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 1wuy_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 SSXXXXXXXX XTNFDAFPDK 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 RLPAP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 I HA 0.000 nan 4.170 nan 0.000 0.288 13 I C 0.000 176.106 176.117 -0.018 0.000 1.063 13 I CA 0.000 61.280 61.300 -0.033 0.000 1.566 13 I CB 0.000 37.972 38.000 -0.047 0.000 1.214 14 S N 0.425 116.119 115.700 -0.010 0.000 2.700 14 S HA 0.077 4.541 4.470 -0.011 0.000 0.250 14 S C 0.365 174.967 174.600 0.005 0.000 1.355 14 S CA -0.280 57.922 58.200 0.003 0.000 0.970 14 S CB 0.436 63.642 63.200 0.010 0.000 0.975 14 S HN 0.614 nan 8.310 nan 0.000 0.563 15 V N 2.090 122.014 119.914 0.016 0.000 2.847 15 V HA 0.200 4.314 4.120 -0.011 0.000 0.364 15 V C 0.626 176.730 176.094 0.016 0.000 1.374 15 V CA -0.242 62.068 62.300 0.018 0.000 1.542 15 V CB -1.174 30.669 31.823 0.033 0.000 1.471 15 V HN 0.557 nan 8.190 nan 0.000 0.557 16 R N 1.950 122.452 120.500 0.004 0.000 2.480 16 R HA 0.455 4.789 4.340 -0.011 0.000 0.277 16 R C 0.857 177.150 176.300 -0.012 0.000 1.008 16 R CA 0.517 56.617 56.100 0.000 0.000 1.090 16 R CB 0.370 30.666 30.300 -0.006 0.000 1.234 16 R HN 0.664 nan 8.270 nan 0.000 0.549 17 G N 0.753 109.545 108.800 -0.013 0.000 2.566 17 G HA2 -0.187 3.767 3.960 -0.011 0.000 0.599 17 G HA3 -0.187 3.767 3.960 -0.011 0.000 0.599 17 G C -1.263 173.622 174.900 -0.025 0.000 1.292 17 G CA -1.080 44.005 45.100 -0.026 0.000 0.922 17 G HN 0.013 nan 8.290 nan 0.000 0.514 18 L N 0.577 121.783 121.223 -0.029 0.000 2.334 18 L HA 0.740 5.073 4.340 -0.011 0.000 0.277 18 L C 1.244 178.098 176.870 -0.025 0.000 1.075 18 L CA 0.005 54.831 54.840 -0.024 0.000 0.804 18 L CB 1.244 43.290 42.059 -0.021 0.000 1.174 18 L HN 1.545 nan 8.230 nan 0.000 0.438 19 A N 2.646 125.453 122.820 -0.022 0.000 3.175 19 A HA 0.572 4.886 4.320 -0.011 0.000 0.289 19 A C 0.780 178.358 177.584 -0.011 0.000 1.429 19 A CA -0.290 51.735 52.037 -0.019 0.000 1.155 19 A CB -0.734 18.252 19.000 -0.023 0.000 1.169 19 A HN 0.780 nan 8.150 nan 0.000 0.574 20 G N -0.193 108.601 108.800 -0.009 0.000 2.474 20 G HA2 0.290 4.243 3.960 -0.011 0.000 0.233 20 G HA3 0.290 4.243 3.960 -0.011 0.000 0.233 20 G C 1.023 175.926 174.900 0.006 0.000 1.278 20 G CA 0.066 45.165 45.100 -0.001 0.000 0.861 20 G HN 0.442 nan 8.290 nan 0.000 0.567 21 V N 1.978 121.897 119.914 0.008 0.000 2.295 21 V HA -0.168 3.946 4.120 -0.011 0.000 0.246 21 V C 2.691 178.796 176.094 0.018 0.000 1.049 21 V CA 2.414 64.721 62.300 0.012 0.000 1.024 21 V CB -0.680 31.149 31.823 0.011 0.000 0.648 21 V HN 0.778 nan 8.190 nan 0.000 0.447 22 E N 0.288 120.500 120.200 0.020 0.000 2.106 22 E HA -0.170 4.173 4.350 -0.011 0.000 0.192 22 E C 2.052 178.675 176.600 0.038 0.000 0.984 22 E CA 1.417 57.833 56.400 0.027 0.000 0.806 22 E CB -0.284 29.431 29.700 0.025 0.000 0.750 22 E HN 0.641 nan 8.360 nan 0.000 0.458 23 N N -1.158 117.562 118.700 0.035 0.000 2.331 23 N HA -0.082 4.652 4.740 -0.011 0.000 0.180 23 N C 1.308 176.845 175.510 0.045 0.000 1.019 23 N CA 0.457 53.535 53.050 0.046 0.000 0.881 23 N CB 0.330 38.833 38.487 0.027 0.000 0.972 23 N HN -0.039 nan 8.380 nan 0.000 0.435 24 V N -0.272 119.661 119.914 0.031 0.000 2.591 24 V HA -0.127 3.987 4.120 -0.011 0.000 0.249 24 V C 1.885 178.003 176.094 0.041 0.000 1.053 24 V CA 1.503 63.821 62.300 0.029 0.000 1.068 24 V CB -0.438 31.397 31.823 0.020 0.000 0.689 24 V HN 0.375 nan 8.190 nan 0.000 0.462 25 T N -0.356 114.224 114.554 0.043 0.000 2.770 25 T HA -0.175 4.169 4.350 -0.011 0.000 0.263 25 T C 1.898 176.637 174.700 0.065 0.000 1.039 25 T CA 1.646 63.773 62.100 0.046 0.000 1.142 25 T CB -0.114 68.777 68.868 0.037 0.000 0.868 25 T HN 0.482 nan 8.240 nan 0.000 0.435 26 E N 0.841 121.086 120.200 0.074 0.000 2.085 26 E HA -0.109 4.234 4.350 -0.011 0.000 0.194 26 E C 1.938 178.620 176.600 0.137 0.000 0.994 26 E CA 0.830 57.287 56.400 0.096 0.000 0.801 26 E CB -0.488 29.275 29.700 0.104 0.000 0.743 26 E HN 0.144 nan 8.360 nan 0.000 0.453 27 L N 0.876 122.185 121.223 0.144 0.000 2.012 27 L HA -0.137 4.196 4.340 -0.011 0.000 0.210 27 L C 2.140 179.125 176.870 0.191 0.000 1.073 27 L CA 1.844 56.794 54.840 0.182 0.000 0.748 27 L CB -0.807 41.324 42.059 0.119 0.000 0.891 27 L HN 0.102 nan 8.230 nan 0.000 0.431 28 K N -0.156 120.320 120.400 0.126 0.000 2.026 28 K HA -0.209 4.105 4.320 -0.011 0.000 0.208 28 K C 1.952 178.670 176.600 0.197 0.000 1.048 28 K CA 1.847 58.209 56.287 0.125 0.000 0.929 28 K CB -0.104 32.428 32.500 0.054 0.000 0.713 28 K HN 0.417 nan 8.250 nan 0.000 0.439 29 K N 0.191 120.680 120.400 0.149 0.000 2.211 29 K HA -0.034 4.280 4.320 -0.011 0.000 0.203 29 K C 1.585 178.282 176.600 0.161 0.000 1.050 29 K CA 1.237 57.606 56.287 0.136 0.000 0.945 29 K CB -0.080 32.472 32.500 0.086 0.000 0.732 29 K HN 0.037 nan 8.250 nan 0.000 0.451 30 N N 0.487 119.302 118.700 0.192 0.000 2.300 30 N HA -0.073 4.661 4.740 -0.011 0.000 0.179 30 N C 1.491 177.191 175.510 0.316 0.000 1.016 30 N CA 0.778 53.949 53.050 0.202 0.000 0.876 30 N CB -0.129 38.491 38.487 0.222 0.000 0.979 30 N HN 0.204 nan 8.380 nan 0.000 0.432 31 F N 2.469 122.536 119.950 0.195 0.000 2.146 31 F HA -0.036 4.485 4.527 -0.011 0.000 0.298 31 F C 1.933 177.855 175.800 0.204 0.000 1.096 31 F CA 1.184 59.310 58.000 0.210 0.000 1.275 31 F CB -0.117 38.973 39.000 0.150 0.000 1.008 31 F HN -0.055 nan 8.300 nan 0.000 0.480 32 N N 0.412 119.319 118.700 0.346 0.000 2.270 32 N HA -0.133 4.600 4.740 -0.011 0.000 0.181 32 N C 2.078 177.669 175.510 0.136 0.000 1.016 32 N CA 0.616 53.795 53.050 0.216 0.000 0.870 32 N CB -0.463 38.152 38.487 0.213 0.000 0.979 32 N HN 0.305 nan 8.380 nan 0.000 0.431 33 R N 0.693 121.275 120.500 0.136 0.000 2.080 33 R HA -0.106 4.228 4.340 -0.011 0.000 0.236 33 R C 1.717 178.093 176.300 0.126 0.000 1.137 33 R CA 1.499 57.693 56.100 0.156 0.000 0.943 33 R CB -0.473 29.819 30.300 -0.014 0.000 0.846 33 R HN 0.426 nan 8.270 nan 0.000 0.431 34 H N -0.197 118.918 119.070 0.075 0.000 2.387 34 H HA -0.133 4.416 4.556 -0.011 0.000 0.299 34 H C 1.844 177.115 175.328 -0.095 0.000 1.090 34 H CA 1.491 57.521 56.048 -0.031 0.000 1.332 34 H CB -0.035 29.675 29.762 -0.087 0.000 1.386 34 H HN 0.078 nan 8.280 nan 0.000 0.516 35 L N -0.061 121.138 121.223 -0.040 0.000 2.079 35 L HA -0.197 4.137 4.340 -0.011 0.000 0.210 35 L C 2.177 179.022 176.870 -0.043 0.000 1.081 35 L CA 1.867 56.647 54.840 -0.101 0.000 0.752 35 L CB -0.449 41.536 42.059 -0.123 0.000 0.896 35 L HN 0.307 nan 8.230 nan 0.000 0.433 36 H N -1.771 117.231 119.070 -0.114 0.000 2.276 36 H HA -0.060 4.490 4.556 -0.011 0.000 0.307 36 H C 1.848 176.989 175.328 -0.310 0.000 1.061 36 H CA 2.249 58.150 56.048 -0.245 0.000 1.336 36 H CB -0.319 29.232 29.762 -0.352 0.000 1.396 36 H HN 0.276 nan 8.280 nan 0.000 0.503 37 F N -0.234 119.691 119.950 -0.041 0.000 2.206 37 F HA -0.068 4.453 4.527 -0.011 0.000 0.298 37 F C 2.612 178.323 175.800 -0.149 0.000 1.090 37 F CA 1.541 59.471 58.000 -0.116 0.000 1.323 37 F CB -0.414 38.544 39.000 -0.071 0.000 1.028 37 F HN 0.197 nan 8.300 nan 0.000 0.492 38 T N -0.348 114.228 114.554 0.036 0.000 2.901 38 T HA 0.015 4.358 4.350 -0.011 0.000 0.252 38 T C 1.640 176.252 174.700 -0.147 0.000 1.035 38 T CA 0.683 62.734 62.100 -0.082 0.000 1.142 38 T CB -0.163 68.628 68.868 -0.128 0.000 0.869 38 T HN -0.063 nan 8.240 nan 0.000 0.442 39 L N 1.276 122.417 121.223 -0.138 0.000 2.567 39 L HA 0.282 4.616 4.340 -0.011 0.000 0.225 39 L C 0.989 177.762 176.870 -0.163 0.000 1.119 39 L CA 0.230 54.977 54.840 -0.155 0.000 0.871 39 L CB -0.920 41.058 42.059 -0.136 0.000 1.036 39 L HN 0.077 nan 8.230 nan 0.000 0.459 40 V N -0.940 118.856 119.914 -0.197 0.000 4.253 40 V HA -0.333 3.780 4.120 -0.011 0.000 0.233 40 V C 0.995 176.957 176.094 -0.221 0.000 0.511 40 V CA 1.108 63.253 62.300 -0.259 0.000 0.872 40 V CB -2.075 29.628 31.823 -0.200 0.000 0.899 40 V HN 0.393 nan 8.190 nan 0.000 1.196 41 K N 0.624 120.914 120.400 -0.183 0.000 2.280 41 K HA 0.639 4.953 4.320 -0.011 0.000 0.234 41 K C -0.217 176.336 176.600 -0.079 0.000 1.028 41 K CA -0.645 55.565 56.287 -0.129 0.000 0.882 41 K CB 2.177 34.600 32.500 -0.128 0.000 1.194 41 K HN 0.424 nan 8.250 nan 0.000 0.458 42 D N 0.584 120.962 120.400 -0.038 0.000 2.738 42 D HA 0.176 4.809 4.640 -0.011 0.000 0.237 42 D C 0.593 176.918 176.300 0.041 0.000 1.123 42 D CA -0.398 53.616 54.000 0.024 0.000 0.856 42 D CB 1.302 42.113 40.800 0.018 0.000 1.552 42 D HN 0.236 nan 8.370 nan 0.000 0.480 43 R N 2.114 122.674 120.500 0.100 0.000 2.228 43 R HA -0.173 4.161 4.340 -0.011 0.000 0.259 43 R C 1.130 177.503 176.300 0.123 0.000 1.183 43 R CA 1.127 57.325 56.100 0.162 0.000 1.002 43 R CB -0.653 29.744 30.300 0.162 0.000 0.879 43 R HN 0.572 nan 8.270 nan 0.000 0.467 44 N N 0.379 119.120 118.700 0.068 0.000 2.494 44 N HA -0.057 4.676 4.740 -0.011 0.000 0.182 44 N C 1.310 176.838 175.510 0.029 0.000 1.076 44 N CA 1.273 54.352 53.050 0.049 0.000 0.908 44 N CB 0.471 38.977 38.487 0.032 0.000 0.967 44 N HN 0.223 nan 8.380 nan 0.000 0.449 45 V N -3.191 116.726 119.914 0.005 0.000 3.337 45 V HA 0.482 4.595 4.120 -0.011 0.000 0.307 45 V C 0.628 176.683 176.094 -0.066 0.000 1.505 45 V CA -0.696 61.591 62.300 -0.021 0.000 1.072 45 V CB -0.157 31.649 31.823 -0.028 0.000 0.929 45 V HN 0.014 nan 8.190 nan 0.000 0.455 46 A N 2.207 124.964 122.820 -0.106 0.000 2.488 46 A HA 0.579 4.892 4.320 -0.011 0.000 0.249 46 A C 0.775 178.169 177.584 -0.317 0.000 1.083 46 A CA 0.829 52.683 52.037 -0.306 0.000 0.768 46 A CB -0.104 18.569 19.000 -0.545 0.000 1.017 46 A HN 0.777 nan 8.150 nan 0.000 0.496 47 T N 0.661 115.044 114.554 -0.286 0.000 2.934 47 T HA 0.535 4.878 4.350 -0.011 0.000 0.283 47 T C -2.087 172.530 174.700 -0.139 0.000 1.005 47 T CA -1.815 60.205 62.100 -0.134 0.000 1.041 47 T CB 1.241 70.073 68.868 -0.059 0.000 1.042 47 T HN 0.281 nan 8.240 nan 0.000 0.505 48 P HA -0.114 nan 4.420 nan 0.000 0.217 48 P C 1.528 178.940 177.300 0.186 0.000 1.148 48 P CA 0.879 64.120 63.100 0.236 0.000 0.828 48 P CB 0.045 31.852 31.700 0.179 0.000 0.783 49 R N 0.037 120.594 120.500 0.095 0.000 2.115 49 R HA -0.114 4.220 4.340 -0.011 0.000 0.230 49 R C 1.707 178.165 176.300 0.265 0.000 1.111 49 R CA 1.647 57.839 56.100 0.153 0.000 0.976 49 R CB -0.919 29.420 30.300 0.064 0.000 0.870 49 R HN 0.086 nan 8.270 nan 0.000 0.445 50 D N -0.585 119.859 120.400 0.074 0.000 2.123 50 D HA -0.149 4.485 4.640 -0.011 0.000 0.200 50 D C 1.524 177.840 176.300 0.026 0.000 0.976 50 D CA 1.201 55.205 54.000 0.006 0.000 0.831 50 D CB -0.227 40.427 40.800 -0.242 0.000 0.974 50 D HN 0.263 nan 8.370 nan 0.000 0.469 51 Y N 0.322 120.718 120.300 0.160 0.000 2.181 51 Y HA -0.225 4.319 4.550 -0.011 0.000 0.288 51 Y C 2.343 178.374 175.900 0.219 0.000 1.146 51 Y CA 0.433 58.675 58.100 0.236 0.000 1.164 51 Y CB -1.132 37.520 38.460 0.320 0.000 0.982 51 Y HN 0.100 nan 8.280 nan 0.000 0.515 52 Y N -0.690 119.749 120.300 0.232 0.000 2.224 52 Y HA -0.247 4.296 4.550 -0.011 0.000 0.289 52 Y C 1.865 177.730 175.900 -0.059 0.000 1.146 52 Y CA 1.142 59.272 58.100 0.050 0.000 1.182 52 Y CB -1.056 37.329 38.460 -0.125 0.000 0.983 52 Y HN 0.065 nan 8.280 nan 0.000 0.524 53 F N -0.037 119.664 119.950 -0.416 0.000 2.206 53 F HA -0.035 4.485 4.527 -0.011 0.000 0.298 53 F C 2.606 178.249 175.800 -0.262 0.000 1.090 53 F CA 0.964 58.683 58.000 -0.468 0.000 1.323 53 F CB -0.610 38.290 39.000 -0.166 0.000 1.028 53 F HN 0.171 nan 8.300 nan 0.000 0.492 54 A N -0.120 122.662 122.820 -0.063 0.000 1.902 54 A HA -0.180 4.134 4.320 -0.011 0.000 0.217 54 A C 2.034 179.550 177.584 -0.113 0.000 1.181 54 A CA 1.512 53.409 52.037 -0.233 0.000 0.623 54 A CB -0.945 17.567 19.000 -0.813 0.000 0.818 54 A HN 0.345 nan 8.150 nan 0.000 0.443 55 L N -0.296 120.973 121.223 0.076 0.000 2.027 55 L HA 0.008 4.342 4.340 -0.011 0.000 0.206 55 L C 2.717 179.592 176.870 0.009 0.000 1.074 55 L CA 2.154 57.135 54.840 0.235 0.000 0.745 55 L CB -0.914 41.332 42.059 0.311 0.000 0.898 55 L HN 0.336 nan 8.230 nan 0.000 0.433 56 A N -1.211 121.456 122.820 -0.256 0.000 1.892 56 A HA -0.310 4.004 4.320 -0.011 0.000 0.218 56 A C 2.165 179.433 177.584 -0.527 0.000 1.188 56 A CA 2.167 53.947 52.037 -0.430 0.000 0.631 56 A CB -1.171 17.272 19.000 -0.928 0.000 0.822 56 A HN 0.694 nan 8.150 nan 0.000 0.447 57 H N -0.949 117.835 119.070 -0.477 0.000 2.423 57 H HA -0.050 4.500 4.556 -0.011 0.000 0.297 57 H C 2.317 177.351 175.328 -0.490 0.000 1.075 57 H CA 1.925 57.612 56.048 -0.602 0.000 1.342 57 H CB -0.041 29.148 29.762 -0.954 0.000 1.395 57 H HN 0.489 nan 8.280 nan 0.000 0.530 58 T N -0.518 113.943 114.554 -0.155 0.000 2.777 58 T HA -0.109 4.235 4.350 -0.011 0.000 0.266 58 T C 2.230 177.089 174.700 0.265 0.000 1.040 58 T CA 1.218 63.410 62.100 0.154 0.000 1.141 58 T CB -0.316 68.731 68.868 0.297 0.000 0.868 58 T HN 0.096 nan 8.240 nan 0.000 0.444 59 V N 1.703 121.748 119.914 0.219 0.000 2.453 59 V HA -0.091 4.023 4.120 -0.011 0.000 0.247 59 V C 2.626 178.907 176.094 0.313 0.000 1.048 59 V CA 1.470 63.945 62.300 0.291 0.000 1.049 59 V CB -0.612 31.378 31.823 0.279 0.000 0.672 59 V HN 0.381 nan 8.190 nan 0.000 0.457 60 R N 0.210 120.847 120.500 0.228 0.000 2.120 60 R HA -0.193 4.141 4.340 -0.011 0.000 0.234 60 R C 1.866 178.275 176.300 0.181 0.000 1.123 60 R CA 1.863 58.105 56.100 0.237 0.000 0.975 60 R CB -0.386 29.910 30.300 -0.006 0.000 0.866 60 R HN 0.427 nan 8.270 nan 0.000 0.446 61 D N 0.081 120.564 120.400 0.138 0.000 2.182 61 D HA -0.162 4.471 4.640 -0.011 0.000 0.201 61 D C 1.641 177.950 176.300 0.015 0.000 0.986 61 D CA 1.082 55.132 54.000 0.082 0.000 0.847 61 D CB -0.291 40.547 40.800 0.063 0.000 0.942 61 D HN 0.433 nan 8.370 nan 0.000 0.467 62 H N -0.332 118.803 119.070 0.108 0.000 2.524 62 H HA 0.016 4.566 4.556 -0.011 0.000 0.282 62 H C 1.992 177.362 175.328 0.069 0.000 1.016 62 H CA 0.682 56.778 56.048 0.080 0.000 1.270 62 H CB 0.408 30.210 29.762 0.066 0.000 1.394 62 H HN 0.285 nan 8.280 nan 0.000 0.568 63 L N -1.415 119.914 121.223 0.176 0.000 2.664 63 L HA 0.146 4.479 4.340 -0.011 0.000 0.233 63 L C 2.206 179.182 176.870 0.177 0.000 1.113 63 L CA 0.099 55.013 54.840 0.122 0.000 0.896 63 L CB -0.326 41.758 42.059 0.041 0.000 1.163 63 L HN -0.116 nan 8.230 nan 0.000 0.497 64 V N -1.235 118.807 119.914 0.214 0.000 2.343 64 V HA -0.050 4.064 4.120 -0.011 0.000 0.247 64 V C 2.533 178.746 176.094 0.198 0.000 1.051 64 V CA 1.849 64.322 62.300 0.288 0.000 1.036 64 V CB -1.904 30.046 31.823 0.213 0.000 0.654 64 V HN 0.380 nan 8.190 nan 0.000 0.451 65 G N 0.119 108.988 108.800 0.116 0.000 2.440 65 G HA2 -0.248 3.706 3.960 -0.011 0.000 0.218 65 G HA3 -0.248 3.706 3.960 -0.011 0.000 0.218 65 G C 1.809 176.756 174.900 0.080 0.000 1.154 65 G CA 1.042 46.185 45.100 0.072 0.000 0.767 65 G HN 0.519 nan 8.290 nan 0.000 0.552 66 R N -1.554 119.003 120.500 0.095 0.000 2.090 66 R HA -0.025 4.308 4.340 -0.011 0.000 0.228 66 R C 2.245 178.627 176.300 0.136 0.000 1.110 66 R CA 0.801 56.944 56.100 0.073 0.000 0.973 66 R CB -0.317 30.007 30.300 0.041 0.000 0.869 66 R HN 0.461 nan 8.270 nan 0.000 0.440 67 W N 1.584 122.865 121.300 -0.032 0.000 2.335 67 W HA -0.125 4.528 4.660 -0.010 0.000 0.311 67 W C 1.661 178.150 176.519 -0.049 0.000 1.213 67 W CA 1.099 58.421 57.345 -0.038 0.000 1.274 67 W CB -0.624 28.833 29.460 -0.004 0.000 1.148 67 W HN -0.018 nan 8.180 nan 0.000 0.498 68 I N 0.778 121.409 120.570 0.103 0.000 2.226 68 I HA -0.346 3.818 4.170 -0.011 0.000 0.245 68 I C 2.614 178.719 176.117 -0.020 0.000 1.100 68 I CA 1.791 63.071 61.300 -0.034 0.000 1.374 68 I CB -0.489 37.493 38.000 -0.030 0.000 1.057 68 I HN -0.050 nan 8.210 nan 0.000 0.413 69 R N -0.124 120.377 120.500 0.003 0.000 2.115 69 R HA -0.047 4.286 4.340 -0.011 0.000 0.226 69 R C 2.093 178.364 176.300 -0.048 0.000 1.100 69 R CA 1.590 57.685 56.100 -0.009 0.000 0.980 69 R CB -1.210 29.083 30.300 -0.012 0.000 0.875 69 R HN 0.252 nan 8.270 nan 0.000 0.445 70 T N 1.683 116.182 114.554 -0.092 0.000 2.674 70 T HA -0.118 4.225 4.350 -0.011 0.000 0.265 70 T C 1.875 176.298 174.700 -0.461 0.000 1.039 70 T CA 1.268 63.202 62.100 -0.278 0.000 1.150 70 T CB -0.114 68.628 68.868 -0.210 0.000 0.864 70 T HN 0.181 nan 8.240 nan 0.000 0.427 71 Q N 1.078 120.747 119.800 -0.219 0.000 2.119 71 Q HA -0.130 4.203 4.340 -0.011 0.000 0.201 71 Q C 2.412 178.421 176.000 0.015 0.000 0.972 71 Q CA 1.501 57.242 55.803 -0.103 0.000 0.847 71 Q CB -0.543 28.177 28.738 -0.030 0.000 0.903 71 Q HN 0.828 nan 8.270 nan 0.000 0.433 72 Q N -0.674 119.135 119.800 0.015 0.000 2.172 72 Q HA -0.199 4.135 4.340 -0.011 0.000 0.200 72 Q C 1.843 177.940 176.000 0.162 0.000 0.964 72 Q CA 1.663 57.524 55.803 0.096 0.000 0.855 72 Q CB -0.416 28.356 28.738 0.056 0.000 0.918 72 Q HN 0.430 nan 8.270 nan 0.000 0.444 73 H N -0.208 118.850 119.070 -0.021 0.000 2.319 73 H HA -0.179 4.371 4.556 -0.011 0.000 0.299 73 H C 1.098 176.520 175.328 0.157 0.000 1.092 73 H CA 2.282 58.338 56.048 0.013 0.000 1.302 73 H CB -0.287 29.422 29.762 -0.089 0.000 1.373 73 H HN 0.369 nan 8.280 nan 0.000 0.497 74 Y N -1.018 119.340 120.300 0.098 0.000 2.333 74 Y HA -0.178 4.365 4.550 -0.011 0.000 0.290 74 Y C 2.345 178.274 175.900 0.047 0.000 1.144 74 Y CA 0.911 59.033 58.100 0.038 0.000 1.228 74 Y CB -1.256 37.288 38.460 0.139 0.000 0.985 74 Y HN 0.396 nan 8.280 nan 0.000 0.542 75 Y N 1.092 121.480 120.300 0.148 0.000 2.220 75 Y HA -0.113 4.431 4.550 -0.011 0.000 0.291 75 Y C 2.068 177.982 175.900 0.024 0.000 1.129 75 Y CA 1.486 59.636 58.100 0.083 0.000 1.161 75 Y CB -0.041 38.460 38.460 0.068 0.000 0.997 75 Y HN 0.023 nan 8.280 nan 0.000 0.522 76 E N 0.221 120.391 120.200 -0.051 0.000 2.028 76 E HA -0.149 4.195 4.350 -0.011 0.000 0.190 76 E C 1.946 178.434 176.600 -0.186 0.000 0.984 76 E CA 1.104 57.420 56.400 -0.140 0.000 0.800 76 E CB -0.139 29.550 29.700 -0.018 0.000 0.758 76 E HN 0.345 nan 8.360 nan 0.000 0.448 77 K N 0.729 121.006 120.400 -0.205 0.000 2.155 77 K HA -0.079 4.234 4.320 -0.011 0.000 0.203 77 K C 0.280 176.799 176.600 -0.135 0.000 1.052 77 K CA 0.597 56.771 56.287 -0.188 0.000 0.948 77 K CB -0.436 31.892 32.500 -0.286 0.000 0.728 77 K HN 0.080 nan 8.250 nan 0.000 0.448 78 D N 0.349 120.680 120.400 -0.115 0.000 2.746 78 D HA -0.098 4.535 4.640 -0.011 0.000 0.241 78 D C -2.355 173.904 176.300 -0.067 0.000 1.140 78 D CA 0.112 54.059 54.000 -0.088 0.000 0.707 78 D CB -0.293 40.427 40.800 -0.134 0.000 1.034 78 D HN 0.169 nan 8.370 nan 0.000 0.423 79 P HA 0.148 nan 4.420 nan 0.000 0.277 79 P C -0.169 177.075 177.300 -0.094 0.000 1.271 79 P CA -0.646 62.403 63.100 -0.086 0.000 0.795 79 P CB 0.625 32.256 31.700 -0.115 0.000 1.101 80 K N 0.891 121.237 120.400 -0.089 0.000 2.401 80 K HA 0.089 4.402 4.320 -0.011 0.000 0.278 80 K C -0.121 176.378 176.600 -0.169 0.000 1.018 80 K CA -0.086 56.142 56.287 -0.100 0.000 0.981 80 K CB 0.252 32.710 32.500 -0.070 0.000 0.933 80 K HN 0.240 nan 8.250 nan 0.000 0.477 81 R N 3.555 123.933 120.500 -0.203 0.000 2.368 81 R HA 0.356 4.689 4.340 -0.011 0.000 0.302 81 R C -0.606 175.376 176.300 -0.530 0.000 1.002 81 R CA -0.486 55.407 56.100 -0.346 0.000 0.929 81 R CB 0.875 30.968 30.300 -0.345 0.000 1.073 81 R HN 0.505 nan 8.270 nan 0.000 0.464 82 I N 4.545 124.770 120.570 -0.575 0.000 2.339 82 I HA 0.224 4.387 4.170 -0.011 0.000 0.290 82 I C -0.700 175.100 176.117 -0.529 0.000 0.994 82 I CA -0.800 60.112 61.300 -0.647 0.000 1.191 82 I CB 0.802 38.316 38.000 -0.811 0.000 1.343 82 I HN 0.522 nan 8.210 nan 0.000 0.458 83 Y N 5.859 126.126 120.300 -0.056 0.000 2.356 83 Y HA 0.292 4.836 4.550 -0.011 0.000 0.334 83 Y C -0.284 175.722 175.900 0.178 0.000 0.958 83 Y CA -0.772 57.426 58.100 0.163 0.000 1.196 83 Y CB 1.113 39.638 38.460 0.109 0.000 1.137 83 Y HN 0.395 nan 8.280 nan 0.000 0.485 84 Y N 4.583 125.081 120.300 0.330 0.000 2.595 84 Y HA 0.454 4.998 4.550 -0.011 0.000 0.336 84 Y C -1.143 175.037 175.900 0.465 0.000 0.996 84 Y CA -0.983 57.319 58.100 0.336 0.000 1.260 84 Y CB 0.242 38.905 38.460 0.339 0.000 1.108 84 Y HN 0.527 nan 8.280 nan 0.000 0.509 85 L N 4.925 126.214 121.223 0.110 0.000 2.278 85 L HA 0.399 4.732 4.340 -0.011 0.000 0.287 85 L C -0.105 176.793 176.870 0.047 0.000 1.072 85 L CA 0.276 55.226 54.840 0.184 0.000 0.819 85 L CB 0.985 43.110 42.059 0.110 0.000 1.176 85 L HN 0.563 nan 8.230 nan 0.000 0.435 86 S N 2.825 118.636 115.700 0.185 0.000 2.540 86 S HA 0.495 4.958 4.470 -0.011 0.000 0.275 86 S C 0.201 174.893 174.600 0.153 0.000 1.123 86 S CA -0.573 57.633 58.200 0.010 0.000 0.907 86 S CB 1.056 64.048 63.200 -0.346 0.000 1.081 86 S HN 0.466 nan 8.310 nan 0.000 0.476 87 L N 2.918 124.268 121.223 0.212 0.000 2.612 87 L HA 0.468 4.801 4.340 -0.011 0.000 0.230 87 L C 0.257 177.314 176.870 0.312 0.000 1.140 87 L CA 0.892 55.918 54.840 0.310 0.000 0.896 87 L CB -0.188 42.056 42.059 0.308 0.000 1.065 87 L HN 0.667 nan 8.230 nan 0.000 0.447 88 E N -1.365 118.896 120.200 0.100 0.000 2.308 88 E HA 0.392 4.735 4.350 -0.011 0.000 0.275 88 E C -1.393 175.077 176.600 -0.218 0.000 0.890 88 E CA -0.448 55.990 56.400 0.064 0.000 0.754 88 E CB 1.923 31.637 29.700 0.022 0.000 1.207 88 E HN -0.166 nan 8.360 nan 0.000 0.426 89 F N 2.162 122.223 119.950 0.185 0.000 3.090 89 F HA 0.161 4.681 4.527 -0.011 0.000 0.381 89 F C -0.910 174.985 175.800 0.159 0.000 1.231 89 F CA -0.689 57.414 58.000 0.171 0.000 1.177 89 F CB 0.880 39.976 39.000 0.159 0.000 1.598 89 F HN 0.484 nan 8.300 nan 0.000 0.589 90 Y N 5.025 125.399 120.300 0.123 0.000 2.530 90 Y HA 0.154 4.697 4.550 -0.010 0.000 0.340 90 Y C 1.120 177.041 175.900 0.035 0.000 1.247 90 Y CA -0.753 57.372 58.100 0.042 0.000 1.727 90 Y CB 0.242 38.712 38.460 0.015 0.000 1.613 90 Y HN 0.515 nan 8.280 nan 0.000 0.464 91 M N 1.240 120.961 119.600 0.201 0.000 2.288 91 M HA 0.120 4.593 4.480 -0.011 0.000 0.266 91 M C 1.530 177.789 176.300 -0.068 0.000 1.072 91 M CA 1.073 56.399 55.300 0.044 0.000 1.132 91 M CB -1.163 31.450 32.600 0.022 0.000 1.386 91 M HN 0.640 nan 8.290 nan 0.000 0.432 92 G N 1.205 109.968 108.800 -0.060 0.000 2.645 92 G HA2 -0.261 3.692 3.960 -0.011 0.000 0.239 92 G HA3 -0.261 3.692 3.960 -0.011 0.000 0.239 92 G C -0.435 174.413 174.900 -0.087 0.000 1.331 92 G CA -0.345 44.686 45.100 -0.114 0.000 0.890 92 G HN 0.444 nan 8.290 nan 0.000 0.572 93 R N -0.700 119.738 120.500 -0.104 0.000 2.707 93 R HA 0.559 4.893 4.340 -0.011 0.000 0.270 93 R C 1.598 177.793 176.300 -0.176 0.000 1.083 93 R CA 0.481 56.536 56.100 -0.075 0.000 1.182 93 R CB 0.623 30.884 30.300 -0.064 0.000 1.084 93 R HN 0.944 nan 8.270 nan 0.000 0.528 94 T N -0.853 113.553 114.554 -0.247 0.000 3.058 94 T HA 0.038 4.381 4.350 -0.011 0.000 0.278 94 T C 1.156 175.485 174.700 -0.619 0.000 0.974 94 T CA -0.267 61.511 62.100 -0.536 0.000 0.893 94 T CB 0.190 68.524 68.868 -0.891 0.000 1.138 94 T HN 0.317 nan 8.240 nan 0.000 0.529 95 L N 1.819 122.908 121.223 -0.223 0.000 1.994 95 L HA 0.169 4.503 4.340 -0.011 0.000 0.208 95 L C 2.565 179.404 176.870 -0.052 0.000 1.071 95 L CA 2.226 57.080 54.840 0.023 0.000 0.745 95 L CB -0.907 41.375 42.059 0.371 0.000 0.892 95 L HN 0.396 nan 8.230 nan 0.000 0.431 96 Q N -0.703 119.064 119.800 -0.054 0.000 2.079 96 Q HA -0.246 4.087 4.340 -0.011 0.000 0.200 96 Q C 2.216 178.146 176.000 -0.117 0.000 0.974 96 Q CA 1.764 57.528 55.803 -0.064 0.000 0.840 96 Q CB -0.322 28.377 28.738 -0.065 0.000 0.898 96 Q HN 0.691 nan 8.270 nan 0.000 0.430 97 N N -0.884 117.708 118.700 -0.181 0.000 2.205 97 N HA -0.146 4.587 4.740 -0.011 0.000 0.186 97 N C 1.265 176.668 175.510 -0.177 0.000 1.015 97 N CA 1.763 54.695 53.050 -0.196 0.000 0.862 97 N CB 0.080 38.415 38.487 -0.254 0.000 0.986 97 N HN 0.232 nan 8.380 nan 0.000 0.429 98 T N 0.914 115.333 114.554 -0.226 0.000 2.857 98 T HA 0.017 4.360 4.350 -0.011 0.000 0.266 98 T C 2.043 176.682 174.700 -0.101 0.000 1.048 98 T CA 0.719 62.702 62.100 -0.196 0.000 1.139 98 T CB 0.027 68.732 68.868 -0.272 0.000 0.874 98 T HN 0.245 nan 8.240 nan 0.000 0.455 99 M N 0.567 120.123 119.600 -0.073 0.000 2.132 99 M HA -0.080 4.394 4.480 -0.011 0.000 0.263 99 M C 2.428 178.699 176.300 -0.048 0.000 1.065 99 M CA 1.243 56.516 55.300 -0.046 0.000 1.122 99 M CB -0.529 32.059 32.600 -0.021 0.000 1.365 99 M HN 0.098 nan 8.290 nan 0.000 0.411 100 V N 0.965 120.856 119.914 -0.039 0.000 2.255 100 V HA -0.284 3.829 4.120 -0.011 0.000 0.247 100 V C 1.771 177.888 176.094 0.039 0.000 1.051 100 V CA 1.984 64.288 62.300 0.007 0.000 1.018 100 V CB -0.927 30.898 31.823 0.002 0.000 0.641 100 V HN 0.472 nan 8.190 nan 0.000 0.445 101 N N -0.269 118.444 118.700 0.022 0.000 2.453 101 N HA -0.069 4.665 4.740 -0.011 0.000 0.183 101 N C 1.095 176.520 175.510 -0.142 0.000 1.041 101 N CA 0.780 53.829 53.050 -0.001 0.000 0.900 101 N CB -0.144 38.342 38.487 -0.002 0.000 0.961 101 N HN 0.291 nan 8.380 nan 0.000 0.443 102 L N -0.446 120.710 121.223 -0.111 0.000 2.693 102 L HA 0.404 4.738 4.340 -0.011 0.000 0.235 102 L C 0.557 177.352 176.870 -0.125 0.000 1.127 102 L CA -0.163 54.608 54.840 -0.116 0.000 0.914 102 L CB -0.618 41.395 42.059 -0.077 0.000 1.193 102 L HN 0.103 nan 8.230 nan 0.000 0.502 103 A N -0.577 122.171 122.820 -0.119 0.000 2.869 103 A HA -0.215 4.099 4.320 -0.011 0.000 0.280 103 A C 1.036 178.568 177.584 -0.086 0.000 1.458 103 A CA 0.956 52.934 52.037 -0.100 0.000 0.776 103 A CB -1.971 16.955 19.000 -0.122 0.000 1.028 103 A HN 0.215 nan 8.150 nan 0.000 0.547 104 L N -0.881 120.291 121.223 -0.086 0.000 2.664 104 L HA 0.257 4.590 4.340 -0.011 0.000 0.233 104 L C 1.838 178.671 176.870 -0.061 0.000 1.113 104 L CA 1.567 56.348 54.840 -0.098 0.000 0.896 104 L CB -0.268 41.707 42.059 -0.140 0.000 1.163 104 L HN 0.616 nan 8.230 nan 0.000 0.497 105 E N -0.121 120.055 120.200 -0.041 0.000 2.097 105 E HA -0.265 4.079 4.350 -0.011 0.000 0.196 105 E C 1.635 178.222 176.600 -0.022 0.000 1.000 105 E CA 1.686 58.072 56.400 -0.023 0.000 0.804 105 E CB 0.246 29.936 29.700 -0.017 0.000 0.740 105 E HN 0.399 nan 8.360 nan 0.000 0.454 106 N N -0.324 118.360 118.700 -0.027 0.000 2.207 106 N HA -0.059 4.674 4.740 -0.011 0.000 0.182 106 N C 1.536 177.029 175.510 -0.028 0.000 1.020 106 N CA 1.203 54.236 53.050 -0.028 0.000 0.858 106 N CB -0.409 38.060 38.487 -0.029 0.000 0.991 106 N HN 0.233 nan 8.380 nan 0.000 0.427 107 A N 0.485 123.285 122.820 -0.032 0.000 1.883 107 A HA -0.167 4.147 4.320 -0.011 0.000 0.217 107 A C 2.663 180.236 177.584 -0.019 0.000 1.186 107 A CA 1.455 53.475 52.037 -0.028 0.000 0.624 107 A CB -1.110 17.864 19.000 -0.043 0.000 0.822 107 A HN 0.438 nan 8.150 nan 0.000 0.444 108 C N -0.893 118.394 119.300 -0.021 0.000 2.425 108 C HA -0.077 4.376 4.460 -0.011 0.000 0.277 108 C C 2.502 177.489 174.990 -0.005 0.000 1.280 108 C CA 1.154 60.168 59.018 -0.005 0.000 1.744 108 C CB -1.107 26.638 27.740 0.009 0.000 1.989 108 C HN 0.679 nan 8.230 nan 0.000 0.491 109 D N 0.542 120.940 120.400 -0.003 0.000 2.097 109 D HA -0.135 4.498 4.640 -0.011 0.000 0.195 109 D C 2.130 178.443 176.300 0.021 0.000 0.989 109 D CA 1.512 55.515 54.000 0.004 0.000 0.827 109 D CB -0.257 40.536 40.800 -0.011 0.000 0.966 109 D HN 0.488 nan 8.370 nan 0.000 0.456 110 E N 0.564 120.766 120.200 0.005 0.000 2.031 110 E HA -0.080 4.264 4.350 -0.011 0.000 0.193 110 E C 1.922 178.567 176.600 0.074 0.000 0.994 110 E CA 1.793 58.211 56.400 0.029 0.000 0.800 110 E CB -0.666 29.033 29.700 -0.002 0.000 0.752 110 E HN 0.176 nan 8.360 nan 0.000 0.447 111 A N -0.045 122.784 122.820 0.015 0.000 1.892 111 A HA -0.264 4.049 4.320 -0.011 0.000 0.218 111 A C 2.533 180.054 177.584 -0.104 0.000 1.188 111 A CA 3.300 55.321 52.037 -0.026 0.000 0.631 111 A CB -1.662 17.321 19.000 -0.028 0.000 0.822 111 A HN 0.553 nan 8.150 nan 0.000 0.447 112 T N -3.818 110.657 114.554 -0.131 0.000 2.867 112 T HA -0.202 4.141 4.350 -0.011 0.000 0.268 112 T C 1.795 176.404 174.700 -0.152 0.000 1.057 112 T CA 1.520 63.474 62.100 -0.244 0.000 1.136 112 T CB -0.545 68.212 68.868 -0.186 0.000 0.874 112 T HN 0.507 nan 8.240 nan 0.000 0.466 113 Y N 2.191 122.409 120.300 -0.136 0.000 2.145 113 Y HA -0.094 4.450 4.550 -0.010 0.000 0.286 113 Y C 2.655 178.495 175.900 -0.100 0.000 1.145 113 Y CA 1.599 59.640 58.100 -0.099 0.000 1.148 113 Y CB -0.512 37.909 38.460 -0.066 0.000 0.981 113 Y HN 0.227 nan 8.280 nan 0.000 0.507 114 Q N -0.779 118.965 119.800 -0.093 0.000 2.226 114 Q HA -0.139 4.195 4.340 -0.011 0.000 0.204 114 Q C 1.564 177.442 176.000 -0.203 0.000 0.975 114 Q CA 1.008 56.721 55.803 -0.151 0.000 0.866 114 Q CB -0.113 28.618 28.738 -0.011 0.000 0.915 114 Q HN 0.350 nan 8.270 nan 0.000 0.440 115 L N -0.531 120.557 121.223 -0.224 0.000 2.599 115 L HA 0.116 4.449 4.340 -0.011 0.000 0.230 115 L C 1.089 177.800 176.870 -0.265 0.000 1.141 115 L CA 1.248 55.944 54.840 -0.240 0.000 0.877 115 L CB -0.616 41.220 42.059 -0.372 0.000 1.009 115 L HN 0.349 nan 8.230 nan 0.000 0.447 116 G N -0.281 108.337 108.800 -0.304 0.000 2.176 116 G HA2 -0.266 3.688 3.960 -0.011 0.000 0.252 116 G HA3 -0.266 3.688 3.960 -0.011 0.000 0.252 116 G C 0.125 174.873 174.900 -0.254 0.000 1.024 116 G CA 0.508 45.433 45.100 -0.292 0.000 0.755 116 G HN 0.330 nan 8.290 nan 0.000 0.507 117 L N -0.619 120.450 121.223 -0.258 0.000 2.323 117 L HA 0.654 4.988 4.340 -0.011 0.000 0.265 117 L C -0.462 176.352 176.870 -0.093 0.000 1.012 117 L CA -1.225 53.493 54.840 -0.203 0.000 0.820 117 L CB 1.771 43.650 42.059 -0.302 0.000 1.334 117 L HN 0.048 nan 8.230 nan 0.000 0.427 118 D N 1.525 121.904 120.400 -0.035 0.000 2.443 118 D HA 0.178 4.811 4.640 -0.011 0.000 0.221 118 D C 0.683 177.003 176.300 0.033 0.000 1.097 118 D CA -0.307 53.705 54.000 0.020 0.000 0.865 118 D CB 1.441 42.261 40.800 0.033 0.000 1.034 118 D HN 0.532 nan 8.370 nan 0.000 0.511 119 M N 3.205 122.827 119.600 0.036 0.000 2.106 119 M HA -0.205 4.268 4.480 -0.011 0.000 0.259 119 M C 1.385 177.724 176.300 0.066 0.000 1.068 119 M CA 1.725 57.056 55.300 0.052 0.000 1.100 119 M CB 0.136 32.762 32.600 0.043 0.000 1.351 119 M HN 0.399 nan 8.290 nan 0.000 0.404 120 E N -0.366 119.867 120.200 0.054 0.000 2.153 120 E HA -0.251 4.092 4.350 -0.011 0.000 0.194 120 E C 1.910 178.544 176.600 0.057 0.000 0.988 120 E CA 1.430 57.862 56.400 0.052 0.000 0.811 120 E CB -0.135 29.594 29.700 0.049 0.000 0.746 120 E HN 0.656 nan 8.360 nan 0.000 0.466 121 E N 0.201 120.437 120.200 0.059 0.000 2.072 121 E HA -0.188 4.155 4.350 -0.011 0.000 0.191 121 E C 1.890 178.531 176.600 0.068 0.000 0.985 121 E CA 0.543 56.978 56.400 0.059 0.000 0.801 121 E CB 0.191 29.925 29.700 0.057 0.000 0.750 121 E HN 0.079 nan 8.360 nan 0.000 0.452 122 L N 1.188 122.471 121.223 0.100 0.000 2.093 122 L HA -0.119 4.214 4.340 -0.011 0.000 0.208 122 L C 2.085 179.018 176.870 0.106 0.000 1.085 122 L CA 1.589 56.523 54.840 0.156 0.000 0.755 122 L CB -0.578 41.621 42.059 0.234 0.000 0.904 122 L HN 0.111 nan 8.230 nan 0.000 0.435 123 E N -0.622 119.631 120.200 0.088 0.000 2.160 123 E HA -0.202 4.142 4.350 -0.011 0.000 0.195 123 E C 1.791 178.360 176.600 -0.051 0.000 0.991 123 E CA 0.855 57.280 56.400 0.043 0.000 0.810 123 E CB 0.085 29.814 29.700 0.048 0.000 0.742 123 E HN 0.369 nan 8.360 nan 0.000 0.466 124 E N -0.020 120.164 120.200 -0.027 0.000 2.472 124 E HA -0.110 4.233 4.350 -0.011 0.000 0.200 124 E C 1.684 178.223 176.600 -0.102 0.000 1.046 124 E CA 0.522 56.903 56.400 -0.031 0.000 0.871 124 E CB 0.096 29.808 29.700 0.021 0.000 0.806 124 E HN 0.425 nan 8.360 nan 0.000 0.533 125 I N 0.664 121.110 120.570 -0.206 0.000 2.876 125 I HA -0.072 4.092 4.170 -0.011 0.000 0.264 125 I C 1.288 177.078 176.117 -0.544 0.000 1.204 125 I CA 0.116 61.226 61.300 -0.317 0.000 1.485 125 I CB 0.206 38.030 38.000 -0.294 0.000 1.103 125 I HN -0.042 nan 8.210 nan 0.000 0.446 126 E N 2.305 122.082 120.200 -0.705 0.000 2.384 126 E HA -0.040 4.303 4.350 -0.011 0.000 0.266 126 E C -0.067 176.435 176.600 -0.163 0.000 1.012 126 E CA -0.153 55.884 56.400 -0.605 0.000 0.901 126 E CB 0.660 30.142 29.700 -0.364 0.000 0.967 126 E HN 0.080 nan 8.360 nan 0.000 0.435 127 E N 2.837 123.039 120.200 0.004 0.000 2.301 127 E HA 0.097 4.440 4.350 -0.011 0.000 0.275 127 E C -1.220 175.492 176.600 0.187 0.000 1.030 127 E CA -0.414 56.076 56.400 0.151 0.000 0.852 127 E CB 0.885 30.762 29.700 0.294 0.000 1.060 127 E HN 0.374 nan 8.360 nan 0.000 0.401 128 D N 1.784 122.265 120.400 0.134 0.000 2.389 128 D HA 0.257 4.891 4.640 -0.011 0.000 0.247 128 D C -0.835 175.491 176.300 0.044 0.000 1.128 128 D CA 0.260 54.304 54.000 0.072 0.000 0.884 128 D CB 0.967 41.789 40.800 0.036 0.000 1.194 128 D HN 0.434 nan 8.370 nan 0.000 0.441 129 A N 2.608 125.399 122.820 -0.048 0.000 2.923 129 A HA 0.463 4.776 4.320 -0.011 0.000 0.306 129 A C 0.965 178.389 177.584 -0.267 0.000 1.542 129 A CA -0.505 51.299 52.037 -0.388 0.000 1.225 129 A CB -0.263 18.599 19.000 -0.229 0.000 1.147 129 A HN 0.540 nan 8.150 nan 0.000 0.542 130 G N 1.682 110.307 108.800 -0.292 0.000 3.541 130 G HA2 0.395 4.349 3.960 -0.011 0.000 0.253 130 G HA3 0.395 4.349 3.960 -0.011 0.000 0.253 130 G C 0.314 175.041 174.900 -0.288 0.000 1.017 130 G CA -0.269 44.773 45.100 -0.096 0.000 1.832 130 G HN 0.680 nan 8.290 nan 0.000 0.649 131 L N 1.480 122.574 121.223 -0.215 0.000 2.939 131 L HA 0.376 4.709 4.340 -0.011 0.000 0.239 131 L C 1.030 177.841 176.870 -0.100 0.000 1.325 131 L CA -0.236 54.555 54.840 -0.082 0.000 1.170 131 L CB -0.343 41.786 42.059 0.117 0.000 1.538 131 L HN 0.340 nan 8.230 nan 0.000 0.452 132 G N -1.255 107.259 108.800 -0.476 0.000 2.660 132 G HA2 0.216 4.170 3.960 -0.011 0.000 0.290 132 G HA3 0.216 4.170 3.960 -0.011 0.000 0.290 132 G C -0.174 174.212 174.900 -0.856 0.000 1.432 132 G CA -0.432 44.325 45.100 -0.572 0.000 0.807 132 G HN -0.068 nan 8.290 nan 0.000 0.485 133 N N -0.887 117.543 118.700 -0.450 0.000 2.499 133 N HA 0.219 4.952 4.740 -0.011 0.000 0.182 133 N C 1.114 176.572 175.510 -0.086 0.000 1.034 133 N CA 1.218 54.108 53.050 -0.266 0.000 0.882 133 N CB 1.322 39.777 38.487 -0.053 0.000 1.125 133 N HN 0.783 nan 8.380 nan 0.000 0.436 134 G N -0.713 108.122 108.800 0.058 0.000 2.929 134 G HA2 0.248 4.201 3.960 -0.011 0.000 0.123 134 G HA3 0.248 4.201 3.960 -0.011 0.000 0.123 134 G C 0.734 175.766 174.900 0.221 0.000 1.212 134 G CA 0.266 45.512 45.100 0.243 0.000 1.238 134 G HN 0.156 nan 8.290 nan 0.000 0.617 135 G N 0.448 109.330 108.800 0.137 0.000 2.529 135 G HA2 -0.180 3.773 3.960 -0.011 0.000 0.219 135 G HA3 -0.180 3.773 3.960 -0.011 0.000 0.219 135 G C 1.899 176.815 174.900 0.026 0.000 1.177 135 G CA 1.582 46.729 45.100 0.078 0.000 0.773 135 G HN 0.811 nan 8.290 nan 0.000 0.573 136 L N 0.623 121.825 121.223 -0.034 0.000 2.012 136 L HA 0.034 4.367 4.340 -0.011 0.000 0.210 136 L C 2.827 179.636 176.870 -0.101 0.000 1.073 136 L CA 2.146 56.869 54.840 -0.195 0.000 0.748 136 L CB -0.565 41.325 42.059 -0.281 0.000 0.891 136 L HN 0.253 nan 8.230 nan 0.000 0.431 137 G N -0.992 107.804 108.800 -0.006 0.000 2.421 137 G HA2 -0.223 3.730 3.960 -0.011 0.000 0.217 137 G HA3 -0.223 3.730 3.960 -0.011 0.000 0.217 137 G C 1.689 176.669 174.900 0.134 0.000 1.143 137 G CA 0.195 45.313 45.100 0.030 0.000 0.784 137 G HN 0.180 nan 8.290 nan 0.000 0.541 138 R N 0.127 120.743 120.500 0.194 0.000 2.153 138 R HA 0.149 4.482 4.340 -0.011 0.000 0.218 138 R C 2.370 178.697 176.300 0.046 0.000 1.072 138 R CA 0.520 56.716 56.100 0.160 0.000 0.990 138 R CB -0.887 29.485 30.300 0.120 0.000 0.889 138 R HN 0.399 nan 8.270 nan 0.000 0.452 139 L N 0.631 121.816 121.223 -0.062 0.000 2.017 139 L HA -0.051 4.282 4.340 -0.011 0.000 0.208 139 L C 2.166 178.778 176.870 -0.430 0.000 1.073 139 L CA 2.224 56.890 54.840 -0.289 0.000 0.745 139 L CB -0.753 41.105 42.059 -0.335 0.000 0.894 139 L HN 0.171 nan 8.230 nan 0.000 0.432 140 A N -0.582 122.103 122.820 -0.224 0.000 1.940 140 A HA -0.153 4.161 4.320 -0.011 0.000 0.219 140 A C 2.416 180.058 177.584 0.097 0.000 1.176 140 A CA 1.839 53.806 52.037 -0.118 0.000 0.631 140 A CB -1.112 17.810 19.000 -0.131 0.000 0.814 140 A HN 0.587 nan 8.150 nan 0.000 0.446 141 A N -1.390 121.521 122.820 0.151 0.000 1.929 141 A HA -0.106 4.208 4.320 -0.011 0.000 0.216 141 A C 2.272 179.930 177.584 0.123 0.000 1.176 141 A CA 1.532 53.686 52.037 0.194 0.000 0.628 141 A CB -1.093 18.008 19.000 0.170 0.000 0.816 141 A HN 0.577 nan 8.150 nan 0.000 0.444 142 C N -1.607 117.762 119.300 0.115 0.000 2.457 142 C HA 0.010 4.464 4.460 -0.011 0.000 0.278 142 C C 2.395 177.540 174.990 0.259 0.000 1.309 142 C CA 0.428 59.549 59.018 0.172 0.000 1.735 142 C CB -1.495 26.370 27.740 0.207 0.000 1.992 142 C HN 0.611 nan 8.230 nan 0.000 0.493 143 F N 0.576 120.512 119.950 -0.023 0.000 2.102 143 F HA -0.080 4.440 4.527 -0.011 0.000 0.298 143 F C 2.125 177.870 175.800 -0.092 0.000 1.105 143 F CA 1.092 59.028 58.000 -0.107 0.000 1.239 143 F CB -1.394 37.405 39.000 -0.336 0.000 0.991 143 F HN 0.083 nan 8.300 nan 0.000 0.474 144 L N 0.405 121.708 121.223 0.133 0.000 2.042 144 L HA -0.247 4.087 4.340 -0.011 0.000 0.210 144 L C 2.390 179.276 176.870 0.026 0.000 1.076 144 L CA 1.932 56.807 54.840 0.059 0.000 0.749 144 L CB -1.184 40.919 42.059 0.072 0.000 0.893 144 L HN 0.191 nan 8.230 nan 0.000 0.432 145 D N -1.421 119.003 120.400 0.039 0.000 2.117 145 D HA -0.156 4.478 4.640 -0.011 0.000 0.197 145 D C 1.876 178.193 176.300 0.029 0.000 0.987 145 D CA 1.490 55.497 54.000 0.012 0.000 0.829 145 D CB 0.445 41.247 40.800 0.003 0.000 0.961 145 D HN 0.330 nan 8.370 nan 0.000 0.460 146 S N -0.066 115.669 115.700 0.058 0.000 2.387 146 S HA -0.042 4.422 4.470 -0.011 0.000 0.226 146 S C 2.127 176.741 174.600 0.024 0.000 1.026 146 S CA 0.634 58.861 58.200 0.046 0.000 0.972 146 S CB -0.091 63.145 63.200 0.060 0.000 0.814 146 S HN 0.332 nan 8.310 nan 0.000 0.477 147 M N 1.095 120.702 119.600 0.012 0.000 2.213 147 M HA -0.078 4.395 4.480 -0.011 0.000 0.263 147 M C 2.387 178.690 176.300 0.005 0.000 1.062 147 M CA 1.303 56.606 55.300 0.006 0.000 1.105 147 M CB -0.470 32.118 32.600 -0.021 0.000 1.385 147 M HN 0.400 nan 8.290 nan 0.000 0.417 148 A N -0.285 122.535 122.820 0.001 0.000 1.872 148 A HA -0.098 4.216 4.320 -0.011 0.000 0.214 148 A C 2.153 179.751 177.584 0.023 0.000 1.187 148 A CA 1.853 53.892 52.037 0.003 0.000 0.614 148 A CB -1.006 17.979 19.000 -0.024 0.000 0.826 148 A HN 0.391 nan 8.150 nan 0.000 0.442 149 T N 0.297 114.871 114.554 0.033 0.000 2.929 149 T HA 0.021 4.364 4.350 -0.011 0.000 0.271 149 T C 1.227 175.957 174.700 0.051 0.000 1.085 149 T CA 0.969 63.103 62.100 0.057 0.000 1.125 149 T CB -0.248 68.666 68.868 0.076 0.000 0.874 149 T HN 0.315 nan 8.240 nan 0.000 0.494 150 L N 0.514 121.762 121.223 0.042 0.000 2.741 150 L HA 0.312 4.646 4.340 -0.011 0.000 0.237 150 L C 1.460 178.357 176.870 0.046 0.000 1.178 150 L CA -0.267 54.599 54.840 0.042 0.000 0.973 150 L CB -0.366 41.717 42.059 0.041 0.000 1.255 150 L HN 0.347 nan 8.230 nan 0.000 0.498 151 G N 1.548 110.378 108.800 0.051 0.000 2.366 151 G HA2 -0.284 3.670 3.960 -0.011 0.000 0.299 151 G HA3 -0.284 3.670 3.960 -0.011 0.000 0.299 151 G C -0.029 174.909 174.900 0.063 0.000 1.020 151 G CA 0.180 45.324 45.100 0.074 0.000 1.026 151 G HN 0.292 nan 8.290 nan 0.000 0.512 152 L N -0.320 120.914 121.223 0.018 0.000 2.325 152 L HA 0.642 4.976 4.340 -0.011 0.000 0.279 152 L C 1.110 177.858 176.870 -0.203 0.000 1.054 152 L CA -0.626 54.177 54.840 -0.063 0.000 0.804 152 L CB 1.832 43.872 42.059 -0.032 0.000 1.200 152 L HN 0.286 nan 8.230 nan 0.000 0.436 153 A N 3.033 125.585 122.820 -0.446 0.000 2.981 153 A HA 0.563 4.877 4.320 -0.011 0.000 0.280 153 A C 0.261 177.538 177.584 -0.512 0.000 1.743 153 A CA -0.139 51.373 52.037 -0.876 0.000 1.430 153 A CB -0.642 17.715 19.000 -1.072 0.000 1.085 153 A HN 0.682 nan 8.150 nan 0.000 0.597 154 A N 1.537 124.103 122.820 -0.423 0.000 2.340 154 A HA 0.803 5.116 4.320 -0.011 0.000 0.331 154 A C -1.017 176.332 177.584 -0.393 0.000 1.140 154 A CA -0.472 51.370 52.037 -0.325 0.000 0.801 154 A CB 0.800 19.671 19.000 -0.214 0.000 1.234 154 A HN 0.622 nan 8.150 nan 0.000 0.469 155 Y N 0.215 120.482 120.300 -0.056 0.000 2.391 155 Y HA 0.543 5.087 4.550 -0.011 0.000 0.341 155 Y C 0.831 176.823 175.900 0.153 0.000 0.965 155 Y CA -0.562 57.563 58.100 0.042 0.000 1.067 155 Y CB 2.448 40.996 38.460 0.148 0.000 1.199 155 Y HN 0.830 nan 8.280 nan 0.000 0.450 156 G N 2.189 111.072 108.800 0.139 0.000 2.325 156 G HA2 0.452 4.406 3.960 -0.011 0.000 0.298 156 G HA3 0.452 4.406 3.960 -0.011 0.000 0.298 156 G C -1.773 173.153 174.900 0.044 0.000 1.134 156 G CA -0.250 44.959 45.100 0.181 0.000 0.876 156 G HN 0.511 nan 8.290 nan 0.000 0.452 157 Y N 1.071 121.607 120.300 0.394 0.000 2.376 157 Y HA 0.641 5.185 4.550 -0.011 0.000 0.340 157 Y C 0.755 176.977 175.900 0.537 0.000 0.965 157 Y CA 0.221 58.532 58.100 0.352 0.000 1.078 157 Y CB 2.670 41.363 38.460 0.388 0.000 1.193 157 Y HN 0.869 nan 8.280 nan 0.000 0.452 158 G N 2.363 111.515 108.800 0.587 0.000 2.753 158 G HA2 0.552 4.505 3.960 -0.011 0.000 0.303 158 G HA3 0.552 4.505 3.960 -0.011 0.000 0.303 158 G C -1.781 173.388 174.900 0.448 0.000 1.242 158 G CA -0.817 44.648 45.100 0.608 0.000 0.810 158 G HN 0.435 nan 8.290 nan 0.000 0.515 159 I N 0.673 121.397 120.570 0.257 0.000 2.441 159 I HA 0.428 4.592 4.170 -0.011 0.000 0.295 159 I C 0.233 176.248 176.117 -0.170 0.000 0.994 159 I CA -0.718 60.605 61.300 0.038 0.000 1.144 159 I CB 2.104 39.923 38.000 -0.302 0.000 1.314 159 I HN 0.362 nan 8.210 nan 0.000 0.445 160 R N 6.461 126.953 120.500 -0.014 0.000 2.565 160 R HA 0.261 4.594 4.340 -0.011 0.000 0.286 160 R C -1.355 174.981 176.300 0.060 0.000 1.256 160 R CA -0.456 55.671 56.100 0.045 0.000 1.238 160 R CB 0.053 30.357 30.300 0.007 0.000 1.153 160 R HN 0.396 nan 8.270 nan 0.000 0.553 161 Y N 1.729 122.193 120.300 0.273 0.000 2.411 161 Y HA -0.016 4.527 4.550 -0.011 0.000 0.333 161 Y C 1.480 177.560 175.900 0.300 0.000 1.186 161 Y CA -0.149 58.099 58.100 0.247 0.000 1.381 161 Y CB 0.970 39.562 38.460 0.219 0.000 1.273 161 Y HN 0.561 nan 8.280 nan 0.000 0.546 162 E N 1.164 121.525 120.200 0.268 0.000 2.442 162 E HA 0.053 4.396 4.350 -0.011 0.000 0.195 162 E C -0.790 175.689 176.600 -0.202 0.000 1.030 162 E CA 0.459 56.830 56.400 -0.047 0.000 0.869 162 E CB 0.115 29.601 29.700 -0.357 0.000 0.857 162 E HN 0.431 nan 8.360 nan 0.000 0.505 163 F N 1.085 121.276 119.950 0.401 0.000 2.496 163 F HA 0.471 4.992 4.527 -0.011 0.000 0.341 163 F C 0.845 176.741 175.800 0.160 0.000 1.134 163 F CA -1.120 57.056 58.000 0.294 0.000 0.968 163 F CB 2.096 41.195 39.000 0.165 0.000 1.205 163 F HN -0.066 nan 8.300 nan 0.000 0.436 164 G N 1.966 110.891 108.800 0.208 0.000 2.582 164 G HA2 0.328 4.281 3.960 -0.011 0.000 0.232 164 G HA3 0.328 4.281 3.960 -0.011 0.000 0.232 164 G C -0.545 174.319 174.900 -0.060 0.000 1.458 164 G CA -0.660 44.404 45.100 -0.061 0.000 1.062 164 G HN 0.507 nan 8.290 nan 0.000 0.566 165 I N 1.146 121.607 120.570 -0.182 0.000 2.683 165 I HA 0.228 4.391 4.170 -0.011 0.000 0.286 165 I C 0.543 176.563 176.117 -0.162 0.000 1.175 165 I CA -1.139 60.017 61.300 -0.240 0.000 1.429 165 I CB -0.297 37.467 38.000 -0.393 0.000 1.371 165 I HN 0.329 nan 8.210 nan 0.000 0.569 166 F N 6.528 126.486 119.950 0.014 0.000 2.626 166 F HA 0.221 4.742 4.527 -0.011 0.000 0.354 166 F C 0.420 176.266 175.800 0.077 0.000 1.168 166 F CA -0.481 57.547 58.000 0.046 0.000 1.368 166 F CB -0.271 38.741 39.000 0.020 0.000 1.092 166 F HN 0.434 nan 8.300 nan 0.000 0.612 167 N N 2.252 121.152 118.700 0.334 0.000 2.444 167 N HA 0.075 4.809 4.740 -0.011 0.000 0.271 167 N C -0.850 174.908 175.510 0.413 0.000 1.069 167 N CA -0.324 52.884 53.050 0.263 0.000 0.965 167 N CB 1.244 39.867 38.487 0.225 0.000 1.092 167 N HN 0.749 nan 8.380 nan 0.000 0.476 168 Q N 2.244 122.252 119.800 0.346 0.000 2.256 168 Q HA 0.215 4.549 4.340 -0.011 0.000 0.254 168 Q C -0.934 175.241 176.000 0.291 0.000 0.916 168 Q CA -0.210 55.831 55.803 0.398 0.000 0.932 168 Q CB 0.793 29.769 28.738 0.397 0.000 1.207 168 Q HN 0.282 nan 8.270 nan 0.000 0.426 169 K N 4.168 124.717 120.400 0.247 0.000 2.378 169 K HA 0.449 4.763 4.320 -0.011 0.000 0.252 169 K C -1.003 175.703 176.600 0.176 0.000 0.931 169 K CA -0.935 55.473 56.287 0.202 0.000 0.794 169 K CB 1.614 34.209 32.500 0.159 0.000 1.181 169 K HN 0.605 nan 8.250 nan 0.000 0.425 170 I N 2.478 123.148 120.570 0.167 0.000 2.328 170 I HA 0.198 4.362 4.170 -0.011 0.000 0.287 170 I C -0.156 176.027 176.117 0.111 0.000 1.012 170 I CA -0.722 60.648 61.300 0.117 0.000 1.195 170 I CB 0.655 38.714 38.000 0.097 0.000 1.350 170 I HN 0.473 nan 8.210 nan 0.000 0.464 171 C N 4.397 123.774 119.300 0.128 0.000 2.281 171 C HA 0.576 5.030 4.460 -0.011 0.000 0.323 171 C C 1.218 176.321 174.990 0.189 0.000 1.270 171 C CA -0.184 58.915 59.018 0.135 0.000 1.559 171 C CB 0.256 28.069 27.740 0.121 0.000 2.239 171 C HN 1.085 nan 8.230 nan 0.000 0.488 172 G N 3.109 111.988 108.800 0.133 0.000 2.283 172 G HA2 0.069 4.023 3.960 -0.011 0.000 0.280 172 G HA3 0.069 4.023 3.960 -0.011 0.000 0.280 172 G C 1.103 176.028 174.900 0.043 0.000 1.029 172 G CA 0.986 46.169 45.100 0.139 0.000 0.840 172 G HN 2.289 nan 8.290 nan 0.000 0.505 173 G N -2.899 105.871 108.800 -0.050 0.000 2.205 173 G HA2 -0.303 3.650 3.960 -0.011 0.000 0.261 173 G HA3 -0.303 3.650 3.960 -0.011 0.000 0.261 173 G C 0.437 175.108 174.900 -0.383 0.000 0.980 173 G CA 0.685 45.632 45.100 -0.255 0.000 0.632 173 G HN 1.174 nan 8.290 nan 0.000 0.533 174 W N 0.947 122.200 121.300 -0.079 0.000 2.448 174 W HA 0.656 5.310 4.660 -0.011 0.000 0.339 174 W C 0.677 177.147 176.519 -0.082 0.000 1.124 174 W CA -0.702 56.588 57.345 -0.091 0.000 1.262 174 W CB 0.742 30.165 29.460 -0.062 0.000 1.251 174 W HN 0.283 nan 8.180 nan 0.000 0.597 175 Q N 2.739 122.644 119.800 0.174 0.000 2.288 175 Q HA 0.338 4.672 4.340 -0.011 0.000 0.254 175 Q C -0.713 175.343 176.000 0.094 0.000 0.932 175 Q CA -0.133 55.736 55.803 0.109 0.000 0.902 175 Q CB 0.695 29.485 28.738 0.088 0.000 1.203 175 Q HN 0.308 nan 8.270 nan 0.000 0.415 176 M N 3.121 122.770 119.600 0.083 0.000 2.321 176 M HA 0.387 4.860 4.480 -0.011 0.000 0.315 176 M C -1.120 175.180 176.300 0.000 0.000 1.052 176 M CA -0.612 54.704 55.300 0.026 0.000 0.936 176 M CB 1.712 34.344 32.600 0.053 0.000 1.639 176 M HN 0.674 nan 8.290 nan 0.000 0.433 177 E N 1.872 121.993 120.200 -0.132 0.000 2.242 177 E HA 0.526 4.869 4.350 -0.011 0.000 0.275 177 E C -0.598 175.977 176.600 -0.041 0.000 1.002 177 E CA -0.522 55.749 56.400 -0.215 0.000 0.841 177 E CB 1.654 30.964 29.700 -0.651 0.000 1.109 177 E HN 0.539 nan 8.360 nan 0.000 0.394 178 E N 1.004 121.259 120.200 0.093 0.000 2.335 178 E HA 0.591 4.935 4.350 -0.011 0.000 0.280 178 E C -1.294 175.385 176.600 0.132 0.000 0.918 178 E CA -1.257 55.193 56.400 0.082 0.000 0.765 178 E CB 1.235 30.991 29.700 0.095 0.000 1.218 178 E HN 0.528 nan 8.360 nan 0.000 0.425 179 A N 2.896 125.743 122.820 0.044 0.000 2.603 179 A HA -0.005 4.309 4.320 -0.011 0.000 0.235 179 A C 0.065 177.789 177.584 0.233 0.000 1.035 179 A CA 0.898 52.954 52.037 0.033 0.000 0.755 179 A CB -0.087 18.789 19.000 -0.206 0.000 0.954 179 A HN 0.685 nan 8.150 nan 0.000 0.511 180 D N 1.619 122.241 120.400 0.371 0.000 2.524 180 D HA 0.212 4.846 4.640 -0.011 0.000 0.222 180 D C -0.508 176.156 176.300 0.607 0.000 1.142 180 D CA -0.263 53.982 54.000 0.409 0.000 0.973 180 D CB 0.354 41.332 40.800 0.297 0.000 1.025 180 D HN 0.361 nan 8.370 nan 0.000 0.519 181 D N 3.731 124.440 120.400 0.515 0.000 2.688 181 D HA -0.018 4.615 4.640 -0.011 0.000 0.228 181 D C 1.121 177.568 176.300 0.246 0.000 1.116 181 D CA -0.530 53.689 54.000 0.365 0.000 1.023 181 D CB -0.144 40.847 40.800 0.320 0.000 1.100 181 D HN 0.575 nan 8.370 nan 0.000 0.487 182 W N 1.903 123.253 121.300 0.083 0.000 2.525 182 W HA -0.054 4.600 4.660 -0.011 0.000 0.259 182 W C 0.235 176.807 176.519 0.090 0.000 1.253 182 W CA 0.107 57.514 57.345 0.103 0.000 1.262 182 W CB -0.796 28.731 29.460 0.111 0.000 1.122 182 W HN 0.177 nan 8.180 nan 0.000 0.607 183 L N 0.875 121.733 121.223 -0.609 0.000 2.607 183 L HA 0.172 4.506 4.340 -0.011 0.000 0.228 183 L C 2.749 179.444 176.870 -0.291 0.000 1.123 183 L CA -0.013 54.452 54.840 -0.625 0.000 0.890 183 L CB -0.670 40.897 42.059 -0.821 0.000 1.103 183 L HN -0.114 nan 8.230 nan 0.000 0.468 184 R N 0.930 121.297 120.500 -0.221 0.000 2.159 184 R HA -0.258 4.075 4.340 -0.011 0.000 0.249 184 R C 1.317 177.392 176.300 -0.376 0.000 1.136 184 R CA 2.377 58.285 56.100 -0.321 0.000 0.951 184 R CB -0.294 29.752 30.300 -0.423 0.000 0.876 184 R HN 0.345 nan 8.270 nan 0.000 0.440 185 Y N -0.627 119.702 120.300 0.047 0.000 2.468 185 Y HA 0.352 4.895 4.550 -0.011 0.000 0.268 185 Y C 0.770 176.704 175.900 0.057 0.000 1.177 185 Y CA 0.175 58.325 58.100 0.083 0.000 1.265 185 Y CB 0.958 39.560 38.460 0.237 0.000 1.103 185 Y HN 0.465 nan 8.280 nan 0.000 0.522 186 G N 1.412 110.273 108.800 0.102 0.000 2.663 186 G HA2 -0.220 3.733 3.960 -0.011 0.000 0.686 186 G HA3 -0.220 3.733 3.960 -0.011 0.000 0.686 186 G C -1.339 173.648 174.900 0.144 0.000 1.246 186 G CA -0.937 44.188 45.100 0.042 0.000 0.795 186 G HN 0.232 nan 8.290 nan 0.000 0.627 187 N N 1.461 120.184 118.700 0.038 0.000 2.569 187 N HA 0.565 5.299 4.740 -0.011 0.000 0.254 187 N C -0.613 174.908 175.510 0.019 0.000 1.004 187 N CA -2.060 51.035 53.050 0.074 0.000 0.904 187 N CB 1.914 40.382 38.487 -0.033 0.000 1.165 187 N HN 0.238 nan 8.380 nan 0.000 0.513 188 P HA -0.008 nan 4.420 nan 0.000 0.230 188 P C 0.562 177.534 177.300 -0.547 0.000 1.158 188 P CA 0.823 63.627 63.100 -0.494 0.000 0.769 188 P CB 0.097 31.247 31.700 -0.917 0.000 0.807 189 W N 1.664 122.994 121.300 0.050 0.000 2.576 189 W HA 0.073 4.726 4.660 -0.010 0.000 0.275 189 W C 1.397 177.978 176.519 0.104 0.000 1.241 189 W CA -0.324 57.048 57.345 0.045 0.000 1.328 189 W CB -0.265 29.220 29.460 0.040 0.000 1.092 189 W HN -0.013 nan 8.180 nan 0.000 0.586 190 E N 1.875 122.264 120.200 0.315 0.000 2.314 190 E HA 0.380 4.723 4.350 -0.011 0.000 0.262 190 E C -0.632 176.141 176.600 0.288 0.000 1.093 190 E CA -0.667 55.926 56.400 0.322 0.000 0.908 190 E CB 1.408 31.302 29.700 0.324 0.000 1.091 190 E HN -0.244 nan 8.360 nan 0.000 0.425 191 K N 0.815 121.392 120.400 0.295 0.000 2.565 191 K HA 0.457 4.771 4.320 -0.011 0.000 0.249 191 K C -1.501 175.104 176.600 0.008 0.000 0.958 191 K CA -0.373 56.010 56.287 0.160 0.000 0.806 191 K CB 1.886 34.475 32.500 0.147 0.000 1.194 191 K HN 0.678 nan 8.250 nan 0.000 0.434 192 A N 4.296 127.006 122.820 -0.183 0.000 2.425 192 A HA 0.436 4.749 4.320 -0.011 0.000 0.249 192 A C -0.477 176.920 177.584 -0.313 0.000 1.084 192 A CA -0.270 51.405 52.037 -0.603 0.000 0.781 192 A CB 0.245 18.842 19.000 -0.671 0.000 1.019 192 A HN 0.737 nan 8.150 nan 0.000 0.490 193 R N 3.575 123.903 120.500 -0.287 0.000 2.494 193 R HA 0.224 4.557 4.340 -0.011 0.000 0.284 193 R C -2.598 173.634 176.300 -0.113 0.000 1.525 193 R CA -1.423 54.596 56.100 -0.135 0.000 1.460 193 R CB 1.356 31.666 30.300 0.017 0.000 1.134 193 R HN 0.562 nan 8.270 nan 0.000 0.592 194 P HA -0.045 nan 4.420 nan 0.000 0.252 194 P C 0.055 177.295 177.300 -0.099 0.000 1.265 194 P CA 0.666 63.712 63.100 -0.090 0.000 0.775 194 P CB 0.338 31.983 31.700 -0.091 0.000 1.128 195 E N -1.015 119.063 120.200 -0.203 0.000 2.389 195 E HA 0.083 4.426 4.350 -0.011 0.000 0.199 195 E C 0.759 177.165 176.600 -0.323 0.000 0.978 195 E CA 0.257 56.454 56.400 -0.338 0.000 0.912 195 E CB -0.329 29.024 29.700 -0.578 0.000 0.907 195 E HN 0.277 nan 8.360 nan 0.000 0.494 196 F N 2.165 122.134 119.950 0.032 0.000 2.750 196 F HA 0.231 4.751 4.527 -0.011 0.000 0.297 196 F C 0.352 176.254 175.800 0.171 0.000 1.138 196 F CA -0.554 57.500 58.000 0.090 0.000 1.346 196 F CB 0.803 39.853 39.000 0.084 0.000 0.965 196 F HN -0.228 nan 8.300 nan 0.000 0.514 197 T N 2.751 117.457 114.554 0.253 0.000 2.916 197 T HA 0.254 4.597 4.350 -0.011 0.000 0.303 197 T C -0.256 174.573 174.700 0.215 0.000 1.025 197 T CA 0.307 62.558 62.100 0.253 0.000 1.142 197 T CB 0.824 69.785 68.868 0.155 0.000 0.947 197 T HN -0.120 nan 8.240 nan 0.000 0.544 198 L N 5.479 126.816 121.223 0.189 0.000 2.354 198 L HA 0.622 4.956 4.340 -0.011 0.000 0.264 198 L C -2.282 174.586 176.870 -0.004 0.000 1.008 198 L CA -2.555 52.319 54.840 0.057 0.000 0.819 198 L CB 2.066 44.092 42.059 -0.055 0.000 1.339 198 L HN 0.385 nan 8.230 nan 0.000 0.420 199 P HA 0.439 nan 4.420 nan 0.000 0.292 199 P C -1.302 175.898 177.300 -0.167 0.000 1.283 199 P CA -0.491 62.557 63.100 -0.087 0.000 0.835 199 P CB 2.082 33.729 31.700 -0.088 0.000 1.017 200 V N 3.917 123.714 119.914 -0.196 0.000 2.656 200 V HA 0.344 4.458 4.120 -0.011 0.000 0.307 200 V C 0.160 176.034 176.094 -0.367 0.000 1.051 200 V CA -0.611 61.558 62.300 -0.219 0.000 0.893 200 V CB 1.548 33.302 31.823 -0.115 0.000 0.999 200 V HN 0.611 nan 8.190 nan 0.000 0.426 201 H N 3.745 122.633 119.070 -0.304 0.000 2.479 201 H HA 0.628 5.177 4.556 -0.011 0.000 0.335 201 H C -1.349 173.583 175.328 -0.660 0.000 1.142 201 H CA -0.197 55.569 56.048 -0.471 0.000 1.234 201 H CB 1.973 31.228 29.762 -0.845 0.000 1.503 201 H HN 0.465 nan 8.280 nan 0.000 0.510 202 F N -0.046 119.898 119.950 -0.010 0.000 2.599 202 F HA 0.201 4.721 4.527 -0.011 0.000 0.311 202 F C -0.305 175.559 175.800 0.105 0.000 1.076 202 F CA -0.552 57.451 58.000 0.004 0.000 0.937 202 F CB 1.087 40.032 39.000 -0.093 0.000 1.282 202 F HN 0.576 nan 8.300 nan 0.000 0.460 203 Y N 0.285 120.836 120.300 0.418 0.000 2.896 203 Y HA -0.019 4.524 4.550 -0.011 0.000 0.466 203 Y C 1.378 177.496 175.900 0.363 0.000 1.197 203 Y CA 0.679 58.957 58.100 0.297 0.000 2.513 203 Y CB -1.917 36.643 38.460 0.167 0.000 1.232 203 Y HN 1.306 nan 8.280 nan 0.000 0.632 204 G N 0.703 109.743 108.800 0.400 0.000 2.593 204 G HA2 0.117 4.071 3.960 -0.011 0.000 0.237 204 G HA3 0.117 4.071 3.960 -0.011 0.000 0.237 204 G C -0.522 174.576 174.900 0.330 0.000 1.312 204 G CA 0.953 46.214 45.100 0.268 0.000 0.896 204 G HN 1.378 nan 8.290 nan 0.000 0.574 205 R N -2.576 118.116 120.500 0.320 0.000 2.766 205 R HA 0.714 5.047 4.340 -0.011 0.000 0.270 205 R C -1.548 174.880 176.300 0.213 0.000 1.035 205 R CA -0.808 55.426 56.100 0.223 0.000 0.911 205 R CB 1.188 31.567 30.300 0.132 0.000 1.243 205 R HN 0.994 nan 8.270 nan 0.000 0.460 206 V N 0.910 120.865 119.914 0.068 0.000 2.417 206 V HA 0.371 4.484 4.120 -0.011 0.000 0.291 206 V C -0.316 175.709 176.094 -0.115 0.000 1.024 206 V CA -0.614 61.653 62.300 -0.055 0.000 0.861 206 V CB 1.424 33.131 31.823 -0.194 0.000 0.985 206 V HN 0.667 nan 8.190 nan 0.000 0.436 207 E N 3.186 123.310 120.200 -0.127 0.000 2.151 207 E HA 0.373 4.717 4.350 -0.011 0.000 0.275 207 E C -0.948 175.539 176.600 -0.188 0.000 0.936 207 E CA -0.678 55.670 56.400 -0.088 0.000 0.777 207 E CB 0.904 30.595 29.700 -0.014 0.000 1.108 207 E HN 0.647 nan 8.360 nan 0.000 0.401 208 H N 2.927 122.012 119.070 0.025 0.000 2.741 208 H HA 0.127 4.676 4.556 -0.011 0.000 0.282 208 H C 0.382 175.719 175.328 0.016 0.000 1.122 208 H CA -0.132 55.925 56.048 0.016 0.000 1.293 208 H CB 0.539 30.306 29.762 0.009 0.000 1.415 208 H HN 0.557 nan 8.280 nan 0.000 0.472 209 T N -0.729 113.882 114.554 0.095 0.000 2.888 209 T HA 0.145 4.489 4.350 -0.011 0.000 0.283 209 T C 1.632 176.371 174.700 0.064 0.000 1.013 209 T CA -0.359 61.781 62.100 0.067 0.000 0.938 209 T CB 0.753 69.644 68.868 0.040 0.000 1.298 209 T HN 0.349 nan 8.240 nan 0.000 0.580 210 S N 0.054 115.781 115.700 0.044 0.000 2.370 210 S HA -0.110 4.354 4.470 -0.011 0.000 0.226 210 S C 1.218 175.839 174.600 0.036 0.000 1.033 210 S CA 1.011 59.232 58.200 0.036 0.000 1.011 210 S CB -0.504 62.712 63.200 0.028 0.000 0.852 210 S HN 0.683 nan 8.310 nan 0.000 0.457 211 Q N 0.814 120.635 119.800 0.035 0.000 2.628 211 Q HA 0.570 4.904 4.340 -0.011 0.000 0.397 211 Q C 0.062 176.084 176.000 0.037 0.000 0.916 211 Q CA 0.282 56.105 55.803 0.034 0.000 1.071 211 Q CB 0.572 29.326 28.738 0.027 0.000 1.367 211 Q HN 0.593 nan 8.270 nan 0.000 0.404 212 G N -0.360 108.472 108.800 0.053 0.000 2.440 212 G HA2 0.273 4.226 3.960 -0.011 0.000 0.684 212 G HA3 0.273 4.226 3.960 -0.011 0.000 0.684 212 G C -1.050 173.883 174.900 0.055 0.000 1.309 212 G CA -0.603 44.531 45.100 0.058 0.000 0.931 212 G HN 0.473 nan 8.290 nan 0.000 0.612 213 A N 0.135 122.977 122.820 0.036 0.000 2.286 213 A HA 0.857 5.170 4.320 -0.011 0.000 0.286 213 A C 0.346 177.887 177.584 -0.071 0.000 1.097 213 A CA 0.034 52.021 52.037 -0.083 0.000 0.821 213 A CB 0.962 19.873 19.000 -0.148 0.000 1.076 213 A HN 0.817 nan 8.150 nan 0.000 0.490 214 K N 0.278 120.619 120.400 -0.097 0.000 2.482 214 K HA 0.205 4.519 4.320 -0.011 0.000 0.251 214 K C -1.892 174.743 176.600 0.059 0.000 0.936 214 K CA -0.385 55.895 56.287 -0.013 0.000 0.791 214 K CB 1.860 34.356 32.500 -0.006 0.000 1.213 214 K HN 0.718 nan 8.250 nan 0.000 0.428 215 W N 5.087 126.304 121.300 -0.138 0.000 2.358 215 W HA 0.384 5.037 4.660 -0.011 0.000 0.307 215 W C -1.059 175.395 176.519 -0.108 0.000 1.203 215 W CA -0.620 56.648 57.345 -0.130 0.000 1.279 215 W CB 0.451 29.820 29.460 -0.152 0.000 1.264 215 W HN 0.192 nan 8.180 nan 0.000 0.474 216 V N 6.407 126.411 119.914 0.150 0.000 3.046 216 V HA 0.340 4.454 4.120 -0.011 0.000 0.316 216 V C -0.425 175.647 176.094 -0.036 0.000 1.104 216 V CA -0.602 61.693 62.300 -0.007 0.000 1.006 216 V CB 2.090 33.933 31.823 0.033 0.000 1.058 216 V HN 0.453 nan 8.190 nan 0.000 0.440 217 D N 1.409 121.779 120.400 -0.050 0.000 2.689 217 D HA -0.130 4.503 4.640 -0.011 0.000 0.237 217 D C 0.418 176.673 176.300 -0.075 0.000 1.148 217 D CA 1.359 55.330 54.000 -0.048 0.000 0.656 217 D CB -1.177 39.621 40.800 -0.003 0.000 1.050 217 D HN 0.844 nan 8.370 nan 0.000 0.426 218 T N -3.105 111.360 114.554 -0.148 0.000 2.918 218 T HA 0.395 4.739 4.350 -0.011 0.000 0.283 218 T C 0.247 174.913 174.700 -0.057 0.000 1.001 218 T CA -0.881 61.135 62.100 -0.141 0.000 1.041 218 T CB 2.658 71.278 68.868 -0.413 0.000 1.028 218 T HN 0.191 nan 8.240 nan 0.000 0.511 219 Q N 1.185 121.020 119.800 0.058 0.000 2.256 219 Q HA 0.502 4.835 4.340 -0.011 0.000 0.254 219 Q C -1.393 174.649 176.000 0.070 0.000 0.916 219 Q CA -0.783 55.057 55.803 0.061 0.000 0.932 219 Q CB 1.179 30.037 28.738 0.199 0.000 1.207 219 Q HN 0.626 nan 8.270 nan 0.000 0.426 220 V N 4.383 124.295 119.914 -0.004 0.000 2.472 220 V HA 0.455 4.569 4.120 -0.011 0.000 0.290 220 V C -0.371 175.760 176.094 0.062 0.000 1.037 220 V CA -0.581 61.670 62.300 -0.081 0.000 0.908 220 V CB 1.738 33.473 31.823 -0.146 0.000 0.985 220 V HN 0.629 nan 8.190 nan 0.000 0.454 221 V N 5.801 125.784 119.914 0.115 0.000 2.656 221 V HA 0.501 4.615 4.120 -0.011 0.000 0.307 221 V C -0.257 175.949 176.094 0.187 0.000 1.051 221 V CA -0.619 61.800 62.300 0.198 0.000 0.893 221 V CB 1.979 34.003 31.823 0.335 0.000 0.999 221 V HN 0.634 nan 8.190 nan 0.000 0.426 222 L N 3.222 124.559 121.223 0.190 0.000 2.379 222 L HA 0.825 5.159 4.340 -0.011 0.000 0.269 222 L C 0.353 177.432 176.870 0.349 0.000 1.084 222 L CA -0.485 54.472 54.840 0.195 0.000 0.802 222 L CB 1.444 43.596 42.059 0.155 0.000 1.175 222 L HN 0.750 nan 8.230 nan 0.000 0.448 223 A N 4.005 126.998 122.820 0.288 0.000 2.285 223 A HA 0.614 4.927 4.320 -0.011 0.000 0.310 223 A C -0.614 177.288 177.584 0.530 0.000 1.266 223 A CA -0.453 51.819 52.037 0.392 0.000 0.832 223 A CB 1.080 19.933 19.000 -0.245 0.000 1.163 223 A HN 0.777 nan 8.150 nan 0.000 0.499 224 M N 5.875 125.818 119.600 0.571 0.000 2.129 224 M HA 0.484 4.957 4.480 -0.011 0.000 0.348 224 M C -2.586 173.970 176.300 0.427 0.000 1.116 224 M CA -2.068 53.493 55.300 0.434 0.000 1.022 224 M CB 2.012 34.794 32.600 0.303 0.000 1.599 224 M HN 0.362 nan 8.290 nan 0.000 0.449 225 P HA 0.274 nan 4.420 nan 0.000 0.282 225 P C -1.931 175.304 177.300 -0.109 0.000 1.249 225 P CA -0.050 62.924 63.100 -0.210 0.000 0.806 225 P CB 0.592 31.942 31.700 -0.584 0.000 0.984 226 Y N 0.212 120.423 120.300 -0.148 0.000 2.346 226 Y HA 0.307 4.851 4.550 -0.011 0.000 0.332 226 Y C -0.033 175.851 175.900 -0.027 0.000 0.985 226 Y CA -0.376 57.708 58.100 -0.027 0.000 1.112 226 Y CB 1.446 39.925 38.460 0.031 0.000 1.170 226 Y HN 0.209 nan 8.280 nan 0.000 0.447 227 D N 1.974 122.479 120.400 0.174 0.000 2.177 227 D HA 0.443 5.077 4.640 -0.011 0.000 0.247 227 D C -0.562 175.992 176.300 0.425 0.000 1.063 227 D CA -0.121 54.031 54.000 0.253 0.000 0.867 227 D CB 1.723 42.674 40.800 0.251 0.000 1.168 227 D HN 0.364 nan 8.370 nan 0.000 0.445 228 T N 3.065 117.795 114.554 0.294 0.000 2.841 228 T HA 0.476 4.820 4.350 -0.011 0.000 0.283 228 T C -2.561 172.026 174.700 -0.188 0.000 1.000 228 T CA -1.474 60.702 62.100 0.128 0.000 0.977 228 T CB 2.114 71.028 68.868 0.077 0.000 0.979 228 T HN 0.173 nan 8.240 nan 0.000 0.446 229 P HA 0.321 nan 4.420 nan 0.000 0.275 229 P C -0.978 175.984 177.300 -0.564 0.000 1.227 229 P CA -0.391 62.012 63.100 -1.162 0.000 0.781 229 P CB 0.829 31.614 31.700 -1.525 0.000 0.906 230 V N 5.436 125.079 119.914 -0.451 0.000 2.289 230 V HA 0.247 4.361 4.120 -0.011 0.000 0.272 230 V C -2.031 173.922 176.094 -0.236 0.000 1.026 230 V CA -1.899 60.237 62.300 -0.273 0.000 0.807 230 V CB 1.239 32.956 31.823 -0.178 0.000 1.044 230 V HN 0.546 nan 8.190 nan 0.000 0.443 231 P HA 0.252 nan 4.420 nan 0.000 0.280 231 P C 0.380 177.625 177.300 -0.092 0.000 1.244 231 P CA 0.345 63.347 63.100 -0.163 0.000 0.784 231 P CB 1.600 33.200 31.700 -0.165 0.000 0.913 232 G N 2.316 111.080 108.800 -0.059 0.000 2.572 232 G HA2 0.145 4.098 3.960 -0.011 0.000 0.261 232 G HA3 0.145 4.098 3.960 -0.011 0.000 0.261 232 G C -1.179 173.731 174.900 0.017 0.000 1.197 232 G CA -0.593 44.503 45.100 -0.007 0.000 0.870 232 G HN 0.524 nan 8.290 nan 0.000 0.548 233 Y N 0.624 120.886 120.300 -0.063 0.000 2.624 233 Y HA 0.274 4.817 4.550 -0.011 0.000 0.354 233 Y C 1.243 177.107 175.900 -0.060 0.000 1.051 233 Y CA -0.227 57.832 58.100 -0.068 0.000 1.377 233 Y CB 0.081 38.499 38.460 -0.069 0.000 1.168 233 Y HN 0.726 nan 8.280 nan 0.000 0.525 234 R N 2.745 122.915 120.500 -0.549 0.000 3.627 234 R HA -0.318 4.016 4.340 -0.011 0.000 0.281 234 R C -0.033 176.118 176.300 -0.248 0.000 1.140 234 R CA 1.511 57.322 56.100 -0.481 0.000 0.761 234 R CB -1.942 27.898 30.300 -0.766 0.000 1.181 234 R HN 0.948 nan 8.270 nan 0.000 0.472 235 N N -1.259 117.352 118.700 -0.150 0.000 2.197 235 N HA 0.080 4.814 4.740 -0.011 0.000 0.228 235 N C -0.311 175.155 175.510 -0.075 0.000 1.212 235 N CA -0.425 52.572 53.050 -0.088 0.000 0.883 235 N CB 0.533 38.994 38.487 -0.043 0.000 1.107 235 N HN 0.079 nan 8.380 nan 0.000 0.519 236 N N -0.113 118.538 118.700 -0.082 0.000 2.741 236 N HA -0.131 4.602 4.740 -0.011 0.000 0.250 236 N C -1.177 174.296 175.510 -0.062 0.000 1.115 236 N CA 0.561 53.572 53.050 -0.066 0.000 0.724 236 N CB -1.284 37.166 38.487 -0.062 0.000 1.090 236 N HN 0.210 nan 8.380 nan 0.000 0.558 237 V N 0.837 120.718 119.914 -0.055 0.000 2.435 237 V HA 0.562 4.675 4.120 -0.011 0.000 0.290 237 V C 0.374 176.437 176.094 -0.051 0.000 1.030 237 V CA -0.628 61.646 62.300 -0.043 0.000 0.881 237 V CB 2.421 34.242 31.823 -0.003 0.000 0.983 237 V HN -0.045 nan 8.190 nan 0.000 0.445 238 V N 5.008 124.894 119.914 -0.046 0.000 2.462 238 V HA 0.457 4.570 4.120 -0.011 0.000 0.288 238 V C -0.200 175.871 176.094 -0.038 0.000 1.020 238 V CA -0.852 61.383 62.300 -0.108 0.000 0.857 238 V CB 1.545 33.274 31.823 -0.157 0.000 1.013 238 V HN 0.829 nan 8.190 nan 0.000 0.431 239 N N 1.868 120.522 118.700 -0.075 0.000 2.448 239 N HA 0.596 5.330 4.740 -0.011 0.000 0.274 239 N C -0.056 175.449 175.510 -0.010 0.000 1.239 239 N CA -0.274 52.759 53.050 -0.028 0.000 0.982 239 N CB 1.292 39.728 38.487 -0.085 0.000 1.199 239 N HN 0.609 nan 8.380 nan 0.000 0.576 240 T N 0.702 115.266 114.554 0.017 0.000 2.863 240 T HA 0.428 4.771 4.350 -0.011 0.000 0.285 240 T C -0.341 174.357 174.700 -0.004 0.000 1.009 240 T CA -0.525 61.667 62.100 0.155 0.000 0.989 240 T CB 1.182 70.273 68.868 0.372 0.000 1.004 240 T HN 0.315 nan 8.240 nan 0.000 0.455 241 M N 3.547 123.118 119.600 -0.048 0.000 2.072 241 M HA 0.512 4.986 4.480 -0.011 0.000 0.331 241 M C -0.569 175.618 176.300 -0.188 0.000 1.004 241 M CA -0.754 54.426 55.300 -0.200 0.000 0.952 241 M CB 0.769 33.199 32.600 -0.283 0.000 1.511 241 M HN 0.476 nan 8.290 nan 0.000 0.422 242 R N 4.681 124.968 120.500 -0.354 0.000 2.229 242 R HA 0.548 4.881 4.340 -0.011 0.000 0.332 242 R C -1.934 174.127 176.300 -0.398 0.000 0.989 242 R CA -0.556 55.287 56.100 -0.428 0.000 0.842 242 R CB 0.839 30.704 30.300 -0.724 0.000 1.119 242 R HN 0.642 nan 8.270 nan 0.000 0.456 243 L N 5.594 126.666 121.223 -0.252 0.000 2.313 243 L HA 0.461 4.795 4.340 -0.011 0.000 0.283 243 L C -1.033 175.792 176.870 -0.076 0.000 1.013 243 L CA -0.530 54.254 54.840 -0.095 0.000 0.816 243 L CB 1.164 43.245 42.059 0.036 0.000 1.236 243 L HN 0.617 nan 8.230 nan 0.000 0.419 244 W N 2.324 123.756 121.300 0.219 0.000 2.315 244 W HA 0.591 5.245 4.660 -0.011 0.000 0.316 244 W C 0.560 177.307 176.519 0.379 0.000 1.211 244 W CA -0.231 57.273 57.345 0.264 0.000 1.201 244 W CB 1.356 30.849 29.460 0.055 0.000 1.184 244 W HN 0.403 nan 8.180 nan 0.000 0.544 245 S N 1.647 117.757 115.700 0.682 0.000 2.482 245 S HA 0.753 5.216 4.470 -0.011 0.000 0.303 245 S C -0.421 174.522 174.600 0.572 0.000 1.091 245 S CA -0.719 57.779 58.200 0.496 0.000 1.057 245 S CB 0.638 64.079 63.200 0.401 0.000 1.031 245 S HN 0.508 nan 8.310 nan 0.000 0.485 246 A N 4.679 127.670 122.820 0.284 0.000 2.366 246 A HA 0.646 4.959 4.320 -0.011 0.000 0.272 246 A C -0.078 177.598 177.584 0.154 0.000 1.135 246 A CA -0.228 51.880 52.037 0.119 0.000 0.804 246 A CB 0.366 19.180 19.000 -0.310 0.000 1.064 246 A HN 0.620 nan 8.150 nan 0.000 0.499 247 K N 1.011 121.525 120.400 0.190 0.000 2.422 247 K HA 0.629 4.942 4.320 -0.011 0.000 0.251 247 K C -0.675 175.997 176.600 0.120 0.000 0.933 247 K CA -0.432 55.944 56.287 0.148 0.000 0.798 247 K CB 2.266 34.868 32.500 0.171 0.000 1.238 247 K HN 0.829 nan 8.250 nan 0.000 0.428 248 A N 4.217 127.090 122.820 0.088 0.000 2.331 248 A HA 0.530 4.844 4.320 -0.011 0.000 0.283 248 A C -2.221 175.412 177.584 0.082 0.000 1.142 248 A CA -1.271 50.813 52.037 0.079 0.000 0.812 248 A CB -0.013 19.022 19.000 0.058 0.000 1.074 248 A HN 0.341 nan 8.150 nan 0.000 0.497 249 P HA 0.136 nan 4.420 nan 0.000 0.274 249 P C -0.234 177.112 177.300 0.077 0.000 1.231 249 P CA -0.236 62.915 63.100 0.085 0.000 0.790 249 P CB 0.546 32.305 31.700 0.099 0.000 0.951 250 N N 0.332 119.068 118.700 0.061 0.000 2.463 250 N HA -0.098 4.636 4.740 -0.011 0.000 0.181 250 N C 1.136 176.674 175.510 0.047 0.000 1.078 250 N CA 0.194 53.274 53.050 0.051 0.000 0.902 250 N CB -0.078 38.433 38.487 0.041 0.000 0.970 250 N HN 0.592 nan 8.380 nan 0.000 0.451 251 D N 1.078 121.503 120.400 0.042 0.000 2.099 251 D HA -0.124 4.509 4.640 -0.011 0.000 0.278 251 D C 1.448 177.774 176.300 0.043 0.000 1.140 251 D CA 0.362 54.359 54.000 -0.004 0.000 0.894 251 D CB -0.955 39.805 40.800 -0.067 0.000 0.945 251 D HN 0.079 nan 8.370 nan 0.000 0.338 252 F N 0.684 120.653 119.950 0.032 0.000 2.135 252 F HA -0.246 4.274 4.527 -0.011 0.000 0.300 252 F C 1.580 177.405 175.800 0.042 0.000 1.074 252 F CA 1.372 59.396 58.000 0.041 0.000 1.262 252 F CB -0.439 38.584 39.000 0.038 0.000 1.013 252 F HN 0.067 nan 8.300 nan 0.000 0.489 253 N N 0.594 119.431 118.700 0.228 0.000 2.906 253 N HA 0.054 4.787 4.740 -0.011 0.000 0.282 253 N C 0.587 176.154 175.510 0.095 0.000 1.293 253 N CA 0.111 53.242 53.050 0.134 0.000 1.059 253 N CB 0.052 38.595 38.487 0.094 0.000 1.388 253 N HN 0.140 nan 8.380 nan 0.000 0.533 254 L N -0.888 120.408 121.223 0.122 0.000 1.471 254 L HA -0.099 4.234 4.340 -0.011 0.000 0.149 254 L C 1.350 178.292 176.870 0.121 0.000 1.322 254 L CA 0.824 55.723 54.840 0.099 0.000 1.269 254 L CB -0.960 41.146 42.059 0.077 0.000 2.567 254 L HN 0.237 nan 8.230 nan 0.000 0.480 255 K N 0.360 120.811 120.400 0.085 0.000 2.288 255 K HA -0.048 4.265 4.320 -0.011 0.000 0.201 255 K C 0.499 177.165 176.600 0.110 0.000 1.048 255 K CA 1.117 57.403 56.287 -0.002 0.000 0.956 255 K CB -0.051 32.315 32.500 -0.223 0.000 0.746 255 K HN 0.152 nan 8.250 nan 0.000 0.461 256 D N 2.145 122.733 120.400 0.313 0.000 2.441 256 D HA -0.024 4.609 4.640 -0.011 0.000 0.243 256 D C -0.146 176.388 176.300 0.389 0.000 1.257 256 D CA -0.118 54.159 54.000 0.462 0.000 1.027 256 D CB -0.154 40.916 40.800 0.451 0.000 1.084 256 D HN 0.190 nan 8.370 nan 0.000 0.514 257 F N 1.215 121.217 119.950 0.086 0.000 2.331 257 F HA 0.295 4.816 4.527 -0.011 0.000 0.293 257 F C 0.593 176.426 175.800 0.056 0.000 1.277 257 F CA -1.916 56.120 58.000 0.060 0.000 1.204 257 F CB -0.382 38.640 39.000 0.037 0.000 1.374 257 F HN 0.331 nan 8.300 nan 0.000 0.520 258 N N -0.566 118.017 118.700 -0.195 0.000 3.251 258 N HA 0.063 4.796 4.740 -0.011 0.000 0.258 258 N C -1.592 173.858 175.510 -0.100 0.000 1.076 258 N CA 0.501 53.373 53.050 -0.295 0.000 0.671 258 N CB -0.938 37.237 38.487 -0.519 0.000 1.089 258 N HN 0.847 nan 8.380 nan 0.000 0.583 259 V N -1.536 118.367 119.914 -0.018 0.000 3.670 259 V HA -0.044 4.070 4.120 -0.011 0.000 0.524 259 V C 1.415 177.520 176.094 0.017 0.000 0.682 259 V CA 1.610 63.914 62.300 0.007 0.000 2.081 259 V CB -0.907 30.909 31.823 -0.011 0.000 2.492 259 V HN 1.073 nan 8.190 nan 0.000 0.515 260 G N 0.533 109.350 108.800 0.030 0.000 3.511 260 G HA2 0.643 4.597 3.960 -0.011 0.000 0.218 260 G HA3 0.643 4.597 3.960 -0.011 0.000 0.218 260 G C 1.025 175.947 174.900 0.036 0.000 1.001 260 G CA 1.123 46.240 45.100 0.027 0.000 0.877 260 G HN 3.100 nan 8.290 nan 0.000 0.450 261 G N -1.089 107.748 108.800 0.061 0.000 3.055 261 G HA2 0.265 4.219 3.960 -0.011 0.000 0.685 261 G HA3 0.265 4.219 3.960 -0.011 0.000 0.685 261 G C -0.094 174.866 174.900 0.101 0.000 1.212 261 G CA 0.222 45.369 45.100 0.078 0.000 0.822 261 G HN 1.499 nan 8.290 nan 0.000 0.610 262 Y N 3.236 123.553 120.300 0.028 0.000 2.220 262 Y HA 0.056 4.600 4.550 -0.011 0.000 0.291 262 Y C 2.492 178.408 175.900 0.027 0.000 1.129 262 Y CA 2.037 60.155 58.100 0.031 0.000 1.161 262 Y CB 0.008 38.484 38.460 0.027 0.000 0.997 262 Y HN 0.489 nan 8.280 nan 0.000 0.522 263 I N 0.572 121.094 120.570 -0.081 0.000 2.142 263 I HA -0.290 3.874 4.170 -0.011 0.000 0.240 263 I C 2.377 178.399 176.117 -0.159 0.000 1.078 263 I CA 1.427 62.628 61.300 -0.165 0.000 1.343 263 I CB -1.343 36.664 38.000 0.011 0.000 1.046 263 I HN 0.349 nan 8.210 nan 0.000 0.405 264 Q N 0.711 120.468 119.800 -0.073 0.000 2.096 264 Q HA -0.164 4.170 4.340 -0.011 0.000 0.204 264 Q C 2.364 178.320 176.000 -0.072 0.000 0.982 264 Q CA 2.095 57.867 55.803 -0.052 0.000 0.850 264 Q CB -0.437 28.291 28.738 -0.016 0.000 0.901 264 Q HN 0.546 nan 8.270 nan 0.000 0.422 265 A N -0.245 122.522 122.820 -0.088 0.000 1.908 265 A HA -0.152 4.162 4.320 -0.011 0.000 0.218 265 A C 2.395 179.911 177.584 -0.114 0.000 1.181 265 A CA 1.793 53.785 52.037 -0.075 0.000 0.627 265 A CB -0.648 18.323 19.000 -0.048 0.000 0.818 265 A HN 0.244 nan 8.150 nan 0.000 0.445 266 V N 0.024 119.803 119.914 -0.224 0.000 2.379 266 V HA -0.193 3.921 4.120 -0.011 0.000 0.245 266 V C 2.474 178.505 176.094 -0.106 0.000 1.044 266 V CA 1.712 63.892 62.300 -0.199 0.000 1.036 266 V CB -0.669 30.955 31.823 -0.331 0.000 0.664 266 V HN 0.566 nan 8.190 nan 0.000 0.453 267 L N -0.263 120.902 121.223 -0.096 0.000 2.201 267 L HA -0.115 4.219 4.340 -0.011 0.000 0.212 267 L C 1.817 178.669 176.870 -0.031 0.000 1.105 267 L CA 1.100 55.909 54.840 -0.051 0.000 0.775 267 L CB -0.585 41.449 42.059 -0.042 0.000 0.913 267 L HN 0.320 nan 8.230 nan 0.000 0.440 268 D N -0.041 120.339 120.400 -0.034 0.000 2.363 268 D HA -0.044 4.590 4.640 -0.011 0.000 0.226 268 D C 2.073 178.367 176.300 -0.009 0.000 1.020 268 D CA 0.387 54.376 54.000 -0.018 0.000 0.892 268 D CB 0.096 40.886 40.800 -0.016 0.000 0.900 268 D HN 0.200 nan 8.370 nan 0.000 0.531 269 R N 0.286 120.780 120.500 -0.010 0.000 2.148 269 R HA 0.038 4.372 4.340 -0.011 0.000 0.227 269 R C 0.315 176.621 176.300 0.009 0.000 1.103 269 R CA 0.452 56.555 56.100 0.005 0.000 0.983 269 R CB 0.021 30.324 30.300 0.005 0.000 0.874 269 R HN 0.039 nan 8.270 nan 0.000 0.451 270 N N 1.112 119.816 118.700 0.006 0.000 3.050 270 N HA 0.023 4.756 4.740 -0.011 0.000 0.289 270 N C 0.046 175.560 175.510 0.007 0.000 1.209 270 N CA 0.463 53.521 53.050 0.013 0.000 1.154 270 N CB 1.128 39.626 38.487 0.018 0.000 1.444 270 N HN 0.114 nan 8.380 nan 0.000 0.529 271 L N -0.423 120.800 121.223 -0.000 0.000 2.726 271 L HA 0.207 4.540 4.340 -0.011 0.000 0.287 271 L C 1.629 178.482 176.870 -0.027 0.000 1.047 271 L CA 0.447 55.281 54.840 -0.009 0.000 1.304 271 L CB -0.310 41.744 42.059 -0.009 0.000 2.440 271 L HN 0.244 nan 8.230 nan 0.000 0.569 272 A N -0.676 122.131 122.820 -0.022 0.000 2.030 272 A HA 0.081 4.394 4.320 -0.011 0.000 0.215 272 A C 1.636 179.184 177.584 -0.061 0.000 1.164 272 A CA 0.929 52.941 52.037 -0.041 0.000 0.697 272 A CB -0.152 18.852 19.000 0.007 0.000 0.827 272 A HN 0.428 nan 8.150 nan 0.000 0.457 273 E N 0.162 120.347 120.200 -0.024 0.000 2.489 273 E HA -0.007 4.337 4.350 -0.011 0.000 0.193 273 E C 0.646 177.238 176.600 -0.013 0.000 1.057 273 E CA -0.156 56.234 56.400 -0.016 0.000 0.866 273 E CB -0.018 29.696 29.700 0.024 0.000 0.916 273 E HN 0.383 nan 8.360 nan 0.000 0.500 274 N N 0.803 119.493 118.700 -0.016 0.000 2.494 274 N HA 0.012 4.745 4.740 -0.011 0.000 0.182 274 N C 1.476 176.990 175.510 0.006 0.000 1.076 274 N CA 0.398 53.458 53.050 0.017 0.000 0.908 274 N CB 0.131 38.627 38.487 0.015 0.000 0.967 274 N HN 0.241 nan 8.380 nan 0.000 0.449 275 I N 0.070 120.586 120.570 -0.090 0.000 2.361 275 I HA -0.203 3.960 4.170 -0.011 0.000 0.251 275 I C 1.191 177.273 176.117 -0.058 0.000 1.133 275 I CA 1.085 62.299 61.300 -0.144 0.000 1.413 275 I CB -0.040 37.710 38.000 -0.416 0.000 1.073 275 I HN 0.102 nan 8.210 nan 0.000 0.424 276 S N -0.714 114.953 115.700 -0.055 0.000 2.601 276 S HA 0.207 4.670 4.470 -0.011 0.000 0.244 276 S C 1.408 176.141 174.600 0.222 0.000 1.001 276 S CA -0.611 57.637 58.200 0.081 0.000 0.984 276 S CB 0.281 63.501 63.200 0.034 0.000 0.842 276 S HN 0.199 nan 8.310 nan 0.000 0.474 277 R N 1.320 121.956 120.500 0.226 0.000 2.062 277 R HA 0.268 4.602 4.340 -0.011 0.000 0.229 277 R C 0.456 177.010 176.300 0.422 0.000 1.128 277 R CA 1.241 57.515 56.100 0.289 0.000 0.960 277 R CB -0.219 30.222 30.300 0.236 0.000 0.855 277 R HN 0.397 nan 8.270 nan 0.000 0.432 278 V N 0.209 120.331 119.914 0.346 0.000 2.971 278 V HA 0.390 4.503 4.120 -0.011 0.000 0.309 278 V C -1.504 174.541 176.094 -0.082 0.000 1.130 278 V CA -1.366 61.060 62.300 0.210 0.000 0.964 278 V CB 1.805 33.684 31.823 0.092 0.000 1.029 278 V HN 0.181 nan 8.190 nan 0.000 0.427 279 L N 5.793 126.754 121.223 -0.438 0.000 2.397 279 L HA 0.508 4.842 4.340 -0.011 0.000 0.271 279 L C -0.974 175.729 176.870 -0.278 0.000 1.148 279 L CA 0.347 54.742 54.840 -0.741 0.000 0.825 279 L CB 0.785 42.347 42.059 -0.829 0.000 1.117 279 L HN 0.694 nan 8.230 nan 0.000 0.456 280 Y N 6.003 126.210 120.300 -0.156 0.000 2.436 280 Y HA 0.259 4.803 4.550 -0.011 0.000 0.336 280 Y C -1.456 174.433 175.900 -0.019 0.000 1.049 280 Y CA -1.477 56.607 58.100 -0.028 0.000 1.294 280 Y CB 0.544 39.014 38.460 0.017 0.000 1.179 280 Y HN 0.551 nan 8.280 nan 0.000 0.520 281 P HA 0.012 nan 4.420 nan 0.000 0.249 281 P C -0.878 176.537 177.300 0.191 0.000 1.593 281 P CA 0.162 63.351 63.100 0.148 0.000 0.896 281 P CB 0.013 31.892 31.700 0.299 0.000 1.581 282 N N 1.329 120.157 118.700 0.213 0.000 2.422 282 N HA 0.163 4.896 4.740 -0.011 0.000 0.266 282 N C -0.677 174.982 175.510 0.247 0.000 1.007 282 N CA 0.074 53.275 53.050 0.251 0.000 0.941 282 N CB 0.967 39.647 38.487 0.322 0.000 1.115 282 N HN 0.074 nan 8.380 nan 0.000 0.492 283 D N 1.148 121.724 120.400 0.294 0.000 2.303 283 D HA 0.225 4.859 4.640 -0.011 0.000 0.236 283 D C -0.235 176.362 176.300 0.495 0.000 1.068 283 D CA -0.309 53.895 54.000 0.340 0.000 0.830 283 D CB 0.274 41.278 40.800 0.340 0.000 1.109 283 D HN 0.302 nan 8.370 nan 0.000 0.496 284 N N 2.949 121.859 118.700 0.349 0.000 2.725 284 N HA -0.250 4.484 4.740 -0.011 0.000 0.251 284 N C -1.375 174.370 175.510 0.392 0.000 1.031 284 N CA 0.734 53.956 53.050 0.287 0.000 0.720 284 N CB -0.813 37.765 38.487 0.152 0.000 0.930 284 N HN 0.394 nan 8.380 nan 0.000 0.543 285 F N 0.451 120.514 119.950 0.190 0.000 2.635 285 F HA 0.453 4.974 4.527 -0.011 0.000 0.314 285 F C -1.416 174.478 175.800 0.157 0.000 1.119 285 F CA -1.058 57.029 58.000 0.144 0.000 1.000 285 F CB 1.021 40.073 39.000 0.087 0.000 1.278 285 F HN -0.033 nan 8.300 nan 0.000 0.446 286 F N 5.614 125.094 119.950 -0.784 0.000 2.415 286 F HA 0.524 5.044 4.527 -0.011 0.000 0.348 286 F C -0.581 174.869 175.800 -0.584 0.000 1.119 286 F CA -0.142 57.526 58.000 -0.553 0.000 1.069 286 F CB 0.889 39.591 39.000 -0.496 0.000 1.124 286 F HN 0.495 nan 8.300 nan 0.000 0.472 287 E N 3.950 123.573 120.200 -0.961 0.000 2.182 287 E HA 0.246 4.590 4.350 -0.011 0.000 0.258 287 E C -0.253 175.614 176.600 -1.221 0.000 0.879 287 E CA -0.683 55.247 56.400 -0.783 0.000 0.754 287 E CB 1.568 31.160 29.700 -0.180 0.000 1.162 287 E HN 0.933 nan 8.360 nan 0.000 0.419 288 G N 4.630 112.654 108.800 -1.294 0.000 3.213 288 G HA2 0.026 3.980 3.960 -0.011 0.000 0.263 288 G HA3 0.026 3.980 3.960 -0.011 0.000 0.263 288 G C 0.081 174.933 174.900 -0.080 0.000 0.829 288 G CA -0.196 44.355 45.100 -0.914 0.000 1.983 288 G HN 0.127 nan 8.290 nan 0.000 0.616 289 K N 0.444 120.852 120.400 0.013 0.000 2.110 289 K HA 0.215 4.529 4.320 -0.011 0.000 0.263 289 K C 0.951 177.680 176.600 0.216 0.000 0.975 289 K CA -0.810 55.555 56.287 0.130 0.000 0.895 289 K CB 2.190 34.764 32.500 0.123 0.000 1.060 289 K HN 0.405 nan 8.250 nan 0.000 0.448 290 E N 1.357 121.645 120.200 0.146 0.000 2.110 290 E HA -0.194 4.149 4.350 -0.011 0.000 0.193 290 E C 1.462 178.080 176.600 0.029 0.000 0.988 290 E CA 0.870 57.304 56.400 0.058 0.000 0.804 290 E CB 0.174 29.911 29.700 0.062 0.000 0.745 290 E HN 0.383 nan 8.360 nan 0.000 0.458 291 L N 1.379 122.665 121.223 0.105 0.000 2.079 291 L HA -0.174 4.159 4.340 -0.011 0.000 0.210 291 L C 2.361 179.321 176.870 0.150 0.000 1.081 291 L CA 1.578 56.502 54.840 0.140 0.000 0.752 291 L CB -0.520 41.694 42.059 0.258 0.000 0.896 291 L HN 0.018 nan 8.230 nan 0.000 0.433 292 R N -0.554 119.981 120.500 0.059 0.000 2.066 292 R HA -0.108 4.226 4.340 -0.011 0.000 0.232 292 R C 2.208 178.536 176.300 0.046 0.000 1.131 292 R CA 1.631 57.694 56.100 -0.061 0.000 0.955 292 R CB -1.240 28.886 30.300 -0.289 0.000 0.851 292 R HN 0.408 nan 8.270 nan 0.000 0.432 293 L N 1.491 122.638 121.223 -0.128 0.000 2.042 293 L HA -0.143 4.190 4.340 -0.011 0.000 0.210 293 L C 1.942 178.745 176.870 -0.112 0.000 1.076 293 L CA 1.914 56.484 54.840 -0.451 0.000 0.749 293 L CB -0.428 41.075 42.059 -0.927 0.000 0.893 293 L HN 0.061 nan 8.230 nan 0.000 0.432 294 K N -1.056 119.328 120.400 -0.027 0.000 2.057 294 K HA -0.199 4.114 4.320 -0.011 0.000 0.207 294 K C 2.099 178.853 176.600 0.256 0.000 1.049 294 K CA 1.833 58.179 56.287 0.098 0.000 0.931 294 K CB -0.171 32.231 32.500 -0.163 0.000 0.714 294 K HN 0.502 nan 8.250 nan 0.000 0.440 295 Q N 0.461 120.381 119.800 0.199 0.000 2.084 295 Q HA -0.188 4.146 4.340 -0.011 0.000 0.202 295 Q C 1.940 178.136 176.000 0.326 0.000 0.978 295 Q CA 1.401 57.380 55.803 0.293 0.000 0.844 295 Q CB -0.003 28.928 28.738 0.321 0.000 0.898 295 Q HN 0.378 nan 8.270 nan 0.000 0.426 296 E N -0.187 120.155 120.200 0.237 0.000 2.077 296 E HA -0.212 4.131 4.350 -0.011 0.000 0.193 296 E C 1.718 178.421 176.600 0.171 0.000 0.989 296 E CA 1.058 57.579 56.400 0.200 0.000 0.800 296 E CB -0.116 29.679 29.700 0.159 0.000 0.746 296 E HN 0.321 nan 8.360 nan 0.000 0.452 297 Y N 0.338 120.678 120.300 0.068 0.000 2.220 297 Y HA -0.204 4.339 4.550 -0.011 0.000 0.291 297 Y C 1.961 177.889 175.900 0.046 0.000 1.129 297 Y CA 1.088 59.181 58.100 -0.011 0.000 1.161 297 Y CB -0.410 38.007 38.460 -0.072 0.000 0.997 297 Y HN 0.026 nan 8.280 nan 0.000 0.522 298 F N -0.240 119.703 119.950 -0.011 0.000 2.065 298 F HA -0.258 4.262 4.527 -0.011 0.000 0.298 298 F C 2.458 178.106 175.800 -0.253 0.000 1.112 298 F CA 2.100 60.054 58.000 -0.076 0.000 1.212 298 F CB -1.053 38.057 39.000 0.183 0.000 0.975 298 F HN -0.058 nan 8.300 nan 0.000 0.476 299 V N -0.486 119.355 119.914 -0.121 0.000 2.515 299 V HA -0.178 3.936 4.120 -0.011 0.000 0.250 299 V C 2.133 178.027 176.094 -0.334 0.000 1.058 299 V CA 1.804 63.972 62.300 -0.220 0.000 1.064 299 V CB -0.307 31.618 31.823 0.170 0.000 0.675 299 V HN 0.275 nan 8.190 nan 0.000 0.461 300 V N 0.386 120.126 119.914 -0.291 0.000 2.323 300 V HA -0.135 3.979 4.120 -0.011 0.000 0.244 300 V C 2.802 178.613 176.094 -0.472 0.000 1.041 300 V CA 2.017 64.138 62.300 -0.298 0.000 1.025 300 V CB -0.999 30.713 31.823 -0.185 0.000 0.656 300 V HN 0.627 nan 8.190 nan 0.000 0.451 301 A N -0.099 122.280 122.820 -0.736 0.000 1.902 301 A HA -0.107 4.206 4.320 -0.011 0.000 0.217 301 A C 2.388 179.585 177.584 -0.646 0.000 1.181 301 A CA 2.138 53.736 52.037 -0.733 0.000 0.623 301 A CB -0.779 17.556 19.000 -1.108 0.000 0.818 301 A HN 0.559 nan 8.150 nan 0.000 0.443 302 A N -1.105 121.167 122.820 -0.913 0.000 1.898 302 A HA -0.043 4.271 4.320 -0.011 0.000 0.216 302 A C 2.301 179.323 177.584 -0.936 0.000 1.181 302 A CA 2.193 53.514 52.037 -1.193 0.000 0.620 302 A CB -1.250 16.436 19.000 -2.190 0.000 0.819 302 A HN 0.421 nan 8.150 nan 0.000 0.442 303 T N 0.482 114.585 114.554 -0.753 0.000 2.746 303 T HA -0.096 4.247 4.350 -0.011 0.000 0.267 303 T C 1.812 176.198 174.700 -0.523 0.000 1.039 303 T CA 1.457 63.239 62.100 -0.530 0.000 1.142 303 T CB -0.356 68.198 68.868 -0.524 0.000 0.866 303 T HN 0.336 nan 8.240 nan 0.000 0.444 304 L N 0.561 121.536 121.223 -0.413 0.000 2.056 304 L HA -0.120 4.213 4.340 -0.011 0.000 0.207 304 L C 2.941 179.681 176.870 -0.217 0.000 1.078 304 L CA 1.322 55.984 54.840 -0.296 0.000 0.749 304 L CB -0.463 41.461 42.059 -0.224 0.000 0.901 304 L HN 0.317 nan 8.230 nan 0.000 0.433 305 Q N -0.556 119.113 119.800 -0.217 0.000 2.124 305 Q HA -0.258 4.076 4.340 -0.011 0.000 0.202 305 Q C 1.732 177.691 176.000 -0.068 0.000 0.977 305 Q CA 1.784 57.515 55.803 -0.120 0.000 0.850 305 Q CB -0.083 28.577 28.738 -0.131 0.000 0.901 305 Q HN 0.402 nan 8.270 nan 0.000 0.429 306 D N 0.377 120.722 120.400 -0.092 0.000 2.144 306 D HA -0.083 4.550 4.640 -0.011 0.000 0.200 306 D C 1.643 177.878 176.300 -0.108 0.000 0.978 306 D CA 0.784 54.772 54.000 -0.019 0.000 0.833 306 D CB 0.018 40.919 40.800 0.170 0.000 0.961 306 D HN 0.160 nan 8.370 nan 0.000 0.470 307 I N 0.042 120.455 120.570 -0.262 0.000 2.179 307 I HA -0.222 3.941 4.170 -0.011 0.000 0.242 307 I C 2.225 178.351 176.117 0.014 0.000 1.088 307 I CA 0.756 61.853 61.300 -0.339 0.000 1.357 307 I CB -0.104 37.544 38.000 -0.586 0.000 1.051 307 I HN 0.040 nan 8.210 nan 0.000 0.409 308 I N 0.279 120.909 120.570 0.100 0.000 2.394 308 I HA -0.259 3.904 4.170 -0.011 0.000 0.251 308 I C 2.751 179.027 176.117 0.265 0.000 1.136 308 I CA 0.953 62.429 61.300 0.294 0.000 1.425 308 I CB -0.357 37.772 38.000 0.215 0.000 1.079 308 I HN 0.196 nan 8.210 nan 0.000 0.425 309 R N 1.223 121.807 120.500 0.139 0.000 2.081 309 R HA -0.194 4.139 4.340 -0.011 0.000 0.235 309 R C 2.424 178.791 176.300 0.112 0.000 1.131 309 R CA 1.491 57.661 56.100 0.116 0.000 0.960 309 R CB -0.218 30.131 30.300 0.083 0.000 0.856 309 R HN 0.229 nan 8.270 nan 0.000 0.436 310 R N -0.501 120.059 120.500 0.100 0.000 2.081 310 R HA -0.162 4.171 4.340 -0.011 0.000 0.235 310 R C 2.184 178.581 176.300 0.162 0.000 1.131 310 R CA 1.764 57.929 56.100 0.108 0.000 0.960 310 R CB -0.410 29.939 30.300 0.082 0.000 0.856 310 R HN 0.265 nan 8.270 nan 0.000 0.436 311 F N 1.803 121.795 119.950 0.071 0.000 2.102 311 F HA -0.142 4.379 4.527 -0.011 0.000 0.298 311 F C 1.721 177.534 175.800 0.020 0.000 1.105 311 F CA 1.541 59.576 58.000 0.059 0.000 1.239 311 F CB -0.078 39.019 39.000 0.161 0.000 0.991 311 F HN -0.138 nan 8.300 nan 0.000 0.474 312 K N 0.067 120.443 120.400 -0.040 0.000 2.281 312 K HA -0.125 4.189 4.320 -0.011 0.000 0.203 312 K C 2.086 178.580 176.600 -0.176 0.000 1.046 312 K CA 1.311 57.492 56.287 -0.176 0.000 0.938 312 K CB -0.257 32.255 32.500 0.020 0.000 0.737 312 K HN 0.315 nan 8.250 nan 0.000 0.458 313 S N 0.255 115.905 115.700 -0.084 0.000 2.310 313 S HA -0.019 4.445 4.470 -0.011 0.000 0.205 313 S C 0.764 175.307 174.600 -0.095 0.000 1.020 313 S CA -0.140 58.049 58.200 -0.018 0.000 0.939 313 S CB -0.025 63.245 63.200 0.116 0.000 0.919 313 S HN 0.264 nan 8.310 nan 0.000 0.501 325 N N 1.071 119.782 118.700 0.018 0.000 2.406 325 N HA 0.401 5.134 4.740 -0.011 0.000 0.251 325 N C 0.204 175.797 175.510 0.137 0.000 1.069 325 N CA -0.519 52.598 53.050 0.111 0.000 0.947 325 N CB 0.434 38.972 38.487 0.085 0.000 1.111 325 N HN 0.386 nan 8.380 nan 0.000 0.497 326 F N 0.665 120.712 119.950 0.161 0.000 2.804 326 F HA 0.025 4.545 4.527 -0.011 0.000 0.303 326 F C 1.607 177.473 175.800 0.110 0.000 1.154 326 F CA 0.126 58.211 58.000 0.143 0.000 1.401 326 F CB 0.185 39.151 39.000 -0.057 0.000 1.106 326 F HN 0.561 nan 8.300 nan 0.000 0.568 327 D N 0.386 120.924 120.400 0.230 0.000 2.178 327 D HA -0.148 4.485 4.640 -0.011 0.000 0.201 327 D C 2.157 178.541 176.300 0.141 0.000 0.980 327 D CA 1.268 55.358 54.000 0.151 0.000 0.842 327 D CB 0.082 40.947 40.800 0.109 0.000 0.948 327 D HN 0.325 nan 8.370 nan 0.000 0.472 328 A N -0.166 122.761 122.820 0.178 0.000 2.251 328 A HA 0.051 4.365 4.320 -0.011 0.000 0.209 328 A C 1.627 179.292 177.584 0.136 0.000 1.187 328 A CA -0.308 51.827 52.037 0.162 0.000 0.823 328 A CB -0.634 18.479 19.000 0.188 0.000 0.846 328 A HN 0.137 nan 8.150 nan 0.000 0.486 329 F N 1.960 121.834 119.950 -0.127 0.000 2.065 329 F HA -0.139 4.381 4.527 -0.011 0.000 0.298 329 F C -0.739 174.921 175.800 -0.234 0.000 1.112 329 F CA 2.518 60.232 58.000 -0.477 0.000 1.212 329 F CB -0.528 38.244 39.000 -0.380 0.000 0.975 329 F HN 0.205 nan 8.300 nan 0.000 0.476 330 P HA -0.106 nan 4.420 nan 0.000 0.225 330 P C 0.667 177.892 177.300 -0.124 0.000 1.148 330 P CA 1.471 64.504 63.100 -0.111 0.000 0.779 330 P CB -0.084 31.595 31.700 -0.035 0.000 0.780 331 D N -0.944 119.406 120.400 -0.084 0.000 2.323 331 D HA -0.025 4.609 4.640 -0.011 0.000 0.209 331 D C 1.490 177.753 176.300 -0.061 0.000 0.973 331 D CA 0.884 54.855 54.000 -0.047 0.000 0.874 331 D CB 0.114 40.914 40.800 -0.001 0.000 0.930 331 D HN 0.129 nan 8.370 nan 0.000 0.521 332 K N -0.189 120.140 120.400 -0.119 0.000 2.412 332 K HA 0.222 4.535 4.320 -0.011 0.000 0.202 332 K C -0.129 176.352 176.600 -0.198 0.000 1.102 332 K CA 0.053 56.284 56.287 -0.093 0.000 1.027 332 K CB 2.386 34.932 32.500 0.076 0.000 0.931 332 K HN -0.077 nan 8.250 nan 0.000 0.557 333 V N 1.029 120.722 119.914 -0.368 0.000 2.638 333 V HA 0.655 4.769 4.120 -0.011 0.000 0.306 333 V C -1.192 174.779 176.094 -0.205 0.000 1.052 333 V CA -1.211 60.879 62.300 -0.351 0.000 0.885 333 V CB 1.871 33.194 31.823 -0.833 0.000 0.999 333 V HN 0.123 nan 8.190 nan 0.000 0.424 334 A N 5.279 128.041 122.820 -0.096 0.000 2.353 334 A HA 0.909 5.222 4.320 -0.011 0.000 0.299 334 A C -1.037 176.553 177.584 0.009 0.000 1.089 334 A CA -0.458 51.553 52.037 -0.043 0.000 0.736 334 A CB 1.235 20.153 19.000 -0.136 0.000 1.195 334 A HN 1.251 nan 8.150 nan 0.000 0.447 335 I N 0.793 121.427 120.570 0.106 0.000 2.382 335 I HA 0.685 4.849 4.170 -0.011 0.000 0.286 335 I C -0.597 175.608 176.117 0.148 0.000 1.002 335 I CA -0.408 60.977 61.300 0.141 0.000 1.135 335 I CB 1.824 39.896 38.000 0.119 0.000 1.288 335 I HN 0.540 nan 8.210 nan 0.000 0.448 336 Q N 5.935 125.820 119.800 0.142 0.000 2.278 336 Q HA 0.527 4.861 4.340 -0.011 0.000 0.257 336 Q C -1.615 174.392 176.000 0.011 0.000 0.928 336 Q CA -0.420 55.500 55.803 0.195 0.000 0.932 336 Q CB 1.412 30.382 28.738 0.386 0.000 1.221 336 Q HN 0.765 nan 8.270 nan 0.000 0.434 337 L N 4.322 125.593 121.223 0.079 0.000 2.261 337 L HA 0.321 4.655 4.340 -0.011 0.000 0.289 337 L C -0.210 176.698 176.870 0.063 0.000 1.059 337 L CA -0.162 54.714 54.840 0.060 0.000 0.816 337 L CB 0.542 42.682 42.059 0.136 0.000 1.191 337 L HN 0.617 nan 8.230 nan 0.000 0.431 338 N N 4.145 122.804 118.700 -0.068 0.000 2.605 338 N HA 0.145 4.878 4.740 -0.011 0.000 0.258 338 N C -0.159 175.390 175.510 0.065 0.000 1.156 338 N CA 0.502 53.568 53.050 0.027 0.000 1.008 338 N CB -0.197 38.232 38.487 -0.098 0.000 1.354 338 N HN 0.572 nan 8.380 nan 0.000 0.509 339 D N -0.641 119.891 120.400 0.221 0.000 4.348 339 D HA -0.212 4.421 4.640 -0.011 0.000 0.289 339 D C 0.371 176.752 176.300 0.135 0.000 2.184 339 D CA 1.421 55.528 54.000 0.178 0.000 1.217 339 D CB -0.683 39.936 40.800 -0.302 0.000 0.994 339 D HN 0.440 nan 8.370 nan 0.000 1.193 340 T N -2.425 112.112 114.554 -0.028 0.000 3.107 340 T HA 0.135 4.479 4.350 -0.011 0.000 0.249 340 T C 1.644 176.392 174.700 0.080 0.000 1.096 340 T CA 1.469 63.542 62.100 -0.046 0.000 1.012 340 T CB -0.490 68.329 68.868 -0.083 0.000 0.977 340 T HN 0.497 nan 8.240 nan 0.000 0.527 341 H N 2.675 121.823 119.070 0.131 0.000 2.319 341 H HA -0.016 4.534 4.556 -0.011 0.000 0.297 341 H C -0.802 174.607 175.328 0.134 0.000 1.097 341 H CA 1.194 57.337 56.048 0.159 0.000 1.285 341 H CB -0.939 28.919 29.762 0.160 0.000 1.368 341 H HN 0.435 nan 8.280 nan 0.000 0.495 342 P HA 0.052 nan 4.420 nan 0.000 0.258 342 P C 0.872 178.209 177.300 0.061 0.000 1.416 342 P CA 0.458 63.630 63.100 0.121 0.000 0.927 342 P CB 0.236 31.997 31.700 0.101 0.000 1.444 343 S N -0.154 115.575 115.700 0.047 0.000 2.440 343 S HA -0.135 4.328 4.470 -0.011 0.000 0.238 343 S C 1.667 176.269 174.600 0.003 0.000 1.010 343 S CA 0.866 59.056 58.200 -0.015 0.000 0.972 343 S CB -1.518 61.648 63.200 -0.057 0.000 0.774 343 S HN 0.163 nan 8.310 nan 0.000 0.501 344 L N 0.819 122.060 121.223 0.030 0.000 2.622 344 L HA 0.133 4.466 4.340 -0.011 0.000 0.233 344 L C 2.785 179.695 176.870 0.066 0.000 1.156 344 L CA 0.509 55.377 54.840 0.046 0.000 0.866 344 L CB -0.626 41.462 42.059 0.050 0.000 0.980 344 L HN 0.468 nan 8.230 nan 0.000 0.448 345 A N 0.345 123.178 122.820 0.022 0.000 1.969 345 A HA -0.146 4.168 4.320 -0.011 0.000 0.218 345 A C 2.162 179.742 177.584 -0.007 0.000 1.169 345 A CA 1.257 53.290 52.037 -0.007 0.000 0.635 345 A CB -0.333 18.653 19.000 -0.023 0.000 0.810 345 A HN 0.339 nan 8.150 nan 0.000 0.445 346 I N 0.353 120.923 120.570 0.001 0.000 2.133 346 I HA -0.129 4.034 4.170 -0.011 0.000 0.238 346 I C -0.402 175.733 176.117 0.030 0.000 1.074 346 I CA 1.532 62.832 61.300 -0.000 0.000 1.342 346 I CB -0.746 37.262 38.000 0.014 0.000 1.053 346 I HN 0.229 nan 8.210 nan 0.000 0.404 347 P HA -0.168 nan 4.420 nan 0.000 0.223 347 P C 1.244 178.542 177.300 -0.003 0.000 1.151 347 P CA 1.456 64.583 63.100 0.044 0.000 0.787 347 P CB 0.037 31.783 31.700 0.076 0.000 0.788 348 E N 0.111 120.375 120.200 0.105 0.000 2.107 348 E HA -0.126 4.217 4.350 -0.011 0.000 0.191 348 E C 1.894 178.466 176.600 -0.046 0.000 0.982 348 E CA 0.524 56.998 56.400 0.123 0.000 0.809 348 E CB -1.137 28.698 29.700 0.225 0.000 0.756 348 E HN -0.027 nan 8.360 nan 0.000 0.459 349 L N 0.061 121.234 121.223 -0.084 0.000 2.083 349 L HA -0.073 4.260 4.340 -0.011 0.000 0.209 349 L C 2.008 178.735 176.870 -0.237 0.000 1.083 349 L CA 1.695 56.431 54.840 -0.172 0.000 0.752 349 L CB -0.560 41.402 42.059 -0.161 0.000 0.899 349 L HN 0.244 nan 8.230 nan 0.000 0.433 350 M N -0.832 118.642 119.600 -0.210 0.000 2.086 350 M HA -0.200 4.273 4.480 -0.011 0.000 0.261 350 M C 2.420 178.548 176.300 -0.288 0.000 1.067 350 M CA 1.510 56.632 55.300 -0.297 0.000 1.116 350 M CB -1.198 31.216 32.600 -0.310 0.000 1.348 350 M HN 0.305 nan 8.290 nan 0.000 0.407 351 R N -0.015 120.337 120.500 -0.246 0.000 2.096 351 R HA -0.156 4.177 4.340 -0.011 0.000 0.240 351 R C 2.094 178.282 176.300 -0.188 0.000 1.139 351 R CA 1.822 57.780 56.100 -0.237 0.000 0.952 351 R CB -0.258 29.849 30.300 -0.320 0.000 0.854 351 R HN 0.204 nan 8.270 nan 0.000 0.436 352 V N 1.345 121.147 119.914 -0.186 0.000 2.261 352 V HA -0.263 3.851 4.120 -0.011 0.000 0.246 352 V C 2.449 178.384 176.094 -0.266 0.000 1.047 352 V CA 1.814 64.001 62.300 -0.188 0.000 1.015 352 V CB -0.421 31.287 31.823 -0.192 0.000 0.642 352 V HN 0.354 nan 8.190 nan 0.000 0.446 353 L N -0.600 120.402 121.223 -0.368 0.000 2.012 353 L HA -0.175 4.158 4.340 -0.011 0.000 0.210 353 L C 2.409 179.093 176.870 -0.309 0.000 1.073 353 L CA 1.379 55.942 54.840 -0.462 0.000 0.748 353 L CB -0.616 41.134 42.059 -0.514 0.000 0.891 353 L HN 0.219 nan 8.230 nan 0.000 0.431 354 V N -0.674 119.094 119.914 -0.244 0.000 2.331 354 V HA -0.190 3.923 4.120 -0.011 0.000 0.242 354 V C 2.039 178.081 176.094 -0.086 0.000 1.034 354 V CA 1.648 63.862 62.300 -0.143 0.000 1.027 354 V CB -0.333 31.422 31.823 -0.115 0.000 0.667 354 V HN 0.351 nan 8.190 nan 0.000 0.457 355 D N 0.135 120.480 120.400 -0.092 0.000 2.097 355 D HA -0.058 4.576 4.640 -0.011 0.000 0.197 355 D C 2.108 178.375 176.300 -0.054 0.000 0.984 355 D CA 1.334 55.299 54.000 -0.058 0.000 0.826 355 D CB -0.100 40.662 40.800 -0.064 0.000 0.973 355 D HN 0.299 nan 8.370 nan 0.000 0.460 356 L N 0.408 121.584 121.223 -0.078 0.000 2.145 356 L HA 0.050 4.383 4.340 -0.011 0.000 0.201 356 L C 1.993 178.827 176.870 -0.061 0.000 1.075 356 L CA 0.696 55.500 54.840 -0.060 0.000 0.773 356 L CB -0.251 41.772 42.059 -0.059 0.000 0.936 356 L HN -0.125 nan 8.230 nan 0.000 0.451 357 E N 0.670 120.798 120.200 -0.119 0.000 2.435 357 E HA -0.008 4.336 4.350 -0.011 0.000 0.195 357 E C 0.131 176.688 176.600 -0.071 0.000 1.029 357 E CA -0.006 56.328 56.400 -0.109 0.000 0.865 357 E CB 0.178 29.700 29.700 -0.295 0.000 0.833 357 E HN 0.280 nan 8.360 nan 0.000 0.510 358 R N -0.040 120.416 120.500 -0.074 0.000 3.423 358 R HA -0.193 4.141 4.340 -0.011 0.000 0.271 358 R C -0.455 175.826 176.300 -0.032 0.000 1.093 358 R CA 0.246 56.325 56.100 -0.035 0.000 0.730 358 R CB -2.554 27.745 30.300 -0.003 0.000 1.190 358 R HN 0.053 nan 8.270 nan 0.000 0.437 359 L N 1.989 123.164 121.223 -0.079 0.000 2.399 359 L HA 0.177 4.510 4.340 -0.011 0.000 0.266 359 L C 1.208 178.065 176.870 -0.022 0.000 1.114 359 L CA 0.067 54.870 54.840 -0.062 0.000 0.804 359 L CB 0.590 42.564 42.059 -0.142 0.000 1.146 359 L HN 0.127 nan 8.230 nan 0.000 0.451 360 D N 1.069 121.482 120.400 0.021 0.000 2.362 360 D HA -0.141 4.492 4.640 -0.011 0.000 0.242 360 D C 1.002 177.360 176.300 0.098 0.000 1.132 360 D CA -0.470 53.576 54.000 0.078 0.000 0.907 360 D CB 0.686 41.539 40.800 0.089 0.000 1.195 360 D HN 0.604 nan 8.370 nan 0.000 0.429 361 W N 2.212 123.515 121.300 0.005 0.000 2.298 361 W HA -0.263 4.390 4.660 -0.011 0.000 0.328 361 W C 1.223 177.787 176.519 0.076 0.000 1.259 361 W CA 2.098 59.454 57.345 0.017 0.000 1.251 361 W CB -0.341 29.110 29.460 -0.016 0.000 1.161 361 W HN 0.499 nan 8.180 nan 0.000 0.466 362 D N 0.040 120.640 120.400 0.333 0.000 2.158 362 D HA -0.213 4.420 4.640 -0.011 0.000 0.197 362 D C 2.041 178.438 176.300 0.162 0.000 0.995 362 D CA 1.444 55.610 54.000 0.277 0.000 0.846 362 D CB -0.429 40.509 40.800 0.230 0.000 0.941 362 D HN 0.124 nan 8.370 nan 0.000 0.456 363 K N 0.874 121.328 120.400 0.089 0.000 2.103 363 K HA 0.005 4.318 4.320 -0.011 0.000 0.204 363 K C 1.977 178.566 176.600 -0.019 0.000 1.052 363 K CA 0.744 57.057 56.287 0.043 0.000 0.945 363 K CB -0.147 32.374 32.500 0.035 0.000 0.722 363 K HN 0.023 nan 8.250 nan 0.000 0.443 364 A N 0.672 123.438 122.820 -0.089 0.000 1.898 364 A HA -0.176 4.138 4.320 -0.011 0.000 0.216 364 A C 2.097 179.583 177.584 -0.162 0.000 1.181 364 A CA 1.128 53.043 52.037 -0.203 0.000 0.620 364 A CB -0.977 17.826 19.000 -0.328 0.000 0.819 364 A HN 0.621 nan 8.150 nan 0.000 0.442 365 W N 0.704 121.793 121.300 -0.351 0.000 2.381 365 W HA -0.151 4.503 4.660 -0.011 0.000 0.301 365 W C 1.973 178.434 176.519 -0.097 0.000 1.205 365 W CA 1.752 58.947 57.345 -0.252 0.000 1.285 365 W CB -0.077 29.285 29.460 -0.163 0.000 1.133 365 W HN 0.591 nan 8.180 nan 0.000 0.521 366 E N 0.147 120.336 120.200 -0.018 0.000 2.058 366 E HA -0.232 4.112 4.350 -0.011 0.000 0.194 366 E C 2.031 178.548 176.600 -0.138 0.000 0.997 366 E CA 2.063 58.417 56.400 -0.077 0.000 0.801 366 E CB -0.326 29.387 29.700 0.021 0.000 0.746 366 E HN 0.069 nan 8.360 nan 0.000 0.450 367 V N 0.774 120.627 119.914 -0.103 0.000 2.295 367 V HA -0.268 3.846 4.120 -0.011 0.000 0.246 367 V C 2.443 178.469 176.094 -0.114 0.000 1.049 367 V CA 2.214 64.471 62.300 -0.071 0.000 1.024 367 V CB -0.883 30.897 31.823 -0.071 0.000 0.648 367 V HN 0.362 nan 8.190 nan 0.000 0.447 368 T N 0.136 114.552 114.554 -0.230 0.000 2.652 368 T HA -0.183 4.161 4.350 -0.011 0.000 0.267 368 T C 1.959 176.470 174.700 -0.316 0.000 1.039 368 T CA 1.805 63.742 62.100 -0.271 0.000 1.153 368 T CB -0.321 68.334 68.868 -0.355 0.000 0.863 368 T HN 0.278 nan 8.240 nan 0.000 0.428 369 V N 1.233 120.831 119.914 -0.527 0.000 2.407 369 V HA -0.164 3.950 4.120 -0.011 0.000 0.248 369 V C 2.378 178.403 176.094 -0.114 0.000 1.055 369 V CA 1.612 63.663 62.300 -0.416 0.000 1.049 369 V CB -0.481 31.020 31.823 -0.537 0.000 0.662 369 V HN 0.429 nan 8.190 nan 0.000 0.455 370 K N -0.332 119.986 120.400 -0.137 0.000 2.365 370 K HA -0.102 4.211 4.320 -0.011 0.000 0.199 370 K C 2.136 178.673 176.600 -0.105 0.000 1.045 370 K CA 1.498 57.689 56.287 -0.161 0.000 0.962 370 K CB -0.118 32.296 32.500 -0.144 0.000 0.759 370 K HN 0.633 nan 8.250 nan 0.000 0.469 371 T N -1.967 112.599 114.554 0.019 0.000 3.014 371 T HA 0.101 4.445 4.350 -0.011 0.000 0.250 371 T C 0.530 175.329 174.700 0.164 0.000 1.060 371 T CA -0.328 61.821 62.100 0.082 0.000 1.040 371 T CB 0.017 68.954 68.868 0.115 0.000 0.971 371 T HN 0.006 nan 8.240 nan 0.000 0.497 372 C N 2.585 121.975 119.300 0.151 0.000 2.365 372 C HA 0.922 5.375 4.460 -0.011 0.000 0.351 372 C C 0.485 175.556 174.990 0.136 0.000 1.240 372 C CA -0.792 58.300 59.018 0.124 0.000 2.062 372 C CB 0.272 28.020 27.740 0.013 0.000 2.387 372 C HN 0.732 nan 8.230 nan 0.000 0.537 373 A N 2.488 125.379 122.820 0.117 0.000 2.455 373 A HA 0.713 5.026 4.320 -0.011 0.000 0.300 373 A C -1.479 176.190 177.584 0.141 0.000 1.040 373 A CA -0.398 51.659 52.037 0.034 0.000 0.697 373 A CB 0.904 19.952 19.000 0.081 0.000 1.265 373 A HN 0.931 nan 8.150 nan 0.000 0.407 374 Y N 1.394 121.652 120.300 -0.071 0.000 2.393 374 Y HA 0.662 5.205 4.550 -0.011 0.000 0.341 374 Y C -0.406 175.486 175.900 -0.013 0.000 0.988 374 Y CA -0.346 57.725 58.100 -0.048 0.000 1.078 374 Y CB 1.996 40.385 38.460 -0.119 0.000 1.203 374 Y HN 0.552 nan 8.280 nan 0.000 0.453 375 T N 6.466 120.839 114.554 -0.301 0.000 2.770 375 T HA 0.176 4.519 4.350 -0.011 0.000 0.283 375 T C -0.806 173.496 174.700 -0.664 0.000 0.988 375 T CA -0.817 61.040 62.100 -0.404 0.000 0.957 375 T CB 0.397 69.257 68.868 -0.014 0.000 0.930 375 T HN 0.632 nan 8.240 nan 0.000 0.443 376 N N 1.718 120.013 118.700 -0.676 0.000 2.479 376 N HA 0.133 4.866 4.740 -0.011 0.000 0.285 376 N C 0.123 175.529 175.510 -0.173 0.000 1.075 376 N CA -0.250 52.630 53.050 -0.282 0.000 0.967 376 N CB 0.754 39.230 38.487 -0.017 0.000 1.137 376 N HN 0.669 nan 8.380 nan 0.000 0.472 377 H N 0.811 119.908 119.070 0.044 0.000 2.986 377 H HA 0.159 4.708 4.556 -0.011 0.000 0.267 377 H C -0.145 175.089 175.328 -0.156 0.000 1.072 377 H CA 0.080 56.094 56.048 -0.056 0.000 1.202 377 H CB 1.253 31.002 29.762 -0.022 0.000 1.535 377 H HN 0.525 nan 8.280 nan 0.000 0.522 378 T N 0.027 114.602 114.554 0.035 0.000 2.786 378 T HA 0.258 4.601 4.350 -0.011 0.000 0.316 378 T C 0.282 175.007 174.700 0.040 0.000 1.503 378 T CA -0.282 61.791 62.100 -0.044 0.000 1.019 378 T CB 1.274 70.110 68.868 -0.053 0.000 1.415 378 T HN -0.064 nan 8.240 nan 0.000 0.496 379 V N 1.131 121.028 119.914 -0.029 0.000 3.477 379 V HA 0.499 4.613 4.120 -0.011 0.000 0.297 379 V C 0.928 176.982 176.094 -0.067 0.000 1.433 379 V CA -0.111 62.165 62.300 -0.041 0.000 1.052 379 V CB -0.675 31.126 31.823 -0.036 0.000 0.895 379 V HN 0.792 nan 8.190 nan 0.000 0.438 380 I N -0.057 120.460 120.570 -0.089 0.000 2.556 380 I HA 0.297 4.461 4.170 -0.011 0.000 0.284 380 I C -0.735 175.366 176.117 -0.025 0.000 1.114 380 I CA -1.628 59.640 61.300 -0.053 0.000 1.418 380 I CB 0.553 38.511 38.000 -0.069 0.000 1.394 380 I HN -0.038 nan 8.210 nan 0.000 0.552 381 P HA -0.235 nan 4.420 nan 0.000 0.215 381 P C 1.118 178.396 177.300 -0.037 0.000 1.153 381 P CA 1.556 64.643 63.100 -0.022 0.000 0.853 381 P CB -0.102 31.593 31.700 -0.008 0.000 0.788 382 E N 0.347 120.544 120.200 -0.005 0.000 2.472 382 E HA -0.069 4.275 4.350 -0.011 0.000 0.200 382 E C 1.576 178.085 176.600 -0.151 0.000 1.046 382 E CA 1.124 57.485 56.400 -0.065 0.000 0.871 382 E CB -0.688 29.069 29.700 0.095 0.000 0.806 382 E HN 0.217 nan 8.360 nan 0.000 0.533 383 A N 1.035 123.826 122.820 -0.047 0.000 2.220 383 A HA 0.197 4.510 4.320 -0.011 0.000 0.211 383 A C 1.186 178.733 177.584 -0.062 0.000 1.176 383 A CA -0.326 51.705 52.037 -0.010 0.000 0.834 383 A CB 0.120 19.145 19.000 0.042 0.000 0.868 383 A HN 0.146 nan 8.150 nan 0.000 0.488 384 L N 1.828 122.975 121.223 -0.126 0.000 2.455 384 L HA 0.099 4.433 4.340 -0.011 0.000 0.272 384 L C -0.020 176.508 176.870 -0.570 0.000 1.174 384 L CA 0.582 55.289 54.840 -0.221 0.000 0.869 384 L CB 0.231 42.194 42.059 -0.160 0.000 1.130 384 L HN 0.409 nan 8.230 nan 0.000 0.474 385 E N 4.989 124.767 120.200 -0.704 0.000 2.105 385 E HA 0.209 4.553 4.350 -0.011 0.000 0.285 385 E C -0.468 175.517 176.600 -1.025 0.000 1.055 385 E CA -0.230 55.323 56.400 -1.411 0.000 0.843 385 E CB 0.714 29.943 29.700 -0.784 0.000 1.067 385 E HN 0.368 nan 8.360 nan 0.000 0.398 386 R N 3.788 123.565 120.500 -1.205 0.000 2.407 386 R HA 0.202 4.536 4.340 -0.011 0.000 0.298 386 R C -1.232 174.898 176.300 -0.284 0.000 1.166 386 R CA -0.565 55.250 56.100 -0.475 0.000 1.006 386 R CB 0.914 31.062 30.300 -0.253 0.000 1.145 386 R HN 0.428 nan 8.270 nan 0.000 0.538 387 W N 4.755 126.019 121.300 -0.059 0.000 2.322 387 W HA 0.277 4.930 4.660 -0.011 0.000 0.307 387 W C -1.900 174.612 176.519 -0.011 0.000 1.220 387 W CA -2.174 55.200 57.345 0.048 0.000 1.210 387 W CB 0.851 30.313 29.460 0.003 0.000 1.223 387 W HN 0.260 nan 8.180 nan 0.000 0.511 388 P HA -0.105 nan 4.420 nan 0.000 0.262 388 P C 0.829 178.113 177.300 -0.027 0.000 1.182 388 P CA 0.263 63.397 63.100 0.057 0.000 0.761 388 P CB 0.790 32.416 31.700 -0.123 0.000 0.795 389 V N 3.495 123.448 119.914 0.064 0.000 2.332 389 V HA -0.291 3.822 4.120 -0.011 0.000 0.248 389 V C 2.161 178.279 176.094 0.040 0.000 1.055 389 V CA 2.564 64.901 62.300 0.062 0.000 1.038 389 V CB -1.716 30.199 31.823 0.154 0.000 0.651 389 V HN 0.776 nan 8.190 nan 0.000 0.450 390 H N -1.115 118.011 119.070 0.093 0.000 2.457 390 H HA -0.154 4.396 4.556 -0.011 0.000 0.297 390 H C 2.069 177.441 175.328 0.073 0.000 1.092 390 H CA 1.859 57.956 56.048 0.081 0.000 1.309 390 H CB -0.513 29.298 29.762 0.082 0.000 1.382 390 H HN 0.379 nan 8.280 nan 0.000 0.535 391 L N -0.069 120.944 121.223 -0.350 0.000 2.044 391 L HA -0.067 4.267 4.340 -0.011 0.000 0.205 391 L C 2.382 179.174 176.870 -0.130 0.000 1.075 391 L CA 0.888 55.613 54.840 -0.191 0.000 0.747 391 L CB -0.180 41.760 42.059 -0.198 0.000 0.903 391 L HN 0.331 nan 8.230 nan 0.000 0.435 392 L N -0.546 120.588 121.223 -0.148 0.000 2.141 392 L HA -0.228 4.106 4.340 -0.011 0.000 0.209 392 L C 2.493 179.284 176.870 -0.131 0.000 1.094 392 L CA 1.084 55.814 54.840 -0.183 0.000 0.763 392 L CB -0.359 41.590 42.059 -0.184 0.000 0.908 392 L HN 0.341 nan 8.230 nan 0.000 0.437 393 E N -0.522 119.645 120.200 -0.056 0.000 2.110 393 E HA -0.200 4.143 4.350 -0.011 0.000 0.193 393 E C 1.831 178.453 176.600 0.036 0.000 0.988 393 E CA 1.710 58.110 56.400 -0.000 0.000 0.804 393 E CB 0.185 29.926 29.700 0.068 0.000 0.745 393 E HN 0.400 nan 8.360 nan 0.000 0.458 394 T N 0.615 115.207 114.554 0.063 0.000 2.939 394 T HA -0.041 4.302 4.350 -0.011 0.000 0.254 394 T C 1.654 176.444 174.700 0.150 0.000 1.041 394 T CA 0.523 62.710 62.100 0.145 0.000 1.142 394 T CB -0.046 68.938 68.868 0.193 0.000 0.874 394 T HN 0.065 nan 8.240 nan 0.000 0.452 395 L N 0.163 121.369 121.223 -0.027 0.000 2.127 395 L HA 0.367 4.700 4.340 -0.011 0.000 0.203 395 L C 0.304 177.082 176.870 -0.154 0.000 1.080 395 L CA 1.552 56.247 54.840 -0.242 0.000 0.768 395 L CB 0.064 41.947 42.059 -0.293 0.000 0.924 395 L HN 0.160 nan 8.230 nan 0.000 0.444 396 L N 0.625 121.722 121.223 -0.210 0.000 2.594 396 L HA 0.299 4.632 4.340 -0.011 0.000 0.245 396 L C -1.660 175.013 176.870 -0.327 0.000 1.460 396 L CA -1.054 53.573 54.840 -0.355 0.000 0.865 396 L CB 0.808 42.481 42.059 -0.643 0.000 1.131 396 L HN -0.070 nan 8.230 nan 0.000 0.506 397 P HA -0.242 nan 4.420 nan 0.000 0.216 397 P C 1.509 178.611 177.300 -0.330 0.000 1.154 397 P CA 1.387 64.360 63.100 -0.211 0.000 0.865 397 P CB 0.347 31.997 31.700 -0.083 0.000 0.789 398 R N -0.585 119.539 120.500 -0.627 0.000 2.092 398 R HA -0.148 4.186 4.340 -0.011 0.000 0.231 398 R C 2.373 178.370 176.300 -0.506 0.000 1.119 398 R CA 1.527 57.269 56.100 -0.596 0.000 0.970 398 R CB -1.290 28.490 30.300 -0.866 0.000 0.864 398 R HN 0.226 nan 8.270 nan 0.000 0.440 399 H N -0.162 118.586 119.070 -0.536 0.000 2.387 399 H HA -0.074 4.476 4.556 -0.011 0.000 0.299 399 H C 1.788 176.939 175.328 -0.296 0.000 1.090 399 H CA 1.681 57.503 56.048 -0.376 0.000 1.332 399 H CB -0.129 29.380 29.762 -0.422 0.000 1.386 399 H HN 0.103 nan 8.280 nan 0.000 0.516 400 L N 0.468 121.559 121.223 -0.220 0.000 2.083 400 L HA -0.246 4.087 4.340 -0.011 0.000 0.209 400 L C 1.847 178.498 176.870 -0.365 0.000 1.083 400 L CA 1.597 56.234 54.840 -0.339 0.000 0.752 400 L CB -0.295 41.581 42.059 -0.306 0.000 0.899 400 L HN 0.436 nan 8.230 nan 0.000 0.433 401 Q N -0.386 119.311 119.800 -0.172 0.000 2.084 401 Q HA -0.212 4.122 4.340 -0.011 0.000 0.202 401 Q C 2.184 178.187 176.000 0.005 0.000 0.978 401 Q CA 1.551 57.343 55.803 -0.019 0.000 0.844 401 Q CB -0.008 28.730 28.738 0.001 0.000 0.898 401 Q HN 0.547 nan 8.270 nan 0.000 0.426 402 I N 0.203 120.757 120.570 -0.027 0.000 2.315 402 I HA -0.250 3.914 4.170 -0.011 0.000 0.248 402 I C 1.997 178.177 176.117 0.106 0.000 1.117 402 I CA 0.924 62.291 61.300 0.112 0.000 1.404 402 I CB -0.047 37.974 38.000 0.035 0.000 1.071 402 I HN 0.195 nan 8.210 nan 0.000 0.419 403 I N -0.601 119.953 120.570 -0.027 0.000 2.394 403 I HA -0.290 3.873 4.170 -0.011 0.000 0.251 403 I C 2.220 178.357 176.117 0.033 0.000 1.136 403 I CA 1.201 62.481 61.300 -0.034 0.000 1.425 403 I CB -0.267 37.648 38.000 -0.143 0.000 1.079 403 I HN 0.183 nan 8.210 nan 0.000 0.425 404 Y N 0.744 121.046 120.300 0.002 0.000 2.263 404 Y HA -0.207 4.337 4.550 -0.011 0.000 0.292 404 Y C 2.576 178.436 175.900 -0.067 0.000 1.130 404 Y CA 1.245 59.333 58.100 -0.020 0.000 1.179 404 Y CB -0.646 37.796 38.460 -0.031 0.000 0.998 404 Y HN 0.187 nan 8.280 nan 0.000 0.532 405 E N 0.418 120.650 120.200 0.053 0.000 2.107 405 E HA -0.122 4.222 4.350 -0.011 0.000 0.191 405 E C 2.005 178.497 176.600 -0.181 0.000 0.982 405 E CA 1.167 57.450 56.400 -0.194 0.000 0.809 405 E CB -0.532 28.898 29.700 -0.450 0.000 0.756 405 E HN 0.463 nan 8.360 nan 0.000 0.459 406 I N 0.614 121.182 120.570 -0.005 0.000 2.202 406 I HA -0.249 3.914 4.170 -0.011 0.000 0.242 406 I C 2.273 178.389 176.117 -0.002 0.000 1.091 406 I CA 1.324 62.583 61.300 -0.068 0.000 1.368 406 I CB -0.365 37.607 38.000 -0.046 0.000 1.058 406 I HN 0.205 nan 8.210 nan 0.000 0.410 407 N N 0.692 119.447 118.700 0.092 0.000 2.104 407 N HA -0.274 4.460 4.740 -0.011 0.000 0.190 407 N C 1.866 177.459 175.510 0.139 0.000 1.024 407 N CA 1.639 54.800 53.050 0.186 0.000 0.853 407 N CB -0.118 38.498 38.487 0.214 0.000 1.008 407 N HN 0.283 nan 8.380 nan 0.000 0.424 408 Q N -0.238 119.585 119.800 0.038 0.000 2.030 408 Q HA -0.109 4.224 4.340 -0.011 0.000 0.204 408 Q C 1.989 177.961 176.000 -0.047 0.000 0.986 408 Q CA 1.575 57.359 55.803 -0.031 0.000 0.843 408 Q CB 0.022 28.699 28.738 -0.101 0.000 0.904 408 Q HN 0.429 nan 8.270 nan 0.000 0.420 409 R N -0.834 119.617 120.500 -0.082 0.000 2.115 409 R HA -0.102 4.232 4.340 -0.011 0.000 0.226 409 R C 2.119 178.438 176.300 0.032 0.000 1.100 409 R CA 0.966 57.020 56.100 -0.077 0.000 0.980 409 R CB -0.313 29.887 30.300 -0.166 0.000 0.875 409 R HN 0.258 nan 8.270 nan 0.000 0.445 410 F N 1.790 121.710 119.950 -0.050 0.000 2.113 410 F HA -0.052 4.469 4.527 -0.011 0.000 0.297 410 F C 1.877 177.698 175.800 0.034 0.000 1.103 410 F CA 1.188 59.206 58.000 0.030 0.000 1.248 410 F CB -0.275 38.773 39.000 0.081 0.000 0.999 410 F HN -0.148 nan 8.300 nan 0.000 0.475 411 L N 0.107 121.263 121.223 -0.112 0.000 2.191 411 L HA -0.239 4.095 4.340 -0.011 0.000 0.212 411 L C 1.990 178.759 176.870 -0.170 0.000 1.103 411 L CA 1.530 56.249 54.840 -0.201 0.000 0.769 411 L CB -0.865 41.165 42.059 -0.048 0.000 0.908 411 L HN 0.272 nan 8.230 nan 0.000 0.438 412 N N -0.328 118.305 118.700 -0.112 0.000 2.244 412 N HA -0.157 4.577 4.740 -0.011 0.000 0.183 412 N C 1.929 177.379 175.510 -0.100 0.000 1.016 412 N CA 0.566 53.562 53.050 -0.089 0.000 0.866 412 N CB 0.060 38.506 38.487 -0.069 0.000 0.980 412 N HN 0.237 nan 8.380 nan 0.000 0.430 413 R N 0.478 120.901 120.500 -0.128 0.000 2.092 413 R HA -0.028 4.305 4.340 -0.011 0.000 0.231 413 R C 2.085 178.292 176.300 -0.155 0.000 1.119 413 R CA 0.734 56.767 56.100 -0.112 0.000 0.970 413 R CB -0.071 30.187 30.300 -0.069 0.000 0.864 413 R HN 0.042 nan 8.270 nan 0.000 0.440 414 V N 0.543 120.307 119.914 -0.250 0.000 2.307 414 V HA -0.221 3.892 4.120 -0.011 0.000 0.245 414 V C 2.344 178.436 176.094 -0.003 0.000 1.045 414 V CA 1.971 64.193 62.300 -0.131 0.000 1.024 414 V CB -0.733 30.931 31.823 -0.265 0.000 0.651 414 V HN 0.434 nan 8.190 nan 0.000 0.449 415 A N 0.067 122.853 122.820 -0.057 0.000 1.940 415 A HA -0.141 4.173 4.320 -0.011 0.000 0.219 415 A C 2.375 179.935 177.584 -0.040 0.000 1.176 415 A CA 2.172 54.193 52.037 -0.026 0.000 0.631 415 A CB -0.728 18.244 19.000 -0.045 0.000 0.814 415 A HN 0.593 nan 8.150 nan 0.000 0.446 416 A N -0.613 122.163 122.820 -0.073 0.000 1.968 416 A HA 0.282 4.595 4.320 -0.011 0.000 0.217 416 A C 2.377 179.871 177.584 -0.149 0.000 1.169 416 A CA 1.764 53.747 52.037 -0.089 0.000 0.638 416 A CB -0.659 18.294 19.000 -0.079 0.000 0.812 416 A HN 0.954 nan 8.150 nan 0.000 0.446 417 A N -1.365 121.319 122.820 -0.226 0.000 1.935 417 A HA 0.374 4.688 4.320 -0.011 0.000 0.214 417 A C 0.459 177.600 177.584 -0.739 0.000 1.178 417 A CA 0.498 52.225 52.037 -0.518 0.000 0.640 417 A CB -0.148 18.446 19.000 -0.676 0.000 0.825 417 A HN 0.422 nan 8.150 nan 0.000 0.447 418 F N 0.242 120.145 119.950 -0.079 0.000 2.550 418 F HA 0.360 4.880 4.527 -0.011 0.000 0.348 418 F C -2.752 173.009 175.800 -0.065 0.000 1.219 418 F CA -2.860 55.098 58.000 -0.071 0.000 1.203 418 F CB 0.733 39.683 39.000 -0.083 0.000 1.436 418 F HN -0.065 nan 8.300 nan 0.000 0.541 419 P HA 0.149 nan 4.420 nan 0.000 0.263 419 P C 1.014 178.332 177.300 0.029 0.000 1.195 419 P CA 1.073 64.183 63.100 0.016 0.000 0.762 419 P CB 0.751 32.443 31.700 -0.013 0.000 0.799 420 G N 2.836 111.646 108.800 0.017 0.000 2.205 420 G HA2 -0.248 3.706 3.960 -0.011 0.000 0.261 420 G HA3 -0.248 3.706 3.960 -0.011 0.000 0.261 420 G C 0.356 175.263 174.900 0.011 0.000 0.980 420 G CA -0.020 45.086 45.100 0.010 0.000 0.632 420 G HN 0.585 nan 8.290 nan 0.000 0.533 421 D N 0.996 121.412 120.400 0.026 0.000 2.551 421 D HA 0.382 5.016 4.640 -0.011 0.000 0.223 421 D C 1.581 177.866 176.300 -0.025 0.000 1.144 421 D CA 0.436 54.434 54.000 -0.003 0.000 1.025 421 D CB 0.606 41.400 40.800 -0.010 0.000 1.085 421 D HN 0.157 nan 8.370 nan 0.000 0.506 422 V N 2.869 122.771 119.914 -0.021 0.000 2.626 422 V HA -0.196 3.918 4.120 -0.011 0.000 0.252 422 V C 1.637 177.713 176.094 -0.030 0.000 1.067 422 V CA 1.858 64.144 62.300 -0.024 0.000 1.081 422 V CB 0.013 31.826 31.823 -0.016 0.000 0.686 422 V HN 0.367 nan 8.190 nan 0.000 0.468 423 D N -0.394 119.984 120.400 -0.037 0.000 2.183 423 D HA -0.168 4.465 4.640 -0.011 0.000 0.203 423 D C 2.319 178.585 176.300 -0.057 0.000 0.969 423 D CA 1.147 55.125 54.000 -0.036 0.000 0.842 423 D CB -0.186 40.594 40.800 -0.035 0.000 0.957 423 D HN 0.424 nan 8.370 nan 0.000 0.484 424 R N -0.297 120.144 120.500 -0.098 0.000 2.096 424 R HA -0.120 4.213 4.340 -0.011 0.000 0.235 424 R C 1.830 178.049 176.300 -0.134 0.000 1.127 424 R CA 0.777 56.780 56.100 -0.162 0.000 0.968 424 R CB -0.261 29.877 30.300 -0.270 0.000 0.861 424 R HN 0.150 nan 8.270 nan 0.000 0.440 425 L N 1.559 122.727 121.223 -0.091 0.000 1.989 425 L HA -0.199 4.135 4.340 -0.011 0.000 0.211 425 L C 2.562 179.421 176.870 -0.018 0.000 1.071 425 L CA 2.202 57.003 54.840 -0.066 0.000 0.749 425 L CB -0.835 41.197 42.059 -0.044 0.000 0.890 425 L HN 0.318 nan 8.230 nan 0.000 0.431 426 R N -1.283 119.217 120.500 0.001 0.000 2.148 426 R HA -0.059 4.275 4.340 -0.011 0.000 0.223 426 R C 2.165 178.512 176.300 0.078 0.000 1.088 426 R CA 0.973 57.098 56.100 0.042 0.000 0.985 426 R CB -0.570 29.749 30.300 0.033 0.000 0.880 426 R HN 0.178 nan 8.270 nan 0.000 0.451 427 R N 0.151 120.678 120.500 0.045 0.000 2.115 427 R HA 0.119 4.452 4.340 -0.011 0.000 0.226 427 R C 1.930 178.318 176.300 0.147 0.000 1.100 427 R CA 1.640 57.792 56.100 0.088 0.000 0.980 427 R CB -0.113 30.197 30.300 0.016 0.000 0.875 427 R HN 0.324 nan 8.270 nan 0.000 0.445 428 M N 0.004 119.615 119.600 0.018 0.000 2.509 428 M HA 0.031 4.505 4.480 -0.011 0.000 0.250 428 M C 0.827 177.297 176.300 0.284 0.000 1.132 428 M CA 0.011 55.282 55.300 -0.049 0.000 1.080 428 M CB 0.492 32.890 32.600 -0.337 0.000 1.408 428 M HN -0.088 nan 8.290 nan 0.000 0.484 429 S N 1.032 116.902 115.700 0.283 0.000 2.558 429 S HA 0.043 4.507 4.470 -0.011 0.000 0.288 429 S C 1.088 175.967 174.600 0.465 0.000 1.318 429 S CA -0.227 58.171 58.200 0.329 0.000 1.056 429 S CB 0.541 63.867 63.200 0.209 0.000 0.853 429 S HN 0.381 nan 8.310 nan 0.000 0.505 430 L N 3.996 125.449 121.223 0.384 0.000 2.395 430 L HA 0.142 4.476 4.340 -0.011 0.000 0.218 430 L C 0.167 177.157 176.870 0.201 0.000 1.130 430 L CA 0.170 55.192 54.840 0.304 0.000 0.826 430 L CB -0.435 41.747 42.059 0.204 0.000 0.941 430 L HN 0.389 nan 8.230 nan 0.000 0.451 431 V N 0.789 120.834 119.914 0.218 0.000 2.350 431 V HA 0.192 4.305 4.120 -0.011 0.000 0.276 431 V C 0.065 176.251 176.094 0.152 0.000 1.028 431 V CA -0.578 61.836 62.300 0.190 0.000 0.860 431 V CB 1.470 33.440 31.823 0.245 0.000 0.990 431 V HN 0.167 nan 8.190 nan 0.000 0.453 432 E N 3.204 123.474 120.200 0.115 0.000 2.146 432 E HA 0.375 4.718 4.350 -0.011 0.000 0.282 432 E C -0.583 176.068 176.600 0.086 0.000 0.989 432 E CA -0.498 55.957 56.400 0.092 0.000 0.799 432 E CB 1.713 31.447 29.700 0.057 0.000 1.088 432 E HN 0.609 nan 8.360 nan 0.000 0.397 433 E N 1.056 121.301 120.200 0.076 0.000 2.345 433 E HA 0.613 4.956 4.350 -0.011 0.000 0.259 433 E C 0.200 176.834 176.600 0.057 0.000 1.117 433 E CA 0.388 56.827 56.400 0.065 0.000 0.913 433 E CB 1.413 31.144 29.700 0.051 0.000 1.057 433 E HN 0.641 nan 8.360 nan 0.000 0.432 434 G N -0.152 108.679 108.800 0.052 0.000 2.291 434 G HA2 0.245 4.199 3.960 -0.011 0.000 0.249 434 G HA3 0.245 4.199 3.960 -0.011 0.000 0.249 434 G C 0.490 175.418 174.900 0.048 0.000 1.340 434 G CA 0.312 45.439 45.100 0.046 0.000 1.017 434 G HN 0.632 nan 8.290 nan 0.000 0.470 435 A N -0.840 122.007 122.820 0.045 0.000 1.873 435 A HA 0.253 4.567 4.320 -0.011 0.000 0.219 435 A C 1.810 179.429 177.584 0.057 0.000 1.269 435 A CA 4.421 56.484 52.037 0.044 0.000 0.671 435 A CB -1.233 17.793 19.000 0.044 0.000 0.842 435 A HN 2.409 nan 8.150 nan 0.000 0.460 436 V N -2.453 117.508 119.914 0.078 0.000 2.680 436 V HA 0.568 4.682 4.120 -0.011 0.000 0.309 436 V C -0.530 175.637 176.094 0.121 0.000 1.052 436 V CA -1.349 61.020 62.300 0.113 0.000 0.908 436 V CB 1.676 33.596 31.823 0.163 0.000 1.001 436 V HN 0.424 nan 8.190 nan 0.000 0.431 437 K N 4.184 124.666 120.400 0.136 0.000 2.355 437 K HA 0.511 4.825 4.320 -0.011 0.000 0.270 437 K C -0.422 176.261 176.600 0.139 0.000 1.003 437 K CA -0.269 56.098 56.287 0.132 0.000 0.957 437 K CB 0.906 33.496 32.500 0.150 0.000 0.939 437 K HN 0.747 nan 8.250 nan 0.000 0.482 438 R N 0.820 121.389 120.500 0.115 0.000 2.817 438 R HA 0.490 4.823 4.340 -0.011 0.000 0.268 438 R C -0.809 175.542 176.300 0.085 0.000 1.027 438 R CA -1.002 55.156 56.100 0.098 0.000 0.928 438 R CB 1.267 31.604 30.300 0.061 0.000 1.228 438 R HN 0.368 nan 8.270 nan 0.000 0.469 439 I N 1.763 122.377 120.570 0.074 0.000 2.378 439 I HA 0.191 4.354 4.170 -0.011 0.000 0.291 439 I C -0.365 175.744 176.117 -0.013 0.000 0.992 439 I CA -0.796 60.534 61.300 0.050 0.000 1.154 439 I CB 1.355 39.385 38.000 0.050 0.000 1.315 439 I HN 0.496 nan 8.210 nan 0.000 0.448 440 N N 7.045 125.706 118.700 -0.064 0.000 2.439 440 N HA 0.095 4.829 4.740 -0.011 0.000 0.243 440 N C 0.837 176.251 175.510 -0.159 0.000 1.088 440 N CA -0.338 52.590 53.050 -0.203 0.000 0.940 440 N CB 0.930 39.151 38.487 -0.443 0.000 1.180 440 N HN 0.376 nan 8.380 nan 0.000 0.505 441 M N 2.337 121.848 119.600 -0.150 0.000 2.279 441 M HA -0.074 4.399 4.480 -0.011 0.000 0.264 441 M C 1.909 178.073 176.300 -0.226 0.000 1.062 441 M CA 0.726 55.953 55.300 -0.123 0.000 1.099 441 M CB -1.506 31.063 32.600 -0.052 0.000 1.394 441 M HN 0.601 nan 8.290 nan 0.000 0.426 442 A N -0.760 121.920 122.820 -0.234 0.000 1.930 442 A HA -0.158 4.155 4.320 -0.011 0.000 0.217 442 A C 1.973 179.350 177.584 -0.345 0.000 1.175 442 A CA 1.335 53.201 52.037 -0.284 0.000 0.627 442 A CB -1.054 17.956 19.000 0.017 0.000 0.815 442 A HN 0.597 nan 8.150 nan 0.000 0.443 443 H N -1.148 117.720 119.070 -0.338 0.000 2.428 443 H HA 0.023 4.573 4.556 -0.011 0.000 0.296 443 H C 2.091 177.216 175.328 -0.339 0.000 1.062 443 H CA 0.830 56.643 56.048 -0.392 0.000 1.350 443 H CB 0.010 29.755 29.762 -0.028 0.000 1.403 443 H HN 0.371 nan 8.280 nan 0.000 0.533 444 L N 0.349 121.504 121.223 -0.113 0.000 2.046 444 L HA -0.212 4.121 4.340 -0.011 0.000 0.208 444 L C 2.172 178.922 176.870 -0.199 0.000 1.077 444 L CA 1.247 56.021 54.840 -0.111 0.000 0.747 444 L CB -0.379 41.638 42.059 -0.070 0.000 0.896 444 L HN 0.435 nan 8.230 nan 0.000 0.432 445 C N 0.028 119.108 119.300 -0.367 0.000 2.429 445 C HA -0.155 4.298 4.460 -0.011 0.000 0.277 445 C C 2.673 177.433 174.990 -0.384 0.000 1.262 445 C CA 0.532 59.256 59.018 -0.491 0.000 1.733 445 C CB -0.713 26.352 27.740 -1.124 0.000 2.010 445 C HN 0.510 nan 8.230 nan 0.000 0.483 446 I N 1.366 121.667 120.570 -0.448 0.000 2.226 446 I HA -0.193 3.970 4.170 -0.011 0.000 0.245 446 I C 2.747 178.710 176.117 -0.256 0.000 1.100 446 I CA 1.606 62.675 61.300 -0.385 0.000 1.374 446 I CB -0.532 37.084 38.000 -0.639 0.000 1.057 446 I HN 0.265 nan 8.210 nan 0.000 0.413 447 A N 0.524 123.172 122.820 -0.287 0.000 1.902 447 A HA -0.106 4.208 4.320 -0.011 0.000 0.217 447 A C 2.194 179.813 177.584 0.058 0.000 1.181 447 A CA 1.913 53.818 52.037 -0.219 0.000 0.623 447 A CB -1.145 17.573 19.000 -0.469 0.000 0.818 447 A HN 0.477 nan 8.150 nan 0.000 0.443 448 G N -1.079 107.710 108.800 -0.018 0.000 3.434 448 G HA2 0.426 4.379 3.960 -0.011 0.000 0.258 448 G HA3 0.426 4.379 3.960 -0.011 0.000 0.258 448 G C 0.040 174.784 174.900 -0.260 0.000 1.128 448 G CA 0.453 45.412 45.100 -0.234 0.000 0.792 448 G HN 0.344 nan 8.290 nan 0.000 0.539 449 S N -0.191 115.413 115.700 -0.160 0.000 2.536 449 S HA 0.327 4.790 4.470 -0.011 0.000 0.298 449 S C 0.660 175.214 174.600 -0.076 0.000 1.083 449 S CA -0.720 57.418 58.200 -0.104 0.000 0.995 449 S CB 1.256 64.404 63.200 -0.086 0.000 1.058 449 S HN 0.506 nan 8.310 nan 0.000 0.488 450 H N -0.214 118.820 119.070 -0.060 0.000 2.539 450 H HA 0.545 5.094 4.556 -0.011 0.000 0.269 450 H C 0.024 175.345 175.328 -0.012 0.000 0.980 450 H CA 0.144 56.182 56.048 -0.017 0.000 1.152 450 H CB 0.101 29.863 29.762 -0.001 0.000 1.407 450 H HN 0.532 nan 8.280 nan 0.000 0.564 451 A N 0.772 123.298 122.820 -0.491 0.000 2.547 451 A HA 0.553 4.867 4.320 -0.011 0.000 0.297 451 A C -1.535 175.855 177.584 -0.324 0.000 1.056 451 A CA -0.553 51.239 52.037 -0.409 0.000 0.688 451 A CB 2.073 20.776 19.000 -0.496 0.000 1.282 451 A HN 0.093 nan 8.150 nan 0.000 0.400 452 V N 4.020 123.713 119.914 -0.369 0.000 2.577 452 V HA 0.542 4.655 4.120 -0.011 0.000 0.303 452 V C -0.754 175.163 176.094 -0.294 0.000 1.042 452 V CA -0.767 61.308 62.300 -0.376 0.000 0.872 452 V CB 1.853 33.320 31.823 -0.593 0.000 0.998 452 V HN 1.029 nan 8.190 nan 0.000 0.423 453 N N 2.941 121.484 118.700 -0.261 0.000 2.265 453 N HA 0.623 5.357 4.740 -0.011 0.000 0.300 453 N C -0.248 175.180 175.510 -0.137 0.000 1.148 453 N CA -0.389 52.556 53.050 -0.175 0.000 0.772 453 N CB 2.942 41.303 38.487 -0.210 0.000 1.434 453 N HN 0.649 nan 8.380 nan 0.000 0.481 454 G N -0.786 107.971 108.800 -0.072 0.000 2.522 454 G HA2 0.409 4.362 3.960 -0.011 0.000 0.304 454 G HA3 0.409 4.362 3.960 -0.011 0.000 0.304 454 G C 0.830 175.804 174.900 0.124 0.000 1.210 454 G CA -0.533 44.586 45.100 0.032 0.000 0.960 454 G HN 0.596 nan 8.290 nan 0.000 0.497 455 V N -3.465 116.623 119.914 0.289 0.000 3.483 455 V HA 0.680 4.794 4.120 -0.011 0.000 0.301 455 V C 0.628 176.794 176.094 0.120 0.000 1.389 455 V CA 0.392 62.761 62.300 0.115 0.000 1.101 455 V CB -0.813 31.010 31.823 0.000 0.000 0.971 455 V HN 1.292 nan 8.190 nan 0.000 0.434 456 A N -0.174 122.733 122.820 0.144 0.000 2.594 456 A HA 0.623 4.936 4.320 -0.011 0.000 0.296 456 A C 0.713 178.346 177.584 0.082 0.000 1.061 456 A CA -0.162 51.940 52.037 0.108 0.000 0.689 456 A CB 1.238 20.293 19.000 0.093 0.000 1.280 456 A HN 0.013 nan 8.150 nan 0.000 0.406 457 R N 0.941 121.468 120.500 0.046 0.000 2.113 457 R HA -0.193 4.141 4.340 -0.011 0.000 0.244 457 R C 1.715 178.012 176.300 -0.005 0.000 1.142 457 R CA 2.414 58.518 56.100 0.008 0.000 0.953 457 R CB -0.254 30.046 30.300 -0.000 0.000 0.860 457 R HN 0.839 nan 8.270 nan 0.000 0.438 458 I N 0.049 120.626 120.570 0.012 0.000 2.286 458 I HA -0.293 3.871 4.170 -0.011 0.000 0.248 458 I C 2.344 178.467 176.117 0.009 0.000 1.115 458 I CA 1.955 63.254 61.300 -0.002 0.000 1.392 458 I CB -0.239 37.761 38.000 0.000 0.000 1.065 458 I HN 0.340 nan 8.210 nan 0.000 0.418 459 H N 0.093 119.133 119.070 -0.049 0.000 2.389 459 H HA -0.102 4.447 4.556 -0.011 0.000 0.299 459 H C 2.216 177.507 175.328 -0.062 0.000 1.081 459 H CA 2.090 58.103 56.048 -0.058 0.000 1.345 459 H CB -0.199 29.535 29.762 -0.046 0.000 1.393 459 H HN 0.238 nan 8.280 nan 0.000 0.520 460 S N -0.050 115.535 115.700 -0.192 0.000 2.402 460 S HA -0.097 4.366 4.470 -0.011 0.000 0.229 460 S C 1.829 176.302 174.600 -0.210 0.000 1.021 460 S CA 1.069 59.133 58.200 -0.227 0.000 0.974 460 S CB -0.040 63.100 63.200 -0.099 0.000 0.800 460 S HN 0.472 nan 8.310 nan 0.000 0.484 461 E N 1.106 121.205 120.200 -0.169 0.000 2.112 461 E HA 0.071 4.414 4.350 -0.011 0.000 0.190 461 E C 1.956 178.433 176.600 -0.205 0.000 0.979 461 E CA 0.522 56.813 56.400 -0.182 0.000 0.814 461 E CB -0.323 29.302 29.700 -0.124 0.000 0.762 461 E HN 0.492 nan 8.360 nan 0.000 0.460 462 I N 0.945 121.406 120.570 -0.182 0.000 2.361 462 I HA -0.257 3.907 4.170 -0.011 0.000 0.251 462 I C 2.281 178.256 176.117 -0.236 0.000 1.133 462 I CA 0.711 61.907 61.300 -0.174 0.000 1.413 462 I CB -0.140 37.788 38.000 -0.121 0.000 1.073 462 I HN 0.059 nan 8.210 nan 0.000 0.424 463 L N 0.224 121.267 121.223 -0.300 0.000 2.056 463 L HA -0.213 4.120 4.340 -0.011 0.000 0.207 463 L C 2.464 179.192 176.870 -0.236 0.000 1.078 463 L CA 1.508 56.177 54.840 -0.286 0.000 0.749 463 L CB -0.528 41.433 42.059 -0.164 0.000 0.901 463 L HN 0.199 nan 8.230 nan 0.000 0.433 464 K N -0.040 120.151 120.400 -0.348 0.000 2.116 464 K HA -0.101 4.213 4.320 -0.011 0.000 0.203 464 K C 2.082 178.469 176.600 -0.354 0.000 1.052 464 K CA 0.914 56.858 56.287 -0.571 0.000 0.952 464 K CB 0.087 32.008 32.500 -0.964 0.000 0.729 464 K HN 0.223 nan 8.250 nan 0.000 0.446 465 K N -0.209 120.038 120.400 -0.255 0.000 2.243 465 K HA 0.017 4.330 4.320 -0.011 0.000 0.201 465 K C 1.295 177.831 176.600 -0.107 0.000 1.051 465 K CA 0.985 57.181 56.287 -0.153 0.000 0.970 465 K CB 0.433 32.855 32.500 -0.131 0.000 0.755 465 K HN 0.073 nan 8.250 nan 0.000 0.465 466 T N 0.431 114.908 114.554 -0.128 0.000 3.066 466 T HA 0.065 4.408 4.350 -0.011 0.000 0.176 466 T C 1.512 176.149 174.700 -0.104 0.000 0.826 466 T CA -0.393 61.645 62.100 -0.104 0.000 1.280 466 T CB -0.458 68.342 68.868 -0.114 0.000 2.214 466 T HN -0.079 nan 8.240 nan 0.000 0.399 467 I N 1.050 121.494 120.570 -0.209 0.000 2.121 467 I HA -0.200 3.963 4.170 -0.011 0.000 0.243 467 I C 0.833 176.858 176.117 -0.153 0.000 1.047 467 I CA 1.937 63.041 61.300 -0.328 0.000 1.308 467 I CB -0.180 37.392 38.000 -0.713 0.000 1.015 467 I HN 0.389 nan 8.210 nan 0.000 0.410 468 F N -0.401 119.615 119.950 0.111 0.000 2.772 468 F HA 0.213 4.733 4.527 -0.011 0.000 0.302 468 F C 1.770 177.661 175.800 0.153 0.000 1.136 468 F CA -0.493 57.655 58.000 0.247 0.000 1.322 468 F CB -0.160 38.999 39.000 0.266 0.000 0.967 468 F HN -0.095 nan 8.300 nan 0.000 0.513 469 K N 1.031 121.540 120.400 0.182 0.000 2.044 469 K HA -0.223 4.091 4.320 -0.011 0.000 0.210 469 K C 1.283 177.938 176.600 0.092 0.000 1.049 469 K CA 2.150 58.487 56.287 0.084 0.000 0.927 469 K CB -0.040 32.474 32.500 0.023 0.000 0.713 469 K HN 0.237 nan 8.250 nan 0.000 0.443 470 D N -0.261 120.164 120.400 0.041 0.000 2.144 470 D HA -0.157 4.477 4.640 -0.011 0.000 0.199 470 D C 1.823 178.031 176.300 -0.154 0.000 0.984 470 D CA 1.176 55.074 54.000 -0.170 0.000 0.834 470 D CB -0.273 40.324 40.800 -0.338 0.000 0.955 470 D HN 0.232 nan 8.370 nan 0.000 0.465 471 F N -0.196 119.837 119.950 0.138 0.000 2.206 471 F HA -0.123 4.398 4.527 -0.011 0.000 0.298 471 F C 2.315 178.276 175.800 0.269 0.000 1.090 471 F CA 0.432 58.596 58.000 0.275 0.000 1.323 471 F CB -0.608 38.630 39.000 0.398 0.000 1.028 471 F HN -0.044 nan 8.300 nan 0.000 0.492 472 Y N 1.384 121.671 120.300 -0.022 0.000 2.242 472 Y HA -0.178 4.366 4.550 -0.011 0.000 0.291 472 Y C 2.086 177.970 175.900 -0.025 0.000 1.137 472 Y CA 1.580 59.467 58.100 -0.356 0.000 1.181 472 Y CB -0.601 37.465 38.460 -0.656 0.000 0.989 472 Y HN 0.133 nan 8.280 nan 0.000 0.527 473 E N -0.124 120.013 120.200 -0.104 0.000 2.150 473 E HA -0.184 4.159 4.350 -0.011 0.000 0.193 473 E C 2.240 178.891 176.600 0.086 0.000 0.985 473 E CA 0.948 57.303 56.400 -0.075 0.000 0.814 473 E CB -0.186 29.524 29.700 0.018 0.000 0.752 473 E HN 0.445 nan 8.360 nan 0.000 0.466 474 L N 0.842 122.163 121.223 0.163 0.000 2.044 474 L HA -0.074 4.259 4.340 -0.011 0.000 0.205 474 L C 0.159 177.103 176.870 0.124 0.000 1.075 474 L CA 1.461 56.432 54.840 0.218 0.000 0.747 474 L CB 0.128 42.331 42.059 0.240 0.000 0.903 474 L HN 0.067 nan 8.230 nan 0.000 0.435 475 E N 0.030 120.292 120.200 0.103 0.000 2.914 475 E HA 0.174 4.518 4.350 -0.011 0.000 0.246 475 E C -2.005 174.508 176.600 -0.145 0.000 1.146 475 E CA -1.458 54.877 56.400 -0.109 0.000 0.803 475 E CB 1.006 30.611 29.700 -0.158 0.000 1.409 475 E HN 0.180 nan 8.360 nan 0.000 0.392 476 P HA -0.255 nan 4.420 nan 0.000 0.218 476 P C 1.257 178.650 177.300 0.155 0.000 1.148 476 P CA 1.425 64.428 63.100 -0.163 0.000 0.822 476 P CB -0.125 31.357 31.700 -0.363 0.000 0.784 477 H N 0.237 119.410 119.070 0.172 0.000 2.489 477 H HA 0.023 4.572 4.556 -0.011 0.000 0.295 477 H C 1.515 176.929 175.328 0.143 0.000 1.082 477 H CA 0.876 57.013 56.048 0.148 0.000 1.295 477 H CB -0.628 29.192 29.762 0.096 0.000 1.380 477 H HN 0.161 nan 8.280 nan 0.000 0.548 478 K N 0.424 120.779 120.400 -0.075 0.000 2.155 478 K HA 0.029 4.342 4.320 -0.011 0.000 0.203 478 K C -0.002 176.470 176.600 -0.213 0.000 1.052 478 K CA 0.305 56.504 56.287 -0.146 0.000 0.948 478 K CB 0.054 32.325 32.500 -0.382 0.000 0.728 478 K HN 0.102 nan 8.250 nan 0.000 0.448 479 F N 1.996 121.983 119.950 0.061 0.000 2.467 479 F HA 0.107 4.627 4.527 -0.011 0.000 0.362 479 F C 0.640 176.447 175.800 0.011 0.000 1.090 479 F CA -0.010 58.022 58.000 0.053 0.000 1.202 479 F CB 0.690 39.772 39.000 0.137 0.000 1.113 479 F HN -0.035 nan 8.300 nan 0.000 0.541 480 Q N 1.788 121.624 119.800 0.060 0.000 2.882 480 Q HA 0.413 4.746 4.340 -0.011 0.000 0.315 480 Q C -1.243 174.721 176.000 -0.059 0.000 1.004 480 Q CA -1.330 54.461 55.803 -0.020 0.000 0.777 480 Q CB 2.903 31.575 28.738 -0.109 0.000 1.506 480 Q HN 0.632 nan 8.270 nan 0.000 0.489 481 N N 0.288 118.929 118.700 -0.099 0.000 2.229 481 N HA 0.288 5.021 4.740 -0.011 0.000 0.298 481 N C -1.639 173.772 175.510 -0.165 0.000 1.114 481 N CA -0.395 52.595 53.050 -0.100 0.000 0.776 481 N CB 1.394 39.845 38.487 -0.060 0.000 1.501 481 N HN 0.309 nan 8.380 nan 0.000 0.474 482 K N 2.537 122.846 120.400 -0.152 0.000 2.764 482 K HA 0.175 4.489 4.320 -0.011 0.000 0.239 482 K C -1.063 175.545 176.600 0.013 0.000 1.048 482 K CA -0.465 55.705 56.287 -0.195 0.000 1.057 482 K CB 1.165 33.319 32.500 -0.576 0.000 1.251 482 K HN 0.555 nan 8.250 nan 0.000 0.524 483 T N 2.036 116.615 114.554 0.042 0.000 2.908 483 T HA 0.049 4.393 4.350 -0.011 0.000 0.301 483 T C 0.847 175.672 174.700 0.208 0.000 1.019 483 T CA 0.410 62.584 62.100 0.124 0.000 1.152 483 T CB 0.303 69.243 68.868 0.121 0.000 0.966 483 T HN 0.348 nan 8.240 nan 0.000 0.540 484 N N 0.544 119.387 118.700 0.238 0.000 2.260 484 N HA 0.419 5.152 4.740 -0.011 0.000 0.230 484 N C 0.488 176.182 175.510 0.308 0.000 1.323 484 N CA -0.186 53.037 53.050 0.288 0.000 0.897 484 N CB 0.367 38.966 38.487 0.186 0.000 1.146 484 N HN 0.767 nan 8.380 nan 0.000 0.460 485 G N -0.823 108.162 108.800 0.310 0.000 2.600 485 G HA2 0.571 4.524 3.960 -0.011 0.000 0.293 485 G HA3 0.571 4.524 3.960 -0.011 0.000 0.293 485 G C -1.470 173.569 174.900 0.232 0.000 1.408 485 G CA -0.755 44.520 45.100 0.291 0.000 0.782 485 G HN 0.597 nan 8.290 nan 0.000 0.482 486 I N -2.523 118.173 120.570 0.210 0.000 3.042 486 I HA 0.798 4.962 4.170 -0.011 0.000 0.310 486 I C -0.220 176.064 176.117 0.279 0.000 1.117 486 I CA -1.031 60.395 61.300 0.209 0.000 1.003 486 I CB 2.411 40.433 38.000 0.036 0.000 1.228 486 I HN 0.495 nan 8.210 nan 0.000 0.443 487 T N 3.267 118.045 114.554 0.373 0.000 2.780 487 T HA 0.390 4.734 4.350 -0.011 0.000 0.294 487 T C -1.482 173.334 174.700 0.194 0.000 0.949 487 T CA -1.777 60.454 62.100 0.218 0.000 1.074 487 T CB 0.858 69.789 68.868 0.105 0.000 0.910 487 T HN 0.608 nan 8.240 nan 0.000 0.501 488 P HA 0.003 nan 4.420 nan 0.000 0.226 488 P C 1.181 178.451 177.300 -0.050 0.000 1.153 488 P CA 0.487 63.624 63.100 0.061 0.000 0.777 488 P CB 0.365 32.083 31.700 0.029 0.000 0.794 489 R N 0.421 120.836 120.500 -0.142 0.000 2.070 489 R HA -0.022 4.311 4.340 -0.011 0.000 0.227 489 R C 2.723 178.902 176.300 -0.201 0.000 1.147 489 R CA 1.665 57.633 56.100 -0.220 0.000 0.924 489 R CB -1.194 28.970 30.300 -0.226 0.000 0.827 489 R HN 0.059 nan 8.270 nan 0.000 0.431 490 R N -0.743 119.579 120.500 -0.296 0.000 2.092 490 R HA -0.106 4.228 4.340 -0.011 0.000 0.231 490 R C 1.005 176.982 176.300 -0.537 0.000 1.119 490 R CA 1.456 57.247 56.100 -0.515 0.000 0.970 490 R CB -0.166 29.644 30.300 -0.817 0.000 0.864 490 R HN 0.313 nan 8.270 nan 0.000 0.440 491 W N 0.158 121.413 121.300 -0.075 0.000 3.438 491 W HA 0.154 4.807 4.660 -0.012 0.000 0.322 491 W C 0.839 177.326 176.519 -0.054 0.000 1.261 491 W CA -0.724 56.577 57.345 -0.074 0.000 1.788 491 W CB 0.420 29.842 29.460 -0.063 0.000 1.065 491 W HN 0.238 nan 8.180 nan 0.000 0.715 492 L N -2.633 118.651 121.223 0.103 0.000 2.208 492 L HA 0.132 4.465 4.340 -0.011 0.000 0.133 492 L C 1.722 178.610 176.870 0.031 0.000 1.385 492 L CA 0.610 55.502 54.840 0.087 0.000 1.030 492 L CB -0.841 41.290 42.059 0.121 0.000 2.075 492 L HN -0.275 nan 8.230 nan 0.000 0.482 493 V N 1.394 121.302 119.914 -0.009 0.000 2.324 493 V HA -0.288 3.825 4.120 -0.011 0.000 0.250 493 V C 2.416 178.485 176.094 -0.040 0.000 1.060 493 V CA 2.593 64.877 62.300 -0.028 0.000 1.042 493 V CB -0.717 31.056 31.823 -0.082 0.000 0.650 493 V HN 0.520 nan 8.190 nan 0.000 0.450 494 L N 0.337 121.510 121.223 -0.083 0.000 2.023 494 L HA -0.161 4.173 4.340 -0.011 0.000 0.205 494 L C 2.499 179.317 176.870 -0.087 0.000 1.073 494 L CA 2.251 57.028 54.840 -0.106 0.000 0.745 494 L CB -0.229 41.718 42.059 -0.187 0.000 0.900 494 L HN 0.645 nan 8.230 nan 0.000 0.435 495 C N -1.894 117.357 119.300 -0.083 0.000 2.533 495 C HA 0.198 4.652 4.460 -0.011 0.000 0.272 495 C C 1.171 176.156 174.990 -0.008 0.000 1.371 495 C CA -0.337 58.653 59.018 -0.046 0.000 1.758 495 C CB -1.000 26.729 27.740 -0.018 0.000 1.972 495 C HN 0.555 nan 8.230 nan 0.000 0.522 496 N N 1.215 119.919 118.700 0.007 0.000 2.733 496 N HA 0.293 5.026 4.740 -0.011 0.000 0.271 496 N C -1.838 173.687 175.510 0.026 0.000 1.720 496 N CA -1.571 51.490 53.050 0.020 0.000 0.803 496 N CB 0.908 39.414 38.487 0.032 0.000 1.208 496 N HN 0.248 nan 8.380 nan 0.000 0.498 497 P HA -0.028 nan 4.420 nan 0.000 0.217 497 P C 1.392 178.710 177.300 0.030 0.000 1.150 497 P CA 0.866 63.980 63.100 0.023 0.000 0.832 497 P CB 0.270 31.977 31.700 0.011 0.000 0.787 498 G N 0.523 109.336 108.800 0.021 0.000 2.442 498 G HA2 -0.240 3.713 3.960 -0.011 0.000 0.219 498 G HA3 -0.240 3.713 3.960 -0.011 0.000 0.219 498 G C 1.514 176.423 174.900 0.015 0.000 1.141 498 G CA 0.663 45.773 45.100 0.015 0.000 0.763 498 G HN 0.259 nan 8.290 nan 0.000 0.554 499 L N 1.063 122.298 121.223 0.019 0.000 2.095 499 L HA 0.359 4.692 4.340 -0.011 0.000 0.204 499 L C 3.013 179.917 176.870 0.056 0.000 1.080 499 L CA 1.905 56.755 54.840 0.016 0.000 0.759 499 L CB -0.705 41.364 42.059 0.016 0.000 0.914 499 L HN 0.197 nan 8.230 nan 0.000 0.439 500 A N -0.632 122.243 122.820 0.091 0.000 1.940 500 A HA -0.253 4.060 4.320 -0.011 0.000 0.219 500 A C 2.224 179.908 177.584 0.167 0.000 1.176 500 A CA 1.817 53.960 52.037 0.177 0.000 0.631 500 A CB -0.653 18.439 19.000 0.153 0.000 0.814 500 A HN 0.565 nan 8.150 nan 0.000 0.446 501 E N 0.757 121.015 120.200 0.097 0.000 2.028 501 E HA -0.160 4.183 4.350 -0.011 0.000 0.191 501 E C 1.850 178.496 176.600 0.076 0.000 0.988 501 E CA 1.616 58.064 56.400 0.080 0.000 0.799 501 E CB -0.528 29.200 29.700 0.047 0.000 0.755 501 E HN 0.734 nan 8.360 nan 0.000 0.447 502 I N -1.605 119.004 120.570 0.065 0.000 2.361 502 I HA -0.147 4.016 4.170 -0.011 0.000 0.251 502 I C 2.188 178.393 176.117 0.147 0.000 1.133 502 I CA 1.147 62.501 61.300 0.089 0.000 1.413 502 I CB -0.364 37.665 38.000 0.048 0.000 1.073 502 I HN 0.035 nan 8.210 nan 0.000 0.424 503 I N 1.964 122.600 120.570 0.111 0.000 2.202 503 I HA -0.205 3.958 4.170 -0.011 0.000 0.242 503 I C 3.018 179.108 176.117 -0.045 0.000 1.091 503 I CA 1.398 62.703 61.300 0.008 0.000 1.368 503 I CB -0.459 37.440 38.000 -0.169 0.000 1.058 503 I HN 0.307 nan 8.210 nan 0.000 0.410 504 A N 0.193 123.072 122.820 0.099 0.000 1.972 504 A HA -0.237 4.076 4.320 -0.011 0.000 0.219 504 A C 2.167 179.785 177.584 0.057 0.000 1.169 504 A CA 1.623 53.758 52.037 0.164 0.000 0.635 504 A CB -0.604 18.523 19.000 0.212 0.000 0.810 504 A HN 0.434 nan 8.150 nan 0.000 0.446 505 E N -0.720 119.496 120.200 0.027 0.000 2.160 505 E HA -0.207 4.137 4.350 -0.011 0.000 0.195 505 E C 2.250 178.815 176.600 -0.059 0.000 0.991 505 E CA 1.247 57.646 56.400 -0.002 0.000 0.810 505 E CB -0.002 29.703 29.700 0.009 0.000 0.742 505 E HN 0.529 nan 8.360 nan 0.000 0.466 506 R N -0.086 120.321 120.500 -0.155 0.000 2.103 506 R HA 0.085 4.419 4.340 -0.011 0.000 0.212 506 R C 2.309 178.513 176.300 -0.161 0.000 1.107 506 R CA 0.828 56.751 56.100 -0.295 0.000 1.025 506 R CB -0.309 29.484 30.300 -0.845 0.000 0.929 506 R HN 0.286 nan 8.270 nan 0.000 0.456 507 I N -2.299 118.192 120.570 -0.131 0.000 4.025 507 I HA 0.444 4.607 4.170 -0.011 0.000 0.336 507 I C 0.439 176.594 176.117 0.065 0.000 1.390 507 I CA 0.070 61.355 61.300 -0.025 0.000 1.099 507 I CB 0.766 38.735 38.000 -0.052 0.000 1.049 507 I HN 0.210 nan 8.210 nan 0.000 0.394 508 G N 1.942 110.794 108.800 0.086 0.000 2.660 508 G HA2 -0.209 3.745 3.960 -0.011 0.000 0.247 508 G HA3 -0.209 3.745 3.960 -0.011 0.000 0.247 508 G C -0.059 174.983 174.900 0.238 0.000 1.328 508 G CA 0.142 45.320 45.100 0.129 0.000 0.884 508 G HN 0.424 nan 8.290 nan 0.000 0.531 509 E N -0.107 120.177 120.200 0.141 0.000 2.460 509 E HA 0.107 4.451 4.350 -0.011 0.000 0.200 509 E C 1.977 178.539 176.600 -0.064 0.000 1.011 509 E CA 0.393 56.813 56.400 0.034 0.000 0.912 509 E CB 0.294 30.005 29.700 0.018 0.000 0.953 509 E HN 0.649 nan 8.360 nan 0.000 0.494 510 E N 0.507 120.738 120.200 0.051 0.000 2.209 510 E HA -0.225 4.118 4.350 -0.011 0.000 0.196 510 E C 1.665 178.275 176.600 0.016 0.000 0.993 510 E CA 1.172 57.595 56.400 0.039 0.000 0.819 510 E CB -0.265 29.478 29.700 0.071 0.000 0.745 510 E HN 0.508 nan 8.360 nan 0.000 0.477 511 Y N -0.093 120.220 120.300 0.022 0.000 2.421 511 Y HA -0.100 4.444 4.550 -0.009 0.000 0.292 511 Y C 1.849 177.737 175.900 -0.019 0.000 1.136 511 Y CA 0.435 58.539 58.100 0.008 0.000 1.255 511 Y CB -0.286 38.181 38.460 0.011 0.000 0.991 511 Y HN -0.073 nan 8.280 nan 0.000 0.552 512 I N 1.158 121.261 120.570 -0.778 0.000 2.335 512 I HA -0.220 3.944 4.170 -0.011 0.000 0.251 512 I C 1.501 177.390 176.117 -0.380 0.000 1.129 512 I CA 1.803 62.706 61.300 -0.661 0.000 1.402 512 I CB -1.276 36.265 38.000 -0.765 0.000 1.069 512 I HN 0.507 nan 8.210 nan 0.000 0.424 513 S N -1.479 114.107 115.700 -0.191 0.000 2.663 513 S HA 0.208 4.672 4.470 -0.011 0.000 0.243 513 S C 0.233 174.830 174.600 -0.006 0.000 1.009 513 S CA -0.423 57.738 58.200 -0.066 0.000 0.988 513 S CB 0.453 63.689 63.200 0.060 0.000 0.896 513 S HN 0.285 nan 8.310 nan 0.000 0.502 514 D N 0.927 121.330 120.400 0.006 0.000 3.118 514 D HA 0.243 4.877 4.640 -0.011 0.000 0.286 514 D C 0.739 177.094 176.300 0.091 0.000 1.255 514 D CA -0.327 53.700 54.000 0.046 0.000 0.748 514 D CB -0.158 40.673 40.800 0.052 0.000 1.332 514 D HN 0.089 nan 8.370 nan 0.000 0.575 515 L N 0.314 121.591 121.223 0.090 0.000 2.270 515 L HA -0.166 4.167 4.340 -0.011 0.000 0.217 515 L C 1.139 178.070 176.870 0.102 0.000 1.107 515 L CA 1.291 56.213 54.840 0.137 0.000 0.772 515 L CB 0.025 42.152 42.059 0.113 0.000 0.902 515 L HN 0.313 nan 8.230 nan 0.000 0.439 516 D N -0.331 120.104 120.400 0.059 0.000 2.182 516 D HA -0.220 4.414 4.640 -0.011 0.000 0.201 516 D C 2.039 178.364 176.300 0.042 0.000 0.986 516 D CA 0.957 54.976 54.000 0.032 0.000 0.847 516 D CB -0.037 40.769 40.800 0.010 0.000 0.942 516 D HN 0.499 nan 8.370 nan 0.000 0.467 517 Q N -0.215 119.628 119.800 0.071 0.000 2.439 517 Q HA -0.114 4.220 4.340 -0.011 0.000 0.211 517 Q C 1.746 177.765 176.000 0.031 0.000 0.978 517 Q CA 0.108 55.952 55.803 0.067 0.000 0.897 517 Q CB 0.059 28.867 28.738 0.117 0.000 0.956 517 Q HN 0.189 nan 8.270 nan 0.000 0.483 518 L N 0.628 121.863 121.223 0.021 0.000 2.265 518 L HA -0.151 4.182 4.340 -0.011 0.000 0.215 518 L C 2.040 178.906 176.870 -0.007 0.000 1.117 518 L CA 1.468 56.285 54.840 -0.039 0.000 0.782 518 L CB -0.436 41.616 42.059 -0.011 0.000 0.914 518 L HN 0.130 nan 8.230 nan 0.000 0.441 519 R N -0.510 119.997 120.500 0.012 0.000 2.127 519 R HA -0.176 4.157 4.340 -0.011 0.000 0.238 519 R C 1.994 178.302 176.300 0.014 0.000 1.134 519 R CA 1.035 57.144 56.100 0.015 0.000 0.975 519 R CB -0.216 30.090 30.300 0.009 0.000 0.865 519 R HN 0.400 nan 8.270 nan 0.000 0.447 520 K N 0.624 121.032 120.400 0.014 0.000 2.286 520 K HA -0.130 4.183 4.320 -0.011 0.000 0.203 520 K C 1.894 178.538 176.600 0.074 0.000 1.045 520 K CA 0.878 57.182 56.287 0.028 0.000 0.935 520 K CB -0.116 32.406 32.500 0.038 0.000 0.737 520 K HN 0.257 nan 8.250 nan 0.000 0.460 521 L N 0.574 121.828 121.223 0.051 0.000 2.376 521 L HA -0.135 4.198 4.340 -0.011 0.000 0.219 521 L C 1.948 178.889 176.870 0.118 0.000 1.133 521 L CA 0.050 54.940 54.840 0.083 0.000 0.816 521 L CB -0.207 41.866 42.059 0.024 0.000 0.933 521 L HN 0.134 nan 8.230 nan 0.000 0.449 522 L N 0.107 121.364 121.223 0.057 0.000 2.079 522 L HA -0.195 4.139 4.340 -0.011 0.000 0.210 522 L C 2.660 179.519 176.870 -0.019 0.000 1.081 522 L CA 1.972 56.830 54.840 0.031 0.000 0.752 522 L CB -0.902 41.160 42.059 0.006 0.000 0.896 522 L HN 0.339 nan 8.230 nan 0.000 0.433 523 S N -2.642 112.994 115.700 -0.105 0.000 2.727 523 S HA -0.071 4.392 4.470 -0.011 0.000 0.226 523 S C 1.011 175.313 174.600 -0.496 0.000 0.963 523 S CA 0.245 58.272 58.200 -0.289 0.000 0.950 523 S CB -0.579 62.393 63.200 -0.380 0.000 0.779 523 S HN 0.472 nan 8.310 nan 0.000 0.532 524 Y N -0.889 119.342 120.300 -0.115 0.000 2.588 524 Y HA 0.415 4.963 4.550 -0.004 0.000 0.247 524 Y C 1.815 177.737 175.900 0.037 0.000 1.157 524 Y CA -0.643 57.379 58.100 -0.130 0.000 1.215 524 Y CB 0.210 38.386 38.460 -0.473 0.000 1.245 524 Y HN 0.248 nan 8.280 nan 0.000 0.534 525 V N 0.541 120.540 119.914 0.141 0.000 2.568 525 V HA -0.229 3.885 4.120 -0.011 0.000 0.253 525 V C 0.915 177.078 176.094 0.116 0.000 1.072 525 V CA 2.354 64.740 62.300 0.145 0.000 1.084 525 V CB 0.003 31.872 31.823 0.078 0.000 0.676 525 V HN 0.354 nan 8.190 nan 0.000 0.469 526 D N -0.845 119.602 120.400 0.079 0.000 2.431 526 D HA 0.122 4.755 4.640 -0.011 0.000 0.213 526 D C 0.316 176.664 176.300 0.080 0.000 1.130 526 D CA -0.069 53.968 54.000 0.061 0.000 0.834 526 D CB 0.111 40.924 40.800 0.021 0.000 0.985 526 D HN 0.435 nan 8.370 nan 0.000 0.504 527 D N 1.554 122.036 120.400 0.136 0.000 2.371 527 D HA -0.039 4.595 4.640 -0.011 0.000 0.256 527 D C 1.209 177.611 176.300 0.170 0.000 1.193 527 D CA 0.050 54.152 54.000 0.169 0.000 0.881 527 D CB 1.604 42.576 40.800 0.287 0.000 1.143 527 D HN -0.225 nan 8.370 nan 0.000 0.473 528 E N 3.316 123.584 120.200 0.114 0.000 2.110 528 E HA -0.116 4.227 4.350 -0.011 0.000 0.193 528 E C 1.661 178.319 176.600 0.097 0.000 0.988 528 E CA 1.263 57.716 56.400 0.088 0.000 0.804 528 E CB -0.160 29.575 29.700 0.058 0.000 0.745 528 E HN 0.596 nan 8.360 nan 0.000 0.458 529 A N -0.323 122.569 122.820 0.120 0.000 1.873 529 A HA -0.120 4.194 4.320 -0.011 0.000 0.215 529 A C 2.291 179.967 177.584 0.153 0.000 1.186 529 A CA 1.212 53.317 52.037 0.114 0.000 0.616 529 A CB -0.998 18.069 19.000 0.113 0.000 0.823 529 A HN 0.384 nan 8.150 nan 0.000 0.442 530 F N 0.363 120.329 119.950 0.027 0.000 2.095 530 F HA -0.194 4.328 4.527 -0.009 0.000 0.298 530 F C 2.105 177.913 175.800 0.014 0.000 1.104 530 F CA 1.732 59.734 58.000 0.004 0.000 1.232 530 F CB -0.140 38.873 39.000 0.022 0.000 0.987 530 F HN 0.165 nan 8.300 nan 0.000 0.475 531 I N 0.128 120.759 120.570 0.100 0.000 2.194 531 I HA -0.379 3.784 4.170 -0.011 0.000 0.246 531 I C 2.556 178.635 176.117 -0.062 0.000 1.093 531 I CA 1.721 63.020 61.300 -0.003 0.000 1.355 531 I CB -0.451 37.584 38.000 0.059 0.000 1.046 531 I HN 0.104 nan 8.210 nan 0.000 0.413 532 R N 0.669 121.153 120.500 -0.026 0.000 2.092 532 R HA -0.181 4.153 4.340 -0.011 0.000 0.231 532 R C 1.858 178.114 176.300 -0.073 0.000 1.119 532 R CA 1.736 57.814 56.100 -0.035 0.000 0.970 532 R CB -0.086 30.210 30.300 -0.005 0.000 0.864 532 R HN 0.291 nan 8.270 nan 0.000 0.440 533 D N -0.430 119.905 120.400 -0.109 0.000 2.091 533 D HA -0.116 4.517 4.640 -0.011 0.000 0.199 533 D C 1.937 178.108 176.300 -0.215 0.000 0.980 533 D CA 1.323 55.239 54.000 -0.141 0.000 0.831 533 D CB -0.312 40.409 40.800 -0.132 0.000 0.987 533 D HN 0.031 nan 8.370 nan 0.000 0.460 534 V N 1.499 121.180 119.914 -0.389 0.000 2.324 534 V HA -0.290 3.823 4.120 -0.011 0.000 0.250 534 V C 2.456 178.453 176.094 -0.163 0.000 1.060 534 V CA 2.055 64.141 62.300 -0.356 0.000 1.042 534 V CB -0.819 30.722 31.823 -0.471 0.000 0.650 534 V HN 0.213 nan 8.190 nan 0.000 0.450 535 A N -0.930 121.817 122.820 -0.121 0.000 2.015 535 A HA -0.201 4.112 4.320 -0.011 0.000 0.219 535 A C 2.351 179.900 177.584 -0.059 0.000 1.163 535 A CA 1.844 53.846 52.037 -0.060 0.000 0.646 535 A CB -0.389 18.583 19.000 -0.047 0.000 0.806 535 A HN 0.537 nan 8.150 nan 0.000 0.448 536 K N 0.243 120.602 120.400 -0.068 0.000 2.062 536 K HA -0.081 4.232 4.320 -0.011 0.000 0.205 536 K C 1.963 178.538 176.600 -0.043 0.000 1.051 536 K CA 1.552 57.809 56.287 -0.050 0.000 0.941 536 K CB -0.283 32.190 32.500 -0.045 0.000 0.719 536 K HN 0.405 nan 8.250 nan 0.000 0.440 537 V N -0.107 119.776 119.914 -0.052 0.000 2.427 537 V HA -0.164 3.950 4.120 -0.011 0.000 0.248 537 V C 2.205 178.286 176.094 -0.023 0.000 1.051 537 V CA 1.941 64.221 62.300 -0.034 0.000 1.048 537 V CB -0.625 31.174 31.823 -0.040 0.000 0.666 537 V HN 0.175 nan 8.190 nan 0.000 0.456 538 K N 0.729 121.112 120.400 -0.028 0.000 2.097 538 K HA -0.193 4.120 4.320 -0.011 0.000 0.206 538 K C 2.263 178.840 176.600 -0.038 0.000 1.049 538 K CA 2.122 58.400 56.287 -0.015 0.000 0.933 538 K CB -0.634 31.872 32.500 0.009 0.000 0.717 538 K HN 0.567 nan 8.250 nan 0.000 0.442 539 Q N 0.939 120.711 119.800 -0.046 0.000 2.119 539 Q HA -0.056 4.277 4.340 -0.011 0.000 0.201 539 Q C 1.608 177.589 176.000 -0.031 0.000 0.972 539 Q CA 1.810 57.577 55.803 -0.059 0.000 0.847 539 Q CB -0.034 28.672 28.738 -0.053 0.000 0.903 539 Q HN 0.514 nan 8.270 nan 0.000 0.433 540 E N -0.595 119.598 120.200 -0.011 0.000 2.106 540 E HA -0.121 4.222 4.350 -0.011 0.000 0.192 540 E C 1.624 178.246 176.600 0.037 0.000 0.984 540 E CA 0.852 57.260 56.400 0.012 0.000 0.806 540 E CB 0.042 29.749 29.700 0.010 0.000 0.750 540 E HN 0.370 nan 8.360 nan 0.000 0.458 541 N N 0.866 119.585 118.700 0.031 0.000 2.142 541 N HA -0.129 4.604 4.740 -0.011 0.000 0.186 541 N C 1.392 176.975 175.510 0.120 0.000 1.023 541 N CA 1.066 54.154 53.050 0.063 0.000 0.852 541 N CB -0.038 38.471 38.487 0.036 0.000 0.998 541 N HN 0.120 nan 8.380 nan 0.000 0.424 542 K N 0.402 120.834 120.400 0.054 0.000 2.148 542 K HA 0.038 4.351 4.320 -0.011 0.000 0.204 542 K C 2.003 178.713 176.600 0.183 0.000 1.050 542 K CA 0.566 56.893 56.287 0.067 0.000 0.942 542 K CB -0.074 32.206 32.500 -0.367 0.000 0.724 542 K HN 0.119 nan 8.250 nan 0.000 0.446 543 L N 1.037 122.320 121.223 0.099 0.000 2.109 543 L HA -0.130 4.204 4.340 -0.011 0.000 0.207 543 L C 2.588 179.546 176.870 0.146 0.000 1.086 543 L CA 1.038 55.943 54.840 0.108 0.000 0.760 543 L CB -0.205 41.892 42.059 0.063 0.000 0.910 543 L HN 0.096 nan 8.230 nan 0.000 0.437 544 K N -0.327 120.167 120.400 0.158 0.000 2.057 544 K HA -0.183 4.131 4.320 -0.011 0.000 0.206 544 K C 2.167 178.911 176.600 0.240 0.000 1.050 544 K CA 1.444 57.833 56.287 0.170 0.000 0.935 544 K CB -0.180 32.409 32.500 0.148 0.000 0.715 544 K HN 0.111 nan 8.250 nan 0.000 0.439 545 F N 1.457 121.497 119.950 0.150 0.000 2.146 545 F HA -0.096 4.425 4.527 -0.011 0.000 0.298 545 F C 2.070 178.010 175.800 0.232 0.000 1.096 545 F CA 1.217 59.322 58.000 0.175 0.000 1.275 545 F CB -0.406 38.698 39.000 0.175 0.000 1.008 545 F HN 0.010 nan 8.300 nan 0.000 0.480 546 A N 0.085 123.028 122.820 0.207 0.000 1.972 546 A HA -0.030 4.283 4.320 -0.011 0.000 0.219 546 A C 2.377 179.968 177.584 0.012 0.000 1.169 546 A CA 1.703 53.790 52.037 0.083 0.000 0.635 546 A CB -1.397 17.709 19.000 0.177 0.000 0.810 546 A HN 0.457 nan 8.150 nan 0.000 0.446 547 A N -1.312 121.549 122.820 0.068 0.000 1.872 547 A HA -0.016 4.297 4.320 -0.011 0.000 0.214 547 A C 2.114 179.721 177.584 0.038 0.000 1.187 547 A CA 1.452 53.526 52.037 0.062 0.000 0.614 547 A CB -0.917 18.135 19.000 0.086 0.000 0.826 547 A HN 0.760 nan 8.150 nan 0.000 0.442 548 Y N 0.206 120.459 120.300 -0.080 0.000 2.193 548 Y HA -0.226 4.318 4.550 -0.011 0.000 0.285 548 Y C 1.862 177.682 175.900 -0.133 0.000 1.166 548 Y CA 1.722 59.765 58.100 -0.095 0.000 1.181 548 Y CB -0.342 38.066 38.460 -0.086 0.000 0.976 548 Y HN 0.190 nan 8.280 nan 0.000 0.520 549 L N 0.877 122.050 121.223 -0.084 0.000 2.042 549 L HA -0.206 4.128 4.340 -0.011 0.000 0.210 549 L C 2.344 179.174 176.870 -0.066 0.000 1.076 549 L CA 2.028 56.803 54.840 -0.107 0.000 0.749 549 L CB -1.051 40.875 42.059 -0.222 0.000 0.893 549 L HN 0.357 nan 8.230 nan 0.000 0.432 550 E N -1.584 118.581 120.200 -0.059 0.000 2.158 550 E HA -0.138 4.206 4.350 -0.011 0.000 0.191 550 E C 2.282 178.836 176.600 -0.076 0.000 0.982 550 E CA 0.332 56.719 56.400 -0.022 0.000 0.823 550 E CB 0.097 29.818 29.700 0.035 0.000 0.766 550 E HN 0.360 nan 8.360 nan 0.000 0.468 551 R N 0.754 121.175 120.500 -0.132 0.000 2.096 551 R HA -0.170 4.164 4.340 -0.011 0.000 0.229 551 R C 2.000 178.138 176.300 -0.270 0.000 1.134 551 R CA 1.690 57.685 56.100 -0.174 0.000 0.917 551 R CB -0.059 30.129 30.300 -0.186 0.000 0.832 551 R HN -0.010 nan 8.270 nan 0.000 0.430 552 E N -1.701 118.207 120.200 -0.486 0.000 2.318 552 E HA -0.053 4.290 4.350 -0.011 0.000 0.193 552 E C 0.732 176.869 176.600 -0.771 0.000 0.998 552 E CA 0.768 56.760 56.400 -0.681 0.000 0.859 552 E CB 0.409 29.498 29.700 -1.019 0.000 0.812 552 E HN 0.373 nan 8.360 nan 0.000 0.492 553 Y N -0.005 120.172 120.300 -0.205 0.000 2.452 553 Y HA 0.283 4.827 4.550 -0.011 0.000 0.262 553 Y C -0.382 175.484 175.900 -0.058 0.000 1.089 553 Y CA -0.445 57.595 58.100 -0.099 0.000 1.262 553 Y CB 0.697 39.111 38.460 -0.076 0.000 1.236 553 Y HN -0.331 nan 8.280 nan 0.000 0.512 554 K N 1.048 121.475 120.400 0.046 0.000 6.088 554 K HA -0.083 4.230 4.320 -0.011 0.000 0.624 554 K C -0.509 176.130 176.600 0.066 0.000 1.685 554 K CA 0.972 57.283 56.287 0.040 0.000 1.516 554 K CB -1.400 31.110 32.500 0.017 0.000 1.815 554 K HN 0.392 nan 8.250 nan 0.000 0.319 555 V N -2.601 117.357 119.914 0.073 0.000 5.969 555 V HA -0.008 4.106 4.120 -0.011 0.000 0.899 555 V C -0.111 176.057 176.094 0.123 0.000 2.504 555 V CA 0.005 62.359 62.300 0.090 0.000 4.677 555 V CB -1.168 30.702 31.823 0.079 0.000 0.137 555 V HN 1.021 nan 8.190 nan 0.000 0.650 556 H N 1.165 120.241 119.070 0.009 0.000 2.892 556 H HA -0.083 4.467 4.556 -0.011 0.000 0.274 556 H C -0.320 175.011 175.328 0.005 0.000 0.794 556 H CA 1.915 57.970 56.048 0.011 0.000 1.128 556 H CB 0.095 29.868 29.762 0.019 0.000 1.126 556 H HN 1.316 nan 8.280 nan 0.000 0.623 557 I N 0.037 120.240 120.570 -0.611 0.000 3.093 557 I HA 0.384 4.547 4.170 -0.011 0.000 0.308 557 I C -0.790 175.071 176.117 -0.426 0.000 1.303 557 I CA -1.279 59.814 61.300 -0.345 0.000 0.975 557 I CB 2.147 40.031 38.000 -0.194 0.000 1.286 557 I HN 0.621 nan 8.210 nan 0.000 0.459 558 N N 3.843 122.487 118.700 -0.093 0.000 2.439 558 N HA 0.495 5.229 4.740 -0.011 0.000 0.249 558 N C -2.143 173.460 175.510 0.154 0.000 1.003 558 N CA -2.552 50.512 53.050 0.023 0.000 0.942 558 N CB 1.348 39.876 38.487 0.069 0.000 1.115 558 N HN 0.367 nan 8.380 nan 0.000 0.505 559 P HA 0.062 nan 4.420 nan 0.000 0.239 559 P C -0.161 177.101 177.300 -0.062 0.000 1.184 559 P CA 0.893 64.031 63.100 0.063 0.000 0.760 559 P CB 0.147 31.876 31.700 0.048 0.000 0.884 560 N N -1.184 117.524 118.700 0.013 0.000 2.299 560 N HA 0.014 4.748 4.740 -0.011 0.000 0.187 560 N C 0.457 175.991 175.510 0.040 0.000 1.099 560 N CA -0.122 52.932 53.050 0.006 0.000 0.867 560 N CB 0.162 38.669 38.487 0.033 0.000 0.974 560 N HN 0.129 nan 8.380 nan 0.000 0.477 561 S N 0.122 115.854 115.700 0.054 0.000 2.655 561 S HA 0.237 4.701 4.470 -0.011 0.000 0.265 561 S C 0.010 174.578 174.600 -0.053 0.000 1.240 561 S CA -0.857 57.367 58.200 0.041 0.000 0.986 561 S CB 1.067 64.315 63.200 0.079 0.000 0.985 561 S HN 0.135 nan 8.310 nan 0.000 0.562 562 L N 1.389 122.449 121.223 -0.271 0.000 2.360 562 L HA 0.388 4.721 4.340 -0.011 0.000 0.276 562 L C -0.951 175.902 176.870 -0.027 0.000 1.121 562 L CA -0.559 53.932 54.840 -0.580 0.000 0.845 562 L CB -0.036 41.429 42.059 -0.990 0.000 1.143 562 L HN 0.698 nan 8.230 nan 0.000 0.452 563 F N 4.038 123.849 119.950 -0.232 0.000 2.377 563 F HA 0.096 4.617 4.527 -0.010 0.000 0.360 563 F C 0.421 176.141 175.800 -0.133 0.000 1.147 563 F CA -0.830 57.096 58.000 -0.123 0.000 1.170 563 F CB 0.558 39.530 39.000 -0.047 0.000 1.339 563 F HN 0.505 nan 8.300 nan 0.000 0.552 564 D N 4.905 125.295 120.400 -0.017 0.000 2.441 564 D HA 0.182 4.816 4.640 -0.011 0.000 0.221 564 D C -0.896 175.335 176.300 -0.115 0.000 1.156 564 D CA 0.061 54.007 54.000 -0.090 0.000 0.896 564 D CB 1.079 41.816 40.800 -0.105 0.000 1.028 564 D HN 0.249 nan 8.370 nan 0.000 0.509 565 V N 2.673 122.505 119.914 -0.136 0.000 2.604 565 V HA 0.566 4.680 4.120 -0.011 0.000 0.305 565 V C -1.226 174.733 176.094 -0.225 0.000 1.043 565 V CA -0.698 61.509 62.300 -0.155 0.000 0.888 565 V CB 1.914 33.690 31.823 -0.078 0.000 0.995 565 V HN 0.477 nan 8.190 nan 0.000 0.429 566 Q N 4.415 124.095 119.800 -0.200 0.000 2.394 566 Q HA 0.648 4.982 4.340 -0.011 0.000 0.261 566 Q C -1.499 174.350 176.000 -0.251 0.000 1.023 566 Q CA -0.652 55.024 55.803 -0.211 0.000 0.720 566 Q CB 1.885 30.523 28.738 -0.168 0.000 1.241 566 Q HN 1.143 nan 8.270 nan 0.000 0.483 567 V N 2.293 122.044 119.914 -0.272 0.000 2.443 567 V HA 0.833 4.947 4.120 -0.011 0.000 0.293 567 V C -0.818 174.994 176.094 -0.470 0.000 1.021 567 V CA -0.567 61.379 62.300 -0.589 0.000 0.848 567 V CB 1.166 32.416 31.823 -0.954 0.000 0.998 567 V HN 0.784 nan 8.190 nan 0.000 0.424 568 K N 2.865 123.055 120.400 -0.352 0.000 2.809 568 K HA 0.470 4.783 4.320 -0.011 0.000 0.293 568 K C -1.211 175.405 176.600 0.025 0.000 1.061 568 K CA -1.040 55.221 56.287 -0.043 0.000 0.837 568 K CB 1.126 33.600 32.500 -0.044 0.000 1.524 568 K HN 0.445 nan 8.250 nan 0.000 0.370 569 R N 0.690 121.261 120.500 0.118 0.000 2.756 569 R HA 0.199 4.532 4.340 -0.011 0.000 0.264 569 R C 0.380 176.707 176.300 0.045 0.000 1.026 569 R CA -0.323 55.853 56.100 0.126 0.000 1.121 569 R CB -0.145 30.273 30.300 0.197 0.000 0.999 569 R HN 0.483 nan 8.270 nan 0.000 0.449 570 I N 3.998 124.568 120.570 -0.001 0.000 2.396 570 I HA 0.123 4.286 4.170 -0.011 0.000 0.289 570 I C 0.672 176.667 176.117 -0.203 0.000 1.056 570 I CA 0.509 61.751 61.300 -0.096 0.000 1.365 570 I CB -0.072 37.861 38.000 -0.113 0.000 1.407 570 I HN 0.272 nan 8.210 nan 0.000 0.509 571 H N 4.298 123.264 119.070 -0.173 0.000 3.012 571 H HA 0.240 4.790 4.556 -0.011 0.000 0.367 571 H C 0.400 175.600 175.328 -0.214 0.000 1.211 571 H CA -0.455 55.521 56.048 -0.120 0.000 1.139 571 H CB 2.165 31.778 29.762 -0.248 0.000 1.838 571 H HN 0.526 nan 8.280 nan 0.000 0.550 572 E N 1.233 121.489 120.200 0.094 0.000 2.106 572 E HA -0.188 4.156 4.350 -0.011 0.000 0.192 572 E C 1.403 177.740 176.600 -0.438 0.000 0.984 572 E CA 1.283 57.658 56.400 -0.042 0.000 0.806 572 E CB 0.043 29.903 29.700 0.267 0.000 0.750 572 E HN 0.539 nan 8.360 nan 0.000 0.458 573 Y N 0.916 120.684 120.300 -0.887 0.000 2.421 573 Y HA -0.024 4.519 4.550 -0.011 0.000 0.292 573 Y C 1.467 177.111 175.900 -0.426 0.000 1.136 573 Y CA 0.734 58.171 58.100 -1.104 0.000 1.255 573 Y CB 0.008 37.856 38.460 -1.019 0.000 0.991 573 Y HN -0.201 nan 8.280 nan 0.000 0.552 574 K N 0.987 120.951 120.400 -0.726 0.000 2.432 574 K HA 0.034 4.348 4.320 -0.011 0.000 0.196 574 K C 0.219 176.656 176.600 -0.271 0.000 1.038 574 K CA 0.636 56.610 56.287 -0.522 0.000 0.986 574 K CB -0.125 32.080 32.500 -0.492 0.000 0.782 574 K HN 0.382 nan 8.250 nan 0.000 0.485 575 R N 0.898 121.261 120.500 -0.228 0.000 3.336 575 R HA -0.192 4.142 4.340 -0.011 0.000 0.260 575 R C 0.596 176.815 176.300 -0.136 0.000 1.032 575 R CA 0.219 56.232 56.100 -0.144 0.000 0.693 575 R CB -1.955 28.275 30.300 -0.117 0.000 1.134 575 R HN 0.226 nan 8.270 nan 0.000 0.433 576 Q N 0.191 119.910 119.800 -0.135 0.000 2.234 576 Q HA -0.049 4.285 4.340 -0.011 0.000 0.206 576 Q C 1.844 177.788 176.000 -0.093 0.000 0.980 576 Q CA 1.377 57.112 55.803 -0.112 0.000 0.869 576 Q CB 0.052 28.727 28.738 -0.105 0.000 0.912 576 Q HN 0.602 nan 8.270 nan 0.000 0.436 577 L N -0.650 120.519 121.223 -0.090 0.000 2.093 577 L HA -0.172 4.162 4.340 -0.011 0.000 0.208 577 L C 1.976 178.830 176.870 -0.026 0.000 1.085 577 L CA 0.569 55.368 54.840 -0.068 0.000 0.755 577 L CB -0.281 41.747 42.059 -0.052 0.000 0.904 577 L HN 0.318 nan 8.230 nan 0.000 0.435 578 L N -0.016 121.178 121.223 -0.047 0.000 2.083 578 L HA -0.238 4.096 4.340 -0.011 0.000 0.209 578 L C 2.008 178.872 176.870 -0.011 0.000 1.083 578 L CA 1.895 56.705 54.840 -0.050 0.000 0.752 578 L CB -0.772 41.158 42.059 -0.215 0.000 0.899 578 L HN 0.283 nan 8.230 nan 0.000 0.433 579 N N -1.764 116.915 118.700 -0.036 0.000 2.120 579 N HA -0.228 4.506 4.740 -0.011 0.000 0.188 579 N C 1.926 177.512 175.510 0.127 0.000 1.024 579 N CA 1.495 54.611 53.050 0.109 0.000 0.852 579 N CB -0.125 38.374 38.487 0.021 0.000 1.003 579 N HN 0.487 nan 8.380 nan 0.000 0.424 580 C N 0.515 119.827 119.300 0.020 0.000 2.429 580 C HA -0.055 4.398 4.460 -0.011 0.000 0.277 580 C C 2.573 177.562 174.990 -0.001 0.000 1.262 580 C CA 0.341 59.331 59.018 -0.047 0.000 1.733 580 C CB -1.222 26.435 27.740 -0.139 0.000 2.010 580 C HN 0.516 nan 8.230 nan 0.000 0.483 581 L N -0.279 121.002 121.223 0.096 0.000 2.083 581 L HA -0.206 4.128 4.340 -0.011 0.000 0.209 581 L C 2.747 179.783 176.870 0.278 0.000 1.083 581 L CA 1.807 56.758 54.840 0.185 0.000 0.752 581 L CB -1.030 41.211 42.059 0.302 0.000 0.899 581 L HN 0.602 nan 8.230 nan 0.000 0.433 582 H N -0.230 118.965 119.070 0.209 0.000 2.357 582 H HA -0.127 4.423 4.556 -0.011 0.000 0.301 582 H C 2.257 177.597 175.328 0.020 0.000 1.082 582 H CA 1.752 57.855 56.048 0.091 0.000 1.342 582 H CB 0.341 30.126 29.762 0.038 0.000 1.389 582 H HN 0.086 nan 8.280 nan 0.000 0.511 583 V N 1.467 121.303 119.914 -0.129 0.000 2.332 583 V HA -0.269 3.845 4.120 -0.011 0.000 0.248 583 V C 2.783 178.817 176.094 -0.099 0.000 1.055 583 V CA 1.876 64.062 62.300 -0.190 0.000 1.038 583 V CB -0.477 31.283 31.823 -0.106 0.000 0.651 583 V HN 0.383 nan 8.190 nan 0.000 0.450 584 I N -0.492 120.059 120.570 -0.032 0.000 2.315 584 I HA -0.207 3.956 4.170 -0.011 0.000 0.248 584 I C 2.493 178.680 176.117 0.117 0.000 1.117 584 I CA 1.618 62.970 61.300 0.087 0.000 1.404 584 I CB -0.590 37.436 38.000 0.043 0.000 1.071 584 I HN 0.302 nan 8.210 nan 0.000 0.419 585 T N 1.154 115.734 114.554 0.043 0.000 2.684 585 T HA -0.163 4.180 4.350 -0.011 0.000 0.267 585 T C 1.876 176.545 174.700 -0.051 0.000 1.036 585 T CA 1.282 63.399 62.100 0.028 0.000 1.148 585 T CB -0.258 68.651 68.868 0.068 0.000 0.863 585 T HN 0.074 nan 8.240 nan 0.000 0.436 586 L N 0.152 121.276 121.223 -0.164 0.000 2.012 586 L HA -0.062 4.271 4.340 -0.011 0.000 0.210 586 L C 2.095 178.933 176.870 -0.053 0.000 1.073 586 L CA 1.664 56.401 54.840 -0.171 0.000 0.748 586 L CB -1.047 40.838 42.059 -0.290 0.000 0.891 586 L HN 0.380 nan 8.230 nan 0.000 0.431 587 Y N 0.177 120.420 120.300 -0.096 0.000 2.128 587 Y HA -0.309 4.235 4.550 -0.011 0.000 0.284 587 Y C 2.452 178.336 175.900 -0.027 0.000 1.154 587 Y CA 1.911 59.992 58.100 -0.032 0.000 1.149 587 Y CB -0.122 38.365 38.460 0.046 0.000 0.976 587 Y HN 0.280 nan 8.280 nan 0.000 0.505 588 N N 0.449 119.092 118.700 -0.094 0.000 2.166 588 N HA -0.138 4.595 4.740 -0.011 0.000 0.186 588 N C 1.799 177.195 175.510 -0.190 0.000 1.019 588 N CA 1.488 54.421 53.050 -0.196 0.000 0.856 588 N CB -0.327 38.117 38.487 -0.072 0.000 0.993 588 N HN 0.450 nan 8.380 nan 0.000 0.426 589 R N 0.251 120.670 120.500 -0.135 0.000 2.092 589 R HA 0.105 4.439 4.340 -0.011 0.000 0.231 589 R C 2.183 178.400 176.300 -0.138 0.000 1.119 589 R CA 0.662 56.692 56.100 -0.117 0.000 0.970 589 R CB -0.194 30.050 30.300 -0.093 0.000 0.864 589 R HN 0.217 nan 8.270 nan 0.000 0.440 590 I N 0.921 121.389 120.570 -0.169 0.000 2.252 590 I HA -0.265 3.899 4.170 -0.011 0.000 0.245 590 I C 2.035 178.039 176.117 -0.187 0.000 1.102 590 I CA 1.196 62.398 61.300 -0.164 0.000 1.385 590 I CB -0.084 37.823 38.000 -0.155 0.000 1.064 590 I HN 0.022 nan 8.210 nan 0.000 0.414 591 K N 0.685 120.911 120.400 -0.290 0.000 2.148 591 K HA -0.197 4.116 4.320 -0.011 0.000 0.204 591 K C 2.026 178.529 176.600 -0.163 0.000 1.050 591 K CA 1.072 57.199 56.287 -0.265 0.000 0.942 591 K CB -0.277 31.982 32.500 -0.402 0.000 0.724 591 K HN 0.134 nan 8.250 nan 0.000 0.446 592 K N 1.951 122.262 120.400 -0.149 0.000 2.031 592 K HA -0.091 4.222 4.320 -0.011 0.000 0.205 592 K C 0.148 176.702 176.600 -0.077 0.000 1.049 592 K CA 1.322 57.547 56.287 -0.102 0.000 0.939 592 K CB 0.227 32.671 32.500 -0.094 0.000 0.717 592 K HN 0.107 nan 8.250 nan 0.000 0.438 593 E N 0.583 120.737 120.200 -0.076 0.000 2.795 593 E HA 0.175 4.519 4.350 -0.011 0.000 0.226 593 E C -2.326 174.240 176.600 -0.055 0.000 1.088 593 E CA -1.791 54.577 56.400 -0.054 0.000 0.812 593 E CB 1.557 31.232 29.700 -0.042 0.000 1.328 593 E HN 0.114 nan 8.360 nan 0.000 0.410 594 P HA -0.159 nan 4.420 nan 0.000 0.215 594 P C 0.320 177.605 177.300 -0.025 0.000 1.153 594 P CA 1.234 64.305 63.100 -0.047 0.000 0.853 594 P CB 0.167 31.843 31.700 -0.039 0.000 0.788 595 N N -0.995 117.699 118.700 -0.011 0.000 2.322 595 N HA 0.027 4.760 4.740 -0.011 0.000 0.216 595 N C 0.360 175.887 175.510 0.029 0.000 1.144 595 N CA 0.019 53.075 53.050 0.011 0.000 0.830 595 N CB -0.063 38.431 38.487 0.011 0.000 1.034 595 N HN 0.056 nan 8.380 nan 0.000 0.484 596 K N 1.014 121.425 120.400 0.018 0.000 2.159 596 K HA 0.175 4.489 4.320 -0.011 0.000 0.266 596 K C -0.987 175.650 176.600 0.063 0.000 0.975 596 K CA -0.647 55.666 56.287 0.042 0.000 0.865 596 K CB 0.742 33.247 32.500 0.008 0.000 1.087 596 K HN -0.029 nan 8.250 nan 0.000 0.446 597 F N 4.838 124.776 119.950 -0.019 0.000 2.456 597 F HA 0.214 4.735 4.527 -0.011 0.000 0.358 597 F C -0.448 175.340 175.800 -0.021 0.000 1.095 597 F CA -0.128 57.862 58.000 -0.017 0.000 1.216 597 F CB 0.620 39.612 39.000 -0.013 0.000 1.125 597 F HN 0.181 nan 8.300 nan 0.000 0.549 598 V N 4.270 123.597 119.914 -0.978 0.000 2.789 598 V HA 0.534 4.648 4.120 -0.011 0.000 0.311 598 V C -0.692 174.792 176.094 -1.018 0.000 1.073 598 V CA -1.234 60.629 62.300 -0.728 0.000 0.921 598 V CB 0.969 32.576 31.823 -0.361 0.000 1.009 598 V HN 0.566 nan 8.190 nan 0.000 0.426 599 V N 4.848 124.429 119.914 -0.555 0.000 2.493 599 V HA 0.189 4.302 4.120 -0.011 0.000 0.292 599 V C -1.804 174.130 176.094 -0.268 0.000 1.016 599 V CA -0.430 61.685 62.300 -0.307 0.000 1.097 599 V CB 0.454 32.221 31.823 -0.092 0.000 0.947 599 V HN 0.905 nan 8.190 nan 0.000 0.479 600 P HA 0.364 nan 4.420 nan 0.000 0.268 600 P C -0.474 176.744 177.300 -0.136 0.000 1.205 600 P CA -0.121 62.898 63.100 -0.136 0.000 0.771 600 P CB 0.560 32.228 31.700 -0.053 0.000 0.858 601 R N 0.754 121.184 120.500 -0.118 0.000 2.725 601 R HA 0.593 4.926 4.340 -0.011 0.000 0.277 601 R C -0.902 175.356 176.300 -0.070 0.000 0.987 601 R CA -0.577 55.453 56.100 -0.117 0.000 0.901 601 R CB 1.984 32.196 30.300 -0.147 0.000 1.207 601 R HN 0.282 nan 8.270 nan 0.000 0.463 602 T N 2.034 116.562 114.554 -0.045 0.000 2.912 602 T HA 0.193 4.537 4.350 -0.011 0.000 0.326 602 T C -0.829 173.780 174.700 -0.151 0.000 1.080 602 T CA -0.525 61.510 62.100 -0.107 0.000 1.000 602 T CB 1.041 69.795 68.868 -0.189 0.000 1.008 602 T HN 0.340 nan 8.240 nan 0.000 0.473 603 V N 5.162 124.996 119.914 -0.133 0.000 2.383 603 V HA 0.695 4.809 4.120 -0.011 0.000 0.275 603 V C -0.539 175.468 176.094 -0.144 0.000 1.036 603 V CA -0.636 61.588 62.300 -0.126 0.000 0.889 603 V CB 0.713 32.482 31.823 -0.089 0.000 0.985 603 V HN 0.847 nan 8.190 nan 0.000 0.459 604 M N 7.647 127.148 119.600 -0.165 0.000 2.167 604 M HA 0.598 5.071 4.480 -0.011 0.000 0.333 604 M C -0.917 175.270 176.300 -0.189 0.000 1.030 604 M CA -0.212 54.981 55.300 -0.178 0.000 0.963 604 M CB 1.919 34.404 32.600 -0.193 0.000 1.589 604 M HN 0.505 nan 8.290 nan 0.000 0.431 605 I N 2.041 122.490 120.570 -0.201 0.000 2.406 605 I HA 0.813 4.976 4.170 -0.011 0.000 0.290 605 I C 0.186 176.015 176.117 -0.480 0.000 0.999 605 I CA -0.623 60.543 61.300 -0.223 0.000 1.124 605 I CB 2.107 40.065 38.000 -0.069 0.000 1.289 605 I HN 0.807 nan 8.210 nan 0.000 0.441 606 G N 3.055 111.542 108.800 -0.521 0.000 2.660 606 G HA2 0.841 4.795 3.960 -0.011 0.000 0.294 606 G HA3 0.841 4.795 3.960 -0.011 0.000 0.294 606 G C -0.944 173.697 174.900 -0.431 0.000 1.369 606 G CA -0.832 43.831 45.100 -0.728 0.000 0.912 606 G HN 0.978 nan 8.290 nan 0.000 0.479 607 G N -0.425 108.265 108.800 -0.183 0.000 2.352 607 G HA2 0.409 4.362 3.960 -0.011 0.000 0.305 607 G HA3 0.409 4.362 3.960 -0.011 0.000 0.305 607 G C -1.421 173.615 174.900 0.226 0.000 1.537 607 G CA -1.015 44.129 45.100 0.074 0.000 0.959 607 G HN 0.605 nan 8.290 nan 0.000 0.668 608 K N -0.190 120.334 120.400 0.207 0.000 2.123 608 K HA 0.783 5.097 4.320 -0.011 0.000 0.259 608 K C 0.228 176.946 176.600 0.197 0.000 0.960 608 K CA -0.212 56.215 56.287 0.233 0.000 0.872 608 K CB 2.057 34.615 32.500 0.096 0.000 1.079 608 K HN 0.912 nan 8.250 nan 0.000 0.440 609 A N 1.442 124.402 122.820 0.235 0.000 2.324 609 A HA 0.682 4.996 4.320 -0.011 0.000 0.330 609 A C -0.556 177.171 177.584 0.239 0.000 1.165 609 A CA -0.729 51.378 52.037 0.116 0.000 0.813 609 A CB 1.086 20.078 19.000 -0.013 0.000 1.197 609 A HN 0.775 nan 8.150 nan 0.000 0.484 610 A N 3.279 126.221 122.820 0.202 0.000 2.511 610 A HA 0.485 4.798 4.320 -0.011 0.000 0.242 610 A C -1.419 176.236 177.584 0.119 0.000 1.069 610 A CA -0.860 51.307 52.037 0.216 0.000 0.763 610 A CB -0.363 18.724 19.000 0.145 0.000 1.001 610 A HN 0.591 nan 8.150 nan 0.000 0.498 611 P HA -0.157 nan 4.420 nan 0.000 0.217 611 P C 1.371 178.657 177.300 -0.024 0.000 1.148 611 P CA 2.039 65.083 63.100 -0.094 0.000 0.834 611 P CB 0.189 31.778 31.700 -0.186 0.000 0.783 612 G N -3.029 105.774 108.800 0.004 0.000 3.042 612 G HA2 -0.116 3.837 3.960 -0.011 0.000 0.212 612 G HA3 -0.116 3.837 3.960 -0.011 0.000 0.212 612 G C 0.009 174.935 174.900 0.044 0.000 1.166 612 G CA -0.162 44.941 45.100 0.004 0.000 0.767 612 G HN 0.307 nan 8.290 nan 0.000 0.546 613 Y N 1.996 122.230 120.300 -0.110 0.000 2.594 613 Y HA 0.123 4.666 4.550 -0.011 0.000 0.344 613 Y C 1.770 177.651 175.900 -0.031 0.000 1.185 613 Y CA -0.939 57.086 58.100 -0.125 0.000 1.565 613 Y CB -0.004 38.346 38.460 -0.184 0.000 1.415 613 Y HN 0.311 nan 8.280 nan 0.000 0.488 614 H N 3.729 122.920 119.070 0.201 0.000 2.289 614 H HA -0.239 4.311 4.556 -0.011 0.000 0.296 614 H C 1.885 177.247 175.328 0.055 0.000 1.091 614 H CA 2.300 58.410 56.048 0.104 0.000 1.274 614 H CB 0.343 30.159 29.762 0.090 0.000 1.364 614 H HN 0.697 nan 8.280 nan 0.000 0.490 615 M N 1.175 120.740 119.600 -0.058 0.000 2.080 615 M HA -0.112 4.362 4.480 -0.011 0.000 0.260 615 M C 2.609 178.644 176.300 -0.442 0.000 1.068 615 M CA 1.975 57.150 55.300 -0.209 0.000 1.109 615 M CB -0.952 31.684 32.600 0.061 0.000 1.342 615 M HN 0.358 nan 8.290 nan 0.000 0.405 616 A N -0.518 121.768 122.820 -0.890 0.000 1.978 616 A HA -0.209 4.104 4.320 -0.011 0.000 0.220 616 A C 2.180 179.529 177.584 -0.392 0.000 1.170 616 A CA 1.948 53.487 52.037 -0.830 0.000 0.636 616 A CB -0.697 17.553 19.000 -1.250 0.000 0.810 616 A HN 0.621 nan 8.150 nan 0.000 0.448 617 K N -1.318 118.917 120.400 -0.275 0.000 2.228 617 K HA 0.041 4.355 4.320 -0.011 0.000 0.202 617 K C 1.761 178.305 176.600 -0.092 0.000 1.051 617 K CA 0.841 57.062 56.287 -0.110 0.000 0.960 617 K CB -0.138 32.367 32.500 0.008 0.000 0.743 617 K HN 0.325 nan 8.250 nan 0.000 0.458 618 M N 0.574 120.066 119.600 -0.181 0.000 2.200 618 M HA -0.030 4.443 4.480 -0.011 0.000 0.265 618 M C 2.024 178.252 176.300 -0.120 0.000 1.066 618 M CA 1.338 56.573 55.300 -0.109 0.000 1.127 618 M CB -0.467 32.035 32.600 -0.163 0.000 1.379 618 M HN 0.100 nan 8.290 nan 0.000 0.420 619 I N -0.470 119.988 120.570 -0.185 0.000 2.315 619 I HA -0.282 3.882 4.170 -0.011 0.000 0.248 619 I C 2.226 178.199 176.117 -0.240 0.000 1.117 619 I CA 0.952 62.131 61.300 -0.201 0.000 1.404 619 I CB -0.293 37.587 38.000 -0.199 0.000 1.071 619 I HN 0.164 nan 8.210 nan 0.000 0.419 620 I N 0.712 121.118 120.570 -0.273 0.000 2.315 620 I HA -0.276 3.887 4.170 -0.011 0.000 0.248 620 I C 2.552 178.369 176.117 -0.501 0.000 1.117 620 I CA 1.155 62.195 61.300 -0.434 0.000 1.404 620 I CB -0.203 37.524 38.000 -0.455 0.000 1.071 620 I HN 0.140 nan 8.210 nan 0.000 0.419 621 K N 1.391 121.522 120.400 -0.449 0.000 2.148 621 K HA -0.111 4.203 4.320 -0.011 0.000 0.204 621 K C 1.989 178.424 176.600 -0.275 0.000 1.050 621 K CA 1.308 57.263 56.287 -0.554 0.000 0.942 621 K CB -0.398 31.529 32.500 -0.954 0.000 0.724 621 K HN 0.223 nan 8.250 nan 0.000 0.446 622 L N 0.348 121.421 121.223 -0.250 0.000 2.027 622 L HA -0.125 4.209 4.340 -0.011 0.000 0.206 622 L C 2.101 178.725 176.870 -0.410 0.000 1.074 622 L CA 1.550 56.081 54.840 -0.515 0.000 0.745 622 L CB -0.286 41.398 42.059 -0.625 0.000 0.898 622 L HN 0.238 nan 8.230 nan 0.000 0.433 623 I N 0.019 120.400 120.570 -0.315 0.000 2.127 623 I HA -0.353 3.810 4.170 -0.011 0.000 0.241 623 I C 2.617 178.621 176.117 -0.188 0.000 1.075 623 I CA 2.042 63.211 61.300 -0.219 0.000 1.334 623 I CB -0.716 37.223 38.000 -0.101 0.000 1.040 623 I HN 0.427 nan 8.210 nan 0.000 0.405 624 T N -0.841 113.573 114.554 -0.234 0.000 2.915 624 T HA -0.049 4.295 4.350 -0.011 0.000 0.269 624 T C 1.916 176.547 174.700 -0.115 0.000 1.071 624 T CA 0.935 62.932 62.100 -0.171 0.000 1.132 624 T CB -0.370 68.350 68.868 -0.246 0.000 0.878 624 T HN 0.359 nan 8.240 nan 0.000 0.479 625 A N 1.302 124.048 122.820 -0.124 0.000 1.929 625 A HA 0.210 4.524 4.320 -0.011 0.000 0.216 625 A C 2.328 179.927 177.584 0.025 0.000 1.176 625 A CA 1.031 53.064 52.037 -0.007 0.000 0.628 625 A CB -0.715 18.353 19.000 0.113 0.000 0.816 625 A HN 0.565 nan 8.150 nan 0.000 0.444 626 I N -0.234 120.249 120.570 -0.144 0.000 2.202 626 I HA -0.180 3.983 4.170 -0.011 0.000 0.242 626 I C 2.707 178.790 176.117 -0.057 0.000 1.091 626 I CA 1.181 62.390 61.300 -0.150 0.000 1.368 626 I CB -0.541 37.249 38.000 -0.349 0.000 1.058 626 I HN 0.377 nan 8.210 nan 0.000 0.410 627 G N 0.204 108.953 108.800 -0.085 0.000 2.442 627 G HA2 -0.265 3.689 3.960 -0.011 0.000 0.219 627 G HA3 -0.265 3.689 3.960 -0.011 0.000 0.219 627 G C 1.274 176.134 174.900 -0.067 0.000 1.141 627 G CA 0.987 46.037 45.100 -0.085 0.000 0.763 627 G HN 0.278 nan 8.290 nan 0.000 0.554 628 D N 0.030 120.439 120.400 0.014 0.000 2.117 628 D HA -0.084 4.550 4.640 -0.011 0.000 0.197 628 D C 2.757 179.141 176.300 0.139 0.000 0.987 628 D CA 0.745 54.821 54.000 0.127 0.000 0.829 628 D CB -0.275 40.579 40.800 0.090 0.000 0.961 628 D HN 0.230 nan 8.370 nan 0.000 0.460 629 V N 0.295 120.222 119.914 0.021 0.000 2.255 629 V HA -0.165 3.949 4.120 -0.011 0.000 0.243 629 V C 2.647 178.660 176.094 -0.135 0.000 1.038 629 V CA 0.926 63.173 62.300 -0.088 0.000 1.008 629 V CB -0.479 31.223 31.823 -0.202 0.000 0.645 629 V HN 0.028 nan 8.190 nan 0.000 0.449 630 V N 0.929 120.703 119.914 -0.234 0.000 2.332 630 V HA -0.236 3.878 4.120 -0.011 0.000 0.248 630 V C 2.154 178.177 176.094 -0.118 0.000 1.055 630 V CA 2.144 64.308 62.300 -0.227 0.000 1.038 630 V CB -0.931 30.760 31.823 -0.221 0.000 0.651 630 V HN 0.567 nan 8.190 nan 0.000 0.450 631 N N -0.459 118.101 118.700 -0.234 0.000 2.512 631 N HA -0.082 4.651 4.740 -0.011 0.000 0.183 631 N C 1.224 176.439 175.510 -0.492 0.000 1.073 631 N CA 0.911 53.736 53.050 -0.375 0.000 0.911 631 N CB -0.274 37.905 38.487 -0.512 0.000 0.964 631 N HN 0.709 nan 8.380 nan 0.000 0.447 632 H N -1.721 117.354 119.070 0.008 0.000 2.784 632 H HA 0.200 4.750 4.556 -0.011 0.000 0.273 632 H C -0.488 174.858 175.328 0.030 0.000 1.112 632 H CA -0.498 55.557 56.048 0.013 0.000 1.162 632 H CB 0.712 30.471 29.762 -0.005 0.000 1.586 632 H HN -0.025 nan 8.280 nan 0.000 0.548 633 D N 1.900 122.373 120.400 0.121 0.000 2.325 633 D HA 0.035 4.669 4.640 -0.011 0.000 0.251 633 D C -1.620 174.743 176.300 0.105 0.000 1.196 633 D CA -2.026 52.060 54.000 0.144 0.000 0.866 633 D CB 1.662 42.622 40.800 0.265 0.000 1.101 633 D HN 0.116 nan 8.370 nan 0.000 0.476 634 P HA -0.110 nan 4.420 nan 0.000 0.218 634 P C 1.571 178.898 177.300 0.045 0.000 1.149 634 P CA 0.319 63.453 63.100 0.057 0.000 0.817 634 P CB 0.434 32.162 31.700 0.046 0.000 0.785 635 V N -0.594 119.346 119.914 0.043 0.000 2.626 635 V HA -0.152 3.962 4.120 -0.011 0.000 0.252 635 V C 2.408 178.511 176.094 0.016 0.000 1.067 635 V CA 1.420 63.732 62.300 0.019 0.000 1.081 635 V CB -0.881 30.942 31.823 -0.001 0.000 0.686 635 V HN -0.017 nan 8.190 nan 0.000 0.468 636 V N -0.259 119.682 119.914 0.044 0.000 2.453 636 V HA 0.111 4.225 4.120 -0.011 0.000 0.247 636 V C 1.779 177.888 176.094 0.025 0.000 1.048 636 V CA 1.392 63.718 62.300 0.043 0.000 1.049 636 V CB -1.074 30.818 31.823 0.114 0.000 0.672 636 V HN 0.723 nan 8.190 nan 0.000 0.457 637 G N 1.553 110.372 108.800 0.033 0.000 2.574 637 G HA2 -0.407 3.546 3.960 -0.011 0.000 0.286 637 G HA3 -0.407 3.546 3.960 -0.011 0.000 0.286 637 G C 0.248 175.164 174.900 0.026 0.000 1.212 637 G CA 0.604 45.722 45.100 0.029 0.000 0.979 637 G HN 0.731 nan 8.290 nan 0.000 0.557 638 D N -0.201 120.215 120.400 0.028 0.000 2.358 638 D HA 0.334 4.967 4.640 -0.011 0.000 0.224 638 D C 1.830 178.132 176.300 0.004 0.000 1.123 638 D CA 0.180 54.198 54.000 0.030 0.000 0.833 638 D CB 0.146 40.980 40.800 0.058 0.000 0.946 638 D HN 0.557 nan 8.370 nan 0.000 0.505 639 R N -0.641 119.849 120.500 -0.018 0.000 2.240 639 R HA 0.298 4.632 4.340 -0.011 0.000 0.203 639 R C -0.222 176.039 176.300 -0.065 0.000 1.011 639 R CA 0.249 56.313 56.100 -0.061 0.000 1.007 639 R CB 0.220 30.463 30.300 -0.094 0.000 0.911 639 R HN 0.172 nan 8.270 nan 0.000 0.468 640 L N 0.513 121.714 121.223 -0.037 0.000 2.562 640 L HA 0.402 4.736 4.340 -0.011 0.000 0.266 640 L C -1.716 175.129 176.870 -0.041 0.000 0.949 640 L CA -0.557 54.257 54.840 -0.042 0.000 0.879 640 L CB 1.710 43.755 42.059 -0.023 0.000 1.278 640 L HN -0.157 nan 8.230 nan 0.000 0.404 641 R N 3.903 124.364 120.500 -0.065 0.000 2.621 641 R HA 0.737 5.070 4.340 -0.011 0.000 0.292 641 R C -1.513 174.728 176.300 -0.098 0.000 0.969 641 R CA -0.799 55.251 56.100 -0.083 0.000 0.887 641 R CB 2.314 32.564 30.300 -0.084 0.000 1.180 641 R HN 0.382 nan 8.270 nan 0.000 0.450 642 V N 5.076 124.929 119.914 -0.101 0.000 2.334 642 V HA 0.458 4.572 4.120 -0.011 0.000 0.281 642 V C -0.046 176.001 176.094 -0.079 0.000 1.016 642 V CA -0.613 61.630 62.300 -0.095 0.000 0.832 642 V CB 1.394 33.159 31.823 -0.098 0.000 0.999 642 V HN 0.551 nan 8.190 nan 0.000 0.439 643 I N 4.788 125.310 120.570 -0.081 0.000 2.474 643 I HA 0.455 4.619 4.170 -0.011 0.000 0.294 643 I C -0.701 175.395 176.117 -0.036 0.000 1.005 643 I CA -0.398 60.866 61.300 -0.060 0.000 1.113 643 I CB 1.995 39.933 38.000 -0.104 0.000 1.289 643 I HN 0.555 nan 8.210 nan 0.000 0.436 644 F N 7.322 127.204 119.950 -0.113 0.000 2.391 644 F HA 0.462 4.983 4.527 -0.010 0.000 0.359 644 F C -0.733 174.996 175.800 -0.117 0.000 1.122 644 F CA -0.750 57.184 58.000 -0.110 0.000 1.120 644 F CB 0.679 39.619 39.000 -0.099 0.000 1.142 644 F HN 0.130 nan 8.300 nan 0.000 0.483 645 L N 6.103 126.829 121.223 -0.828 0.000 2.363 645 L HA 0.172 4.506 4.340 -0.011 0.000 0.286 645 L C 0.334 176.846 176.870 -0.596 0.000 1.106 645 L CA 0.096 54.597 54.840 -0.565 0.000 0.859 645 L CB -0.000 41.844 42.059 -0.359 0.000 1.223 645 L HN 0.624 nan 8.230 nan 0.000 0.446 646 E N 2.989 122.997 120.200 -0.321 0.000 2.392 646 E HA -0.048 4.295 4.350 -0.011 0.000 0.264 646 E C 0.473 177.113 176.600 0.067 0.000 1.024 646 E CA -0.152 56.237 56.400 -0.019 0.000 0.903 646 E CB 0.290 30.000 29.700 0.017 0.000 0.963 646 E HN 0.509 nan 8.360 nan 0.000 0.432 647 N N 2.514 121.324 118.700 0.184 0.000 2.705 647 N HA -0.286 4.447 4.740 -0.011 0.000 0.255 647 N C -1.566 174.036 175.510 0.154 0.000 1.008 647 N CA 0.538 53.698 53.050 0.183 0.000 0.742 647 N CB -1.314 37.300 38.487 0.212 0.000 0.906 647 N HN 0.426 nan 8.380 nan 0.000 0.541 648 Y N 1.571 121.874 120.300 0.004 0.000 2.632 648 Y HA 0.212 4.755 4.550 -0.011 0.000 0.329 648 Y C 1.080 176.995 175.900 0.026 0.000 1.174 648 Y CA 0.291 58.381 58.100 -0.017 0.000 1.469 648 Y CB 0.304 38.725 38.460 -0.066 0.000 1.242 648 Y HN 0.369 nan 8.280 nan 0.000 0.540 649 R N 2.561 122.735 120.500 -0.543 0.000 2.781 649 R HA 0.489 4.823 4.340 -0.011 0.000 0.268 649 R C -0.191 175.766 176.300 -0.571 0.000 1.047 649 R CA -0.712 55.119 56.100 -0.448 0.000 0.925 649 R CB 0.414 30.642 30.300 -0.121 0.000 1.246 649 R HN 0.353 nan 8.270 nan 0.000 0.456 650 V N 1.064 120.669 119.914 -0.516 0.000 2.252 650 V HA -0.312 3.802 4.120 -0.011 0.000 0.249 650 V C 2.576 178.547 176.094 -0.205 0.000 1.056 650 V CA 2.918 64.991 62.300 -0.379 0.000 1.022 650 V CB -0.791 30.765 31.823 -0.446 0.000 0.641 650 V HN 0.959 nan 8.190 nan 0.000 0.445 651 S N -0.082 115.515 115.700 -0.172 0.000 2.399 651 S HA -0.171 4.292 4.470 -0.011 0.000 0.231 651 S C 1.902 176.462 174.600 -0.067 0.000 1.022 651 S CA 1.696 59.832 58.200 -0.107 0.000 0.983 651 S CB -0.479 62.687 63.200 -0.058 0.000 0.803 651 S HN 0.406 nan 8.310 nan 0.000 0.480 652 L N 1.827 123.011 121.223 -0.066 0.000 2.179 652 L HA 0.391 4.725 4.340 -0.011 0.000 0.208 652 L C 2.598 179.477 176.870 0.014 0.000 1.096 652 L CA 1.330 56.172 54.840 0.003 0.000 0.779 652 L CB -1.275 40.834 42.059 0.083 0.000 0.922 652 L HN 0.336 nan 8.230 nan 0.000 0.443 653 A N -0.650 122.152 122.820 -0.031 0.000 1.933 653 A HA -0.209 4.104 4.320 -0.011 0.000 0.218 653 A C 2.105 179.740 177.584 0.086 0.000 1.175 653 A CA 1.683 53.772 52.037 0.087 0.000 0.628 653 A CB -0.581 18.444 19.000 0.041 0.000 0.814 653 A HN 0.596 nan 8.150 nan 0.000 0.444 654 E N -0.452 119.799 120.200 0.085 0.000 2.338 654 E HA -0.139 4.204 4.350 -0.011 0.000 0.197 654 E C 1.770 178.352 176.600 -0.030 0.000 1.007 654 E CA 1.034 57.460 56.400 0.044 0.000 0.849 654 E CB -0.016 29.629 29.700 -0.092 0.000 0.774 654 E HN 0.620 nan 8.360 nan 0.000 0.506 655 K N -0.147 120.212 120.400 -0.068 0.000 2.214 655 K HA -0.007 4.306 4.320 -0.011 0.000 0.201 655 K C 2.156 178.582 176.600 -0.291 0.000 1.049 655 K CA 0.795 57.025 56.287 -0.096 0.000 0.978 655 K CB 0.390 32.828 32.500 -0.103 0.000 0.842 655 K HN -0.014 nan 8.250 nan 0.000 0.474 656 V N 1.027 120.673 119.914 -0.448 0.000 2.323 656 V HA -0.169 3.945 4.120 -0.011 0.000 0.244 656 V C 2.218 178.057 176.094 -0.425 0.000 1.041 656 V CA 1.235 63.063 62.300 -0.787 0.000 1.025 656 V CB -0.764 30.744 31.823 -0.526 0.000 0.656 656 V HN 0.175 nan 8.190 nan 0.000 0.451 657 I N 1.023 121.384 120.570 -0.348 0.000 2.113 657 I HA -0.180 3.984 4.170 -0.011 0.000 0.242 657 I C -0.115 175.873 176.117 -0.215 0.000 1.064 657 I CA 2.018 63.041 61.300 -0.463 0.000 1.320 657 I CB -1.717 35.909 38.000 -0.624 0.000 1.028 657 I HN 0.367 nan 8.210 nan 0.000 0.406 658 P HA -0.080 nan 4.420 nan 0.000 0.228 658 P C 0.785 178.076 177.300 -0.015 0.000 1.151 658 P CA 1.146 64.219 63.100 -0.046 0.000 0.770 658 P CB 0.042 31.729 31.700 -0.022 0.000 0.786 659 A N -1.299 121.495 122.820 -0.044 0.000 2.303 659 A HA 0.538 4.852 4.320 -0.011 0.000 0.217 659 A C 1.171 178.842 177.584 0.145 0.000 1.205 659 A CA 0.083 52.143 52.037 0.037 0.000 0.875 659 A CB -0.429 18.593 19.000 0.037 0.000 0.910 659 A HN 0.196 nan 8.150 nan 0.000 0.501 660 A N -0.149 122.757 122.820 0.145 0.000 2.322 660 A HA 0.494 4.807 4.320 -0.011 0.000 0.269 660 A C 0.321 178.040 177.584 0.226 0.000 1.094 660 A CA -0.069 52.119 52.037 0.252 0.000 0.807 660 A CB 0.375 19.620 19.000 0.408 0.000 1.047 660 A HN 0.247 nan 8.150 nan 0.000 0.487 661 D N 0.066 120.594 120.400 0.213 0.000 2.525 661 D HA 0.145 4.778 4.640 -0.011 0.000 0.248 661 D C -0.080 176.387 176.300 0.278 0.000 1.000 661 D CA 0.618 54.784 54.000 0.278 0.000 0.923 661 D CB 0.321 41.225 40.800 0.174 0.000 1.101 661 D HN 0.342 nan 8.370 nan 0.000 0.493 662 L N 1.377 122.656 121.223 0.094 0.000 2.349 662 L HA 0.291 4.624 4.340 -0.011 0.000 0.278 662 L C -0.701 176.010 176.870 -0.266 0.000 0.996 662 L CA -0.285 54.527 54.840 -0.047 0.000 0.825 662 L CB 2.003 44.013 42.059 -0.081 0.000 1.243 662 L HN -0.158 nan 8.230 nan 0.000 0.412 663 S N 4.481 119.923 115.700 -0.430 0.000 2.429 663 S HA 0.327 4.790 4.470 -0.011 0.000 0.302 663 S C -0.366 173.931 174.600 -0.505 0.000 1.115 663 S CA -0.690 56.992 58.200 -0.865 0.000 1.095 663 S CB 0.723 63.269 63.200 -1.090 0.000 0.987 663 S HN 0.554 nan 8.310 nan 0.000 0.474 664 E N 4.091 124.027 120.200 -0.439 0.000 2.089 664 E HA 0.206 4.550 4.350 -0.011 0.000 0.284 664 E C -0.503 175.993 176.600 -0.173 0.000 1.023 664 E CA -0.411 55.861 56.400 -0.212 0.000 0.819 664 E CB 0.995 30.605 29.700 -0.150 0.000 1.076 664 E HN 0.618 nan 8.360 nan 0.000 0.396 665 Q N 2.877 122.629 119.800 -0.079 0.000 3.075 665 Q HA 0.235 4.569 4.340 -0.011 0.000 0.318 665 Q C 0.646 176.646 176.000 0.001 0.000 0.907 665 Q CA -0.116 55.657 55.803 -0.051 0.000 0.882 665 Q CB 0.263 28.980 28.738 -0.034 0.000 1.386 665 Q HN 0.623 nan 8.270 nan 0.000 0.408 666 I N -1.436 119.130 120.570 -0.006 0.000 3.801 666 I HA 0.243 4.406 4.170 -0.011 0.000 0.338 666 I C 0.317 176.399 176.117 -0.058 0.000 1.513 666 I CA -0.486 60.825 61.300 0.019 0.000 1.197 666 I CB -0.017 38.004 38.000 0.036 0.000 1.300 666 I HN -0.035 nan 8.210 nan 0.000 0.433 667 S N 0.572 116.234 115.700 -0.064 0.000 2.593 667 S HA 0.223 4.686 4.470 -0.011 0.000 0.269 667 S C 0.535 175.123 174.600 -0.020 0.000 1.334 667 S CA -0.333 57.843 58.200 -0.040 0.000 1.015 667 S CB 0.610 63.833 63.200 0.038 0.000 0.912 667 S HN 0.416 nan 8.310 nan 0.000 0.541 668 T N 2.498 117.073 114.554 0.034 0.000 2.888 668 T HA 0.413 4.756 4.350 -0.011 0.000 0.301 668 T C 0.712 175.423 174.700 0.019 0.000 1.001 668 T CA 0.202 62.325 62.100 0.039 0.000 1.147 668 T CB 0.085 69.041 68.868 0.147 0.000 0.931 668 T HN 0.994 nan 8.240 nan 0.000 0.541 669 A N 2.662 125.462 122.820 -0.034 0.000 2.580 669 A HA 0.442 4.756 4.320 -0.011 0.000 0.244 669 A C 1.665 179.242 177.584 -0.012 0.000 1.045 669 A CA 0.363 52.377 52.037 -0.039 0.000 0.761 669 A CB -0.911 18.052 19.000 -0.061 0.000 0.962 669 A HN 1.650 nan 8.150 nan 0.000 0.512 670 G N 1.333 110.126 108.800 -0.012 0.000 2.213 670 G HA2 -0.274 3.680 3.960 -0.011 0.000 0.236 670 G HA3 -0.274 3.680 3.960 -0.011 0.000 0.236 670 G C 1.066 175.954 174.900 -0.019 0.000 0.991 670 G CA 1.131 46.225 45.100 -0.011 0.000 0.629 670 G HN 2.009 nan 8.290 nan 0.000 0.517 671 T N -1.932 112.611 114.554 -0.018 0.000 3.039 671 T HA 0.358 4.702 4.350 -0.011 0.000 0.250 671 T C 0.880 175.439 174.700 -0.235 0.000 1.052 671 T CA 1.260 63.282 62.100 -0.129 0.000 1.125 671 T CB 0.403 69.226 68.868 -0.075 0.000 0.908 671 T HN 0.334 nan 8.240 nan 0.000 0.473 672 E N 1.409 121.601 120.200 -0.014 0.000 1.996 672 E HA 0.640 4.984 4.350 -0.011 0.000 0.280 672 E C 1.248 177.817 176.600 -0.051 0.000 1.092 672 E CA 0.102 56.538 56.400 0.060 0.000 0.862 672 E CB 0.574 30.370 29.700 0.161 0.000 1.066 672 E HN 0.353 nan 8.360 nan 0.000 0.396 673 A N 3.408 126.125 122.820 -0.172 0.000 1.940 673 A HA -0.280 4.034 4.320 -0.011 0.000 0.221 673 A C 1.979 179.462 177.584 -0.169 0.000 1.190 673 A CA 2.438 54.260 52.037 -0.358 0.000 0.647 673 A CB -0.305 18.252 19.000 -0.739 0.000 0.821 673 A HN 0.621 nan 8.150 nan 0.000 0.457 674 S N -4.536 111.115 115.700 -0.081 0.000 4.772 674 S HA 0.450 4.914 4.470 -0.011 0.000 0.177 674 S C 0.615 175.215 174.600 0.000 0.000 1.117 674 S CA 1.323 59.514 58.200 -0.014 0.000 1.250 674 S CB -0.144 63.064 63.200 0.014 0.000 1.749 674 S HN 2.371 nan 8.310 nan 0.000 0.589 675 G N 0.201 109.008 108.800 0.012 0.000 2.692 675 G HA2 0.010 3.963 3.960 -0.011 0.000 0.686 675 G HA3 0.010 3.963 3.960 -0.011 0.000 0.686 675 G C 0.197 175.093 174.900 -0.007 0.000 1.243 675 G CA 0.482 45.587 45.100 0.010 0.000 0.782 675 G HN 1.356 nan 8.290 nan 0.000 0.625 676 T N -2.159 112.378 114.554 -0.029 0.000 3.029 676 T HA 0.379 4.722 4.350 -0.011 0.000 0.256 676 T C 2.326 176.940 174.700 -0.143 0.000 0.914 676 T CA 1.216 63.271 62.100 -0.074 0.000 0.880 676 T CB 0.384 69.205 68.868 -0.078 0.000 1.246 676 T HN 1.854 nan 8.240 nan 0.000 0.523 677 G N 3.127 111.868 108.800 -0.099 0.000 2.422 677 G HA2 -0.244 3.709 3.960 -0.011 0.000 0.218 677 G HA3 -0.244 3.709 3.960 -0.011 0.000 0.218 677 G C 1.440 176.381 174.900 0.069 0.000 1.146 677 G CA 1.149 46.199 45.100 -0.083 0.000 0.769 677 G HN 0.808 nan 8.290 nan 0.000 0.547 678 N N 0.363 119.093 118.700 0.050 0.000 2.061 678 N HA -0.178 4.555 4.740 -0.011 0.000 0.193 678 N C 2.229 177.748 175.510 0.015 0.000 1.030 678 N CA 1.498 54.582 53.050 0.056 0.000 0.856 678 N CB -0.409 38.067 38.487 -0.019 0.000 1.023 678 N HN 0.345 nan 8.380 nan 0.000 0.424 679 M N 0.752 120.292 119.600 -0.099 0.000 2.159 679 M HA -0.045 4.429 4.480 -0.011 0.000 0.263 679 M C 2.049 178.298 176.300 -0.086 0.000 1.063 679 M CA 1.466 56.687 55.300 -0.131 0.000 1.110 679 M CB -0.172 32.357 32.600 -0.117 0.000 1.374 679 M HN 0.110 nan 8.290 nan 0.000 0.411 680 K N 0.139 120.421 120.400 -0.197 0.000 2.063 680 K HA -0.120 4.193 4.320 -0.011 0.000 0.208 680 K C 1.710 178.186 176.600 -0.207 0.000 1.048 680 K CA 1.458 57.547 56.287 -0.330 0.000 0.928 680 K CB -0.256 31.817 32.500 -0.712 0.000 0.713 680 K HN 0.149 nan 8.250 nan 0.000 0.442 681 F N 0.964 120.832 119.950 -0.137 0.000 2.146 681 F HA -0.130 4.390 4.527 -0.012 0.000 0.298 681 F C 2.520 178.285 175.800 -0.058 0.000 1.096 681 F CA 1.211 59.156 58.000 -0.091 0.000 1.275 681 F CB -0.290 38.648 39.000 -0.104 0.000 1.008 681 F HN 0.008 nan 8.300 nan 0.000 0.480 682 M N -0.520 119.163 119.600 0.138 0.000 2.213 682 M HA -0.185 4.289 4.480 -0.011 0.000 0.263 682 M C 1.996 178.346 176.300 0.084 0.000 1.062 682 M CA 1.523 56.875 55.300 0.085 0.000 1.105 682 M CB -0.176 32.467 32.600 0.071 0.000 1.385 682 M HN 0.268 nan 8.290 nan 0.000 0.417 683 L N 0.694 121.963 121.223 0.077 0.000 2.313 683 L HA -0.025 4.309 4.340 -0.011 0.000 0.214 683 L C 1.296 178.208 176.870 0.069 0.000 1.119 683 L CA 1.517 56.409 54.840 0.086 0.000 0.809 683 L CB -0.528 41.589 42.059 0.097 0.000 0.933 683 L HN 0.331 nan 8.230 nan 0.000 0.449 684 N N -0.100 118.631 118.700 0.052 0.000 2.251 684 N HA 0.166 4.899 4.740 -0.011 0.000 0.217 684 N C 0.784 176.326 175.510 0.054 0.000 1.124 684 N CA 0.777 53.852 53.050 0.042 0.000 0.843 684 N CB 0.503 38.991 38.487 0.002 0.000 1.024 684 N HN 0.400 nan 8.380 nan 0.000 0.501 685 G N 0.528 109.364 108.800 0.060 0.000 2.149 685 G HA2 -0.198 3.755 3.960 -0.011 0.000 0.235 685 G HA3 -0.198 3.755 3.960 -0.011 0.000 0.235 685 G C -0.035 174.923 174.900 0.097 0.000 1.018 685 G CA 0.162 45.297 45.100 0.059 0.000 0.728 685 G HN 0.521 nan 8.290 nan 0.000 0.508 686 A N -0.584 122.302 122.820 0.108 0.000 2.337 686 A HA 0.899 5.212 4.320 -0.011 0.000 0.331 686 A C -0.209 177.364 177.584 -0.019 0.000 1.137 686 A CA -0.679 51.432 52.037 0.123 0.000 0.807 686 A CB 1.455 20.594 19.000 0.232 0.000 1.250 686 A HN 0.763 nan 8.150 nan 0.000 0.468 687 L N 0.743 121.913 121.223 -0.087 0.000 2.360 687 L HA 0.580 4.914 4.340 -0.011 0.000 0.271 687 L C 0.492 177.216 176.870 -0.244 0.000 1.057 687 L CA 0.418 55.114 54.840 -0.240 0.000 0.803 687 L CB 1.645 43.472 42.059 -0.386 0.000 1.207 687 L HN 0.746 nan 8.230 nan 0.000 0.445 688 T N 3.952 118.244 114.554 -0.436 0.000 2.794 688 T HA 0.530 4.873 4.350 -0.011 0.000 0.280 688 T C -0.312 174.221 174.700 -0.280 0.000 0.987 688 T CA -0.184 61.629 62.100 -0.478 0.000 0.993 688 T CB 0.994 69.391 68.868 -0.785 0.000 0.939 688 T HN 0.447 nan 8.240 nan 0.000 0.449 689 I N 2.934 123.438 120.570 -0.110 0.000 2.355 689 I HA 0.715 4.879 4.170 -0.011 0.000 0.288 689 I C 0.046 176.301 176.117 0.230 0.000 0.999 689 I CA 0.035 61.391 61.300 0.092 0.000 1.163 689 I CB 0.283 38.260 38.000 -0.038 0.000 1.316 689 I HN 0.799 nan 8.210 nan 0.000 0.454 690 G N 4.032 113.052 108.800 0.367 0.000 2.606 690 G HA2 0.476 4.430 3.960 -0.011 0.000 0.300 690 G HA3 0.476 4.430 3.960 -0.011 0.000 0.300 690 G C -0.954 173.888 174.900 -0.096 0.000 1.360 690 G CA -0.291 44.963 45.100 0.257 0.000 0.783 690 G HN 0.550 nan 8.290 nan 0.000 0.484 691 T N -1.776 112.598 114.554 -0.300 0.000 2.927 691 T HA 0.547 4.891 4.350 -0.011 0.000 0.281 691 T C 0.614 175.207 174.700 -0.179 0.000 0.998 691 T CA -0.726 61.111 62.100 -0.439 0.000 1.019 691 T CB 1.309 69.915 68.868 -0.437 0.000 1.061 691 T HN 0.260 nan 8.240 nan 0.000 0.518 692 M N 2.959 122.462 119.600 -0.162 0.000 3.254 692 M HA 0.317 4.790 4.480 -0.011 0.000 0.257 692 M C -0.491 175.761 176.300 -0.079 0.000 1.490 692 M CA 0.062 55.303 55.300 -0.098 0.000 1.620 692 M CB -1.834 30.714 32.600 -0.086 0.000 1.157 692 M HN 0.741 nan 8.290 nan 0.000 0.541 693 D N 0.048 120.410 120.400 -0.064 0.000 2.732 693 D HA 0.669 5.302 4.640 -0.011 0.000 0.229 693 D C 0.702 176.988 176.300 -0.023 0.000 1.152 693 D CA 0.742 54.718 54.000 -0.040 0.000 0.854 693 D CB 1.699 42.477 40.800 -0.036 0.000 1.590 693 D HN 0.601 nan 8.370 nan 0.000 0.468 694 G N 1.760 110.555 108.800 -0.008 0.000 2.652 694 G HA2 -0.271 3.682 3.960 -0.011 0.000 0.318 694 G HA3 -0.271 3.682 3.960 -0.011 0.000 0.318 694 G C 1.084 175.984 174.900 0.000 0.000 1.295 694 G CA 1.234 46.335 45.100 0.001 0.000 0.999 694 G HN 1.076 nan 8.290 nan 0.000 0.548 695 A N -0.417 122.400 122.820 -0.005 0.000 2.168 695 A HA 0.082 4.395 4.320 -0.011 0.000 0.215 695 A C 2.125 179.658 177.584 -0.085 0.000 1.152 695 A CA 1.904 53.934 52.037 -0.012 0.000 0.716 695 A CB -0.466 18.518 19.000 -0.027 0.000 0.794 695 A HN 0.636 nan 8.150 nan 0.000 0.465 696 N N 0.528 119.184 118.700 -0.073 0.000 2.132 696 N HA -0.164 4.569 4.740 -0.011 0.000 0.191 696 N C 1.583 176.976 175.510 -0.196 0.000 1.015 696 N CA 1.659 54.661 53.050 -0.080 0.000 0.864 696 N CB -0.599 37.889 38.487 0.001 0.000 1.006 696 N HN 0.291 nan 8.380 nan 0.000 0.430 697 V N 1.098 120.937 119.914 -0.125 0.000 2.295 697 V HA -0.204 3.909 4.120 -0.011 0.000 0.246 697 V C 1.913 177.932 176.094 -0.126 0.000 1.049 697 V CA 1.670 63.892 62.300 -0.131 0.000 1.024 697 V CB -0.491 31.291 31.823 -0.069 0.000 0.648 697 V HN 0.358 nan 8.190 nan 0.000 0.447 698 E N -0.683 119.499 120.200 -0.030 0.000 2.274 698 E HA -0.125 4.218 4.350 -0.011 0.000 0.194 698 E C 2.161 178.864 176.600 0.172 0.000 0.996 698 E CA 0.964 57.421 56.400 0.095 0.000 0.840 698 E CB -0.143 29.702 29.700 0.241 0.000 0.772 698 E HN 0.557 nan 8.360 nan 0.000 0.491 699 M N 0.136 119.695 119.600 -0.069 0.000 2.123 699 M HA -0.064 4.409 4.480 -0.011 0.000 0.263 699 M C 2.430 178.455 176.300 -0.458 0.000 1.069 699 M CA 1.338 56.515 55.300 -0.206 0.000 1.133 699 M CB -0.030 32.343 32.600 -0.379 0.000 1.356 699 M HN 0.125 nan 8.290 nan 0.000 0.415 700 A N -0.035 122.227 122.820 -0.931 0.000 1.930 700 A HA -0.204 4.110 4.320 -0.011 0.000 0.217 700 A C 1.963 179.330 177.584 -0.360 0.000 1.175 700 A CA 1.875 53.319 52.037 -0.988 0.000 0.627 700 A CB -0.777 17.683 19.000 -0.899 0.000 0.815 700 A HN 0.589 nan 8.150 nan 0.000 0.443 701 E N -0.447 119.616 120.200 -0.228 0.000 2.150 701 E HA -0.199 4.145 4.350 -0.011 0.000 0.193 701 E C 1.641 178.208 176.600 -0.054 0.000 0.985 701 E CA 1.182 57.519 56.400 -0.106 0.000 0.814 701 E CB -0.035 29.625 29.700 -0.066 0.000 0.752 701 E HN 0.543 nan 8.360 nan 0.000 0.466 702 E N -0.016 120.176 120.200 -0.013 0.000 2.086 702 E HA -0.043 4.300 4.350 -0.011 0.000 0.190 702 E C 1.783 178.403 176.600 0.034 0.000 0.975 702 E CA 1.007 57.429 56.400 0.037 0.000 0.813 702 E CB 0.036 29.825 29.700 0.148 0.000 0.768 702 E HN 0.354 nan 8.360 nan 0.000 0.457 703 A N 0.417 123.254 122.820 0.028 0.000 2.132 703 A HA 0.362 4.676 4.320 -0.011 0.000 0.213 703 A C 1.005 178.601 177.584 0.020 0.000 1.154 703 A CA 1.014 53.086 52.037 0.057 0.000 0.753 703 A CB 0.075 19.166 19.000 0.153 0.000 0.826 703 A HN 0.220 nan 8.150 nan 0.000 0.469 704 G N -0.483 108.301 108.800 -0.026 0.000 3.209 704 G HA2 -0.097 3.857 3.960 -0.011 0.000 0.686 704 G HA3 -0.097 3.857 3.960 -0.011 0.000 0.686 704 G C -0.046 174.835 174.900 -0.032 0.000 1.065 704 G CA 0.005 45.086 45.100 -0.031 0.000 0.812 704 G HN 0.251 nan 8.290 nan 0.000 0.573 705 E N 0.828 120.997 120.200 -0.051 0.000 2.267 705 E HA -0.158 4.185 4.350 -0.011 0.000 0.197 705 E C 2.066 178.653 176.600 -0.021 0.000 0.998 705 E CA 1.758 58.138 56.400 -0.032 0.000 0.830 705 E CB 0.076 29.753 29.700 -0.039 0.000 0.751 705 E HN 0.794 nan 8.360 nan 0.000 0.491 706 E N 0.508 120.682 120.200 -0.044 0.000 2.268 706 E HA -0.089 4.255 4.350 -0.011 0.000 0.195 706 E C 0.976 177.490 176.600 -0.144 0.000 0.995 706 E CA 0.663 57.014 56.400 -0.082 0.000 0.836 706 E CB 0.047 29.711 29.700 -0.060 0.000 0.763 706 E HN 0.151 nan 8.360 nan 0.000 0.491 707 N N -0.309 118.339 118.700 -0.086 0.000 2.251 707 N HA 0.133 4.867 4.740 -0.011 0.000 0.217 707 N C -0.941 174.507 175.510 -0.103 0.000 1.124 707 N CA 0.129 53.106 53.050 -0.122 0.000 0.843 707 N CB 0.375 38.844 38.487 -0.030 0.000 1.024 707 N HN 0.039 nan 8.380 nan 0.000 0.501 708 F N -0.467 119.281 119.950 -0.336 0.000 2.576 708 F HA 0.402 4.921 4.527 -0.012 0.000 0.313 708 F C -0.656 174.932 175.800 -0.352 0.000 1.078 708 F CA -1.134 56.707 58.000 -0.264 0.000 0.921 708 F CB 1.317 40.246 39.000 -0.117 0.000 1.232 708 F HN -0.217 nan 8.300 nan 0.000 0.459 709 F N 4.901 124.829 119.950 -0.038 0.000 2.441 709 F HA 0.413 4.934 4.527 -0.011 0.000 0.337 709 F C -0.257 175.658 175.800 0.192 0.000 1.182 709 F CA -0.443 57.581 58.000 0.040 0.000 1.279 709 F CB -0.203 38.764 39.000 -0.055 0.000 1.614 709 F HN 0.058 nan 8.300 nan 0.000 0.574 710 I N 2.778 123.550 120.570 0.337 0.000 2.472 710 I HA 0.349 4.513 4.170 -0.011 0.000 0.290 710 I C -0.035 176.270 176.117 0.313 0.000 1.016 710 I CA -0.255 61.214 61.300 0.282 0.000 1.348 710 I CB 0.548 38.639 38.000 0.151 0.000 1.417 710 I HN 0.329 nan 8.210 nan 0.000 0.521 711 F N 2.828 122.845 119.950 0.111 0.000 2.789 711 F HA 0.899 5.419 4.527 -0.011 0.000 0.319 711 F C 0.148 175.993 175.800 0.075 0.000 1.168 711 F CA -0.560 57.496 58.000 0.093 0.000 0.934 711 F CB 0.486 39.552 39.000 0.111 0.000 1.375 711 F HN 0.846 nan 8.300 nan 0.000 0.480 712 G N 0.834 109.704 108.800 0.116 0.000 2.750 712 G HA2 -0.147 3.807 3.960 -0.011 0.000 0.228 712 G HA3 -0.147 3.807 3.960 -0.011 0.000 0.228 712 G C -0.745 174.123 174.900 -0.053 0.000 1.367 712 G CA -0.384 44.711 45.100 -0.008 0.000 0.871 712 G HN 0.944 nan 8.290 nan 0.000 0.560 713 M N 0.530 120.106 119.600 -0.041 0.000 2.245 713 M HA 0.352 4.825 4.480 -0.011 0.000 0.330 713 M C 1.007 177.269 176.300 -0.062 0.000 1.098 713 M CA -0.016 55.269 55.300 -0.025 0.000 1.172 713 M CB 0.487 33.081 32.600 -0.009 0.000 1.467 713 M HN 0.529 nan 8.290 nan 0.000 0.454 714 R N 1.144 121.622 120.500 -0.036 0.000 2.691 714 R HA 0.346 4.679 4.340 -0.011 0.000 0.259 714 R C 1.083 177.364 176.300 -0.032 0.000 1.048 714 R CA -0.770 55.304 56.100 -0.043 0.000 1.086 714 R CB 0.073 30.355 30.300 -0.030 0.000 1.166 714 R HN 0.573 nan 8.270 nan 0.000 0.526 715 V N 1.695 121.589 119.914 -0.034 0.000 2.277 715 V HA -0.327 3.786 4.120 -0.011 0.000 0.253 715 V C 1.741 177.823 176.094 -0.020 0.000 1.067 715 V CA 2.265 64.549 62.300 -0.028 0.000 1.047 715 V CB -0.418 31.386 31.823 -0.031 0.000 0.649 715 V HN 0.654 nan 8.190 nan 0.000 0.447 716 E N 0.062 120.252 120.200 -0.016 0.000 2.085 716 E HA -0.204 4.140 4.350 -0.011 0.000 0.194 716 E C 1.954 178.556 176.600 0.004 0.000 0.994 716 E CA 1.528 57.924 56.400 -0.008 0.000 0.801 716 E CB -0.488 29.208 29.700 -0.006 0.000 0.743 716 E HN 0.629 nan 8.360 nan 0.000 0.453 717 D N 0.038 120.442 120.400 0.007 0.000 2.144 717 D HA -0.100 4.534 4.640 -0.011 0.000 0.199 717 D C 1.987 178.302 176.300 0.024 0.000 0.984 717 D CA 0.941 54.956 54.000 0.024 0.000 0.834 717 D CB -0.040 40.777 40.800 0.028 0.000 0.955 717 D HN 0.067 nan 8.370 nan 0.000 0.465 718 V N 1.726 121.642 119.914 0.003 0.000 2.358 718 V HA -0.202 3.912 4.120 -0.011 0.000 0.246 718 V C 1.972 178.065 176.094 -0.001 0.000 1.047 718 V CA 1.607 63.901 62.300 -0.010 0.000 1.035 718 V CB -0.377 31.430 31.823 -0.027 0.000 0.658 718 V HN 0.023 nan 8.190 nan 0.000 0.452 719 D N -0.138 120.262 120.400 -0.000 0.000 2.097 719 D HA -0.142 4.492 4.640 -0.011 0.000 0.195 719 D C 2.380 178.691 176.300 0.019 0.000 0.989 719 D CA 1.191 55.193 54.000 0.003 0.000 0.827 719 D CB -0.253 40.544 40.800 -0.004 0.000 0.966 719 D HN 0.284 nan 8.370 nan 0.000 0.456 720 R N 0.182 120.698 120.500 0.026 0.000 2.083 720 R HA -0.069 4.265 4.340 -0.011 0.000 0.237 720 R C 2.468 178.803 176.300 0.058 0.000 1.137 720 R CA 0.692 56.816 56.100 0.039 0.000 0.951 720 R CB -0.419 29.906 30.300 0.042 0.000 0.851 720 R HN 0.186 nan 8.270 nan 0.000 0.434 721 L N 0.499 121.766 121.223 0.074 0.000 2.083 721 L HA -0.225 4.108 4.340 -0.011 0.000 0.209 721 L C 1.402 178.339 176.870 0.112 0.000 1.083 721 L CA 1.466 56.377 54.840 0.119 0.000 0.752 721 L CB -0.299 41.844 42.059 0.140 0.000 0.899 721 L HN 0.297 nan 8.230 nan 0.000 0.433 722 D N -0.899 119.541 120.400 0.067 0.000 2.149 722 D HA -0.159 4.475 4.640 -0.011 0.000 0.201 722 D C 2.285 178.615 176.300 0.051 0.000 0.972 722 D CA 0.759 54.791 54.000 0.055 0.000 0.835 722 D CB 0.040 40.851 40.800 0.018 0.000 0.966 722 D HN 0.377 nan 8.370 nan 0.000 0.476 723 Q N 0.673 120.499 119.800 0.043 0.000 2.002 723 Q HA -0.176 4.158 4.340 -0.011 0.000 0.204 723 Q C 2.309 178.335 176.000 0.044 0.000 0.988 723 Q CA 1.210 57.035 55.803 0.036 0.000 0.843 723 Q CB -0.590 28.166 28.738 0.029 0.000 0.908 723 Q HN 0.481 nan 8.270 nan 0.000 0.420 724 R N 0.433 120.966 120.500 0.055 0.000 2.115 724 R HA 0.082 4.415 4.340 -0.011 0.000 0.226 724 R C 0.274 176.614 176.300 0.067 0.000 1.100 724 R CA 1.161 57.294 56.100 0.056 0.000 0.980 724 R CB -0.043 30.293 30.300 0.060 0.000 0.875 724 R HN 0.189 nan 8.270 nan 0.000 0.445 725 G N 0.522 109.378 108.800 0.092 0.000 3.367 725 G HA2 -0.211 3.742 3.960 -0.011 0.000 0.686 725 G HA3 -0.211 3.742 3.960 -0.011 0.000 0.686 725 G C -1.529 173.468 174.900 0.162 0.000 1.146 725 G CA -0.327 44.838 45.100 0.108 0.000 0.913 725 G HN 0.330 nan 8.290 nan 0.000 0.554 726 Y N 3.753 124.089 120.300 0.059 0.000 2.393 726 Y HA 0.548 5.092 4.550 -0.011 0.000 0.338 726 Y C 0.441 176.399 175.900 0.098 0.000 1.029 726 Y CA -0.704 57.450 58.100 0.089 0.000 1.239 726 Y CB 0.888 39.378 38.460 0.049 0.000 1.170 726 Y HN 0.572 nan 8.280 nan 0.000 0.515 727 N N 5.194 123.649 118.700 -0.409 0.000 2.569 727 N HA 0.282 5.016 4.740 -0.011 0.000 0.254 727 N C 0.138 175.400 175.510 -0.412 0.000 1.004 727 N CA 0.257 53.100 53.050 -0.345 0.000 0.904 727 N CB 1.483 39.900 38.487 -0.117 0.000 1.165 727 N HN 0.882 nan 8.380 nan 0.000 0.513 728 A N 2.970 125.468 122.820 -0.537 0.000 2.024 728 A HA -0.214 4.099 4.320 -0.011 0.000 0.220 728 A C 1.957 179.682 177.584 0.236 0.000 1.164 728 A CA 1.361 53.342 52.037 -0.092 0.000 0.643 728 A CB -0.294 18.607 19.000 -0.165 0.000 0.806 728 A HN 0.763 nan 8.150 nan 0.000 0.451 729 Q N 0.173 120.002 119.800 0.048 0.000 2.096 729 Q HA -0.226 4.107 4.340 -0.011 0.000 0.204 729 Q C 1.902 177.975 176.000 0.121 0.000 0.982 729 Q CA 2.232 58.081 55.803 0.076 0.000 0.850 729 Q CB -0.330 28.410 28.738 0.003 0.000 0.901 729 Q HN 0.765 nan 8.270 nan 0.000 0.422 730 E N -1.284 118.931 120.200 0.025 0.000 2.049 730 E HA -0.249 4.094 4.350 -0.011 0.000 0.198 730 E C 1.657 178.179 176.600 -0.129 0.000 1.007 730 E CA 1.636 57.975 56.400 -0.102 0.000 0.809 730 E CB -0.224 29.319 29.700 -0.262 0.000 0.749 730 E HN 0.571 nan 8.360 nan 0.000 0.450 731 Y N -1.200 119.149 120.300 0.082 0.000 2.242 731 Y HA -0.217 4.326 4.550 -0.011 0.000 0.291 731 Y C 2.183 178.047 175.900 -0.061 0.000 1.137 731 Y CA 1.507 59.636 58.100 0.049 0.000 1.181 731 Y CB -0.586 37.956 38.460 0.136 0.000 0.989 731 Y HN 0.261 nan 8.280 nan 0.000 0.527 732 Y N 1.095 121.382 120.300 -0.022 0.000 2.224 732 Y HA -0.239 4.304 4.550 -0.011 0.000 0.289 732 Y C 1.815 177.659 175.900 -0.094 0.000 1.146 732 Y CA 1.682 59.692 58.100 -0.150 0.000 1.182 732 Y CB -0.299 38.124 38.460 -0.062 0.000 0.983 732 Y HN 0.063 nan 8.280 nan 0.000 0.524 733 D N -0.158 120.291 120.400 0.082 0.000 2.123 733 D HA -0.105 4.528 4.640 -0.011 0.000 0.200 733 D C 1.936 178.189 176.300 -0.079 0.000 0.976 733 D CA 1.237 55.239 54.000 0.004 0.000 0.831 733 D CB -0.115 40.715 40.800 0.051 0.000 0.974 733 D HN 0.460 nan 8.370 nan 0.000 0.469 734 R N 0.101 120.559 120.500 -0.072 0.000 2.297 734 R HA 0.196 4.529 4.340 -0.011 0.000 0.197 734 R C 0.435 176.700 176.300 -0.057 0.000 0.943 734 R CA 0.178 56.239 56.100 -0.064 0.000 1.038 734 R CB 0.587 30.849 30.300 -0.063 0.000 0.957 734 R HN 0.194 nan 8.270 nan 0.000 0.484 735 I N 2.349 122.864 120.570 -0.091 0.000 2.437 735 I HA 0.209 4.372 4.170 -0.011 0.000 0.279 735 I C -1.859 174.158 176.117 -0.166 0.000 1.028 735 I CA -2.456 58.800 61.300 -0.073 0.000 1.142 735 I CB 2.333 40.329 38.000 -0.006 0.000 1.266 735 I HN -0.270 nan 8.210 nan 0.000 0.461 736 P HA -0.156 nan 4.420 nan 0.000 0.215 736 P C 1.176 178.384 177.300 -0.153 0.000 1.153 736 P CA 1.332 64.340 63.100 -0.154 0.000 0.853 736 P CB 0.300 31.943 31.700 -0.096 0.000 0.788 737 E N -0.918 119.234 120.200 -0.082 0.000 2.110 737 E HA -0.170 4.173 4.350 -0.011 0.000 0.193 737 E C 1.880 178.401 176.600 -0.130 0.000 0.988 737 E CA 0.793 57.166 56.400 -0.044 0.000 0.804 737 E CB -0.612 29.134 29.700 0.078 0.000 0.745 737 E HN 0.119 nan 8.360 nan 0.000 0.458 738 L N 1.367 122.428 121.223 -0.271 0.000 2.027 738 L HA -0.133 4.200 4.340 -0.011 0.000 0.206 738 L C 2.406 179.014 176.870 -0.437 0.000 1.074 738 L CA 1.661 56.165 54.840 -0.560 0.000 0.745 738 L CB -0.410 41.164 42.059 -0.808 0.000 0.898 738 L HN -0.080 nan 8.230 nan 0.000 0.433 739 R N -0.787 119.418 120.500 -0.491 0.000 2.091 739 R HA -0.245 4.088 4.340 -0.011 0.000 0.238 739 R C 2.375 178.515 176.300 -0.267 0.000 1.136 739 R CA 1.985 57.705 56.100 -0.633 0.000 0.959 739 R CB -0.375 29.432 30.300 -0.821 0.000 0.856 739 R HN 0.634 nan 8.270 nan 0.000 0.437 740 Q N 0.459 120.137 119.800 -0.205 0.000 2.096 740 Q HA -0.181 4.153 4.340 -0.011 0.000 0.204 740 Q C 2.081 178.036 176.000 -0.075 0.000 0.982 740 Q CA 1.890 57.620 55.803 -0.121 0.000 0.850 740 Q CB -0.098 28.570 28.738 -0.116 0.000 0.901 740 Q HN 0.489 nan 8.270 nan 0.000 0.422 741 I N 0.175 120.700 120.570 -0.074 0.000 2.142 741 I HA -0.292 3.871 4.170 -0.011 0.000 0.240 741 I C 2.156 178.303 176.117 0.049 0.000 1.078 741 I CA 0.930 62.225 61.300 -0.008 0.000 1.343 741 I CB -0.213 37.760 38.000 -0.045 0.000 1.046 741 I HN 0.236 nan 8.210 nan 0.000 0.405 742 I N 0.695 121.294 120.570 0.049 0.000 2.335 742 I HA -0.271 3.893 4.170 -0.011 0.000 0.251 742 I C 2.329 178.548 176.117 0.170 0.000 1.129 742 I CA 1.589 62.981 61.300 0.152 0.000 1.402 742 I CB -0.364 37.808 38.000 0.286 0.000 1.069 742 I HN 0.217 nan 8.210 nan 0.000 0.424 743 E N -0.480 119.802 120.200 0.137 0.000 2.285 743 E HA -0.181 4.163 4.350 -0.011 0.000 0.194 743 E C 2.039 178.708 176.600 0.115 0.000 0.997 743 E CA 0.438 56.913 56.400 0.125 0.000 0.845 743 E CB -0.041 29.711 29.700 0.088 0.000 0.782 743 E HN 0.587 nan 8.360 nan 0.000 0.491 744 Q N 0.523 120.386 119.800 0.104 0.000 2.083 744 Q HA -0.047 4.287 4.340 -0.011 0.000 0.198 744 Q C 2.259 178.460 176.000 0.335 0.000 0.969 744 Q CA 0.792 56.676 55.803 0.135 0.000 0.838 744 Q CB 0.159 28.917 28.738 0.034 0.000 0.900 744 Q HN 0.265 nan 8.270 nan 0.000 0.436 745 L N -0.327 121.093 121.223 0.328 0.000 2.027 745 L HA -0.168 4.166 4.340 -0.011 0.000 0.206 745 L C 2.398 179.457 176.870 0.314 0.000 1.074 745 L CA 0.945 55.995 54.840 0.350 0.000 0.745 745 L CB -0.398 41.779 42.059 0.196 0.000 0.898 745 L HN 0.142 nan 8.230 nan 0.000 0.433 746 S N -0.181 115.656 115.700 0.229 0.000 2.382 746 S HA -0.151 4.312 4.470 -0.011 0.000 0.228 746 S C 2.049 176.751 174.600 0.170 0.000 1.027 746 S CA 1.585 59.895 58.200 0.184 0.000 0.991 746 S CB -0.205 63.082 63.200 0.145 0.000 0.823 746 S HN 0.604 nan 8.310 nan 0.000 0.469 747 S N 0.272 116.078 115.700 0.176 0.000 2.593 747 S HA 0.340 4.804 4.470 -0.011 0.000 0.217 747 S C 1.345 176.043 174.600 0.164 0.000 0.966 747 S CA 0.656 58.946 58.200 0.150 0.000 0.914 747 S CB -0.005 63.275 63.200 0.134 0.000 0.776 747 S HN 0.783 nan 8.310 nan 0.000 0.523 748 G N 0.843 109.774 108.800 0.219 0.000 2.132 748 G HA2 -0.299 3.654 3.960 -0.011 0.000 0.228 748 G HA3 -0.299 3.654 3.960 -0.011 0.000 0.228 748 G C 0.159 175.166 174.900 0.178 0.000 1.000 748 G CA 0.145 45.365 45.100 0.199 0.000 0.693 748 G HN 0.594 nan 8.290 nan 0.000 0.515 749 F N 0.033 120.013 119.950 0.051 0.000 2.216 749 F HA 0.230 4.750 4.527 -0.011 0.000 0.300 749 F C 1.840 177.477 175.800 -0.272 0.000 1.085 749 F CA 1.839 59.755 58.000 -0.140 0.000 1.326 749 F CB -0.029 38.826 39.000 -0.242 0.000 1.027 749 F HN 0.169 nan 8.300 nan 0.000 0.497 750 F N -0.330 119.726 119.950 0.176 0.000 2.695 750 F HA 0.207 4.728 4.527 -0.011 0.000 0.303 750 F C 0.684 176.571 175.800 0.144 0.000 1.091 750 F CA 0.229 58.284 58.000 0.092 0.000 1.300 750 F CB 0.035 39.122 39.000 0.145 0.000 1.071 750 F HN -0.038 nan 8.300 nan 0.000 0.578 751 S N -1.473 114.385 115.700 0.263 0.000 2.440 751 S HA 0.331 4.794 4.470 -0.011 0.000 0.142 751 S C -2.474 172.156 174.600 0.050 0.000 1.578 751 S CA -1.131 57.153 58.200 0.140 0.000 1.260 751 S CB 1.007 64.250 63.200 0.071 0.000 1.407 751 S HN -0.191 nan 8.310 nan 0.000 0.392 752 P HA -0.122 nan 4.420 nan 0.000 0.213 752 P C 1.189 178.486 177.300 -0.005 0.000 1.170 752 P CA 1.447 64.535 63.100 -0.021 0.000 0.902 752 P CB 0.077 31.741 31.700 -0.060 0.000 0.789 753 K N -0.953 119.444 120.400 -0.006 0.000 2.209 753 K HA -0.101 4.213 4.320 -0.011 0.000 0.204 753 K C 0.688 177.289 176.600 0.001 0.000 1.048 753 K CA 1.058 57.344 56.287 -0.002 0.000 0.940 753 K CB -0.240 32.260 32.500 0.001 0.000 0.729 753 K HN 0.340 nan 8.250 nan 0.000 0.451 754 Q N -0.428 119.371 119.800 -0.003 0.000 2.907 754 Q HA 0.158 4.491 4.340 -0.011 0.000 0.262 754 Q C -2.338 173.654 176.000 -0.013 0.000 0.997 754 Q CA -1.616 54.180 55.803 -0.013 0.000 0.797 754 Q CB 1.530 30.251 28.738 -0.028 0.000 1.228 754 Q HN -0.089 nan 8.270 nan 0.000 0.466 755 P HA -0.247 nan 4.420 nan 0.000 0.217 755 P C 0.645 177.982 177.300 0.060 0.000 1.148 755 P CA 1.516 64.647 63.100 0.051 0.000 0.834 755 P CB 0.208 31.937 31.700 0.050 0.000 0.783 756 D N -1.246 119.172 120.400 0.030 0.000 2.342 756 D HA -0.010 4.624 4.640 -0.011 0.000 0.221 756 D C 1.604 177.900 176.300 -0.008 0.000 1.101 756 D CA -0.228 53.796 54.000 0.040 0.000 0.837 756 D CB -0.550 40.275 40.800 0.042 0.000 0.938 756 D HN 0.025 nan 8.370 nan 0.000 0.508 757 L N -0.002 121.151 121.223 -0.117 0.000 2.081 757 L HA -0.084 4.249 4.340 -0.011 0.000 0.212 757 L C 1.097 177.727 176.870 -0.400 0.000 1.080 757 L CA 1.667 56.319 54.840 -0.313 0.000 0.754 757 L CB -0.633 41.077 42.059 -0.583 0.000 0.893 757 L HN -0.007 nan 8.230 nan 0.000 0.433 758 F N -0.791 119.214 119.950 0.092 0.000 2.668 758 F HA 0.139 4.659 4.527 -0.011 0.000 0.297 758 F C 1.810 177.661 175.800 0.084 0.000 1.124 758 F CA -0.154 57.890 58.000 0.073 0.000 1.353 758 F CB -0.246 38.785 39.000 0.050 0.000 0.992 758 F HN 0.096 nan 8.300 nan 0.000 0.524 759 K N -0.488 120.025 120.400 0.189 0.000 2.152 759 K HA -0.177 4.136 4.320 -0.011 0.000 0.206 759 K C 0.968 177.671 176.600 0.171 0.000 1.048 759 K CA 1.903 58.288 56.287 0.163 0.000 0.933 759 K CB -0.226 32.346 32.500 0.120 0.000 0.721 759 K HN 0.064 nan 8.250 nan 0.000 0.447 760 D N 1.214 121.729 120.400 0.191 0.000 2.144 760 D HA -0.064 4.569 4.640 -0.011 0.000 0.200 760 D C 2.005 178.418 176.300 0.187 0.000 0.978 760 D CA 1.058 55.183 54.000 0.209 0.000 0.833 760 D CB -0.076 40.886 40.800 0.269 0.000 0.961 760 D HN 0.303 nan 8.370 nan 0.000 0.470 761 I N 0.368 121.046 120.570 0.179 0.000 2.163 761 I HA -0.210 3.953 4.170 -0.011 0.000 0.240 761 I C 2.444 178.612 176.117 0.085 0.000 1.081 761 I CA 0.596 61.968 61.300 0.120 0.000 1.353 761 I CB -0.269 37.794 38.000 0.106 0.000 1.054 761 I HN -0.123 nan 8.210 nan 0.000 0.407 762 V N 1.140 121.120 119.914 0.111 0.000 2.287 762 V HA -0.335 3.779 4.120 -0.011 0.000 0.248 762 V C 2.182 178.287 176.094 0.017 0.000 1.053 762 V CA 2.556 64.904 62.300 0.079 0.000 1.027 762 V CB -1.041 30.850 31.823 0.114 0.000 0.646 762 V HN 0.492 nan 8.190 nan 0.000 0.447 763 N N -0.451 118.292 118.700 0.072 0.000 2.069 763 N HA -0.245 4.489 4.740 -0.011 0.000 0.191 763 N C 1.973 177.451 175.510 -0.054 0.000 1.031 763 N CA 1.937 55.041 53.050 0.090 0.000 0.852 763 N CB -0.199 38.409 38.487 0.201 0.000 1.018 763 N HN 0.370 nan 8.380 nan 0.000 0.423 764 M N 0.123 119.745 119.600 0.037 0.000 2.067 764 M HA -0.146 4.327 4.480 -0.011 0.000 0.260 764 M C 1.567 177.782 176.300 -0.142 0.000 1.069 764 M CA 1.406 56.729 55.300 0.037 0.000 1.117 764 M CB -0.576 32.128 32.600 0.174 0.000 1.334 764 M HN 0.243 nan 8.290 nan 0.000 0.407 765 L N 0.841 121.967 121.223 -0.161 0.000 2.042 765 L HA -0.233 4.100 4.340 -0.011 0.000 0.210 765 L C 2.480 179.045 176.870 -0.509 0.000 1.076 765 L CA 1.741 56.370 54.840 -0.351 0.000 0.749 765 L CB -1.169 40.711 42.059 -0.298 0.000 0.893 765 L HN 0.399 nan 8.230 nan 0.000 0.432 766 M N -2.026 117.315 119.600 -0.433 0.000 2.334 766 M HA -0.065 4.409 4.480 -0.011 0.000 0.266 766 M C 1.844 177.689 176.300 -0.759 0.000 1.082 766 M CA 1.307 56.261 55.300 -0.576 0.000 1.141 766 M CB -0.706 31.457 32.600 -0.728 0.000 1.380 766 M HN 0.343 nan 8.290 nan 0.000 0.440 767 H N -1.896 116.950 119.070 -0.373 0.000 2.927 767 H HA 0.212 4.761 4.556 -0.011 0.000 0.255 767 H C 0.064 175.131 175.328 -0.435 0.000 0.974 767 H CA 0.555 56.332 56.048 -0.452 0.000 1.199 767 H CB 0.282 29.721 29.762 -0.537 0.000 1.447 767 H HN 0.540 nan 8.280 nan 0.000 0.467 768 H N -0.265 118.861 119.070 0.094 0.000 2.712 768 H HA 0.209 4.759 4.556 -0.011 0.000 0.226 768 H C -0.943 174.402 175.328 0.028 0.000 1.422 768 H CA -0.488 55.602 56.048 0.070 0.000 1.270 768 H CB 0.516 30.325 29.762 0.077 0.000 1.891 768 H HN -0.076 nan 8.280 nan 0.000 0.518 769 D N 1.404 121.837 120.400 0.055 0.000 2.411 769 D HA 0.120 4.753 4.640 -0.011 0.000 0.225 769 D C 0.943 177.167 176.300 -0.126 0.000 1.156 769 D CA -0.276 53.721 54.000 -0.006 0.000 0.874 769 D CB 0.615 41.397 40.800 -0.031 0.000 1.034 769 D HN 0.401 nan 8.370 nan 0.000 0.502 770 R N 2.209 122.528 120.500 -0.302 0.000 2.189 770 R HA -0.031 4.302 4.340 -0.011 0.000 0.218 770 R C 0.551 176.271 176.300 -0.967 0.000 1.074 770 R CA 0.830 56.519 56.100 -0.685 0.000 0.991 770 R CB 0.166 29.852 30.300 -1.024 0.000 0.883 770 R HN 0.390 nan 8.270 nan 0.000 0.457 771 F N 1.426 121.325 119.950 -0.086 0.000 2.708 771 F HA 0.213 4.734 4.527 -0.011 0.000 0.300 771 F C -0.022 175.638 175.800 -0.235 0.000 1.118 771 F CA -0.840 57.090 58.000 -0.116 0.000 1.307 771 F CB 0.085 39.076 39.000 -0.015 0.000 0.986 771 F HN -0.201 nan 8.300 nan 0.000 0.522 772 K N -0.704 119.451 120.400 -0.409 0.000 4.166 772 K HA -0.203 4.110 4.320 -0.011 0.000 0.276 772 K C 0.742 177.190 176.600 -0.253 0.000 0.808 772 K CA 0.233 56.096 56.287 -0.707 0.000 0.717 772 K CB -1.840 30.036 32.500 -1.040 0.000 1.774 772 K HN 0.297 nan 8.250 nan 0.000 0.427 773 V N 0.651 120.494 119.914 -0.119 0.000 2.358 773 V HA -0.224 3.889 4.120 -0.011 0.000 0.246 773 V C 2.168 178.379 176.094 0.195 0.000 1.047 773 V CA 1.942 64.254 62.300 0.020 0.000 1.035 773 V CB -0.585 31.242 31.823 0.006 0.000 0.658 773 V HN 0.605 nan 8.190 nan 0.000 0.452 774 F N 0.305 120.252 119.950 -0.004 0.000 2.186 774 F HA -0.161 4.360 4.527 -0.011 0.000 0.299 774 F C 2.556 178.163 175.800 -0.322 0.000 1.090 774 F CA 0.641 58.591 58.000 -0.083 0.000 1.307 774 F CB -0.396 38.567 39.000 -0.062 0.000 1.019 774 F HN 0.193 nan 8.300 nan 0.000 0.489 775 A N -0.392 122.258 122.820 -0.284 0.000 2.024 775 A HA -0.226 4.088 4.320 -0.011 0.000 0.220 775 A C 1.426 179.010 177.584 0.001 0.000 1.164 775 A CA 2.090 53.895 52.037 -0.386 0.000 0.643 775 A CB -0.508 18.388 19.000 -0.172 0.000 0.806 775 A HN 0.252 nan 8.150 nan 0.000 0.451 776 D N -3.078 117.381 120.400 0.099 0.000 2.398 776 D HA 0.117 4.751 4.640 -0.011 0.000 0.210 776 D C 1.108 177.582 176.300 0.291 0.000 1.094 776 D CA -0.117 54.016 54.000 0.222 0.000 0.839 776 D CB -0.119 40.819 40.800 0.229 0.000 0.963 776 D HN 0.588 nan 8.370 nan 0.000 0.506 777 Y N 2.062 122.453 120.300 0.152 0.000 2.049 777 Y HA -0.230 4.314 4.550 -0.010 0.000 0.277 777 Y C 2.132 178.128 175.900 0.160 0.000 1.143 777 Y CA 1.902 60.102 58.100 0.168 0.000 1.115 777 Y CB 0.182 38.718 38.460 0.126 0.000 0.975 777 Y HN -0.120 nan 8.280 nan 0.000 0.487 778 E N 0.041 120.314 120.200 0.121 0.000 2.049 778 E HA -0.292 4.051 4.350 -0.011 0.000 0.198 778 E C 2.197 178.775 176.600 -0.037 0.000 1.007 778 E CA 1.824 58.223 56.400 -0.002 0.000 0.809 778 E CB -0.256 29.543 29.700 0.165 0.000 0.749 778 E HN 0.633 nan 8.360 nan 0.000 0.450 779 E N -0.446 119.810 120.200 0.092 0.000 2.204 779 E HA -0.192 4.151 4.350 -0.011 0.000 0.195 779 E C 1.869 178.474 176.600 0.009 0.000 0.990 779 E CA 0.601 57.074 56.400 0.122 0.000 0.821 779 E CB -0.065 29.795 29.700 0.267 0.000 0.750 779 E HN 0.260 nan 8.360 nan 0.000 0.477 780 Y N 0.699 120.833 120.300 -0.277 0.000 2.163 780 Y HA -0.193 4.351 4.550 -0.011 0.000 0.288 780 Y C 2.193 177.701 175.900 -0.652 0.000 1.136 780 Y CA 1.503 59.128 58.100 -0.792 0.000 1.147 780 Y CB -0.454 37.598 38.460 -0.680 0.000 0.987 780 Y HN -0.034 nan 8.280 nan 0.000 0.509 781 V N -0.775 118.778 119.914 -0.602 0.000 2.667 781 V HA -0.110 4.003 4.120 -0.011 0.000 0.252 781 V C 2.136 177.995 176.094 -0.392 0.000 1.065 781 V CA 2.048 64.001 62.300 -0.578 0.000 1.083 781 V CB -0.567 31.005 31.823 -0.419 0.000 0.692 781 V HN 0.204 nan 8.190 nan 0.000 0.468 782 K N 0.048 120.279 120.400 -0.282 0.000 2.025 782 K HA -0.073 4.240 4.320 -0.011 0.000 0.207 782 K C 2.269 178.772 176.600 -0.162 0.000 1.049 782 K CA 1.919 58.110 56.287 -0.159 0.000 0.933 782 K CB -1.189 31.266 32.500 -0.075 0.000 0.714 782 K HN 0.660 nan 8.250 nan 0.000 0.438 783 C N 0.880 120.055 119.300 -0.208 0.000 2.435 783 C HA -0.055 4.399 4.460 -0.011 0.000 0.279 783 C C 2.345 177.157 174.990 -0.297 0.000 1.321 783 C CA 0.645 59.571 59.018 -0.153 0.000 1.752 783 C CB -0.675 26.996 27.740 -0.116 0.000 1.959 783 C HN 0.440 nan 8.230 nan 0.000 0.500 784 Q N 0.378 119.860 119.800 -0.530 0.000 2.224 784 Q HA -0.139 4.195 4.340 -0.011 0.000 0.203 784 Q C 1.976 177.781 176.000 -0.326 0.000 0.970 784 Q CA 1.406 56.852 55.803 -0.596 0.000 0.865 784 Q CB -0.294 27.852 28.738 -0.985 0.000 0.922 784 Q HN 0.758 nan 8.270 nan 0.000 0.445 785 E N 0.284 120.351 120.200 -0.221 0.000 2.072 785 E HA -0.123 4.221 4.350 -0.011 0.000 0.191 785 E C 2.019 178.585 176.600 -0.057 0.000 0.985 785 E CA 0.614 56.947 56.400 -0.112 0.000 0.801 785 E CB 0.111 29.764 29.700 -0.079 0.000 0.750 785 E HN 0.252 nan 8.360 nan 0.000 0.452 786 R N 0.357 120.838 120.500 -0.031 0.000 2.115 786 R HA -0.101 4.233 4.340 -0.011 0.000 0.230 786 R C 2.618 178.993 176.300 0.125 0.000 1.111 786 R CA 1.379 57.537 56.100 0.097 0.000 0.976 786 R CB -0.569 29.853 30.300 0.204 0.000 0.870 786 R HN 0.224 nan 8.270 nan 0.000 0.445 787 V N -1.398 118.404 119.914 -0.187 0.000 2.591 787 V HA -0.079 4.034 4.120 -0.011 0.000 0.249 787 V C 1.931 178.056 176.094 0.051 0.000 1.053 787 V CA 1.730 63.829 62.300 -0.336 0.000 1.068 787 V CB 0.039 31.321 31.823 -0.903 0.000 0.689 787 V HN 0.071 nan 8.190 nan 0.000 0.462 788 S N 0.856 116.529 115.700 -0.046 0.000 2.383 788 S HA 0.049 4.512 4.470 -0.011 0.000 0.227 788 S C 2.239 176.894 174.600 0.091 0.000 1.026 788 S CA 1.505 59.696 58.200 -0.015 0.000 0.981 788 S CB -0.495 62.669 63.200 -0.062 0.000 0.818 788 S HN 0.941 nan 8.310 nan 0.000 0.472 789 A N 1.296 124.182 122.820 0.110 0.000 1.898 789 A HA 0.041 4.354 4.320 -0.011 0.000 0.216 789 A C 2.072 179.772 177.584 0.193 0.000 1.181 789 A CA 0.966 53.085 52.037 0.136 0.000 0.620 789 A CB -0.653 18.420 19.000 0.121 0.000 0.819 789 A HN 0.457 nan 8.150 nan 0.000 0.442 790 L N -1.964 119.445 121.223 0.309 0.000 2.093 790 L HA -0.137 4.196 4.340 -0.011 0.000 0.208 790 L C 2.446 179.587 176.870 0.452 0.000 1.085 790 L CA 1.712 56.814 54.840 0.436 0.000 0.755 790 L CB -0.437 42.017 42.059 0.658 0.000 0.904 790 L HN 0.595 nan 8.230 nan 0.000 0.435 791 Y N 0.908 121.286 120.300 0.131 0.000 2.333 791 Y HA -0.258 4.286 4.550 -0.010 0.000 0.290 791 Y C 2.412 178.196 175.900 -0.194 0.000 1.144 791 Y CA 1.542 59.391 58.100 -0.418 0.000 1.228 791 Y CB -0.044 37.955 38.460 -0.767 0.000 0.985 791 Y HN 0.045 nan 8.280 nan 0.000 0.542 792 K N 0.020 120.426 120.400 0.010 0.000 2.439 792 K HA -0.103 4.210 4.320 -0.011 0.000 0.197 792 K C 0.292 176.862 176.600 -0.049 0.000 1.041 792 K CA 0.572 56.858 56.287 -0.001 0.000 0.970 792 K CB -0.055 32.497 32.500 0.087 0.000 0.773 792 K HN 0.043 nan 8.250 nan 0.000 0.479 793 N N 0.324 119.010 118.700 -0.023 0.000 2.976 793 N HA 0.141 4.874 4.740 -0.011 0.000 0.255 793 N C -2.444 173.063 175.510 -0.005 0.000 1.312 793 N CA -2.217 50.834 53.050 0.001 0.000 0.897 793 N CB 1.041 39.567 38.487 0.066 0.000 1.184 793 N HN -0.186 nan 8.380 nan 0.000 0.497 794 P HA -0.258 nan 4.420 nan 0.000 0.218 794 P C 1.460 178.773 177.300 0.022 0.000 1.165 794 P CA 1.475 64.500 63.100 -0.126 0.000 0.922 794 P CB 0.326 31.932 31.700 -0.157 0.000 0.794 795 R N -0.454 120.057 120.500 0.017 0.000 2.096 795 R HA -0.197 4.136 4.340 -0.011 0.000 0.240 795 R C 2.120 178.465 176.300 0.076 0.000 1.139 795 R CA 1.634 57.759 56.100 0.041 0.000 0.952 795 R CB -0.411 29.904 30.300 0.025 0.000 0.854 795 R HN 0.153 nan 8.270 nan 0.000 0.436 796 E N -0.352 119.904 120.200 0.094 0.000 2.152 796 E HA -0.215 4.129 4.350 -0.011 0.000 0.192 796 E C 1.558 178.248 176.600 0.150 0.000 0.983 796 E CA 0.642 57.104 56.400 0.103 0.000 0.818 796 E CB -0.421 29.339 29.700 0.100 0.000 0.758 796 E HN 0.521 nan 8.360 nan 0.000 0.467 797 W N 2.034 123.336 121.300 0.004 0.000 2.355 797 W HA -0.172 4.481 4.660 -0.012 0.000 0.309 797 W C 1.595 178.127 176.519 0.022 0.000 1.206 797 W CA 2.046 59.411 57.345 0.033 0.000 1.284 797 W CB -0.367 29.091 29.460 -0.004 0.000 1.145 797 W HN 0.032 nan 8.180 nan 0.000 0.502 798 T N 1.218 115.926 114.554 0.257 0.000 2.833 798 T HA -0.169 4.175 4.350 -0.011 0.000 0.269 798 T C 1.822 176.545 174.700 0.038 0.000 1.054 798 T CA 1.605 63.782 62.100 0.128 0.000 1.135 798 T CB -0.261 68.661 68.868 0.091 0.000 0.869 798 T HN 0.191 nan 8.240 nan 0.000 0.466 799 R N 0.348 120.874 120.500 0.044 0.000 2.115 799 R HA 0.157 4.491 4.340 -0.011 0.000 0.226 799 R C 2.467 178.764 176.300 -0.005 0.000 1.100 799 R CA 0.994 57.116 56.100 0.035 0.000 0.980 799 R CB -0.311 30.014 30.300 0.042 0.000 0.875 799 R HN 0.362 nan 8.270 nan 0.000 0.445 800 M N 0.508 120.071 119.600 -0.062 0.000 2.200 800 M HA -0.114 4.360 4.480 -0.011 0.000 0.265 800 M C 1.934 178.150 176.300 -0.139 0.000 1.066 800 M CA 1.256 56.480 55.300 -0.126 0.000 1.127 800 M CB 0.210 32.675 32.600 -0.225 0.000 1.379 800 M HN -0.039 nan 8.290 nan 0.000 0.420 801 V N 0.833 120.648 119.914 -0.164 0.000 2.343 801 V HA -0.304 3.810 4.120 -0.011 0.000 0.247 801 V C 2.182 178.261 176.094 -0.026 0.000 1.051 801 V CA 1.931 64.160 62.300 -0.118 0.000 1.036 801 V CB -0.548 31.230 31.823 -0.075 0.000 0.654 801 V HN 0.505 nan 8.190 nan 0.000 0.451 802 I N -0.641 119.936 120.570 0.011 0.000 2.286 802 I HA -0.260 3.903 4.170 -0.011 0.000 0.248 802 I C 2.659 178.823 176.117 0.079 0.000 1.115 802 I CA 1.413 62.763 61.300 0.084 0.000 1.392 802 I CB -0.313 37.781 38.000 0.156 0.000 1.065 802 I HN 0.178 nan 8.210 nan 0.000 0.418 803 R N 0.865 121.389 120.500 0.041 0.000 2.148 803 R HA -0.079 4.254 4.340 -0.011 0.000 0.227 803 R C 2.018 178.349 176.300 0.053 0.000 1.103 803 R CA 1.177 57.300 56.100 0.039 0.000 0.983 803 R CB -0.235 30.071 30.300 0.010 0.000 0.874 803 R HN 0.435 nan 8.270 nan 0.000 0.451 804 N N -0.332 118.394 118.700 0.043 0.000 2.148 804 N HA -0.064 4.669 4.740 -0.011 0.000 0.186 804 N C 1.762 177.330 175.510 0.096 0.000 1.031 804 N CA 1.327 54.423 53.050 0.078 0.000 0.848 804 N CB 0.009 38.517 38.487 0.034 0.000 1.005 804 N HN 0.140 nan 8.380 nan 0.000 0.427 805 I N 1.712 122.327 120.570 0.075 0.000 2.163 805 I HA -0.242 3.921 4.170 -0.011 0.000 0.243 805 I C 2.360 178.527 176.117 0.084 0.000 1.085 805 I CA 1.004 62.353 61.300 0.081 0.000 1.347 805 I CB -0.302 37.739 38.000 0.068 0.000 1.044 805 I HN 0.088 nan 8.210 nan 0.000 0.408 806 A N -1.141 121.728 122.820 0.082 0.000 2.172 806 A HA -0.165 4.148 4.320 -0.011 0.000 0.216 806 A C 2.164 179.786 177.584 0.065 0.000 1.154 806 A CA 1.976 54.053 52.037 0.066 0.000 0.701 806 A CB -0.550 18.495 19.000 0.074 0.000 0.789 806 A HN 0.394 nan 8.150 nan 0.000 0.465 807 T N -1.085 113.522 114.554 0.088 0.000 3.132 807 T HA 0.136 4.480 4.350 -0.011 0.000 0.274 807 T C 1.487 176.281 174.700 0.158 0.000 1.011 807 T CA 0.708 62.865 62.100 0.096 0.000 0.899 807 T CB -0.401 68.521 68.868 0.090 0.000 1.089 807 T HN 0.601 nan 8.240 nan 0.000 0.543 808 S N -0.883 114.926 115.700 0.182 0.000 2.528 808 S HA 0.177 4.641 4.470 -0.011 0.000 0.219 808 S C 2.328 177.070 174.600 0.237 0.000 0.985 808 S CA 0.595 58.977 58.200 0.305 0.000 0.914 808 S CB -0.384 62.965 63.200 0.248 0.000 0.776 808 S HN 0.432 nan 8.310 nan 0.000 0.526 809 G N 2.761 111.627 108.800 0.109 0.000 2.550 809 G HA2 -0.335 3.619 3.960 -0.011 0.000 0.222 809 G HA3 -0.335 3.619 3.960 -0.011 0.000 0.222 809 G C 1.348 176.221 174.900 -0.045 0.000 1.113 809 G CA 1.175 46.307 45.100 0.053 0.000 0.748 809 G HN 0.580 nan 8.290 nan 0.000 0.585 810 K N -0.058 120.212 120.400 -0.218 0.000 2.209 810 K HA -0.038 4.276 4.320 -0.011 0.000 0.204 810 K C 1.137 177.403 176.600 -0.557 0.000 1.048 810 K CA 0.637 56.641 56.287 -0.471 0.000 0.940 810 K CB -0.257 31.785 32.500 -0.764 0.000 0.729 810 K HN 0.423 nan 8.250 nan 0.000 0.451 811 F N 1.145 121.127 119.950 0.052 0.000 2.676 811 F HA 0.108 4.628 4.527 -0.012 0.000 0.300 811 F C 0.848 176.697 175.800 0.081 0.000 1.160 811 F CA -0.510 57.528 58.000 0.064 0.000 1.401 811 F CB 0.298 39.331 39.000 0.056 0.000 1.037 811 F HN -0.124 nan 8.300 nan 0.000 0.522 812 S N 0.034 115.818 115.700 0.140 0.000 2.562 812 S HA 0.131 4.594 4.470 -0.011 0.000 0.275 812 S C 1.351 176.039 174.600 0.147 0.000 1.281 812 S CA -0.325 57.959 58.200 0.140 0.000 1.045 812 S CB 1.015 64.268 63.200 0.089 0.000 0.962 812 S HN 0.294 nan 8.310 nan 0.000 0.503 813 S N 2.804 118.616 115.700 0.186 0.000 2.555 813 S HA -0.024 4.439 4.470 -0.011 0.000 0.230 813 S C 0.807 175.471 174.600 0.108 0.000 0.978 813 S CA 0.392 58.730 58.200 0.229 0.000 0.934 813 S CB -0.286 63.125 63.200 0.353 0.000 0.766 813 S HN 0.772 nan 8.310 nan 0.000 0.533 814 D N 1.740 122.184 120.400 0.074 0.000 2.183 814 D HA -0.024 4.609 4.640 -0.011 0.000 0.203 814 D C 2.065 178.374 176.300 0.015 0.000 0.969 814 D CA 0.578 54.598 54.000 0.033 0.000 0.842 814 D CB -0.212 40.605 40.800 0.029 0.000 0.957 814 D HN 0.302 nan 8.370 nan 0.000 0.484 815 R N 0.701 121.213 120.500 0.019 0.000 2.062 815 R HA -0.055 4.279 4.340 -0.011 0.000 0.226 815 R C 1.785 178.081 176.300 -0.007 0.000 1.125 815 R CA 1.205 57.301 56.100 -0.007 0.000 0.966 815 R CB -0.543 29.739 30.300 -0.030 0.000 0.861 815 R HN 0.084 nan 8.270 nan 0.000 0.433 816 T N 2.251 116.828 114.554 0.038 0.000 2.684 816 T HA -0.125 4.218 4.350 -0.011 0.000 0.267 816 T C 1.929 176.646 174.700 0.028 0.000 1.036 816 T CA 1.324 63.471 62.100 0.079 0.000 1.148 816 T CB -0.124 68.883 68.868 0.232 0.000 0.863 816 T HN 0.092 nan 8.240 nan 0.000 0.436 817 I N 1.804 122.307 120.570 -0.112 0.000 2.315 817 I HA -0.058 4.105 4.170 -0.011 0.000 0.248 817 I C 2.930 179.007 176.117 -0.067 0.000 1.117 817 I CA 0.835 62.029 61.300 -0.177 0.000 1.404 817 I CB -1.695 36.207 38.000 -0.163 0.000 1.071 817 I HN 0.205 nan 8.210 nan 0.000 0.419 818 A N -0.053 122.744 122.820 -0.038 0.000 1.972 818 A HA -0.232 4.082 4.320 -0.011 0.000 0.219 818 A C 2.263 179.807 177.584 -0.066 0.000 1.169 818 A CA 1.420 53.441 52.037 -0.027 0.000 0.635 818 A CB -0.534 18.455 19.000 -0.018 0.000 0.810 818 A HN 0.505 nan 8.150 nan 0.000 0.446 819 Q N -2.112 117.629 119.800 -0.099 0.000 2.137 819 Q HA -0.116 4.218 4.340 -0.011 0.000 0.198 819 Q C 1.829 177.657 176.000 -0.286 0.000 0.960 819 Q CA 1.342 57.045 55.803 -0.168 0.000 0.847 819 Q CB -0.192 28.436 28.738 -0.184 0.000 0.915 819 Q HN 0.835 nan 8.270 nan 0.000 0.448 820 Y N 0.267 120.275 120.300 -0.486 0.000 2.163 820 Y HA -0.234 4.309 4.550 -0.011 0.000 0.288 820 Y C 2.395 177.713 175.900 -0.970 0.000 1.136 820 Y CA 1.206 58.764 58.100 -0.904 0.000 1.147 820 Y CB -0.321 37.292 38.460 -1.411 0.000 0.987 820 Y HN 0.147 nan 8.280 nan 0.000 0.509 821 A N 0.439 123.027 122.820 -0.387 0.000 1.865 821 A HA -0.230 4.084 4.320 -0.011 0.000 0.217 821 A C 2.246 179.840 177.584 0.015 0.000 1.191 821 A CA 2.087 54.146 52.037 0.036 0.000 0.623 821 A CB -0.553 18.540 19.000 0.156 0.000 0.826 821 A HN 0.419 nan 8.150 nan 0.000 0.444 822 R N -0.676 119.795 120.500 -0.048 0.000 2.075 822 R HA -0.027 4.306 4.340 -0.011 0.000 0.226 822 R C 1.795 178.066 176.300 -0.048 0.000 1.114 822 R CA 1.445 57.528 56.100 -0.029 0.000 0.972 822 R CB -0.231 30.048 30.300 -0.034 0.000 0.869 822 R HN 0.644 nan 8.270 nan 0.000 0.437 823 E N -0.260 119.870 120.200 -0.116 0.000 2.447 823 E HA 0.094 4.437 4.350 -0.011 0.000 0.195 823 E C 1.399 177.939 176.600 -0.100 0.000 1.028 823 E CA 0.441 56.776 56.400 -0.108 0.000 0.876 823 E CB 0.514 30.124 29.700 -0.150 0.000 0.885 823 E HN 0.340 nan 8.360 nan 0.000 0.500 824 I N -1.558 118.920 120.570 -0.153 0.000 4.046 824 I HA 0.035 4.198 4.170 -0.011 0.000 0.285 824 I C 1.292 177.527 176.117 0.197 0.000 1.183 824 I CA -0.071 61.192 61.300 -0.062 0.000 1.337 824 I CB 0.126 37.944 38.000 -0.302 0.000 1.478 824 I HN 0.114 nan 8.210 nan 0.000 0.452 825 W N 1.780 123.168 121.300 0.147 0.000 2.576 825 W HA 0.306 4.959 4.660 -0.011 0.000 0.270 825 W C 1.602 178.151 176.519 0.051 0.000 1.255 825 W CA 1.002 58.412 57.345 0.109 0.000 1.314 825 W CB -0.965 28.546 29.460 0.085 0.000 1.101 825 W HN 0.348 nan 8.180 nan 0.000 0.595 826 G N 0.799 109.734 108.800 0.225 0.000 2.171 826 G HA2 -0.131 3.823 3.960 -0.011 0.000 0.238 826 G HA3 -0.131 3.823 3.960 -0.011 0.000 0.238 826 G C -0.269 174.698 174.900 0.112 0.000 1.039 826 G CA 0.161 45.335 45.100 0.124 0.000 0.759 826 G HN 0.353 nan 8.290 nan 0.000 0.501 827 V N -4.140 115.862 119.914 0.147 0.000 2.914 827 V HA 0.925 5.038 4.120 -0.011 0.000 0.314 827 V C -0.332 175.815 176.094 0.088 0.000 1.084 827 V CA -1.683 60.681 62.300 0.107 0.000 0.963 827 V CB 2.327 34.223 31.823 0.121 0.000 1.025 827 V HN 0.094 nan 8.190 nan 0.000 0.432 828 E N 3.601 123.836 120.200 0.058 0.000 2.109 828 E HA 0.516 4.859 4.350 -0.011 0.000 0.278 828 E C -2.478 174.151 176.600 0.049 0.000 0.954 828 E CA -1.857 54.571 56.400 0.047 0.000 0.779 828 E CB 1.725 31.445 29.700 0.033 0.000 1.093 828 E HN 0.740 nan 8.360 nan 0.000 0.401 829 P HA 0.060 nan 4.420 nan 0.000 0.270 829 P C -0.501 176.823 177.300 0.040 0.000 1.223 829 P CA -0.235 62.893 63.100 0.048 0.000 0.785 829 P CB 0.765 32.490 31.700 0.041 0.000 0.923 830 S N 0.785 116.511 115.700 0.042 0.000 2.603 830 S HA 0.323 4.787 4.470 -0.011 0.000 0.274 830 S C 0.043 174.666 174.600 0.037 0.000 1.168 830 S CA -0.877 57.347 58.200 0.040 0.000 0.963 830 S CB 1.151 64.379 63.200 0.047 0.000 1.078 830 S HN 0.294 nan 8.310 nan 0.000 0.477 831 R N 2.597 123.116 120.500 0.031 0.000 2.721 831 R HA 0.207 4.540 4.340 -0.011 0.000 0.296 831 R C -0.107 176.204 176.300 0.019 0.000 1.174 831 R CA -0.073 56.044 56.100 0.029 0.000 1.129 831 R CB 0.111 30.429 30.300 0.030 0.000 1.316 831 R HN 0.669 nan 8.270 nan 0.000 0.571 832 Q N 0.928 120.739 119.800 0.018 0.000 2.286 832 Q HA 0.176 4.510 4.340 -0.011 0.000 0.257 832 Q C -0.340 175.653 176.000 -0.011 0.000 0.941 832 Q CA -0.293 55.514 55.803 0.007 0.000 0.912 832 Q CB 1.258 30.005 28.738 0.015 0.000 1.192 832 Q HN -0.117 nan 8.270 nan 0.000 0.410 833 R N 1.724 122.210 120.500 -0.023 0.000 2.489 833 R HA 0.078 4.412 4.340 -0.011 0.000 0.287 833 R C -0.621 175.643 176.300 -0.059 0.000 1.053 833 R CA -0.193 55.881 56.100 -0.042 0.000 1.036 833 R CB 0.176 30.450 30.300 -0.043 0.000 0.966 833 R HN 0.408 nan 8.270 nan 0.000 0.432 834 L N 6.522 127.695 121.223 -0.083 0.000 2.439 834 L HA 0.234 4.567 4.340 -0.011 0.000 0.269 834 L C -1.690 175.120 176.870 -0.100 0.000 1.179 834 L CA -1.920 52.839 54.840 -0.135 0.000 0.828 834 L CB 0.595 42.553 42.059 -0.168 0.000 1.106 834 L HN 0.616 nan 8.230 nan 0.000 0.467 835 P HA 0.017 nan 4.420 nan 0.000 0.208 835 P C 0.036 177.310 177.300 -0.044 0.000 1.341 835 P CA 0.620 63.685 63.100 -0.058 0.000 1.235 835 P CB -0.663 31.009 31.700 -0.047 0.000 1.764 836 A N 3.620 126.416 122.820 -0.040 0.000 6.121 836 A HA -0.165 4.149 4.320 -0.011 0.000 0.424 836 A C -2.155 175.417 177.584 -0.020 0.000 2.043 836 A CA -0.011 52.010 52.037 -0.027 0.000 1.677 836 A CB -2.388 16.602 19.000 -0.016 0.000 1.203 836 A HN 0.397 nan 8.150 nan 0.000 0.561 837 P HA 0.000 nan 4.420 nan 0.000 0.216 837 P CA 0.000 63.104 63.100 0.007 0.000 0.800 837 P CB 0.000 31.715 31.700 0.025 0.000 0.726