117 0.000 0.823 529 A HN 0.341 nan 8.150 nan 0.000 0.442 530 F N 0.692 120.663 119.950 0.035 0.000 2.069 530 F HA -0.196 4.325 4.527 -0.011 0.000 0.298 530 F C 2.070 177.881 175.800 0.018 0.000 1.113 530 F CA 1.627 59.635 58.000 0.013 0.000 1.214 530 F CB -0.448 38.574 39.000 0.037 0.000 0.978 530 F HN 0.178 nan 8.300 nan 0.000 0.474 531 I N -0.212 120.417 120.570 0.098 0.000 2.194 531 I HA -0.375 3.788 4.170 -0.013 0.000 0.246 531 I C 2.637 178.716 176.117 -0.063 0.000 1.093 531 I CA 1.801 63.100 61.300 -0.001 0.000 1.355 531 I CB -0.476 37.561 38.000 0.062 0.000 1.046 531 I HN 0.093 nan 8.210 nan 0.000 0.413 532 R N 0.758 121.240 120.500 -0.031 0.000 2.075 532 R HA -0.179 4.154 4.340 -0.013 0.000 0.232 532 R C 1.884 178.136 176.300 -0.081 0.000 1.126 532 R CA 1.777 57.854 56.100 -0.039 0.000 0.963 532 R CB -0.093 30.202 30.300 -0.009 0.000 0.858 532 R HN 0.278 nan 8.270 nan 0.000 0.435 533 D N -0.348 119.978 120.400 -0.123 0.000 2.084 533 D HA -0.119 4.514 4.640 -0.013 0.000 0.196 533 D C 1.956 178.117 176.300 -0.232 0.000 0.985 533 D CA 1.330 55.234 54.000 -0.160 0.000 0.826 533 D CB -0.316 40.386 40.800 -0.163 0.000 0.978 533 D HN 0.046 nan 8.370 nan 0.000 0.456 534 V N 1.545 121.215 119.914 -0.406 0.000 2.324 534 V HA -0.290 3.822 4.120 -0.013 0.000 0.250 534 V C 2.475 178.472 176.094 -0.162 0.000 1.060 534 V CA 2.044 64.130 62.300 -0.357 0.000 1.042 534 V CB -0.814 30.745 31.823 -0.440 0.000 0.650 534 V HN 0.210 nan 8.190 nan 0.000 0.450 535 A N -0.918 121.830 122.820 -0.121 0.000 2.015 535 A HA -0.214 4.099 4.320 -0.013 0.000 0.219 535 A C 2.346 179.895 177.584 -0.058 0.000 1.163 535 A CA 1.911 53.913 52.037 -0.058 0.000 0.646 535 A CB -0.396 18.577 19.000 -0.045 0.000 0.806 535 A HN 0.543 nan 8.150 nan 0.000 0.448 536 K N 0.196 120.553 120.400 -0.071 0.000 2.031 536 K HA -0.094 4.219 4.320 -0.013 0.000 0.205 536 K C 2.019 178.591 176.600 -0.045 0.000 1.049 536 K CA 1.622 57.877 56.287 -0.053 0.000 0.939 536 K CB -0.351 32.119 32.500 -0.050 0.000 0.717 536 K HN 0.399 nan 8.250 nan 0.000 0.438 537 V N 0.131 120.012 119.914 -0.055 0.000 2.332 537 V HA -0.216 3.897 4.120 -0.013 0.000 0.248 537 V C 2.226 178.306 176.094 -0.023 0.000 1.055 537 V CA 2.159 64.437 62.300 -0.037 0.000 1.038 537 V CB -0.755 31.041 31.823 -0.045 0.000 0.651 537 V HN 0.219 nan 8.190 nan 0.000 0.450 538 K N 0.636 121.021 120.400 -0.026 0.000 2.147 538 K HA -0.212 4.100 4.320 -0.013 0.000 0.205 538 K C 2.249 178.830 176.600 -0.031 0.000 1.049 538 K CA 2.112 58.393 56.287 -0.010 0.000 0.936 538 K CB -0.609 31.901 32.500 0.016 0.000 0.722 538 K HN 0.594 nan 8.250 nan 0.000 0.446 539 Q N 0.898 120.674 119.800 -0.041 0.000 2.123 539 Q HA -0.048 4.285 4.340 -0.013 0.000 0.199 539 Q C 1.560 177.541 176.000 -0.032 0.000 0.966 539 Q CA 1.745 57.514 55.803 -0.057 0.000 0.845 539 Q CB 0.007 28.713 28.738 -0.052 0.000 0.907 539 Q HN 0.519 nan 8.270 nan 0.000 0.439 540 E N -0.555 119.638 120.200 -0.013 0.000 2.072 540 E HA -0.124 4.219 4.350 -0.013 0.000 0.191 540 E C 1.657 178.278 176.600 0.034 0.000 0.985 540 E CA 0.875 57.281 56.400 0.010 0.000 0.801 540 E CB 0.024 29.728 29.700 0.007 0.000 0.750 540 E HN 0.376 nan 8.360 nan 0.000 0.452 541 N N 0.943 119.661 118.700 0.030 0.000 2.120 541 N HA -0.135 4.598 4.740 -0.013 0.000 0.188 541 N C 1.449 177.030 175.510 0.117 0.000 1.024 541 N CA 1.063 54.150 53.050 0.062 0.000 0.852 541 N CB -0.062 38.447 38.487 0.037 0.000 1.003 541 N HN 0.105 nan 8.380 nan 0.000 0.424 542 K N 0.403 120.836 120.400 0.055 0.000 2.148 542 K HA 0.033 4.345 4.320 -0.013 0.000 0.204 542 K C 2.022 178.716 176.600 0.157 0.000 1.050 542 K CA 0.557 56.880 56.287 0.059 0.000 0.942 542 K CB -0.078 32.220 32.500 -0.337 0.000 0.724 542 K HN 0.120 nan 8.250 nan 0.000 0.446 543 L N 0.963 122.236 121.223 0.083 0.000 2.056 543 L HA -0.145 4.188 4.340 -0.013 0.000 0.207 543 L C 2.546 179.498 176.870 0.136 0.000 1.078 543 L CA 1.080 55.975 54.840 0.093 0.000 0.749 543 L CB -0.213 41.877 42.059 0.052 0.000 0.901 543 L HN 0.080 nan 8.230 nan 0.000 0.433 544 K N -0.484 120.006 120.400 0.150 0.000 2.148 544 K HA -0.172 4.140 4.320 -0.013 0.000 0.204 544 K C 2.123 178.870 176.600 0.245 0.000 1.050 544 K CA 1.324 57.711 56.287 0.167 0.000 0.942 544 K CB -0.084 32.502 32.500 0.143 0.000 0.724 544 K HN 0.127 nan 8.250 nan 0.000 0.446 545 F N 1.296 121.332 119.950 0.145 0.000 2.187 545 F HA -0.008 4.512 4.527 -0.012 0.000 0.295 545 F C 2.052 177.985 175.800 0.221 0.000 1.091 545 F CA 0.973 59.075 58.000 0.169 0.000 1.308 545 F CB -0.431 38.669 39.000 0.166 0.000 1.030 545 F HN -0.024 nan 8.300 nan 0.000 0.487 546 A N 0.182 123.120 122.820 0.195 0.000 1.978 546 A HA -0.065 4.247 4.320 -0.013 0.000 0.220 546 A C 2.361 179.942 177.584 -0.006 0.000 1.170 546 A CA 1.804 53.881 52.037 0.067 0.000 0.636 546 A CB -1.385 17.710 19.000 0.158 0.000 0.810 546 A HN 0.459 nan 8.150 nan 0.000 0.448 547 A N -1.342 121.510 122.820 0.053 0.000 1.855 547 A HA 0.023 4.336 4.320 -0.013 0.000 0.213 547 A C 2.096 179.698 177.584 0.031 0.000 1.195 547 A CA 1.395 53.463 52.037 0.052 0.000 0.610 547 A CB -0.942 18.107 19.000 0.081 0.000 0.837 547 A HN 0.747 nan 8.150 nan 0.000 0.444 548 Y N 0.344 120.594 120.300 -0.082 0.000 2.139 548 Y HA -0.263 4.279 4.550 -0.012 0.000 0.282 548 Y C 1.899 177.720 175.900 -0.132 0.000 1.179 548 Y CA 1.912 59.958 58.100 -0.090 0.000 1.161 548 Y CB -0.451 37.970 38.460 -0.064 0.000 0.970 548 Y HN 0.192 nan 8.280 nan 0.000 0.511 549 L N 0.947 122.124 121.223 -0.076 0.000 2.013 549 L HA -0.249 4.083 4.340 -0.013 0.000 0.212 549 L C 2.406 179.230 176.870 -0.077 0.000 1.073 549 L CA 2.225 57.001 54.840 -0.107 0.000 0.753 549 L CB -1.117 40.798 42.059 -0.240 0.000 0.890 549 L HN 0.375 nan 8.230 nan 0.000 0.432 550 E N -1.676 118.484 120.200 -0.066 0.000 2.208 550 E HA -0.151 4.192 4.350 -0.013 0.000 0.193 550 E C 2.275 178.827 176.600 -0.079 0.000 0.988 550 E CA 0.352 56.735 56.400 -0.028 0.000 0.828 550 E CB 0.097 29.816 29.700 0.031 0.000 0.763 550 E HN 0.360 nan 8.360 nan 0.000 0.478 551 R N 0.688 121.104 120.500 -0.139 0.000 2.082 551 R HA -0.153 4.179 4.340 -0.013 0.000 0.228 551 R C 2.033 178.167 176.300 -0.276 0.000 1.140 551 R CA 1.654 57.646 56.100 -0.180 0.000 0.920 551 R CB -0.051 30.130 30.300 -0.198 0.000 0.828 551 R HN -0.017 nan 8.270 nan 0.000 0.430 552 E N -1.586 118.312 120.200 -0.503 0.000 2.299 552 E HA -0.075 4.267 4.350 -0.013 0.000 0.193 552 E C 0.889 177.055 176.600 -0.723 0.000 0.998 552 E CA 0.893 56.879 56.400 -0.690 0.000 0.851 552 E CB 0.358 29.409 29.700 -1.081 0.000 0.795 552 E HN 0.378 nan 8.360 nan 0.000 0.492 553 Y N -0.179 119.993 120.300 -0.214 0.000 2.467 553 Y HA 0.283 4.825 4.550 -0.013 0.000 0.259 553 Y C -0.334 175.532 175.900 -0.056 0.000 1.084 553 Y CA -0.402 57.639 58.100 -0.097 0.000 1.275 553 Y CB 0.811 39.234 38.460 -0.062 0.000 1.208 553 Y HN -0.343 nan 8.280 nan 0.000 0.511 554 K N 0.984 121.416 120.400 0.052 0.000 6.228 554 K HA -0.073 4.240 4.320 -0.013 0.000 0.581 554 K C -0.645 175.993 176.600 0.063 0.000 1.437 554 K CA 0.928 57.239 56.287 0.041 0.000 1.549 554 K CB -1.603 30.910 32.500 0.021 0.000 1.807 554 K HN 0.461 nan 8.250 nan 0.000 0.358 555 V N -2.599 117.357 119.914 0.070 0.000 5.829 555 V HA 0.009 4.122 4.120 -0.013 0.000 0.697 555 V C -0.132 176.038 176.094 0.127 0.000 1.997 555 V CA -0.025 62.330 62.300 0.091 0.000 3.668 555 V CB -1.125 30.748 31.823 0.083 0.000 0.116 555 V HN 0.985 nan 8.190 nan 0.000 0.567 556 H N 0.879 119.954 119.070 0.008 0.000 2.892 556 H HA -0.087 4.461 4.556 -0.013 0.000 0.274 556 H C -0.254 175.078 175.328 0.006 0.000 0.794 556 H CA 1.928 57.982 56.048 0.010 0.000 1.128 556 H CB 0.092 29.865 29.762 0.019 0.000 1.126 556 H HN 1.328 nan 8.280 nan 0.000 0.623 557 I N 0.082 120.305 120.570 -0.578 0.000 3.195 557 I HA 0.439 4.602 4.170 -0.013 0.000 0.313 557 I C -0.649 175.228 176.117 -0.400 0.000 1.237 557 I CA -1.302 59.807 61.300 -0.319 0.000 0.963 557 I CB 2.205 40.100 38.000 -0.174 0.000 1.278 557 I HN 0.609 nan 8.210 nan 0.000 0.460 558 N N 2.801 121.464 118.700 -0.061 0.000 2.469 558 N HA 0.516 5.249 4.740 -0.013 0.000 0.253 558 N C -2.243 173.355 175.510 0.145 0.000 0.970 558 N CA -2.544 50.528 53.050 0.036 0.000 0.940 558 N CB 1.650 40.184 38.487 0.078 0.000 1.128 558 N HN 0.329 nan 8.380 nan 0.000 0.503 559 P HA 0.047 nan 4.420 nan 0.000 0.234 559 P C -0.059 177.168 177.300 -0.123 0.000 1.167 559 P CA 0.979 64.067 63.100 -0.019 0.000 0.763 559 P CB 0.190 31.890 31.700 -0.000 0.000 0.835 560 N N -1.180 117.507 118.700 -0.022 0.000 2.392 560 N HA -0.002 4.730 4.740 -0.013 0.000 0.177 560 N C 0.602 176.127 175.510 0.024 0.000 1.066 560 N CA -0.068 52.974 53.050 -0.013 0.000 0.895 560 N CB 0.070 38.571 38.487 0.024 0.000 0.988 560 N HN 0.132 nan 8.380 nan 0.000 0.457 561 S N 0.357 116.078 115.700 0.035 0.000 2.608 561 S HA 0.155 4.617 4.470 -0.013 0.000 0.261 561 S C 0.095 174.652 174.600 -0.071 0.000 1.314 561 S CA -0.785 57.433 58.200 0.030 0.000 0.992 561 S CB 0.876 64.118 63.200 0.070 0.000 0.935 561 S HN 0.158 nan 8.310 nan 0.000 0.564 562 L N 1.475 122.524 121.223 -0.290 0.000 2.367 562 L HA 0.345 4.677 4.340 -0.013 0.000 0.275 562 L C -1.011 175.836 176.870 -0.040 0.000 1.129 562 L CA -0.594 53.879 54.840 -0.611 0.000 0.839 562 L CB -0.014 41.443 42.059 -1.003 0.000 1.133 562 L HN 0.623 nan 8.230 nan 0.000 0.453 563 F N 3.520 123.332 119.950 -0.230 0.000 2.368 563 F HA 0.182 4.702 4.527 -0.011 0.000 0.362 563 F C 0.351 176.080 175.800 -0.118 0.000 1.137 563 F CA -1.062 56.871 58.000 -0.112 0.000 1.161 563 F CB 0.210 39.192 39.000 -0.029 0.000 1.265 563 F HN 0.388 nan 8.300 nan 0.000 0.530 564 D N 3.833 124.230 120.400 -0.005 0.000 2.428 564 D HA 0.302 4.935 4.640 -0.013 0.000 0.221 564 D C -0.962 175.275 176.300 -0.105 0.000 1.123 564 D CA 0.049 54.003 54.000 -0.078 0.000 0.869 564 D CB 1.047 41.788 40.800 -0.097 0.000 1.032 564 D HN 0.281 nan 8.370 nan 0.000 0.506 565 V N 2.791 122.632 119.914 -0.122 0.000 2.656 565 V HA 0.570 4.682 4.120 -0.013 0.000 0.307 565 V C -1.432 174.528 176.094 -0.224 0.000 1.051 565 V CA -0.702 61.510 62.300 -0.146 0.000 0.893 565 V CB 1.950 33.732 31.823 -0.068 0.000 0.999 565 V HN 0.509 nan 8.190 nan 0.000 0.426 566 Q N 4.360 124.034 119.800 -0.211 0.000 2.394 566 Q HA 0.660 4.993 4.340 -0.013 0.000 0.261 566 Q C -1.503 174.331 176.000 -0.276 0.000 1.023 566 Q CA -0.653 55.010 55.803 -0.233 0.000 0.720 566 Q CB 1.896 30.522 28.738 -0.186 0.000 1.241 566 Q HN 1.159 nan 8.270 nan 0.000 0.483 567 V N 2.285 122.017 119.914 -0.303 0.000 2.407 567 V HA 0.830 4.942 4.120 -0.013 0.000 0.291 567 V C -0.823 174.974 176.094 -0.494 0.000 1.018 567 V CA -0.577 61.342 62.300 -0.636 0.000 0.842 567 V CB 1.159 32.340 31.823 -1.071 0.000 0.996 567 V HN 0.786 nan 8.190 nan 0.000 0.426 568 K N 2.801 122.992 120.400 -0.348 0.000 2.809 568 K HA 0.469 4.782 4.320 -0.013 0.000 0.293 568 K C -1.208 175.408 176.600 0.026 0.000 1.061 568 K CA -1.049 55.215 56.287 -0.038 0.000 0.837 568 K CB 1.141 33.609 32.500 -0.053 0.000 1.524 568 K HN 0.444 nan 8.250 nan 0.000 0.370 569 R N 0.777 121.346 120.500 0.116 0.000 2.698 569 R HA 0.171 4.504 4.340 -0.013 0.000 0.266 569 R C 0.390 176.718 176.300 0.046 0.000 1.026 569 R CA -0.303 55.871 56.100 0.123 0.000 1.102 569 R CB -0.161 30.257 30.300 0.198 0.000 0.978 569 R HN 0.481 nan 8.270 nan 0.000 0.436 570 I N 4.363 124.934 120.570 0.002 0.000 2.436 570 I HA 0.095 4.258 4.170 -0.013 0.000 0.289 570 I C 0.832 176.837 176.117 -0.187 0.000 1.083 570 I CA 0.592 61.842 61.300 -0.084 0.000 1.372 570 I CB -0.224 37.722 38.000 -0.090 0.000 1.408 570 I HN 0.278 nan 8.210 nan 0.000 0.516 571 H N 4.264 123.238 119.070 -0.159 0.000 2.985 571 H HA 0.281 4.829 4.556 -0.013 0.000 0.360 571 H C 0.314 175.526 175.328 -0.194 0.000 1.221 571 H CA -0.483 55.503 56.048 -0.103 0.000 1.121 571 H CB 2.187 31.796 29.762 -0.256 0.000 1.854 571 H HN 0.505 nan 8.280 nan 0.000 0.551 572 E N 0.740 121.005 120.200 0.107 0.000 2.158 572 E HA -0.138 4.204 4.350 -0.013 0.000 0.191 572 E C 1.332 177.666 176.600 -0.443 0.000 0.982 572 E CA 0.809 57.194 56.400 -0.026 0.000 0.823 572 E CB 0.155 30.031 29.700 0.293 0.000 0.766 572 E HN 0.508 nan 8.360 nan 0.000 0.468 573 Y N 0.632 120.402 120.300 -0.883 0.000 2.457 573 Y HA 0.070 4.613 4.550 -0.013 0.000 0.292 573 Y C 1.532 177.166 175.900 -0.443 0.000 1.125 573 Y CA 0.565 57.984 58.100 -1.136 0.000 1.254 573 Y CB 0.088 37.899 38.460 -1.082 0.000 1.012 573 Y HN -0.227 nan 8.280 nan 0.000 0.555 574 K N 1.034 120.969 120.400 -0.775 0.000 2.366 574 K HA 0.009 4.322 4.320 -0.013 0.000 0.198 574 K C 0.210 176.634 176.600 -0.293 0.000 1.044 574 K CA 0.694 56.641 56.287 -0.566 0.000 0.973 574 K CB -0.167 32.025 32.500 -0.514 0.000 0.767 574 K HN 0.392 nan 8.250 nan 0.000 0.475 575 R N 0.816 121.171 120.500 -0.242 0.000 3.336 575 R HA -0.183 4.149 4.340 -0.013 0.000 0.260 575 R C 0.574 176.793 176.300 -0.136 0.000 1.032 575 R CA 0.182 56.192 56.100 -0.150 0.000 0.693 575 R CB -1.828 28.398 30.300 -0.123 0.000 1.134 575 R HN 0.214 nan 8.270 nan 0.000 0.433 576 Q N 0.114 119.833 119.800 -0.134 0.000 2.291 576 Q HA -0.026 4.306 4.340 -0.013 0.000 0.206 576 Q C 1.820 177.768 176.000 -0.087 0.000 0.976 576 Q CA 1.291 57.029 55.803 -0.110 0.000 0.875 576 Q CB 0.083 28.761 28.738 -0.101 0.000 0.927 576 Q HN 0.597 nan 8.270 nan 0.000 0.450 577 L N -0.668 120.506 121.223 -0.081 0.000 2.093 577 L HA -0.174 4.159 4.340 -0.013 0.000 0.208 577 L C 1.969 178.835 176.870 -0.006 0.000 1.085 577 L CA 0.561 55.368 54.840 -0.055 0.000 0.755 577 L CB -0.323 41.713 42.059 -0.038 0.000 0.904 577 L HN 0.315 nan 8.230 nan 0.000 0.435 578 L N 0.073 121.283 121.223 -0.021 0.000 2.046 578 L HA -0.248 4.085 4.340 -0.013 0.000 0.208 578 L C 2.016 178.912 176.870 0.044 0.000 1.077 578 L CA 1.937 56.774 54.840 -0.005 0.000 0.747 578 L CB -0.860 41.100 42.059 -0.165 0.000 0.896 578 L HN 0.291 nan 8.230 nan 0.000 0.432 579 N N -1.834 116.862 118.700 -0.008 0.000 2.166 579 N HA -0.227 4.506 4.740 -0.013 0.000 0.186 579 N C 1.946 177.533 175.510 0.129 0.000 1.019 579 N CA 1.455 54.574 53.050 0.116 0.000 0.856 579 N CB -0.121 38.376 38.487 0.017 0.000 0.993 579 N HN 0.486 nan 8.380 nan 0.000 0.426 580 C N 0.519 119.836 119.300 0.028 0.000 2.429 580 C HA -0.050 4.403 4.460 -0.013 0.000 0.277 580 C C 2.563 177.559 174.990 0.009 0.000 1.262 580 C CA 0.337 59.330 59.018 -0.041 0.000 1.733 580 C CB -1.196 26.467 27.740 -0.128 0.000 2.010 580 C HN 0.517 nan 8.230 nan 0.000 0.483 581 L N -0.195 121.094 121.223 0.110 0.000 2.079 581 L HA -0.212 4.121 4.340 -0.013 0.000 0.210 581 L C 2.716 179.754 176.870 0.280 0.000 1.081 581 L CA 1.873 56.834 54.840 0.202 0.000 0.752 581 L CB -1.124 41.132 42.059 0.328 0.000 0.896 581 L HN 0.615 nan 8.230 nan 0.000 0.433 582 H N -0.099 119.090 119.070 0.198 0.000 2.357 582 H HA -0.121 4.428 4.556 -0.013 0.000 0.301 582 H C 2.245 177.577 175.328 0.006 0.000 1.082 582 H CA 1.751 57.836 56.048 0.062 0.000 1.342 582 H CB 0.337 30.082 29.762 -0.029 0.000 1.389 582 H HN 0.084 nan 8.280 nan 0.000 0.511 583 V N 1.526 121.366 119.914 -0.124 0.000 2.332 583 V HA -0.273 3.840 4.120 -0.013 0.000 0.248 583 V C 2.835 178.864 176.094 -0.108 0.000 1.055 583 V CA 1.891 64.076 62.300 -0.192 0.000 1.038 583 V CB -0.516 31.245 31.823 -0.103 0.000 0.651 583 V HN 0.384 nan 8.190 nan 0.000 0.450 584 I N -0.363 120.186 120.570 -0.036 0.000 2.286 584 I HA -0.226 3.937 4.170 -0.013 0.000 0.248 584 I C 2.513 178.707 176.117 0.129 0.000 1.115 584 I CA 1.721 63.077 61.300 0.093 0.000 1.392 584 I CB -0.571 37.473 38.000 0.073 0.000 1.065 584 I HN 0.324 nan 8.210 nan 0.000 0.418 585 T N 1.132 115.711 114.554 0.042 0.000 2.684 585 T HA -0.171 4.172 4.350 -0.013 0.000 0.267 585 T C 1.871 176.537 174.700 -0.056 0.000 1.036 585 T CA 1.233 63.347 62.100 0.022 0.000 1.148 585 T CB -0.279 68.618 68.868 0.048 0.000 0.863 585 T HN 0.071 nan 8.240 nan 0.000 0.436 586 L N 0.239 121.354 121.223 -0.181 0.000 2.013 586 L HA -0.090 4.243 4.340 -0.013 0.000 0.212 586 L C 2.124 178.962 176.870 -0.053 0.000 1.073 586 L CA 1.656 56.385 54.840 -0.184 0.000 0.753 586 L CB -1.165 40.715 42.059 -0.299 0.000 0.890 586 L HN 0.346 nan 8.230 nan 0.000 0.432 587 Y N 0.486 120.728 120.300 -0.096 0.000 2.128 587 Y HA -0.279 4.263 4.550 -0.013 0.000 0.284 587 Y C 2.473 178.357 175.900 -0.027 0.000 1.154 587 Y CA 1.947 60.030 58.100 -0.029 0.000 1.149 587 Y CB -0.323 38.171 38.460 0.056 0.000 0.976 587 Y HN 0.290 nan 8.280 nan 0.000 0.505 588 N N 0.316 118.995 118.700 -0.034 0.000 2.223 588 N HA -0.133 4.599 4.740 -0.013 0.000 0.185 588 N C 1.875 177.284 175.510 -0.168 0.000 1.016 588 N CA 1.451 54.411 53.050 -0.150 0.000 0.863 588 N CB -0.321 38.140 38.487 -0.043 0.000 0.983 588 N HN 0.456 nan 8.380 nan 0.000 0.429 589 R N 0.330 120.756 120.500 -0.123 0.000 2.075 589 R HA 0.097 4.430 4.340 -0.013 0.000 0.232 589 R C 2.215 178.432 176.300 -0.138 0.000 1.126 589 R CA 0.698 56.730 56.100 -0.114 0.000 0.963 589 R CB -0.257 29.986 30.300 -0.094 0.000 0.858 589 R HN 0.217 nan 8.270 nan 0.000 0.435 590 I N 1.082 121.551 120.570 -0.168 0.000 2.226 590 I HA -0.266 3.897 4.170 -0.013 0.000 0.245 590 I C 1.990 177.988 176.117 -0.198 0.000 1.100 590 I CA 1.228 62.426 61.300 -0.170 0.000 1.374 590 I CB -0.110 37.791 38.000 -0.166 0.000 1.057 590 I HN 0.018 nan 8.210 nan 0.000 0.413 591 K N 0.665 120.884 120.400 -0.302 0.000 2.362 591 K HA -0.165 4.147 4.320 -0.013 0.000 0.200 591 K C 1.943 178.438 176.600 -0.176 0.000 1.046 591 K CA 0.873 56.990 56.287 -0.283 0.000 0.952 591 K CB -0.153 32.089 32.500 -0.429 0.000 0.753 591 K HN 0.170 nan 8.250 nan 0.000 0.466 592 K N 1.803 122.111 120.400 -0.153 0.000 2.098 592 K HA -0.036 4.276 4.320 -0.013 0.000 0.203 592 K C 0.093 176.645 176.600 -0.081 0.000 1.051 592 K CA 1.077 57.300 56.287 -0.107 0.000 0.957 592 K CB 0.442 32.883 32.500 -0.097 0.000 0.738 592 K HN 0.037 nan 8.250 nan 0.000 0.447 593 E N 0.851 121.003 120.200 -0.080 0.000 3.108 593 E HA 0.184 4.526 4.350 -0.013 0.000 0.228 593 E C -2.361 174.204 176.600 -0.058 0.000 1.176 593 E CA -1.796 54.570 56.400 -0.057 0.000 0.881 593 E CB 1.578 31.251 29.700 -0.044 0.000 1.354 593 E HN 0.078 nan 8.360 nan 0.000 0.400 594 P HA -0.170 nan 4.420 nan 0.000 0.215 594 P C 0.324 177.607 177.300 -0.028 0.000 1.153 594 P CA 1.278 64.346 63.100 -0.053 0.000 0.853 594 P CB 0.141 31.814 31.700 -0.045 0.000 0.788 595 N N -0.946 117.746 118.700 -0.013 0.000 2.322 595 N HA 0.020 4.753 4.740 -0.013 0.000 0.216 595 N C 0.400 175.926 175.510 0.027 0.000 1.144 595 N CA 0.033 53.088 53.050 0.009 0.000 0.830 595 N CB -0.083 38.409 38.487 0.009 0.000 1.034 595 N HN 0.078 nan 8.380 nan 0.000 0.484 596 K N 1.019 121.429 120.400 0.017 0.000 2.138 596 K HA 0.186 4.499 4.320 -0.013 0.000 0.263 596 K C -1.027 175.613 176.600 0.067 0.000 0.965 596 K CA -0.641 55.671 56.287 0.042 0.000 0.868 596 K CB 0.820 33.325 32.500 0.009 0.000 1.083 596 K HN -0.044 nan 8.250 nan 0.000 0.443 597 F N 4.441 124.379 119.950 -0.020 0.000 2.429 597 F HA 0.279 4.799 4.527 -0.013 0.000 0.348 597 F C -0.507 175.280 175.800 -0.021 0.000 1.109 597 F CA -0.077 57.913 58.000 -0.018 0.000 1.232 597 F CB 0.752 39.743 39.000 -0.013 0.000 1.157 597 F HN 0.199 nan 8.300 nan 0.000 0.564 598 V N 3.734 122.998 119.914 -1.083 0.000 2.971 598 V HA 0.495 4.608 4.120 -0.013 0.000 0.309 598 V C -0.833 174.618 176.094 -1.071 0.000 1.130 598 V CA -1.261 60.578 62.300 -0.767 0.000 0.964 598 V CB 0.869 32.463 31.823 -0.381 0.000 1.029 598 V HN 0.603 nan 8.190 nan 0.000 0.427 599 V N 4.569 124.160 119.914 -0.539 0.000 2.493 599 V HA 0.188 4.301 4.120 -0.013 0.000 0.292 599 V C -1.803 174.134 176.094 -0.262 0.000 1.016 599 V CA -0.359 61.774 62.300 -0.280 0.000 1.097 599 V CB 0.415 32.199 31.823 -0.065 0.000 0.947 599 V HN 0.901 nan 8.190 nan 0.000 0.479 600 P HA 0.382 nan 4.420 nan 0.000 0.268 600 P C -0.462 176.761 177.300 -0.129 0.000 1.205 600 P CA -0.146 62.874 63.100 -0.134 0.000 0.771 600 P CB 0.585 32.254 31.700 -0.051 0.000 0.858 601 R N 0.639 121.074 120.500 -0.108 0.000 2.698 601 R HA 0.614 4.946 4.340 -0.013 0.000 0.275 601 R C -0.917 175.352 176.300 -0.052 0.000 1.001 601 R CA -0.602 55.436 56.100 -0.103 0.000 0.896 601 R CB 1.990 32.210 30.300 -0.133 0.000 1.218 601 R HN 0.274 nan 8.270 nan 0.000 0.462 602 T N 1.915 116.455 114.554 -0.024 0.000 2.864 602 T HA 0.223 4.565 4.350 -0.013 0.000 0.310 602 T C -0.882 173.737 174.700 -0.135 0.000 1.040 602 T CA -0.565 61.483 62.100 -0.087 0.000 0.977 602 T CB 1.133 69.906 68.868 -0.158 0.000 0.976 602 T HN 0.353 nan 8.240 nan 0.000 0.459 603 V N 4.892 124.732 119.914 -0.124 0.000 2.383 603 V HA 0.689 4.802 4.120 -0.013 0.000 0.275 603 V C -0.514 175.496 176.094 -0.140 0.000 1.036 603 V CA -0.651 61.578 62.300 -0.118 0.000 0.889 603 V CB 0.679 32.454 31.823 -0.080 0.000 0.985 603 V HN 0.862 nan 8.190 nan 0.000 0.459 604 M N 7.521 127.022 119.600 -0.165 0.000 2.167 604 M HA 0.592 5.065 4.480 -0.013 0.000 0.333 604 M C -0.925 175.258 176.300 -0.195 0.000 1.030 604 M CA -0.202 54.989 55.300 -0.181 0.000 0.963 604 M CB 1.878 34.359 32.600 -0.198 0.000 1.589 604 M HN 0.525 nan 8.290 nan 0.000 0.431 605 I N 2.254 122.699 120.570 -0.207 0.000 2.436 605 I HA 0.780 4.942 4.170 -0.013 0.000 0.289 605 I C 0.163 175.974 176.117 -0.509 0.000 1.010 605 I CA -0.565 60.593 61.300 -0.236 0.000 1.098 605 I CB 2.068 40.022 38.000 -0.076 0.000 1.266 605 I HN 0.803 nan 8.210 nan 0.000 0.434 606 G N 3.225 111.680 108.800 -0.576 0.000 2.696 606 G HA2 0.832 4.784 3.960 -0.013 0.000 0.295 606 G HA3 0.832 4.784 3.960 -0.013 0.000 0.295 606 G C -1.004 173.594 174.900 -0.503 0.000 1.398 606 G CA -0.786 43.809 45.100 -0.841 0.000 0.920 606 G HN 0.945 nan 8.290 nan 0.000 0.492 607 G N -0.347 108.296 108.800 -0.263 0.000 2.347 607 G HA2 0.445 4.397 3.960 -0.013 0.000 0.303 607 G HA3 0.445 4.397 3.960 -0.013 0.000 0.303 607 G C -1.534 173.485 174.900 0.197 0.000 1.481 607 G CA -0.995 44.128 45.100 0.038 0.000 0.914 607 G HN 0.597 nan 8.290 nan 0.000 0.638 608 K N -0.268 120.241 120.400 0.181 0.000 2.123 608 K HA 0.763 5.075 4.320 -0.013 0.000 0.259 608 K C 0.106 176.821 176.600 0.192 0.000 0.960 608 K CA -0.272 56.133 56.287 0.197 0.000 0.872 608 K CB 1.991 34.501 32.500 0.018 0.000 1.079 608 K HN 0.860 nan 8.250 nan 0.000 0.440 609 A N 1.652 124.627 122.820 0.258 0.000 2.317 609 A HA 0.666 4.978 4.320 -0.013 0.000 0.327 609 A C -0.508 177.243 177.584 0.279 0.000 1.178 609 A CA -0.719 51.411 52.037 0.154 0.000 0.817 609 A CB 1.087 20.112 19.000 0.042 0.000 1.189 609 A HN 0.786 nan 8.150 nan 0.000 0.489 610 A N 3.645 126.601 122.820 0.227 0.000 2.531 610 A HA 0.469 4.782 4.320 -0.013 0.000 0.236 610 A C -1.380 176.278 177.584 0.125 0.000 1.062 610 A CA -0.749 51.430 52.037 0.236 0.000 0.760 610 A CB -0.351 18.746 19.000 0.163 0.000 0.995 610 A HN 0.602 nan 8.150 nan 0.000 0.501 611 P HA -0.134 nan 4.420 nan 0.000 0.217 611 P C 1.308 178.595 177.300 -0.022 0.000 1.148 611 P CA 1.992 65.028 63.100 -0.106 0.000 0.828 611 P CB 0.185 31.762 31.700 -0.205 0.000 0.783 612 G N -3.177 105.632 108.800 0.015 0.000 3.088 612 G HA2 -0.105 3.848 3.960 -0.013 0.000 0.217 612 G HA3 -0.105 3.848 3.960 -0.013 0.000 0.217 612 G C -0.170 174.768 174.900 0.063 0.000 1.159 612 G CA -0.007 45.106 45.100 0.023 0.000 0.760 612 G HN 0.163 nan 8.290 nan 0.000 0.550 613 Y N 2.336 122.578 120.300 -0.096 0.000 2.627 613 Y HA 0.195 4.737 4.550 -0.013 0.000 0.347 613 Y C 1.472 177.361 175.900 -0.019 0.000 1.099 613 Y CA -1.817 56.213 58.100 -0.117 0.000 1.408 613 Y CB -0.649 37.704 38.460 -0.180 0.000 1.247 613 Y HN 0.374 nan 8.280 nan 0.000 0.506 614 H N 3.694 122.875 119.070 0.184 0.000 2.289 614 H HA -0.218 4.330 4.556 -0.012 0.000 0.296 614 H C 1.698 177.043 175.328 0.029 0.000 1.091 614 H CA 2.274 58.374 56.048 0.086 0.000 1.274 614 H CB 0.398 30.209 29.762 0.081 0.000 1.364 614 H HN 0.605 nan 8.280 nan 0.000 0.490 615 M N 1.177 120.734 119.600 -0.071 0.000 2.065 615 M HA -0.114 4.359 4.480 -0.013 0.000 0.259 615 M C 2.660 178.692 176.300 -0.447 0.000 1.069 615 M CA 1.968 57.129 55.300 -0.233 0.000 1.110 615 M CB -1.084 31.512 32.600 -0.008 0.000 1.328 615 M HN 0.363 nan 8.290 nan 0.000 0.405 616 A N -0.463 121.828 122.820 -0.881 0.000 1.948 616 A HA -0.239 4.073 4.320 -0.013 0.000 0.220 616 A C 2.207 179.582 177.584 -0.348 0.000 1.177 616 A CA 2.132 53.716 52.037 -0.755 0.000 0.636 616 A CB -0.739 17.636 19.000 -1.042 0.000 0.815 616 A HN 0.624 nan 8.150 nan 0.000 0.449 617 K N -1.432 118.823 120.400 -0.242 0.000 2.217 617 K HA 0.024 4.336 4.320 -0.013 0.000 0.202 617 K C 1.837 178.404 176.600 -0.055 0.000 1.051 617 K CA 0.947 57.186 56.287 -0.079 0.000 0.952 617 K CB -0.150 32.367 32.500 0.027 0.000 0.736 617 K HN 0.329 nan 8.250 nan 0.000 0.453 618 M N 0.533 120.047 119.600 -0.143 0.000 2.200 618 M HA -0.038 4.435 4.480 -0.013 0.000 0.265 618 M C 2.025 178.266 176.300 -0.098 0.000 1.066 618 M CA 1.343 56.596 55.300 -0.078 0.000 1.127 618 M CB -0.464 32.044 32.600 -0.153 0.000 1.379 618 M HN 0.103 nan 8.290 nan 0.000 0.420 619 I N -0.435 120.034 120.570 -0.168 0.000 2.315 619 I HA -0.287 3.876 4.170 -0.013 0.000 0.248 619 I C 2.248 178.228 176.117 -0.228 0.000 1.117 619 I CA 0.959 62.147 61.300 -0.187 0.000 1.404 619 I CB -0.270 37.617 38.000 -0.188 0.000 1.071 619 I HN 0.160 nan 8.210 nan 0.000 0.419 620 I N 0.722 121.139 120.570 -0.256 0.000 2.286 620 I HA -0.293 3.869 4.170 -0.013 0.000 0.248 620 I C 2.535 178.354 176.117 -0.497 0.000 1.115 620 I CA 1.202 62.248 61.300 -0.422 0.000 1.392 620 I CB -0.216 37.530 38.000 -0.423 0.000 1.065 620 I HN 0.152 nan 8.210 nan 0.000 0.418 621 K N 1.334 121.470 120.400 -0.440 0.000 2.211 621 K HA -0.109 4.204 4.320 -0.013 0.000 0.203 621 K C 1.949 178.384 176.600 -0.276 0.000 1.050 621 K CA 1.291 57.233 56.287 -0.575 0.000 0.945 621 K CB -0.363 31.518 32.500 -1.033 0.000 0.732 621 K HN 0.241 nan 8.250 nan 0.000 0.451 622 L N 0.256 121.333 121.223 -0.243 0.000 2.044 622 L HA -0.086 4.246 4.340 -0.013 0.000 0.205 622 L C 2.082 178.703 176.870 -0.415 0.000 1.075 622 L CA 1.439 55.979 54.840 -0.500 0.000 0.747 622 L CB -0.273 41.423 42.059 -0.605 0.000 0.903 622 L HN 0.214 nan 8.230 nan 0.000 0.435 623 I N 0.070 120.446 120.570 -0.324 0.000 2.163 623 I HA -0.355 3.808 4.170 -0.013 0.000 0.243 623 I C 2.611 178.601 176.117 -0.211 0.000 1.085 623 I CA 2.033 63.192 61.300 -0.234 0.000 1.347 623 I CB -0.689 37.246 38.000 -0.108 0.000 1.044 623 I HN 0.423 nan 8.210 nan 0.000 0.408 624 T N -0.837 113.561 114.554 -0.260 0.000 2.867 624 T HA -0.056 4.287 4.350 -0.013 0.000 0.268 624 T C 1.960 176.575 174.700 -0.142 0.000 1.057 624 T CA 0.919 62.902 62.100 -0.195 0.000 1.136 624 T CB -0.440 68.270 68.868 -0.263 0.000 0.874 624 T HN 0.358 nan 8.240 nan 0.000 0.466 625 A N 1.443 124.170 122.820 -0.154 0.000 1.930 625 A HA 0.156 4.469 4.320 -0.013 0.000 0.217 625 A C 2.338 179.898 177.584 -0.041 0.000 1.175 625 A CA 1.213 53.222 52.037 -0.047 0.000 0.627 625 A CB -0.786 18.257 19.000 0.072 0.000 0.815 625 A HN 0.567 nan 8.150 nan 0.000 0.443 626 I N -0.232 120.207 120.570 -0.218 0.000 2.226 626 I HA -0.182 3.981 4.170 -0.013 0.000 0.245 626 I C 2.684 178.734 176.117 -0.113 0.000 1.100 626 I CA 1.191 62.341 61.300 -0.250 0.000 1.374 626 I CB -0.500 37.244 38.000 -0.428 0.000 1.057 626 I HN 0.376 nan 8.210 nan 0.000 0.413 627 G N 0.162 108.891 108.800 -0.118 0.000 2.422 627 G HA2 -0.245 3.707 3.960 -0.013 0.000 0.218 627 G HA3 -0.245 3.707 3.960 -0.013 0.000 0.218 627 G C 1.278 176.127 174.900 -0.085 0.000 1.146 627 G CA 0.888 45.925 45.100 -0.105 0.000 0.769 627 G HN 0.276 nan 8.290 nan 0.000 0.547 628 D N 0.140 120.536 120.400 -0.008 0.000 2.123 628 D HA -0.091 4.542 4.640 -0.013 0.000 0.196 628 D C 2.740 179.118 176.300 0.130 0.000 0.992 628 D CA 0.787 54.853 54.000 0.111 0.000 0.833 628 D CB -0.285 40.562 40.800 0.077 0.000 0.954 628 D HN 0.235 nan 8.370 nan 0.000 0.455 629 V N 0.370 120.289 119.914 0.008 0.000 2.273 629 V HA -0.158 3.954 4.120 -0.013 0.000 0.242 629 V C 2.661 178.684 176.094 -0.119 0.000 1.035 629 V CA 0.867 63.117 62.300 -0.084 0.000 1.013 629 V CB -0.450 31.248 31.823 -0.208 0.000 0.652 629 V HN 0.023 nan 8.190 nan 0.000 0.452 630 V N 1.003 120.786 119.914 -0.218 0.000 2.287 630 V HA -0.242 3.870 4.120 -0.013 0.000 0.248 630 V C 2.131 178.171 176.094 -0.091 0.000 1.053 630 V CA 2.162 64.346 62.300 -0.192 0.000 1.027 630 V CB -0.918 30.790 31.823 -0.192 0.000 0.646 630 V HN 0.578 nan 8.190 nan 0.000 0.447 631 N N -0.497 118.074 118.700 -0.215 0.000 2.550 631 N HA -0.077 4.655 4.740 -0.013 0.000 0.186 631 N C 1.075 176.293 175.510 -0.487 0.000 1.110 631 N CA 0.853 53.688 53.050 -0.358 0.000 0.912 631 N CB -0.279 37.914 38.487 -0.491 0.000 0.968 631 N HN 0.707 nan 8.380 nan 0.000 0.448 632 H N -1.666 117.415 119.070 0.018 0.000 2.662 632 H HA 0.212 4.761 4.556 -0.012 0.000 0.268 632 H C -0.632 174.721 175.328 0.042 0.000 1.152 632 H CA -0.492 55.569 56.048 0.022 0.000 1.072 632 H CB 0.721 30.483 29.762 0.001 0.000 1.660 632 H HN -0.042 nan 8.280 nan 0.000 0.584 633 D N 1.637 122.119 120.400 0.136 0.000 2.347 633 D HA 0.067 4.700 4.640 -0.013 0.000 0.235 633 D C -1.658 174.707 176.300 0.109 0.000 1.149 633 D CA -2.145 51.949 54.000 0.157 0.000 0.850 633 D CB 1.779 42.748 40.800 0.282 0.000 1.061 633 D HN 0.103 nan 8.370 nan 0.000 0.487 634 P HA -0.123 nan 4.420 nan 0.000 0.218 634 P C 1.597 178.923 177.300 0.043 0.000 1.148 634 P CA 0.386 63.521 63.100 0.058 0.000 0.822 634 P CB 0.453 32.181 31.700 0.048 0.000 0.784 635 V N -0.543 119.395 119.914 0.039 0.000 2.490 635 V HA -0.170 3.942 4.120 -0.013 0.000 0.250 635 V C 2.442 178.540 176.094 0.006 0.000 1.061 635 V CA 1.522 63.829 62.300 0.012 0.000 1.064 635 V CB -0.994 30.822 31.823 -0.012 0.000 0.670 635 V HN -0.018 nan 8.190 nan 0.000 0.461 636 V N -0.235 119.699 119.914 0.033 0.000 2.427 636 V HA 0.078 4.190 4.120 -0.013 0.000 0.248 636 V C 1.798 177.904 176.094 0.021 0.000 1.051 636 V CA 1.483 63.802 62.300 0.032 0.000 1.048 636 V CB -1.196 30.691 31.823 0.106 0.000 0.666 636 V HN 0.742 nan 8.190 nan 0.000 0.456 637 G N 1.478 110.298 108.800 0.032 0.000 2.583 637 G HA2 -0.413 3.539 3.960 -0.013 0.000 0.292 637 G HA3 -0.413 3.539 3.960 -0.013 0.000 0.292 637 G C 0.287 175.204 174.900 0.029 0.000 1.203 637 G CA 0.640 45.757 45.100 0.030 0.000 0.987 637 G HN 0.729 nan 8.290 nan 0.000 0.554 638 D N -0.134 120.284 120.400 0.030 0.000 2.368 638 D HA 0.314 4.947 4.640 -0.013 0.000 0.218 638 D C 1.889 178.195 176.300 0.009 0.000 1.112 638 D CA 0.267 54.288 54.000 0.035 0.000 0.834 638 D CB 0.114 40.951 40.800 0.061 0.000 0.953 638 D HN 0.576 nan 8.370 nan 0.000 0.505 639 R N -0.581 119.910 120.500 -0.015 0.000 2.193 639 R HA 0.256 4.589 4.340 -0.013 0.000 0.213 639 R C -0.171 176.091 176.300 -0.062 0.000 1.055 639 R CA 0.357 56.421 56.100 -0.059 0.000 0.995 639 R CB 0.141 30.383 30.300 -0.096 0.000 0.893 639 R HN 0.174 nan 8.270 nan 0.000 0.459 640 L N 0.684 121.888 121.223 -0.032 0.000 2.580 640 L HA 0.373 4.706 4.340 -0.013 0.000 0.266 640 L C -1.621 175.231 176.870 -0.030 0.000 0.955 640 L CA -0.512 54.308 54.840 -0.034 0.000 0.886 640 L CB 1.648 43.699 42.059 -0.015 0.000 1.263 640 L HN -0.131 nan 8.230 nan 0.000 0.406 641 R N 4.157 124.626 120.500 -0.053 0.000 2.621 641 R HA 0.746 5.079 4.340 -0.013 0.000 0.292 641 R C -1.482 174.765 176.300 -0.090 0.000 0.969 641 R CA -0.840 55.217 56.100 -0.072 0.000 0.887 641 R CB 2.357 32.615 30.300 -0.070 0.000 1.180 641 R HN 0.386 nan 8.270 nan 0.000 0.450 642 V N 4.956 124.811 119.914 -0.097 0.000 2.350 642 V HA 0.459 4.572 4.120 -0.013 0.000 0.285 642 V C -0.089 175.957 176.094 -0.080 0.000 1.014 642 V CA -0.610 61.634 62.300 -0.095 0.000 0.831 642 V CB 1.424 33.185 31.823 -0.103 0.000 1.000 642 V HN 0.581 nan 8.190 nan 0.000 0.433 643 I N 4.833 125.356 120.570 -0.079 0.000 2.465 643 I HA 0.445 4.607 4.170 -0.013 0.000 0.291 643 I C -0.814 175.283 176.117 -0.033 0.000 1.014 643 I CA -0.461 60.804 61.300 -0.058 0.000 1.093 643 I CB 2.052 39.992 38.000 -0.100 0.000 1.267 643 I HN 0.556 nan 8.210 nan 0.000 0.431 644 F N 7.796 127.676 119.950 -0.117 0.000 2.371 644 F HA 0.430 4.949 4.527 -0.012 0.000 0.363 644 F C -0.639 175.088 175.800 -0.121 0.000 1.122 644 F CA -0.700 57.231 58.000 -0.115 0.000 1.129 644 F CB 0.552 39.489 39.000 -0.104 0.000 1.173 644 F HN 0.138 nan 8.300 nan 0.000 0.489 645 L N 5.874 126.695 121.223 -0.669 0.000 2.456 645 L HA 0.128 4.461 4.340 -0.013 0.000 0.277 645 L C 0.410 176.952 176.870 -0.547 0.000 1.124 645 L CA 0.213 54.762 54.840 -0.485 0.000 0.880 645 L CB -0.055 41.804 42.059 -0.334 0.000 1.192 645 L HN 0.613 nan 8.230 nan 0.000 0.463 646 E N 3.083 123.085 120.200 -0.330 0.000 2.373 646 E HA -0.005 4.338 4.350 -0.013 0.000 0.267 646 E C 0.474 177.090 176.600 0.025 0.000 1.032 646 E CA -0.275 56.081 56.400 -0.074 0.000 0.889 646 E CB 0.331 29.995 29.700 -0.061 0.000 0.984 646 E HN 0.526 nan 8.360 nan 0.000 0.425 647 N N 2.399 121.189 118.700 0.150 0.000 2.705 647 N HA -0.287 4.446 4.740 -0.013 0.000 0.255 647 N C -1.506 174.085 175.510 0.135 0.000 1.008 647 N CA 0.519 53.665 53.050 0.159 0.000 0.742 647 N CB -1.327 37.282 38.487 0.202 0.000 0.906 647 N HN 0.428 nan 8.380 nan 0.000 0.541 648 Y N 1.461 121.744 120.300 -0.027 0.000 2.717 648 Y HA 0.182 4.725 4.550 -0.013 0.000 0.330 648 Y C 1.096 176.998 175.900 0.003 0.000 1.217 648 Y CA 0.436 58.509 58.100 -0.045 0.000 1.506 648 Y CB 0.327 38.729 38.460 -0.097 0.000 1.268 648 Y HN 0.388 nan 8.280 nan 0.000 0.561 649 R N 2.474 122.651 120.500 -0.538 0.000 2.762 649 R HA 0.453 4.786 4.340 -0.013 0.000 0.271 649 R C -0.278 175.689 176.300 -0.554 0.000 1.038 649 R CA -0.619 55.218 56.100 -0.438 0.000 0.906 649 R CB 0.337 30.576 30.300 -0.102 0.000 1.259 649 R HN 0.359 nan 8.270 nan 0.000 0.457 650 V N 1.097 120.705 119.914 -0.511 0.000 2.250 650 V HA -0.328 3.784 4.120 -0.013 0.000 0.250 650 V C 2.577 178.547 176.094 -0.208 0.000 1.060 650 V CA 2.978 65.053 62.300 -0.376 0.000 1.030 650 V CB -0.885 30.682 31.823 -0.425 0.000 0.643 650 V HN 0.952 nan 8.190 nan 0.000 0.445 651 S N 0.024 115.623 115.700 -0.169 0.000 2.399 651 S HA -0.188 4.274 4.470 -0.013 0.000 0.231 651 S C 1.906 176.459 174.600 -0.079 0.000 1.022 651 S CA 1.762 59.896 58.200 -0.111 0.000 0.983 651 S CB -0.535 62.630 63.200 -0.058 0.000 0.803 651 S HN 0.401 nan 8.310 nan 0.000 0.480 652 L N 1.918 123.097 121.223 -0.072 0.000 2.179 652 L HA 0.379 4.711 4.340 -0.013 0.000 0.208 652 L C 2.607 179.467 176.870 -0.017 0.000 1.096 652 L CA 1.324 56.155 54.840 -0.015 0.000 0.779 652 L CB -1.367 40.737 42.059 0.075 0.000 0.922 652 L HN 0.336 nan 8.230 nan 0.000 0.443 653 A N -0.644 122.147 122.820 -0.048 0.000 1.933 653 A HA -0.208 4.104 4.320 -0.013 0.000 0.218 653 A C 2.089 179.707 177.584 0.057 0.000 1.175 653 A CA 1.679 53.757 52.037 0.069 0.000 0.628 653 A CB -0.586 18.429 19.000 0.026 0.000 0.814 653 A HN 0.604 nan 8.150 nan 0.000 0.444 654 E N -0.523 119.704 120.200 0.044 0.000 2.409 654 E HA -0.135 4.207 4.350 -0.013 0.000 0.198 654 E C 1.692 178.250 176.600 -0.069 0.000 1.024 654 E CA 0.974 57.373 56.400 -0.002 0.000 0.861 654 E CB -0.020 29.599 29.700 -0.135 0.000 0.788 654 E HN 0.623 nan 8.360 nan 0.000 0.521 655 K N -0.166 120.164 120.400 -0.117 0.000 2.214 655 K HA -0.005 4.308 4.320 -0.013 0.000 0.201 655 K C 2.144 178.504 176.600 -0.399 0.000 1.049 655 K CA 0.694 56.882 56.287 -0.165 0.000 0.978 655 K CB 0.463 32.869 32.500 -0.157 0.000 0.842 655 K HN -0.021 nan 8.250 nan 0.000 0.474 656 V N 0.594 120.180 119.914 -0.547 0.000 2.346 656 V HA -0.137 3.975 4.120 -0.013 0.000 0.244 656 V C 2.164 177.988 176.094 -0.449 0.000 1.037 656 V CA 1.142 62.950 62.300 -0.820 0.000 1.029 656 V CB -0.751 30.715 31.823 -0.595 0.000 0.663 656 V HN 0.163 nan 8.190 nan 0.000 0.454 657 I N 1.060 121.391 120.570 -0.398 0.000 2.151 657 I HA -0.171 3.991 4.170 -0.013 0.000 0.243 657 I C -0.100 175.857 176.117 -0.266 0.000 1.080 657 I CA 1.986 62.959 61.300 -0.545 0.000 1.339 657 I CB -1.674 35.916 38.000 -0.683 0.000 1.039 657 I HN 0.372 nan 8.210 nan 0.000 0.409 658 P HA -0.075 nan 4.420 nan 0.000 0.226 658 P C 0.794 178.080 177.300 -0.023 0.000 1.153 658 P CA 1.138 64.198 63.100 -0.065 0.000 0.777 658 P CB 0.048 31.723 31.700 -0.041 0.000 0.794 659 A N -1.306 121.486 122.820 -0.047 0.000 2.387 659 A HA 0.553 4.866 4.320 -0.013 0.000 0.234 659 A C 1.066 178.759 177.584 0.182 0.000 1.253 659 A CA -0.041 52.033 52.037 0.062 0.000 0.894 659 A CB -0.504 18.552 19.000 0.094 0.000 0.963 659 A HN 0.186 nan 8.150 nan 0.000 0.508 660 A N -0.311 122.601 122.820 0.153 0.000 2.316 660 A HA 0.528 4.841 4.320 -0.013 0.000 0.284 660 A C 0.302 178.036 177.584 0.251 0.000 1.115 660 A CA -0.246 51.952 52.037 0.268 0.000 0.812 660 A CB 0.460 19.720 19.000 0.433 0.000 1.064 660 A HN 0.237 nan 8.150 nan 0.000 0.489 661 D N 0.335 120.879 120.400 0.242 0.000 2.615 661 D HA 0.138 4.771 4.640 -0.013 0.000 0.259 661 D C 0.016 176.501 176.300 0.310 0.000 0.999 661 D CA 0.683 54.858 54.000 0.292 0.000 0.938 661 D CB 0.259 41.143 40.800 0.141 0.000 1.121 661 D HN 0.355 nan 8.370 nan 0.000 0.487 662 L N 1.268 122.570 121.223 0.132 0.000 2.333 662 L HA 0.304 4.637 4.340 -0.013 0.000 0.280 662 L C -0.626 176.123 176.870 -0.203 0.000 1.004 662 L CA -0.284 54.558 54.840 0.002 0.000 0.820 662 L CB 1.986 44.014 42.059 -0.051 0.000 1.247 662 L HN -0.133 nan 8.230 nan 0.000 0.416 663 S N 4.306 119.789 115.700 -0.363 0.000 2.442 663 S HA 0.363 4.826 4.470 -0.013 0.000 0.297 663 S C -0.495 173.809 174.600 -0.493 0.000 1.131 663 S CA -0.688 57.025 58.200 -0.812 0.000 1.092 663 S CB 0.921 63.526 63.200 -0.992 0.000 0.998 663 S HN 0.567 nan 8.310 nan 0.000 0.478 664 E N 3.950 123.873 120.200 -0.462 0.000 2.081 664 E HA 0.237 4.580 4.350 -0.013 0.000 0.281 664 E C -0.642 175.837 176.600 -0.202 0.000 0.986 664 E CA -0.523 55.739 56.400 -0.231 0.000 0.796 664 E CB 1.180 30.780 29.700 -0.167 0.000 1.085 664 E HN 0.599 nan 8.360 nan 0.000 0.398 665 Q N 2.861 122.597 119.800 -0.107 0.000 2.965 665 Q HA 0.260 4.592 4.340 -0.013 0.000 0.288 665 Q C 0.554 176.534 176.000 -0.033 0.000 0.974 665 Q CA -0.135 55.620 55.803 -0.081 0.000 0.849 665 Q CB 0.286 28.988 28.738 -0.059 0.000 1.280 665 Q HN 0.622 nan 8.270 nan 0.000 0.441 666 I N -1.320 119.221 120.570 -0.048 0.000 3.626 666 I HA 0.290 4.453 4.170 -0.013 0.000 0.345 666 I C 0.160 176.222 176.117 -0.091 0.000 1.502 666 I CA -0.546 60.734 61.300 -0.035 0.000 1.135 666 I CB 0.120 38.107 38.000 -0.022 0.000 1.456 666 I HN -0.033 nan 8.210 nan 0.000 0.460 667 S N 0.510 116.158 115.700 -0.087 0.000 2.614 667 S HA 0.310 4.772 4.470 -0.013 0.000 0.265 667 S C 0.511 175.092 174.600 -0.031 0.000 1.303 667 S CA -0.404 57.763 58.200 -0.055 0.000 1.000 667 S CB 0.812 64.028 63.200 0.027 0.000 0.935 667 S HN 0.413 nan 8.310 nan 0.000 0.551 668 T N 2.337 116.910 114.554 0.030 0.000 2.834 668 T HA 0.433 4.775 4.350 -0.013 0.000 0.298 668 T C 0.663 175.375 174.700 0.021 0.000 0.966 668 T CA 0.086 62.211 62.100 0.042 0.000 1.141 668 T CB 0.107 69.073 68.868 0.163 0.000 0.905 668 T HN 0.960 nan 8.240 nan 0.000 0.535 669 A N 2.817 125.617 122.820 -0.032 0.000 2.591 669 A HA 0.425 4.737 4.320 -0.013 0.000 0.244 669 A C 1.651 179.228 177.584 -0.012 0.000 1.031 669 A CA 0.392 52.405 52.037 -0.039 0.000 0.767 669 A CB -0.945 18.020 19.000 -0.058 0.000 0.942 669 A HN 1.689 nan 8.150 nan 0.000 0.514 670 G N 1.446 110.238 108.800 -0.013 0.000 2.175 670 G HA2 -0.243 3.709 3.960 -0.013 0.000 0.244 670 G HA3 -0.243 3.709 3.960 -0.013 0.000 0.244 670 G C 0.909 175.798 174.900 -0.019 0.000 0.982 670 G CA 1.132 46.225 45.100 -0.011 0.000 0.641 670 G HN 2.054 nan 8.290 nan 0.000 0.527 671 T N -2.467 112.075 114.554 -0.020 0.000 3.018 671 T HA 0.400 4.742 4.350 -0.013 0.000 0.246 671 T C 0.767 175.321 174.700 -0.245 0.000 1.026 671 T CA 1.100 63.126 62.100 -0.123 0.000 1.081 671 T CB 0.546 69.382 68.868 -0.053 0.000 0.970 671 T HN 0.299 nan 8.240 nan 0.000 0.475 672 E N 1.457 121.637 120.200 -0.033 0.000 2.001 672 E HA 0.667 5.009 4.350 -0.013 0.000 0.279 672 E C 1.251 177.809 176.600 -0.071 0.000 1.045 672 E CA 0.085 56.509 56.400 0.040 0.000 0.833 672 E CB 0.677 30.463 29.700 0.143 0.000 1.077 672 E HN 0.337 nan 8.360 nan 0.000 0.397 673 A N 3.469 126.172 122.820 -0.195 0.000 1.929 673 A HA -0.289 4.024 4.320 -0.013 0.000 0.221 673 A C 1.980 179.453 177.584 -0.185 0.000 1.211 673 A CA 2.551 54.349 52.037 -0.398 0.000 0.657 673 A CB -0.369 18.243 19.000 -0.647 0.000 0.827 673 A HN 0.638 nan 8.150 nan 0.000 0.462 674 S N -4.474 111.174 115.700 -0.085 0.000 4.428 674 S HA 0.446 4.909 4.470 -0.013 0.000 0.199 674 S C 0.681 175.274 174.600 -0.012 0.000 1.156 674 S CA 1.345 59.534 58.200 -0.018 0.000 1.134 674 S CB -0.196 63.017 63.200 0.021 0.000 1.531 674 S HN 2.408 nan 8.310 nan 0.000 0.551 675 G N 0.184 108.982 108.800 -0.002 0.000 2.705 675 G HA2 0.018 3.970 3.960 -0.013 0.000 0.686 675 G HA3 0.018 3.970 3.960 -0.013 0.000 0.686 675 G C 0.214 175.098 174.900 -0.028 0.000 1.285 675 G CA 0.449 45.543 45.100 -0.009 0.000 0.800 675 G HN 1.407 nan 8.290 nan 0.000 0.611 676 T N -2.203 112.321 114.554 -0.050 0.000 3.029 676 T HA 0.375 4.718 4.350 -0.013 0.000 0.256 676 T C 2.330 176.937 174.700 -0.154 0.000 0.914 676 T CA 1.226 63.270 62.100 -0.094 0.000 0.880 676 T CB 0.285 69.095 68.868 -0.098 0.000 1.246 676 T HN 1.872 nan 8.240 nan 0.000 0.523 677 G N 3.194 111.930 108.800 -0.106 0.000 2.422 677 G HA2 -0.251 3.701 3.960 -0.013 0.000 0.218 677 G HA3 -0.251 3.701 3.960 -0.013 0.000 0.218 677 G C 1.452 176.401 174.900 0.082 0.000 1.146 677 G CA 1.180 46.238 45.100 -0.069 0.000 0.769 677 G HN 0.806 nan 8.290 nan 0.000 0.547 678 N N 0.322 119.046 118.700 0.041 0.000 2.061 678 N HA -0.187 4.545 4.740 -0.013 0.000 0.193 678 N C 2.240 177.754 175.510 0.007 0.000 1.030 678 N CA 1.505 54.577 53.050 0.036 0.000 0.856 678 N CB -0.399 38.062 38.487 -0.043 0.000 1.023 678 N HN 0.344 nan 8.380 nan 0.000 0.424 679 M N 0.856 120.392 119.600 -0.107 0.000 2.117 679 M HA -0.062 4.410 4.480 -0.013 0.000 0.262 679 M C 2.096 178.350 176.300 -0.077 0.000 1.065 679 M CA 1.546 56.763 55.300 -0.137 0.000 1.114 679 M CB -0.172 32.342 32.600 -0.143 0.000 1.361 679 M HN 0.099 nan 8.290 nan 0.000 0.408 680 K N 0.008 120.301 120.400 -0.178 0.000 2.063 680 K HA -0.140 4.173 4.320 -0.013 0.000 0.208 680 K C 1.679 178.171 176.600 -0.180 0.000 1.048 680 K CA 1.495 57.607 56.287 -0.292 0.000 0.928 680 K CB -0.270 31.846 32.500 -0.640 0.000 0.713 680 K HN 0.177 nan 8.250 nan 0.000 0.442 681 F N 0.745 120.619 119.950 -0.127 0.000 2.206 681 F HA -0.081 4.438 4.527 -0.013 0.000 0.298 681 F C 2.500 178.268 175.800 -0.054 0.000 1.090 681 F CA 1.016 58.966 58.000 -0.083 0.000 1.323 681 F CB -0.216 38.725 39.000 -0.099 0.000 1.028 681 F HN -0.001 nan 8.300 nan 0.000 0.492 682 M N -0.341 119.341 119.600 0.137 0.000 2.159 682 M HA -0.180 4.292 4.480 -0.013 0.000 0.263 682 M C 1.999 178.352 176.300 0.088 0.000 1.063 682 M CA 1.608 56.959 55.300 0.085 0.000 1.110 682 M CB -0.175 32.471 32.600 0.077 0.000 1.374 682 M HN 0.284 nan 8.290 nan 0.000 0.411 683 L N 0.398 121.672 121.223 0.085 0.000 2.478 683 L HA 0.020 4.353 4.340 -0.013 0.000 0.223 683 L C 1.135 178.048 176.870 0.071 0.000 1.140 683 L CA 1.267 56.162 54.840 0.092 0.000 0.842 683 L CB -0.387 41.738 42.059 0.110 0.000 0.953 683 L HN 0.294 nan 8.230 nan 0.000 0.452 684 N N 0.117 118.849 118.700 0.053 0.000 2.251 684 N HA 0.187 4.920 4.740 -0.013 0.000 0.217 684 N C 0.794 176.335 175.510 0.052 0.000 1.124 684 N CA 0.771 53.845 53.050 0.039 0.000 0.843 684 N CB 0.620 39.104 38.487 -0.006 0.000 1.024 684 N HN 0.386 nan 8.380 nan 0.000 0.501 685 G N 0.523 109.361 108.800 0.063 0.000 2.171 685 G HA2 -0.185 3.767 3.960 -0.013 0.000 0.238 685 G HA3 -0.185 3.767 3.960 -0.013 0.000 0.238 685 G C -0.055 174.912 174.900 0.112 0.000 1.039 685 G CA 0.172 45.313 45.100 0.068 0.000 0.759 685 G HN 0.523 nan 8.290 nan 0.000 0.501 686 A N -0.666 122.227 122.820 0.122 0.000 2.337 686 A HA 0.908 5.221 4.320 -0.013 0.000 0.331 686 A C -0.291 177.302 177.584 0.014 0.000 1.137 686 A CA -0.713 51.417 52.037 0.154 0.000 0.807 686 A CB 1.501 20.665 19.000 0.274 0.000 1.250 686 A HN 0.782 nan 8.150 nan 0.000 0.468 687 L N 0.735 121.938 121.223 -0.033 0.000 2.343 687 L HA 0.569 4.902 4.340 -0.013 0.000 0.275 687 L C 0.441 177.183 176.870 -0.212 0.000 1.056 687 L CA 0.430 55.148 54.840 -0.203 0.000 0.804 687 L CB 1.677 43.531 42.059 -0.341 0.000 1.203 687 L HN 0.738 nan 8.230 nan 0.000 0.440 688 T N 4.171 118.470 114.554 -0.426 0.000 2.771 688 T HA 0.514 4.857 4.350 -0.013 0.000 0.281 688 T C -0.246 174.322 174.700 -0.221 0.000 0.982 688 T CA -0.163 61.664 62.100 -0.455 0.000 0.978 688 T CB 0.856 69.257 68.868 -0.779 0.000 0.930 688 T HN 0.443 nan 8.240 nan 0.000 0.447 689 I N 3.058 123.597 120.570 -0.052 0.000 2.355 689 I HA 0.715 4.878 4.170 -0.013 0.000 0.288 689 I C 0.113 176.384 176.117 0.256 0.000 0.999 689 I CA 0.090 61.481 61.300 0.152 0.000 1.163 689 I CB 0.240 38.255 38.000 0.024 0.000 1.316 689 I HN 0.791 nan 8.210 nan 0.000 0.454 690 G N 4.005 113.033 108.800 0.381 0.000 2.548 690 G HA2 0.453 4.406 3.960 -0.013 0.000 0.301 690 G HA3 0.453 4.406 3.960 -0.013 0.000 0.301 690 G C -0.949 173.882 174.900 -0.116 0.000 1.349 690 G CA -0.257 44.980 45.100 0.228 0.000 0.792 690 G HN 0.574 nan 8.290 nan 0.000 0.481 691 T N -1.789 112.575 114.554 -0.317 0.000 2.927 691 T HA 0.546 4.888 4.350 -0.013 0.000 0.281 691 T C 0.614 175.202 174.700 -0.187 0.000 0.998 691 T CA -0.708 61.132 62.100 -0.434 0.000 1.019 691 T CB 1.287 69.891 68.868 -0.440 0.000 1.061 691 T HN 0.259 nan 8.240 nan 0.000 0.518 692 M N 2.998 122.496 119.600 -0.169 0.000 3.442 692 M HA 0.330 4.802 4.480 -0.013 0.000 0.232 692 M C -0.470 175.777 176.300 -0.088 0.000 1.508 692 M CA -0.043 55.192 55.300 -0.109 0.000 1.647 692 M CB -1.823 30.721 32.600 -0.094 0.000 1.126 692 M HN 0.733 nan 8.290 nan 0.000 0.557 693 D N -0.009 120.346 120.400 -0.075 0.000 2.671 693 D HA 0.671 5.303 4.640 -0.013 0.000 0.232 693 D C 0.714 176.994 176.300 -0.034 0.000 1.114 693 D CA 0.715 54.685 54.000 -0.049 0.000 0.858 693 D CB 1.735 42.507 40.800 -0.046 0.000 1.544 693 D HN 0.604 nan 8.370 nan 0.000 0.471 694 G N 1.870 110.660 108.800 -0.017 0.000 2.614 694 G HA2 -0.263 3.690 3.960 -0.013 0.000 0.303 694 G HA3 -0.263 3.690 3.960 -0.013 0.000 0.303 694 G C 1.048 175.943 174.900 -0.008 0.000 1.270 694 G CA 1.102 46.198 45.100 -0.008 0.000 0.988 694 G HN 1.062 nan 8.290 nan 0.000 0.551 695 A N -0.320 122.490 122.820 -0.017 0.000 2.168 695 A HA 0.093 4.406 4.320 -0.013 0.000 0.215 695 A C 2.106 179.632 177.584 -0.097 0.000 1.152 695 A CA 1.861 53.881 52.037 -0.027 0.000 0.716 695 A CB -0.460 18.508 19.000 -0.054 0.000 0.794 695 A HN 0.621 nan 8.150 nan 0.000 0.465 696 N N 0.493 119.143 118.700 -0.083 0.000 2.137 696 N HA -0.155 4.577 4.740 -0.013 0.000 0.190 696 N C 1.589 176.980 175.510 -0.198 0.000 1.017 696 N CA 1.628 54.625 53.050 -0.089 0.000 0.859 696 N CB -0.572 37.905 38.487 -0.017 0.000 1.002 696 N HN 0.296 nan 8.380 nan 0.000 0.428 697 V N 1.165 121.001 119.914 -0.130 0.000 2.295 697 V HA -0.204 3.909 4.120 -0.013 0.000 0.246 697 V C 1.915 177.938 176.094 -0.118 0.000 1.049 697 V CA 1.660 63.880 62.300 -0.135 0.000 1.024 697 V CB -0.500 31.279 31.823 -0.073 0.000 0.648 697 V HN 0.352 nan 8.190 nan 0.000 0.447 698 E N -0.601 119.588 120.200 -0.017 0.000 2.208 698 E HA -0.124 4.219 4.350 -0.013 0.000 0.193 698 E C 2.178 178.906 176.600 0.214 0.000 0.988 698 E CA 0.991 57.458 56.400 0.111 0.000 0.828 698 E CB -0.153 29.693 29.700 0.245 0.000 0.763 698 E HN 0.562 nan 8.360 nan 0.000 0.478 699 M N 0.302 119.925 119.600 0.037 0.000 2.098 699 M HA -0.082 4.391 4.480 -0.013 0.000 0.262 699 M C 2.512 178.624 176.300 -0.314 0.000 1.072 699 M CA 1.430 56.710 55.300 -0.033 0.000 1.133 699 M CB -0.149 32.315 32.600 -0.228 0.000 1.344 699 M HN 0.126 nan 8.290 nan 0.000 0.414 700 A N 0.089 122.397 122.820 -0.853 0.000 1.933 700 A HA -0.227 4.085 4.320 -0.013 0.000 0.218 700 A C 1.982 179.358 177.584 -0.346 0.000 1.175 700 A CA 2.026 53.483 52.037 -0.967 0.000 0.628 700 A CB -0.862 17.572 19.000 -0.944 0.000 0.814 700 A HN 0.606 nan 8.150 nan 0.000 0.444 701 E N -0.488 119.582 120.200 -0.217 0.000 2.153 701 E HA -0.201 4.142 4.350 -0.013 0.000 0.194 701 E C 1.650 178.218 176.600 -0.053 0.000 0.988 701 E CA 1.210 57.548 56.400 -0.104 0.000 0.811 701 E CB -0.047 29.613 29.700 -0.067 0.000 0.746 701 E HN 0.578 nan 8.360 nan 0.000 0.466 702 E N -0.256 119.938 120.200 -0.010 0.000 2.170 702 E HA -0.035 4.308 4.350 -0.013 0.000 0.191 702 E C 1.643 178.266 176.600 0.038 0.000 0.981 702 E CA 0.915 57.332 56.400 0.028 0.000 0.830 702 E CB 0.261 30.020 29.700 0.099 0.000 0.775 702 E HN 0.346 nan 8.360 nan 0.000 0.470 703 A N 0.423 123.271 122.820 0.047 0.000 2.169 703 A HA 0.410 4.722 4.320 -0.013 0.000 0.210 703 A C 0.964 178.567 177.584 0.032 0.000 1.168 703 A CA 0.865 52.947 52.037 0.075 0.000 0.813 703 A CB 0.283 19.392 19.000 0.181 0.000 0.861 703 A HN 0.192 nan 8.150 nan 0.000 0.481 704 G N -0.282 108.508 108.800 -0.016 0.000 3.209 704 G HA2 -0.101 3.852 3.960 -0.013 0.000 0.686 704 G HA3 -0.101 3.852 3.960 -0.013 0.000 0.686 704 G C -0.060 174.819 174.900 -0.034 0.000 1.065 704 G CA -0.029 45.053 45.100 -0.030 0.000 0.812 704 G HN 0.251 nan 8.290 nan 0.000 0.573 705 E N 0.810 120.975 120.200 -0.059 0.000 2.331 705 E HA -0.139 4.204 4.350 -0.013 0.000 0.199 705 E C 1.993 178.574 176.600 -0.031 0.000 1.008 705 E CA 1.663 58.033 56.400 -0.049 0.000 0.843 705 E CB 0.098 29.765 29.700 -0.054 0.000 0.761 705 E HN 0.786 nan 8.360 nan 0.000 0.507 706 E N 0.428 120.600 120.200 -0.046 0.000 2.285 706 E HA -0.053 4.289 4.350 -0.013 0.000 0.194 706 E C 0.897 177.412 176.600 -0.142 0.000 0.997 706 E CA 0.567 56.919 56.400 -0.080 0.000 0.845 706 E CB 0.109 29.774 29.700 -0.057 0.000 0.782 706 E HN 0.140 nan 8.360 nan 0.000 0.491 707 N N -0.204 118.442 118.700 -0.091 0.000 2.251 707 N HA 0.153 4.885 4.740 -0.013 0.000 0.217 707 N C -0.978 174.457 175.510 -0.125 0.000 1.124 707 N CA 0.101 53.071 53.050 -0.134 0.000 0.843 707 N CB 0.421 38.884 38.487 -0.040 0.000 1.024 707 N HN 0.037 nan 8.380 nan 0.000 0.501 708 F N -0.423 119.307 119.950 -0.366 0.000 2.599 708 F HA 0.412 4.931 4.527 -0.014 0.000 0.311 708 F C -0.845 174.717 175.800 -0.397 0.000 1.076 708 F CA -1.080 56.743 58.000 -0.295 0.000 0.937 708 F CB 1.430 40.353 39.000 -0.128 0.000 1.282 708 F HN -0.220 nan 8.300 nan 0.000 0.460 709 F N 4.948 124.933 119.950 0.057 0.000 2.344 709 F HA 0.433 4.953 4.527 -0.012 0.000 0.344 709 F C -0.403 175.541 175.800 0.240 0.000 1.140 709 F CA -0.491 57.569 58.000 0.099 0.000 1.256 709 F CB -0.008 38.992 39.000 0.002 0.000 1.573 709 F HN 0.041 nan 8.300 nan 0.000 0.547 710 I N 3.389 124.171 120.570 0.353 0.000 2.472 710 I HA 0.403 4.565 4.170 -0.013 0.000 0.290 710 I C -0.084 176.220 176.117 0.312 0.000 1.016 710 I CA -0.389 61.077 61.300 0.277 0.000 1.348 710 I CB 0.603 38.682 38.000 0.131 0.000 1.417 710 I HN 0.355 nan 8.210 nan 0.000 0.521 711 F N 2.978 122.998 119.950 0.116 0.000 2.789 711 F HA 0.914 5.433 4.527 -0.013 0.000 0.319 711 F C 0.150 175.996 175.800 0.076 0.000 1.168 711 F CA -0.604 57.456 58.000 0.099 0.000 0.934 711 F CB 0.614 39.688 39.000 0.122 0.000 1.375 711 F HN 0.853 nan 8.300 nan 0.000 0.480 712 G N 0.876 109.757 108.800 0.134 0.000 2.796 712 G HA2 -0.156 3.797 3.960 -0.013 0.000 0.226 712 G HA3 -0.156 3.797 3.960 -0.013 0.000 0.226 712 G C -0.727 174.145 174.900 -0.045 0.000 1.381 712 G CA -0.429 44.673 45.100 0.004 0.000 0.867 712 G HN 0.972 nan 8.290 nan 0.000 0.552 713 M N 0.691 120.276 119.600 -0.026 0.000 2.252 713 M HA 0.236 4.708 4.480 -0.013 0.000 0.333 713 M C 1.221 177.489 176.300 -0.054 0.000 1.111 713 M CA 0.129 55.420 55.300 -0.015 0.000 1.140 713 M CB 0.370 32.970 32.600 -0.000 0.000 1.538 713 M HN 0.562 nan 8.290 nan 0.000 0.448 714 R N 1.574 122.055 120.500 -0.031 0.000 2.606 714 R HA 0.329 4.662 4.340 -0.013 0.000 0.249 714 R C 1.135 177.416 176.300 -0.031 0.000 1.127 714 R CA -0.671 55.404 56.100 -0.041 0.000 1.133 714 R CB -0.133 30.149 30.300 -0.029 0.000 1.243 714 R HN 0.561 nan 8.270 nan 0.000 0.558 715 V N 1.844 121.739 119.914 -0.032 0.000 2.332 715 V HA -0.257 3.855 4.120 -0.013 0.000 0.248 715 V C 2.106 178.190 176.094 -0.017 0.000 1.055 715 V CA 2.070 64.355 62.300 -0.026 0.000 1.038 715 V CB -0.468 31.337 31.823 -0.029 0.000 0.651 715 V HN 0.623 nan 8.190 nan 0.000 0.450 716 E N 0.199 120.391 120.200 -0.014 0.000 2.058 716 E HA -0.252 4.090 4.350 -0.013 0.000 0.194 716 E C 1.818 178.422 176.600 0.006 0.000 0.997 716 E CA 1.677 58.074 56.400 -0.005 0.000 0.801 716 E CB -0.893 28.805 29.700 -0.004 0.000 0.746 716 E HN 0.638 nan 8.360 nan 0.000 0.450 717 D N 1.037 121.443 120.400 0.011 0.000 2.144 717 D HA -0.096 4.537 4.640 -0.013 0.000 0.199 717 D C 2.187 178.506 176.300 0.030 0.000 0.984 717 D CA 1.127 55.144 54.000 0.029 0.000 0.834 717 D CB -0.007 40.814 40.800 0.035 0.000 0.955 717 D HN 0.059 nan 8.370 nan 0.000 0.465 718 V N 1.941 121.860 119.914 0.009 0.000 2.295 718 V HA -0.215 3.897 4.120 -0.013 0.000 0.246 718 V C 2.019 178.116 176.094 0.004 0.000 1.049 718 V CA 1.731 64.029 62.300 -0.003 0.000 1.024 718 V CB -0.394 31.416 31.823 -0.021 0.000 0.648 718 V HN 0.041 nan 8.190 nan 0.000 0.447 719 D N -0.379 120.022 120.400 0.002 0.000 2.117 719 D HA -0.143 4.490 4.640 -0.013 0.000 0.198 719 D C 2.353 178.665 176.300 0.021 0.000 0.982 719 D CA 1.117 55.120 54.000 0.005 0.000 0.828 719 D CB -0.240 40.558 40.800 -0.003 0.000 0.967 719 D HN 0.299 nan 8.370 nan 0.000 0.464 720 R N 0.267 120.784 120.500 0.028 0.000 2.083 720 R HA -0.064 4.268 4.340 -0.013 0.000 0.237 720 R C 2.480 178.816 176.300 0.059 0.000 1.137 720 R CA 0.709 56.833 56.100 0.040 0.000 0.951 720 R CB -0.425 29.901 30.300 0.044 0.000 0.851 720 R HN 0.173 nan 8.270 nan 0.000 0.434 721 L N 0.503 121.772 121.223 0.076 0.000 2.131 721 L HA -0.228 4.105 4.340 -0.013 0.000 0.210 721 L C 1.414 178.352 176.870 0.112 0.000 1.092 721 L CA 1.433 56.345 54.840 0.120 0.000 0.759 721 L CB -0.290 41.859 42.059 0.149 0.000 0.903 721 L HN 0.300 nan 8.230 nan 0.000 0.435 722 D N -0.978 119.463 120.400 0.067 0.000 2.149 722 D HA -0.150 4.482 4.640 -0.013 0.000 0.201 722 D C 2.290 178.620 176.300 0.051 0.000 0.972 722 D CA 0.712 54.745 54.000 0.055 0.000 0.835 722 D CB 0.074 40.885 40.800 0.018 0.000 0.966 722 D HN 0.357 nan 8.370 nan 0.000 0.476 723 Q N 0.629 120.455 119.800 0.043 0.000 2.002 723 Q HA -0.124 4.209 4.340 -0.013 0.000 0.204 723 Q C 2.281 178.309 176.000 0.046 0.000 0.988 723 Q CA 0.889 56.713 55.803 0.036 0.000 0.843 723 Q CB -0.503 28.253 28.738 0.030 0.000 0.908 723 Q HN 0.295 nan 8.270 nan 0.000 0.420 724 R N 0.276 120.810 120.500 0.057 0.000 2.096 724 R HA -0.092 4.241 4.340 -0.013 0.000 0.240 724 R C 0.251 176.593 176.300 0.069 0.000 1.139 724 R CA 1.326 57.463 56.100 0.062 0.000 0.952 724 R CB -0.226 30.120 30.300 0.076 0.000 0.854 724 R HN 0.441 nan 8.270 nan 0.000 0.436 725 G N -0.675 108.182 108.800 0.096 0.000 3.363 725 G HA2 -0.223 3.729 3.960 -0.013 0.000 0.685 725 G HA3 -0.223 3.729 3.960 -0.013 0.000 0.685 725 G C -1.407 173.590 174.900 0.163 0.000 1.199 725 G CA -0.443 44.722 45.100 0.108 0.000 0.946 725 G HN 0.313 nan 8.290 nan 0.000 0.558 726 Y N 3.857 124.193 120.300 0.061 0.000 2.393 726 Y HA 0.597 5.140 4.550 -0.012 0.000 0.338 726 Y C 0.286 176.247 175.900 0.102 0.000 1.029 726 Y CA -0.870 57.286 58.100 0.093 0.000 1.239 726 Y CB 0.994 39.487 38.460 0.055 0.000 1.170 726 Y HN 0.576 nan 8.280 nan 0.000 0.515 727 N N 5.125 123.580 118.700 -0.408 0.000 2.524 727 N HA 0.284 5.017 4.740 -0.013 0.000 0.261 727 N C 0.011 175.263 175.510 -0.429 0.000 0.998 727 N CA 0.277 53.122 53.050 -0.342 0.000 0.915 727 N CB 1.693 40.109 38.487 -0.119 0.000 1.187 727 N HN 0.886 nan 8.380 nan 0.000 0.507 728 A N 3.121 125.638 122.820 -0.504 0.000 2.015 728 A HA -0.182 4.130 4.320 -0.013 0.000 0.219 728 A C 1.920 179.656 177.584 0.253 0.000 1.163 728 A CA 1.244 53.242 52.037 -0.064 0.000 0.646 728 A CB -0.267 18.669 19.000 -0.107 0.000 0.806 728 A HN 0.757 nan 8.150 nan 0.000 0.448 729 Q N 0.268 120.104 119.800 0.060 0.000 2.135 729 Q HA -0.227 4.105 4.340 -0.013 0.000 0.204 729 Q C 1.876 177.949 176.000 0.121 0.000 0.981 729 Q CA 2.237 58.089 55.803 0.081 0.000 0.856 729 Q CB -0.323 28.418 28.738 0.004 0.000 0.902 729 Q HN 0.759 nan 8.270 nan 0.000 0.425 730 E N -1.238 118.971 120.200 0.014 0.000 2.033 730 E HA -0.251 4.092 4.350 -0.013 0.000 0.199 730 E C 1.715 178.233 176.600 -0.136 0.000 1.011 730 E CA 1.684 58.013 56.400 -0.118 0.000 0.815 730 E CB -0.253 29.270 29.700 -0.296 0.000 0.755 730 E HN 0.556 nan 8.360 nan 0.000 0.451 731 Y N -1.123 119.218 120.300 0.069 0.000 2.224 731 Y HA -0.244 4.298 4.550 -0.013 0.000 0.289 731 Y C 2.189 178.051 175.900 -0.065 0.000 1.146 731 Y CA 1.609 59.732 58.100 0.039 0.000 1.182 731 Y CB -0.612 37.921 38.460 0.123 0.000 0.983 731 Y HN 0.287 nan 8.280 nan 0.000 0.524 732 Y N 0.991 121.283 120.300 -0.015 0.000 2.242 732 Y HA -0.226 4.317 4.550 -0.012 0.000 0.291 732 Y C 1.887 177.733 175.900 -0.090 0.000 1.137 732 Y CA 1.677 59.697 58.100 -0.133 0.000 1.181 732 Y CB -0.290 38.142 38.460 -0.046 0.000 0.989 732 Y HN 0.052 nan 8.280 nan 0.000 0.527 733 D N -0.143 120.310 120.400 0.089 0.000 2.123 733 D HA -0.109 4.523 4.640 -0.013 0.000 0.200 733 D C 1.919 178.173 176.300 -0.078 0.000 0.976 733 D CA 1.219 55.224 54.000 0.009 0.000 0.831 733 D CB -0.094 40.737 40.800 0.052 0.000 0.974 733 D HN 0.474 nan 8.370 nan 0.000 0.469 734 R N 0.034 120.489 120.500 -0.075 0.000 2.276 734 R HA 0.200 4.533 4.340 -0.013 0.000 0.196 734 R C 0.436 176.698 176.300 -0.063 0.000 0.961 734 R CA 0.147 56.206 56.100 -0.068 0.000 1.024 734 R CB 0.634 30.894 30.300 -0.067 0.000 0.940 734 R HN 0.175 nan 8.270 nan 0.000 0.480 735 I N 2.414 122.925 120.570 -0.098 0.000 2.405 735 I HA 0.211 4.373 4.170 -0.013 0.000 0.280 735 I C -1.865 174.147 176.117 -0.176 0.000 1.027 735 I CA -2.435 58.815 61.300 -0.084 0.000 1.161 735 I CB 2.280 40.264 38.000 -0.027 0.000 1.300 735 I HN -0.259 nan 8.210 nan 0.000 0.463 736 P HA -0.146 nan 4.420 nan 0.000 0.216 736 P C 1.220 178.426 177.300 -0.156 0.000 1.153 736 P CA 1.289 64.293 63.100 -0.161 0.000 0.848 736 P CB 0.297 31.936 31.700 -0.102 0.000 0.787 737 E N -0.817 119.333 120.200 -0.083 0.000 2.085 737 E HA -0.192 4.151 4.350 -0.013 0.000 0.194 737 E C 1.882 178.408 176.600 -0.124 0.000 0.994 737 E CA 0.905 57.279 56.400 -0.043 0.000 0.801 737 E CB -0.666 29.078 29.700 0.073 0.000 0.743 737 E HN 0.103 nan 8.360 nan 0.000 0.453 738 L N 1.369 122.437 121.223 -0.258 0.000 2.056 738 L HA -0.147 4.186 4.340 -0.013 0.000 0.207 738 L C 2.365 178.974 176.870 -0.435 0.000 1.078 738 L CA 1.681 56.196 54.840 -0.543 0.000 0.749 738 L CB -0.441 41.146 42.059 -0.787 0.000 0.901 738 L HN -0.068 nan 8.230 nan 0.000 0.433 739 R N -0.815 119.399 120.500 -0.477 0.000 2.073 739 R HA -0.236 4.096 4.340 -0.013 0.000 0.234 739 R C 2.393 178.535 176.300 -0.264 0.000 1.134 739 R CA 1.939 57.670 56.100 -0.615 0.000 0.952 739 R CB -0.388 29.457 30.300 -0.758 0.000 0.850 739 R HN 0.622 nan 8.270 nan 0.000 0.433 740 Q N 0.436 120.116 119.800 -0.200 0.000 2.135 740 Q HA -0.195 4.138 4.340 -0.013 0.000 0.204 740 Q C 2.042 178.003 176.000 -0.065 0.000 0.981 740 Q CA 1.923 57.656 55.803 -0.117 0.000 0.856 740 Q CB -0.098 28.573 28.738 -0.111 0.000 0.902 740 Q HN 0.489 nan 8.270 nan 0.000 0.425 741 I N 0.013 120.547 120.570 -0.059 0.000 2.202 741 I HA -0.276 3.887 4.170 -0.013 0.000 0.242 741 I C 2.139 178.301 176.117 0.075 0.000 1.091 741 I CA 0.774 62.087 61.300 0.020 0.000 1.368 741 I CB -0.169 37.824 38.000 -0.011 0.000 1.058 741 I HN 0.218 nan 8.210 nan 0.000 0.410 742 I N 0.754 121.362 120.570 0.062 0.000 2.264 742 I HA -0.279 3.883 4.170 -0.013 0.000 0.248 742 I C 2.369 178.592 176.117 0.177 0.000 1.111 742 I CA 1.637 63.034 61.300 0.162 0.000 1.382 742 I CB -0.340 37.832 38.000 0.285 0.000 1.060 742 I HN 0.203 nan 8.210 nan 0.000 0.418 743 E N -0.437 119.851 120.200 0.147 0.000 2.285 743 E HA -0.209 4.134 4.350 -0.013 0.000 0.194 743 E C 2.081 178.751 176.600 0.116 0.000 0.997 743 E CA 0.527 57.005 56.400 0.130 0.000 0.845 743 E CB -0.074 29.682 29.700 0.094 0.000 0.782 743 E HN 0.585 nan 8.360 nan 0.000 0.491 744 Q N 0.477 120.342 119.800 0.109 0.000 2.083 744 Q HA -0.063 4.269 4.340 -0.013 0.000 0.198 744 Q C 2.236 178.424 176.000 0.313 0.000 0.969 744 Q CA 0.808 56.690 55.803 0.132 0.000 0.838 744 Q CB 0.148 28.925 28.738 0.065 0.000 0.900 744 Q HN 0.278 nan 8.270 nan 0.000 0.436 745 L N -0.513 120.904 121.223 0.323 0.000 2.056 745 L HA -0.141 4.191 4.340 -0.013 0.000 0.207 745 L C 2.363 179.416 176.870 0.305 0.000 1.078 745 L CA 0.820 55.868 54.840 0.347 0.000 0.749 745 L CB -0.293 41.892 42.059 0.210 0.000 0.901 745 L HN 0.115 nan 8.230 nan 0.000 0.433 746 S N -0.410 115.425 115.700 0.225 0.000 2.423 746 S HA -0.116 4.346 4.470 -0.013 0.000 0.231 746 S C 1.971 176.670 174.600 0.164 0.000 1.014 746 S CA 1.434 59.744 58.200 0.183 0.000 0.965 746 S CB -0.085 63.202 63.200 0.146 0.000 0.785 746 S HN 0.592 nan 8.310 nan 0.000 0.495 747 S N -0.294 115.508 115.700 0.170 0.000 2.556 747 S HA 0.428 4.890 4.470 -0.013 0.000 0.216 747 S C 1.279 175.970 174.600 0.151 0.000 0.970 747 S CA 0.513 58.797 58.200 0.140 0.000 0.912 747 S CB 0.415 63.686 63.200 0.119 0.000 0.790 747 S HN 0.665 nan 8.310 nan 0.000 0.504 748 G N 1.097 110.019 108.800 0.202 0.000 2.131 748 G HA2 -0.302 3.650 3.960 -0.013 0.000 0.223 748 G HA3 -0.302 3.650 3.960 -0.013 0.000 0.223 748 G C 0.200 175.189 174.900 0.148 0.000 0.990 748 G CA 0.123 45.332 45.100 0.181 0.000 0.671 748 G HN 0.546 nan 8.290 nan 0.000 0.521 749 F N 0.349 120.303 119.950 0.007 0.000 2.202 749 F HA 0.206 4.725 4.527 -0.013 0.000 0.301 749 F C 1.797 177.417 175.800 -0.301 0.000 1.082 749 F CA 1.830 59.718 58.000 -0.186 0.000 1.313 749 F CB -0.079 38.728 39.000 -0.321 0.000 1.024 749 F HN 0.156 nan 8.300 nan 0.000 0.495 750 F N -0.198 119.798 119.950 0.077 0.000 2.695 750 F HA 0.217 4.737 4.527 -0.013 0.000 0.303 750 F C 0.662 176.525 175.800 0.104 0.000 1.091 750 F CA 0.299 58.299 58.000 -0.000 0.000 1.300 750 F CB -0.124 38.914 39.000 0.062 0.000 1.071 750 F HN 0.000 nan 8.300 nan 0.000 0.578 751 S N -1.764 114.072 115.700 0.227 0.000 2.564 751 S HA 0.319 4.781 4.470 -0.013 0.000 0.141 751 S C -2.480 172.147 174.600 0.046 0.000 1.474 751 S CA -1.050 57.230 58.200 0.133 0.000 1.236 751 S CB 0.974 64.233 63.200 0.099 0.000 1.481 751 S HN -0.193 nan 8.310 nan 0.000 0.397 752 P HA -0.135 nan 4.420 nan 0.000 0.214 752 P C 1.248 178.547 177.300 -0.002 0.000 1.163 752 P CA 1.483 64.574 63.100 -0.016 0.000 0.889 752 P CB 0.077 31.748 31.700 -0.049 0.000 0.790 753 K N -0.878 119.520 120.400 -0.004 0.000 2.147 753 K HA -0.102 4.210 4.320 -0.013 0.000 0.205 753 K C 0.640 177.242 176.600 0.002 0.000 1.049 753 K CA 1.072 57.359 56.287 -0.000 0.000 0.936 753 K CB -0.263 32.238 32.500 0.002 0.000 0.722 753 K HN 0.351 nan 8.250 nan 0.000 0.446 754 Q N -0.235 119.564 119.800 -0.002 0.000 2.798 754 Q HA 0.160 4.492 4.340 -0.013 0.000 0.250 754 Q C -2.347 173.646 176.000 -0.011 0.000 1.006 754 Q CA -1.625 54.171 55.803 -0.011 0.000 0.759 754 Q CB 1.612 30.335 28.738 -0.026 0.000 1.201 754 Q HN -0.086 nan 8.270 nan 0.000 0.486 755 P HA -0.221 nan 4.420 nan 0.000 0.219 755 P C 0.556 177.893 177.300 0.063 0.000 1.146 755 P CA 1.366 64.497 63.100 0.052 0.000 0.808 755 P CB 0.236 31.967 31.700 0.052 0.000 0.779 756 D N -1.101 119.319 120.400 0.033 0.000 2.368 756 D HA -0.008 4.625 4.640 -0.013 0.000 0.218 756 D C 1.593 177.894 176.300 0.002 0.000 1.112 756 D CA -0.239 53.788 54.000 0.044 0.000 0.834 756 D CB -0.427 40.399 40.800 0.044 0.000 0.953 756 D HN 0.015 nan 8.370 nan 0.000 0.505 757 L N 0.170 121.332 121.223 -0.102 0.000 2.043 757 L HA -0.098 4.234 4.340 -0.013 0.000 0.212 757 L C 0.857 177.510 176.870 -0.361 0.000 1.075 757 L CA 1.654 56.315 54.840 -0.298 0.000 0.752 757 L CB -0.623 41.084 42.059 -0.587 0.000 0.891 757 L HN -0.069 nan 8.230 nan 0.000 0.432 758 F N -0.293 119.712 119.950 0.092 0.000 2.819 758 F HA 0.204 4.724 4.527 -0.012 0.000 0.294 758 F C 1.713 177.566 175.800 0.088 0.000 1.166 758 F CA -0.122 57.923 58.000 0.075 0.000 1.374 758 F CB -0.727 38.306 39.000 0.054 0.000 0.956 758 F HN 0.155 nan 8.300 nan 0.000 0.509 759 K N -0.972 119.547 120.400 0.197 0.000 2.148 759 K HA -0.113 4.200 4.320 -0.013 0.000 0.204 759 K C 1.030 177.737 176.600 0.178 0.000 1.050 759 K CA 1.651 58.040 56.287 0.170 0.000 0.942 759 K CB -0.138 32.437 32.500 0.126 0.000 0.724 759 K HN 0.007 nan 8.250 nan 0.000 0.446 760 D N 1.277 121.795 120.400 0.196 0.000 2.144 760 D HA -0.068 4.564 4.640 -0.013 0.000 0.200 760 D C 1.976 178.390 176.300 0.191 0.000 0.978 760 D CA 1.058 55.185 54.000 0.212 0.000 0.833 760 D CB -0.081 40.880 40.800 0.268 0.000 0.961 760 D HN 0.283 nan 8.370 nan 0.000 0.470 761 I N 0.361 121.040 120.570 0.182 0.000 2.202 761 I HA -0.207 3.955 4.170 -0.013 0.000 0.242 761 I C 2.427 178.601 176.117 0.094 0.000 1.091 761 I CA 0.542 61.917 61.300 0.125 0.000 1.368 761 I CB -0.127 37.937 38.000 0.107 0.000 1.058 761 I HN -0.129 nan 8.210 nan 0.000 0.410 762 V N 0.884 120.870 119.914 0.120 0.000 2.261 762 V HA -0.323 3.790 4.120 -0.013 0.000 0.246 762 V C 2.166 178.277 176.094 0.029 0.000 1.047 762 V CA 2.514 64.869 62.300 0.090 0.000 1.015 762 V CB -1.010 30.886 31.823 0.122 0.000 0.642 762 V HN 0.496 nan 8.190 nan 0.000 0.446 763 N N -0.423 118.328 118.700 0.084 0.000 2.061 763 N HA -0.260 4.473 4.740 -0.013 0.000 0.193 763 N C 1.987 177.482 175.510 -0.025 0.000 1.030 763 N CA 1.928 55.043 53.050 0.107 0.000 0.856 763 N CB -0.169 38.447 38.487 0.216 0.000 1.023 763 N HN 0.394 nan 8.380 nan 0.000 0.424 764 M N 0.100 119.741 119.600 0.069 0.000 2.086 764 M HA -0.138 4.334 4.480 -0.013 0.000 0.261 764 M C 1.598 177.826 176.300 -0.120 0.000 1.067 764 M CA 1.331 56.681 55.300 0.083 0.000 1.116 764 M CB -0.443 32.276 32.600 0.198 0.000 1.348 764 M HN 0.238 nan 8.290 nan 0.000 0.407 765 L N 0.942 122.077 121.223 -0.147 0.000 2.042 765 L HA -0.227 4.105 4.340 -0.013 0.000 0.210 765 L C 2.457 179.026 176.870 -0.501 0.000 1.076 765 L CA 1.751 56.384 54.840 -0.345 0.000 0.749 765 L CB -1.089 40.804 42.059 -0.277 0.000 0.893 765 L HN 0.396 nan 8.230 nan 0.000 0.432 766 M N -2.101 117.244 119.600 -0.424 0.000 2.334 766 M HA -0.054 4.419 4.480 -0.013 0.000 0.266 766 M C 1.791 177.637 176.300 -0.756 0.000 1.082 766 M CA 1.259 56.214 55.300 -0.575 0.000 1.141 766 M CB -0.704 31.451 32.600 -0.741 0.000 1.380 766 M HN 0.337 nan 8.290 nan 0.000 0.440 767 H N -1.771 117.082 119.070 -0.362 0.000 3.017 767 H HA 0.210 4.758 4.556 -0.012 0.000 0.255 767 H C 0.099 175.163 175.328 -0.441 0.000 0.990 767 H CA 0.594 56.369 56.048 -0.455 0.000 1.205 767 H CB 0.282 29.710 29.762 -0.557 0.000 1.460 767 H HN 0.549 nan 8.280 nan 0.000 0.478 768 H N -0.386 118.746 119.070 0.102 0.000 2.716 768 H HA 0.203 4.751 4.556 -0.013 0.000 0.230 768 H C -0.881 174.464 175.328 0.027 0.000 1.401 768 H CA -0.504 55.588 56.048 0.073 0.000 1.168 768 H CB 0.475 30.284 29.762 0.079 0.000 1.935 768 H HN -0.074 nan 8.280 nan 0.000 0.538 769 D N 1.412 121.842 120.400 0.050 0.000 2.365 769 D HA 0.107 4.739 4.640 -0.013 0.000 0.237 769 D C 0.938 177.156 176.300 -0.136 0.000 1.190 769 D CA -0.217 53.772 54.000 -0.018 0.000 0.867 769 D CB 0.686 41.442 40.800 -0.073 0.000 1.050 769 D HN 0.396 nan 8.370 nan 0.000 0.491 770 R N 2.403 122.740 120.500 -0.272 0.000 2.235 770 R HA -0.012 4.321 4.340 -0.013 0.000 0.213 770 R C 0.480 176.208 176.300 -0.953 0.000 1.059 770 R CA 0.733 56.442 56.100 -0.653 0.000 0.997 770 R CB 0.208 29.940 30.300 -0.946 0.000 0.884 770 R HN 0.400 nan 8.270 nan 0.000 0.462 771 F N 1.478 121.371 119.950 -0.096 0.000 2.791 771 F HA 0.204 4.724 4.527 -0.012 0.000 0.308 771 F C -0.034 175.628 175.800 -0.230 0.000 1.138 771 F CA -0.888 57.041 58.000 -0.118 0.000 1.294 771 F CB 0.173 39.163 39.000 -0.017 0.000 0.975 771 F HN -0.192 nan 8.300 nan 0.000 0.512 772 K N -0.730 119.433 120.400 -0.394 0.000 4.166 772 K HA -0.207 4.106 4.320 -0.013 0.000 0.276 772 K C 0.718 177.174 176.600 -0.240 0.000 0.808 772 K CA 0.241 56.116 56.287 -0.686 0.000 0.717 772 K CB -1.808 30.082 32.500 -1.016 0.000 1.774 772 K HN 0.304 nan 8.250 nan 0.000 0.427 773 V N 0.759 120.607 119.914 -0.110 0.000 2.295 773 V HA -0.254 3.858 4.120 -0.013 0.000 0.246 773 V C 2.121 178.338 176.094 0.205 0.000 1.049 773 V CA 1.905 64.227 62.300 0.036 0.000 1.024 773 V CB -0.600 31.242 31.823 0.031 0.000 0.648 773 V HN 0.510 nan 8.190 nan 0.000 0.447 774 F N 0.954 120.907 119.950 0.004 0.000 2.171 774 F HA -0.126 4.394 4.527 -0.013 0.000 0.300 774 F C 2.502 178.118 175.800 -0.307 0.000 1.090 774 F CA 0.910 58.863 58.000 -0.079 0.000 1.293 774 F CB -1.584 37.376 39.000 -0.066 0.000 1.013 774 F HN 0.169 nan 8.300 nan 0.000 0.486 775 A N -0.587 122.087 122.820 -0.243 0.000 2.024 775 A HA -0.180 4.133 4.320 -0.013 0.000 0.220 775 A C 1.626 179.226 177.584 0.026 0.000 1.164 775 A CA 2.034 53.864 52.037 -0.345 0.000 0.643 775 A CB -0.548 18.376 19.000 -0.127 0.000 0.806 775 A HN 0.241 nan 8.150 nan 0.000 0.451 776 D N -3.069 117.405 120.400 0.123 0.000 2.398 776 D HA 0.116 4.748 4.640 -0.013 0.000 0.210 776 D C 1.101 177.590 176.300 0.314 0.000 1.094 776 D CA -0.114 54.031 54.000 0.242 0.000 0.839 776 D CB -0.111 40.837 40.800 0.246 0.000 0.963 776 D HN 0.540 nan 8.370 nan 0.000 0.506 777 Y N 2.110 122.512 120.300 0.170 0.000 2.070 777 Y HA -0.215 4.327 4.550 -0.012 0.000 0.280 777 Y C 2.049 178.047 175.900 0.164 0.000 1.148 777 Y CA 1.915 60.126 58.100 0.184 0.000 1.125 777 Y CB 0.110 38.652 38.460 0.136 0.000 0.975 777 Y HN -0.107 nan 8.280 nan 0.000 0.492 778 E N -0.021 120.280 120.200 0.168 0.000 2.049 778 E HA -0.288 4.055 4.350 -0.013 0.000 0.198 778 E C 2.210 178.793 176.600 -0.028 0.000 1.007 778 E CA 1.745 58.161 56.400 0.028 0.000 0.809 778 E CB -0.255 29.552 29.700 0.179 0.000 0.749 778 E HN 0.627 nan 8.360 nan 0.000 0.450 779 E N -0.460 119.798 120.200 0.097 0.000 2.204 779 E HA -0.184 4.159 4.350 -0.013 0.000 0.194 779 E C 1.830 178.429 176.600 -0.002 0.000 0.989 779 E CA 0.473 56.946 56.400 0.122 0.000 0.824 779 E CB -0.016 29.847 29.700 0.271 0.000 0.756 779 E HN 0.244 nan 8.360 nan 0.000 0.477 780 Y N 0.655 120.772 120.300 -0.305 0.000 2.153 780 Y HA -0.191 4.351 4.550 -0.013 0.000 0.289 780 Y C 2.175 177.675 175.900 -0.667 0.000 1.127 780 Y CA 1.517 59.104 58.100 -0.855 0.000 1.131 780 Y CB -0.625 37.416 38.460 -0.699 0.000 0.995 780 Y HN -0.029 nan 8.280 nan 0.000 0.505 781 V N -0.486 119.033 119.914 -0.658 0.000 2.515 781 V HA -0.137 3.975 4.120 -0.013 0.000 0.250 781 V C 2.213 178.064 176.094 -0.404 0.000 1.058 781 V CA 2.162 64.093 62.300 -0.614 0.000 1.064 781 V CB -0.637 30.917 31.823 -0.448 0.000 0.675 781 V HN 0.208 nan 8.190 nan 0.000 0.461 782 K N 0.115 120.345 120.400 -0.282 0.000 2.032 782 K HA -0.140 4.172 4.320 -0.013 0.000 0.209 782 K C 2.305 178.808 176.600 -0.162 0.000 1.048 782 K CA 2.107 58.300 56.287 -0.156 0.000 0.927 782 K CB -1.385 31.073 32.500 -0.070 0.000 0.712 782 K HN 0.674 nan 8.250 nan 0.000 0.441 783 C N 0.865 120.042 119.300 -0.204 0.000 2.425 783 C HA -0.081 4.371 4.460 -0.013 0.000 0.277 783 C C 2.419 177.228 174.990 -0.301 0.000 1.280 783 C CA 0.720 59.645 59.018 -0.154 0.000 1.744 783 C CB -0.733 26.934 27.740 -0.122 0.000 1.989 783 C HN 0.454 nan 8.230 nan 0.000 0.491 784 Q N 0.302 119.782 119.800 -0.533 0.000 2.224 784 Q HA -0.160 4.173 4.340 -0.013 0.000 0.203 784 Q C 1.963 177.763 176.000 -0.333 0.000 0.970 784 Q CA 1.488 56.937 55.803 -0.591 0.000 0.865 784 Q CB -0.326 27.826 28.738 -0.977 0.000 0.922 784 Q HN 0.758 nan 8.270 nan 0.000 0.445 785 E N 0.130 120.193 120.200 -0.228 0.000 2.150 785 E HA -0.118 4.224 4.350 -0.013 0.000 0.193 785 E C 2.047 178.608 176.600 -0.065 0.000 0.985 785 E CA 0.515 56.845 56.400 -0.117 0.000 0.814 785 E CB 0.102 29.752 29.700 -0.082 0.000 0.752 785 E HN 0.236 nan 8.360 nan 0.000 0.466 786 R N 0.371 120.841 120.500 -0.050 0.000 2.092 786 R HA -0.100 4.233 4.340 -0.013 0.000 0.231 786 R C 2.671 179.012 176.300 0.069 0.000 1.119 786 R CA 1.427 57.571 56.100 0.074 0.000 0.970 786 R CB -0.556 29.860 30.300 0.194 0.000 0.864 786 R HN 0.224 nan 8.270 nan 0.000 0.440 787 V N -1.350 118.406 119.914 -0.264 0.000 2.453 787 V HA -0.112 4.001 4.120 -0.013 0.000 0.247 787 V C 1.989 178.106 176.094 0.039 0.000 1.048 787 V CA 1.843 63.915 62.300 -0.381 0.000 1.049 787 V CB -0.165 31.165 31.823 -0.820 0.000 0.672 787 V HN 0.070 nan 8.190 nan 0.000 0.457 788 S N 0.847 116.511 115.700 -0.059 0.000 2.382 788 S HA -0.016 4.446 4.470 -0.013 0.000 0.228 788 S C 2.258 176.910 174.600 0.088 0.000 1.027 788 S CA 1.615 59.803 58.200 -0.020 0.000 0.991 788 S CB -0.603 62.560 63.200 -0.062 0.000 0.823 788 S HN 0.963 nan 8.310 nan 0.000 0.469 789 A N 1.341 124.223 122.820 0.103 0.000 1.877 789 A HA 0.009 4.322 4.320 -0.013 0.000 0.216 789 A C 2.076 179.776 177.584 0.195 0.000 1.186 789 A CA 1.064 53.181 52.037 0.133 0.000 0.620 789 A CB -0.730 18.342 19.000 0.120 0.000 0.822 789 A HN 0.464 nan 8.150 nan 0.000 0.443 790 L N -1.909 119.498 121.223 0.306 0.000 2.141 790 L HA -0.143 4.189 4.340 -0.013 0.000 0.209 790 L C 2.417 179.584 176.870 0.496 0.000 1.094 790 L CA 1.652 56.757 54.840 0.443 0.000 0.763 790 L CB -0.412 42.029 42.059 0.636 0.000 0.908 790 L HN 0.610 nan 8.230 nan 0.000 0.437 791 Y N 0.889 121.275 120.300 0.143 0.000 2.352 791 Y HA -0.242 4.301 4.550 -0.011 0.000 0.292 791 Y C 2.419 178.221 175.900 -0.162 0.000 1.136 791 Y CA 1.508 59.385 58.100 -0.370 0.000 1.227 791 Y CB -0.036 38.000 38.460 -0.708 0.000 0.991 791 Y HN 0.034 nan 8.280 nan 0.000 0.545 792 K N 0.036 120.449 120.400 0.022 0.000 2.442 792 K HA -0.124 4.188 4.320 -0.013 0.000 0.198 792 K C 0.356 176.929 176.600 -0.044 0.000 1.042 792 K CA 0.700 56.987 56.287 0.000 0.000 0.958 792 K CB -0.092 32.458 32.500 0.084 0.000 0.766 792 K HN 0.049 nan 8.250 nan 0.000 0.474 793 N N 0.307 119.002 118.700 -0.009 0.000 2.976 793 N HA 0.136 4.869 4.740 -0.013 0.000 0.255 793 N C -2.433 173.084 175.510 0.011 0.000 1.312 793 N CA -2.220 50.839 53.050 0.014 0.000 0.897 793 N CB 0.985 39.517 38.487 0.075 0.000 1.184 793 N HN -0.183 nan 8.380 nan 0.000 0.497 794 P HA -0.252 nan 4.420 nan 0.000 0.219 794 P C 1.412 178.731 177.300 0.031 0.000 1.161 794 P CA 1.443 64.477 63.100 -0.110 0.000 0.909 794 P CB 0.312 31.921 31.700 -0.152 0.000 0.793 795 R N -0.423 120.092 120.500 0.025 0.000 2.091 795 R HA -0.172 4.160 4.340 -0.013 0.000 0.238 795 R C 1.997 178.345 176.300 0.079 0.000 1.136 795 R CA 1.447 57.574 56.100 0.045 0.000 0.959 795 R CB -0.302 30.015 30.300 0.028 0.000 0.856 795 R HN 0.137 nan 8.270 nan 0.000 0.437 796 E N -0.384 119.876 120.200 0.099 0.000 2.158 796 E HA -0.190 4.153 4.350 -0.013 0.000 0.191 796 E C 1.541 178.229 176.600 0.147 0.000 0.982 796 E CA 0.496 56.959 56.400 0.104 0.000 0.823 796 E CB -0.366 29.394 29.700 0.099 0.000 0.766 796 E HN 0.500 nan 8.360 nan 0.000 0.468 797 W N 2.146 123.453 121.300 0.013 0.000 2.355 797 W HA -0.169 4.483 4.660 -0.014 0.000 0.309 797 W C 1.534 178.072 176.519 0.032 0.000 1.206 797 W CA 2.045 59.416 57.345 0.043 0.000 1.284 797 W CB -0.305 29.162 29.460 0.010 0.000 1.145 797 W HN 0.029 nan 8.180 nan 0.000 0.502 798 T N 1.082 115.785 114.554 0.249 0.000 2.833 798 T HA -0.166 4.176 4.350 -0.013 0.000 0.269 798 T C 1.823 176.549 174.700 0.044 0.000 1.054 798 T CA 1.523 63.701 62.100 0.130 0.000 1.135 798 T CB -0.291 68.634 68.868 0.095 0.000 0.869 798 T HN 0.179 nan 8.240 nan 0.000 0.466 799 R N 0.314 120.842 120.500 0.046 0.000 2.115 799 R HA 0.163 4.495 4.340 -0.013 0.000 0.226 799 R C 2.468 178.766 176.300 -0.004 0.000 1.100 799 R CA 0.970 57.093 56.100 0.038 0.000 0.980 799 R CB -0.288 30.038 30.300 0.044 0.000 0.875 799 R HN 0.362 nan 8.270 nan 0.000 0.445 800 M N 0.430 119.992 119.600 -0.064 0.000 2.254 800 M HA -0.112 4.360 4.480 -0.013 0.000 0.265 800 M C 1.864 178.080 176.300 -0.140 0.000 1.066 800 M CA 1.222 56.444 55.300 -0.129 0.000 1.123 800 M CB 0.254 32.713 32.600 -0.235 0.000 1.388 800 M HN -0.030 nan 8.290 nan 0.000 0.425 801 V N 0.836 120.658 119.914 -0.154 0.000 2.295 801 V HA -0.302 3.811 4.120 -0.013 0.000 0.246 801 V C 2.176 178.262 176.094 -0.015 0.000 1.049 801 V CA 1.955 64.193 62.300 -0.104 0.000 1.024 801 V CB -0.550 31.242 31.823 -0.051 0.000 0.648 801 V HN 0.495 nan 8.190 nan 0.000 0.447 802 I N -0.558 120.026 120.570 0.024 0.000 2.423 802 I HA -0.269 3.894 4.170 -0.013 0.000 0.254 802 I C 2.639 178.805 176.117 0.082 0.000 1.151 802 I CA 1.381 62.738 61.300 0.095 0.000 1.421 802 I CB -0.276 37.825 38.000 0.168 0.000 1.079 802 I HN 0.182 nan 8.210 nan 0.000 0.431 803 R N 0.719 121.243 120.500 0.040 0.000 2.115 803 R HA -0.047 4.285 4.340 -0.013 0.000 0.226 803 R C 2.014 178.346 176.300 0.052 0.000 1.100 803 R CA 1.101 57.224 56.100 0.037 0.000 0.980 803 R CB -0.183 30.122 30.300 0.008 0.000 0.875 803 R HN 0.424 nan 8.270 nan 0.000 0.445 804 N N -0.236 118.491 118.700 0.044 0.000 2.148 804 N HA -0.070 4.663 4.740 -0.013 0.000 0.186 804 N C 1.790 177.358 175.510 0.098 0.000 1.031 804 N CA 1.375 54.473 53.050 0.080 0.000 0.848 804 N CB -0.019 38.487 38.487 0.032 0.000 1.005 804 N HN 0.119 nan 8.380 nan 0.000 0.427 805 I N 1.841 122.456 120.570 0.076 0.000 2.118 805 I HA -0.279 3.884 4.170 -0.013 0.000 0.241 805 I C 2.411 178.575 176.117 0.080 0.000 1.070 805 I CA 1.205 62.553 61.300 0.081 0.000 1.327 805 I CB -0.337 37.705 38.000 0.071 0.000 1.034 805 I HN 0.104 nan 8.210 nan 0.000 0.405 806 A N -1.189 121.677 122.820 0.077 0.000 2.125 806 A HA -0.181 4.132 4.320 -0.013 0.000 0.219 806 A C 2.225 179.842 177.584 0.055 0.000 1.156 806 A CA 2.123 54.194 52.037 0.057 0.000 0.671 806 A CB -0.584 18.453 19.000 0.063 0.000 0.794 806 A HN 0.408 nan 8.150 nan 0.000 0.459 807 T N -0.998 113.603 114.554 0.079 0.000 3.085 807 T HA 0.119 4.462 4.350 -0.013 0.000 0.264 807 T C 1.532 176.311 174.700 0.132 0.000 1.019 807 T CA 0.736 62.886 62.100 0.083 0.000 0.910 807 T CB -0.375 68.543 68.868 0.084 0.000 1.059 807 T HN 0.622 nan 8.240 nan 0.000 0.542 808 S N -0.706 115.095 115.700 0.168 0.000 2.558 808 S HA 0.167 4.630 4.470 -0.013 0.000 0.217 808 S C 2.315 177.030 174.600 0.192 0.000 0.975 808 S CA 0.569 58.943 58.200 0.291 0.000 0.912 808 S CB -0.411 62.947 63.200 0.265 0.000 0.776 808 S HN 0.441 nan 8.310 nan 0.000 0.526 809 G N 2.974 111.820 108.800 0.076 0.000 2.597 809 G HA2 -0.367 3.586 3.960 -0.013 0.000 0.222 809 G HA3 -0.367 3.586 3.960 -0.013 0.000 0.222 809 G C 1.319 176.179 174.900 -0.067 0.000 1.135 809 G CA 1.250 46.365 45.100 0.026 0.000 0.759 809 G HN 0.584 nan 8.290 nan 0.000 0.595 810 K N -0.196 120.053 120.400 -0.251 0.000 2.360 810 K HA -0.055 4.258 4.320 -0.013 0.000 0.201 810 K C 0.907 177.187 176.600 -0.533 0.000 1.046 810 K CA 0.607 56.616 56.287 -0.463 0.000 0.940 810 K CB -0.231 31.839 32.500 -0.717 0.000 0.748 810 K HN 0.379 nan 8.250 nan 0.000 0.465 811 F N 0.874 120.856 119.950 0.052 0.000 2.713 811 F HA 0.151 4.670 4.527 -0.013 0.000 0.294 811 F C 0.722 176.569 175.800 0.077 0.000 1.152 811 F CA -0.373 57.665 58.000 0.062 0.000 1.385 811 F CB 0.157 39.191 39.000 0.057 0.000 0.981 811 F HN -0.146 nan 8.300 nan 0.000 0.514 812 S N -0.181 115.607 115.700 0.147 0.000 2.525 812 S HA 0.194 4.656 4.470 -0.013 0.000 0.278 812 S C 1.341 176.026 174.600 0.142 0.000 1.234 812 S CA -0.240 58.044 58.200 0.141 0.000 1.058 812 S CB 1.029 64.283 63.200 0.089 0.000 0.983 812 S HN 0.279 nan 8.310 nan 0.000 0.495 813 S N 3.111 118.918 115.700 0.179 0.000 2.500 813 S HA -0.081 4.381 4.470 -0.013 0.000 0.239 813 S C 0.875 175.529 174.600 0.088 0.000 0.989 813 S CA 0.725 59.047 58.200 0.202 0.000 0.951 813 S CB -0.394 62.992 63.200 0.311 0.000 0.759 813 S HN 0.795 nan 8.310 nan 0.000 0.523 814 D N 1.728 122.168 120.400 0.065 0.000 2.144 814 D HA -0.050 4.582 4.640 -0.013 0.000 0.200 814 D C 2.091 178.398 176.300 0.012 0.000 0.978 814 D CA 0.670 54.688 54.000 0.029 0.000 0.833 814 D CB -0.276 40.540 40.800 0.026 0.000 0.961 814 D HN 0.281 nan 8.370 nan 0.000 0.470 815 R N 0.728 121.238 120.500 0.017 0.000 2.066 815 R HA -0.076 4.257 4.340 -0.013 0.000 0.232 815 R C 1.853 178.148 176.300 -0.009 0.000 1.131 815 R CA 1.324 57.420 56.100 -0.006 0.000 0.955 815 R CB -0.633 29.653 30.300 -0.024 0.000 0.851 815 R HN 0.120 nan 8.270 nan 0.000 0.432 816 T N 2.185 116.756 114.554 0.028 0.000 2.652 816 T HA -0.118 4.224 4.350 -0.013 0.000 0.267 816 T C 1.944 176.657 174.700 0.021 0.000 1.039 816 T CA 1.308 63.442 62.100 0.057 0.000 1.153 816 T CB -0.133 68.839 68.868 0.174 0.000 0.863 816 T HN 0.086 nan 8.240 nan 0.000 0.428 817 I N 1.907 122.413 120.570 -0.106 0.000 2.226 817 I HA -0.101 4.061 4.170 -0.013 0.000 0.245 817 I C 2.950 179.035 176.117 -0.054 0.000 1.100 817 I CA 0.966 62.172 61.300 -0.156 0.000 1.374 817 I CB -1.726 36.185 38.000 -0.148 0.000 1.057 817 I HN 0.201 nan 8.210 nan 0.000 0.413 818 A N -0.030 122.772 122.820 -0.030 0.000 1.978 818 A HA -0.249 4.063 4.320 -0.013 0.000 0.220 818 A C 2.273 179.820 177.584 -0.061 0.000 1.170 818 A CA 1.573 53.598 52.037 -0.020 0.000 0.636 818 A CB -0.582 18.409 19.000 -0.015 0.000 0.810 818 A HN 0.528 nan 8.150 nan 0.000 0.448 819 Q N -2.092 117.649 119.800 -0.097 0.000 2.083 819 Q HA -0.132 4.201 4.340 -0.013 0.000 0.198 819 Q C 1.906 177.736 176.000 -0.284 0.000 0.969 819 Q CA 1.452 57.154 55.803 -0.169 0.000 0.838 819 Q CB -0.232 28.391 28.738 -0.192 0.000 0.900 819 Q HN 0.823 nan 8.270 nan 0.000 0.436 820 Y N 0.481 120.499 120.300 -0.469 0.000 2.145 820 Y HA -0.278 4.265 4.550 -0.013 0.000 0.286 820 Y C 2.406 177.753 175.900 -0.922 0.000 1.145 820 Y CA 1.264 58.837 58.100 -0.878 0.000 1.148 820 Y CB -0.447 37.194 38.460 -1.365 0.000 0.981 820 Y HN 0.157 nan 8.280 nan 0.000 0.507 821 A N 0.514 123.129 122.820 -0.342 0.000 1.859 821 A HA -0.264 4.049 4.320 -0.013 0.000 0.217 821 A C 2.269 179.873 177.584 0.033 0.000 1.198 821 A CA 2.336 54.408 52.037 0.057 0.000 0.629 821 A CB -0.660 18.430 19.000 0.150 0.000 0.830 821 A HN 0.446 nan 8.150 nan 0.000 0.446 822 R N -0.583 119.899 120.500 -0.031 0.000 2.062 822 R HA -0.049 4.283 4.340 -0.013 0.000 0.229 822 R C 1.892 178.170 176.300 -0.036 0.000 1.128 822 R CA 1.490 57.581 56.100 -0.016 0.000 0.960 822 R CB -0.308 29.978 30.300 -0.025 0.000 0.855 822 R HN 0.666 nan 8.270 nan 0.000 0.432 823 E N -0.215 119.923 120.200 -0.104 0.000 2.478 823 E HA 0.066 4.409 4.350 -0.013 0.000 0.194 823 E C 1.385 177.933 176.600 -0.088 0.000 1.045 823 E CA 0.508 56.850 56.400 -0.097 0.000 0.868 823 E CB 0.437 30.053 29.700 -0.139 0.000 0.885 823 E HN 0.370 nan 8.360 nan 0.000 0.505 824 I N -1.537 118.952 120.570 -0.134 0.000 3.878 824 I HA 0.022 4.184 4.170 -0.013 0.000 0.273 824 I C 1.308 177.550 176.117 0.208 0.000 1.165 824 I CA -0.122 61.151 61.300 -0.044 0.000 1.360 824 I CB 0.118 37.947 38.000 -0.286 0.000 1.539 824 I HN 0.108 nan 8.210 nan 0.000 0.447 825 W N 1.816 123.210 121.300 0.156 0.000 2.518 825 W HA 0.259 4.912 4.660 -0.012 0.000 0.273 825 W C 1.571 178.130 176.519 0.066 0.000 1.247 825 W CA 1.106 58.524 57.345 0.122 0.000 1.288 825 W CB -1.048 28.471 29.460 0.098 0.000 1.107 825 W HN 0.357 nan 8.180 nan 0.000 0.586 826 G N 0.749 109.694 108.800 0.241 0.000 2.212 826 G HA2 -0.095 3.858 3.960 -0.013 0.000 0.255 826 G HA3 -0.095 3.858 3.960 -0.013 0.000 0.255 826 G C -0.332 174.645 174.900 0.129 0.000 1.062 826 G CA 0.140 45.323 45.100 0.138 0.000 0.815 826 G HN 0.431 nan 8.290 nan 0.000 0.497 827 V N -4.321 115.688 119.914 0.159 0.000 2.962 827 V HA 0.930 5.042 4.120 -0.013 0.000 0.313 827 V C -0.429 175.725 176.094 0.101 0.000 1.099 827 V CA -1.649 60.724 62.300 0.122 0.000 0.971 827 V CB 2.359 34.265 31.823 0.139 0.000 1.028 827 V HN 0.120 nan 8.190 nan 0.000 0.430 828 E N 3.518 123.761 120.200 0.071 0.000 2.133 828 E HA 0.521 4.864 4.350 -0.013 0.000 0.274 828 E C -2.526 174.108 176.600 0.057 0.000 0.930 828 E CA -1.752 54.682 56.400 0.057 0.000 0.770 828 E CB 1.889 31.614 29.700 0.042 0.000 1.104 828 E HN 0.755 nan 8.360 nan 0.000 0.403 829 P HA 0.067 nan 4.420 nan 0.000 0.270 829 P C -0.490 176.835 177.300 0.042 0.000 1.223 829 P CA -0.250 62.881 63.100 0.052 0.000 0.785 829 P CB 0.819 32.546 31.700 0.045 0.000 0.923 830 S N 0.893 116.619 115.700 0.042 0.000 2.572 830 S HA 0.339 4.802 4.470 -0.013 0.000 0.274 830 S C -0.057 174.563 174.600 0.034 0.000 1.150 830 S CA -0.886 57.337 58.200 0.038 0.000 0.944 830 S CB 1.185 64.411 63.200 0.043 0.000 1.071 830 S HN 0.304 nan 8.310 nan 0.000 0.479 831 R N 2.737 123.255 120.500 0.029 0.000 2.893 831 R HA 0.219 4.552 4.340 -0.013 0.000 0.317 831 R C -0.252 176.058 176.300 0.017 0.000 1.239 831 R CA -0.096 56.021 56.100 0.027 0.000 1.128 831 R CB 0.210 30.528 30.300 0.030 0.000 1.377 831 R HN 0.658 nan 8.270 nan 0.000 0.583 832 Q N 0.961 120.770 119.800 0.014 0.000 2.274 832 Q HA 0.214 4.546 4.340 -0.013 0.000 0.256 832 Q C -0.409 175.582 176.000 -0.014 0.000 0.927 832 Q CA -0.506 55.299 55.803 0.004 0.000 0.939 832 Q CB 1.448 30.193 28.738 0.011 0.000 1.201 832 Q HN -0.097 nan 8.270 nan 0.000 0.426 833 R N 1.783 122.269 120.500 -0.024 0.000 2.484 833 R HA 0.040 4.372 4.340 -0.013 0.000 0.293 833 R C -0.517 175.749 176.300 -0.057 0.000 1.023 833 R CA -0.151 55.924 56.100 -0.043 0.000 1.037 833 R CB 0.079 30.354 30.300 -0.042 0.000 0.951 833 R HN 0.416 nan 8.270 nan 0.000 0.418 834 L N 6.731 127.905 121.223 -0.082 0.000 2.461 834 L HA 0.178 4.510 4.340 -0.013 0.000 0.272 834 L C -1.652 175.165 176.870 -0.088 0.000 1.197 834 L CA -1.786 52.977 54.840 -0.128 0.000 0.836 834 L CB 0.452 42.409 42.059 -0.170 0.000 1.105 834 L HN 0.612 nan 8.230 nan 0.000 0.477 835 P HA 0.020 nan 4.420 nan 0.000 0.208 835 P C 0.023 177.305 177.300 -0.031 0.000 1.341 835 P CA 0.704 63.780 63.100 -0.040 0.000 1.235 835 P CB -0.682 31.006 31.700 -0.021 0.000 1.764 836 A N 4.554 127.355 122.820 -0.032 0.000 6.759 836 A HA -0.176 4.137 4.320 -0.013 0.000 0.308 836 A C -1.367 176.209 177.584 -0.015 0.000 2.086 836 A CA 0.471 52.496 52.037 -0.021 0.000 1.123 836 A CB -1.888 17.106 19.000 -0.010 0.000 1.078 836 A HN 0.366 nan 8.150 nan 0.000 0.457 837 P HA 0.177 nan 4.420 nan 0.000 0.244 837 P C 0.110 177.420 177.300 0.017 0.000 1.191 837 P CA 0.574 63.683 63.100 0.014 0.000 0.829 837 P CB -0.366 31.354 31.700 0.032 0.000 1.008 838 D N 1.848 122.257 120.400 0.014 0.000 5.561 838 D HA -0.191 4.441 4.640 -0.013 0.000 0.166 838 D C 1.464 177.771 176.300 0.012 0.000 1.127 838 D CA 0.771 54.779 54.000 0.014 0.000 0.720 838 D CB 0.183 40.988 40.800 0.009 0.000 1.322 838 D HN 0.091 nan 8.370 nan 0.000 0.745 839 E N 2.974 123.181 120.200 0.012 0.000 2.840 839 E HA -0.443 3.900 4.350 -0.013 0.000 0.222 839 E C 0.167 176.771 176.600 0.007 0.000 0.868 839 E CA 2.744 59.148 56.400 0.007 0.000 1.266 839 E CB -0.249 29.453 29.700 0.004 0.000 1.318 839 E HN 0.891 nan 8.360 nan 0.000 0.486 840 K N -0.587 119.816 120.400 0.005 0.000 7.396 840 K HA -0.164 4.148 4.320 -0.013 0.000 0.647 840 K C -0.622 175.979 176.600 0.002 0.000 2.584 840 K CA 1.243 57.533 56.287 0.005 0.000 1.938 840 K CB -0.667 31.839 32.500 0.009 0.000 1.962 840 K HN 0.330 nan 8.250 nan 0.000 0.295 841 I N 3.400 123.970 120.570 -0.000 0.000 2.642 841 I HA 0.296 4.459 4.170 -0.013 0.000 0.273 841 I C -1.964 174.151 176.117 -0.003 0.000 1.208 841 I CA -1.572 59.726 61.300 -0.004 0.000 1.037 841 I CB 0.399 38.394 38.000 -0.008 0.000 1.253 841 I HN 0.936 nan 8.210 nan 0.000 0.504 842 P HA 0.000 nan 4.420 nan 0.000 0.216 842 P CA 0.000 63.100 63.100 0.001 0.000 0.800 842 P CB 0.000 31.704 31.700 0.007 0.000 0.726