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 2skc_1_A DATA FIRST_RESID 13 DATA SEQUENCE ISVRGLAGVE NVTELKKNFN RHLHFTLVKD RNVATPRDYY FALAHTVRDH DATA SEQUENCE LVGRWIRTQQ HYYEKDPKRI YYLSLEFYMG RTLQNTMVNL ALENACDEAT DATA SEQUENCE YQLGLDMEEL EEIEEDAGLG NGGLGRLAAC FLDSMATLGL AAYGYGIRYE DATA SEQUENCE FGIFNQKICG GWQMEEADDW LRYGNPWEKA RPEFTLPVHF YGRVEHTSQG DATA SEQUENCE AKWVDTQVVL AMPYDTPVPG YRNNVVNTMR LWSAKAPNDF NLKDFNVGGY DATA SEQUENCE IQAVLDRNLA ENISRVLYPN DNFFEGKELR LKQEYFVVAA TLQDIIRRFK DATA SEQUENCE SSKFGCRDPV RTNFDAFPDK VAIQLNDTHP SLAIPELMRV LVDLERLDWD DATA SEQUENCE KAWEVTVKTC AYTNHTVIPE ALERWPVHLL ETLLPRHLQI IYEINQRFLN DATA SEQUENCE RVAAAFPGDV DRLRRMSLVE EGAVKRINMA HLCIAGSHAV NGVARIHSEI DATA SEQUENCE LKKTIFKDFY ELEPHKFQNK TNGITPRRWL VLCNPGLAEI IAERIGEEYI DATA SEQUENCE SDLDQLRKLL SYVDDEAFIR DVAKVKQENK LKFAAYLERE YKVHINPNSL DATA SEQUENCE FDVQVKRIHE YKRQLLNCLH VITLYNRIKK EPNKFVVPRT VMIGGKAAPG DATA SEQUENCE YHMAKMIIKL ITAIGDVVNH DPVVGDRLRV IFLENYRVSL AEKVIPAADL DATA SEQUENCE SEQISTAGTE ASGTGNMKFM LNGALTIGTM DGANVEMAEE AGEENFFIFG DATA SEQUENCE MRVEDVDRLD QRGYNAQEYY DRIPELRQII EQLSSGFFSP KQPDLFKDIV DATA SEQUENCE NMLMHHDRFK VFADYEEYVK CQERVSALYK NPREWTRMVI RNIATSGKFS DATA SEQUENCE SDRTIAQYAR EIWGVEPSRQ RLPAPDEKIP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 I HA 0.000 nan 4.170 nan 0.000 0.288 13 I C 0.000 176.105 176.117 -0.020 0.000 1.063 13 I CA 0.000 61.279 61.300 -0.036 0.000 1.566 13 I CB 0.000 37.970 38.000 -0.051 0.000 1.214 14 S N -0.210 115.483 115.700 -0.012 0.000 2.664 14 S HA 0.236 4.700 4.470 -0.011 0.000 0.271 14 S C -1.316 173.285 174.600 0.003 0.000 0.950 14 S CA -0.295 57.905 58.200 0.000 0.000 1.008 14 S CB 0.738 63.939 63.200 0.000 0.000 1.279 14 S HN -0.018 nan 8.310 nan 0.000 0.462 15 V N 4.036 123.958 119.914 0.014 0.000 2.443 15 V HA 0.318 4.431 4.120 -0.011 0.000 0.326 15 V C 1.050 177.151 176.094 0.012 0.000 1.580 15 V CA -0.036 62.273 62.300 0.015 0.000 1.629 15 V CB -0.643 31.197 31.823 0.029 0.000 1.471 15 V HN 0.566 nan 8.190 nan 0.000 0.532 16 R N 1.825 122.325 120.500 0.000 0.000 2.555 16 R HA 0.451 4.785 4.340 -0.011 0.000 0.272 16 R C 1.014 177.304 176.300 -0.016 0.000 1.089 16 R CA 0.489 56.586 56.100 -0.004 0.000 1.126 16 R CB 0.422 30.715 30.300 -0.011 0.000 1.250 16 R HN 0.666 nan 8.270 nan 0.000 0.551 17 G N 0.759 109.549 108.800 -0.016 0.000 2.631 17 G HA2 -0.208 3.745 3.960 -0.011 0.000 0.504 17 G HA3 -0.208 3.745 3.960 -0.011 0.000 0.504 17 G C -1.144 173.741 174.900 -0.026 0.000 1.306 17 G CA -1.055 44.028 45.100 -0.028 0.000 0.897 17 G HN 0.040 nan 8.290 nan 0.000 0.520 18 L N 0.628 121.833 121.223 -0.029 0.000 2.312 18 L HA 0.706 5.040 4.340 -0.011 0.000 0.281 18 L C 1.291 178.146 176.870 -0.025 0.000 1.070 18 L CA 0.124 54.950 54.840 -0.024 0.000 0.805 18 L CB 1.141 43.188 42.059 -0.021 0.000 1.174 18 L HN 1.514 nan 8.230 nan 0.000 0.434 19 A N 2.980 125.787 122.820 -0.022 0.000 3.245 19 A HA 0.546 4.859 4.320 -0.011 0.000 0.282 19 A C 0.880 178.457 177.584 -0.012 0.000 1.417 19 A CA -0.254 51.771 52.037 -0.020 0.000 1.149 19 A CB -0.822 18.161 19.000 -0.027 0.000 1.155 19 A HN 0.792 nan 8.150 nan 0.000 0.602 20 G N -0.409 108.386 108.800 -0.009 0.000 2.562 20 G HA2 0.279 4.232 3.960 -0.011 0.000 0.233 20 G HA3 0.279 4.232 3.960 -0.011 0.000 0.233 20 G C 1.026 175.929 174.900 0.005 0.000 1.266 20 G CA 0.100 45.199 45.100 -0.002 0.000 0.852 20 G HN 0.405 nan 8.290 nan 0.000 0.581 21 V N 1.712 121.630 119.914 0.006 0.000 2.261 21 V HA -0.145 3.968 4.120 -0.011 0.000 0.246 21 V C 2.683 178.787 176.094 0.016 0.000 1.047 21 V CA 2.355 64.661 62.300 0.010 0.000 1.015 21 V CB -0.753 31.075 31.823 0.008 0.000 0.642 21 V HN 0.759 nan 8.190 nan 0.000 0.446 22 E N 0.404 120.615 120.200 0.017 0.000 2.110 22 E HA -0.185 4.158 4.350 -0.011 0.000 0.193 22 E C 2.060 178.681 176.600 0.035 0.000 0.988 22 E CA 1.552 57.966 56.400 0.024 0.000 0.804 22 E CB -0.298 29.416 29.700 0.022 0.000 0.745 22 E HN 0.635 nan 8.360 nan 0.000 0.458 23 N N -1.202 117.519 118.700 0.035 0.000 2.300 23 N HA -0.075 4.658 4.740 -0.011 0.000 0.179 23 N C 1.386 176.927 175.510 0.051 0.000 1.016 23 N CA 0.479 53.560 53.050 0.051 0.000 0.876 23 N CB 0.297 38.807 38.487 0.039 0.000 0.979 23 N HN -0.045 nan 8.380 nan 0.000 0.432 24 V N -0.036 119.898 119.914 0.032 0.000 2.515 24 V HA -0.164 3.949 4.120 -0.011 0.000 0.250 24 V C 1.852 177.969 176.094 0.038 0.000 1.058 24 V CA 1.617 63.935 62.300 0.030 0.000 1.064 24 V CB -0.566 31.268 31.823 0.018 0.000 0.675 24 V HN 0.403 nan 8.190 nan 0.000 0.461 25 T N -0.542 114.035 114.554 0.038 0.000 2.857 25 T HA -0.165 4.178 4.350 -0.011 0.000 0.266 25 T C 1.885 176.619 174.700 0.056 0.000 1.048 25 T CA 1.540 63.663 62.100 0.038 0.000 1.139 25 T CB -0.087 68.799 68.868 0.030 0.000 0.874 25 T HN 0.488 nan 8.240 nan 0.000 0.455 26 E N 0.879 121.119 120.200 0.068 0.000 2.072 26 E HA -0.069 4.274 4.350 -0.011 0.000 0.191 26 E C 1.916 178.592 176.600 0.126 0.000 0.985 26 E CA 0.722 57.174 56.400 0.087 0.000 0.801 26 E CB -0.474 29.282 29.700 0.095 0.000 0.750 26 E HN 0.145 nan 8.360 nan 0.000 0.452 27 L N 0.981 122.289 121.223 0.143 0.000 2.012 27 L HA -0.134 4.199 4.340 -0.011 0.000 0.210 27 L C 2.140 179.122 176.870 0.186 0.000 1.073 27 L CA 1.851 56.804 54.840 0.187 0.000 0.748 27 L CB -0.801 41.340 42.059 0.136 0.000 0.891 27 L HN 0.100 nan 8.230 nan 0.000 0.431 28 K N -0.215 120.254 120.400 0.114 0.000 2.063 28 K HA -0.209 4.104 4.320 -0.011 0.000 0.208 28 K C 1.953 178.648 176.600 0.159 0.000 1.048 28 K CA 1.807 58.152 56.287 0.096 0.000 0.928 28 K CB -0.089 32.425 32.500 0.024 0.000 0.713 28 K HN 0.432 nan 8.250 nan 0.000 0.442 29 K N 0.124 120.599 120.400 0.125 0.000 2.155 29 K HA -0.014 4.299 4.320 -0.011 0.000 0.203 29 K C 1.601 178.285 176.600 0.141 0.000 1.052 29 K CA 1.140 57.497 56.287 0.116 0.000 0.948 29 K CB -0.084 32.459 32.500 0.071 0.000 0.728 29 K HN 0.036 nan 8.250 nan 0.000 0.448 30 N N 0.627 119.423 118.700 0.159 0.000 2.270 30 N HA -0.093 4.640 4.740 -0.011 0.000 0.181 30 N C 1.562 177.227 175.510 0.258 0.000 1.016 30 N CA 0.850 53.987 53.050 0.146 0.000 0.870 30 N CB -0.174 38.410 38.487 0.163 0.000 0.979 30 N HN 0.177 nan 8.380 nan 0.000 0.431 31 F N 2.679 122.730 119.950 0.168 0.000 2.134 31 F HA -0.074 4.447 4.527 -0.011 0.000 0.299 31 F C 1.941 177.851 175.800 0.183 0.000 1.097 31 F CA 1.273 59.391 58.000 0.195 0.000 1.264 31 F CB -0.201 38.880 39.000 0.135 0.000 1.001 31 F HN -0.040 nan 8.300 nan 0.000 0.479 32 N N 0.304 119.243 118.700 0.400 0.000 2.270 32 N HA -0.128 4.605 4.740 -0.011 0.000 0.181 32 N C 2.089 177.698 175.510 0.165 0.000 1.016 32 N CA 0.630 53.840 53.050 0.266 0.000 0.870 32 N CB -0.439 38.176 38.487 0.214 0.000 0.979 32 N HN 0.339 nan 8.380 nan 0.000 0.431 33 R N 0.511 121.099 120.500 0.146 0.000 2.070 33 R HA -0.086 4.247 4.340 -0.011 0.000 0.233 33 R C 1.719 178.119 176.300 0.167 0.000 1.137 33 R CA 1.401 57.611 56.100 0.185 0.000 0.945 33 R CB -0.333 29.960 30.300 -0.011 0.000 0.845 33 R HN 0.427 nan 8.270 nan 0.000 0.430 34 H N -0.225 118.901 119.070 0.094 0.000 2.353 34 H HA -0.142 4.408 4.556 -0.011 0.000 0.300 34 H C 1.879 177.157 175.328 -0.084 0.000 1.090 34 H CA 1.468 57.500 56.048 -0.028 0.000 1.327 34 H CB -0.015 29.685 29.762 -0.103 0.000 1.383 34 H HN 0.074 nan 8.280 nan 0.000 0.508 35 L N 0.050 121.278 121.223 0.008 0.000 2.187 35 L HA -0.186 4.147 4.340 -0.011 0.000 0.213 35 L C 2.039 178.910 176.870 0.001 0.000 1.100 35 L CA 1.777 56.591 54.840 -0.042 0.000 0.765 35 L CB -0.371 41.674 42.059 -0.024 0.000 0.904 35 L HN 0.308 nan 8.230 nan 0.000 0.437 36 H N -1.995 117.015 119.070 -0.100 0.000 2.316 36 H HA 0.026 4.576 4.556 -0.011 0.000 0.314 36 H C 1.783 176.916 175.328 -0.325 0.000 1.057 36 H CA 1.879 57.771 56.048 -0.260 0.000 1.402 36 H CB -0.273 29.243 29.762 -0.410 0.000 1.443 36 H HN 0.235 nan 8.280 nan 0.000 0.559 37 F N -0.131 119.820 119.950 0.002 0.000 2.259 37 F HA -0.045 4.475 4.527 -0.011 0.000 0.298 37 F C 2.485 178.218 175.800 -0.112 0.000 1.088 37 F CA 1.472 59.422 58.000 -0.083 0.000 1.358 37 F CB -0.349 38.630 39.000 -0.035 0.000 1.040 37 F HN 0.198 nan 8.300 nan 0.000 0.505 38 T N -0.482 114.109 114.554 0.060 0.000 2.901 38 T HA 0.029 4.372 4.350 -0.011 0.000 0.252 38 T C 1.699 176.308 174.700 -0.152 0.000 1.035 38 T CA 0.628 62.688 62.100 -0.068 0.000 1.142 38 T CB -0.178 68.609 68.868 -0.136 0.000 0.869 38 T HN -0.052 nan 8.240 nan 0.000 0.442 39 L N 1.125 122.262 121.223 -0.144 0.000 2.446 39 L HA 0.273 4.606 4.340 -0.011 0.000 0.219 39 L C 0.700 177.480 176.870 -0.151 0.000 1.116 39 L CA 0.327 55.073 54.840 -0.158 0.000 0.844 39 L CB -0.764 41.215 42.059 -0.134 0.000 0.970 39 L HN 0.061 nan 8.230 nan 0.000 0.457 40 V N 0.153 119.962 119.914 -0.174 0.000 5.949 40 V HA -0.299 3.815 4.120 -0.011 0.000 0.287 40 V C 0.526 176.512 176.094 -0.180 0.000 0.603 40 V CA 0.832 62.998 62.300 -0.224 0.000 0.608 40 V CB -2.097 29.617 31.823 -0.183 0.000 0.259 40 V HN 0.394 nan 8.190 nan 0.000 0.742 41 K N 1.341 121.648 120.400 -0.154 0.000 2.409 41 K HA 0.714 5.027 4.320 -0.011 0.000 0.252 41 K C -0.599 175.977 176.600 -0.040 0.000 1.036 41 K CA -0.555 55.675 56.287 -0.096 0.000 0.871 41 K CB 2.721 35.166 32.500 -0.091 0.000 1.374 41 K HN 0.606 nan 8.250 nan 0.000 0.459 42 D N 0.275 120.672 120.400 -0.005 0.000 2.738 42 D HA 0.265 4.898 4.640 -0.011 0.000 0.237 42 D C 0.545 176.883 176.300 0.064 0.000 1.123 42 D CA -0.600 53.430 54.000 0.051 0.000 0.856 42 D CB 1.601 42.425 40.800 0.041 0.000 1.552 42 D HN 0.175 nan 8.370 nan 0.000 0.480 43 R N 1.243 121.813 120.500 0.117 0.000 2.198 43 R HA -0.175 4.158 4.340 -0.011 0.000 0.258 43 R C 1.163 177.540 176.300 0.129 0.000 1.173 43 R CA 1.106 57.310 56.100 0.174 0.000 0.991 43 R CB -0.775 29.627 30.300 0.169 0.000 0.879 43 R HN 0.607 nan 8.270 nan 0.000 0.460 44 N N 0.491 119.236 118.700 0.075 0.000 2.512 44 N HA -0.074 4.660 4.740 -0.011 0.000 0.183 44 N C 1.321 176.851 175.510 0.034 0.000 1.073 44 N CA 1.380 54.462 53.050 0.054 0.000 0.911 44 N CB 0.374 38.883 38.487 0.036 0.000 0.964 44 N HN 0.209 nan 8.380 nan 0.000 0.447 45 V N -2.883 117.039 119.914 0.014 0.000 3.398 45 V HA 0.448 4.562 4.120 -0.011 0.000 0.298 45 V C 0.712 176.773 176.094 -0.055 0.000 1.496 45 V CA -0.608 61.685 62.300 -0.012 0.000 1.044 45 V CB -0.123 31.688 31.823 -0.020 0.000 0.880 45 V HN 0.018 nan 8.190 nan 0.000 0.443 46 A N 2.184 124.950 122.820 -0.090 0.000 2.488 46 A HA 0.588 4.902 4.320 -0.011 0.000 0.249 46 A C 0.726 178.102 177.584 -0.347 0.000 1.083 46 A CA 0.847 52.706 52.037 -0.297 0.000 0.768 46 A CB -0.056 18.659 19.000 -0.476 0.000 1.017 46 A HN 0.747 nan 8.150 nan 0.000 0.496 47 T N 0.079 114.433 114.554 -0.334 0.000 2.937 47 T HA 0.602 4.945 4.350 -0.011 0.000 0.283 47 T C -2.150 172.447 174.700 -0.172 0.000 1.012 47 T CA -1.805 60.199 62.100 -0.159 0.000 0.997 47 T CB 1.287 70.126 68.868 -0.049 0.000 1.136 47 T HN 0.228 nan 8.240 nan 0.000 0.551 48 P HA -0.059 nan 4.420 nan 0.000 0.217 48 P C 1.521 178.929 177.300 0.181 0.000 1.148 48 P CA 0.886 64.116 63.100 0.217 0.000 0.828 48 P CB 0.050 31.849 31.700 0.165 0.000 0.783 49 R N -0.077 120.484 120.500 0.101 0.000 2.090 49 R HA -0.109 4.224 4.340 -0.011 0.000 0.228 49 R C 1.616 178.097 176.300 0.301 0.000 1.110 49 R CA 1.553 57.759 56.100 0.177 0.000 0.973 49 R CB -0.565 29.789 30.300 0.091 0.000 0.869 49 R HN 0.070 nan 8.270 nan 0.000 0.440 50 D N -0.283 120.173 120.400 0.093 0.000 2.117 50 D HA -0.177 4.456 4.640 -0.011 0.000 0.198 50 D C 1.683 178.015 176.300 0.052 0.000 0.982 50 D CA 1.245 55.260 54.000 0.026 0.000 0.828 50 D CB -0.309 40.364 40.800 -0.213 0.000 0.967 50 D HN 0.271 nan 8.370 nan 0.000 0.464 51 Y N 0.193 120.593 120.300 0.167 0.000 2.224 51 Y HA -0.214 4.330 4.550 -0.011 0.000 0.289 51 Y C 2.331 178.337 175.900 0.176 0.000 1.146 51 Y CA 0.303 58.535 58.100 0.219 0.000 1.182 51 Y CB -1.149 37.511 38.460 0.334 0.000 0.983 51 Y HN 0.109 nan 8.280 nan 0.000 0.524 52 Y N -0.694 119.739 120.300 0.221 0.000 2.181 52 Y HA -0.245 4.299 4.550 -0.011 0.000 0.288 52 Y C 1.854 177.698 175.900 -0.092 0.000 1.146 52 Y CA 1.152 59.275 58.100 0.038 0.000 1.164 52 Y CB -1.010 37.374 38.460 -0.126 0.000 0.982 52 Y HN 0.017 nan 8.280 nan 0.000 0.515 53 F N 0.180 119.877 119.950 -0.422 0.000 2.206 53 F HA -0.017 4.503 4.527 -0.011 0.000 0.298 53 F C 2.628 178.237 175.800 -0.318 0.000 1.090 53 F CA 1.227 58.935 58.000 -0.487 0.000 1.323 53 F CB -1.017 37.887 39.000 -0.159 0.000 1.028 53 F HN 0.176 nan 8.300 nan 0.000 0.492 54 A N -0.101 122.630 122.820 -0.149 0.000 1.883 54 A HA -0.189 4.124 4.320 -0.011 0.000 0.217 54 A C 2.120 179.534 177.584 -0.284 0.000 1.186 54 A CA 1.675 53.498 52.037 -0.357 0.000 0.624 54 A CB -1.112 17.319 19.000 -0.948 0.000 0.822 54 A HN 0.330 nan 8.150 nan 0.000 0.444 55 L N -0.210 120.933 121.223 -0.134 0.000 2.017 55 L HA -0.064 4.270 4.340 -0.011 0.000 0.208 55 L C 2.732 179.562 176.870 -0.067 0.000 1.073 55 L CA 2.282 57.194 54.840 0.120 0.000 0.745 55 L CB -0.949 41.261 42.059 0.253 0.000 0.894 55 L HN 0.357 nan 8.230 nan 0.000 0.432 56 A N -1.357 121.247 122.820 -0.361 0.000 1.908 56 A HA -0.304 4.009 4.320 -0.011 0.000 0.218 56 A C 2.161 179.385 177.584 -0.600 0.000 1.181 56 A CA 2.139 53.847 52.037 -0.548 0.000 0.627 56 A CB -1.130 17.214 19.000 -1.094 0.000 0.818 56 A HN 0.697 nan 8.150 nan 0.000 0.445 57 H N -1.084 117.663 119.070 -0.540 0.000 2.423 57 H HA -0.035 4.515 4.556 -0.011 0.000 0.297 57 H C 2.283 177.329 175.328 -0.471 0.000 1.075 57 H CA 1.870 57.531 56.048 -0.646 0.000 1.342 57 H CB -0.017 29.115 29.762 -1.049 0.000 1.395 57 H HN 0.473 nan 8.280 nan 0.000 0.530 58 T N -0.564 113.928 114.554 -0.104 0.000 2.812 58 T HA -0.102 4.242 4.350 -0.011 0.000 0.264 58 T C 2.216 177.088 174.700 0.288 0.000 1.042 58 T CA 1.159 63.390 62.100 0.219 0.000 1.140 58 T CB -0.266 68.792 68.868 0.317 0.000 0.870 58 T HN 0.094 nan 8.240 nan 0.000 0.445 59 V N 1.663 121.708 119.914 0.218 0.000 2.453 59 V HA -0.081 4.032 4.120 -0.011 0.000 0.247 59 V C 2.620 178.901 176.094 0.311 0.000 1.048 59 V CA 1.424 63.897 62.300 0.287 0.000 1.049 59 V CB -0.585 31.399 31.823 0.268 0.000 0.672 59 V HN 0.370 nan 8.190 nan 0.000 0.457 60 R N 0.174 120.806 120.500 0.220 0.000 2.120 60 R HA -0.204 4.130 4.340 -0.011 0.000 0.234 60 R C 1.855 178.266 176.300 0.185 0.000 1.123 60 R CA 1.876 58.112 56.100 0.227 0.000 0.975 60 R CB -0.381 29.905 30.300 -0.023 0.000 0.866 60 R HN 0.446 nan 8.270 nan 0.000 0.446 61 D N -0.015 120.481 120.400 0.160 0.000 2.144 61 D HA -0.154 4.479 4.640 -0.011 0.000 0.199 61 D C 1.647 177.975 176.300 0.046 0.000 0.984 61 D CA 1.079 55.143 54.000 0.106 0.000 0.834 61 D CB -0.307 40.545 40.800 0.087 0.000 0.955 61 D HN 0.440 nan 8.370 nan 0.000 0.465 62 H N -0.342 118.795 119.070 0.110 0.000 2.524 62 H HA 0.011 4.560 4.556 -0.011 0.000 0.282 62 H C 1.910 177.280 175.328 0.071 0.000 1.016 62 H CA 0.637 56.734 56.048 0.081 0.000 1.270 62 H CB 0.415 30.217 29.762 0.067 0.000 1.394 62 H HN 0.260 nan 8.280 nan 0.000 0.568 63 L N -1.258 120.076 121.223 0.185 0.000 2.766 63 L HA 0.169 4.503 4.340 -0.011 0.000 0.242 63 L C 1.848 178.827 176.870 0.182 0.000 1.136 63 L CA -0.011 54.906 54.840 0.127 0.000 0.933 63 L CB 0.029 42.115 42.059 0.045 0.000 1.241 63 L HN -0.124 nan 8.230 nan 0.000 0.522 64 V N -2.309 117.734 119.914 0.215 0.000 2.453 64 V HA 0.111 4.225 4.120 -0.011 0.000 0.247 64 V C 2.475 178.695 176.094 0.209 0.000 1.048 64 V CA 1.496 63.976 62.300 0.299 0.000 1.049 64 V CB -1.626 30.335 31.823 0.230 0.000 0.672 64 V HN 0.358 nan 8.190 nan 0.000 0.457 65 G N 0.205 109.081 108.800 0.127 0.000 2.418 65 G HA2 -0.207 3.746 3.960 -0.011 0.000 0.217 65 G HA3 -0.207 3.746 3.960 -0.011 0.000 0.217 65 G C 1.811 176.761 174.900 0.083 0.000 1.158 65 G CA 0.876 46.023 45.100 0.079 0.000 0.771 65 G HN 0.483 nan 8.290 nan 0.000 0.545 66 R N -1.464 119.096 120.500 0.099 0.000 2.115 66 R HA -0.042 4.291 4.340 -0.011 0.000 0.226 66 R C 2.231 178.612 176.300 0.135 0.000 1.100 66 R CA 0.900 57.045 56.100 0.074 0.000 0.980 66 R CB -0.302 30.026 30.300 0.046 0.000 0.875 66 R HN 0.474 nan 8.270 nan 0.000 0.445 67 W N 1.405 122.685 121.300 -0.033 0.000 2.358 67 W HA -0.078 4.575 4.660 -0.011 0.000 0.303 67 W C 1.615 178.105 176.519 -0.048 0.000 1.208 67 W CA 0.945 58.266 57.345 -0.040 0.000 1.274 67 W CB -0.525 28.932 29.460 -0.005 0.000 1.138 67 W HN -0.029 nan 8.180 nan 0.000 0.515 68 I N 0.894 121.511 120.570 0.079 0.000 2.252 68 I HA -0.319 3.844 4.170 -0.011 0.000 0.245 68 I C 2.589 178.682 176.117 -0.040 0.000 1.102 68 I CA 1.682 62.945 61.300 -0.061 0.000 1.385 68 I CB -0.426 37.548 38.000 -0.043 0.000 1.064 68 I HN -0.032 nan 8.210 nan 0.000 0.414 69 R N -0.176 120.319 120.500 -0.008 0.000 2.119 69 R HA -0.011 4.322 4.340 -0.011 0.000 0.222 69 R C 2.015 178.275 176.300 -0.066 0.000 1.088 69 R CA 1.406 57.495 56.100 -0.018 0.000 0.984 69 R CB -1.156 29.138 30.300 -0.011 0.000 0.884 69 R HN 0.196 nan 8.270 nan 0.000 0.447 70 T N 1.654 116.139 114.554 -0.115 0.000 2.708 70 T HA -0.110 4.233 4.350 -0.011 0.000 0.266 70 T C 1.842 176.242 174.700 -0.499 0.000 1.037 70 T CA 1.277 63.185 62.100 -0.319 0.000 1.146 70 T CB -0.102 68.625 68.868 -0.235 0.000 0.865 70 T HN 0.188 nan 8.240 nan 0.000 0.435 71 Q N 0.728 120.389 119.800 -0.232 0.000 2.119 71 Q HA -0.052 4.282 4.340 -0.011 0.000 0.201 71 Q C 2.372 178.375 176.000 0.005 0.000 0.972 71 Q CA 1.227 56.966 55.803 -0.106 0.000 0.847 71 Q CB -0.534 28.168 28.738 -0.062 0.000 0.903 71 Q HN 0.470 nan 8.270 nan 0.000 0.433 72 Q N 0.165 119.964 119.800 -0.002 0.000 2.079 72 Q HA -0.178 4.155 4.340 -0.011 0.000 0.200 72 Q C 1.885 177.975 176.000 0.149 0.000 0.974 72 Q CA 1.991 57.843 55.803 0.081 0.000 0.840 72 Q CB -0.470 28.294 28.738 0.044 0.000 0.898 72 Q HN 0.560 nan 8.270 nan 0.000 0.430 73 H N -0.865 118.185 119.070 -0.033 0.000 2.265 73 H HA -0.205 4.345 4.556 -0.011 0.000 0.295 73 H C 1.273 176.676 175.328 0.124 0.000 1.084 73 H CA 2.506 58.547 56.048 -0.011 0.000 1.261 73 H CB -0.396 29.292 29.762 -0.123 0.000 1.360 73 H HN 0.362 nan 8.280 nan 0.000 0.487 74 Y N -1.011 119.393 120.300 0.173 0.000 2.315 74 Y HA -0.220 4.323 4.550 -0.011 0.000 0.288 74 Y C 2.394 178.348 175.900 0.090 0.000 1.154 74 Y CA 1.066 59.232 58.100 0.111 0.000 1.229 74 Y CB -1.255 37.306 38.460 0.168 0.000 0.980 74 Y HN 0.432 nan 8.280 nan 0.000 0.540 75 Y N 0.918 121.313 120.300 0.159 0.000 2.286 75 Y HA -0.091 4.453 4.550 -0.011 0.000 0.293 75 Y C 1.997 177.912 175.900 0.026 0.000 1.124 75 Y CA 1.292 59.444 58.100 0.087 0.000 1.178 75 Y CB -0.008 38.488 38.460 0.059 0.000 1.010 75 Y HN 0.014 nan 8.280 nan 0.000 0.536 76 E N 0.357 120.489 120.200 -0.114 0.000 2.008 76 E HA -0.132 4.211 4.350 -0.011 0.000 0.191 76 E C 1.966 178.431 176.600 -0.226 0.000 0.986 76 E CA 0.995 57.264 56.400 -0.218 0.000 0.807 76 E CB -0.209 29.423 29.700 -0.112 0.000 0.766 76 E HN 0.304 nan 8.360 nan 0.000 0.450 77 K N 0.934 121.195 120.400 -0.233 0.000 2.148 77 K HA -0.112 4.201 4.320 -0.011 0.000 0.204 77 K C 0.201 176.742 176.600 -0.098 0.000 1.050 77 K CA 0.707 56.883 56.287 -0.184 0.000 0.942 77 K CB -0.584 31.762 32.500 -0.257 0.000 0.724 77 K HN 0.137 nan 8.250 nan 0.000 0.446 78 D N 0.321 120.683 120.400 -0.064 0.000 2.812 78 D HA -0.104 4.529 4.640 -0.011 0.000 0.237 78 D C -2.391 173.912 176.300 0.006 0.000 1.162 78 D CA 0.116 54.104 54.000 -0.020 0.000 0.740 78 D CB -0.204 40.561 40.800 -0.057 0.000 1.000 78 D HN 0.166 nan 8.370 nan 0.000 0.416 79 P HA 0.200 nan 4.420 nan 0.000 0.284 79 P C -0.329 176.952 177.300 -0.031 0.000 1.292 79 P CA -0.768 62.323 63.100 -0.015 0.000 0.800 79 P CB 0.607 32.288 31.700 -0.033 0.000 1.188 80 K N 0.841 121.221 120.400 -0.034 0.000 2.412 80 K HA 0.076 4.389 4.320 -0.011 0.000 0.281 80 K C -0.158 176.365 176.600 -0.128 0.000 1.027 80 K CA -0.045 56.210 56.287 -0.053 0.000 0.989 80 K CB 0.197 32.680 32.500 -0.028 0.000 0.935 80 K HN 0.209 nan 8.250 nan 0.000 0.475 81 R N 3.781 124.184 120.500 -0.162 0.000 2.368 81 R HA 0.339 4.673 4.340 -0.011 0.000 0.302 81 R C -0.568 175.458 176.300 -0.457 0.000 1.002 81 R CA -0.434 55.490 56.100 -0.292 0.000 0.929 81 R CB 0.818 30.935 30.300 -0.305 0.000 1.073 81 R HN 0.521 nan 8.270 nan 0.000 0.464 82 I N 4.703 124.965 120.570 -0.513 0.000 2.330 82 I HA 0.221 4.384 4.170 -0.011 0.000 0.289 82 I C -0.684 175.152 176.117 -0.468 0.000 1.001 82 I CA -0.765 60.180 61.300 -0.591 0.000 1.193 82 I CB 0.808 38.342 38.000 -0.777 0.000 1.345 82 I HN 0.516 nan 8.210 nan 0.000 0.461 83 Y N 5.808 126.075 120.300 -0.055 0.000 2.369 83 Y HA 0.279 4.823 4.550 -0.011 0.000 0.337 83 Y C -0.230 175.768 175.900 0.163 0.000 0.961 83 Y CA -0.718 57.472 58.100 0.149 0.000 1.186 83 Y CB 1.109 39.606 38.460 0.062 0.000 1.139 83 Y HN 0.405 nan 8.280 nan 0.000 0.494 84 Y N 4.685 125.179 120.300 0.322 0.000 2.594 84 Y HA 0.457 5.000 4.550 -0.011 0.000 0.342 84 Y C -1.110 175.064 175.900 0.457 0.000 1.010 84 Y CA -0.913 57.384 58.100 0.328 0.000 1.270 84 Y CB 0.166 38.822 38.460 0.327 0.000 1.125 84 Y HN 0.534 nan 8.280 nan 0.000 0.513 85 L N 4.700 126.005 121.223 0.137 0.000 2.290 85 L HA 0.446 4.780 4.340 -0.011 0.000 0.284 85 L C -0.087 176.822 176.870 0.066 0.000 1.078 85 L CA 0.352 55.317 54.840 0.208 0.000 0.815 85 L CB 1.224 43.358 42.059 0.125 0.000 1.162 85 L HN 0.577 nan 8.230 nan 0.000 0.435 86 S N 2.474 118.287 115.700 0.188 0.000 2.537 86 S HA 0.472 4.936 4.470 -0.011 0.000 0.270 86 S C 0.086 174.751 174.600 0.108 0.000 1.142 86 S CA -0.545 57.656 58.200 0.001 0.000 0.870 86 S CB 0.985 63.973 63.200 -0.354 0.000 1.112 86 S HN 0.461 nan 8.310 nan 0.000 0.466 87 L N 2.670 124.002 121.223 0.181 0.000 2.592 87 L HA 0.476 4.810 4.340 -0.011 0.000 0.227 87 L C 0.320 177.359 176.870 0.282 0.000 1.127 87 L CA 0.916 55.929 54.840 0.288 0.000 0.884 87 L CB 0.022 42.271 42.059 0.317 0.000 1.065 87 L HN 0.648 nan 8.230 nan 0.000 0.457 88 E N -1.234 118.996 120.200 0.050 0.000 2.256 88 E HA 0.396 4.739 4.350 -0.011 0.000 0.268 88 E C -1.431 175.017 176.600 -0.252 0.000 0.877 88 E CA -0.437 55.976 56.400 0.021 0.000 0.757 88 E CB 1.790 31.499 29.700 0.015 0.000 1.183 88 E HN -0.181 nan 8.360 nan 0.000 0.418 89 F N 2.333 122.386 119.950 0.172 0.000 2.810 89 F HA 0.173 4.694 4.527 -0.011 0.000 0.373 89 F C -0.838 175.046 175.800 0.139 0.000 1.174 89 F CA -0.681 57.411 58.000 0.152 0.000 1.141 89 F CB 0.776 39.858 39.000 0.138 0.000 1.420 89 F HN 0.499 nan 8.300 nan 0.000 0.518 90 Y N 4.941 125.317 120.300 0.127 0.000 2.570 90 Y HA 0.159 4.703 4.550 -0.011 0.000 0.336 90 Y C 1.192 177.115 175.900 0.038 0.000 1.284 90 Y CA -0.792 57.333 58.100 0.042 0.000 1.761 90 Y CB 0.188 38.654 38.460 0.010 0.000 1.724 90 Y HN 0.502 nan 8.280 nan 0.000 0.455 91 M N 0.941 120.667 119.600 0.211 0.000 2.156 91 M HA 0.081 4.554 4.480 -0.011 0.000 0.264 91 M C 1.591 177.867 176.300 -0.040 0.000 1.067 91 M CA 1.288 56.622 55.300 0.057 0.000 1.131 91 M CB -1.302 31.307 32.600 0.015 0.000 1.368 91 M HN 0.634 nan 8.290 nan 0.000 0.416 92 G N 0.631 109.413 108.800 -0.029 0.000 2.584 92 G HA2 -0.244 3.709 3.960 -0.011 0.000 0.229 92 G HA3 -0.244 3.709 3.960 -0.011 0.000 0.229 92 G C -0.491 174.366 174.900 -0.072 0.000 1.320 92 G CA -0.376 44.672 45.100 -0.087 0.000 0.891 92 G HN 0.432 nan 8.290 nan 0.000 0.573 93 R N -0.459 119.982 120.500 -0.097 0.000 2.582 93 R HA 0.565 4.898 4.340 -0.011 0.000 0.271 93 R C 1.536 177.730 176.300 -0.177 0.000 1.078 93 R CA 0.449 56.504 56.100 -0.075 0.000 1.127 93 R CB 0.894 31.153 30.300 -0.068 0.000 1.038 93 R HN 0.881 nan 8.270 nan 0.000 0.500 94 T N 0.083 114.484 114.554 -0.254 0.000 3.043 94 T HA 0.047 4.390 4.350 -0.011 0.000 0.272 94 T C 1.162 175.478 174.700 -0.640 0.000 0.990 94 T CA -0.239 61.521 62.100 -0.567 0.000 0.897 94 T CB 0.186 68.474 68.868 -0.967 0.000 1.111 94 T HN 0.334 nan 8.240 nan 0.000 0.529 95 L N 1.785 122.892 121.223 -0.194 0.000 1.973 95 L HA 0.179 4.512 4.340 -0.011 0.000 0.208 95 L C 2.616 179.465 176.870 -0.034 0.000 1.073 95 L CA 2.234 57.115 54.840 0.068 0.000 0.746 95 L CB -0.982 41.307 42.059 0.383 0.000 0.891 95 L HN 0.382 nan 8.230 nan 0.000 0.433 96 Q N -0.572 119.205 119.800 -0.038 0.000 2.061 96 Q HA -0.275 4.058 4.340 -0.011 0.000 0.204 96 Q C 2.224 178.156 176.000 -0.113 0.000 0.984 96 Q CA 2.052 57.820 55.803 -0.058 0.000 0.846 96 Q CB -0.403 28.296 28.738 -0.065 0.000 0.902 96 Q HN 0.696 nan 8.270 nan 0.000 0.421 97 N N -1.035 117.558 118.700 -0.178 0.000 2.205 97 N HA -0.146 4.587 4.740 -0.011 0.000 0.186 97 N C 1.255 176.658 175.510 -0.179 0.000 1.015 97 N CA 1.746 54.678 53.050 -0.197 0.000 0.862 97 N CB 0.059 38.394 38.487 -0.254 0.000 0.986 97 N HN 0.251 nan 8.380 nan 0.000 0.429 98 T N 0.912 115.332 114.554 -0.224 0.000 2.857 98 T HA 0.025 4.369 4.350 -0.011 0.000 0.266 98 T C 2.047 176.686 174.700 -0.103 0.000 1.048 98 T CA 0.699 62.681 62.100 -0.197 0.000 1.139 98 T CB 0.042 68.747 68.868 -0.272 0.000 0.874 98 T HN 0.242 nan 8.240 nan 0.000 0.455 99 M N 0.562 120.118 119.600 -0.074 0.000 2.099 99 M HA -0.078 4.396 4.480 -0.011 0.000 0.262 99 M C 2.464 178.732 176.300 -0.052 0.000 1.067 99 M CA 1.273 56.544 55.300 -0.050 0.000 1.124 99 M CB -0.570 32.017 32.600 -0.023 0.000 1.353 99 M HN 0.092 nan 8.290 nan 0.000 0.410 100 V N 1.023 120.911 119.914 -0.043 0.000 2.287 100 V HA -0.284 3.829 4.120 -0.011 0.000 0.248 100 V C 1.774 177.890 176.094 0.037 0.000 1.053 100 V CA 1.932 64.232 62.300 0.000 0.000 1.027 100 V CB -0.875 30.942 31.823 -0.010 0.000 0.646 100 V HN 0.478 nan 8.190 nan 0.000 0.447 101 N N -0.464 118.243 118.700 0.011 0.000 2.459 101 N HA -0.033 4.700 4.740 -0.011 0.000 0.181 101 N C 1.034 176.464 175.510 -0.133 0.000 1.046 101 N CA 0.671 53.719 53.050 -0.003 0.000 0.904 101 N CB -0.036 38.447 38.487 -0.006 0.000 0.964 101 N HN 0.282 nan 8.380 nan 0.000 0.444 102 L N -0.230 120.927 121.223 -0.110 0.000 2.693 102 L HA 0.414 4.748 4.340 -0.011 0.000 0.235 102 L C 0.453 177.247 176.870 -0.126 0.000 1.127 102 L CA -0.316 54.454 54.840 -0.116 0.000 0.914 102 L CB -0.795 41.214 42.059 -0.083 0.000 1.193 102 L HN 0.080 nan 8.230 nan 0.000 0.502 103 A N -0.388 122.358 122.820 -0.123 0.000 2.791 103 A HA -0.222 4.092 4.320 -0.011 0.000 0.292 103 A C 1.059 178.589 177.584 -0.090 0.000 1.487 103 A CA 0.993 52.968 52.037 -0.103 0.000 0.760 103 A CB -1.883 17.042 19.000 -0.124 0.000 1.031 103 A HN 0.239 nan 8.150 nan 0.000 0.503 104 L N -1.021 120.148 121.223 -0.090 0.000 2.731 104 L HA 0.262 4.596 4.340 -0.011 0.000 0.240 104 L C 1.819 178.652 176.870 -0.062 0.000 1.120 104 L CA 1.492 56.270 54.840 -0.102 0.000 0.913 104 L CB -0.193 41.775 42.059 -0.152 0.000 1.213 104 L HN 0.613 nan 8.230 nan 0.000 0.515 105 E N -0.164 120.011 120.200 -0.042 0.000 2.070 105 E HA -0.259 4.085 4.350 -0.011 0.000 0.197 105 E C 1.547 178.135 176.600 -0.020 0.000 1.004 105 E CA 1.598 57.984 56.400 -0.024 0.000 0.805 105 E CB 0.248 29.936 29.700 -0.019 0.000 0.744 105 E HN 0.401 nan 8.360 nan 0.000 0.451 106 N N -0.225 118.459 118.700 -0.027 0.000 2.171 106 N HA -0.077 4.656 4.740 -0.011 0.000 0.184 106 N C 1.499 176.993 175.510 -0.027 0.000 1.021 106 N CA 1.182 54.215 53.050 -0.028 0.000 0.854 106 N CB -0.346 38.123 38.487 -0.030 0.000 0.994 106 N HN 0.217 nan 8.380 nan 0.000 0.426 107 A N 0.181 122.983 122.820 -0.029 0.000 1.902 107 A HA -0.141 4.173 4.320 -0.011 0.000 0.217 107 A C 2.618 180.196 177.584 -0.010 0.000 1.181 107 A CA 1.284 53.308 52.037 -0.023 0.000 0.623 107 A CB -0.995 17.984 19.000 -0.034 0.000 0.818 107 A HN 0.431 nan 8.150 nan 0.000 0.443 108 C N -0.956 118.338 119.300 -0.010 0.000 2.457 108 C HA -0.048 4.405 4.460 -0.011 0.000 0.278 108 C C 2.468 177.467 174.990 0.014 0.000 1.309 108 C CA 1.046 60.072 59.018 0.013 0.000 1.735 108 C CB -1.000 26.757 27.740 0.028 0.000 1.992 108 C HN 0.672 nan 8.230 nan 0.000 0.493 109 D N 0.683 121.087 120.400 0.008 0.000 2.097 109 D HA -0.134 4.499 4.640 -0.011 0.000 0.195 109 D C 2.121 178.435 176.300 0.024 0.000 0.989 109 D CA 1.480 55.488 54.000 0.013 0.000 0.827 109 D CB -0.232 40.563 40.800 -0.009 0.000 0.966 109 D HN 0.463 nan 8.370 nan 0.000 0.456 110 E N 0.525 120.726 120.200 0.001 0.000 2.017 110 E HA -0.092 4.251 4.350 -0.011 0.000 0.193 110 E C 1.933 178.572 176.600 0.065 0.000 0.997 110 E CA 1.832 58.242 56.400 0.017 0.000 0.804 110 E CB -0.673 29.021 29.700 -0.010 0.000 0.757 110 E HN 0.183 nan 8.360 nan 0.000 0.448 111 A N -0.149 122.681 122.820 0.018 0.000 1.917 111 A HA -0.254 4.060 4.320 -0.011 0.000 0.219 111 A C 2.503 180.030 177.584 -0.094 0.000 1.182 111 A CA 3.143 55.169 52.037 -0.020 0.000 0.633 111 A CB -1.558 17.433 19.000 -0.014 0.000 0.819 111 A HN 0.552 nan 8.150 nan 0.000 0.448 112 T N -3.903 110.592 114.554 -0.099 0.000 2.904 112 T HA -0.181 4.162 4.350 -0.011 0.000 0.267 112 T C 1.815 176.437 174.700 -0.130 0.000 1.059 112 T CA 1.437 63.414 62.100 -0.205 0.000 1.137 112 T CB -0.550 68.242 68.868 -0.127 0.000 0.879 112 T HN 0.502 nan 8.240 nan 0.000 0.467 113 Y N 2.113 122.336 120.300 -0.128 0.000 2.145 113 Y HA -0.088 4.456 4.550 -0.010 0.000 0.286 113 Y C 2.649 178.487 175.900 -0.105 0.000 1.145 113 Y CA 1.599 59.642 58.100 -0.096 0.000 1.148 113 Y CB -0.461 37.962 38.460 -0.062 0.000 0.981 113 Y HN 0.210 nan 8.280 nan 0.000 0.507 114 Q N -0.777 119.011 119.800 -0.020 0.000 2.291 114 Q HA -0.126 4.207 4.340 -0.011 0.000 0.205 114 Q C 1.522 177.409 176.000 -0.188 0.000 0.970 114 Q CA 0.785 56.528 55.803 -0.100 0.000 0.876 114 Q CB -0.049 28.691 28.738 0.003 0.000 0.935 114 Q HN 0.362 nan 8.270 nan 0.000 0.455 115 L N -0.866 120.216 121.223 -0.235 0.000 2.591 115 L HA 0.130 4.463 4.340 -0.011 0.000 0.228 115 L C 1.129 177.820 176.870 -0.299 0.000 1.133 115 L CA 1.264 55.930 54.840 -0.291 0.000 0.880 115 L CB -0.484 41.284 42.059 -0.485 0.000 1.033 115 L HN 0.332 nan 8.230 nan 0.000 0.450 116 G N -0.159 108.454 108.800 -0.312 0.000 2.160 116 G HA2 -0.251 3.702 3.960 -0.011 0.000 0.244 116 G HA3 -0.251 3.702 3.960 -0.011 0.000 0.244 116 G C 0.086 174.832 174.900 -0.256 0.000 1.022 116 G CA 0.405 45.326 45.100 -0.299 0.000 0.741 116 G HN 0.308 nan 8.290 nan 0.000 0.508 117 L N -0.458 120.615 121.223 -0.250 0.000 2.323 117 L HA 0.662 4.995 4.340 -0.011 0.000 0.265 117 L C -0.500 176.331 176.870 -0.065 0.000 1.012 117 L CA -1.229 53.504 54.840 -0.178 0.000 0.820 117 L CB 1.810 43.713 42.059 -0.260 0.000 1.334 117 L HN 0.063 nan 8.230 nan 0.000 0.427 118 D N 1.483 121.880 120.400 -0.005 0.000 2.329 118 D HA 0.195 4.828 4.640 -0.011 0.000 0.232 118 D C 0.546 176.882 176.300 0.059 0.000 1.088 118 D CA -0.292 53.734 54.000 0.044 0.000 0.835 118 D CB 1.671 42.502 40.800 0.051 0.000 1.078 118 D HN 0.520 nan 8.370 nan 0.000 0.495 119 M N 3.304 122.943 119.600 0.064 0.000 2.117 119 M HA -0.135 4.338 4.480 -0.011 0.000 0.262 119 M C 1.427 177.776 176.300 0.082 0.000 1.065 119 M CA 1.527 56.874 55.300 0.078 0.000 1.114 119 M CB 0.177 32.816 32.600 0.066 0.000 1.361 119 M HN 0.423 nan 8.290 nan 0.000 0.408 120 E N -0.213 120.026 120.200 0.065 0.000 2.153 120 E HA -0.266 4.077 4.350 -0.011 0.000 0.194 120 E C 1.850 178.488 176.600 0.062 0.000 0.988 120 E CA 1.450 57.885 56.400 0.058 0.000 0.811 120 E CB -0.141 29.590 29.700 0.053 0.000 0.746 120 E HN 0.641 nan 8.360 nan 0.000 0.466 121 E N 0.205 120.446 120.200 0.069 0.000 2.152 121 E HA -0.174 4.169 4.350 -0.011 0.000 0.192 121 E C 1.822 178.468 176.600 0.075 0.000 0.983 121 E CA 0.451 56.891 56.400 0.067 0.000 0.818 121 E CB 0.225 29.967 29.700 0.070 0.000 0.758 121 E HN 0.085 nan 8.360 nan 0.000 0.467 122 L N 1.129 122.418 121.223 0.111 0.000 2.179 122 L HA -0.053 4.280 4.340 -0.011 0.000 0.208 122 L C 1.995 178.928 176.870 0.105 0.000 1.096 122 L CA 1.475 56.413 54.840 0.164 0.000 0.779 122 L CB -0.446 41.765 42.059 0.252 0.000 0.922 122 L HN 0.090 nan 8.230 nan 0.000 0.443 123 E N -0.601 119.649 120.200 0.085 0.000 2.110 123 E HA -0.195 4.148 4.350 -0.011 0.000 0.193 123 E C 1.820 178.378 176.600 -0.070 0.000 0.988 123 E CA 0.822 57.241 56.400 0.031 0.000 0.804 123 E CB 0.086 29.812 29.700 0.043 0.000 0.745 123 E HN 0.360 nan 8.360 nan 0.000 0.458 124 E N 0.144 120.322 120.200 -0.038 0.000 2.338 124 E HA -0.135 4.208 4.350 -0.011 0.000 0.197 124 E C 1.813 178.345 176.600 -0.113 0.000 1.007 124 E CA 0.617 56.993 56.400 -0.040 0.000 0.849 124 E CB 0.031 29.741 29.700 0.017 0.000 0.774 124 E HN 0.405 nan 8.360 nan 0.000 0.506 125 I N 0.828 121.270 120.570 -0.213 0.000 2.761 125 I HA -0.100 4.064 4.170 -0.011 0.000 0.261 125 I C 1.318 177.114 176.117 -0.536 0.000 1.198 125 I CA 0.201 61.309 61.300 -0.320 0.000 1.482 125 I CB 0.149 37.976 38.000 -0.289 0.000 1.100 125 I HN -0.044 nan 8.210 nan 0.000 0.445 126 E N 2.393 122.160 120.200 -0.721 0.000 2.366 126 E HA -0.048 4.295 4.350 -0.011 0.000 0.266 126 E C 0.033 176.522 176.600 -0.186 0.000 1.015 126 E CA -0.172 55.848 56.400 -0.633 0.000 0.906 126 E CB 0.581 30.023 29.700 -0.431 0.000 0.979 126 E HN 0.098 nan 8.360 nan 0.000 0.443 127 E N 3.180 123.361 120.200 -0.032 0.000 2.366 127 E HA 0.051 4.395 4.350 -0.011 0.000 0.266 127 E C -1.045 175.655 176.600 0.167 0.000 1.051 127 E CA -0.286 56.186 56.400 0.120 0.000 0.884 127 E CB 0.765 30.616 29.700 0.252 0.000 1.006 127 E HN 0.390 nan 8.360 nan 0.000 0.417 128 D N 1.486 121.965 120.400 0.133 0.000 2.372 128 D HA 0.286 4.919 4.640 -0.011 0.000 0.243 128 D C -0.895 175.454 176.300 0.082 0.000 1.121 128 D CA 0.226 54.277 54.000 0.085 0.000 0.898 128 D CB 0.987 41.816 40.800 0.049 0.000 1.202 128 D HN 0.439 nan 8.370 nan 0.000 0.428 129 A N 2.041 124.856 122.820 -0.008 0.000 2.798 129 A HA 0.489 4.802 4.320 -0.011 0.000 0.316 129 A C 0.854 178.299 177.584 -0.233 0.000 1.506 129 A CA -0.497 51.359 52.037 -0.301 0.000 1.162 129 A CB -0.201 18.698 19.000 -0.169 0.000 1.138 129 A HN 0.519 nan 8.150 nan 0.000 0.532 130 G N 1.818 110.440 108.800 -0.296 0.000 3.741 130 G HA2 0.414 4.367 3.960 -0.011 0.000 0.263 130 G HA3 0.414 4.367 3.960 -0.011 0.000 0.263 130 G C 0.288 174.993 174.900 -0.325 0.000 1.175 130 G CA -0.270 44.752 45.100 -0.129 0.000 1.642 130 G HN 0.678 nan 8.290 nan 0.000 0.644 131 L N 1.398 122.470 121.223 -0.251 0.000 2.939 131 L HA 0.391 4.724 4.340 -0.011 0.000 0.239 131 L C 1.032 177.837 176.870 -0.108 0.000 1.325 131 L CA -0.266 54.518 54.840 -0.094 0.000 1.170 131 L CB -0.289 41.830 42.059 0.100 0.000 1.538 131 L HN 0.308 nan 8.230 nan 0.000 0.452 132 G N -1.288 107.215 108.800 -0.494 0.000 2.684 132 G HA2 0.236 4.190 3.960 -0.011 0.000 0.290 132 G HA3 0.236 4.190 3.960 -0.011 0.000 0.290 132 G C -0.190 174.200 174.900 -0.850 0.000 1.425 132 G CA -0.429 44.317 45.100 -0.590 0.000 0.822 132 G HN -0.071 nan 8.290 nan 0.000 0.482 133 N N -0.853 117.587 118.700 -0.433 0.000 2.508 133 N HA 0.216 4.950 4.740 -0.011 0.000 0.186 133 N C 1.142 176.616 175.510 -0.060 0.000 1.034 133 N CA 1.234 54.137 53.050 -0.245 0.000 0.885 133 N CB 1.266 39.726 38.487 -0.045 0.000 1.135 133 N HN 0.768 nan 8.380 nan 0.000 0.435 134 G N -0.704 108.143 108.800 0.079 0.000 3.078 134 G HA2 0.237 4.190 3.960 -0.011 0.000 0.131 134 G HA3 0.237 4.190 3.960 -0.011 0.000 0.131 134 G C 0.759 175.775 174.900 0.193 0.000 1.219 134 G CA 0.297 45.538 45.100 0.236 0.000 1.319 134 G HN 0.175 nan 8.290 nan 0.000 0.653 135 G N 0.468 109.331 108.800 0.104 0.000 2.513 135 G HA2 -0.174 3.779 3.960 -0.011 0.000 0.219 135 G HA3 -0.174 3.779 3.960 -0.011 0.000 0.219 135 G C 1.875 176.760 174.900 -0.025 0.000 1.160 135 G CA 1.572 46.691 45.100 0.033 0.000 0.767 135 G HN 0.773 nan 8.290 nan 0.000 0.571 136 L N 0.526 121.705 121.223 -0.074 0.000 2.056 136 L HA 0.116 4.449 4.340 -0.011 0.000 0.207 136 L C 2.819 179.625 176.870 -0.108 0.000 1.078 136 L CA 1.930 56.641 54.840 -0.214 0.000 0.749 136 L CB -0.545 41.346 42.059 -0.279 0.000 0.901 136 L HN 0.238 nan 8.230 nan 0.000 0.433 137 G N -0.807 107.988 108.800 -0.009 0.000 2.421 137 G HA2 -0.215 3.738 3.960 -0.011 0.000 0.217 137 G HA3 -0.215 3.738 3.960 -0.011 0.000 0.217 137 G C 1.705 176.685 174.900 0.133 0.000 1.143 137 G CA 0.132 45.254 45.100 0.037 0.000 0.784 137 G HN 0.165 nan 8.290 nan 0.000 0.541 138 R N -0.058 120.542 120.500 0.168 0.000 2.119 138 R HA 0.144 4.477 4.340 -0.011 0.000 0.222 138 R C 2.453 178.756 176.300 0.005 0.000 1.088 138 R CA 0.551 56.723 56.100 0.119 0.000 0.984 138 R CB -0.872 29.455 30.300 0.045 0.000 0.884 138 R HN 0.405 nan 8.270 nan 0.000 0.447 139 L N 0.788 121.947 121.223 -0.107 0.000 2.012 139 L HA -0.122 4.212 4.340 -0.011 0.000 0.210 139 L C 2.234 178.824 176.870 -0.467 0.000 1.073 139 L CA 2.264 56.900 54.840 -0.340 0.000 0.748 139 L CB -0.741 41.083 42.059 -0.391 0.000 0.891 139 L HN 0.179 nan 8.230 nan 0.000 0.431 140 A N -0.600 122.073 122.820 -0.244 0.000 1.917 140 A HA -0.207 4.107 4.320 -0.011 0.000 0.219 140 A C 2.432 180.064 177.584 0.080 0.000 1.182 140 A CA 2.071 54.034 52.037 -0.124 0.000 0.633 140 A CB -1.214 17.741 19.000 -0.076 0.000 0.819 140 A HN 0.596 nan 8.150 nan 0.000 0.448 141 A N -1.366 121.541 122.820 0.145 0.000 1.930 141 A HA -0.130 4.183 4.320 -0.011 0.000 0.217 141 A C 2.291 179.945 177.584 0.117 0.000 1.175 141 A CA 1.605 53.749 52.037 0.178 0.000 0.627 141 A CB -1.153 17.948 19.000 0.168 0.000 0.815 141 A HN 0.596 nan 8.150 nan 0.000 0.443 142 C N -1.583 117.781 119.300 0.108 0.000 2.440 142 C HA 0.002 4.456 4.460 -0.011 0.000 0.278 142 C C 2.391 177.533 174.990 0.253 0.000 1.295 142 C CA 0.411 59.529 59.018 0.168 0.000 1.738 142 C CB -1.518 26.333 27.740 0.185 0.000 1.987 142 C HN 0.612 nan 8.230 nan 0.000 0.492 143 F N 0.507 120.436 119.950 -0.035 0.000 2.134 143 F HA -0.061 4.459 4.527 -0.011 0.000 0.299 143 F C 2.110 177.850 175.800 -0.100 0.000 1.097 143 F CA 1.015 58.946 58.000 -0.115 0.000 1.264 143 F CB -1.342 37.456 39.000 -0.337 0.000 1.001 143 F HN 0.093 nan 8.300 nan 0.000 0.479 144 L N 0.411 121.705 121.223 0.119 0.000 2.012 144 L HA -0.246 4.087 4.340 -0.011 0.000 0.210 144 L C 2.187 179.067 176.870 0.017 0.000 1.073 144 L CA 2.075 56.940 54.840 0.042 0.000 0.748 144 L CB -1.300 40.783 42.059 0.041 0.000 0.891 144 L HN 0.139 nan 8.230 nan 0.000 0.431 145 D N -1.764 118.654 120.400 0.031 0.000 2.117 145 D HA -0.172 4.462 4.640 -0.011 0.000 0.197 145 D C 2.133 178.449 176.300 0.026 0.000 0.987 145 D CA 1.412 55.417 54.000 0.007 0.000 0.829 145 D CB 0.169 40.970 40.800 0.001 0.000 0.961 145 D HN 0.202 nan 8.370 nan 0.000 0.460 146 S N -0.781 114.954 115.700 0.057 0.000 2.383 146 S HA -0.057 4.406 4.470 -0.011 0.000 0.227 146 S C 1.942 176.558 174.600 0.026 0.000 1.026 146 S CA 0.730 58.959 58.200 0.047 0.000 0.981 146 S CB -0.185 63.054 63.200 0.064 0.000 0.818 146 S HN 0.348 nan 8.310 nan 0.000 0.472 147 M N 0.813 120.422 119.600 0.015 0.000 2.229 147 M HA -0.055 4.418 4.480 -0.011 0.000 0.264 147 M C 2.353 178.655 176.300 0.003 0.000 1.063 147 M CA 1.214 56.519 55.300 0.008 0.000 1.114 147 M CB -0.407 32.182 32.600 -0.019 0.000 1.387 147 M HN 0.389 nan 8.290 nan 0.000 0.420 148 A N -0.383 122.436 122.820 -0.001 0.000 1.898 148 A HA -0.089 4.224 4.320 -0.011 0.000 0.214 148 A C 2.147 179.743 177.584 0.020 0.000 1.183 148 A CA 1.766 53.804 52.037 0.002 0.000 0.622 148 A CB -0.945 18.040 19.000 -0.024 0.000 0.824 148 A HN 0.371 nan 8.150 nan 0.000 0.444 149 T N 0.308 114.880 114.554 0.031 0.000 2.915 149 T HA 0.014 4.357 4.350 -0.011 0.000 0.269 149 T C 1.256 175.985 174.700 0.048 0.000 1.071 149 T CA 0.997 63.129 62.100 0.054 0.000 1.132 149 T CB -0.262 68.650 68.868 0.072 0.000 0.878 149 T HN 0.319 nan 8.240 nan 0.000 0.479 150 L N 0.584 121.831 121.223 0.040 0.000 2.685 150 L HA 0.299 4.632 4.340 -0.011 0.000 0.233 150 L C 1.535 178.431 176.870 0.044 0.000 1.173 150 L CA -0.187 54.678 54.840 0.042 0.000 0.961 150 L CB -0.455 41.629 42.059 0.043 0.000 1.217 150 L HN 0.363 nan 8.230 nan 0.000 0.478 151 G N 1.351 110.178 108.800 0.045 0.000 2.341 151 G HA2 -0.290 3.664 3.960 -0.011 0.000 0.292 151 G HA3 -0.290 3.664 3.960 -0.011 0.000 0.292 151 G C 0.077 175.011 174.900 0.056 0.000 1.021 151 G CA 0.171 45.309 45.100 0.064 0.000 0.905 151 G HN 0.307 nan 8.290 nan 0.000 0.508 152 L N -0.354 120.876 121.223 0.012 0.000 2.334 152 L HA 0.621 4.955 4.340 -0.011 0.000 0.277 152 L C 1.142 177.883 176.870 -0.215 0.000 1.075 152 L CA -0.472 54.329 54.840 -0.064 0.000 0.804 152 L CB 1.696 43.736 42.059 -0.032 0.000 1.174 152 L HN 0.255 nan 8.230 nan 0.000 0.438 153 A N 2.974 125.530 122.820 -0.439 0.000 2.990 153 A HA 0.576 4.889 4.320 -0.011 0.000 0.282 153 A C 0.257 177.506 177.584 -0.559 0.000 1.688 153 A CA -0.195 51.303 52.037 -0.897 0.000 1.391 153 A CB -0.613 17.758 19.000 -1.047 0.000 1.112 153 A HN 0.684 nan 8.150 nan 0.000 0.588 154 A N 1.547 124.087 122.820 -0.466 0.000 2.337 154 A HA 0.782 5.096 4.320 -0.011 0.000 0.329 154 A C -1.110 176.236 177.584 -0.397 0.000 1.146 154 A CA -0.428 51.400 52.037 -0.347 0.000 0.800 154 A CB 0.699 19.564 19.000 -0.223 0.000 1.220 154 A HN 0.585 nan 8.150 nan 0.000 0.472 155 Y N 0.370 120.625 120.300 -0.075 0.000 2.391 155 Y HA 0.556 5.100 4.550 -0.011 0.000 0.341 155 Y C 0.818 176.828 175.900 0.183 0.000 0.965 155 Y CA -0.724 57.413 58.100 0.061 0.000 1.067 155 Y CB 2.211 40.811 38.460 0.234 0.000 1.199 155 Y HN 0.811 nan 8.280 nan 0.000 0.450 156 G N 2.159 111.050 108.800 0.151 0.000 2.325 156 G HA2 0.452 4.405 3.960 -0.011 0.000 0.298 156 G HA3 0.452 4.405 3.960 -0.011 0.000 0.298 156 G C -1.768 173.155 174.900 0.039 0.000 1.134 156 G CA -0.282 44.922 45.100 0.173 0.000 0.876 156 G HN 0.511 nan 8.290 nan 0.000 0.452 157 Y N 1.087 121.645 120.300 0.431 0.000 2.361 157 Y HA 0.633 5.177 4.550 -0.011 0.000 0.337 157 Y C 0.736 176.988 175.900 0.586 0.000 0.965 157 Y CA 0.201 58.529 58.100 0.379 0.000 1.091 157 Y CB 2.671 41.368 38.460 0.394 0.000 1.182 157 Y HN 0.876 nan 8.280 nan 0.000 0.450 158 G N 2.411 111.572 108.800 0.601 0.000 2.753 158 G HA2 0.567 4.520 3.960 -0.011 0.000 0.303 158 G HA3 0.567 4.520 3.960 -0.011 0.000 0.303 158 G C -1.756 173.415 174.900 0.451 0.000 1.242 158 G CA -0.802 44.673 45.100 0.626 0.000 0.810 158 G HN 0.420 nan 8.290 nan 0.000 0.515 159 I N 0.655 121.377 120.570 0.252 0.000 2.441 159 I HA 0.435 4.598 4.170 -0.011 0.000 0.295 159 I C 0.111 176.133 176.117 -0.158 0.000 0.994 159 I CA -0.722 60.606 61.300 0.047 0.000 1.144 159 I CB 2.200 40.024 38.000 -0.293 0.000 1.314 159 I HN 0.348 nan 8.210 nan 0.000 0.445 160 R N 6.256 126.767 120.500 0.017 0.000 2.593 160 R HA 0.266 4.599 4.340 -0.011 0.000 0.282 160 R C -1.349 175.006 176.300 0.092 0.000 1.300 160 R CA -0.465 55.678 56.100 0.072 0.000 1.221 160 R CB 0.070 30.403 30.300 0.055 0.000 1.157 160 R HN 0.395 nan 8.270 nan 0.000 0.555 161 Y N 1.842 122.303 120.300 0.269 0.000 2.425 161 Y HA -0.020 4.523 4.550 -0.011 0.000 0.331 161 Y C 1.491 177.572 175.900 0.301 0.000 1.157 161 Y CA -0.171 58.074 58.100 0.242 0.000 1.372 161 Y CB 0.970 39.551 38.460 0.202 0.000 1.253 161 Y HN 0.566 nan 8.280 nan 0.000 0.536 162 E N 1.012 121.379 120.200 0.278 0.000 2.435 162 E HA 0.030 4.374 4.350 -0.011 0.000 0.195 162 E C -0.847 175.604 176.600 -0.248 0.000 1.029 162 E CA 0.512 56.890 56.400 -0.037 0.000 0.865 162 E CB 0.083 29.582 29.700 -0.334 0.000 0.833 162 E HN 0.356 nan 8.360 nan 0.000 0.510 163 F N 1.155 121.349 119.950 0.406 0.000 2.553 163 F HA 0.477 4.998 4.527 -0.011 0.000 0.335 163 F C 0.826 176.724 175.800 0.162 0.000 1.148 163 F CA -0.968 57.212 58.000 0.300 0.000 0.963 163 F CB 1.959 41.061 39.000 0.171 0.000 1.217 163 F HN -0.075 nan 8.300 nan 0.000 0.441 164 G N 1.896 110.808 108.800 0.187 0.000 2.582 164 G HA2 0.340 4.293 3.960 -0.011 0.000 0.232 164 G HA3 0.340 4.293 3.960 -0.011 0.000 0.232 164 G C -0.421 174.441 174.900 -0.064 0.000 1.458 164 G CA -0.634 44.423 45.100 -0.072 0.000 1.062 164 G HN 0.527 nan 8.290 nan 0.000 0.566 165 I N 0.895 121.353 120.570 -0.187 0.000 2.710 165 I HA 0.245 4.409 4.170 -0.011 0.000 0.286 165 I C 0.537 176.560 176.117 -0.157 0.000 1.181 165 I CA -1.095 60.065 61.300 -0.232 0.000 1.430 165 I CB -0.137 37.626 38.000 -0.395 0.000 1.367 165 I HN 0.341 nan 8.210 nan 0.000 0.577 166 F N 6.287 126.247 119.950 0.017 0.000 2.589 166 F HA 0.243 4.764 4.527 -0.011 0.000 0.352 166 F C 0.410 176.260 175.800 0.083 0.000 1.168 166 F CA -0.500 57.532 58.000 0.053 0.000 1.353 166 F CB -0.260 38.757 39.000 0.029 0.000 1.116 166 F HN 0.426 nan 8.300 nan 0.000 0.608 167 N N 2.313 121.199 118.700 0.309 0.000 2.444 167 N HA 0.061 4.794 4.740 -0.011 0.000 0.271 167 N C -0.865 174.884 175.510 0.398 0.000 1.069 167 N CA -0.324 52.873 53.050 0.245 0.000 0.965 167 N CB 1.283 39.902 38.487 0.220 0.000 1.092 167 N HN 0.767 nan 8.380 nan 0.000 0.476 168 Q N 2.552 122.559 119.800 0.345 0.000 2.256 168 Q HA 0.197 4.530 4.340 -0.011 0.000 0.254 168 Q C -0.959 175.215 176.000 0.290 0.000 0.916 168 Q CA -0.241 55.807 55.803 0.408 0.000 0.932 168 Q CB 0.801 29.788 28.738 0.415 0.000 1.207 168 Q HN 0.268 nan 8.270 nan 0.000 0.426 169 K N 4.284 124.830 120.400 0.243 0.000 2.316 169 K HA 0.451 4.765 4.320 -0.011 0.000 0.251 169 K C -0.864 175.837 176.600 0.169 0.000 0.934 169 K CA -0.959 55.446 56.287 0.197 0.000 0.802 169 K CB 1.586 34.180 32.500 0.156 0.000 1.171 169 K HN 0.630 nan 8.250 nan 0.000 0.426 170 I N 2.695 123.360 120.570 0.157 0.000 2.328 170 I HA 0.197 4.360 4.170 -0.011 0.000 0.287 170 I C -0.208 175.969 176.117 0.101 0.000 1.012 170 I CA -0.700 60.664 61.300 0.105 0.000 1.195 170 I CB 0.532 38.579 38.000 0.078 0.000 1.350 170 I HN 0.450 nan 8.210 nan 0.000 0.464 171 C N 4.185 123.556 119.300 0.118 0.000 2.301 171 C HA 0.591 5.044 4.460 -0.011 0.000 0.323 171 C C 1.221 176.315 174.990 0.174 0.000 1.265 171 C CA -0.301 58.791 59.018 0.125 0.000 1.503 171 C CB 0.412 28.220 27.740 0.113 0.000 2.195 171 C HN 1.085 nan 8.230 nan 0.000 0.477 172 G N 2.634 111.507 108.800 0.122 0.000 2.225 172 G HA2 0.085 4.039 3.960 -0.011 0.000 0.267 172 G HA3 0.085 4.039 3.960 -0.011 0.000 0.267 172 G C 1.064 175.978 174.900 0.022 0.000 1.024 172 G CA 0.936 46.116 45.100 0.132 0.000 0.784 172 G HN 2.333 nan 8.290 nan 0.000 0.507 173 G N -2.982 105.778 108.800 -0.066 0.000 2.179 173 G HA2 -0.285 3.668 3.960 -0.011 0.000 0.260 173 G HA3 -0.285 3.668 3.960 -0.011 0.000 0.260 173 G C 0.345 174.991 174.900 -0.424 0.000 0.977 173 G CA 0.650 45.584 45.100 -0.276 0.000 0.641 173 G HN 1.189 nan 8.290 nan 0.000 0.533 174 W N 0.694 121.941 121.300 -0.088 0.000 2.516 174 W HA 0.670 5.323 4.660 -0.011 0.000 0.343 174 W C 0.607 177.072 176.519 -0.089 0.000 1.094 174 W CA -0.883 56.402 57.345 -0.100 0.000 1.250 174 W CB 0.850 30.267 29.460 -0.071 0.000 1.308 174 W HN 0.251 nan 8.180 nan 0.000 0.588 175 Q N 2.720 122.621 119.800 0.167 0.000 2.314 175 Q HA 0.319 4.652 4.340 -0.011 0.000 0.258 175 Q C -0.708 175.348 176.000 0.095 0.000 0.954 175 Q CA 0.014 55.881 55.803 0.107 0.000 0.890 175 Q CB 0.656 29.448 28.738 0.090 0.000 1.210 175 Q HN 0.307 nan 8.270 nan 0.000 0.410 176 M N 3.109 122.761 119.600 0.085 0.000 2.321 176 M HA 0.387 4.861 4.480 -0.011 0.000 0.315 176 M C -1.274 175.038 176.300 0.020 0.000 1.052 176 M CA -0.625 54.695 55.300 0.033 0.000 0.936 176 M CB 1.784 34.419 32.600 0.059 0.000 1.639 176 M HN 0.633 nan 8.290 nan 0.000 0.433 177 E N 1.819 121.959 120.200 -0.100 0.000 2.179 177 E HA 0.533 4.876 4.350 -0.011 0.000 0.275 177 E C -0.664 175.922 176.600 -0.023 0.000 0.945 177 E CA -0.592 55.714 56.400 -0.158 0.000 0.792 177 E CB 1.889 31.219 29.700 -0.617 0.000 1.125 177 E HN 0.535 nan 8.360 nan 0.000 0.397 178 E N 1.329 121.596 120.200 0.111 0.000 2.331 178 E HA 0.638 4.981 4.350 -0.011 0.000 0.275 178 E C -1.164 175.523 176.600 0.145 0.000 0.895 178 E CA -1.348 55.108 56.400 0.093 0.000 0.753 178 E CB 1.378 31.138 29.700 0.101 0.000 1.216 178 E HN 0.512 nan 8.360 nan 0.000 0.434 179 A N 2.778 125.638 122.820 0.066 0.000 2.587 179 A HA 0.001 4.315 4.320 -0.011 0.000 0.235 179 A C 0.017 177.755 177.584 0.257 0.000 1.044 179 A CA 0.758 52.838 52.037 0.072 0.000 0.754 179 A CB -0.093 18.805 19.000 -0.171 0.000 0.968 179 A HN 0.694 nan 8.150 nan 0.000 0.509 180 D N 1.684 122.315 120.400 0.386 0.000 2.500 180 D HA 0.200 4.833 4.640 -0.011 0.000 0.219 180 D C -0.496 176.151 176.300 0.579 0.000 1.137 180 D CA -0.266 53.976 54.000 0.404 0.000 0.946 180 D CB 0.438 41.414 40.800 0.292 0.000 1.022 180 D HN 0.357 nan 8.370 nan 0.000 0.518 181 D N 4.093 124.793 120.400 0.500 0.000 2.801 181 D HA -0.024 4.610 4.640 -0.011 0.000 0.232 181 D C 1.078 177.538 176.300 0.267 0.000 1.128 181 D CA -0.539 53.684 54.000 0.372 0.000 1.003 181 D CB -0.158 40.851 40.800 0.347 0.000 1.110 181 D HN 0.598 nan 8.370 nan 0.000 0.477 182 W N 1.907 123.265 121.300 0.096 0.000 2.611 182 W HA -0.052 4.601 4.660 -0.011 0.000 0.251 182 W C 0.121 176.705 176.519 0.108 0.000 1.265 182 W CA 0.080 57.493 57.345 0.114 0.000 1.295 182 W CB -0.735 28.790 29.460 0.107 0.000 1.129 182 W HN 0.194 nan 8.180 nan 0.000 0.630 183 L N 0.749 121.637 121.223 -0.558 0.000 2.640 183 L HA 0.181 4.514 4.340 -0.011 0.000 0.230 183 L C 2.740 179.466 176.870 -0.239 0.000 1.123 183 L CA -0.069 54.411 54.840 -0.599 0.000 0.900 183 L CB -0.566 41.008 42.059 -0.810 0.000 1.146 183 L HN -0.122 nan 8.230 nan 0.000 0.484 184 R N 0.749 121.179 120.500 -0.116 0.000 2.159 184 R HA -0.260 4.073 4.340 -0.011 0.000 0.249 184 R C 1.455 177.614 176.300 -0.236 0.000 1.136 184 R CA 2.323 58.338 56.100 -0.141 0.000 0.951 184 R CB -0.268 29.989 30.300 -0.073 0.000 0.876 184 R HN 0.309 nan 8.270 nan 0.000 0.440 185 Y N -0.790 119.519 120.300 0.015 0.000 2.457 185 Y HA 0.331 4.874 4.550 -0.011 0.000 0.263 185 Y C 0.826 176.703 175.900 -0.038 0.000 1.164 185 Y CA 0.505 58.617 58.100 0.021 0.000 1.274 185 Y CB 1.104 39.677 38.460 0.187 0.000 1.097 185 Y HN 0.472 nan 8.280 nan 0.000 0.523 186 G N 1.142 109.986 108.800 0.072 0.000 2.629 186 G HA2 -0.187 3.767 3.960 -0.011 0.000 0.686 186 G HA3 -0.187 3.767 3.960 -0.011 0.000 0.686 186 G C -1.443 173.523 174.900 0.110 0.000 1.232 186 G CA -0.943 44.163 45.100 0.009 0.000 0.803 186 G HN 0.168 nan 8.290 nan 0.000 0.638 187 N N 1.240 119.951 118.700 0.018 0.000 2.524 187 N HA 0.568 5.301 4.740 -0.011 0.000 0.261 187 N C -0.909 174.600 175.510 -0.002 0.000 0.998 187 N CA -2.068 51.015 53.050 0.054 0.000 0.915 187 N CB 2.074 40.539 38.487 -0.036 0.000 1.187 187 N HN 0.251 nan 8.380 nan 0.000 0.507 188 P HA 0.062 nan 4.420 nan 0.000 0.237 188 P C 0.508 177.460 177.300 -0.579 0.000 1.178 188 P CA 0.581 63.356 63.100 -0.542 0.000 0.766 188 P CB 0.075 31.187 31.700 -0.980 0.000 0.876 189 W N 1.600 122.904 121.300 0.007 0.000 2.630 189 W HA 0.092 4.745 4.660 -0.011 0.000 0.271 189 W C 1.314 177.863 176.519 0.048 0.000 1.244 189 W CA -0.373 56.970 57.345 -0.003 0.000 1.353 189 W CB -0.216 29.244 29.460 -0.000 0.000 1.080 189 W HN -0.059 nan 8.180 nan 0.000 0.594 190 E N 2.046 122.424 120.200 0.297 0.000 2.374 190 E HA 0.242 4.585 4.350 -0.011 0.000 0.260 190 E C -0.605 176.170 176.600 0.292 0.000 1.101 190 E CA -0.465 56.115 56.400 0.300 0.000 0.907 190 E CB 1.221 31.107 29.700 0.310 0.000 1.014 190 E HN -0.308 nan 8.360 nan 0.000 0.427 191 K N 1.534 122.129 120.400 0.325 0.000 2.604 191 K HA 0.402 4.716 4.320 -0.011 0.000 0.247 191 K C -1.251 175.401 176.600 0.086 0.000 0.956 191 K CA -0.428 55.992 56.287 0.222 0.000 0.896 191 K CB 1.481 34.132 32.500 0.251 0.000 1.131 191 K HN 0.651 nan 8.250 nan 0.000 0.440 192 A N 4.197 126.989 122.820 -0.047 0.000 2.477 192 A HA 0.346 4.660 4.320 -0.011 0.000 0.246 192 A C -0.250 177.145 177.584 -0.315 0.000 1.078 192 A CA -0.106 51.632 52.037 -0.499 0.000 0.770 192 A CB 0.218 18.938 19.000 -0.467 0.000 1.011 192 A HN 0.666 nan 8.150 nan 0.000 0.494 193 R N 3.405 123.697 120.500 -0.348 0.000 2.748 193 R HA 0.199 4.533 4.340 -0.011 0.000 0.283 193 R C -2.336 173.814 176.300 -0.251 0.000 1.507 193 R CA -1.646 54.323 56.100 -0.219 0.000 1.666 193 R CB 0.730 31.064 30.300 0.057 0.000 1.237 193 R HN 0.572 nan 8.270 nan 0.000 0.633 194 P HA -0.195 nan 4.420 nan 0.000 0.221 194 P C 0.900 178.090 177.300 -0.182 0.000 1.145 194 P CA 1.185 64.186 63.100 -0.164 0.000 0.795 194 P CB 0.358 31.979 31.700 -0.133 0.000 0.775 195 E N -0.415 119.558 120.200 -0.378 0.000 2.347 195 E HA -0.121 4.223 4.350 -0.011 0.000 0.196 195 E C 0.480 176.842 176.600 -0.397 0.000 1.008 195 E CA 0.787 56.914 56.400 -0.455 0.000 0.852 195 E CB -0.725 28.571 29.700 -0.673 0.000 0.783 195 E HN 0.273 nan 8.360 nan 0.000 0.505 196 F N 1.804 121.769 119.950 0.025 0.000 2.750 196 F HA 0.293 4.814 4.527 -0.011 0.000 0.297 196 F C 0.415 176.307 175.800 0.153 0.000 1.138 196 F CA -0.744 57.301 58.000 0.075 0.000 1.346 196 F CB 0.030 39.070 39.000 0.066 0.000 0.965 196 F HN -0.303 nan 8.300 nan 0.000 0.514 197 T N 2.897 117.584 114.554 0.222 0.000 2.928 197 T HA 0.297 4.641 4.350 -0.011 0.000 0.305 197 T C -0.157 174.654 174.700 0.184 0.000 1.035 197 T CA 0.366 62.601 62.100 0.224 0.000 1.145 197 T CB 0.667 69.615 68.868 0.134 0.000 0.963 197 T HN -0.142 nan 8.240 nan 0.000 0.545 198 L N 5.506 126.813 121.223 0.141 0.000 2.354 198 L HA 0.623 4.956 4.340 -0.011 0.000 0.264 198 L C -2.243 174.595 176.870 -0.054 0.000 1.008 198 L CA -2.615 52.232 54.840 0.012 0.000 0.819 198 L CB 1.901 43.898 42.059 -0.103 0.000 1.339 198 L HN 0.390 nan 8.230 nan 0.000 0.420 199 P HA 0.442 nan 4.420 nan 0.000 0.292 199 P C -1.276 175.889 177.300 -0.225 0.000 1.283 199 P CA -0.494 62.526 63.100 -0.133 0.000 0.835 199 P CB 1.991 33.608 31.700 -0.138 0.000 1.017 200 V N 3.625 123.390 119.914 -0.249 0.000 2.656 200 V HA 0.336 4.450 4.120 -0.011 0.000 0.307 200 V C 0.087 175.944 176.094 -0.395 0.000 1.051 200 V CA -0.603 61.534 62.300 -0.271 0.000 0.893 200 V CB 1.550 33.270 31.823 -0.172 0.000 0.999 200 V HN 0.611 nan 8.190 nan 0.000 0.426 201 H N 3.727 122.609 119.070 -0.312 0.000 2.502 201 H HA 0.644 5.193 4.556 -0.011 0.000 0.338 201 H C -1.352 173.585 175.328 -0.651 0.000 1.155 201 H CA -0.196 55.566 56.048 -0.478 0.000 1.237 201 H CB 1.998 31.235 29.762 -0.874 0.000 1.534 201 H HN 0.454 nan 8.280 nan 0.000 0.523 202 F N -0.261 119.672 119.950 -0.028 0.000 2.626 202 F HA 0.204 4.724 4.527 -0.011 0.000 0.311 202 F C -0.242 175.610 175.800 0.086 0.000 1.088 202 F CA -0.586 57.402 58.000 -0.019 0.000 0.949 202 F CB 0.869 39.792 39.000 -0.130 0.000 1.322 202 F HN 0.576 nan 8.300 nan 0.000 0.461 203 Y N 0.191 120.738 120.300 0.413 0.000 2.887 203 Y HA -0.025 4.519 4.550 -0.011 0.000 0.467 203 Y C 1.452 177.564 175.900 0.353 0.000 1.191 203 Y CA 0.763 59.037 58.100 0.290 0.000 2.539 203 Y CB -1.920 36.637 38.460 0.161 0.000 1.225 203 Y HN 1.329 nan 8.280 nan 0.000 0.630 204 G N 0.780 109.811 108.800 0.385 0.000 2.645 204 G HA2 0.064 4.017 3.960 -0.011 0.000 0.239 204 G HA3 0.064 4.017 3.960 -0.011 0.000 0.239 204 G C -0.457 174.636 174.900 0.322 0.000 1.331 204 G CA 0.988 46.241 45.100 0.255 0.000 0.890 204 G HN 1.337 nan 8.290 nan 0.000 0.572 205 R N -2.687 117.997 120.500 0.307 0.000 2.766 205 R HA 0.728 5.061 4.340 -0.011 0.000 0.270 205 R C -1.573 174.849 176.300 0.205 0.000 1.035 205 R CA -0.888 55.342 56.100 0.217 0.000 0.911 205 R CB 1.318 31.694 30.300 0.126 0.000 1.243 205 R HN 0.924 nan 8.270 nan 0.000 0.460 206 V N 1.127 121.076 119.914 0.059 0.000 2.384 206 V HA 0.327 4.440 4.120 -0.011 0.000 0.287 206 V C -0.354 175.653 176.094 -0.145 0.000 1.020 206 V CA -0.567 61.692 62.300 -0.067 0.000 0.850 206 V CB 1.344 33.055 31.823 -0.187 0.000 0.987 206 V HN 0.655 nan 8.190 nan 0.000 0.436 207 E N 3.548 123.661 120.200 -0.145 0.000 2.175 207 E HA 0.385 4.729 4.350 -0.011 0.000 0.278 207 E C -0.890 175.577 176.600 -0.222 0.000 0.969 207 E CA -0.646 55.688 56.400 -0.110 0.000 0.796 207 E CB 0.937 30.623 29.700 -0.024 0.000 1.104 207 E HN 0.633 nan 8.360 nan 0.000 0.395 208 H N 2.495 121.579 119.070 0.024 0.000 2.690 208 H HA 0.173 4.722 4.556 -0.011 0.000 0.280 208 H C -0.341 174.996 175.328 0.015 0.000 1.138 208 H CA -0.254 55.803 56.048 0.015 0.000 1.241 208 H CB 0.681 30.447 29.762 0.007 0.000 1.394 208 H HN 0.423 nan 8.280 nan 0.000 0.489 209 T N 0.031 114.641 114.554 0.093 0.000 2.824 209 T HA 0.302 4.646 4.350 -0.011 0.000 0.282 209 T C 1.117 175.850 174.700 0.056 0.000 0.993 209 T CA -0.178 61.961 62.100 0.065 0.000 0.967 209 T CB 1.903 70.795 68.868 0.040 0.000 0.960 209 T HN 0.539 nan 8.240 nan 0.000 0.441 210 S N 2.833 118.561 115.700 0.047 0.000 2.746 210 S HA -0.377 4.086 4.470 -0.011 0.000 0.526 210 S C 0.912 175.535 174.600 0.038 0.000 0.959 210 S CA 1.883 60.105 58.200 0.037 0.000 3.281 210 S CB -1.436 61.781 63.200 0.029 0.000 2.286 210 S HN 0.852 nan 8.310 nan 0.000 0.525 211 Q N 3.014 122.835 119.800 0.036 0.000 2.819 211 Q HA 0.567 4.901 4.340 -0.011 0.000 0.392 211 Q C 0.255 176.280 176.000 0.040 0.000 1.088 211 Q CA 0.824 56.648 55.803 0.036 0.000 1.062 211 Q CB 0.437 29.192 28.738 0.029 0.000 1.369 211 Q HN 1.013 nan 8.270 nan 0.000 0.434 212 G N -0.400 108.434 108.800 0.057 0.000 2.459 212 G HA2 0.269 4.223 3.960 -0.011 0.000 0.685 212 G HA3 0.269 4.223 3.960 -0.011 0.000 0.685 212 G C -1.164 173.774 174.900 0.063 0.000 1.303 212 G CA -0.643 44.495 45.100 0.063 0.000 0.907 212 G HN 0.456 nan 8.290 nan 0.000 0.632 213 A N 0.333 123.182 122.820 0.048 0.000 2.302 213 A HA 0.833 5.146 4.320 -0.011 0.000 0.285 213 A C 0.336 177.879 177.584 -0.069 0.000 1.105 213 A CA -0.069 51.925 52.037 -0.072 0.000 0.816 213 A CB 0.893 19.817 19.000 -0.126 0.000 1.067 213 A HN 0.747 nan 8.150 nan 0.000 0.489 214 K N 0.728 121.072 120.400 -0.094 0.000 2.443 214 K HA 0.202 4.516 4.320 -0.011 0.000 0.252 214 K C -1.755 174.880 176.600 0.057 0.000 0.933 214 K CA -0.394 55.885 56.287 -0.013 0.000 0.792 214 K CB 1.911 34.407 32.500 -0.007 0.000 1.185 214 K HN 0.730 nan 8.250 nan 0.000 0.425 215 W N 5.037 126.254 121.300 -0.139 0.000 2.387 215 W HA 0.343 4.996 4.660 -0.011 0.000 0.310 215 W C -1.017 175.429 176.519 -0.121 0.000 1.181 215 W CA -0.624 56.641 57.345 -0.134 0.000 1.333 215 W CB 0.388 29.756 29.460 -0.154 0.000 1.286 215 W HN 0.180 nan 8.180 nan 0.000 0.455 216 V N 6.584 126.583 119.914 0.141 0.000 3.046 216 V HA 0.345 4.458 4.120 -0.011 0.000 0.316 216 V C -0.461 175.610 176.094 -0.039 0.000 1.104 216 V CA -0.571 61.720 62.300 -0.014 0.000 1.006 216 V CB 2.084 33.922 31.823 0.025 0.000 1.058 216 V HN 0.458 nan 8.190 nan 0.000 0.440 217 D N 1.445 121.809 120.400 -0.061 0.000 2.689 217 D HA -0.128 4.505 4.640 -0.011 0.000 0.237 217 D C 0.416 176.664 176.300 -0.087 0.000 1.148 217 D CA 1.358 55.323 54.000 -0.059 0.000 0.656 217 D CB -1.283 39.513 40.800 -0.008 0.000 1.050 217 D HN 0.847 nan 8.370 nan 0.000 0.426 218 T N -3.138 111.317 114.554 -0.165 0.000 2.902 218 T HA 0.412 4.755 4.350 -0.011 0.000 0.280 218 T C 0.274 174.934 174.700 -0.066 0.000 0.992 218 T CA -0.891 61.115 62.100 -0.156 0.000 1.015 218 T CB 2.588 71.196 68.868 -0.433 0.000 1.044 218 T HN 0.206 nan 8.240 nan 0.000 0.520 219 Q N 0.862 120.698 119.800 0.059 0.000 2.257 219 Q HA 0.520 4.853 4.340 -0.011 0.000 0.255 219 Q C -1.526 174.522 176.000 0.081 0.000 0.920 219 Q CA -0.829 55.016 55.803 0.069 0.000 0.927 219 Q CB 1.306 30.178 28.738 0.225 0.000 1.229 219 Q HN 0.607 nan 8.270 nan 0.000 0.433 220 V N 4.602 124.519 119.914 0.005 0.000 2.394 220 V HA 0.407 4.520 4.120 -0.011 0.000 0.282 220 V C -0.385 175.753 176.094 0.072 0.000 1.031 220 V CA -0.565 61.698 62.300 -0.060 0.000 0.881 220 V CB 1.636 33.381 31.823 -0.129 0.000 0.982 220 V HN 0.628 nan 8.190 nan 0.000 0.451 221 V N 6.232 126.226 119.914 0.133 0.000 2.604 221 V HA 0.496 4.610 4.120 -0.011 0.000 0.305 221 V C -0.177 176.033 176.094 0.194 0.000 1.043 221 V CA -0.645 61.782 62.300 0.211 0.000 0.888 221 V CB 1.952 33.986 31.823 0.352 0.000 0.995 221 V HN 0.631 nan 8.190 nan 0.000 0.429 222 L N 3.512 124.851 121.223 0.193 0.000 2.334 222 L HA 0.780 5.114 4.340 -0.011 0.000 0.277 222 L C 0.398 177.468 176.870 0.334 0.000 1.075 222 L CA -0.444 54.508 54.840 0.186 0.000 0.804 222 L CB 1.382 43.528 42.059 0.145 0.000 1.174 222 L HN 0.738 nan 8.230 nan 0.000 0.438 223 A N 4.746 127.708 122.820 0.238 0.000 2.267 223 A HA 0.607 4.921 4.320 -0.011 0.000 0.315 223 A C -0.494 177.372 177.584 0.470 0.000 1.297 223 A CA -0.474 51.743 52.037 0.301 0.000 0.865 223 A CB 0.967 19.701 19.000 -0.443 0.000 1.165 223 A HN 0.800 nan 8.150 nan 0.000 0.513 224 M N 5.931 125.861 119.600 0.550 0.000 2.180 224 M HA 0.517 4.990 4.480 -0.011 0.000 0.350 224 M C -2.642 173.920 176.300 0.437 0.000 1.125 224 M CA -2.023 53.528 55.300 0.417 0.000 1.031 224 M CB 2.029 34.798 32.600 0.281 0.000 1.623 224 M HN 0.339 nan 8.290 nan 0.000 0.451 225 P HA 0.295 nan 4.420 nan 0.000 0.284 225 P C -1.954 175.264 177.300 -0.137 0.000 1.258 225 P CA -0.049 62.961 63.100 -0.149 0.000 0.824 225 P CB 0.569 31.986 31.700 -0.472 0.000 1.038 226 Y N 0.247 120.485 120.300 -0.103 0.000 2.346 226 Y HA 0.313 4.856 4.550 -0.011 0.000 0.332 226 Y C -0.091 175.804 175.900 -0.009 0.000 0.985 226 Y CA -0.362 57.740 58.100 0.003 0.000 1.112 226 Y CB 1.499 39.990 38.460 0.052 0.000 1.170 226 Y HN 0.206 nan 8.280 nan 0.000 0.447 227 D N 2.099 122.620 120.400 0.202 0.000 2.193 227 D HA 0.416 5.050 4.640 -0.011 0.000 0.244 227 D C -0.590 175.933 176.300 0.372 0.000 1.064 227 D CA -0.250 53.909 54.000 0.264 0.000 0.845 227 D CB 1.829 42.837 40.800 0.347 0.000 1.148 227 D HN 0.349 nan 8.370 nan 0.000 0.464 228 T N 3.090 117.756 114.554 0.186 0.000 2.824 228 T HA 0.462 4.805 4.350 -0.011 0.000 0.282 228 T C -2.526 171.996 174.700 -0.296 0.000 0.993 228 T CA -1.482 60.622 62.100 0.005 0.000 0.967 228 T CB 2.028 70.901 68.868 0.009 0.000 0.960 228 T HN 0.169 nan 8.240 nan 0.000 0.441 229 P HA 0.302 nan 4.420 nan 0.000 0.276 229 P C -0.989 175.974 177.300 -0.562 0.000 1.230 229 P CA -0.385 62.037 63.100 -1.131 0.000 0.776 229 P CB 0.815 31.611 31.700 -1.506 0.000 0.888 230 V N 5.472 125.127 119.914 -0.432 0.000 2.305 230 V HA 0.265 4.378 4.120 -0.011 0.000 0.275 230 V C -2.044 173.920 176.094 -0.217 0.000 1.020 230 V CA -1.936 60.203 62.300 -0.268 0.000 0.811 230 V CB 1.336 33.048 31.823 -0.184 0.000 1.031 230 V HN 0.544 nan 8.190 nan 0.000 0.439 231 P HA 0.287 nan 4.420 nan 0.000 0.280 231 P C 0.334 177.585 177.300 -0.082 0.000 1.244 231 P CA 0.284 63.299 63.100 -0.142 0.000 0.784 231 P CB 1.701 33.312 31.700 -0.148 0.000 0.913 232 G N 2.159 110.929 108.800 -0.051 0.000 2.562 232 G HA2 0.161 4.114 3.960 -0.011 0.000 0.275 232 G HA3 0.161 4.114 3.960 -0.011 0.000 0.275 232 G C -1.175 173.740 174.900 0.024 0.000 1.196 232 G CA -0.452 44.646 45.100 -0.003 0.000 0.908 232 G HN 0.475 nan 8.290 nan 0.000 0.524 233 Y N 0.576 120.838 120.300 -0.063 0.000 2.584 233 Y HA 0.272 4.815 4.550 -0.012 0.000 0.351 233 Y C 1.271 177.133 175.900 -0.062 0.000 1.030 233 Y CA -0.363 57.695 58.100 -0.070 0.000 1.332 233 Y CB 0.021 38.438 38.460 -0.071 0.000 1.148 233 Y HN 0.708 nan 8.280 nan 0.000 0.528 234 R N 2.968 123.152 120.500 -0.527 0.000 3.502 234 R HA -0.314 4.020 4.340 -0.011 0.000 0.266 234 R C 0.034 176.182 176.300 -0.255 0.000 1.077 234 R CA 1.441 57.252 56.100 -0.482 0.000 0.718 234 R CB -1.832 27.993 30.300 -0.791 0.000 1.120 234 R HN 0.950 nan 8.270 nan 0.000 0.457 235 N N -1.579 117.030 118.700 -0.152 0.000 2.170 235 N HA 0.073 4.806 4.740 -0.011 0.000 0.222 235 N C -0.217 175.246 175.510 -0.078 0.000 1.218 235 N CA -0.369 52.626 53.050 -0.092 0.000 0.889 235 N CB 0.576 39.034 38.487 -0.049 0.000 1.083 235 N HN 0.104 nan 8.380 nan 0.000 0.520 236 N N -0.204 118.447 118.700 -0.082 0.000 2.800 236 N HA -0.127 4.606 4.740 -0.011 0.000 0.250 236 N C -1.065 174.407 175.510 -0.064 0.000 1.078 236 N CA 0.567 53.577 53.050 -0.066 0.000 0.804 236 N CB -1.259 37.190 38.487 -0.063 0.000 1.135 236 N HN 0.186 nan 8.380 nan 0.000 0.565 237 V N 1.294 121.173 119.914 -0.058 0.000 2.407 237 V HA 0.441 4.554 4.120 -0.011 0.000 0.278 237 V C 0.491 176.559 176.094 -0.043 0.000 1.037 237 V CA -0.516 61.755 62.300 -0.047 0.000 0.900 237 V CB 2.133 33.950 31.823 -0.010 0.000 0.983 237 V HN -0.041 nan 8.190 nan 0.000 0.459 238 V N 5.683 125.579 119.914 -0.030 0.000 2.357 238 V HA 0.413 4.527 4.120 -0.011 0.000 0.281 238 V C 0.037 176.137 176.094 0.009 0.000 1.015 238 V CA -0.822 61.441 62.300 -0.063 0.000 0.827 238 V CB 1.307 33.086 31.823 -0.074 0.000 1.018 238 V HN 0.826 nan 8.190 nan 0.000 0.432 239 N N 2.038 120.715 118.700 -0.039 0.000 2.364 239 N HA 0.521 5.255 4.740 -0.011 0.000 0.264 239 N C 0.066 175.580 175.510 0.007 0.000 1.263 239 N CA -0.162 52.889 53.050 0.002 0.000 0.959 239 N CB 1.020 39.469 38.487 -0.063 0.000 1.204 239 N HN 0.568 nan 8.380 nan 0.000 0.550 240 T N 0.708 115.277 114.554 0.025 0.000 2.841 240 T HA 0.426 4.769 4.350 -0.011 0.000 0.283 240 T C -0.279 174.401 174.700 -0.034 0.000 1.000 240 T CA -0.526 61.650 62.100 0.127 0.000 0.977 240 T CB 1.155 70.216 68.868 0.321 0.000 0.979 240 T HN 0.321 nan 8.240 nan 0.000 0.446 241 M N 3.555 123.100 119.600 -0.092 0.000 2.044 241 M HA 0.491 4.964 4.480 -0.011 0.000 0.333 241 M C -0.550 175.607 176.300 -0.239 0.000 1.004 241 M CA -0.743 54.408 55.300 -0.248 0.000 0.954 241 M CB 0.691 33.090 32.600 -0.335 0.000 1.468 241 M HN 0.461 nan 8.290 nan 0.000 0.414 242 R N 4.416 124.667 120.500 -0.415 0.000 2.207 242 R HA 0.526 4.859 4.340 -0.011 0.000 0.334 242 R C -1.820 174.212 176.300 -0.445 0.000 1.013 242 R CA -0.524 55.283 56.100 -0.488 0.000 0.858 242 R CB 0.773 30.583 30.300 -0.817 0.000 1.094 242 R HN 0.632 nan 8.270 nan 0.000 0.457 243 L N 5.795 126.859 121.223 -0.265 0.000 2.313 243 L HA 0.438 4.771 4.340 -0.011 0.000 0.283 243 L C -1.027 175.818 176.870 -0.041 0.000 1.013 243 L CA -0.537 54.251 54.840 -0.086 0.000 0.816 243 L CB 1.109 43.200 42.059 0.052 0.000 1.236 243 L HN 0.622 nan 8.230 nan 0.000 0.419 244 W N 2.391 123.838 121.300 0.246 0.000 2.316 244 W HA 0.589 5.243 4.660 -0.011 0.000 0.321 244 W C 0.600 177.370 176.519 0.419 0.000 1.203 244 W CA -0.213 57.308 57.345 0.292 0.000 1.214 244 W CB 1.316 30.831 29.460 0.092 0.000 1.169 244 W HN 0.416 nan 8.180 nan 0.000 0.561 245 S N 1.484 117.627 115.700 0.739 0.000 2.500 245 S HA 0.755 5.218 4.470 -0.011 0.000 0.301 245 S C -0.489 174.469 174.600 0.597 0.000 1.092 245 S CA -0.735 57.795 58.200 0.549 0.000 1.030 245 S CB 0.692 64.171 63.200 0.465 0.000 1.031 245 S HN 0.519 nan 8.310 nan 0.000 0.483 246 A N 4.537 127.539 122.820 0.304 0.000 2.366 246 A HA 0.653 4.967 4.320 -0.011 0.000 0.272 246 A C -0.076 177.613 177.584 0.175 0.000 1.135 246 A CA -0.178 51.947 52.037 0.148 0.000 0.804 246 A CB 0.360 19.205 19.000 -0.260 0.000 1.064 246 A HN 0.640 nan 8.150 nan 0.000 0.499 247 K N 0.867 121.388 120.400 0.202 0.000 2.464 247 K HA 0.620 4.934 4.320 -0.011 0.000 0.253 247 K C -0.714 175.964 176.600 0.128 0.000 0.933 247 K CA -0.450 55.930 56.287 0.155 0.000 0.801 247 K CB 2.351 34.954 32.500 0.173 0.000 1.271 247 K HN 0.843 nan 8.250 nan 0.000 0.430 248 A N 3.832 126.710 122.820 0.096 0.000 2.327 248 A HA 0.548 4.861 4.320 -0.011 0.000 0.283 248 A C -2.229 175.407 177.584 0.087 0.000 1.127 248 A CA -1.247 50.842 52.037 0.087 0.000 0.810 248 A CB -0.020 19.020 19.000 0.067 0.000 1.066 248 A HN 0.345 nan 8.150 nan 0.000 0.492 249 P HA 0.098 nan 4.420 nan 0.000 0.274 249 P C -0.042 177.307 177.300 0.080 0.000 1.231 249 P CA -0.380 62.773 63.100 0.088 0.000 0.790 249 P CB 0.692 32.456 31.700 0.106 0.000 0.951 250 N N 1.176 119.914 118.700 0.063 0.000 2.398 250 N HA -0.083 4.651 4.740 -0.011 0.000 0.188 250 N C 0.505 176.043 175.510 0.046 0.000 1.122 250 N CA 0.311 53.392 53.050 0.052 0.000 0.866 250 N CB -0.329 38.183 38.487 0.042 0.000 0.970 250 N HN 0.414 nan 8.380 nan 0.000 0.462 251 D N 0.793 121.221 120.400 0.046 0.000 2.237 251 D HA -0.099 4.535 4.640 -0.011 0.000 0.267 251 D C 1.424 177.741 176.300 0.028 0.000 1.226 251 D CA -0.031 53.967 54.000 -0.004 0.000 0.947 251 D CB -0.949 39.821 40.800 -0.050 0.000 0.941 251 D HN -0.052 nan 8.370 nan 0.000 0.333 252 F N 1.069 121.040 119.950 0.035 0.000 2.141 252 F HA -0.163 4.358 4.527 -0.011 0.000 0.300 252 F C 1.603 177.430 175.800 0.046 0.000 1.079 252 F CA 1.304 59.331 58.000 0.045 0.000 1.264 252 F CB -1.025 38.001 39.000 0.043 0.000 1.011 252 F HN 0.100 nan 8.300 nan 0.000 0.487 253 N N 0.499 119.335 118.700 0.227 0.000 3.115 253 N HA 0.096 4.829 4.740 -0.011 0.000 0.305 253 N C 0.811 176.378 175.510 0.095 0.000 1.305 253 N CA 0.162 53.294 53.050 0.137 0.000 1.154 253 N CB -0.038 38.509 38.487 0.100 0.000 1.454 253 N HN 0.114 nan 8.380 nan 0.000 0.551 254 L N -0.718 120.572 121.223 0.112 0.000 1.433 254 L HA -0.108 4.225 4.340 -0.011 0.000 0.146 254 L C 1.339 178.272 176.870 0.104 0.000 1.334 254 L CA 0.862 55.756 54.840 0.089 0.000 1.267 254 L CB -0.952 41.151 42.059 0.072 0.000 2.547 254 L HN 0.264 nan 8.230 nan 0.000 0.476 255 K N 0.310 120.745 120.400 0.058 0.000 2.296 255 K HA -0.035 4.279 4.320 -0.011 0.000 0.200 255 K C 0.503 177.136 176.600 0.055 0.000 1.048 255 K CA 1.016 57.287 56.287 -0.028 0.000 0.966 255 K CB -0.042 32.325 32.500 -0.221 0.000 0.754 255 K HN 0.154 nan 8.250 nan 0.000 0.466 256 D N 2.101 122.640 120.400 0.231 0.000 2.385 256 D HA -0.024 4.609 4.640 -0.011 0.000 0.260 256 D C -0.232 176.286 176.300 0.363 0.000 1.326 256 D CA -0.136 54.106 54.000 0.403 0.000 1.023 256 D CB -0.095 40.987 40.800 0.469 0.000 1.083 256 D HN 0.199 nan 8.370 nan 0.000 0.517 257 F N 1.413 121.403 119.950 0.066 0.000 2.373 257 F HA 0.342 4.862 4.527 -0.011 0.000 0.302 257 F C 0.542 176.372 175.800 0.049 0.000 1.247 257 F CA -1.971 56.058 58.000 0.049 0.000 1.169 257 F CB -0.266 38.749 39.000 0.026 0.000 1.309 257 F HN 0.359 nan 8.300 nan 0.000 0.537 258 N N -0.543 118.033 118.700 -0.208 0.000 3.506 258 N HA 0.070 4.803 4.740 -0.011 0.000 0.257 258 N C -1.733 173.712 175.510 -0.109 0.000 1.059 258 N CA 0.470 53.336 53.050 -0.306 0.000 0.672 258 N CB -0.917 37.242 38.487 -0.547 0.000 1.178 258 N HN 0.831 nan 8.380 nan 0.000 0.593 259 V N -1.617 118.285 119.914 -0.021 0.000 3.576 259 V HA -0.020 4.093 4.120 -0.011 0.000 0.511 259 V C 1.308 177.410 176.094 0.014 0.000 0.682 259 V CA 1.550 63.852 62.300 0.004 0.000 2.064 259 V CB -0.892 30.922 31.823 -0.014 0.000 2.487 259 V HN 0.987 nan 8.190 nan 0.000 0.511 260 G N 1.026 109.843 108.800 0.028 0.000 3.685 260 G HA2 0.670 4.624 3.960 -0.011 0.000 0.215 260 G HA3 0.670 4.624 3.960 -0.011 0.000 0.215 260 G C 0.909 175.829 174.900 0.034 0.000 0.987 260 G CA 1.207 46.323 45.100 0.026 0.000 0.884 260 G HN 3.015 nan 8.290 nan 0.000 0.406 261 G N -0.995 107.840 108.800 0.057 0.000 3.187 261 G HA2 0.264 4.217 3.960 -0.011 0.000 0.682 261 G HA3 0.264 4.217 3.960 -0.011 0.000 0.682 261 G C -0.072 174.883 174.900 0.092 0.000 1.266 261 G CA 0.202 45.346 45.100 0.073 0.000 0.902 261 G HN 1.425 nan 8.290 nan 0.000 0.589 262 Y N 3.323 123.639 120.300 0.028 0.000 2.200 262 Y HA -0.012 4.532 4.550 -0.011 0.000 0.290 262 Y C 2.489 178.404 175.900 0.026 0.000 1.137 262 Y CA 2.152 60.270 58.100 0.029 0.000 1.163 262 Y CB 0.015 38.490 38.460 0.025 0.000 0.988 262 Y HN 0.494 nan 8.280 nan 0.000 0.518 263 I N 0.465 120.956 120.570 -0.131 0.000 2.179 263 I HA -0.278 3.885 4.170 -0.011 0.000 0.242 263 I C 2.360 178.376 176.117 -0.167 0.000 1.088 263 I CA 1.414 62.596 61.300 -0.197 0.000 1.357 263 I CB -1.283 36.712 38.000 -0.008 0.000 1.051 263 I HN 0.356 nan 8.210 nan 0.000 0.409 264 Q N 0.686 120.437 119.800 -0.081 0.000 2.124 264 Q HA -0.117 4.216 4.340 -0.011 0.000 0.202 264 Q C 2.362 178.320 176.000 -0.071 0.000 0.977 264 Q CA 1.864 57.634 55.803 -0.055 0.000 0.850 264 Q CB -0.291 28.436 28.738 -0.018 0.000 0.901 264 Q HN 0.534 nan 8.270 nan 0.000 0.429 265 A N -0.205 122.561 122.820 -0.089 0.000 1.902 265 A HA -0.132 4.181 4.320 -0.011 0.000 0.217 265 A C 2.371 179.891 177.584 -0.106 0.000 1.181 265 A CA 1.631 53.625 52.037 -0.071 0.000 0.623 265 A CB -0.596 18.377 19.000 -0.045 0.000 0.818 265 A HN 0.233 nan 8.150 nan 0.000 0.443 266 V N 0.081 119.867 119.914 -0.212 0.000 2.453 266 V HA -0.190 3.924 4.120 -0.011 0.000 0.247 266 V C 2.454 178.489 176.094 -0.098 0.000 1.048 266 V CA 1.675 63.865 62.300 -0.184 0.000 1.049 266 V CB -0.626 31.014 31.823 -0.305 0.000 0.672 266 V HN 0.561 nan 8.190 nan 0.000 0.457 267 L N -0.391 120.777 121.223 -0.091 0.000 2.217 267 L HA -0.091 4.243 4.340 -0.011 0.000 0.211 267 L C 1.902 178.756 176.870 -0.027 0.000 1.107 267 L CA 1.047 55.858 54.840 -0.048 0.000 0.783 267 L CB -0.584 41.451 42.059 -0.041 0.000 0.919 267 L HN 0.316 nan 8.230 nan 0.000 0.442 268 D N 0.112 120.495 120.400 -0.029 0.000 2.363 268 D HA -0.060 4.573 4.640 -0.011 0.000 0.226 268 D C 2.117 178.417 176.300 -0.001 0.000 1.020 268 D CA 0.422 54.415 54.000 -0.012 0.000 0.892 268 D CB 0.069 40.864 40.800 -0.009 0.000 0.900 268 D HN 0.225 nan 8.370 nan 0.000 0.531 269 R N 0.459 120.958 120.500 -0.002 0.000 2.152 269 R HA 0.004 4.337 4.340 -0.011 0.000 0.232 269 R C 0.403 176.715 176.300 0.019 0.000 1.117 269 R CA 0.548 56.657 56.100 0.014 0.000 0.981 269 R CB -0.057 30.252 30.300 0.014 0.000 0.870 269 R HN 0.076 nan 8.270 nan 0.000 0.451 270 N N 1.083 119.792 118.700 0.015 0.000 3.178 270 N HA 0.018 4.752 4.740 -0.011 0.000 0.300 270 N C 0.018 175.537 175.510 0.015 0.000 1.242 270 N CA 0.445 53.508 53.050 0.021 0.000 1.192 270 N CB 1.134 39.636 38.487 0.024 0.000 1.463 270 N HN 0.105 nan 8.380 nan 0.000 0.539 271 L N -0.457 120.772 121.223 0.010 0.000 3.188 271 L HA 0.210 4.543 4.340 -0.011 0.000 0.327 271 L C 1.638 178.500 176.870 -0.014 0.000 1.009 271 L CA 0.463 55.303 54.840 0.001 0.000 1.373 271 L CB -0.226 41.833 42.059 0.000 0.000 2.331 271 L HN 0.245 nan 8.230 nan 0.000 0.594 272 A N -0.654 122.163 122.820 -0.005 0.000 1.997 272 A HA 0.070 4.383 4.320 -0.011 0.000 0.212 272 A C 1.732 179.293 177.584 -0.037 0.000 1.178 272 A CA 0.932 52.959 52.037 -0.017 0.000 0.698 272 A CB -0.134 18.884 19.000 0.030 0.000 0.842 272 A HN 0.398 nan 8.150 nan 0.000 0.458 273 E N 0.391 120.589 120.200 -0.004 0.000 2.482 273 E HA -0.049 4.294 4.350 -0.011 0.000 0.196 273 E C 0.840 177.442 176.600 0.003 0.000 1.047 273 E CA 0.093 56.496 56.400 0.004 0.000 0.869 273 E CB -0.061 29.664 29.700 0.042 0.000 0.836 273 E HN 0.410 nan 8.360 nan 0.000 0.520 274 N N 0.851 119.552 118.700 0.001 0.000 2.459 274 N HA -0.042 4.692 4.740 -0.011 0.000 0.181 274 N C 1.542 177.064 175.510 0.020 0.000 1.046 274 N CA 0.496 53.564 53.050 0.031 0.000 0.904 274 N CB 0.051 38.554 38.487 0.026 0.000 0.964 274 N HN 0.239 nan 8.380 nan 0.000 0.444 275 I N 0.303 120.829 120.570 -0.073 0.000 2.264 275 I HA -0.243 3.920 4.170 -0.011 0.000 0.248 275 I C 1.376 177.461 176.117 -0.053 0.000 1.111 275 I CA 1.244 62.462 61.300 -0.136 0.000 1.382 275 I CB -0.087 37.664 38.000 -0.415 0.000 1.060 275 I HN 0.128 nan 8.210 nan 0.000 0.418 276 S N -0.746 114.928 115.700 -0.043 0.000 2.601 276 S HA 0.191 4.655 4.470 -0.011 0.000 0.244 276 S C 1.446 176.188 174.600 0.238 0.000 1.001 276 S CA -0.613 57.646 58.200 0.098 0.000 0.984 276 S CB 0.234 63.468 63.200 0.058 0.000 0.842 276 S HN 0.222 nan 8.310 nan 0.000 0.474 277 R N 1.102 121.743 120.500 0.236 0.000 2.073 277 R HA 0.275 4.608 4.340 -0.011 0.000 0.229 277 R C 0.413 176.969 176.300 0.427 0.000 1.120 277 R CA 1.206 57.487 56.100 0.301 0.000 0.967 277 R CB -0.092 30.356 30.300 0.246 0.000 0.862 277 R HN 0.396 nan 8.270 nan 0.000 0.436 278 V N 0.249 120.371 119.914 0.346 0.000 3.012 278 V HA 0.371 4.485 4.120 -0.011 0.000 0.307 278 V C -1.608 174.432 176.094 -0.090 0.000 1.166 278 V CA -1.332 61.089 62.300 0.202 0.000 0.974 278 V CB 1.820 33.697 31.823 0.090 0.000 1.040 278 V HN 0.168 nan 8.190 nan 0.000 0.428 279 L N 6.024 126.958 121.223 -0.481 0.000 2.349 279 L HA 0.542 4.875 4.340 -0.011 0.000 0.275 279 L C -0.991 175.696 176.870 -0.305 0.000 1.115 279 L CA 0.282 54.624 54.840 -0.830 0.000 0.820 279 L CB 0.858 42.317 42.059 -1.000 0.000 1.135 279 L HN 0.700 nan 8.230 nan 0.000 0.445 280 Y N 6.192 126.391 120.300 -0.168 0.000 2.496 280 Y HA 0.234 4.777 4.550 -0.011 0.000 0.334 280 Y C -1.418 174.469 175.900 -0.022 0.000 1.080 280 Y CA -1.483 56.596 58.100 -0.034 0.000 1.355 280 Y CB 0.425 38.893 38.460 0.014 0.000 1.193 280 Y HN 0.558 nan 8.280 nan 0.000 0.523 281 P HA -0.029 nan 4.420 nan 0.000 0.269 281 P C -0.856 176.557 177.300 0.188 0.000 1.461 281 P CA 0.278 63.469 63.100 0.152 0.000 0.809 281 P CB -0.013 31.872 31.700 0.309 0.000 1.503 282 N N 1.281 120.103 118.700 0.204 0.000 2.426 282 N HA 0.139 4.872 4.740 -0.011 0.000 0.275 282 N C -0.483 175.168 175.510 0.234 0.000 1.019 282 N CA 0.147 53.339 53.050 0.238 0.000 0.941 282 N CB 1.309 39.980 38.487 0.306 0.000 1.123 282 N HN 0.119 nan 8.380 nan 0.000 0.486 283 D N 2.061 122.631 120.400 0.283 0.000 2.381 283 D HA 0.133 4.766 4.640 -0.011 0.000 0.235 283 D C -0.367 176.213 176.300 0.466 0.000 1.068 283 D CA -0.208 53.992 54.000 0.332 0.000 0.832 283 D CB 0.435 41.443 40.800 0.346 0.000 1.101 283 D HN 0.348 nan 8.370 nan 0.000 0.515 284 N N 2.801 121.700 118.700 0.331 0.000 2.740 284 N HA -0.256 4.478 4.740 -0.011 0.000 0.248 284 N C -1.173 174.563 175.510 0.376 0.000 1.062 284 N CA 0.762 53.973 53.050 0.268 0.000 0.704 284 N CB -1.083 37.483 38.487 0.132 0.000 0.968 284 N HN 0.435 nan 8.380 nan 0.000 0.547 285 F N 0.528 120.581 119.950 0.172 0.000 2.622 285 F HA 0.453 4.973 4.527 -0.011 0.000 0.318 285 F C -1.321 174.560 175.800 0.135 0.000 1.135 285 F CA -1.140 56.933 58.000 0.121 0.000 1.015 285 F CB 0.894 39.929 39.000 0.057 0.000 1.275 285 F HN -0.067 nan 8.300 nan 0.000 0.457 286 F N 5.718 125.257 119.950 -0.685 0.000 2.408 286 F HA 0.542 5.062 4.527 -0.011 0.000 0.344 286 F C -0.626 174.827 175.800 -0.578 0.000 1.112 286 F CA -0.380 57.309 58.000 -0.519 0.000 1.096 286 F CB 1.000 39.714 39.000 -0.477 0.000 1.129 286 F HN 0.526 nan 8.300 nan 0.000 0.486 287 E N 3.589 123.168 120.200 -1.034 0.000 2.182 287 E HA 0.292 4.635 4.350 -0.011 0.000 0.258 287 E C -0.208 175.653 176.600 -1.232 0.000 0.879 287 E CA -0.637 55.247 56.400 -0.861 0.000 0.754 287 E CB 1.373 30.942 29.700 -0.217 0.000 1.162 287 E HN 0.942 nan 8.360 nan 0.000 0.419 288 G N 4.625 112.651 108.800 -1.291 0.000 3.316 288 G HA2 0.016 3.969 3.960 -0.011 0.000 0.255 288 G HA3 0.016 3.969 3.960 -0.011 0.000 0.255 288 G C 0.130 174.984 174.900 -0.076 0.000 0.880 288 G CA -0.140 44.456 45.100 -0.840 0.000 1.956 288 G HN 0.128 nan 8.290 nan 0.000 0.634 289 K N 0.300 120.709 120.400 0.014 0.000 2.098 289 K HA 0.217 4.531 4.320 -0.011 0.000 0.258 289 K C 0.926 177.671 176.600 0.242 0.000 0.973 289 K CA -0.794 55.577 56.287 0.140 0.000 0.898 289 K CB 2.115 34.689 32.500 0.124 0.000 1.057 289 K HN 0.372 nan 8.250 nan 0.000 0.447 290 E N 1.135 121.432 120.200 0.163 0.000 2.110 290 E HA -0.184 4.160 4.350 -0.011 0.000 0.193 290 E C 1.472 178.100 176.600 0.047 0.000 0.988 290 E CA 0.801 57.246 56.400 0.076 0.000 0.804 290 E CB 0.183 29.927 29.700 0.073 0.000 0.745 290 E HN 0.373 nan 8.360 nan 0.000 0.458 291 L N 1.311 122.606 121.223 0.120 0.000 2.083 291 L HA -0.153 4.181 4.340 -0.011 0.000 0.209 291 L C 2.340 179.310 176.870 0.167 0.000 1.083 291 L CA 1.540 56.474 54.840 0.156 0.000 0.752 291 L CB -0.489 41.737 42.059 0.279 0.000 0.899 291 L HN 0.009 nan 8.230 nan 0.000 0.433 292 R N -0.498 120.041 120.500 0.065 0.000 2.066 292 R HA -0.103 4.231 4.340 -0.011 0.000 0.232 292 R C 2.214 178.579 176.300 0.108 0.000 1.131 292 R CA 1.630 57.707 56.100 -0.039 0.000 0.955 292 R CB -1.232 28.896 30.300 -0.286 0.000 0.851 292 R HN 0.413 nan 8.270 nan 0.000 0.432 293 L N 1.465 122.673 121.223 -0.025 0.000 2.079 293 L HA -0.134 4.200 4.340 -0.011 0.000 0.210 293 L C 1.892 178.715 176.870 -0.078 0.000 1.081 293 L CA 1.900 56.516 54.840 -0.374 0.000 0.752 293 L CB -0.345 41.151 42.059 -0.939 0.000 0.896 293 L HN 0.050 nan 8.230 nan 0.000 0.433 294 K N -1.173 119.229 120.400 0.002 0.000 2.097 294 K HA -0.147 4.167 4.320 -0.011 0.000 0.205 294 K C 2.096 178.863 176.600 0.279 0.000 1.050 294 K CA 1.478 57.839 56.287 0.123 0.000 0.938 294 K CB -0.089 32.314 32.500 -0.162 0.000 0.718 294 K HN 0.504 nan 8.250 nan 0.000 0.442 295 Q N 0.487 120.419 119.800 0.221 0.000 2.079 295 Q HA -0.171 4.163 4.340 -0.011 0.000 0.200 295 Q C 1.862 178.066 176.000 0.340 0.000 0.974 295 Q CA 1.323 57.309 55.803 0.305 0.000 0.840 295 Q CB 0.023 28.961 28.738 0.334 0.000 0.898 295 Q HN 0.360 nan 8.270 nan 0.000 0.430 296 E N -0.193 120.164 120.200 0.261 0.000 2.110 296 E HA -0.213 4.131 4.350 -0.011 0.000 0.193 296 E C 1.663 178.377 176.600 0.190 0.000 0.988 296 E CA 1.038 57.573 56.400 0.226 0.000 0.804 296 E CB -0.069 29.749 29.700 0.196 0.000 0.745 296 E HN 0.324 nan 8.360 nan 0.000 0.458 297 Y N 0.036 120.392 120.300 0.093 0.000 2.286 297 Y HA -0.140 4.403 4.550 -0.011 0.000 0.293 297 Y C 1.894 177.825 175.900 0.051 0.000 1.124 297 Y CA 0.792 58.894 58.100 0.003 0.000 1.178 297 Y CB -0.329 38.093 38.460 -0.063 0.000 1.010 297 Y HN 0.007 nan 8.280 nan 0.000 0.536 298 F N -0.239 119.693 119.950 -0.031 0.000 2.091 298 F HA -0.246 4.275 4.527 -0.011 0.000 0.299 298 F C 2.412 178.058 175.800 -0.256 0.000 1.103 298 F CA 2.053 59.996 58.000 -0.095 0.000 1.228 298 F CB -0.982 38.123 39.000 0.175 0.000 0.984 298 F HN -0.060 nan 8.300 nan 0.000 0.477 299 V N -0.554 119.310 119.914 -0.084 0.000 2.427 299 V HA -0.181 3.932 4.120 -0.011 0.000 0.248 299 V C 2.144 178.076 176.094 -0.270 0.000 1.051 299 V CA 1.804 64.019 62.300 -0.142 0.000 1.048 299 V CB -0.264 31.687 31.823 0.214 0.000 0.666 299 V HN 0.268 nan 8.190 nan 0.000 0.456 300 V N 0.311 120.068 119.914 -0.262 0.000 2.323 300 V HA -0.127 3.986 4.120 -0.011 0.000 0.244 300 V C 2.778 178.597 176.094 -0.460 0.000 1.041 300 V CA 1.959 64.091 62.300 -0.280 0.000 1.025 300 V CB -0.942 30.776 31.823 -0.176 0.000 0.656 300 V HN 0.621 nan 8.190 nan 0.000 0.451 301 A N -0.090 122.282 122.820 -0.747 0.000 1.902 301 A HA -0.105 4.208 4.320 -0.011 0.000 0.217 301 A C 2.388 179.594 177.584 -0.629 0.000 1.181 301 A CA 2.130 53.728 52.037 -0.733 0.000 0.623 301 A CB -0.755 17.594 19.000 -1.085 0.000 0.818 301 A HN 0.554 nan 8.150 nan 0.000 0.443 302 A N -1.125 121.163 122.820 -0.886 0.000 1.873 302 A HA -0.041 4.272 4.320 -0.011 0.000 0.215 302 A C 2.310 179.395 177.584 -0.831 0.000 1.186 302 A CA 2.197 53.537 52.037 -1.160 0.000 0.616 302 A CB -1.276 16.397 19.000 -2.212 0.000 0.823 302 A HN 0.414 nan 8.150 nan 0.000 0.442 303 T N 0.501 114.690 114.554 -0.609 0.000 2.720 303 T HA -0.111 4.232 4.350 -0.011 0.000 0.268 303 T C 1.821 176.237 174.700 -0.473 0.000 1.037 303 T CA 1.492 63.355 62.100 -0.395 0.000 1.144 303 T CB -0.381 68.249 68.868 -0.397 0.000 0.864 303 T HN 0.329 nan 8.240 nan 0.000 0.444 304 L N 0.646 121.637 121.223 -0.387 0.000 2.083 304 L HA -0.147 4.186 4.340 -0.011 0.000 0.209 304 L C 2.915 179.654 176.870 -0.217 0.000 1.083 304 L CA 1.361 56.024 54.840 -0.295 0.000 0.752 304 L CB -0.472 41.454 42.059 -0.221 0.000 0.899 304 L HN 0.348 nan 8.230 nan 0.000 0.433 305 Q N -0.660 119.016 119.800 -0.206 0.000 2.124 305 Q HA -0.247 4.086 4.340 -0.011 0.000 0.202 305 Q C 1.694 177.653 176.000 -0.069 0.000 0.977 305 Q CA 1.654 57.387 55.803 -0.116 0.000 0.850 305 Q CB -0.104 28.560 28.738 -0.123 0.000 0.901 305 Q HN 0.417 nan 8.270 nan 0.000 0.429 306 D N 0.571 120.920 120.400 -0.086 0.000 2.117 306 D HA -0.081 4.552 4.640 -0.011 0.000 0.198 306 D C 1.664 177.897 176.300 -0.113 0.000 0.982 306 D CA 0.798 54.788 54.000 -0.016 0.000 0.828 306 D CB -0.003 40.878 40.800 0.135 0.000 0.967 306 D HN 0.149 nan 8.370 nan 0.000 0.464 307 I N 0.095 120.486 120.570 -0.298 0.000 2.226 307 I HA -0.233 3.930 4.170 -0.011 0.000 0.245 307 I C 2.202 178.311 176.117 -0.014 0.000 1.100 307 I CA 0.763 61.834 61.300 -0.383 0.000 1.374 307 I CB -0.074 37.544 38.000 -0.636 0.000 1.057 307 I HN 0.047 nan 8.210 nan 0.000 0.413 308 I N 0.144 120.755 120.570 0.068 0.000 2.439 308 I HA -0.239 3.924 4.170 -0.011 0.000 0.251 308 I C 2.735 178.983 176.117 0.218 0.000 1.139 308 I CA 0.877 62.325 61.300 0.246 0.000 1.438 308 I CB -0.300 37.806 38.000 0.176 0.000 1.085 308 I HN 0.168 nan 8.210 nan 0.000 0.427 309 R N 1.107 121.673 120.500 0.110 0.000 2.081 309 R HA -0.187 4.146 4.340 -0.011 0.000 0.235 309 R C 2.429 178.783 176.300 0.089 0.000 1.131 309 R CA 1.507 57.659 56.100 0.087 0.000 0.960 309 R CB -0.209 30.122 30.300 0.051 0.000 0.856 309 R HN 0.199 nan 8.270 nan 0.000 0.436 310 R N -0.628 119.926 120.500 0.090 0.000 2.096 310 R HA -0.151 4.182 4.340 -0.011 0.000 0.235 310 R C 2.133 178.516 176.300 0.138 0.000 1.127 310 R CA 1.699 57.863 56.100 0.107 0.000 0.968 310 R CB -0.318 30.043 30.300 0.102 0.000 0.861 310 R HN 0.269 nan 8.270 nan 0.000 0.440 311 F N 1.512 121.470 119.950 0.012 0.000 2.146 311 F HA -0.087 4.434 4.527 -0.011 0.000 0.298 311 F C 1.683 177.423 175.800 -0.100 0.000 1.096 311 F CA 1.398 59.360 58.000 -0.063 0.000 1.275 311 F CB 0.035 39.018 39.000 -0.028 0.000 1.008 311 F HN -0.176 nan 8.300 nan 0.000 0.480 312 K N -0.051 120.303 120.400 -0.077 0.000 2.280 312 K HA -0.100 4.213 4.320 -0.011 0.000 0.202 312 K C 2.081 178.600 176.600 -0.135 0.000 1.047 312 K CA 1.283 57.464 56.287 -0.177 0.000 0.942 312 K CB -0.176 32.330 32.500 0.010 0.000 0.739 312 K HN 0.281 nan 8.250 nan 0.000 0.457 313 S N 0.124 115.793 115.700 -0.051 0.000 2.310 313 S HA -0.031 4.432 4.470 -0.011 0.000 0.205 313 S C 1.293 175.899 174.600 0.009 0.000 1.020 313 S CA 0.223 58.440 58.200 0.029 0.000 0.939 313 S CB -0.064 63.211 63.200 0.124 0.000 0.919 313 S HN 0.242 nan 8.310 nan 0.000 0.501 314 S N 0.849 116.559 115.700 0.017 0.000 4.134 314 S HA -0.300 4.163 4.470 -0.011 0.000 0.538 314 S C 1.064 175.656 174.600 -0.014 0.000 1.224 314 S CA 2.168 60.377 58.200 0.015 0.000 3.613 314 S CB -0.639 62.572 63.200 0.019 0.000 2.065 314 S HN 0.482 nan 8.310 nan 0.000 0.493 315 K N -0.672 119.767 120.400 0.066 0.000 2.477 315 K HA 0.440 4.753 4.320 -0.011 0.000 0.208 315 K C 0.958 177.451 176.600 -0.179 0.000 1.117 315 K CA 0.024 56.250 56.287 -0.101 0.000 1.039 315 K CB 0.233 32.622 32.500 -0.184 0.000 0.937 315 K HN 0.328 nan 8.250 nan 0.000 0.570 316 F N -0.608 119.195 119.950 -0.246 0.000 2.446 316 F HA 0.224 4.745 4.527 -0.011 0.000 0.292 316 F C 1.795 177.478 175.800 -0.196 0.000 1.096 316 F CA 0.293 58.140 58.000 -0.254 0.000 1.438 316 F CB -0.089 38.647 39.000 -0.441 0.000 1.107 316 F HN -0.006 nan 8.300 nan 0.000 0.546 317 G N -1.643 107.171 108.800 0.023 0.000 3.452 317 G HA2 0.249 4.202 3.960 -0.011 0.000 0.258 317 G HA3 0.249 4.202 3.960 -0.011 0.000 0.258 317 G C 0.344 175.244 174.900 -0.000 0.000 1.305 317 G CA 0.387 45.487 45.100 0.000 0.000 1.514 317 G HN 0.433 nan 8.290 nan 0.000 0.593 318 C N -1.370 117.914 119.300 -0.026 0.000 3.489 318 C HA 0.365 4.818 4.460 -0.011 0.000 0.408 318 C C 1.300 176.257 174.990 -0.056 0.000 1.581 318 C CA 0.781 59.775 59.018 -0.039 0.000 2.051 318 C CB 0.486 28.189 27.740 -0.062 0.000 2.483 318 C HN 0.588 nan 8.230 nan 0.000 0.495 319 R N 1.003 121.444 120.500 -0.098 0.000 3.342 319 R HA 0.374 4.708 4.340 -0.011 0.000 0.093 319 R C -0.316 175.881 176.300 -0.172 0.000 0.672 319 R CA 0.981 57.016 56.100 -0.107 0.000 0.495 319 R CB -1.036 29.206 30.300 -0.098 0.000 0.508 319 R HN 0.293 nan 8.270 nan 0.000 0.335 320 D N -0.273 119.988 120.400 -0.231 0.000 3.455 320 D HA -0.136 4.498 4.640 -0.011 0.000 0.216 320 D C -1.610 174.584 176.300 -0.176 0.000 1.510 320 D CA 1.468 55.275 54.000 -0.322 0.000 1.128 320 D CB -1.242 39.144 40.800 -0.690 0.000 0.680 320 D HN 0.399 nan 8.370 nan 0.000 0.828 321 P HA 0.032 nan 4.420 nan 0.000 0.222 321 P C 0.391 177.677 177.300 -0.023 0.000 1.147 321 P CA 0.943 64.014 63.100 -0.048 0.000 0.790 321 P CB 0.233 31.934 31.700 0.002 0.000 0.780 322 V N -0.592 119.309 119.914 -0.022 0.000 3.559 322 V HA -0.206 3.907 4.120 -0.011 0.000 0.476 322 V C -0.281 175.829 176.094 0.027 0.000 0.682 322 V CA 1.142 63.441 62.300 -0.001 0.000 1.988 322 V CB -1.246 30.570 31.823 -0.013 0.000 2.423 322 V HN 0.575 nan 8.190 nan 0.000 0.500 323 R N 2.862 123.388 120.500 0.045 0.000 7.363 323 R HA 0.024 4.357 4.340 -0.011 0.000 0.261 323 R C -0.005 176.342 176.300 0.078 0.000 0.794 323 R CA 0.502 56.638 56.100 0.061 0.000 1.826 323 R CB -0.222 30.116 30.300 0.064 0.000 1.258 323 R HN 0.806 nan 8.270 nan 0.000 0.877 324 T N 2.944 117.539 114.554 0.069 0.000 3.057 324 T HA -0.032 4.312 4.350 -0.011 0.000 0.232 324 T C 0.243 174.980 174.700 0.063 0.000 1.018 324 T CA 0.350 62.464 62.100 0.022 0.000 1.506 324 T CB -0.807 68.093 68.868 0.052 0.000 1.063 324 T HN 0.350 nan 8.240 nan 0.000 0.613 325 N N 1.351 120.107 118.700 0.093 0.000 2.406 325 N HA 0.280 5.014 4.740 -0.011 0.000 0.251 325 N C 0.145 175.739 175.510 0.140 0.000 1.069 325 N CA -0.505 52.644 53.050 0.164 0.000 0.947 325 N CB 0.417 39.015 38.487 0.185 0.000 1.111 325 N HN 0.385 nan 8.380 nan 0.000 0.497 326 F N 0.669 120.703 119.950 0.140 0.000 2.769 326 F HA 0.044 4.564 4.527 -0.011 0.000 0.304 326 F C 1.527 177.365 175.800 0.063 0.000 1.158 326 F CA 0.138 58.176 58.000 0.063 0.000 1.398 326 F CB 0.173 39.092 39.000 -0.135 0.000 1.094 326 F HN 0.560 nan 8.300 nan 0.000 0.553 327 D N 0.200 120.738 120.400 0.230 0.000 2.219 327 D HA -0.110 4.523 4.640 -0.011 0.000 0.205 327 D C 2.145 178.550 176.300 0.174 0.000 0.970 327 D CA 1.148 55.252 54.000 0.174 0.000 0.851 327 D CB 0.135 41.027 40.800 0.153 0.000 0.943 327 D HN 0.327 nan 8.370 nan 0.000 0.488 328 A N -0.019 122.942 122.820 0.235 0.000 2.275 328 A HA 0.036 4.350 4.320 -0.011 0.000 0.212 328 A C 1.596 179.253 177.584 0.121 0.000 1.201 328 A CA -0.301 51.885 52.037 0.249 0.000 0.843 328 A CB -0.501 18.792 19.000 0.489 0.000 0.873 328 A HN 0.088 nan 8.150 nan 0.000 0.492 329 F N 2.203 122.020 119.950 -0.221 0.000 2.063 329 F HA -0.138 4.383 4.527 -0.011 0.000 0.298 329 F C -0.841 174.786 175.800 -0.288 0.000 1.109 329 F CA 2.433 60.056 58.000 -0.628 0.000 1.212 329 F CB -0.837 37.851 39.000 -0.521 0.000 0.973 329 F HN 0.196 nan 8.300 nan 0.000 0.480 330 P HA -0.086 nan 4.420 nan 0.000 0.225 330 P C 0.739 177.983 177.300 -0.093 0.000 1.148 330 P CA 1.467 64.511 63.100 -0.094 0.000 0.779 330 P CB -0.071 31.618 31.700 -0.018 0.000 0.780 331 D N -0.987 119.386 120.400 -0.045 0.000 2.333 331 D HA -0.012 4.622 4.640 -0.011 0.000 0.208 331 D C 1.562 177.862 176.300 0.000 0.000 0.984 331 D CA 0.824 54.830 54.000 0.009 0.000 0.873 331 D CB 0.126 40.975 40.800 0.081 0.000 0.935 331 D HN 0.094 nan 8.370 nan 0.000 0.521 332 K N -0.060 120.300 120.400 -0.066 0.000 2.380 332 K HA 0.218 4.531 4.320 -0.011 0.000 0.198 332 K C 0.021 176.515 176.600 -0.177 0.000 1.070 332 K CA 0.087 56.346 56.287 -0.046 0.000 1.040 332 K CB 2.118 34.689 32.500 0.119 0.000 0.903 332 K HN -0.051 nan 8.250 nan 0.000 0.549 333 V N 0.654 120.355 119.914 -0.356 0.000 2.789 333 V HA 0.716 4.830 4.120 -0.011 0.000 0.311 333 V C -1.184 174.788 176.094 -0.203 0.000 1.073 333 V CA -1.277 60.809 62.300 -0.356 0.000 0.921 333 V CB 1.974 33.286 31.823 -0.852 0.000 1.009 333 V HN 0.100 nan 8.190 nan 0.000 0.426 334 A N 4.602 127.367 122.820 -0.091 0.000 2.402 334 A HA 0.893 5.207 4.320 -0.011 0.000 0.291 334 A C -1.155 176.436 177.584 0.011 0.000 1.051 334 A CA -0.419 51.601 52.037 -0.030 0.000 0.716 334 A CB 1.324 20.263 19.000 -0.102 0.000 1.223 334 A HN 1.325 nan 8.150 nan 0.000 0.425 335 I N 0.649 121.274 120.570 0.093 0.000 2.410 335 I HA 0.709 4.872 4.170 -0.011 0.000 0.286 335 I C -0.632 175.565 176.117 0.133 0.000 1.009 335 I CA -0.414 60.958 61.300 0.119 0.000 1.111 335 I CB 1.847 39.901 38.000 0.091 0.000 1.262 335 I HN 0.538 nan 8.210 nan 0.000 0.443 336 Q N 5.841 125.720 119.800 0.131 0.000 2.278 336 Q HA 0.528 4.861 4.340 -0.011 0.000 0.257 336 Q C -1.604 174.395 176.000 -0.002 0.000 0.928 336 Q CA -0.414 55.497 55.803 0.180 0.000 0.932 336 Q CB 1.458 30.418 28.738 0.369 0.000 1.221 336 Q HN 0.766 nan 8.270 nan 0.000 0.434 337 L N 4.340 125.601 121.223 0.063 0.000 2.261 337 L HA 0.330 4.664 4.340 -0.011 0.000 0.289 337 L C -0.308 176.595 176.870 0.056 0.000 1.059 337 L CA -0.197 54.675 54.840 0.053 0.000 0.816 337 L CB 0.572 42.710 42.059 0.133 0.000 1.191 337 L HN 0.614 nan 8.230 nan 0.000 0.431 338 N N 4.172 122.836 118.700 -0.060 0.000 2.508 338 N HA 0.135 4.868 4.740 -0.011 0.000 0.253 338 N C -0.128 175.446 175.510 0.105 0.000 1.145 338 N CA 0.473 53.559 53.050 0.059 0.000 0.973 338 N CB -0.121 38.338 38.487 -0.048 0.000 1.305 338 N HN 0.559 nan 8.380 nan 0.000 0.506 339 D N -0.266 120.271 120.400 0.229 0.000 4.808 339 D HA -0.219 4.415 4.640 -0.011 0.000 0.304 339 D C 0.346 176.730 176.300 0.139 0.000 2.360 339 D CA 1.478 55.587 54.000 0.181 0.000 1.222 339 D CB -0.539 40.115 40.800 -0.242 0.000 1.085 339 D HN 0.495 nan 8.370 nan 0.000 1.266 340 T N -2.386 112.170 114.554 0.003 0.000 3.129 340 T HA 0.103 4.447 4.350 -0.011 0.000 0.251 340 T C 1.626 176.376 174.700 0.083 0.000 1.117 340 T CA 1.479 63.558 62.100 -0.036 0.000 1.034 340 T CB -0.501 68.313 68.868 -0.091 0.000 0.968 340 T HN 0.502 nan 8.240 nan 0.000 0.526 341 H N 2.535 121.685 119.070 0.134 0.000 2.387 341 H HA -0.000 4.549 4.556 -0.011 0.000 0.299 341 H C -0.833 174.581 175.328 0.143 0.000 1.099 341 H CA 1.032 57.177 56.048 0.161 0.000 1.315 341 H CB -0.758 29.105 29.762 0.167 0.000 1.380 341 H HN 0.450 nan 8.280 nan 0.000 0.513 342 P HA 0.075 nan 4.420 nan 0.000 0.263 342 P C 0.873 178.214 177.300 0.069 0.000 1.448 342 P CA 0.371 63.550 63.100 0.131 0.000 0.983 342 P CB 0.410 32.177 31.700 0.113 0.000 1.481 343 S N -0.156 115.576 115.700 0.053 0.000 2.440 343 S HA -0.123 4.340 4.470 -0.011 0.000 0.238 343 S C 1.691 176.294 174.600 0.005 0.000 1.010 343 S CA 0.778 58.970 58.200 -0.013 0.000 0.972 343 S CB -1.466 61.696 63.200 -0.063 0.000 0.774 343 S HN 0.149 nan 8.310 nan 0.000 0.501 344 L N 0.788 122.034 121.223 0.037 0.000 2.549 344 L HA 0.088 4.421 4.340 -0.011 0.000 0.229 344 L C 2.856 179.769 176.870 0.073 0.000 1.158 344 L CA 0.552 55.425 54.840 0.054 0.000 0.842 344 L CB -0.662 41.437 42.059 0.067 0.000 0.952 344 L HN 0.490 nan 8.230 nan 0.000 0.452 345 A N 0.450 123.286 122.820 0.027 0.000 1.972 345 A HA -0.170 4.144 4.320 -0.011 0.000 0.219 345 A C 2.151 179.729 177.584 -0.010 0.000 1.169 345 A CA 1.305 53.339 52.037 -0.005 0.000 0.635 345 A CB -0.362 18.625 19.000 -0.022 0.000 0.810 345 A HN 0.342 nan 8.150 nan 0.000 0.446 346 I N 0.387 120.954 120.570 -0.006 0.000 2.090 346 I HA -0.147 4.017 4.170 -0.011 0.000 0.236 346 I C -0.388 175.737 176.117 0.014 0.000 1.064 346 I CA 1.627 62.919 61.300 -0.014 0.000 1.324 346 I CB -0.900 37.098 38.000 -0.002 0.000 1.044 346 I HN 0.234 nan 8.210 nan 0.000 0.399 347 P HA -0.172 nan 4.420 nan 0.000 0.226 347 P C 1.189 178.473 177.300 -0.026 0.000 1.153 347 P CA 1.470 64.587 63.100 0.027 0.000 0.777 347 P CB 0.028 31.764 31.700 0.061 0.000 0.794 348 E N 0.031 120.283 120.200 0.087 0.000 2.112 348 E HA -0.109 4.234 4.350 -0.011 0.000 0.190 348 E C 1.874 178.438 176.600 -0.060 0.000 0.979 348 E CA 0.441 56.908 56.400 0.112 0.000 0.814 348 E CB -1.093 28.743 29.700 0.226 0.000 0.762 348 E HN -0.037 nan 8.360 nan 0.000 0.460 349 L N 0.131 121.295 121.223 -0.100 0.000 2.093 349 L HA -0.048 4.285 4.340 -0.011 0.000 0.208 349 L C 1.976 178.689 176.870 -0.262 0.000 1.085 349 L CA 1.687 56.411 54.840 -0.192 0.000 0.755 349 L CB -0.582 41.369 42.059 -0.180 0.000 0.904 349 L HN 0.251 nan 8.230 nan 0.000 0.435 350 M N -0.871 118.589 119.600 -0.234 0.000 2.132 350 M HA -0.180 4.293 4.480 -0.011 0.000 0.263 350 M C 2.396 178.508 176.300 -0.314 0.000 1.065 350 M CA 1.423 56.530 55.300 -0.322 0.000 1.122 350 M CB -1.156 31.244 32.600 -0.334 0.000 1.365 350 M HN 0.312 nan 8.290 nan 0.000 0.411 351 R N -0.002 120.338 120.500 -0.267 0.000 2.083 351 R HA -0.127 4.206 4.340 -0.011 0.000 0.237 351 R C 2.060 178.241 176.300 -0.198 0.000 1.137 351 R CA 1.561 57.510 56.100 -0.252 0.000 0.951 351 R CB -0.152 29.943 30.300 -0.341 0.000 0.851 351 R HN 0.190 nan 8.270 nan 0.000 0.434 352 V N 1.427 121.221 119.914 -0.199 0.000 2.270 352 V HA -0.254 3.859 4.120 -0.011 0.000 0.245 352 V C 2.458 178.381 176.094 -0.284 0.000 1.043 352 V CA 1.771 63.951 62.300 -0.200 0.000 1.014 352 V CB -0.428 31.272 31.823 -0.205 0.000 0.645 352 V HN 0.338 nan 8.190 nan 0.000 0.447 353 L N -0.528 120.455 121.223 -0.399 0.000 1.989 353 L HA -0.186 4.148 4.340 -0.011 0.000 0.211 353 L C 2.455 179.130 176.870 -0.326 0.000 1.071 353 L CA 1.449 55.989 54.840 -0.500 0.000 0.749 353 L CB -0.716 41.006 42.059 -0.561 0.000 0.890 353 L HN 0.205 nan 8.230 nan 0.000 0.431 354 V N -0.461 119.295 119.914 -0.263 0.000 2.283 354 V HA -0.224 3.889 4.120 -0.011 0.000 0.243 354 V C 2.040 178.080 176.094 -0.090 0.000 1.039 354 V CA 1.848 64.055 62.300 -0.154 0.000 1.016 354 V CB -0.386 31.357 31.823 -0.132 0.000 0.650 354 V HN 0.393 nan 8.190 nan 0.000 0.449 355 D N -0.259 120.083 120.400 -0.097 0.000 2.137 355 D HA -0.006 4.627 4.640 -0.011 0.000 0.202 355 D C 2.071 178.339 176.300 -0.053 0.000 0.970 355 D CA 1.125 55.090 54.000 -0.058 0.000 0.837 355 D CB 0.046 40.810 40.800 -0.061 0.000 0.981 355 D HN 0.318 nan 8.370 nan 0.000 0.475 356 L N 0.360 121.535 121.223 -0.080 0.000 2.189 356 L HA 0.078 4.412 4.340 -0.011 0.000 0.199 356 L C 2.001 178.835 176.870 -0.061 0.000 1.074 356 L CA 0.557 55.361 54.840 -0.060 0.000 0.783 356 L CB -0.165 41.857 42.059 -0.061 0.000 0.955 356 L HN -0.171 nan 8.230 nan 0.000 0.460 357 E N 0.786 120.913 120.200 -0.121 0.000 2.358 357 E HA -0.020 4.323 4.350 -0.011 0.000 0.195 357 E C 0.093 176.653 176.600 -0.068 0.000 1.010 357 E CA 0.051 56.387 56.400 -0.106 0.000 0.856 357 E CB 0.136 29.657 29.700 -0.298 0.000 0.795 357 E HN 0.267 nan 8.360 nan 0.000 0.504 358 R N -0.047 120.407 120.500 -0.078 0.000 3.332 358 R HA -0.187 4.146 4.340 -0.011 0.000 0.263 358 R C -0.550 175.731 176.300 -0.032 0.000 1.053 358 R CA 0.221 56.299 56.100 -0.037 0.000 0.705 358 R CB -2.504 27.795 30.300 -0.001 0.000 1.166 358 R HN 0.039 nan 8.270 nan 0.000 0.427 359 L N 1.591 122.766 121.223 -0.080 0.000 2.399 359 L HA 0.235 4.569 4.340 -0.011 0.000 0.265 359 L C 1.222 178.079 176.870 -0.021 0.000 1.089 359 L CA -0.043 54.762 54.840 -0.059 0.000 0.802 359 L CB 0.580 42.556 42.059 -0.139 0.000 1.180 359 L HN 0.150 nan 8.230 nan 0.000 0.454 360 D N 0.159 120.572 120.400 0.022 0.000 2.362 360 D HA -0.121 4.513 4.640 -0.011 0.000 0.242 360 D C 0.960 177.319 176.300 0.099 0.000 1.132 360 D CA -0.510 53.538 54.000 0.079 0.000 0.907 360 D CB 0.752 41.606 40.800 0.090 0.000 1.195 360 D HN 0.592 nan 8.370 nan 0.000 0.429 361 W N 2.201 123.504 121.300 0.004 0.000 2.301 361 W HA -0.255 4.398 4.660 -0.011 0.000 0.325 361 W C 1.196 177.760 176.519 0.074 0.000 1.250 361 W CA 2.034 59.389 57.345 0.017 0.000 1.261 361 W CB -0.310 29.142 29.460 -0.013 0.000 1.157 361 W HN 0.507 nan 8.180 nan 0.000 0.473 362 D N 0.031 120.629 120.400 0.330 0.000 2.149 362 D HA -0.202 4.432 4.640 -0.011 0.000 0.198 362 D C 2.058 178.455 176.300 0.162 0.000 0.990 362 D CA 1.331 55.496 54.000 0.275 0.000 0.839 362 D CB -0.358 40.581 40.800 0.231 0.000 0.948 362 D HN 0.117 nan 8.370 nan 0.000 0.460 363 K N 1.045 121.498 120.400 0.088 0.000 2.025 363 K HA -0.014 4.299 4.320 -0.011 0.000 0.207 363 K C 2.029 178.615 176.600 -0.024 0.000 1.049 363 K CA 0.880 57.192 56.287 0.042 0.000 0.933 363 K CB -0.278 32.243 32.500 0.034 0.000 0.714 363 K HN 0.010 nan 8.250 nan 0.000 0.438 364 A N 0.961 123.722 122.820 -0.097 0.000 1.908 364 A HA -0.201 4.112 4.320 -0.011 0.000 0.218 364 A C 2.132 179.611 177.584 -0.176 0.000 1.181 364 A CA 1.395 53.302 52.037 -0.217 0.000 0.627 364 A CB -1.093 17.703 19.000 -0.339 0.000 0.818 364 A HN 0.660 nan 8.150 nan 0.000 0.445 365 W N 0.651 121.744 121.300 -0.344 0.000 2.363 365 W HA -0.156 4.498 4.660 -0.011 0.000 0.296 365 W C 1.978 178.441 176.519 -0.093 0.000 1.212 365 W CA 1.790 58.989 57.345 -0.242 0.000 1.260 365 W CB -0.084 29.285 29.460 -0.151 0.000 1.131 365 W HN 0.613 nan 8.180 nan 0.000 0.530 366 E N 0.123 120.307 120.200 -0.027 0.000 2.051 366 E HA -0.218 4.125 4.350 -0.011 0.000 0.192 366 E C 2.055 178.569 176.600 -0.143 0.000 0.991 366 E CA 1.851 58.203 56.400 -0.080 0.000 0.799 366 E CB -0.297 29.416 29.700 0.022 0.000 0.748 366 E HN 0.057 nan 8.360 nan 0.000 0.449 367 V N 0.722 120.565 119.914 -0.117 0.000 2.295 367 V HA -0.267 3.846 4.120 -0.011 0.000 0.246 367 V C 2.442 178.458 176.094 -0.129 0.000 1.049 367 V CA 2.223 64.470 62.300 -0.088 0.000 1.024 367 V CB -0.821 30.937 31.823 -0.108 0.000 0.648 367 V HN 0.373 nan 8.190 nan 0.000 0.447 368 T N 0.041 114.444 114.554 -0.251 0.000 2.684 368 T HA -0.185 4.158 4.350 -0.011 0.000 0.267 368 T C 1.923 176.420 174.700 -0.337 0.000 1.036 368 T CA 1.825 63.748 62.100 -0.294 0.000 1.148 368 T CB -0.287 68.347 68.868 -0.390 0.000 0.863 368 T HN 0.275 nan 8.240 nan 0.000 0.436 369 V N 1.079 120.665 119.914 -0.546 0.000 2.490 369 V HA -0.130 3.983 4.120 -0.011 0.000 0.250 369 V C 2.359 178.388 176.094 -0.109 0.000 1.061 369 V CA 1.542 63.587 62.300 -0.426 0.000 1.064 369 V CB -0.452 31.045 31.823 -0.544 0.000 0.670 369 V HN 0.422 nan 8.190 nan 0.000 0.461 370 K N -0.223 120.104 120.400 -0.120 0.000 2.296 370 K HA -0.089 4.224 4.320 -0.011 0.000 0.200 370 K C 2.177 178.753 176.600 -0.041 0.000 1.048 370 K CA 1.494 57.715 56.287 -0.110 0.000 0.966 370 K CB -0.090 32.342 32.500 -0.114 0.000 0.754 370 K HN 0.633 nan 8.250 nan 0.000 0.466 371 T N -2.021 112.560 114.554 0.044 0.000 3.037 371 T HA 0.100 4.443 4.350 -0.011 0.000 0.251 371 T C 0.631 175.430 174.700 0.164 0.000 1.079 371 T CA -0.298 61.859 62.100 0.095 0.000 1.067 371 T CB -0.040 68.890 68.868 0.103 0.000 0.948 371 T HN -0.005 nan 8.240 nan 0.000 0.496 372 C N 2.487 121.871 119.300 0.139 0.000 2.365 372 C HA 0.926 5.379 4.460 -0.011 0.000 0.351 372 C C 0.545 175.576 174.990 0.069 0.000 1.240 372 C CA -0.726 58.349 59.018 0.094 0.000 2.062 372 C CB 0.295 28.030 27.740 -0.008 0.000 2.387 372 C HN 0.757 nan 8.230 nan 0.000 0.537 373 A N 2.168 125.020 122.820 0.054 0.000 2.486 373 A HA 0.748 5.062 4.320 -0.011 0.000 0.300 373 A C -1.646 175.995 177.584 0.095 0.000 1.048 373 A CA -0.374 51.642 52.037 -0.036 0.000 0.696 373 A CB 1.111 20.099 19.000 -0.021 0.000 1.278 373 A HN 0.912 nan 8.150 nan 0.000 0.405 374 Y N 0.978 121.212 120.300 -0.112 0.000 2.409 374 Y HA 0.704 5.247 4.550 -0.011 0.000 0.343 374 Y C -0.575 175.283 175.900 -0.070 0.000 0.973 374 Y CA -0.585 57.462 58.100 -0.088 0.000 1.064 374 Y CB 2.123 40.494 38.460 -0.148 0.000 1.207 374 Y HN 0.546 nan 8.280 nan 0.000 0.452 375 T N 6.920 121.250 114.554 -0.375 0.000 2.770 375 T HA 0.242 4.585 4.350 -0.011 0.000 0.283 375 T C -0.735 173.467 174.700 -0.831 0.000 0.988 375 T CA -0.801 60.997 62.100 -0.504 0.000 0.957 375 T CB 0.266 69.068 68.868 -0.110 0.000 0.930 375 T HN 0.676 nan 8.240 nan 0.000 0.443 376 N N 1.759 119.963 118.700 -0.828 0.000 2.479 376 N HA 0.141 4.875 4.740 -0.011 0.000 0.285 376 N C 0.083 175.437 175.510 -0.259 0.000 1.075 376 N CA -0.334 52.464 53.050 -0.420 0.000 0.967 376 N CB 0.783 39.200 38.487 -0.116 0.000 1.137 376 N HN 0.668 nan 8.380 nan 0.000 0.472 377 H N 0.813 119.916 119.070 0.055 0.000 2.893 377 H HA 0.155 4.704 4.556 -0.011 0.000 0.270 377 H C -0.122 175.113 175.328 -0.156 0.000 1.095 377 H CA 0.029 56.056 56.048 -0.036 0.000 1.186 377 H CB 1.209 30.957 29.762 -0.023 0.000 1.562 377 H HN 0.517 nan 8.280 nan 0.000 0.536 378 T N 0.253 114.825 114.554 0.030 0.000 2.840 378 T HA 0.271 4.615 4.350 -0.011 0.000 0.317 378 T C 0.403 175.109 174.700 0.009 0.000 1.401 378 T CA -0.361 61.697 62.100 -0.071 0.000 1.028 378 T CB 1.436 70.261 68.868 -0.071 0.000 1.317 378 T HN -0.053 nan 8.240 nan 0.000 0.495 379 V N 1.567 121.447 119.914 -0.056 0.000 3.528 379 V HA 0.496 4.609 4.120 -0.011 0.000 0.294 379 V C 0.894 176.940 176.094 -0.081 0.000 1.404 379 V CA -0.018 62.247 62.300 -0.058 0.000 1.065 379 V CB -0.800 30.996 31.823 -0.045 0.000 0.904 379 V HN 0.789 nan 8.190 nan 0.000 0.435 380 I N -0.535 119.976 120.570 -0.099 0.000 2.556 380 I HA 0.341 4.505 4.170 -0.011 0.000 0.284 380 I C -0.718 175.380 176.117 -0.031 0.000 1.114 380 I CA -1.764 59.502 61.300 -0.058 0.000 1.418 380 I CB 0.638 38.596 38.000 -0.070 0.000 1.394 380 I HN -0.067 nan 8.210 nan 0.000 0.552 381 P HA -0.258 nan 4.420 nan 0.000 0.216 381 P C 1.123 178.403 177.300 -0.033 0.000 1.153 381 P CA 1.654 64.740 63.100 -0.025 0.000 0.858 381 P CB -0.119 31.575 31.700 -0.010 0.000 0.789 382 E N 0.252 120.450 120.200 -0.004 0.000 2.409 382 E HA -0.066 4.277 4.350 -0.011 0.000 0.198 382 E C 1.660 178.181 176.600 -0.132 0.000 1.024 382 E CA 1.143 57.504 56.400 -0.065 0.000 0.861 382 E CB -0.719 29.020 29.700 0.065 0.000 0.788 382 E HN 0.215 nan 8.360 nan 0.000 0.521 383 A N 1.143 123.943 122.820 -0.033 0.000 2.147 383 A HA 0.176 4.489 4.320 -0.011 0.000 0.211 383 A C 1.264 178.827 177.584 -0.035 0.000 1.160 383 A CA -0.239 51.802 52.037 0.006 0.000 0.781 383 A CB 0.061 19.085 19.000 0.039 0.000 0.842 383 A HN 0.144 nan 8.150 nan 0.000 0.475 384 L N 1.692 122.855 121.223 -0.099 0.000 2.455 384 L HA 0.112 4.446 4.340 -0.011 0.000 0.272 384 L C 0.024 176.589 176.870 -0.509 0.000 1.174 384 L CA 0.519 55.243 54.840 -0.194 0.000 0.869 384 L CB 0.278 42.248 42.059 -0.148 0.000 1.130 384 L HN 0.408 nan 8.230 nan 0.000 0.474 385 E N 4.691 124.482 120.200 -0.681 0.000 2.105 385 E HA 0.203 4.546 4.350 -0.011 0.000 0.285 385 E C -0.499 175.471 176.600 -1.050 0.000 1.055 385 E CA -0.231 55.313 56.400 -1.426 0.000 0.843 385 E CB 0.667 29.856 29.700 -0.851 0.000 1.067 385 E HN 0.364 nan 8.360 nan 0.000 0.398 386 R N 3.818 123.601 120.500 -1.195 0.000 2.407 386 R HA 0.207 4.541 4.340 -0.011 0.000 0.298 386 R C -1.203 174.954 176.300 -0.240 0.000 1.166 386 R CA -0.561 55.269 56.100 -0.449 0.000 1.006 386 R CB 0.889 31.059 30.300 -0.217 0.000 1.145 386 R HN 0.423 nan 8.270 nan 0.000 0.538 387 W N 4.685 125.937 121.300 -0.081 0.000 2.322 387 W HA 0.267 4.920 4.660 -0.011 0.000 0.307 387 W C -1.903 174.601 176.519 -0.024 0.000 1.220 387 W CA -2.183 55.177 57.345 0.025 0.000 1.210 387 W CB 0.831 30.278 29.460 -0.022 0.000 1.223 387 W HN 0.258 nan 8.180 nan 0.000 0.511 388 P HA -0.091 nan 4.420 nan 0.000 0.265 388 P C 0.776 178.043 177.300 -0.054 0.000 1.193 388 P CA 0.202 63.325 63.100 0.039 0.000 0.765 388 P CB 0.794 32.416 31.700 -0.131 0.000 0.823 389 V N 3.191 123.125 119.914 0.034 0.000 2.392 389 V HA -0.279 3.835 4.120 -0.011 0.000 0.249 389 V C 2.102 178.207 176.094 0.019 0.000 1.059 389 V CA 2.486 64.808 62.300 0.037 0.000 1.051 389 V CB -1.762 30.142 31.823 0.134 0.000 0.658 389 V HN 0.761 nan 8.190 nan 0.000 0.455 390 H N -1.265 117.859 119.070 0.090 0.000 2.489 390 H HA -0.081 4.468 4.556 -0.011 0.000 0.293 390 H C 2.032 177.402 175.328 0.070 0.000 1.066 390 H CA 1.560 57.656 56.048 0.079 0.000 1.305 390 H CB -0.421 29.390 29.762 0.081 0.000 1.386 390 H HN 0.371 nan 8.280 nan 0.000 0.551 391 L N -0.074 120.946 121.223 -0.340 0.000 2.068 391 L HA -0.039 4.295 4.340 -0.011 0.000 0.204 391 L C 2.348 179.136 176.870 -0.136 0.000 1.076 391 L CA 0.770 55.501 54.840 -0.181 0.000 0.753 391 L CB -0.187 41.758 42.059 -0.190 0.000 0.910 391 L HN 0.323 nan 8.230 nan 0.000 0.439 392 L N -0.424 120.702 121.223 -0.163 0.000 2.083 392 L HA -0.252 4.081 4.340 -0.011 0.000 0.209 392 L C 2.511 179.299 176.870 -0.135 0.000 1.083 392 L CA 1.213 55.935 54.840 -0.195 0.000 0.752 392 L CB -0.364 41.578 42.059 -0.195 0.000 0.899 392 L HN 0.356 nan 8.230 nan 0.000 0.433 393 E N -0.594 119.571 120.200 -0.058 0.000 2.077 393 E HA -0.214 4.129 4.350 -0.011 0.000 0.193 393 E C 1.892 178.515 176.600 0.038 0.000 0.989 393 E CA 1.825 58.228 56.400 0.004 0.000 0.800 393 E CB 0.160 29.905 29.700 0.074 0.000 0.746 393 E HN 0.404 nan 8.360 nan 0.000 0.452 394 T N 0.634 115.228 114.554 0.067 0.000 2.894 394 T HA -0.054 4.289 4.350 -0.011 0.000 0.258 394 T C 1.658 176.452 174.700 0.157 0.000 1.043 394 T CA 0.562 62.752 62.100 0.149 0.000 1.141 394 T CB -0.062 68.924 68.868 0.196 0.000 0.873 394 T HN 0.056 nan 8.240 nan 0.000 0.449 395 L N 0.197 121.411 121.223 -0.016 0.000 2.127 395 L HA 0.360 4.693 4.340 -0.011 0.000 0.203 395 L C 0.319 177.098 176.870 -0.151 0.000 1.080 395 L CA 1.587 56.292 54.840 -0.225 0.000 0.768 395 L CB 0.003 41.891 42.059 -0.285 0.000 0.924 395 L HN 0.163 nan 8.230 nan 0.000 0.444 396 L N 0.808 121.902 121.223 -0.215 0.000 2.529 396 L HA 0.299 4.633 4.340 -0.011 0.000 0.246 396 L C -1.658 175.016 176.870 -0.326 0.000 1.394 396 L CA -1.136 53.484 54.840 -0.366 0.000 0.906 396 L CB 0.871 42.549 42.059 -0.636 0.000 1.170 396 L HN -0.049 nan 8.230 nan 0.000 0.501 397 P HA -0.221 nan 4.420 nan 0.000 0.215 397 P C 1.511 178.617 177.300 -0.323 0.000 1.157 397 P CA 1.302 64.273 63.100 -0.215 0.000 0.874 397 P CB 0.335 31.981 31.700 -0.090 0.000 0.790 398 R N -0.714 119.422 120.500 -0.607 0.000 2.115 398 R HA -0.140 4.194 4.340 -0.011 0.000 0.230 398 R C 2.289 178.300 176.300 -0.482 0.000 1.111 398 R CA 1.433 57.198 56.100 -0.558 0.000 0.976 398 R CB -1.195 28.635 30.300 -0.783 0.000 0.870 398 R HN 0.236 nan 8.270 nan 0.000 0.445 399 H N -0.473 118.284 119.070 -0.522 0.000 2.462 399 H HA -0.014 4.535 4.556 -0.011 0.000 0.292 399 H C 1.683 176.835 175.328 -0.292 0.000 1.049 399 H CA 1.410 57.236 56.048 -0.370 0.000 1.334 399 H CB 0.038 29.548 29.762 -0.419 0.000 1.404 399 H HN 0.110 nan 8.280 nan 0.000 0.544 400 L N 0.352 121.446 121.223 -0.214 0.000 2.056 400 L HA -0.208 4.126 4.340 -0.011 0.000 0.207 400 L C 1.787 178.462 176.870 -0.324 0.000 1.078 400 L CA 1.540 56.187 54.840 -0.322 0.000 0.749 400 L CB -0.261 41.627 42.059 -0.284 0.000 0.901 400 L HN 0.404 nan 8.230 nan 0.000 0.433 401 Q N -0.241 119.480 119.800 -0.131 0.000 2.096 401 Q HA -0.241 4.092 4.340 -0.011 0.000 0.204 401 Q C 2.175 178.195 176.000 0.032 0.000 0.982 401 Q CA 1.713 57.532 55.803 0.025 0.000 0.850 401 Q CB -0.087 28.669 28.738 0.029 0.000 0.901 401 Q HN 0.540 nan 8.270 nan 0.000 0.422 402 I N 0.342 120.907 120.570 -0.008 0.000 2.315 402 I HA -0.268 3.895 4.170 -0.011 0.000 0.248 402 I C 2.081 178.268 176.117 0.118 0.000 1.117 402 I CA 0.990 62.367 61.300 0.129 0.000 1.404 402 I CB -0.094 37.917 38.000 0.019 0.000 1.071 402 I HN 0.213 nan 8.210 nan 0.000 0.419 403 I N -0.655 119.903 120.570 -0.021 0.000 2.315 403 I HA -0.300 3.864 4.170 -0.011 0.000 0.248 403 I C 2.326 178.453 176.117 0.017 0.000 1.117 403 I CA 1.287 62.563 61.300 -0.040 0.000 1.404 403 I CB -0.353 37.550 38.000 -0.161 0.000 1.071 403 I HN 0.161 nan 8.210 nan 0.000 0.419 404 Y N 0.951 121.252 120.300 0.002 0.000 2.200 404 Y HA -0.253 4.291 4.550 -0.011 0.000 0.290 404 Y C 2.601 178.463 175.900 -0.063 0.000 1.137 404 Y CA 1.513 59.601 58.100 -0.020 0.000 1.163 404 Y CB -0.714 37.727 38.460 -0.032 0.000 0.988 404 Y HN 0.213 nan 8.280 nan 0.000 0.518 405 E N 0.344 120.580 120.200 0.061 0.000 2.150 405 E HA -0.134 4.209 4.350 -0.011 0.000 0.193 405 E C 1.954 178.459 176.600 -0.159 0.000 0.985 405 E CA 1.222 57.516 56.400 -0.177 0.000 0.814 405 E CB -0.549 28.889 29.700 -0.436 0.000 0.752 405 E HN 0.491 nan 8.360 nan 0.000 0.466 406 I N 0.521 121.094 120.570 0.005 0.000 2.353 406 I HA -0.200 3.964 4.170 -0.011 0.000 0.248 406 I C 2.195 178.304 176.117 -0.013 0.000 1.119 406 I CA 1.114 62.371 61.300 -0.072 0.000 1.417 406 I CB -0.270 37.698 38.000 -0.052 0.000 1.078 406 I HN 0.202 nan 8.210 nan 0.000 0.421 407 N N 0.683 119.428 118.700 0.076 0.000 2.142 407 N HA -0.235 4.498 4.740 -0.011 0.000 0.186 407 N C 1.866 177.452 175.510 0.128 0.000 1.023 407 N CA 1.461 54.610 53.050 0.166 0.000 0.852 407 N CB -0.052 38.551 38.487 0.194 0.000 0.998 407 N HN 0.247 nan 8.380 nan 0.000 0.424 408 Q N -0.107 119.714 119.800 0.034 0.000 2.045 408 Q HA -0.130 4.203 4.340 -0.011 0.000 0.206 408 Q C 2.020 177.991 176.000 -0.048 0.000 0.991 408 Q CA 1.719 57.503 55.803 -0.031 0.000 0.851 408 Q CB 0.003 28.680 28.738 -0.102 0.000 0.911 408 Q HN 0.413 nan 8.270 nan 0.000 0.418 409 R N -0.825 119.623 120.500 -0.087 0.000 2.115 409 R HA -0.117 4.216 4.340 -0.011 0.000 0.230 409 R C 2.139 178.446 176.300 0.011 0.000 1.111 409 R CA 1.096 57.144 56.100 -0.087 0.000 0.976 409 R CB -0.358 29.838 30.300 -0.173 0.000 0.870 409 R HN 0.261 nan 8.270 nan 0.000 0.445 410 F N 1.698 121.608 119.950 -0.067 0.000 2.113 410 F HA -0.059 4.461 4.527 -0.011 0.000 0.297 410 F C 1.869 177.680 175.800 0.018 0.000 1.103 410 F CA 1.211 59.218 58.000 0.012 0.000 1.248 410 F CB -0.216 38.820 39.000 0.061 0.000 0.999 410 F HN -0.137 nan 8.300 nan 0.000 0.475 411 L N 0.082 121.262 121.223 -0.071 0.000 2.191 411 L HA -0.228 4.106 4.340 -0.011 0.000 0.212 411 L C 1.908 178.684 176.870 -0.157 0.000 1.103 411 L CA 1.523 56.266 54.840 -0.162 0.000 0.769 411 L CB -0.822 41.225 42.059 -0.019 0.000 0.908 411 L HN 0.262 nan 8.230 nan 0.000 0.438 412 N N -0.405 118.228 118.700 -0.111 0.000 2.244 412 N HA -0.148 4.585 4.740 -0.011 0.000 0.183 412 N C 1.914 177.357 175.510 -0.111 0.000 1.016 412 N CA 0.511 53.505 53.050 -0.094 0.000 0.866 412 N CB 0.052 38.494 38.487 -0.075 0.000 0.980 412 N HN 0.217 nan 8.380 nan 0.000 0.430 413 R N 0.540 120.952 120.500 -0.147 0.000 2.075 413 R HA -0.039 4.295 4.340 -0.011 0.000 0.232 413 R C 2.056 178.249 176.300 -0.179 0.000 1.126 413 R CA 0.842 56.857 56.100 -0.142 0.000 0.963 413 R CB -0.139 30.083 30.300 -0.130 0.000 0.858 413 R HN 0.042 nan 8.270 nan 0.000 0.435 414 V N 0.579 120.333 119.914 -0.268 0.000 2.307 414 V HA -0.228 3.885 4.120 -0.011 0.000 0.245 414 V C 2.356 178.443 176.094 -0.011 0.000 1.045 414 V CA 1.956 64.175 62.300 -0.136 0.000 1.024 414 V CB -0.764 30.899 31.823 -0.267 0.000 0.651 414 V HN 0.452 nan 8.190 nan 0.000 0.449 415 A N 0.144 122.927 122.820 -0.062 0.000 1.908 415 A HA -0.175 4.138 4.320 -0.011 0.000 0.218 415 A C 2.383 179.936 177.584 -0.050 0.000 1.181 415 A CA 2.283 54.300 52.037 -0.032 0.000 0.627 415 A CB -0.790 18.180 19.000 -0.049 0.000 0.818 415 A HN 0.605 nan 8.150 nan 0.000 0.445 416 A N -0.733 122.037 122.820 -0.084 0.000 2.015 416 A HA 0.277 4.591 4.320 -0.011 0.000 0.219 416 A C 2.348 179.832 177.584 -0.166 0.000 1.163 416 A CA 1.803 53.779 52.037 -0.102 0.000 0.646 416 A CB -0.627 18.319 19.000 -0.090 0.000 0.806 416 A HN 0.985 nan 8.150 nan 0.000 0.448 417 A N -1.508 121.162 122.820 -0.250 0.000 1.984 417 A HA 0.405 4.718 4.320 -0.011 0.000 0.214 417 A C 0.445 177.553 177.584 -0.794 0.000 1.173 417 A CA 0.426 52.136 52.037 -0.546 0.000 0.673 417 A CB -0.090 18.486 19.000 -0.707 0.000 0.830 417 A HN 0.406 nan 8.150 nan 0.000 0.453 418 F N 0.374 120.272 119.950 -0.086 0.000 2.449 418 F HA 0.353 4.873 4.527 -0.011 0.000 0.329 418 F C -2.721 173.038 175.800 -0.068 0.000 1.245 418 F CA -2.964 54.991 58.000 -0.076 0.000 1.193 418 F CB 0.640 39.587 39.000 -0.089 0.000 1.425 418 F HN -0.061 nan 8.300 nan 0.000 0.544 419 P HA 0.132 nan 4.420 nan 0.000 0.260 419 P C 1.035 178.350 177.300 0.026 0.000 1.185 419 P CA 1.135 64.240 63.100 0.009 0.000 0.763 419 P CB 0.687 32.374 31.700 -0.021 0.000 0.776 420 G N 2.845 111.654 108.800 0.015 0.000 2.205 420 G HA2 -0.250 3.703 3.960 -0.011 0.000 0.261 420 G HA3 -0.250 3.703 3.960 -0.011 0.000 0.261 420 G C 0.360 175.267 174.900 0.013 0.000 0.980 420 G CA -0.012 45.094 45.100 0.010 0.000 0.632 420 G HN 0.585 nan 8.290 nan 0.000 0.533 421 D N 1.004 121.422 120.400 0.030 0.000 2.545 421 D HA 0.370 5.003 4.640 -0.011 0.000 0.227 421 D C 1.571 177.860 176.300 -0.018 0.000 1.150 421 D CA 0.412 54.416 54.000 0.006 0.000 1.046 421 D CB 0.592 41.397 40.800 0.009 0.000 1.098 421 D HN 0.138 nan 8.370 nan 0.000 0.502 422 V N 2.801 122.705 119.914 -0.016 0.000 2.626 422 V HA -0.186 3.928 4.120 -0.011 0.000 0.252 422 V C 1.644 177.723 176.094 -0.024 0.000 1.067 422 V CA 1.749 64.037 62.300 -0.019 0.000 1.081 422 V CB 0.061 31.877 31.823 -0.012 0.000 0.686 422 V HN 0.364 nan 8.190 nan 0.000 0.468 423 D N -0.299 120.082 120.400 -0.031 0.000 2.162 423 D HA -0.164 4.469 4.640 -0.011 0.000 0.203 423 D C 2.315 178.585 176.300 -0.050 0.000 0.967 423 D CA 1.145 55.127 54.000 -0.030 0.000 0.840 423 D CB -0.189 40.594 40.800 -0.028 0.000 0.972 423 D HN 0.388 nan 8.370 nan 0.000 0.482 424 R N -0.282 120.164 120.500 -0.091 0.000 2.105 424 R HA -0.146 4.187 4.340 -0.011 0.000 0.239 424 R C 1.871 178.093 176.300 -0.129 0.000 1.135 424 R CA 0.941 56.947 56.100 -0.156 0.000 0.967 424 R CB -0.307 29.838 30.300 -0.259 0.000 0.861 424 R HN 0.168 nan 8.270 nan 0.000 0.442 425 L N 1.334 122.506 121.223 -0.084 0.000 2.012 425 L HA -0.177 4.156 4.340 -0.011 0.000 0.210 425 L C 2.551 179.414 176.870 -0.012 0.000 1.073 425 L CA 2.153 56.958 54.840 -0.057 0.000 0.748 425 L CB -0.729 41.308 42.059 -0.036 0.000 0.891 425 L HN 0.317 nan 8.230 nan 0.000 0.431 426 R N -1.285 119.217 120.500 0.004 0.000 2.115 426 R HA -0.054 4.279 4.340 -0.011 0.000 0.226 426 R C 2.194 178.541 176.300 0.078 0.000 1.100 426 R CA 0.984 57.111 56.100 0.044 0.000 0.980 426 R CB -0.628 29.694 30.300 0.036 0.000 0.875 426 R HN 0.150 nan 8.270 nan 0.000 0.445 427 R N 0.187 120.716 120.500 0.048 0.000 2.092 427 R HA 0.091 4.424 4.340 -0.011 0.000 0.231 427 R C 1.963 178.345 176.300 0.137 0.000 1.119 427 R CA 1.788 57.942 56.100 0.091 0.000 0.970 427 R CB -0.153 30.163 30.300 0.027 0.000 0.864 427 R HN 0.322 nan 8.270 nan 0.000 0.440 428 M N -0.014 119.586 119.600 0.001 0.000 2.541 428 M HA 0.034 4.508 4.480 -0.011 0.000 0.252 428 M C 0.794 177.215 176.300 0.201 0.000 1.125 428 M CA -0.004 55.239 55.300 -0.094 0.000 1.091 428 M CB 0.509 32.889 32.600 -0.368 0.000 1.420 428 M HN -0.084 nan 8.290 nan 0.000 0.486 429 S N 0.889 116.732 115.700 0.239 0.000 2.558 429 S HA 0.043 4.507 4.470 -0.011 0.000 0.287 429 S C 1.129 175.989 174.600 0.432 0.000 1.321 429 S CA -0.156 58.221 58.200 0.296 0.000 1.048 429 S CB 0.553 63.876 63.200 0.205 0.000 0.844 429 S HN 0.359 nan 8.310 nan 0.000 0.512 430 L N 3.826 125.259 121.223 0.349 0.000 2.418 430 L HA 0.137 4.470 4.340 -0.011 0.000 0.218 430 L C 0.189 177.182 176.870 0.204 0.000 1.125 430 L CA 0.303 55.318 54.840 0.291 0.000 0.835 430 L CB -0.271 41.897 42.059 0.181 0.000 0.953 430 L HN 0.387 nan 8.230 nan 0.000 0.454 431 V N 0.696 120.739 119.914 0.215 0.000 2.370 431 V HA 0.191 4.304 4.120 -0.011 0.000 0.279 431 V C 0.018 176.209 176.094 0.162 0.000 1.029 431 V CA -0.582 61.831 62.300 0.190 0.000 0.870 431 V CB 1.610 33.579 31.823 0.245 0.000 0.984 431 V HN 0.161 nan 8.190 nan 0.000 0.451 432 E N 3.103 123.379 120.200 0.127 0.000 2.134 432 E HA 0.411 4.754 4.350 -0.011 0.000 0.278 432 E C -0.737 175.921 176.600 0.096 0.000 0.959 432 E CA -0.539 55.924 56.400 0.105 0.000 0.783 432 E CB 1.882 31.626 29.700 0.073 0.000 1.095 432 E HN 0.620 nan 8.360 nan 0.000 0.399 433 E N 1.037 121.289 120.200 0.086 0.000 2.318 433 E HA 0.644 4.988 4.350 -0.011 0.000 0.265 433 E C 0.149 176.787 176.600 0.063 0.000 1.069 433 E CA 0.320 56.764 56.400 0.073 0.000 0.893 433 E CB 1.541 31.277 29.700 0.060 0.000 1.076 433 E HN 0.646 nan 8.360 nan 0.000 0.414 434 G N 0.220 109.054 108.800 0.058 0.000 2.291 434 G HA2 0.229 4.182 3.960 -0.011 0.000 0.249 434 G HA3 0.229 4.182 3.960 -0.011 0.000 0.249 434 G C 0.534 175.465 174.900 0.052 0.000 1.340 434 G CA 0.312 45.442 45.100 0.050 0.000 1.017 434 G HN 0.642 nan 8.290 nan 0.000 0.470 435 A N -0.791 122.058 122.820 0.048 0.000 1.870 435 A HA 0.245 4.558 4.320 -0.011 0.000 0.219 435 A C 1.819 179.440 177.584 0.062 0.000 1.286 435 A CA 4.546 56.612 52.037 0.048 0.000 0.682 435 A CB -1.292 17.736 19.000 0.047 0.000 0.844 435 A HN 2.412 nan 8.150 nan 0.000 0.460 436 V N -2.853 117.111 119.914 0.083 0.000 2.680 436 V HA 0.581 4.694 4.120 -0.011 0.000 0.309 436 V C -0.560 175.608 176.094 0.123 0.000 1.052 436 V CA -1.355 61.016 62.300 0.119 0.000 0.908 436 V CB 1.722 33.648 31.823 0.170 0.000 1.001 436 V HN 0.408 nan 8.190 nan 0.000 0.431 437 K N 3.952 124.436 120.400 0.140 0.000 2.326 437 K HA 0.512 4.826 4.320 -0.011 0.000 0.275 437 K C -0.450 176.232 176.600 0.137 0.000 1.018 437 K CA -0.254 56.114 56.287 0.135 0.000 0.962 437 K CB 1.008 33.599 32.500 0.153 0.000 0.953 437 K HN 0.722 nan 8.250 nan 0.000 0.475 438 R N 1.278 121.846 120.500 0.114 0.000 2.808 438 R HA 0.478 4.811 4.340 -0.011 0.000 0.272 438 R C -0.717 175.631 176.300 0.081 0.000 0.995 438 R CA -0.983 55.174 56.100 0.095 0.000 0.917 438 R CB 1.368 31.708 30.300 0.066 0.000 1.217 438 R HN 0.386 nan 8.270 nan 0.000 0.471 439 I N 1.938 122.549 120.570 0.069 0.000 2.354 439 I HA 0.176 4.339 4.170 -0.011 0.000 0.292 439 I C -0.243 175.868 176.117 -0.010 0.000 0.989 439 I CA -0.756 60.570 61.300 0.043 0.000 1.188 439 I CB 1.320 39.339 38.000 0.031 0.000 1.342 439 I HN 0.486 nan 8.210 nan 0.000 0.457 440 N N 7.073 125.743 118.700 -0.051 0.000 2.439 440 N HA 0.094 4.827 4.740 -0.011 0.000 0.243 440 N C 0.875 176.286 175.510 -0.165 0.000 1.088 440 N CA -0.359 52.579 53.050 -0.188 0.000 0.940 440 N CB 0.887 39.141 38.487 -0.389 0.000 1.180 440 N HN 0.366 nan 8.380 nan 0.000 0.505 441 M N 2.249 121.754 119.600 -0.160 0.000 2.202 441 M HA -0.109 4.364 4.480 -0.011 0.000 0.262 441 M C 1.915 178.066 176.300 -0.248 0.000 1.063 441 M CA 0.910 56.127 55.300 -0.139 0.000 1.097 441 M CB -1.583 30.968 32.600 -0.081 0.000 1.382 441 M HN 0.603 nan 8.290 nan 0.000 0.413 442 A N -0.913 121.746 122.820 -0.269 0.000 1.930 442 A HA -0.161 4.152 4.320 -0.011 0.000 0.217 442 A C 1.977 179.336 177.584 -0.376 0.000 1.175 442 A CA 1.387 53.223 52.037 -0.336 0.000 0.627 442 A CB -1.088 17.899 19.000 -0.022 0.000 0.815 442 A HN 0.614 nan 8.150 nan 0.000 0.443 443 H N -1.131 117.736 119.070 -0.338 0.000 2.423 443 H HA 0.020 4.569 4.556 -0.011 0.000 0.297 443 H C 2.076 177.200 175.328 -0.341 0.000 1.075 443 H CA 0.808 56.620 56.048 -0.393 0.000 1.342 443 H CB 0.010 29.747 29.762 -0.042 0.000 1.395 443 H HN 0.360 nan 8.280 nan 0.000 0.530 444 L N 0.301 121.448 121.223 -0.128 0.000 2.046 444 L HA -0.214 4.120 4.340 -0.011 0.000 0.208 444 L C 2.111 178.859 176.870 -0.204 0.000 1.077 444 L CA 1.266 56.032 54.840 -0.124 0.000 0.747 444 L CB -0.347 41.660 42.059 -0.087 0.000 0.896 444 L HN 0.452 nan 8.230 nan 0.000 0.432 445 C N -0.095 118.978 119.300 -0.378 0.000 2.440 445 C HA -0.132 4.321 4.460 -0.011 0.000 0.278 445 C C 2.662 177.432 174.990 -0.367 0.000 1.295 445 C CA 0.366 59.097 59.018 -0.478 0.000 1.738 445 C CB -0.702 26.390 27.740 -1.080 0.000 1.987 445 C HN 0.499 nan 8.230 nan 0.000 0.492 446 I N 1.457 121.772 120.570 -0.425 0.000 2.252 446 I HA -0.181 3.982 4.170 -0.011 0.000 0.245 446 I C 2.755 178.754 176.117 -0.198 0.000 1.102 446 I CA 1.602 62.697 61.300 -0.343 0.000 1.385 446 I CB -0.527 37.150 38.000 -0.540 0.000 1.064 446 I HN 0.256 nan 8.210 nan 0.000 0.414 447 A N 0.553 123.232 122.820 -0.235 0.000 1.902 447 A HA -0.089 4.225 4.320 -0.011 0.000 0.217 447 A C 2.199 179.853 177.584 0.118 0.000 1.181 447 A CA 1.850 53.792 52.037 -0.157 0.000 0.623 447 A CB -1.153 17.581 19.000 -0.444 0.000 0.818 447 A HN 0.470 nan 8.150 nan 0.000 0.443 448 G N -1.043 107.766 108.800 0.014 0.000 3.371 448 G HA2 0.426 4.380 3.960 -0.011 0.000 0.248 448 G HA3 0.426 4.380 3.960 -0.011 0.000 0.248 448 G C 0.043 174.788 174.900 -0.257 0.000 1.161 448 G CA 0.479 45.454 45.100 -0.208 0.000 0.796 448 G HN 0.345 nan 8.290 nan 0.000 0.539 449 S N -0.448 115.158 115.700 -0.156 0.000 2.542 449 S HA 0.332 4.795 4.470 -0.011 0.000 0.293 449 S C 0.573 175.132 174.600 -0.069 0.000 1.089 449 S CA -0.731 57.400 58.200 -0.115 0.000 0.961 449 S CB 1.281 64.414 63.200 -0.111 0.000 1.062 449 S HN 0.501 nan 8.310 nan 0.000 0.483 450 H N -0.301 118.735 119.070 -0.056 0.000 2.539 450 H HA 0.571 5.121 4.556 -0.011 0.000 0.269 450 H C 0.011 175.329 175.328 -0.015 0.000 0.980 450 H CA 0.111 56.154 56.048 -0.008 0.000 1.152 450 H CB 0.138 29.906 29.762 0.010 0.000 1.407 450 H HN 0.529 nan 8.280 nan 0.000 0.564 451 A N 0.773 123.321 122.820 -0.453 0.000 2.547 451 A HA 0.550 4.863 4.320 -0.011 0.000 0.297 451 A C -1.562 175.810 177.584 -0.353 0.000 1.056 451 A CA -0.549 51.249 52.037 -0.399 0.000 0.688 451 A CB 2.080 20.793 19.000 -0.479 0.000 1.282 451 A HN 0.097 nan 8.150 nan 0.000 0.400 452 V N 4.009 123.671 119.914 -0.419 0.000 2.623 452 V HA 0.558 4.671 4.120 -0.011 0.000 0.304 452 V C -0.795 175.075 176.094 -0.373 0.000 1.054 452 V CA -0.741 61.289 62.300 -0.450 0.000 0.882 452 V CB 1.894 33.286 31.823 -0.719 0.000 1.002 452 V HN 1.045 nan 8.190 nan 0.000 0.424 453 N N 2.932 121.434 118.700 -0.330 0.000 2.262 453 N HA 0.631 5.364 4.740 -0.011 0.000 0.295 453 N C -0.286 175.103 175.510 -0.201 0.000 1.161 453 N CA -0.380 52.529 53.050 -0.236 0.000 0.767 453 N CB 2.914 41.244 38.487 -0.262 0.000 1.499 453 N HN 0.650 nan 8.380 nan 0.000 0.476 454 G N -0.872 107.848 108.800 -0.134 0.000 2.522 454 G HA2 0.423 4.376 3.960 -0.011 0.000 0.304 454 G HA3 0.423 4.376 3.960 -0.011 0.000 0.304 454 G C 0.748 175.707 174.900 0.098 0.000 1.210 454 G CA -0.517 44.544 45.100 -0.064 0.000 0.960 454 G HN 0.633 nan 8.290 nan 0.000 0.497 455 V N -3.553 116.552 119.914 0.318 0.000 3.319 455 V HA 0.695 4.809 4.120 -0.011 0.000 0.317 455 V C 0.549 176.741 176.094 0.163 0.000 1.411 455 V CA 0.336 62.744 62.300 0.180 0.000 1.112 455 V CB -0.801 31.098 31.823 0.127 0.000 1.031 455 V HN 1.351 nan 8.190 nan 0.000 0.448 456 A N -0.189 122.734 122.820 0.171 0.000 2.599 456 A HA 0.626 4.940 4.320 -0.011 0.000 0.294 456 A C 0.662 178.301 177.584 0.092 0.000 1.055 456 A CA -0.144 51.969 52.037 0.126 0.000 0.683 456 A CB 1.160 20.225 19.000 0.108 0.000 1.278 456 A HN 0.019 nan 8.150 nan 0.000 0.412 457 R N 0.793 121.327 120.500 0.055 0.000 2.096 457 R HA -0.171 4.162 4.340 -0.011 0.000 0.240 457 R C 1.731 178.032 176.300 0.003 0.000 1.139 457 R CA 2.319 58.428 56.100 0.016 0.000 0.952 457 R CB -0.209 30.095 30.300 0.006 0.000 0.854 457 R HN 0.836 nan 8.270 nan 0.000 0.436 458 I N 0.145 120.726 120.570 0.019 0.000 2.394 458 I HA -0.262 3.901 4.170 -0.011 0.000 0.251 458 I C 2.270 178.400 176.117 0.022 0.000 1.136 458 I CA 1.781 63.084 61.300 0.004 0.000 1.425 458 I CB -0.253 37.747 38.000 0.001 0.000 1.079 458 I HN 0.318 nan 8.210 nan 0.000 0.425 459 H N 0.472 119.517 119.070 -0.041 0.000 2.357 459 H HA -0.101 4.449 4.556 -0.011 0.000 0.301 459 H C 2.206 177.504 175.328 -0.050 0.000 1.082 459 H CA 2.145 58.165 56.048 -0.048 0.000 1.342 459 H CB -0.270 29.471 29.762 -0.036 0.000 1.389 459 H HN 0.248 nan 8.280 nan 0.000 0.511 460 S N 0.081 115.660 115.700 -0.201 0.000 2.402 460 S HA -0.098 4.365 4.470 -0.011 0.000 0.229 460 S C 1.855 176.336 174.600 -0.198 0.000 1.021 460 S CA 1.062 59.118 58.200 -0.240 0.000 0.974 460 S CB -0.036 63.096 63.200 -0.114 0.000 0.800 460 S HN 0.462 nan 8.310 nan 0.000 0.484 461 E N 1.119 121.227 120.200 -0.154 0.000 2.072 461 E HA 0.064 4.408 4.350 -0.011 0.000 0.190 461 E C 1.979 178.470 176.600 -0.181 0.000 0.982 461 E CA 0.524 56.826 56.400 -0.164 0.000 0.803 461 E CB -0.337 29.297 29.700 -0.109 0.000 0.755 461 E HN 0.474 nan 8.360 nan 0.000 0.453 462 I N 0.958 121.438 120.570 -0.150 0.000 2.264 462 I HA -0.274 3.889 4.170 -0.011 0.000 0.248 462 I C 2.291 178.294 176.117 -0.191 0.000 1.111 462 I CA 0.764 61.982 61.300 -0.138 0.000 1.382 462 I CB -0.105 37.848 38.000 -0.078 0.000 1.060 462 I HN 0.064 nan 8.210 nan 0.000 0.418 463 L N 0.081 121.157 121.223 -0.244 0.000 2.083 463 L HA -0.224 4.110 4.340 -0.011 0.000 0.209 463 L C 2.449 179.214 176.870 -0.175 0.000 1.083 463 L CA 1.465 56.175 54.840 -0.217 0.000 0.752 463 L CB -0.542 41.461 42.059 -0.094 0.000 0.899 463 L HN 0.197 nan 8.230 nan 0.000 0.433 464 K N -0.058 120.163 120.400 -0.298 0.000 2.167 464 K HA -0.105 4.208 4.320 -0.011 0.000 0.203 464 K C 2.080 178.484 176.600 -0.326 0.000 1.052 464 K CA 0.923 56.890 56.287 -0.533 0.000 0.956 464 K CB 0.098 32.047 32.500 -0.917 0.000 0.735 464 K HN 0.232 nan 8.250 nan 0.000 0.451 465 K N -0.240 120.026 120.400 -0.223 0.000 2.211 465 K HA 0.018 4.332 4.320 -0.011 0.000 0.201 465 K C 1.352 177.901 176.600 -0.086 0.000 1.052 465 K CA 0.981 57.192 56.287 -0.128 0.000 0.973 465 K CB 0.431 32.866 32.500 -0.109 0.000 0.766 465 K HN 0.058 nan 8.250 nan 0.000 0.466 466 T N 0.476 114.967 114.554 -0.106 0.000 2.709 466 T HA 0.060 4.404 4.350 -0.011 0.000 0.174 466 T C 1.495 176.139 174.700 -0.094 0.000 0.774 466 T CA -0.383 61.664 62.100 -0.088 0.000 1.309 466 T CB -0.442 68.366 68.868 -0.099 0.000 2.586 466 T HN -0.076 nan 8.240 nan 0.000 0.401 467 I N 0.940 121.390 120.570 -0.199 0.000 2.147 467 I HA -0.211 3.953 4.170 -0.011 0.000 0.245 467 I C 0.636 176.639 176.117 -0.190 0.000 1.059 467 I CA 1.911 63.010 61.300 -0.334 0.000 1.320 467 I CB -0.136 37.437 38.000 -0.710 0.000 1.021 467 I HN 0.308 nan 8.210 nan 0.000 0.415 468 F N 0.031 120.036 119.950 0.091 0.000 2.791 468 F HA 0.280 4.800 4.527 -0.011 0.000 0.308 468 F C 1.662 177.533 175.800 0.118 0.000 1.138 468 F CA -0.643 57.471 58.000 0.191 0.000 1.294 468 F CB -0.874 38.246 39.000 0.200 0.000 0.975 468 F HN -0.066 nan 8.300 nan 0.000 0.512 469 K N 0.740 121.249 120.400 0.182 0.000 2.044 469 K HA -0.202 4.111 4.320 -0.011 0.000 0.210 469 K C 1.228 177.886 176.600 0.096 0.000 1.049 469 K CA 2.110 58.452 56.287 0.092 0.000 0.927 469 K CB 0.026 32.546 32.500 0.034 0.000 0.713 469 K HN 0.148 nan 8.250 nan 0.000 0.443 470 D N -0.151 120.288 120.400 0.065 0.000 2.144 470 D HA -0.158 4.476 4.640 -0.011 0.000 0.199 470 D C 1.823 178.041 176.300 -0.137 0.000 0.984 470 D CA 1.183 55.095 54.000 -0.148 0.000 0.834 470 D CB -0.310 40.311 40.800 -0.299 0.000 0.955 470 D HN 0.222 nan 8.370 nan 0.000 0.465 471 F N -0.153 119.858 119.950 0.102 0.000 2.234 471 F HA -0.130 4.390 4.527 -0.011 0.000 0.299 471 F C 2.305 178.208 175.800 0.173 0.000 1.087 471 F CA 0.448 58.580 58.000 0.219 0.000 1.340 471 F CB -0.625 38.577 39.000 0.335 0.000 1.031 471 F HN -0.029 nan 8.300 nan 0.000 0.500 472 Y N 1.301 121.537 120.300 -0.107 0.000 2.200 472 Y HA -0.163 4.381 4.550 -0.011 0.000 0.290 472 Y C 2.119 177.984 175.900 -0.057 0.000 1.137 472 Y CA 1.551 59.411 58.100 -0.400 0.000 1.163 472 Y CB -0.616 37.465 38.460 -0.631 0.000 0.988 472 Y HN 0.121 nan 8.280 nan 0.000 0.518 473 E N -0.064 120.065 120.200 -0.118 0.000 2.150 473 E HA -0.195 4.148 4.350 -0.011 0.000 0.193 473 E C 2.263 178.907 176.600 0.074 0.000 0.985 473 E CA 1.011 57.357 56.400 -0.089 0.000 0.814 473 E CB -0.207 29.489 29.700 -0.007 0.000 0.752 473 E HN 0.447 nan 8.360 nan 0.000 0.466 474 L N 0.788 122.098 121.223 0.146 0.000 2.023 474 L HA -0.093 4.240 4.340 -0.011 0.000 0.205 474 L C 0.165 177.117 176.870 0.138 0.000 1.073 474 L CA 1.479 56.451 54.840 0.219 0.000 0.745 474 L CB 0.114 42.304 42.059 0.218 0.000 0.900 474 L HN 0.075 nan 8.230 nan 0.000 0.435 475 E N -0.032 120.240 120.200 0.120 0.000 2.914 475 E HA 0.171 4.514 4.350 -0.011 0.000 0.246 475 E C -2.003 174.533 176.600 -0.106 0.000 1.146 475 E CA -1.446 54.934 56.400 -0.033 0.000 0.803 475 E CB 0.989 30.641 29.700 -0.080 0.000 1.409 475 E HN 0.185 nan 8.360 nan 0.000 0.392 476 P HA -0.247 nan 4.420 nan 0.000 0.219 476 P C 1.157 178.556 177.300 0.164 0.000 1.146 476 P CA 1.367 64.374 63.100 -0.154 0.000 0.808 476 P CB -0.071 31.411 31.700 -0.362 0.000 0.779 477 H N 0.092 119.270 119.070 0.181 0.000 2.457 477 H HA 0.076 4.625 4.556 -0.011 0.000 0.294 477 H C 1.540 176.963 175.328 0.158 0.000 1.064 477 H CA 0.767 56.908 56.048 0.156 0.000 1.330 477 H CB -0.612 29.212 29.762 0.104 0.000 1.395 477 H HN 0.139 nan 8.280 nan 0.000 0.541 478 K N 0.365 120.674 120.400 -0.151 0.000 2.148 478 K HA 0.001 4.314 4.320 -0.011 0.000 0.204 478 K C -0.103 176.347 176.600 -0.249 0.000 1.050 478 K CA 0.391 56.573 56.287 -0.175 0.000 0.942 478 K CB 0.017 32.301 32.500 -0.359 0.000 0.724 478 K HN 0.086 nan 8.250 nan 0.000 0.446 479 F N 1.990 121.967 119.950 0.045 0.000 2.445 479 F HA 0.135 4.656 4.527 -0.011 0.000 0.359 479 F C 0.574 176.374 175.800 -0.000 0.000 1.101 479 F CA 0.053 58.076 58.000 0.038 0.000 1.177 479 F CB 0.675 39.748 39.000 0.121 0.000 1.110 479 F HN -0.046 nan 8.300 nan 0.000 0.522 480 Q N 1.744 121.550 119.800 0.011 0.000 2.892 480 Q HA 0.429 4.762 4.340 -0.011 0.000 0.307 480 Q C -1.085 174.863 176.000 -0.086 0.000 1.039 480 Q CA -1.312 54.463 55.803 -0.047 0.000 0.792 480 Q CB 3.008 31.666 28.738 -0.132 0.000 1.504 480 Q HN 0.645 nan 8.270 nan 0.000 0.487 481 N N 0.227 118.859 118.700 -0.114 0.000 2.229 481 N HA 0.299 5.032 4.740 -0.011 0.000 0.298 481 N C -1.624 173.787 175.510 -0.166 0.000 1.114 481 N CA -0.418 52.566 53.050 -0.110 0.000 0.776 481 N CB 1.350 39.799 38.487 -0.064 0.000 1.501 481 N HN 0.281 nan 8.380 nan 0.000 0.474 482 K N 2.508 122.825 120.400 -0.139 0.000 2.790 482 K HA 0.170 4.483 4.320 -0.011 0.000 0.253 482 K C -1.106 175.520 176.600 0.044 0.000 1.082 482 K CA -0.456 55.734 56.287 -0.161 0.000 1.067 482 K CB 1.141 33.341 32.500 -0.501 0.000 1.284 482 K HN 0.574 nan 8.250 nan 0.000 0.529 483 T N 1.994 116.586 114.554 0.064 0.000 2.908 483 T HA 0.048 4.392 4.350 -0.011 0.000 0.301 483 T C 0.773 175.611 174.700 0.231 0.000 1.019 483 T CA 0.412 62.598 62.100 0.144 0.000 1.152 483 T CB 0.260 69.208 68.868 0.135 0.000 0.966 483 T HN 0.335 nan 8.240 nan 0.000 0.540 484 N N 0.615 119.471 118.700 0.259 0.000 2.340 484 N HA 0.420 5.153 4.740 -0.011 0.000 0.236 484 N C 0.462 176.160 175.510 0.313 0.000 1.296 484 N CA -0.253 52.976 53.050 0.298 0.000 0.896 484 N CB 0.428 39.031 38.487 0.193 0.000 1.127 484 N HN 0.758 nan 8.380 nan 0.000 0.442 485 G N -0.517 108.470 108.800 0.312 0.000 2.682 485 G HA2 0.620 4.573 3.960 -0.011 0.000 0.290 485 G HA3 0.620 4.573 3.960 -0.011 0.000 0.290 485 G C -1.357 173.675 174.900 0.220 0.000 1.425 485 G CA -0.738 44.536 45.100 0.289 0.000 0.807 485 G HN 0.587 nan 8.290 nan 0.000 0.482 486 I N -2.369 118.319 120.570 0.197 0.000 2.892 486 I HA 0.759 4.923 4.170 -0.011 0.000 0.306 486 I C -0.051 176.223 176.117 0.261 0.000 1.078 486 I CA -1.005 60.404 61.300 0.180 0.000 1.032 486 I CB 2.462 40.473 38.000 0.019 0.000 1.229 486 I HN 0.457 nan 8.210 nan 0.000 0.435 487 T N 3.955 118.719 114.554 0.350 0.000 2.761 487 T HA 0.363 4.706 4.350 -0.011 0.000 0.296 487 T C -1.409 173.397 174.700 0.178 0.000 0.934 487 T CA -1.638 60.588 62.100 0.209 0.000 1.091 487 T CB 0.688 69.624 68.868 0.114 0.000 0.896 487 T HN 0.631 nan 8.240 nan 0.000 0.515 488 P HA 0.015 nan 4.420 nan 0.000 0.230 488 P C 1.088 178.347 177.300 -0.068 0.000 1.158 488 P CA 0.408 63.539 63.100 0.052 0.000 0.769 488 P CB 0.358 32.079 31.700 0.034 0.000 0.807 489 R N 0.369 120.778 120.500 -0.151 0.000 2.056 489 R HA 0.027 4.360 4.340 -0.011 0.000 0.227 489 R C 2.721 178.881 176.300 -0.233 0.000 1.149 489 R CA 1.500 57.460 56.100 -0.233 0.000 0.937 489 R CB -1.104 29.055 30.300 -0.234 0.000 0.835 489 R HN 0.037 nan 8.270 nan 0.000 0.430 490 R N -0.756 119.542 120.500 -0.337 0.000 2.092 490 R HA -0.106 4.228 4.340 -0.011 0.000 0.231 490 R C 1.018 176.907 176.300 -0.685 0.000 1.119 490 R CA 1.490 57.234 56.100 -0.593 0.000 0.970 490 R CB -0.155 29.615 30.300 -0.883 0.000 0.864 490 R HN 0.293 nan 8.270 nan 0.000 0.440 491 W N 0.047 121.299 121.300 -0.081 0.000 3.405 491 W HA 0.143 4.796 4.660 -0.012 0.000 0.300 491 W C 0.923 177.406 176.519 -0.059 0.000 1.286 491 W CA -0.667 56.630 57.345 -0.081 0.000 1.762 491 W CB 0.389 29.806 29.460 -0.071 0.000 1.087 491 W HN 0.235 nan 8.180 nan 0.000 0.703 492 L N -2.492 118.766 121.223 0.058 0.000 2.604 492 L HA 0.170 4.503 4.340 -0.011 0.000 0.150 492 L C 1.716 178.593 176.870 0.010 0.000 1.292 492 L CA 0.681 55.559 54.840 0.064 0.000 0.977 492 L CB -0.847 41.278 42.059 0.110 0.000 1.943 492 L HN -0.271 nan 8.230 nan 0.000 0.508 493 V N 1.294 121.192 119.914 -0.028 0.000 2.332 493 V HA -0.266 3.847 4.120 -0.011 0.000 0.248 493 V C 2.445 178.501 176.094 -0.063 0.000 1.055 493 V CA 2.506 64.780 62.300 -0.044 0.000 1.038 493 V CB -0.643 31.120 31.823 -0.100 0.000 0.651 493 V HN 0.515 nan 8.190 nan 0.000 0.450 494 L N 0.392 121.545 121.223 -0.117 0.000 2.044 494 L HA -0.166 4.168 4.340 -0.011 0.000 0.205 494 L C 2.460 179.257 176.870 -0.122 0.000 1.075 494 L CA 2.254 57.012 54.840 -0.138 0.000 0.747 494 L CB -0.215 41.710 42.059 -0.222 0.000 0.903 494 L HN 0.653 nan 8.230 nan 0.000 0.435 495 C N -1.797 117.425 119.300 -0.130 0.000 2.563 495 C HA 0.212 4.665 4.460 -0.011 0.000 0.268 495 C C 1.172 176.139 174.990 -0.038 0.000 1.365 495 C CA -0.300 58.664 59.018 -0.091 0.000 1.754 495 C CB -0.972 26.714 27.740 -0.090 0.000 1.932 495 C HN 0.583 nan 8.230 nan 0.000 0.536 496 N N 1.130 119.818 118.700 -0.021 0.000 2.703 496 N HA 0.289 5.023 4.740 -0.011 0.000 0.283 496 N C -1.784 173.731 175.510 0.008 0.000 1.851 496 N CA -1.600 51.450 53.050 -0.001 0.000 0.826 496 N CB 0.739 39.233 38.487 0.012 0.000 1.239 496 N HN 0.232 nan 8.380 nan 0.000 0.495 497 P HA -0.052 nan 4.420 nan 0.000 0.218 497 P C 1.398 178.710 177.300 0.019 0.000 1.148 497 P CA 0.935 64.042 63.100 0.011 0.000 0.822 497 P CB 0.217 31.918 31.700 0.001 0.000 0.784 498 G N 0.557 109.363 108.800 0.010 0.000 2.440 498 G HA2 -0.245 3.708 3.960 -0.011 0.000 0.218 498 G HA3 -0.245 3.708 3.960 -0.011 0.000 0.218 498 G C 1.516 176.418 174.900 0.003 0.000 1.154 498 G CA 0.670 45.773 45.100 0.005 0.000 0.767 498 G HN 0.256 nan 8.290 nan 0.000 0.552 499 L N 1.181 122.407 121.223 0.005 0.000 2.072 499 L HA 0.301 4.634 4.340 -0.011 0.000 0.205 499 L C 3.028 179.919 176.870 0.036 0.000 1.079 499 L CA 1.938 56.776 54.840 -0.002 0.000 0.752 499 L CB -0.669 41.389 42.059 -0.001 0.000 0.906 499 L HN 0.217 nan 8.230 nan 0.000 0.436 500 A N -0.721 122.143 122.820 0.074 0.000 1.933 500 A HA -0.239 4.074 4.320 -0.011 0.000 0.218 500 A C 2.230 179.904 177.584 0.150 0.000 1.175 500 A CA 1.722 53.854 52.037 0.159 0.000 0.628 500 A CB -0.636 18.452 19.000 0.147 0.000 0.814 500 A HN 0.542 nan 8.150 nan 0.000 0.444 501 E N 0.823 121.074 120.200 0.085 0.000 2.047 501 E HA -0.163 4.181 4.350 -0.011 0.000 0.191 501 E C 1.828 178.468 176.600 0.066 0.000 0.987 501 E CA 1.615 58.057 56.400 0.070 0.000 0.799 501 E CB -0.514 29.210 29.700 0.039 0.000 0.752 501 E HN 0.746 nan 8.360 nan 0.000 0.449 502 I N -1.973 118.628 120.570 0.052 0.000 2.676 502 I HA -0.068 4.095 4.170 -0.011 0.000 0.259 502 I C 2.053 178.251 176.117 0.136 0.000 1.194 502 I CA 0.919 62.264 61.300 0.074 0.000 1.473 502 I CB -0.253 37.763 38.000 0.026 0.000 1.096 502 I HN 0.019 nan 8.210 nan 0.000 0.443 503 I N 1.887 122.511 120.570 0.089 0.000 2.333 503 I HA -0.127 4.036 4.170 -0.011 0.000 0.246 503 I C 2.984 179.079 176.117 -0.036 0.000 1.106 503 I CA 1.213 62.509 61.300 -0.007 0.000 1.411 503 I CB -0.331 37.538 38.000 -0.219 0.000 1.082 503 I HN 0.272 nan 8.210 nan 0.000 0.420 504 A N 0.353 123.235 122.820 0.104 0.000 1.933 504 A HA -0.239 4.074 4.320 -0.011 0.000 0.218 504 A C 2.151 179.772 177.584 0.061 0.000 1.175 504 A CA 1.676 53.814 52.037 0.168 0.000 0.628 504 A CB -0.602 18.517 19.000 0.198 0.000 0.814 504 A HN 0.431 nan 8.150 nan 0.000 0.444 505 E N -0.709 119.510 120.200 0.031 0.000 2.160 505 E HA -0.197 4.146 4.350 -0.011 0.000 0.195 505 E C 2.244 178.812 176.600 -0.053 0.000 0.991 505 E CA 1.229 57.631 56.400 0.002 0.000 0.810 505 E CB -0.032 29.675 29.700 0.012 0.000 0.742 505 E HN 0.537 nan 8.360 nan 0.000 0.466 506 R N -0.016 120.396 120.500 -0.146 0.000 2.123 506 R HA 0.098 4.431 4.340 -0.011 0.000 0.209 506 R C 2.266 178.474 176.300 -0.154 0.000 1.078 506 R CA 0.801 56.727 56.100 -0.290 0.000 1.028 506 R CB -0.173 29.609 30.300 -0.863 0.000 0.939 506 R HN 0.286 nan 8.270 nan 0.000 0.463 507 I N -2.532 117.969 120.570 -0.114 0.000 4.025 507 I HA 0.451 4.614 4.170 -0.011 0.000 0.336 507 I C 0.458 176.619 176.117 0.074 0.000 1.390 507 I CA 0.043 61.336 61.300 -0.010 0.000 1.099 507 I CB 0.925 38.906 38.000 -0.031 0.000 1.049 507 I HN 0.199 nan 8.210 nan 0.000 0.394 508 G N 1.930 110.784 108.800 0.090 0.000 2.698 508 G HA2 -0.212 3.741 3.960 -0.011 0.000 0.225 508 G HA3 -0.212 3.741 3.960 -0.011 0.000 0.225 508 G C -0.038 174.999 174.900 0.229 0.000 1.345 508 G CA 0.167 45.343 45.100 0.127 0.000 0.871 508 G HN 0.427 nan 8.290 nan 0.000 0.540 509 E N -0.431 119.848 120.200 0.131 0.000 2.476 509 E HA 0.088 4.431 4.350 -0.011 0.000 0.199 509 E C 1.834 178.388 176.600 -0.076 0.000 1.021 509 E CA -0.010 56.404 56.400 0.024 0.000 0.907 509 E CB 0.294 29.999 29.700 0.010 0.000 0.974 509 E HN 0.471 nan 8.360 nan 0.000 0.489 510 E N 0.560 120.783 120.200 0.038 0.000 2.333 510 E HA -0.173 4.171 4.350 -0.011 0.000 0.198 510 E C 1.566 178.169 176.600 0.004 0.000 1.007 510 E CA 0.752 57.167 56.400 0.026 0.000 0.845 510 E CB 0.037 29.773 29.700 0.060 0.000 0.766 510 E HN 0.513 nan 8.360 nan 0.000 0.507 511 Y N -0.962 119.350 120.300 0.021 0.000 2.421 511 Y HA -0.085 4.460 4.550 -0.010 0.000 0.292 511 Y C 1.826 177.712 175.900 -0.023 0.000 1.136 511 Y CA 0.367 58.471 58.100 0.007 0.000 1.255 511 Y CB -0.380 38.087 38.460 0.011 0.000 0.991 511 Y HN -0.090 nan 8.280 nan 0.000 0.552 512 I N 1.216 121.328 120.570 -0.763 0.000 2.423 512 I HA -0.212 3.951 4.170 -0.011 0.000 0.254 512 I C 1.536 177.425 176.117 -0.379 0.000 1.151 512 I CA 1.699 62.607 61.300 -0.654 0.000 1.421 512 I CB -1.407 36.120 38.000 -0.788 0.000 1.079 512 I HN 0.527 nan 8.210 nan 0.000 0.431 513 S N -1.597 113.993 115.700 -0.183 0.000 2.730 513 S HA 0.211 4.674 4.470 -0.011 0.000 0.244 513 S C 0.264 174.863 174.600 -0.002 0.000 1.022 513 S CA -0.432 57.733 58.200 -0.059 0.000 1.014 513 S CB 0.491 63.729 63.200 0.064 0.000 0.963 513 S HN 0.291 nan 8.310 nan 0.000 0.540 514 D N 0.961 121.367 120.400 0.009 0.000 2.978 514 D HA 0.237 4.870 4.640 -0.011 0.000 0.268 514 D C 0.710 177.064 176.300 0.091 0.000 1.252 514 D CA -0.346 53.682 54.000 0.047 0.000 0.771 514 D CB -0.125 40.706 40.800 0.052 0.000 1.361 514 D HN 0.102 nan 8.370 nan 0.000 0.558 515 L N 0.394 121.673 121.223 0.092 0.000 2.263 515 L HA -0.149 4.185 4.340 -0.011 0.000 0.216 515 L C 1.123 178.054 176.870 0.103 0.000 1.111 515 L CA 1.257 56.180 54.840 0.138 0.000 0.773 515 L CB 0.034 42.162 42.059 0.115 0.000 0.906 515 L HN 0.319 nan 8.230 nan 0.000 0.439 516 D N -0.360 120.077 120.400 0.061 0.000 2.221 516 D HA -0.220 4.413 4.640 -0.011 0.000 0.204 516 D C 2.022 178.350 176.300 0.046 0.000 0.982 516 D CA 0.931 54.952 54.000 0.035 0.000 0.857 516 D CB -0.003 40.805 40.800 0.014 0.000 0.934 516 D HN 0.511 nan 8.370 nan 0.000 0.475 517 Q N -0.197 119.648 119.800 0.075 0.000 2.439 517 Q HA -0.115 4.218 4.340 -0.011 0.000 0.211 517 Q C 1.792 177.816 176.000 0.040 0.000 0.978 517 Q CA 0.170 56.018 55.803 0.074 0.000 0.897 517 Q CB 0.072 28.885 28.738 0.125 0.000 0.956 517 Q HN 0.191 nan 8.270 nan 0.000 0.483 518 L N 0.642 121.881 121.223 0.026 0.000 2.265 518 L HA -0.158 4.175 4.340 -0.011 0.000 0.215 518 L C 2.061 178.932 176.870 0.001 0.000 1.117 518 L CA 1.476 56.295 54.840 -0.034 0.000 0.782 518 L CB -0.515 41.535 42.059 -0.015 0.000 0.914 518 L HN 0.141 nan 8.230 nan 0.000 0.441 519 R N -0.383 120.128 120.500 0.019 0.000 2.139 519 R HA -0.189 4.144 4.340 -0.011 0.000 0.243 519 R C 1.937 178.249 176.300 0.020 0.000 1.145 519 R CA 1.076 57.188 56.100 0.021 0.000 0.976 519 R CB -0.216 30.092 30.300 0.014 0.000 0.866 519 R HN 0.420 nan 8.270 nan 0.000 0.449 520 K N 0.535 120.947 120.400 0.021 0.000 2.360 520 K HA -0.080 4.233 4.320 -0.011 0.000 0.201 520 K C 1.812 178.463 176.600 0.085 0.000 1.046 520 K CA 0.669 56.977 56.287 0.036 0.000 0.945 520 K CB -0.020 32.509 32.500 0.048 0.000 0.750 520 K HN 0.239 nan 8.250 nan 0.000 0.464 521 L N 0.565 121.826 121.223 0.064 0.000 2.478 521 L HA -0.100 4.233 4.340 -0.011 0.000 0.223 521 L C 1.778 178.722 176.870 0.124 0.000 1.140 521 L CA 0.040 54.936 54.840 0.094 0.000 0.842 521 L CB -0.138 41.942 42.059 0.035 0.000 0.953 521 L HN 0.145 nan 8.230 nan 0.000 0.452 522 L N 0.037 121.297 121.223 0.062 0.000 2.191 522 L HA -0.170 4.163 4.340 -0.011 0.000 0.212 522 L C 2.668 179.527 176.870 -0.019 0.000 1.103 522 L CA 1.884 56.743 54.840 0.033 0.000 0.769 522 L CB -0.785 41.280 42.059 0.010 0.000 0.908 522 L HN 0.320 nan 8.230 nan 0.000 0.438 523 S N -2.720 112.917 115.700 -0.105 0.000 2.603 523 S HA -0.057 4.406 4.470 -0.011 0.000 0.220 523 S C 1.135 175.465 174.600 -0.450 0.000 0.967 523 S CA 0.169 58.202 58.200 -0.278 0.000 0.920 523 S CB -0.489 62.484 63.200 -0.377 0.000 0.773 523 S HN 0.462 nan 8.310 nan 0.000 0.529 524 Y N -0.435 119.787 120.300 -0.129 0.000 2.557 524 Y HA 0.442 4.990 4.550 -0.004 0.000 0.247 524 Y C 1.816 177.731 175.900 0.024 0.000 1.164 524 Y CA -0.589 57.420 58.100 -0.152 0.000 1.218 524 Y CB 0.246 38.389 38.460 -0.527 0.000 1.210 524 Y HN 0.260 nan 8.280 nan 0.000 0.529 525 V N 0.392 120.387 119.914 0.135 0.000 2.867 525 V HA -0.194 3.920 4.120 -0.011 0.000 0.260 525 V C 0.832 176.992 176.094 0.111 0.000 1.099 525 V CA 2.155 64.541 62.300 0.142 0.000 1.122 525 V CB -0.018 31.853 31.823 0.079 0.000 0.708 525 V HN 0.371 nan 8.190 nan 0.000 0.490 526 D N -1.006 119.441 120.400 0.079 0.000 2.469 526 D HA 0.121 4.754 4.640 -0.011 0.000 0.213 526 D C 0.265 176.612 176.300 0.077 0.000 1.135 526 D CA -0.092 53.944 54.000 0.060 0.000 0.834 526 D CB 0.227 41.039 40.800 0.021 0.000 1.009 526 D HN 0.411 nan 8.370 nan 0.000 0.507 527 D N 1.655 122.132 120.400 0.128 0.000 2.358 527 D HA -0.036 4.598 4.640 -0.011 0.000 0.258 527 D C 1.249 177.652 176.300 0.171 0.000 1.223 527 D CA 0.070 54.166 54.000 0.160 0.000 0.886 527 D CB 1.545 42.504 40.800 0.265 0.000 1.120 527 D HN -0.244 nan 8.370 nan 0.000 0.482 528 E N 3.319 123.589 120.200 0.115 0.000 2.110 528 E HA -0.134 4.210 4.350 -0.011 0.000 0.193 528 E C 1.676 178.336 176.600 0.099 0.000 0.988 528 E CA 1.330 57.785 56.400 0.091 0.000 0.804 528 E CB -0.207 29.529 29.700 0.060 0.000 0.745 528 E HN 0.610 nan 8.360 nan 0.000 0.458 529 A N -0.405 122.488 122.820 0.121 0.000 1.898 529 A HA -0.124 4.190 4.320 -0.011 0.000 0.216 529 A C 2.160 179.835 177.584 0.152 0.000 1.181 529 A CA 1.107 53.212 52.037 0.113 0.000 0.620 529 A CB -0.763 18.303 19.000 0.110 0.000 0.819 529 A HN 0.328 nan 8.150 nan 0.000 0.442 530 F N 0.592 120.557 119.950 0.025 0.000 2.113 530 F HA -0.110 4.412 4.527 -0.008 0.000 0.297 530 F C 2.009 177.816 175.800 0.012 0.000 1.103 530 F CA 1.327 59.328 58.000 0.003 0.000 1.248 530 F CB -0.379 38.634 39.000 0.022 0.000 0.999 530 F HN 0.161 nan 8.300 nan 0.000 0.475 531 I N -0.045 120.586 120.570 0.101 0.000 2.151 531 I HA -0.372 3.792 4.170 -0.011 0.000 0.243 531 I C 2.643 178.726 176.117 -0.057 0.000 1.080 531 I CA 1.828 63.128 61.300 0.001 0.000 1.339 531 I CB -0.467 37.569 38.000 0.060 0.000 1.039 531 I HN 0.072 nan 8.210 nan 0.000 0.409 532 R N 0.752 121.239 120.500 -0.022 0.000 2.096 532 R HA -0.190 4.144 4.340 -0.011 0.000 0.235 532 R C 1.850 178.108 176.300 -0.070 0.000 1.127 532 R CA 1.852 57.933 56.100 -0.032 0.000 0.968 532 R CB -0.115 30.183 30.300 -0.003 0.000 0.861 532 R HN 0.288 nan 8.270 nan 0.000 0.440 533 D N -0.421 119.916 120.400 -0.105 0.000 2.103 533 D HA -0.105 4.529 4.640 -0.011 0.000 0.199 533 D C 1.944 178.113 176.300 -0.218 0.000 0.978 533 D CA 1.214 55.129 54.000 -0.142 0.000 0.829 533 D CB -0.242 40.478 40.800 -0.134 0.000 0.981 533 D HN 0.050 nan 8.370 nan 0.000 0.464 534 V N 1.511 121.199 119.914 -0.376 0.000 2.282 534 V HA -0.280 3.833 4.120 -0.011 0.000 0.249 534 V C 2.491 178.488 176.094 -0.162 0.000 1.057 534 V CA 2.022 64.112 62.300 -0.350 0.000 1.032 534 V CB -0.803 30.755 31.823 -0.443 0.000 0.645 534 V HN 0.202 nan 8.190 nan 0.000 0.447 535 A N -0.788 121.960 122.820 -0.120 0.000 1.972 535 A HA -0.245 4.069 4.320 -0.011 0.000 0.219 535 A C 2.353 179.900 177.584 -0.063 0.000 1.169 535 A CA 2.051 54.051 52.037 -0.062 0.000 0.635 535 A CB -0.438 18.532 19.000 -0.049 0.000 0.810 535 A HN 0.540 nan 8.150 nan 0.000 0.446 536 K N 0.179 120.536 120.400 -0.071 0.000 2.062 536 K HA -0.097 4.216 4.320 -0.011 0.000 0.205 536 K C 1.965 178.536 176.600 -0.049 0.000 1.051 536 K CA 1.657 57.911 56.287 -0.055 0.000 0.941 536 K CB -0.327 32.144 32.500 -0.049 0.000 0.719 536 K HN 0.422 nan 8.250 nan 0.000 0.440 537 V N -0.180 119.698 119.914 -0.059 0.000 2.407 537 V HA -0.167 3.946 4.120 -0.011 0.000 0.248 537 V C 2.212 178.288 176.094 -0.031 0.000 1.055 537 V CA 1.954 64.228 62.300 -0.043 0.000 1.049 537 V CB -0.627 31.165 31.823 -0.052 0.000 0.662 537 V HN 0.186 nan 8.190 nan 0.000 0.455 538 K N 0.741 121.120 120.400 -0.035 0.000 2.057 538 K HA -0.182 4.132 4.320 -0.011 0.000 0.206 538 K C 2.279 178.851 176.600 -0.046 0.000 1.050 538 K CA 2.092 58.366 56.287 -0.022 0.000 0.935 538 K CB -0.643 31.858 32.500 0.001 0.000 0.715 538 K HN 0.547 nan 8.250 nan 0.000 0.439 539 Q N 1.088 120.855 119.800 -0.054 0.000 2.079 539 Q HA -0.086 4.247 4.340 -0.011 0.000 0.200 539 Q C 1.705 177.679 176.000 -0.042 0.000 0.974 539 Q CA 1.945 57.707 55.803 -0.069 0.000 0.840 539 Q CB -0.131 28.572 28.738 -0.059 0.000 0.898 539 Q HN 0.514 nan 8.270 nan 0.000 0.430 540 E N -0.519 119.669 120.200 -0.021 0.000 2.110 540 E HA -0.161 4.183 4.350 -0.011 0.000 0.193 540 E C 1.732 178.347 176.600 0.024 0.000 0.988 540 E CA 0.944 57.346 56.400 0.003 0.000 0.804 540 E CB -0.018 29.683 29.700 0.002 0.000 0.745 540 E HN 0.376 nan 8.360 nan 0.000 0.458 541 N N 0.885 119.596 118.700 0.018 0.000 2.084 541 N HA -0.139 4.594 4.740 -0.011 0.000 0.190 541 N C 1.505 177.074 175.510 0.099 0.000 1.030 541 N CA 1.095 54.174 53.050 0.048 0.000 0.849 541 N CB -0.096 38.406 38.487 0.024 0.000 1.012 541 N HN 0.117 nan 8.380 nan 0.000 0.423 542 K N 0.563 120.979 120.400 0.028 0.000 2.097 542 K HA -0.025 4.288 4.320 -0.011 0.000 0.206 542 K C 2.104 178.788 176.600 0.140 0.000 1.049 542 K CA 0.700 56.996 56.287 0.014 0.000 0.933 542 K CB -0.186 32.072 32.500 -0.404 0.000 0.717 542 K HN 0.124 nan 8.250 nan 0.000 0.442 543 L N 1.063 122.329 121.223 0.071 0.000 2.056 543 L HA -0.166 4.168 4.340 -0.011 0.000 0.207 543 L C 2.593 179.543 176.870 0.132 0.000 1.078 543 L CA 1.139 56.031 54.840 0.088 0.000 0.749 543 L CB -0.237 41.851 42.059 0.050 0.000 0.901 543 L HN 0.105 nan 8.230 nan 0.000 0.433 544 K N -0.545 119.943 120.400 0.147 0.000 2.148 544 K HA -0.169 4.145 4.320 -0.011 0.000 0.204 544 K C 2.136 178.883 176.600 0.245 0.000 1.050 544 K CA 1.309 57.695 56.287 0.166 0.000 0.942 544 K CB -0.084 32.501 32.500 0.142 0.000 0.724 544 K HN 0.126 nan 8.250 nan 0.000 0.446 545 F N 1.361 121.398 119.950 0.144 0.000 2.187 545 F HA -0.023 4.497 4.527 -0.011 0.000 0.295 545 F C 2.084 178.023 175.800 0.231 0.000 1.091 545 F CA 1.071 59.176 58.000 0.175 0.000 1.308 545 F CB -0.516 38.594 39.000 0.184 0.000 1.030 545 F HN -0.014 nan 8.300 nan 0.000 0.487 546 A N 0.283 123.227 122.820 0.206 0.000 1.978 546 A HA -0.109 4.204 4.320 -0.011 0.000 0.220 546 A C 2.377 179.962 177.584 0.002 0.000 1.170 546 A CA 1.927 54.007 52.037 0.072 0.000 0.636 546 A CB -1.461 17.638 19.000 0.164 0.000 0.810 546 A HN 0.478 nan 8.150 nan 0.000 0.448 547 A N -1.367 121.490 122.820 0.062 0.000 1.854 547 A HA -0.011 4.303 4.320 -0.011 0.000 0.214 547 A C 2.114 179.724 177.584 0.044 0.000 1.192 547 A CA 1.463 53.537 52.037 0.061 0.000 0.611 547 A CB -0.923 18.129 19.000 0.087 0.000 0.832 547 A HN 0.780 nan 8.150 nan 0.000 0.442 548 Y N 0.270 120.525 120.300 -0.074 0.000 2.151 548 Y HA -0.245 4.299 4.550 -0.011 0.000 0.284 548 Y C 1.882 177.710 175.900 -0.119 0.000 1.166 548 Y CA 1.797 59.848 58.100 -0.081 0.000 1.163 548 Y CB -0.401 38.026 38.460 -0.055 0.000 0.974 548 Y HN 0.190 nan 8.280 nan 0.000 0.511 549 L N 0.962 122.149 121.223 -0.060 0.000 2.013 549 L HA -0.246 4.087 4.340 -0.011 0.000 0.212 549 L C 2.390 179.217 176.870 -0.072 0.000 1.073 549 L CA 2.196 56.977 54.840 -0.098 0.000 0.753 549 L CB -1.130 40.794 42.059 -0.224 0.000 0.890 549 L HN 0.370 nan 8.230 nan 0.000 0.432 550 E N -1.640 118.524 120.200 -0.059 0.000 2.152 550 E HA -0.154 4.189 4.350 -0.011 0.000 0.192 550 E C 2.283 178.837 176.600 -0.078 0.000 0.983 550 E CA 0.409 56.795 56.400 -0.024 0.000 0.818 550 E CB 0.069 29.789 29.700 0.035 0.000 0.758 550 E HN 0.359 nan 8.360 nan 0.000 0.467 551 R N 0.743 121.164 120.500 -0.133 0.000 2.096 551 R HA -0.168 4.165 4.340 -0.011 0.000 0.229 551 R C 2.050 178.186 176.300 -0.274 0.000 1.134 551 R CA 1.716 57.711 56.100 -0.175 0.000 0.917 551 R CB -0.064 30.124 30.300 -0.187 0.000 0.832 551 R HN -0.009 nan 8.270 nan 0.000 0.430 552 E N -1.614 118.285 120.200 -0.502 0.000 2.299 552 E HA -0.071 4.272 4.350 -0.011 0.000 0.193 552 E C 0.918 177.076 176.600 -0.738 0.000 0.998 552 E CA 0.877 56.861 56.400 -0.695 0.000 0.851 552 E CB 0.352 29.399 29.700 -1.087 0.000 0.795 552 E HN 0.383 nan 8.360 nan 0.000 0.492 553 Y N -0.115 120.055 120.300 -0.215 0.000 2.467 553 Y HA 0.285 4.829 4.550 -0.011 0.000 0.259 553 Y C -0.320 175.545 175.900 -0.058 0.000 1.084 553 Y CA -0.389 57.650 58.100 -0.101 0.000 1.275 553 Y CB 0.785 39.203 38.460 -0.070 0.000 1.208 553 Y HN -0.340 nan 8.280 nan 0.000 0.511 554 K N 0.965 121.396 120.400 0.051 0.000 6.228 554 K HA -0.070 4.243 4.320 -0.011 0.000 0.581 554 K C -0.666 175.971 176.600 0.062 0.000 1.437 554 K CA 0.913 57.225 56.287 0.040 0.000 1.549 554 K CB -1.637 30.875 32.500 0.020 0.000 1.807 554 K HN 0.445 nan 8.250 nan 0.000 0.358 555 V N -2.644 117.311 119.914 0.069 0.000 5.829 555 V HA 0.011 4.125 4.120 -0.011 0.000 0.697 555 V C -0.134 176.035 176.094 0.124 0.000 1.997 555 V CA -0.056 62.297 62.300 0.089 0.000 3.668 555 V CB -1.078 30.793 31.823 0.080 0.000 0.116 555 V HN 0.969 nan 8.190 nan 0.000 0.567 556 H N 0.908 119.981 119.070 0.005 0.000 2.991 556 H HA -0.088 4.461 4.556 -0.011 0.000 0.255 556 H C -0.255 175.073 175.328 -0.000 0.000 0.700 556 H CA 1.921 57.973 56.048 0.007 0.000 0.964 556 H CB 0.096 29.868 29.762 0.016 0.000 1.230 556 H HN 1.335 nan 8.280 nan 0.000 0.450 557 I N 0.077 120.322 120.570 -0.542 0.000 3.195 557 I HA 0.437 4.600 4.170 -0.011 0.000 0.313 557 I C -0.639 175.232 176.117 -0.410 0.000 1.237 557 I CA -1.301 59.807 61.300 -0.319 0.000 0.963 557 I CB 2.208 40.094 38.000 -0.190 0.000 1.278 557 I HN 0.605 nan 8.210 nan 0.000 0.460 558 N N 2.963 121.612 118.700 -0.085 0.000 2.469 558 N HA 0.509 5.242 4.740 -0.011 0.000 0.253 558 N C -2.216 173.387 175.510 0.155 0.000 0.970 558 N CA -2.556 50.507 53.050 0.021 0.000 0.940 558 N CB 1.552 40.078 38.487 0.065 0.000 1.128 558 N HN 0.336 nan 8.380 nan 0.000 0.503 559 P HA 0.036 nan 4.420 nan 0.000 0.234 559 P C -0.017 177.235 177.300 -0.081 0.000 1.167 559 P CA 0.983 64.101 63.100 0.030 0.000 0.763 559 P CB 0.183 31.892 31.700 0.017 0.000 0.835 560 N N -1.122 117.582 118.700 0.007 0.000 2.392 560 N HA -0.003 4.730 4.740 -0.011 0.000 0.177 560 N C 0.617 176.155 175.510 0.047 0.000 1.066 560 N CA -0.079 52.976 53.050 0.008 0.000 0.895 560 N CB 0.083 38.591 38.487 0.035 0.000 0.988 560 N HN 0.142 nan 8.380 nan 0.000 0.457 561 S N 0.279 116.017 115.700 0.064 0.000 2.624 561 S HA 0.166 4.629 4.470 -0.011 0.000 0.263 561 S C 0.059 174.640 174.600 -0.032 0.000 1.287 561 S CA -0.820 57.409 58.200 0.048 0.000 0.990 561 S CB 0.907 64.152 63.200 0.076 0.000 0.950 561 S HN 0.160 nan 8.310 nan 0.000 0.561 562 L N 1.721 122.776 121.223 -0.281 0.000 2.360 562 L HA 0.345 4.679 4.340 -0.011 0.000 0.276 562 L C -1.034 175.815 176.870 -0.034 0.000 1.121 562 L CA -0.622 53.864 54.840 -0.590 0.000 0.845 562 L CB -0.119 41.330 42.059 -1.018 0.000 1.143 562 L HN 0.639 nan 8.230 nan 0.000 0.452 563 F N 3.696 123.511 119.950 -0.225 0.000 2.423 563 F HA 0.163 4.684 4.527 -0.010 0.000 0.356 563 F C 0.502 176.229 175.800 -0.121 0.000 1.170 563 F CA -0.949 56.984 58.000 -0.111 0.000 1.163 563 F CB -0.056 38.927 39.000 -0.028 0.000 1.318 563 F HN 0.407 nan 8.300 nan 0.000 0.569 564 D N 3.597 123.981 120.400 -0.026 0.000 2.365 564 D HA 0.255 4.888 4.640 -0.011 0.000 0.237 564 D C -0.880 175.351 176.300 -0.116 0.000 1.190 564 D CA 0.167 54.111 54.000 -0.092 0.000 0.867 564 D CB 1.092 41.828 40.800 -0.108 0.000 1.050 564 D HN 0.287 nan 8.370 nan 0.000 0.491 565 V N 3.256 123.085 119.914 -0.142 0.000 2.656 565 V HA 0.525 4.638 4.120 -0.011 0.000 0.307 565 V C -1.437 174.511 176.094 -0.243 0.000 1.051 565 V CA -0.699 61.505 62.300 -0.160 0.000 0.893 565 V CB 1.927 33.711 31.823 -0.065 0.000 0.999 565 V HN 0.526 nan 8.190 nan 0.000 0.426 566 Q N 4.850 124.523 119.800 -0.212 0.000 2.347 566 Q HA 0.677 5.011 4.340 -0.011 0.000 0.265 566 Q C -1.562 174.280 176.000 -0.263 0.000 1.024 566 Q CA -0.662 55.005 55.803 -0.226 0.000 0.731 566 Q CB 1.914 30.545 28.738 -0.179 0.000 1.245 566 Q HN 1.148 nan 8.270 nan 0.000 0.472 567 V N 2.299 122.044 119.914 -0.281 0.000 2.443 567 V HA 0.830 4.943 4.120 -0.011 0.000 0.293 567 V C -0.805 175.023 176.094 -0.444 0.000 1.021 567 V CA -0.576 61.370 62.300 -0.592 0.000 0.848 567 V CB 1.127 32.349 31.823 -1.002 0.000 0.998 567 V HN 0.823 nan 8.190 nan 0.000 0.424 568 K N 2.835 123.041 120.400 -0.323 0.000 2.842 568 K HA 0.469 4.783 4.320 -0.011 0.000 0.293 568 K C -1.248 175.369 176.600 0.028 0.000 1.068 568 K CA -1.055 55.211 56.287 -0.035 0.000 0.827 568 K CB 1.124 33.596 32.500 -0.045 0.000 1.524 568 K HN 0.440 nan 8.250 nan 0.000 0.368 569 R N 0.726 121.294 120.500 0.113 0.000 2.679 569 R HA 0.213 4.546 4.340 -0.011 0.000 0.268 569 R C 0.370 176.701 176.300 0.050 0.000 1.044 569 R CA -0.399 55.777 56.100 0.126 0.000 1.105 569 R CB -0.143 30.281 30.300 0.207 0.000 0.989 569 R HN 0.470 nan 8.270 nan 0.000 0.447 570 I N 4.250 124.816 120.570 -0.006 0.000 2.452 570 I HA 0.109 4.272 4.170 -0.011 0.000 0.287 570 I C 0.769 176.759 176.117 -0.211 0.000 1.079 570 I CA 0.587 61.831 61.300 -0.093 0.000 1.387 570 I CB -0.214 37.726 38.000 -0.099 0.000 1.404 570 I HN 0.282 nan 8.210 nan 0.000 0.522 571 H N 4.199 123.181 119.070 -0.146 0.000 3.016 571 H HA 0.259 4.808 4.556 -0.011 0.000 0.362 571 H C 0.306 175.531 175.328 -0.172 0.000 1.233 571 H CA -0.475 55.522 56.048 -0.086 0.000 1.124 571 H CB 2.108 31.718 29.762 -0.253 0.000 1.850 571 H HN 0.506 nan 8.280 nan 0.000 0.549 572 E N 0.825 121.107 120.200 0.136 0.000 2.158 572 E HA -0.143 4.200 4.350 -0.011 0.000 0.191 572 E C 1.348 177.724 176.600 -0.374 0.000 0.982 572 E CA 0.896 57.311 56.400 0.025 0.000 0.823 572 E CB 0.141 30.052 29.700 0.351 0.000 0.766 572 E HN 0.512 nan 8.360 nan 0.000 0.468 573 Y N 0.657 120.459 120.300 -0.830 0.000 2.373 573 Y HA 0.052 4.596 4.550 -0.011 0.000 0.293 573 Y C 1.541 177.175 175.900 -0.443 0.000 1.129 573 Y CA 0.590 58.009 58.100 -1.136 0.000 1.226 573 Y CB 0.071 37.865 38.460 -1.110 0.000 1.000 573 Y HN -0.221 nan 8.280 nan 0.000 0.549 574 K N 1.024 120.954 120.400 -0.783 0.000 2.366 574 K HA 0.011 4.324 4.320 -0.011 0.000 0.198 574 K C 0.236 176.666 176.600 -0.283 0.000 1.044 574 K CA 0.756 56.711 56.287 -0.553 0.000 0.973 574 K CB -0.170 32.025 32.500 -0.508 0.000 0.767 574 K HN 0.398 nan 8.250 nan 0.000 0.475 575 R N 0.780 121.143 120.500 -0.229 0.000 3.332 575 R HA -0.177 4.156 4.340 -0.011 0.000 0.263 575 R C 0.575 176.799 176.300 -0.126 0.000 1.053 575 R CA 0.200 56.217 56.100 -0.139 0.000 0.705 575 R CB -1.963 28.269 30.300 -0.114 0.000 1.166 575 R HN 0.206 nan 8.270 nan 0.000 0.427 576 Q N 0.177 119.903 119.800 -0.123 0.000 2.291 576 Q HA -0.036 4.297 4.340 -0.011 0.000 0.206 576 Q C 1.818 177.771 176.000 -0.077 0.000 0.976 576 Q CA 1.332 57.075 55.803 -0.101 0.000 0.875 576 Q CB 0.065 28.748 28.738 -0.093 0.000 0.927 576 Q HN 0.603 nan 8.270 nan 0.000 0.450 577 L N -0.672 120.509 121.223 -0.071 0.000 2.093 577 L HA -0.160 4.173 4.340 -0.011 0.000 0.208 577 L C 1.924 178.798 176.870 0.007 0.000 1.085 577 L CA 0.513 55.326 54.840 -0.044 0.000 0.755 577 L CB -0.279 41.763 42.059 -0.028 0.000 0.904 577 L HN 0.313 nan 8.230 nan 0.000 0.435 578 L N -0.218 121.000 121.223 -0.008 0.000 2.141 578 L HA -0.194 4.139 4.340 -0.011 0.000 0.209 578 L C 1.914 178.830 176.870 0.077 0.000 1.094 578 L CA 1.753 56.602 54.840 0.016 0.000 0.763 578 L CB -0.810 41.162 42.059 -0.145 0.000 0.908 578 L HN 0.264 nan 8.230 nan 0.000 0.437 579 N N -1.844 116.872 118.700 0.026 0.000 2.142 579 N HA -0.206 4.528 4.740 -0.011 0.000 0.186 579 N C 1.946 177.536 175.510 0.134 0.000 1.023 579 N CA 1.415 54.549 53.050 0.141 0.000 0.852 579 N CB -0.109 38.396 38.487 0.030 0.000 0.998 579 N HN 0.462 nan 8.380 nan 0.000 0.424 580 C N 0.689 120.006 119.300 0.028 0.000 2.413 580 C HA -0.079 4.374 4.460 -0.011 0.000 0.276 580 C C 2.582 177.573 174.990 0.001 0.000 1.248 580 C CA 0.409 59.399 59.018 -0.046 0.000 1.742 580 C CB -1.253 26.409 27.740 -0.131 0.000 2.017 580 C HN 0.517 nan 8.230 nan 0.000 0.481 581 L N -0.304 120.981 121.223 0.104 0.000 2.079 581 L HA -0.215 4.118 4.340 -0.011 0.000 0.210 581 L C 2.727 179.752 176.870 0.257 0.000 1.081 581 L CA 1.877 56.834 54.840 0.195 0.000 0.752 581 L CB -1.078 41.183 42.059 0.338 0.000 0.896 581 L HN 0.618 nan 8.230 nan 0.000 0.433 582 H N -0.183 118.982 119.070 0.159 0.000 2.326 582 H HA -0.126 4.424 4.556 -0.011 0.000 0.301 582 H C 2.264 177.578 175.328 -0.024 0.000 1.081 582 H CA 1.787 57.841 56.048 0.010 0.000 1.334 582 H CB 0.323 30.021 29.762 -0.106 0.000 1.385 582 H HN 0.077 nan 8.280 nan 0.000 0.504 583 V N 1.552 121.388 119.914 -0.131 0.000 2.332 583 V HA -0.279 3.834 4.120 -0.011 0.000 0.248 583 V C 2.798 178.828 176.094 -0.106 0.000 1.055 583 V CA 1.941 64.130 62.300 -0.185 0.000 1.038 583 V CB -0.501 31.258 31.823 -0.106 0.000 0.651 583 V HN 0.393 nan 8.190 nan 0.000 0.450 584 I N -0.493 120.051 120.570 -0.043 0.000 2.394 584 I HA -0.194 3.969 4.170 -0.011 0.000 0.251 584 I C 2.463 178.646 176.117 0.110 0.000 1.136 584 I CA 1.526 62.873 61.300 0.078 0.000 1.425 584 I CB -0.533 37.493 38.000 0.043 0.000 1.079 584 I HN 0.307 nan 8.210 nan 0.000 0.425 585 T N 1.084 115.652 114.554 0.023 0.000 2.746 585 T HA -0.129 4.214 4.350 -0.011 0.000 0.267 585 T C 1.862 176.517 174.700 -0.076 0.000 1.039 585 T CA 1.138 63.241 62.100 0.004 0.000 1.142 585 T CB -0.171 68.711 68.868 0.025 0.000 0.866 585 T HN 0.067 nan 8.240 nan 0.000 0.444 586 L N 0.251 121.360 121.223 -0.191 0.000 2.012 586 L HA -0.038 4.295 4.340 -0.011 0.000 0.210 586 L C 2.111 178.940 176.870 -0.069 0.000 1.073 586 L CA 1.622 56.345 54.840 -0.194 0.000 0.748 586 L CB -1.185 40.694 42.059 -0.301 0.000 0.891 586 L HN 0.322 nan 8.230 nan 0.000 0.431 587 Y N 0.681 120.918 120.300 -0.105 0.000 2.128 587 Y HA -0.305 4.238 4.550 -0.011 0.000 0.284 587 Y C 2.461 178.340 175.900 -0.035 0.000 1.154 587 Y CA 2.014 60.092 58.100 -0.036 0.000 1.149 587 Y CB -0.347 38.142 38.460 0.049 0.000 0.976 587 Y HN 0.303 nan 8.280 nan 0.000 0.505 588 N N 0.256 118.914 118.700 -0.071 0.000 2.223 588 N HA -0.127 4.607 4.740 -0.011 0.000 0.185 588 N C 1.878 177.279 175.510 -0.181 0.000 1.016 588 N CA 1.430 54.377 53.050 -0.172 0.000 0.863 588 N CB -0.343 38.107 38.487 -0.061 0.000 0.983 588 N HN 0.449 nan 8.380 nan 0.000 0.429 589 R N 0.231 120.649 120.500 -0.137 0.000 2.090 589 R HA 0.119 4.452 4.340 -0.011 0.000 0.228 589 R C 2.127 178.340 176.300 -0.145 0.000 1.110 589 R CA 0.621 56.647 56.100 -0.123 0.000 0.973 589 R CB -0.157 30.081 30.300 -0.104 0.000 0.869 589 R HN 0.222 nan 8.270 nan 0.000 0.440 590 I N 0.885 121.347 120.570 -0.181 0.000 2.252 590 I HA -0.238 3.926 4.170 -0.011 0.000 0.245 590 I C 1.947 177.944 176.117 -0.200 0.000 1.102 590 I CA 1.139 62.332 61.300 -0.178 0.000 1.385 590 I CB -0.052 37.841 38.000 -0.178 0.000 1.064 590 I HN -0.007 nan 8.210 nan 0.000 0.414 591 K N 0.732 120.953 120.400 -0.298 0.000 2.283 591 K HA -0.171 4.142 4.320 -0.011 0.000 0.202 591 K C 1.965 178.462 176.600 -0.172 0.000 1.048 591 K CA 0.905 57.028 56.287 -0.274 0.000 0.948 591 K CB -0.163 32.091 32.500 -0.410 0.000 0.742 591 K HN 0.157 nan 8.250 nan 0.000 0.458 592 K N 1.788 122.096 120.400 -0.152 0.000 2.137 592 K HA -0.041 4.272 4.320 -0.011 0.000 0.202 592 K C 0.091 176.643 176.600 -0.081 0.000 1.052 592 K CA 1.069 57.292 56.287 -0.106 0.000 0.961 592 K CB 0.450 32.891 32.500 -0.098 0.000 0.741 592 K HN 0.033 nan 8.250 nan 0.000 0.452 593 E N 0.695 120.845 120.200 -0.082 0.000 3.108 593 E HA 0.174 4.517 4.350 -0.011 0.000 0.228 593 E C -2.370 174.192 176.600 -0.063 0.000 1.176 593 E CA -1.734 54.630 56.400 -0.059 0.000 0.881 593 E CB 1.609 31.281 29.700 -0.047 0.000 1.354 593 E HN 0.081 nan 8.360 nan 0.000 0.400 594 P HA -0.156 nan 4.420 nan 0.000 0.216 594 P C 0.317 177.597 177.300 -0.034 0.000 1.150 594 P CA 1.229 64.295 63.100 -0.057 0.000 0.837 594 P CB 0.146 31.816 31.700 -0.049 0.000 0.786 595 N N -0.872 117.817 118.700 -0.017 0.000 2.346 595 N HA 0.025 4.759 4.740 -0.011 0.000 0.225 595 N C 0.396 175.920 175.510 0.023 0.000 1.144 595 N CA -0.006 53.047 53.050 0.005 0.000 0.837 595 N CB -0.044 38.447 38.487 0.007 0.000 1.069 595 N HN 0.073 nan 8.380 nan 0.000 0.487 596 K N 0.968 121.375 120.400 0.012 0.000 2.164 596 K HA 0.202 4.516 4.320 -0.011 0.000 0.258 596 K C -1.098 175.536 176.600 0.057 0.000 0.951 596 K CA -0.656 55.653 56.287 0.038 0.000 0.844 596 K CB 0.887 33.390 32.500 0.005 0.000 1.099 596 K HN -0.051 nan 8.250 nan 0.000 0.435 597 F N 4.463 124.399 119.950 -0.022 0.000 2.427 597 F HA 0.265 4.785 4.527 -0.011 0.000 0.352 597 F C -0.473 175.312 175.800 -0.024 0.000 1.100 597 F CA -0.117 57.871 58.000 -0.020 0.000 1.191 597 F CB 0.722 39.713 39.000 -0.015 0.000 1.128 597 F HN 0.195 nan 8.300 nan 0.000 0.533 598 V N 4.024 123.309 119.914 -1.048 0.000 2.925 598 V HA 0.542 4.655 4.120 -0.011 0.000 0.311 598 V C -0.821 174.650 176.094 -1.038 0.000 1.104 598 V CA -1.219 60.636 62.300 -0.741 0.000 0.954 598 V CB 0.982 32.578 31.823 -0.378 0.000 1.022 598 V HN 0.563 nan 8.190 nan 0.000 0.427 599 V N 4.577 124.180 119.914 -0.519 0.000 2.485 599 V HA 0.208 4.321 4.120 -0.011 0.000 0.287 599 V C -1.802 174.135 176.094 -0.263 0.000 1.022 599 V CA -0.475 61.657 62.300 -0.279 0.000 1.067 599 V CB 0.462 32.239 31.823 -0.075 0.000 0.967 599 V HN 0.912 nan 8.190 nan 0.000 0.479 600 P HA 0.374 nan 4.420 nan 0.000 0.269 600 P C -0.481 176.733 177.300 -0.144 0.000 1.209 600 P CA -0.142 62.874 63.100 -0.140 0.000 0.776 600 P CB 0.564 32.232 31.700 -0.054 0.000 0.876 601 R N 0.555 120.981 120.500 -0.122 0.000 2.698 601 R HA 0.586 4.919 4.340 -0.011 0.000 0.275 601 R C -0.966 175.287 176.300 -0.078 0.000 1.001 601 R CA -0.584 55.444 56.100 -0.121 0.000 0.896 601 R CB 1.990 32.200 30.300 -0.151 0.000 1.218 601 R HN 0.279 nan 8.270 nan 0.000 0.462 602 T N 1.996 116.513 114.554 -0.062 0.000 2.864 602 T HA 0.228 4.571 4.350 -0.011 0.000 0.310 602 T C -0.874 173.726 174.700 -0.166 0.000 1.040 602 T CA -0.562 61.459 62.100 -0.132 0.000 0.977 602 T CB 1.138 69.855 68.868 -0.252 0.000 0.976 602 T HN 0.347 nan 8.240 nan 0.000 0.459 603 V N 4.988 124.816 119.914 -0.143 0.000 2.350 603 V HA 0.691 4.804 4.120 -0.011 0.000 0.276 603 V C -0.523 175.482 176.094 -0.147 0.000 1.028 603 V CA -0.671 61.550 62.300 -0.131 0.000 0.860 603 V CB 0.646 32.414 31.823 -0.091 0.000 0.990 603 V HN 0.858 nan 8.190 nan 0.000 0.453 604 M N 7.386 126.885 119.600 -0.168 0.000 2.205 604 M HA 0.608 5.081 4.480 -0.011 0.000 0.344 604 M C -0.877 175.308 176.300 -0.191 0.000 1.085 604 M CA -0.227 54.967 55.300 -0.177 0.000 1.001 604 M CB 1.972 34.462 32.600 -0.183 0.000 1.626 604 M HN 0.526 nan 8.290 nan 0.000 0.442 605 I N 2.054 122.497 120.570 -0.211 0.000 2.436 605 I HA 0.766 4.930 4.170 -0.011 0.000 0.289 605 I C 0.063 175.870 176.117 -0.516 0.000 1.010 605 I CA -0.556 60.599 61.300 -0.241 0.000 1.098 605 I CB 2.147 40.099 38.000 -0.080 0.000 1.266 605 I HN 0.813 nan 8.210 nan 0.000 0.434 606 G N 3.184 111.644 108.800 -0.566 0.000 2.660 606 G HA2 0.846 4.799 3.960 -0.011 0.000 0.294 606 G HA3 0.846 4.799 3.960 -0.011 0.000 0.294 606 G C -0.960 173.647 174.900 -0.488 0.000 1.369 606 G CA -0.809 43.814 45.100 -0.794 0.000 0.912 606 G HN 0.958 nan 8.290 nan 0.000 0.479 607 G N -0.383 108.272 108.800 -0.242 0.000 2.352 607 G HA2 0.415 4.368 3.960 -0.011 0.000 0.305 607 G HA3 0.415 4.368 3.960 -0.011 0.000 0.305 607 G C -1.433 173.591 174.900 0.207 0.000 1.537 607 G CA -1.007 44.121 45.100 0.047 0.000 0.959 607 G HN 0.608 nan 8.290 nan 0.000 0.668 608 K N -0.288 120.229 120.400 0.196 0.000 2.123 608 K HA 0.788 5.101 4.320 -0.011 0.000 0.259 608 K C 0.155 176.873 176.600 0.197 0.000 0.960 608 K CA -0.234 56.186 56.287 0.222 0.000 0.872 608 K CB 2.043 34.587 32.500 0.073 0.000 1.079 608 K HN 0.909 nan 8.250 nan 0.000 0.440 609 A N 1.374 124.346 122.820 0.253 0.000 2.337 609 A HA 0.687 5.001 4.320 -0.011 0.000 0.329 609 A C -0.625 177.112 177.584 0.256 0.000 1.146 609 A CA -0.742 51.377 52.037 0.136 0.000 0.800 609 A CB 1.175 20.183 19.000 0.012 0.000 1.220 609 A HN 0.769 nan 8.150 nan 0.000 0.472 610 A N 3.328 126.272 122.820 0.207 0.000 2.498 610 A HA 0.495 4.808 4.320 -0.011 0.000 0.239 610 A C -1.391 176.250 177.584 0.096 0.000 1.068 610 A CA -0.868 51.295 52.037 0.209 0.000 0.766 610 A CB -0.365 18.715 19.000 0.133 0.000 1.003 610 A HN 0.592 nan 8.150 nan 0.000 0.497 611 P HA -0.163 nan 4.420 nan 0.000 0.217 611 P C 1.307 178.582 177.300 -0.042 0.000 1.151 611 P CA 2.093 65.117 63.100 -0.127 0.000 0.849 611 P CB 0.189 31.768 31.700 -0.201 0.000 0.787 612 G N -3.365 105.432 108.800 -0.004 0.000 3.088 612 G HA2 -0.101 3.853 3.960 -0.011 0.000 0.217 612 G HA3 -0.101 3.853 3.960 -0.011 0.000 0.217 612 G C -0.160 174.773 174.900 0.054 0.000 1.159 612 G CA -0.014 45.090 45.100 0.007 0.000 0.760 612 G HN 0.163 nan 8.290 nan 0.000 0.550 613 Y N 2.402 122.635 120.300 -0.112 0.000 2.636 613 Y HA 0.193 4.736 4.550 -0.011 0.000 0.341 613 Y C 1.473 177.354 175.900 -0.032 0.000 1.169 613 Y CA -1.800 56.224 58.100 -0.128 0.000 1.498 613 Y CB -0.674 37.671 38.460 -0.191 0.000 1.362 613 Y HN 0.369 nan 8.280 nan 0.000 0.494 614 H N 3.602 122.773 119.070 0.168 0.000 2.319 614 H HA -0.216 4.334 4.556 -0.011 0.000 0.297 614 H C 1.694 177.035 175.328 0.021 0.000 1.097 614 H CA 2.284 58.377 56.048 0.076 0.000 1.285 614 H CB 0.391 30.198 29.762 0.075 0.000 1.368 614 H HN 0.603 nan 8.280 nan 0.000 0.495 615 M N 1.041 120.602 119.600 -0.066 0.000 2.117 615 M HA -0.071 4.402 4.480 -0.011 0.000 0.262 615 M C 2.589 178.625 176.300 -0.440 0.000 1.065 615 M CA 1.818 56.994 55.300 -0.206 0.000 1.114 615 M CB -0.894 31.725 32.600 0.031 0.000 1.361 615 M HN 0.343 nan 8.290 nan 0.000 0.408 616 A N -0.370 121.928 122.820 -0.869 0.000 1.933 616 A HA -0.206 4.107 4.320 -0.011 0.000 0.218 616 A C 2.188 179.555 177.584 -0.361 0.000 1.175 616 A CA 1.926 53.508 52.037 -0.759 0.000 0.628 616 A CB -0.664 17.694 19.000 -1.070 0.000 0.814 616 A HN 0.600 nan 8.150 nan 0.000 0.444 617 K N -1.242 119.001 120.400 -0.263 0.000 2.217 617 K HA 0.014 4.327 4.320 -0.011 0.000 0.202 617 K C 1.761 178.315 176.600 -0.077 0.000 1.051 617 K CA 1.008 57.233 56.287 -0.103 0.000 0.952 617 K CB -0.160 32.339 32.500 -0.003 0.000 0.736 617 K HN 0.327 nan 8.250 nan 0.000 0.453 618 M N 0.445 119.949 119.600 -0.159 0.000 2.319 618 M HA -0.014 4.459 4.480 -0.011 0.000 0.265 618 M C 1.968 178.207 176.300 -0.101 0.000 1.068 618 M CA 1.248 56.498 55.300 -0.082 0.000 1.118 618 M CB -0.406 32.112 32.600 -0.138 0.000 1.395 618 M HN 0.113 nan 8.290 nan 0.000 0.435 619 I N -0.538 119.929 120.570 -0.172 0.000 2.353 619 I HA -0.247 3.917 4.170 -0.011 0.000 0.248 619 I C 2.183 178.163 176.117 -0.227 0.000 1.119 619 I CA 0.844 62.032 61.300 -0.187 0.000 1.417 619 I CB -0.206 37.683 38.000 -0.184 0.000 1.078 619 I HN 0.138 nan 8.210 nan 0.000 0.421 620 I N 0.809 121.222 120.570 -0.262 0.000 2.286 620 I HA -0.280 3.884 4.170 -0.011 0.000 0.248 620 I C 2.518 178.331 176.117 -0.506 0.000 1.115 620 I CA 1.161 62.200 61.300 -0.434 0.000 1.392 620 I CB -0.196 37.525 38.000 -0.465 0.000 1.065 620 I HN 0.144 nan 8.210 nan 0.000 0.418 621 K N 1.365 121.497 120.400 -0.447 0.000 2.155 621 K HA -0.095 4.219 4.320 -0.011 0.000 0.203 621 K C 1.984 178.418 176.600 -0.276 0.000 1.052 621 K CA 1.257 57.203 56.287 -0.569 0.000 0.948 621 K CB -0.329 31.573 32.500 -0.997 0.000 0.728 621 K HN 0.219 nan 8.250 nan 0.000 0.448 622 L N 0.320 121.397 121.223 -0.243 0.000 2.056 622 L HA -0.085 4.249 4.340 -0.011 0.000 0.207 622 L C 2.045 178.668 176.870 -0.410 0.000 1.078 622 L CA 1.383 55.920 54.840 -0.505 0.000 0.749 622 L CB -0.228 41.453 42.059 -0.631 0.000 0.901 622 L HN 0.235 nan 8.230 nan 0.000 0.433 623 I N -0.049 120.332 120.570 -0.314 0.000 2.142 623 I HA -0.335 3.828 4.170 -0.011 0.000 0.240 623 I C 2.634 178.632 176.117 -0.199 0.000 1.078 623 I CA 1.971 63.138 61.300 -0.223 0.000 1.343 623 I CB -0.557 37.385 38.000 -0.097 0.000 1.046 623 I HN 0.400 nan 8.210 nan 0.000 0.405 624 T N -0.757 113.650 114.554 -0.245 0.000 2.788 624 T HA -0.099 4.245 4.350 -0.011 0.000 0.268 624 T C 1.970 176.591 174.700 -0.133 0.000 1.044 624 T CA 0.979 62.968 62.100 -0.184 0.000 1.139 624 T CB -0.519 68.197 68.868 -0.254 0.000 0.867 624 T HN 0.345 nan 8.240 nan 0.000 0.454 625 A N 1.425 124.161 122.820 -0.139 0.000 1.933 625 A HA 0.144 4.457 4.320 -0.011 0.000 0.218 625 A C 2.369 179.947 177.584 -0.010 0.000 1.175 625 A CA 1.267 53.289 52.037 -0.025 0.000 0.628 625 A CB -0.807 18.259 19.000 0.110 0.000 0.814 625 A HN 0.589 nan 8.150 nan 0.000 0.444 626 I N -0.348 120.112 120.570 -0.183 0.000 2.252 626 I HA -0.177 3.987 4.170 -0.011 0.000 0.245 626 I C 2.674 178.733 176.117 -0.096 0.000 1.102 626 I CA 1.081 62.255 61.300 -0.211 0.000 1.385 626 I CB -0.493 37.269 38.000 -0.397 0.000 1.064 626 I HN 0.388 nan 8.210 nan 0.000 0.414 627 G N 0.266 109.002 108.800 -0.106 0.000 2.422 627 G HA2 -0.245 3.708 3.960 -0.011 0.000 0.218 627 G HA3 -0.245 3.708 3.960 -0.011 0.000 0.218 627 G C 1.270 176.119 174.900 -0.084 0.000 1.146 627 G CA 0.852 45.892 45.100 -0.099 0.000 0.769 627 G HN 0.271 nan 8.290 nan 0.000 0.547 628 D N 0.066 120.462 120.400 -0.006 0.000 2.149 628 D HA -0.086 4.547 4.640 -0.011 0.000 0.198 628 D C 2.703 179.079 176.300 0.127 0.000 0.990 628 D CA 0.738 54.802 54.000 0.107 0.000 0.839 628 D CB -0.167 40.678 40.800 0.076 0.000 0.948 628 D HN 0.249 nan 8.370 nan 0.000 0.460 629 V N 0.160 120.079 119.914 0.008 0.000 2.300 629 V HA -0.135 3.979 4.120 -0.011 0.000 0.241 629 V C 2.626 178.650 176.094 -0.118 0.000 1.034 629 V CA 0.712 62.962 62.300 -0.083 0.000 1.021 629 V CB -0.352 31.346 31.823 -0.209 0.000 0.662 629 V HN 0.012 nan 8.190 nan 0.000 0.458 630 V N 1.072 120.856 119.914 -0.217 0.000 2.287 630 V HA -0.247 3.866 4.120 -0.011 0.000 0.248 630 V C 2.121 178.167 176.094 -0.080 0.000 1.053 630 V CA 2.190 64.382 62.300 -0.180 0.000 1.027 630 V CB -0.921 30.796 31.823 -0.177 0.000 0.646 630 V HN 0.577 nan 8.190 nan 0.000 0.447 631 N N -0.486 118.089 118.700 -0.209 0.000 2.573 631 N HA -0.082 4.651 4.740 -0.011 0.000 0.187 631 N C 1.023 176.242 175.510 -0.484 0.000 1.107 631 N CA 0.864 53.700 53.050 -0.356 0.000 0.918 631 N CB -0.296 37.888 38.487 -0.506 0.000 0.966 631 N HN 0.716 nan 8.380 nan 0.000 0.448 632 H N -1.780 117.302 119.070 0.019 0.000 2.767 632 H HA 0.208 4.758 4.556 -0.011 0.000 0.260 632 H C -0.676 174.675 175.328 0.039 0.000 1.172 632 H CA -0.508 55.552 56.048 0.020 0.000 1.048 632 H CB 0.750 30.511 29.762 -0.001 0.000 1.697 632 H HN -0.047 nan 8.280 nan 0.000 0.606 633 D N 1.638 122.122 120.400 0.140 0.000 2.347 633 D HA 0.073 4.706 4.640 -0.011 0.000 0.235 633 D C -1.671 174.693 176.300 0.106 0.000 1.149 633 D CA -2.183 51.910 54.000 0.154 0.000 0.850 633 D CB 1.798 42.762 40.800 0.275 0.000 1.061 633 D HN 0.095 nan 8.370 nan 0.000 0.487 634 P HA -0.132 nan 4.420 nan 0.000 0.216 634 P C 1.595 178.919 177.300 0.040 0.000 1.150 634 P CA 0.435 63.568 63.100 0.055 0.000 0.837 634 P CB 0.422 32.149 31.700 0.045 0.000 0.786 635 V N -0.613 119.321 119.914 0.034 0.000 2.490 635 V HA -0.170 3.943 4.120 -0.011 0.000 0.250 635 V C 2.422 178.516 176.094 0.000 0.000 1.061 635 V CA 1.509 63.814 62.300 0.007 0.000 1.064 635 V CB -1.004 30.811 31.823 -0.015 0.000 0.670 635 V HN -0.011 nan 8.190 nan 0.000 0.461 636 V N -0.311 119.619 119.914 0.026 0.000 2.453 636 V HA 0.116 4.229 4.120 -0.011 0.000 0.247 636 V C 1.807 177.910 176.094 0.015 0.000 1.048 636 V CA 1.478 63.793 62.300 0.024 0.000 1.049 636 V CB -1.064 30.818 31.823 0.098 0.000 0.672 636 V HN 0.734 nan 8.190 nan 0.000 0.457 637 G N 1.503 110.319 108.800 0.028 0.000 2.556 637 G HA2 -0.411 3.542 3.960 -0.011 0.000 0.283 637 G HA3 -0.411 3.542 3.960 -0.011 0.000 0.283 637 G C 0.291 175.206 174.900 0.024 0.000 1.177 637 G CA 0.650 45.766 45.100 0.026 0.000 0.978 637 G HN 0.719 nan 8.290 nan 0.000 0.554 638 D N -0.117 120.297 120.400 0.024 0.000 2.368 638 D HA 0.307 4.941 4.640 -0.011 0.000 0.218 638 D C 1.898 178.199 176.300 0.001 0.000 1.112 638 D CA 0.285 54.302 54.000 0.028 0.000 0.834 638 D CB 0.102 40.935 40.800 0.055 0.000 0.953 638 D HN 0.584 nan 8.370 nan 0.000 0.505 639 R N -0.552 119.935 120.500 -0.023 0.000 2.193 639 R HA 0.247 4.580 4.340 -0.011 0.000 0.213 639 R C -0.144 176.113 176.300 -0.072 0.000 1.055 639 R CA 0.397 56.456 56.100 -0.068 0.000 0.995 639 R CB 0.097 30.333 30.300 -0.106 0.000 0.893 639 R HN 0.175 nan 8.270 nan 0.000 0.459 640 L N 0.654 121.853 121.223 -0.041 0.000 2.562 640 L HA 0.380 4.713 4.340 -0.011 0.000 0.266 640 L C -1.582 175.264 176.870 -0.039 0.000 0.949 640 L CA -0.518 54.296 54.840 -0.044 0.000 0.879 640 L CB 1.665 43.710 42.059 -0.024 0.000 1.278 640 L HN -0.124 nan 8.230 nan 0.000 0.404 641 R N 4.042 124.504 120.500 -0.064 0.000 2.686 641 R HA 0.772 5.105 4.340 -0.011 0.000 0.286 641 R C -1.521 174.720 176.300 -0.099 0.000 0.969 641 R CA -0.868 55.182 56.100 -0.082 0.000 0.898 641 R CB 2.385 32.634 30.300 -0.084 0.000 1.183 641 R HN 0.386 nan 8.270 nan 0.000 0.456 642 V N 4.626 124.478 119.914 -0.104 0.000 2.350 642 V HA 0.467 4.580 4.120 -0.011 0.000 0.285 642 V C -0.177 175.867 176.094 -0.084 0.000 1.014 642 V CA -0.624 61.617 62.300 -0.099 0.000 0.831 642 V CB 1.498 33.259 31.823 -0.103 0.000 1.000 642 V HN 0.578 nan 8.190 nan 0.000 0.433 643 I N 4.757 125.277 120.570 -0.082 0.000 2.509 643 I HA 0.467 4.631 4.170 -0.011 0.000 0.293 643 I C -0.865 175.234 176.117 -0.030 0.000 1.020 643 I CA -0.468 60.796 61.300 -0.060 0.000 1.088 643 I CB 2.139 40.077 38.000 -0.102 0.000 1.267 643 I HN 0.563 nan 8.210 nan 0.000 0.430 644 F N 7.521 127.401 119.950 -0.116 0.000 2.385 644 F HA 0.460 4.981 4.527 -0.011 0.000 0.360 644 F C -0.733 174.997 175.800 -0.116 0.000 1.122 644 F CA -0.754 57.178 58.000 -0.113 0.000 1.090 644 F CB 0.658 39.595 39.000 -0.104 0.000 1.150 644 F HN 0.123 nan 8.300 nan 0.000 0.472 645 L N 5.950 126.742 121.223 -0.718 0.000 2.407 645 L HA 0.143 4.477 4.340 -0.011 0.000 0.282 645 L C 0.420 176.964 176.870 -0.543 0.000 1.110 645 L CA 0.180 54.718 54.840 -0.502 0.000 0.863 645 L CB -0.201 41.659 42.059 -0.331 0.000 1.207 645 L HN 0.624 nan 8.230 nan 0.000 0.454 646 E N 3.037 123.055 120.200 -0.302 0.000 2.392 646 E HA -0.050 4.294 4.350 -0.011 0.000 0.264 646 E C 0.570 177.195 176.600 0.041 0.000 1.024 646 E CA -0.139 56.236 56.400 -0.042 0.000 0.903 646 E CB 0.287 29.963 29.700 -0.039 0.000 0.963 646 E HN 0.519 nan 8.360 nan 0.000 0.432 647 N N 2.388 121.188 118.700 0.166 0.000 2.714 647 N HA -0.288 4.445 4.740 -0.011 0.000 0.252 647 N C -1.477 174.120 175.510 0.146 0.000 1.014 647 N CA 0.523 53.676 53.050 0.172 0.000 0.735 647 N CB -1.395 37.216 38.487 0.206 0.000 0.924 647 N HN 0.435 nan 8.380 nan 0.000 0.540 648 Y N 1.372 121.665 120.300 -0.012 0.000 2.721 648 Y HA 0.095 4.638 4.550 -0.011 0.000 0.329 648 Y C 1.151 177.059 175.900 0.012 0.000 1.211 648 Y CA 0.535 58.616 58.100 -0.032 0.000 1.512 648 Y CB 0.244 38.654 38.460 -0.083 0.000 1.249 648 Y HN 0.359 nan 8.280 nan 0.000 0.549 649 R N 2.493 122.692 120.500 -0.502 0.000 2.844 649 R HA 0.517 4.851 4.340 -0.011 0.000 0.264 649 R C -0.121 175.843 176.300 -0.560 0.000 1.077 649 R CA -0.642 55.200 56.100 -0.429 0.000 0.953 649 R CB 0.341 30.576 30.300 -0.109 0.000 1.272 649 R HN 0.330 nan 8.270 nan 0.000 0.447 650 V N 1.049 120.666 119.914 -0.496 0.000 2.252 650 V HA -0.303 3.810 4.120 -0.011 0.000 0.249 650 V C 2.564 178.548 176.094 -0.183 0.000 1.056 650 V CA 2.868 64.952 62.300 -0.359 0.000 1.022 650 V CB -0.853 30.738 31.823 -0.387 0.000 0.641 650 V HN 0.955 nan 8.190 nan 0.000 0.445 651 S N 0.076 115.685 115.700 -0.152 0.000 2.419 651 S HA -0.178 4.285 4.470 -0.011 0.000 0.233 651 S C 1.904 176.464 174.600 -0.067 0.000 1.016 651 S CA 1.676 59.817 58.200 -0.099 0.000 0.974 651 S CB -0.514 62.655 63.200 -0.052 0.000 0.786 651 S HN 0.389 nan 8.310 nan 0.000 0.492 652 L N 1.873 123.057 121.223 -0.065 0.000 2.131 652 L HA 0.381 4.714 4.340 -0.011 0.000 0.206 652 L C 2.604 179.472 176.870 -0.003 0.000 1.087 652 L CA 1.340 56.178 54.840 -0.003 0.000 0.767 652 L CB -1.384 40.722 42.059 0.079 0.000 0.917 652 L HN 0.340 nan 8.230 nan 0.000 0.441 653 A N -0.728 122.069 122.820 -0.040 0.000 1.972 653 A HA -0.196 4.118 4.320 -0.011 0.000 0.219 653 A C 2.100 179.728 177.584 0.073 0.000 1.169 653 A CA 1.582 53.660 52.037 0.068 0.000 0.635 653 A CB -0.550 18.453 19.000 0.005 0.000 0.810 653 A HN 0.586 nan 8.150 nan 0.000 0.446 654 E N -0.391 119.848 120.200 0.065 0.000 2.338 654 E HA -0.147 4.196 4.350 -0.011 0.000 0.197 654 E C 1.774 178.338 176.600 -0.061 0.000 1.007 654 E CA 1.093 57.497 56.400 0.006 0.000 0.849 654 E CB -0.028 29.591 29.700 -0.136 0.000 0.774 654 E HN 0.621 nan 8.360 nan 0.000 0.506 655 K N -0.134 120.206 120.400 -0.100 0.000 2.168 655 K HA -0.009 4.304 4.320 -0.011 0.000 0.201 655 K C 2.122 178.496 176.600 -0.376 0.000 1.049 655 K CA 0.813 57.013 56.287 -0.144 0.000 0.974 655 K CB 0.435 32.856 32.500 -0.131 0.000 0.792 655 K HN -0.004 nan 8.250 nan 0.000 0.463 656 V N 0.487 120.092 119.914 -0.515 0.000 2.488 656 V HA -0.108 4.005 4.120 -0.011 0.000 0.246 656 V C 2.130 177.970 176.094 -0.424 0.000 1.046 656 V CA 1.071 62.887 62.300 -0.807 0.000 1.053 656 V CB -0.672 30.810 31.823 -0.568 0.000 0.679 656 V HN 0.162 nan 8.190 nan 0.000 0.458 657 I N 0.955 121.313 120.570 -0.355 0.000 2.163 657 I HA -0.131 4.032 4.170 -0.011 0.000 0.243 657 I C -0.111 175.874 176.117 -0.220 0.000 1.085 657 I CA 1.774 62.788 61.300 -0.476 0.000 1.347 657 I CB -1.555 36.055 38.000 -0.649 0.000 1.044 657 I HN 0.357 nan 8.210 nan 0.000 0.408 658 P HA -0.103 nan 4.420 nan 0.000 0.225 658 P C 0.879 178.168 177.300 -0.018 0.000 1.148 658 P CA 1.220 64.288 63.100 -0.053 0.000 0.779 658 P CB 0.026 31.704 31.700 -0.037 0.000 0.780 659 A N -1.341 121.453 122.820 -0.045 0.000 2.308 659 A HA 0.521 4.835 4.320 -0.011 0.000 0.217 659 A C 1.123 178.803 177.584 0.160 0.000 1.216 659 A CA 0.037 52.100 52.037 0.043 0.000 0.864 659 A CB -0.556 18.478 19.000 0.056 0.000 0.902 659 A HN 0.195 nan 8.150 nan 0.000 0.499 660 A N -0.274 122.643 122.820 0.163 0.000 2.316 660 A HA 0.517 4.830 4.320 -0.011 0.000 0.284 660 A C 0.294 178.025 177.584 0.245 0.000 1.115 660 A CA -0.217 51.984 52.037 0.274 0.000 0.812 660 A CB 0.432 19.709 19.000 0.462 0.000 1.064 660 A HN 0.234 nan 8.150 nan 0.000 0.489 661 D N 0.234 120.773 120.400 0.231 0.000 2.463 661 D HA 0.148 4.781 4.640 -0.011 0.000 0.237 661 D C -0.018 176.474 176.300 0.320 0.000 1.013 661 D CA 0.659 54.836 54.000 0.295 0.000 0.910 661 D CB 0.323 41.227 40.800 0.173 0.000 1.080 661 D HN 0.349 nan 8.370 nan 0.000 0.498 662 L N 1.059 122.358 121.223 0.126 0.000 2.362 662 L HA 0.326 4.659 4.340 -0.011 0.000 0.275 662 L C -0.780 175.947 176.870 -0.237 0.000 0.998 662 L CA -0.313 54.523 54.840 -0.006 0.000 0.820 662 L CB 2.122 44.151 42.059 -0.050 0.000 1.270 662 L HN -0.166 nan 8.230 nan 0.000 0.415 663 S N 3.982 119.453 115.700 -0.382 0.000 2.437 663 S HA 0.378 4.841 4.470 -0.011 0.000 0.305 663 S C -0.568 173.755 174.600 -0.462 0.000 1.109 663 S CA -0.678 57.044 58.200 -0.797 0.000 1.099 663 S CB 0.919 63.565 63.200 -0.923 0.000 1.004 663 S HN 0.559 nan 8.310 nan 0.000 0.475 664 E N 3.960 123.901 120.200 -0.431 0.000 2.081 664 E HA 0.238 4.582 4.350 -0.011 0.000 0.276 664 E C -0.652 175.844 176.600 -0.173 0.000 0.950 664 E CA -0.523 55.752 56.400 -0.209 0.000 0.776 664 E CB 1.183 30.790 29.700 -0.155 0.000 1.094 664 E HN 0.586 nan 8.360 nan 0.000 0.402 665 Q N 2.808 122.557 119.800 -0.085 0.000 2.965 665 Q HA 0.264 4.598 4.340 -0.011 0.000 0.288 665 Q C 0.595 176.580 176.000 -0.024 0.000 0.974 665 Q CA -0.137 55.629 55.803 -0.062 0.000 0.849 665 Q CB 0.228 28.943 28.738 -0.038 0.000 1.280 665 Q HN 0.617 nan 8.270 nan 0.000 0.441 666 I N -1.434 119.110 120.570 -0.044 0.000 3.626 666 I HA 0.287 4.450 4.170 -0.011 0.000 0.345 666 I C 0.267 176.331 176.117 -0.088 0.000 1.502 666 I CA -0.596 60.687 61.300 -0.029 0.000 1.135 666 I CB 0.160 38.135 38.000 -0.041 0.000 1.456 666 I HN -0.026 nan 8.210 nan 0.000 0.460 667 S N 0.396 116.044 115.700 -0.088 0.000 2.603 667 S HA 0.290 4.754 4.470 -0.011 0.000 0.268 667 S C 0.519 175.096 174.600 -0.039 0.000 1.317 667 S CA -0.385 57.776 58.200 -0.064 0.000 1.012 667 S CB 0.744 63.948 63.200 0.007 0.000 0.926 667 S HN 0.403 nan 8.310 nan 0.000 0.539 668 T N 2.423 116.987 114.554 0.016 0.000 2.853 668 T HA 0.414 4.757 4.350 -0.011 0.000 0.298 668 T C 0.681 175.389 174.700 0.012 0.000 0.978 668 T CA 0.130 62.248 62.100 0.031 0.000 1.152 668 T CB 0.063 69.020 68.868 0.149 0.000 0.914 668 T HN 0.983 nan 8.240 nan 0.000 0.539 669 A N 2.803 125.600 122.820 -0.038 0.000 2.573 669 A HA 0.433 4.746 4.320 -0.011 0.000 0.250 669 A C 1.647 179.222 177.584 -0.015 0.000 1.049 669 A CA 0.361 52.371 52.037 -0.044 0.000 0.767 669 A CB -0.970 17.992 19.000 -0.064 0.000 0.965 669 A HN 1.683 nan 8.150 nan 0.000 0.514 670 G N 1.449 110.239 108.800 -0.016 0.000 2.176 670 G HA2 -0.238 3.715 3.960 -0.011 0.000 0.232 670 G HA3 -0.238 3.715 3.960 -0.011 0.000 0.232 670 G C 0.938 175.826 174.900 -0.021 0.000 0.986 670 G CA 1.059 46.152 45.100 -0.012 0.000 0.643 670 G HN 2.019 nan 8.290 nan 0.000 0.522 671 T N -2.359 112.182 114.554 -0.023 0.000 3.034 671 T HA 0.406 4.750 4.350 -0.011 0.000 0.248 671 T C 0.734 175.299 174.700 -0.225 0.000 1.040 671 T CA 1.140 63.168 62.100 -0.119 0.000 1.107 671 T CB 0.566 69.403 68.868 -0.051 0.000 0.932 671 T HN 0.256 nan 8.240 nan 0.000 0.474 672 E N 1.351 121.532 120.200 -0.032 0.000 2.089 672 E HA 0.678 5.021 4.350 -0.011 0.000 0.284 672 E C 1.095 177.642 176.600 -0.088 0.000 1.023 672 E CA 0.022 56.439 56.400 0.029 0.000 0.819 672 E CB 0.929 30.693 29.700 0.107 0.000 1.076 672 E HN 0.321 nan 8.360 nan 0.000 0.396 673 A N 3.408 126.103 122.820 -0.209 0.000 1.892 673 A HA -0.209 4.104 4.320 -0.011 0.000 0.218 673 A C 1.916 179.383 177.584 -0.196 0.000 1.188 673 A CA 2.310 54.090 52.037 -0.429 0.000 0.631 673 A CB -0.236 18.346 19.000 -0.698 0.000 0.822 673 A HN 0.611 nan 8.150 nan 0.000 0.447 674 S N -4.216 111.431 115.700 -0.088 0.000 4.772 674 S HA 0.448 4.912 4.470 -0.011 0.000 0.177 674 S C 0.586 175.180 174.600 -0.010 0.000 1.117 674 S CA 1.356 59.547 58.200 -0.014 0.000 1.250 674 S CB -0.109 63.109 63.200 0.031 0.000 1.749 674 S HN 2.307 nan 8.310 nan 0.000 0.589 675 G N 0.413 109.210 108.800 -0.004 0.000 2.719 675 G HA2 -0.025 3.929 3.960 -0.011 0.000 0.686 675 G HA3 -0.025 3.929 3.960 -0.011 0.000 0.686 675 G C 0.206 175.088 174.900 -0.031 0.000 1.201 675 G CA 0.460 45.553 45.100 -0.012 0.000 0.768 675 G HN 1.307 nan 8.290 nan 0.000 0.629 676 T N -1.448 113.073 114.554 -0.055 0.000 2.992 676 T HA 0.380 4.723 4.350 -0.011 0.000 0.255 676 T C 2.354 176.957 174.700 -0.162 0.000 0.938 676 T CA 1.202 63.241 62.100 -0.101 0.000 0.895 676 T CB 0.458 69.257 68.868 -0.116 0.000 1.221 676 T HN 1.814 nan 8.240 nan 0.000 0.512 677 G N 3.081 111.809 108.800 -0.120 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 1.456 176.401 174.900 0.075 0.000 1.146 677 G CA 1.103 46.148 45.100 -0.092 0.000 0.769 677 G HN 0.812 nan 8.290 nan 0.000 0.547 678 N N 0.221 118.952 118.700 0.051 0.000 2.104 678 N HA -0.158 4.575 4.740 -0.011 0.000 0.190 678 N C 2.219 177.739 175.510 0.017 0.000 1.024 678 N CA 1.359 54.444 53.050 0.059 0.000 0.853 678 N CB -0.372 38.100 38.487 -0.025 0.000 1.008 678 N HN 0.332 nan 8.380 nan 0.000 0.424 679 M N 0.798 120.340 119.600 -0.097 0.000 2.175 679 M HA -0.046 4.427 4.480 -0.011 0.000 0.264 679 M C 2.061 178.322 176.300 -0.065 0.000 1.063 679 M CA 1.484 56.709 55.300 -0.126 0.000 1.119 679 M CB -0.119 32.408 32.600 -0.121 0.000 1.377 679 M HN 0.108 nan 8.290 nan 0.000 0.415 680 K N -0.065 120.238 120.400 -0.163 0.000 2.057 680 K HA -0.124 4.189 4.320 -0.011 0.000 0.207 680 K C 1.700 178.198 176.600 -0.169 0.000 1.049 680 K CA 1.413 57.545 56.287 -0.259 0.000 0.931 680 K CB -0.228 31.915 32.500 -0.595 0.000 0.714 680 K HN 0.164 nan 8.250 nan 0.000 0.440 681 F N 0.905 120.793 119.950 -0.104 0.000 2.146 681 F HA -0.095 4.425 4.527 -0.012 0.000 0.298 681 F C 2.519 178.293 175.800 -0.044 0.000 1.096 681 F CA 1.101 59.059 58.000 -0.069 0.000 1.275 681 F CB -0.259 38.688 39.000 -0.087 0.000 1.008 681 F HN -0.005 nan 8.300 nan 0.000 0.480 682 M N -0.351 119.334 119.600 0.142 0.000 2.117 682 M HA -0.188 4.285 4.480 -0.011 0.000 0.262 682 M C 2.059 178.412 176.300 0.087 0.000 1.065 682 M CA 1.638 56.989 55.300 0.085 0.000 1.114 682 M CB -0.239 32.404 32.600 0.071 0.000 1.361 682 M HN 0.276 nan 8.290 nan 0.000 0.408 683 L N 0.559 121.834 121.223 0.087 0.000 2.376 683 L HA -0.022 4.311 4.340 -0.011 0.000 0.219 683 L C 1.202 178.116 176.870 0.073 0.000 1.133 683 L CA 1.378 56.274 54.840 0.094 0.000 0.816 683 L CB -0.454 41.674 42.059 0.115 0.000 0.933 683 L HN 0.325 nan 8.230 nan 0.000 0.449 684 N N -0.088 118.647 118.700 0.059 0.000 2.214 684 N HA 0.185 4.918 4.740 -0.011 0.000 0.214 684 N C 0.829 176.371 175.510 0.055 0.000 1.132 684 N CA 0.778 53.854 53.050 0.044 0.000 0.856 684 N CB 0.684 39.175 38.487 0.006 0.000 1.020 684 N HN 0.401 nan 8.380 nan 0.000 0.509 685 G N 0.480 109.318 108.800 0.064 0.000 2.140 685 G HA2 -0.183 3.771 3.960 -0.011 0.000 0.211 685 G HA3 -0.183 3.771 3.960 -0.011 0.000 0.211 685 G C -0.044 174.925 174.900 0.115 0.000 1.013 685 G CA 0.112 45.252 45.100 0.067 0.000 0.705 685 G HN 0.509 nan 8.290 nan 0.000 0.508 686 A N -0.514 122.383 122.820 0.128 0.000 2.325 686 A HA 0.897 5.210 4.320 -0.011 0.000 0.333 686 A C -0.183 177.407 177.584 0.010 0.000 1.155 686 A CA -0.650 51.478 52.037 0.153 0.000 0.814 686 A CB 1.433 20.592 19.000 0.266 0.000 1.206 686 A HN 0.778 nan 8.150 nan 0.000 0.482 687 L N 0.744 121.945 121.223 -0.037 0.000 2.379 687 L HA 0.564 4.898 4.340 -0.011 0.000 0.269 687 L C 0.496 177.240 176.870 -0.210 0.000 1.084 687 L CA 0.501 55.216 54.840 -0.209 0.000 0.802 687 L CB 1.661 43.509 42.059 -0.351 0.000 1.175 687 L HN 0.736 nan 8.230 nan 0.000 0.448 688 T N 3.958 118.268 114.554 -0.407 0.000 2.779 688 T HA 0.514 4.858 4.350 -0.011 0.000 0.280 688 T C -0.332 174.253 174.700 -0.192 0.000 0.987 688 T CA -0.166 61.680 62.100 -0.425 0.000 0.966 688 T CB 0.874 69.316 68.868 -0.709 0.000 0.933 688 T HN 0.443 nan 8.240 nan 0.000 0.442 689 I N 3.089 123.637 120.570 -0.037 0.000 2.355 689 I HA 0.719 4.882 4.170 -0.011 0.000 0.288 689 I C 0.109 176.380 176.117 0.257 0.000 0.999 689 I CA 0.106 61.502 61.300 0.160 0.000 1.163 689 I CB 0.220 38.246 38.000 0.044 0.000 1.316 689 I HN 0.786 nan 8.210 nan 0.000 0.454 690 G N 3.976 112.998 108.800 0.369 0.000 2.600 690 G HA2 0.466 4.420 3.960 -0.011 0.000 0.293 690 G HA3 0.466 4.420 3.960 -0.011 0.000 0.293 690 G C -0.961 173.859 174.900 -0.135 0.000 1.408 690 G CA -0.299 44.932 45.100 0.219 0.000 0.782 690 G HN 0.563 nan 8.290 nan 0.000 0.482 691 T N -1.728 112.626 114.554 -0.334 0.000 2.927 691 T HA 0.543 4.886 4.350 -0.011 0.000 0.281 691 T C 0.617 175.196 174.700 -0.200 0.000 0.998 691 T CA -0.719 61.106 62.100 -0.458 0.000 1.019 691 T CB 1.297 69.896 68.868 -0.448 0.000 1.061 691 T HN 0.256 nan 8.240 nan 0.000 0.518 692 M N 2.983 122.475 119.600 -0.180 0.000 3.442 692 M HA 0.333 4.806 4.480 -0.011 0.000 0.232 692 M C -0.462 175.783 176.300 -0.093 0.000 1.508 692 M CA -0.021 55.210 55.300 -0.116 0.000 1.647 692 M CB -1.815 30.725 32.600 -0.100 0.000 1.126 692 M HN 0.750 nan 8.290 nan 0.000 0.557 693 D N -0.097 120.255 120.400 -0.080 0.000 2.547 693 D HA 0.695 5.328 4.640 -0.011 0.000 0.231 693 D C 0.680 176.958 176.300 -0.037 0.000 1.099 693 D CA 0.675 54.643 54.000 -0.053 0.000 0.901 693 D CB 1.702 42.471 40.800 -0.052 0.000 1.478 693 D HN 0.585 nan 8.370 nan 0.000 0.471 694 G N 1.148 109.936 108.800 -0.020 0.000 2.602 694 G HA2 -0.235 3.718 3.960 -0.011 0.000 0.317 694 G HA3 -0.235 3.718 3.960 -0.011 0.000 0.317 694 G C 1.034 175.930 174.900 -0.007 0.000 1.327 694 G CA 1.094 46.188 45.100 -0.010 0.000 0.971 694 G HN 1.056 nan 8.290 nan 0.000 0.540 695 A N -0.480 122.334 122.820 -0.010 0.000 2.216 695 A HA 0.038 4.351 4.320 -0.011 0.000 0.214 695 A C 2.130 179.661 177.584 -0.089 0.000 1.160 695 A CA 1.944 53.974 52.037 -0.012 0.000 0.725 695 A CB -0.483 18.500 19.000 -0.028 0.000 0.784 695 A HN 0.631 nan 8.150 nan 0.000 0.472 696 N N 0.366 119.016 118.700 -0.084 0.000 2.137 696 N HA -0.147 4.586 4.740 -0.011 0.000 0.190 696 N C 1.556 176.932 175.510 -0.223 0.000 1.017 696 N CA 1.574 54.561 53.050 -0.104 0.000 0.859 696 N CB -0.543 37.929 38.487 -0.026 0.000 1.002 696 N HN 0.301 nan 8.380 nan 0.000 0.428 697 V N 1.120 120.950 119.914 -0.141 0.000 2.343 697 V HA -0.189 3.924 4.120 -0.011 0.000 0.247 697 V C 1.956 177.974 176.094 -0.127 0.000 1.051 697 V CA 1.597 63.811 62.300 -0.142 0.000 1.036 697 V CB -0.452 31.326 31.823 -0.075 0.000 0.654 697 V HN 0.337 nan 8.190 nan 0.000 0.451 698 E N -0.570 119.615 120.200 -0.026 0.000 2.208 698 E HA -0.134 4.209 4.350 -0.011 0.000 0.193 698 E C 2.202 178.916 176.600 0.191 0.000 0.988 698 E CA 1.072 57.535 56.400 0.104 0.000 0.828 698 E CB -0.144 29.704 29.700 0.247 0.000 0.763 698 E HN 0.558 nan 8.360 nan 0.000 0.478 699 M N 0.111 119.711 119.600 -0.000 0.000 2.156 699 M HA -0.057 4.417 4.480 -0.011 0.000 0.264 699 M C 2.432 178.503 176.300 -0.383 0.000 1.067 699 M CA 1.284 56.528 55.300 -0.093 0.000 1.131 699 M CB -0.035 32.396 32.600 -0.282 0.000 1.368 699 M HN 0.101 nan 8.290 nan 0.000 0.416 700 A N -0.104 122.182 122.820 -0.891 0.000 2.015 700 A HA -0.176 4.137 4.320 -0.011 0.000 0.219 700 A C 1.980 179.359 177.584 -0.342 0.000 1.163 700 A CA 1.692 53.146 52.037 -0.971 0.000 0.646 700 A CB -0.687 17.742 19.000 -0.951 0.000 0.806 700 A HN 0.575 nan 8.150 nan 0.000 0.448 701 E N -0.318 119.753 120.200 -0.216 0.000 2.107 701 E HA -0.180 4.163 4.350 -0.011 0.000 0.191 701 E C 1.678 178.251 176.600 -0.045 0.000 0.982 701 E CA 1.077 57.418 56.400 -0.099 0.000 0.809 701 E CB -0.043 29.620 29.700 -0.062 0.000 0.756 701 E HN 0.536 nan 8.360 nan 0.000 0.459 702 E N 0.079 120.280 120.200 0.002 0.000 2.072 702 E HA -0.089 4.255 4.350 -0.011 0.000 0.190 702 E C 1.786 178.416 176.600 0.049 0.000 0.982 702 E CA 1.066 57.492 56.400 0.044 0.000 0.803 702 E CB -0.030 29.750 29.700 0.133 0.000 0.755 702 E HN 0.340 nan 8.360 nan 0.000 0.453 703 A N 0.394 123.251 122.820 0.062 0.000 2.132 703 A HA 0.370 4.683 4.320 -0.011 0.000 0.213 703 A C 0.999 178.607 177.584 0.041 0.000 1.154 703 A CA 0.998 53.087 52.037 0.086 0.000 0.753 703 A CB 0.124 19.238 19.000 0.189 0.000 0.826 703 A HN 0.232 nan 8.150 nan 0.000 0.469 704 G N -0.607 108.191 108.800 -0.004 0.000 3.067 704 G HA2 -0.088 3.865 3.960 -0.011 0.000 0.686 704 G HA3 -0.088 3.865 3.960 -0.011 0.000 0.686 704 G C -0.060 174.826 174.900 -0.023 0.000 1.119 704 G CA -0.016 45.072 45.100 -0.020 0.000 0.790 704 G HN 0.224 nan 8.290 nan 0.000 0.605 705 E N 0.719 120.891 120.200 -0.048 0.000 2.265 705 E HA -0.121 4.222 4.350 -0.011 0.000 0.196 705 E C 2.053 178.636 176.600 -0.028 0.000 0.996 705 E CA 1.671 58.048 56.400 -0.038 0.000 0.832 705 E CB 0.080 29.752 29.700 -0.047 0.000 0.756 705 E HN 0.767 nan 8.360 nan 0.000 0.491 706 E N 0.592 120.764 120.200 -0.047 0.000 2.268 706 E HA -0.092 4.252 4.350 -0.011 0.000 0.195 706 E C 0.899 177.405 176.600 -0.157 0.000 0.995 706 E CA 0.682 57.031 56.400 -0.086 0.000 0.836 706 E CB 0.037 29.702 29.700 -0.059 0.000 0.763 706 E HN 0.155 nan 8.360 nan 0.000 0.491 707 N N -0.285 118.351 118.700 -0.106 0.000 2.251 707 N HA 0.144 4.878 4.740 -0.011 0.000 0.217 707 N C -0.962 174.444 175.510 -0.173 0.000 1.124 707 N CA 0.090 53.043 53.050 -0.161 0.000 0.843 707 N CB 0.404 38.857 38.487 -0.057 0.000 1.024 707 N HN 0.044 nan 8.380 nan 0.000 0.501 708 F N -0.309 119.409 119.950 -0.387 0.000 2.576 708 F HA 0.406 4.925 4.527 -0.012 0.000 0.313 708 F C -0.785 174.767 175.800 -0.415 0.000 1.078 708 F CA -1.067 56.744 58.000 -0.315 0.000 0.921 708 F CB 1.394 40.309 39.000 -0.141 0.000 1.232 708 F HN -0.213 nan 8.300 nan 0.000 0.459 709 F N 5.318 125.287 119.950 0.032 0.000 2.359 709 F HA 0.425 4.946 4.527 -0.011 0.000 0.355 709 F C -0.375 175.559 175.800 0.224 0.000 1.132 709 F CA -0.492 57.560 58.000 0.086 0.000 1.246 709 F CB -0.035 38.963 39.000 -0.004 0.000 1.569 709 F HN 0.056 nan 8.300 nan 0.000 0.561 710 I N 3.676 124.443 120.570 0.329 0.000 2.396 710 I HA 0.400 4.564 4.170 -0.011 0.000 0.292 710 I C -0.122 176.163 176.117 0.280 0.000 0.999 710 I CA -0.442 61.008 61.300 0.251 0.000 1.310 710 I CB 0.630 38.700 38.000 0.116 0.000 1.404 710 I HN 0.351 nan 8.210 nan 0.000 0.496 711 F N 3.371 123.386 119.950 0.109 0.000 2.715 711 F HA 0.934 5.454 4.527 -0.012 0.000 0.318 711 F C 0.165 176.004 175.800 0.067 0.000 1.141 711 F CA -0.577 57.478 58.000 0.092 0.000 0.950 711 F CB 0.753 39.822 39.000 0.115 0.000 1.374 711 F HN 0.846 nan 8.300 nan 0.000 0.477 712 G N 0.946 109.820 108.800 0.122 0.000 2.782 712 G HA2 -0.141 3.812 3.960 -0.011 0.000 0.228 712 G HA3 -0.141 3.812 3.960 -0.011 0.000 0.228 712 G C -0.779 174.092 174.900 -0.049 0.000 1.372 712 G CA -0.468 44.634 45.100 0.003 0.000 0.862 712 G HN 0.961 nan 8.290 nan 0.000 0.547 713 M N 0.568 120.147 119.600 -0.036 0.000 2.248 713 M HA 0.303 4.777 4.480 -0.011 0.000 0.337 713 M C 1.129 177.392 176.300 -0.062 0.000 1.121 713 M CA 0.058 55.344 55.300 -0.023 0.000 1.155 713 M CB 0.420 33.014 32.600 -0.010 0.000 1.514 713 M HN 0.548 nan 8.290 nan 0.000 0.452 714 R N 1.242 121.720 120.500 -0.037 0.000 2.608 714 R HA 0.341 4.674 4.340 -0.011 0.000 0.255 714 R C 1.106 177.386 176.300 -0.034 0.000 1.086 714 R CA -0.705 55.368 56.100 -0.045 0.000 1.125 714 R CB 0.014 30.295 30.300 -0.031 0.000 1.193 714 R HN 0.564 nan 8.270 nan 0.000 0.553 715 V N 1.397 121.291 119.914 -0.034 0.000 2.324 715 V HA -0.257 3.856 4.120 -0.011 0.000 0.250 715 V C 2.447 178.531 176.094 -0.017 0.000 1.060 715 V CA 2.215 64.499 62.300 -0.026 0.000 1.042 715 V CB -0.460 31.346 31.823 -0.027 0.000 0.650 715 V HN 0.733 nan 8.190 nan 0.000 0.450 716 E N 0.209 120.401 120.200 -0.014 0.000 2.058 716 E HA -0.290 4.053 4.350 -0.011 0.000 0.194 716 E C 1.873 178.477 176.600 0.006 0.000 0.997 716 E CA 1.897 58.294 56.400 -0.005 0.000 0.801 716 E CB -0.226 29.472 29.700 -0.003 0.000 0.746 716 E HN 0.673 nan 8.360 nan 0.000 0.450 717 D N 0.250 120.655 120.400 0.009 0.000 2.144 717 D HA -0.130 4.503 4.640 -0.011 0.000 0.199 717 D C 2.170 178.485 176.300 0.025 0.000 0.984 717 D CA 1.070 55.084 54.000 0.025 0.000 0.834 717 D CB -0.027 40.791 40.800 0.030 0.000 0.955 717 D HN 0.151 nan 8.370 nan 0.000 0.465 718 V N 1.967 121.884 119.914 0.005 0.000 2.295 718 V HA -0.215 3.899 4.120 -0.011 0.000 0.246 718 V C 2.015 178.111 176.094 0.002 0.000 1.049 718 V CA 1.727 64.023 62.300 -0.007 0.000 1.024 718 V CB -0.403 31.407 31.823 -0.022 0.000 0.648 718 V HN 0.034 nan 8.190 nan 0.000 0.447 719 D N -0.345 120.057 120.400 0.003 0.000 2.117 719 D HA -0.147 4.487 4.640 -0.011 0.000 0.197 719 D C 2.362 178.675 176.300 0.021 0.000 0.987 719 D CA 1.141 55.145 54.000 0.006 0.000 0.829 719 D CB -0.246 40.554 40.800 -0.001 0.000 0.961 719 D HN 0.302 nan 8.370 nan 0.000 0.460 720 R N 0.193 120.709 120.500 0.028 0.000 2.083 720 R HA -0.054 4.279 4.340 -0.011 0.000 0.237 720 R C 2.483 178.818 176.300 0.058 0.000 1.137 720 R CA 0.667 56.791 56.100 0.039 0.000 0.951 720 R CB -0.387 29.939 30.300 0.043 0.000 0.851 720 R HN 0.178 nan 8.270 nan 0.000 0.434 721 L N 0.494 121.760 121.223 0.072 0.000 2.083 721 L HA -0.224 4.109 4.340 -0.011 0.000 0.209 721 L C 1.495 178.430 176.870 0.108 0.000 1.083 721 L CA 1.416 56.324 54.840 0.114 0.000 0.752 721 L CB -0.305 41.835 42.059 0.135 0.000 0.899 721 L HN 0.292 nan 8.230 nan 0.000 0.433 722 D N -0.905 119.535 120.400 0.066 0.000 2.178 722 D HA -0.159 4.474 4.640 -0.011 0.000 0.202 722 D C 2.284 178.616 176.300 0.053 0.000 0.974 722 D CA 0.755 54.789 54.000 0.056 0.000 0.841 722 D CB 0.073 40.886 40.800 0.022 0.000 0.953 722 D HN 0.364 nan 8.370 nan 0.000 0.478 723 Q N 0.574 120.401 119.800 0.045 0.000 2.020 723 Q HA -0.116 4.218 4.340 -0.011 0.000 0.202 723 Q C 2.286 178.314 176.000 0.046 0.000 0.982 723 Q CA 0.871 56.696 55.803 0.038 0.000 0.838 723 Q CB -0.460 28.297 28.738 0.032 0.000 0.899 723 Q HN 0.305 nan 8.270 nan 0.000 0.423 724 R N 0.150 120.685 120.500 0.058 0.000 2.080 724 R HA -0.074 4.259 4.340 -0.011 0.000 0.236 724 R C 0.240 176.582 176.300 0.070 0.000 1.137 724 R CA 1.308 57.445 56.100 0.063 0.000 0.943 724 R CB -0.182 30.165 30.300 0.078 0.000 0.846 724 R HN 0.428 nan 8.270 nan 0.000 0.431 725 G N -0.488 108.371 108.800 0.097 0.000 3.363 725 G HA2 -0.214 3.739 3.960 -0.011 0.000 0.685 725 G HA3 -0.214 3.739 3.960 -0.011 0.000 0.685 725 G C -1.374 173.626 174.900 0.165 0.000 1.199 725 G CA -0.499 44.666 45.100 0.109 0.000 0.946 725 G HN 0.302 nan 8.290 nan 0.000 0.558 726 Y N 3.853 124.191 120.300 0.063 0.000 2.436 726 Y HA 0.560 5.103 4.550 -0.011 0.000 0.336 726 Y C 0.333 176.295 175.900 0.103 0.000 1.049 726 Y CA -0.838 57.320 58.100 0.097 0.000 1.294 726 Y CB 0.916 39.416 38.460 0.067 0.000 1.179 726 Y HN 0.561 nan 8.280 nan 0.000 0.520 727 N N 5.167 123.644 118.700 -0.372 0.000 2.569 727 N HA 0.292 5.026 4.740 -0.011 0.000 0.254 727 N C 0.043 175.298 175.510 -0.424 0.000 1.004 727 N CA 0.284 53.125 53.050 -0.348 0.000 0.904 727 N CB 1.607 40.018 38.487 -0.128 0.000 1.165 727 N HN 0.873 nan 8.380 nan 0.000 0.513 728 A N 3.071 125.567 122.820 -0.540 0.000 2.015 728 A HA -0.192 4.121 4.320 -0.011 0.000 0.219 728 A C 1.932 179.647 177.584 0.218 0.000 1.163 728 A CA 1.285 53.271 52.037 -0.085 0.000 0.646 728 A CB -0.292 18.623 19.000 -0.142 0.000 0.806 728 A HN 0.757 nan 8.150 nan 0.000 0.448 729 Q N 0.268 120.087 119.800 0.031 0.000 2.112 729 Q HA -0.239 4.094 4.340 -0.011 0.000 0.206 729 Q C 1.884 177.944 176.000 0.100 0.000 0.987 729 Q CA 2.299 58.135 55.803 0.054 0.000 0.858 729 Q CB -0.345 28.384 28.738 -0.016 0.000 0.905 729 Q HN 0.758 nan 8.270 nan 0.000 0.420 730 E N -1.340 118.854 120.200 -0.010 0.000 2.070 730 E HA -0.244 4.099 4.350 -0.011 0.000 0.197 730 E C 1.675 178.183 176.600 -0.154 0.000 1.004 730 E CA 1.605 57.923 56.400 -0.138 0.000 0.805 730 E CB -0.204 29.304 29.700 -0.319 0.000 0.744 730 E HN 0.552 nan 8.360 nan 0.000 0.451 731 Y N -1.146 119.208 120.300 0.089 0.000 2.242 731 Y HA -0.221 4.322 4.550 -0.011 0.000 0.291 731 Y C 2.167 178.037 175.900 -0.050 0.000 1.137 731 Y CA 1.520 59.655 58.100 0.060 0.000 1.181 731 Y CB -0.683 37.872 38.460 0.158 0.000 0.989 731 Y HN 0.257 nan 8.280 nan 0.000 0.527 732 Y N 1.162 121.457 120.300 -0.008 0.000 2.181 732 Y HA -0.253 4.290 4.550 -0.011 0.000 0.288 732 Y C 1.905 177.750 175.900 -0.092 0.000 1.146 732 Y CA 1.822 59.839 58.100 -0.138 0.000 1.164 732 Y CB -0.353 38.073 38.460 -0.056 0.000 0.982 732 Y HN 0.067 nan 8.280 nan 0.000 0.515 733 D N -0.162 120.311 120.400 0.122 0.000 2.144 733 D HA -0.111 4.522 4.640 -0.011 0.000 0.200 733 D C 1.803 178.070 176.300 -0.055 0.000 0.978 733 D CA 1.239 55.262 54.000 0.038 0.000 0.833 733 D CB -0.108 40.731 40.800 0.065 0.000 0.961 733 D HN 0.506 nan 8.370 nan 0.000 0.470 734 R N -0.013 120.454 120.500 -0.056 0.000 2.334 734 R HA 0.250 4.583 4.340 -0.011 0.000 0.216 734 R C 0.378 176.650 176.300 -0.047 0.000 0.905 734 R CA 0.067 56.138 56.100 -0.049 0.000 1.064 734 R CB 0.820 31.095 30.300 -0.042 0.000 1.046 734 R HN 0.151 nan 8.270 nan 0.000 0.508 735 I N 2.343 122.859 120.570 -0.090 0.000 2.437 735 I HA 0.219 4.383 4.170 -0.011 0.000 0.279 735 I C -1.899 174.108 176.117 -0.183 0.000 1.028 735 I CA -2.443 58.805 61.300 -0.086 0.000 1.142 735 I CB 2.394 40.364 38.000 -0.051 0.000 1.266 735 I HN -0.262 nan 8.210 nan 0.000 0.461 736 P HA -0.149 nan 4.420 nan 0.000 0.215 736 P C 1.196 178.395 177.300 -0.168 0.000 1.153 736 P CA 1.315 64.316 63.100 -0.164 0.000 0.853 736 P CB 0.299 31.938 31.700 -0.101 0.000 0.788 737 E N -0.865 119.277 120.200 -0.098 0.000 2.118 737 E HA -0.183 4.161 4.350 -0.011 0.000 0.195 737 E C 1.877 178.385 176.600 -0.153 0.000 0.992 737 E CA 0.851 57.213 56.400 -0.063 0.000 0.804 737 E CB -0.626 29.108 29.700 0.058 0.000 0.741 737 E HN 0.119 nan 8.360 nan 0.000 0.458 738 L N 1.285 122.326 121.223 -0.304 0.000 2.072 738 L HA -0.123 4.210 4.340 -0.011 0.000 0.205 738 L C 2.369 178.952 176.870 -0.478 0.000 1.079 738 L CA 1.642 56.129 54.840 -0.588 0.000 0.752 738 L CB -0.385 41.167 42.059 -0.846 0.000 0.906 738 L HN -0.088 nan 8.230 nan 0.000 0.436 739 R N -0.730 119.458 120.500 -0.520 0.000 2.083 739 R HA -0.242 4.091 4.340 -0.011 0.000 0.237 739 R C 2.395 178.510 176.300 -0.309 0.000 1.137 739 R CA 1.982 57.680 56.100 -0.670 0.000 0.951 739 R CB -0.397 29.438 30.300 -0.775 0.000 0.851 739 R HN 0.638 nan 8.270 nan 0.000 0.434 740 Q N 0.413 120.078 119.800 -0.225 0.000 2.135 740 Q HA -0.184 4.150 4.340 -0.011 0.000 0.204 740 Q C 2.003 177.952 176.000 -0.085 0.000 0.981 740 Q CA 1.839 57.561 55.803 -0.135 0.000 0.856 740 Q CB -0.085 28.579 28.738 -0.124 0.000 0.902 740 Q HN 0.494 nan 8.270 nan 0.000 0.425 741 I N -0.024 120.497 120.570 -0.083 0.000 2.286 741 I HA -0.245 3.918 4.170 -0.011 0.000 0.245 741 I C 2.021 178.171 176.117 0.054 0.000 1.104 741 I CA 0.642 61.941 61.300 -0.002 0.000 1.397 741 I CB -0.089 37.895 38.000 -0.027 0.000 1.072 741 I HN 0.214 nan 8.210 nan 0.000 0.417 742 I N 0.680 121.273 120.570 0.037 0.000 2.394 742 I HA -0.244 3.919 4.170 -0.011 0.000 0.251 742 I C 2.335 178.554 176.117 0.169 0.000 1.136 742 I CA 1.516 62.904 61.300 0.146 0.000 1.425 742 I CB -0.296 37.864 38.000 0.266 0.000 1.079 742 I HN 0.182 nan 8.210 nan 0.000 0.425 743 E N -0.343 119.936 120.200 0.132 0.000 2.285 743 E HA -0.199 4.144 4.350 -0.011 0.000 0.194 743 E C 2.050 178.718 176.600 0.113 0.000 0.997 743 E CA 0.529 57.003 56.400 0.122 0.000 0.845 743 E CB -0.051 29.699 29.700 0.083 0.000 0.782 743 E HN 0.582 nan 8.360 nan 0.000 0.491 744 Q N 0.516 120.378 119.800 0.103 0.000 2.083 744 Q HA -0.055 4.278 4.340 -0.011 0.000 0.198 744 Q C 2.267 178.457 176.000 0.316 0.000 0.969 744 Q CA 0.813 56.695 55.803 0.132 0.000 0.838 744 Q CB 0.135 28.906 28.738 0.056 0.000 0.900 744 Q HN 0.269 nan 8.270 nan 0.000 0.436 745 L N -0.383 121.037 121.223 0.328 0.000 2.093 745 L HA -0.158 4.175 4.340 -0.011 0.000 0.208 745 L C 2.404 179.460 176.870 0.311 0.000 1.085 745 L CA 0.797 55.847 54.840 0.351 0.000 0.755 745 L CB -0.295 41.888 42.059 0.206 0.000 0.904 745 L HN 0.138 nan 8.230 nan 0.000 0.435 746 S N -0.408 115.430 115.700 0.229 0.000 2.383 746 S HA -0.124 4.339 4.470 -0.011 0.000 0.227 746 S C 2.005 176.705 174.600 0.168 0.000 1.026 746 S CA 1.488 59.800 58.200 0.186 0.000 0.981 746 S CB -0.080 63.210 63.200 0.151 0.000 0.818 746 S HN 0.591 nan 8.310 nan 0.000 0.472 747 S N -0.107 115.695 115.700 0.170 0.000 2.575 747 S HA 0.388 4.852 4.470 -0.011 0.000 0.215 747 S C 1.298 175.990 174.600 0.152 0.000 0.966 747 S CA 0.624 58.909 58.200 0.141 0.000 0.911 747 S CB 0.277 63.549 63.200 0.120 0.000 0.780 747 S HN 0.707 nan 8.310 nan 0.000 0.514 748 G N 0.904 109.826 108.800 0.203 0.000 2.141 748 G HA2 -0.309 3.644 3.960 -0.011 0.000 0.231 748 G HA3 -0.309 3.644 3.960 -0.011 0.000 0.231 748 G C 0.225 175.217 174.900 0.153 0.000 0.984 748 G CA 0.132 45.340 45.100 0.180 0.000 0.660 748 G HN 0.564 nan 8.290 nan 0.000 0.525 749 F N 0.357 120.317 119.950 0.017 0.000 2.202 749 F HA 0.182 4.702 4.527 -0.011 0.000 0.301 749 F C 1.799 177.424 175.800 -0.292 0.000 1.082 749 F CA 1.942 59.838 58.000 -0.174 0.000 1.313 749 F CB -0.077 38.742 39.000 -0.301 0.000 1.024 749 F HN 0.161 nan 8.300 nan 0.000 0.495 750 F N -0.255 119.770 119.950 0.124 0.000 2.695 750 F HA 0.220 4.740 4.527 -0.011 0.000 0.303 750 F C 0.563 176.440 175.800 0.128 0.000 1.091 750 F CA 0.250 58.278 58.000 0.046 0.000 1.300 750 F CB -0.074 38.989 39.000 0.105 0.000 1.071 750 F HN -0.025 nan 8.300 nan 0.000 0.578 751 S N -1.731 114.107 115.700 0.229 0.000 2.564 751 S HA 0.304 4.767 4.470 -0.011 0.000 0.141 751 S C -2.495 172.129 174.600 0.040 0.000 1.474 751 S CA -1.021 57.254 58.200 0.125 0.000 1.236 751 S CB 0.990 64.237 63.200 0.078 0.000 1.481 751 S HN -0.191 nan 8.310 nan 0.000 0.397 752 P HA -0.114 nan 4.420 nan 0.000 0.214 752 P C 1.234 178.529 177.300 -0.007 0.000 1.163 752 P CA 1.405 64.492 63.100 -0.022 0.000 0.883 752 P CB 0.085 31.751 31.700 -0.057 0.000 0.788 753 K N -0.876 119.518 120.400 -0.009 0.000 2.148 753 K HA -0.091 4.222 4.320 -0.011 0.000 0.204 753 K C 0.638 177.237 176.600 -0.002 0.000 1.050 753 K CA 1.039 57.324 56.287 -0.004 0.000 0.942 753 K CB -0.227 32.272 32.500 -0.002 0.000 0.724 753 K HN 0.343 nan 8.250 nan 0.000 0.446 754 Q N -0.251 119.545 119.800 -0.007 0.000 2.798 754 Q HA 0.156 4.489 4.340 -0.011 0.000 0.250 754 Q C -2.341 173.650 176.000 -0.016 0.000 1.006 754 Q CA -1.612 54.182 55.803 -0.015 0.000 0.759 754 Q CB 1.617 30.337 28.738 -0.030 0.000 1.201 754 Q HN -0.084 nan 8.270 nan 0.000 0.486 755 P HA -0.219 nan 4.420 nan 0.000 0.219 755 P C 0.566 177.901 177.300 0.058 0.000 1.146 755 P CA 1.360 64.489 63.100 0.047 0.000 0.808 755 P CB 0.237 31.965 31.700 0.048 0.000 0.779 756 D N -1.063 119.354 120.400 0.029 0.000 2.368 756 D HA -0.008 4.626 4.640 -0.011 0.000 0.218 756 D C 1.593 177.893 176.300 -0.000 0.000 1.112 756 D CA -0.241 53.783 54.000 0.041 0.000 0.834 756 D CB -0.416 40.408 40.800 0.041 0.000 0.953 756 D HN 0.022 nan 8.370 nan 0.000 0.505 757 L N 0.178 121.338 121.223 -0.106 0.000 2.043 757 L HA -0.095 4.239 4.340 -0.011 0.000 0.212 757 L C 0.809 177.471 176.870 -0.346 0.000 1.075 757 L CA 1.634 56.299 54.840 -0.293 0.000 0.752 757 L CB -0.601 41.108 42.059 -0.583 0.000 0.891 757 L HN -0.079 nan 8.230 nan 0.000 0.432 758 F N -0.168 119.840 119.950 0.097 0.000 2.916 758 F HA 0.213 4.733 4.527 -0.011 0.000 0.294 758 F C 1.679 177.534 175.800 0.092 0.000 1.189 758 F CA -0.174 57.874 58.000 0.081 0.000 1.369 758 F CB -0.734 38.302 39.000 0.060 0.000 0.961 758 F HN 0.161 nan 8.300 nan 0.000 0.508 759 K N -1.094 119.427 120.400 0.200 0.000 2.155 759 K HA -0.085 4.228 4.320 -0.011 0.000 0.203 759 K C 0.978 177.686 176.600 0.179 0.000 1.052 759 K CA 1.517 57.907 56.287 0.171 0.000 0.948 759 K CB -0.097 32.479 32.500 0.126 0.000 0.728 759 K HN 0.006 nan 8.250 nan 0.000 0.448 760 D N 1.267 121.787 120.400 0.199 0.000 2.144 760 D HA -0.051 4.582 4.640 -0.011 0.000 0.200 760 D C 1.962 178.380 176.300 0.196 0.000 0.978 760 D CA 0.979 55.108 54.000 0.216 0.000 0.833 760 D CB -0.034 40.930 40.800 0.273 0.000 0.961 760 D HN 0.287 nan 8.370 nan 0.000 0.470 761 I N 0.335 121.018 120.570 0.188 0.000 2.233 761 I HA -0.197 3.966 4.170 -0.011 0.000 0.243 761 I C 2.427 178.604 176.117 0.099 0.000 1.093 761 I CA 0.528 61.906 61.300 0.130 0.000 1.380 761 I CB -0.130 37.936 38.000 0.110 0.000 1.067 761 I HN -0.141 nan 8.210 nan 0.000 0.413 762 V N 0.995 120.984 119.914 0.125 0.000 2.343 762 V HA -0.324 3.790 4.120 -0.011 0.000 0.247 762 V C 2.151 178.263 176.094 0.031 0.000 1.051 762 V CA 2.485 64.844 62.300 0.097 0.000 1.036 762 V CB -1.024 30.877 31.823 0.130 0.000 0.654 762 V HN 0.498 nan 8.190 nan 0.000 0.451 763 N N -0.478 118.270 118.700 0.081 0.000 2.069 763 N HA -0.241 4.492 4.740 -0.011 0.000 0.191 763 N C 2.001 177.478 175.510 -0.056 0.000 1.031 763 N CA 1.835 54.941 53.050 0.095 0.000 0.852 763 N CB -0.171 38.437 38.487 0.203 0.000 1.018 763 N HN 0.364 nan 8.380 nan 0.000 0.423 764 M N 0.223 119.852 119.600 0.047 0.000 2.067 764 M HA -0.153 4.320 4.480 -0.011 0.000 0.260 764 M C 1.650 177.875 176.300 -0.124 0.000 1.069 764 M CA 1.403 56.740 55.300 0.062 0.000 1.117 764 M CB -0.525 32.188 32.600 0.189 0.000 1.334 764 M HN 0.248 nan 8.290 nan 0.000 0.407 765 L N 0.823 121.960 121.223 -0.144 0.000 2.081 765 L HA -0.245 4.089 4.340 -0.011 0.000 0.212 765 L C 2.454 179.026 176.870 -0.497 0.000 1.080 765 L CA 1.752 56.387 54.840 -0.341 0.000 0.754 765 L CB -1.109 40.787 42.059 -0.272 0.000 0.893 765 L HN 0.403 nan 8.230 nan 0.000 0.433 766 M N -2.064 117.285 119.600 -0.419 0.000 2.287 766 M HA -0.052 4.422 4.480 -0.011 0.000 0.266 766 M C 1.917 177.759 176.300 -0.763 0.000 1.079 766 M CA 1.341 56.292 55.300 -0.581 0.000 1.146 766 M CB -0.770 31.365 32.600 -0.776 0.000 1.374 766 M HN 0.332 nan 8.290 nan 0.000 0.435 767 H N -1.910 116.952 119.070 -0.347 0.000 2.927 767 H HA 0.212 4.761 4.556 -0.011 0.000 0.255 767 H C 0.155 175.243 175.328 -0.400 0.000 0.974 767 H CA 0.611 56.402 56.048 -0.429 0.000 1.199 767 H CB 0.198 29.645 29.762 -0.526 0.000 1.447 767 H HN 0.551 nan 8.280 nan 0.000 0.467 768 H N -0.277 118.850 119.070 0.096 0.000 2.779 768 H HA 0.194 4.744 4.556 -0.011 0.000 0.230 768 H C -0.771 174.577 175.328 0.034 0.000 1.365 768 H CA -0.475 55.617 56.048 0.073 0.000 1.086 768 H CB 0.523 30.333 29.762 0.079 0.000 2.038 768 H HN -0.070 nan 8.280 nan 0.000 0.558 769 D N 1.484 121.929 120.400 0.075 0.000 2.374 769 D HA 0.089 4.722 4.640 -0.011 0.000 0.240 769 D C 0.953 177.201 176.300 -0.087 0.000 1.229 769 D CA -0.141 53.871 54.000 0.020 0.000 0.895 769 D CB 0.622 41.420 40.800 -0.003 0.000 1.046 769 D HN 0.391 nan 8.370 nan 0.000 0.498 770 R N 2.323 122.664 120.500 -0.266 0.000 2.235 770 R HA -0.019 4.314 4.340 -0.011 0.000 0.213 770 R C 0.561 176.332 176.300 -0.880 0.000 1.059 770 R CA 0.766 56.490 56.100 -0.627 0.000 0.997 770 R CB 0.194 29.908 30.300 -0.977 0.000 0.884 770 R HN 0.394 nan 8.270 nan 0.000 0.462 771 F N 1.498 121.409 119.950 -0.067 0.000 2.708 771 F HA 0.206 4.727 4.527 -0.011 0.000 0.300 771 F C 0.004 175.677 175.800 -0.212 0.000 1.118 771 F CA -0.854 57.087 58.000 -0.098 0.000 1.307 771 F CB 0.113 39.111 39.000 -0.004 0.000 0.986 771 F HN -0.183 nan 8.300 nan 0.000 0.522 772 K N -0.806 119.381 120.400 -0.356 0.000 4.166 772 K HA -0.210 4.103 4.320 -0.011 0.000 0.276 772 K C 0.744 177.200 176.600 -0.241 0.000 0.808 772 K CA 0.252 56.146 56.287 -0.656 0.000 0.717 772 K CB -1.930 29.959 32.500 -1.019 0.000 1.774 772 K HN 0.297 nan 8.250 nan 0.000 0.427 773 V N 0.685 120.537 119.914 -0.105 0.000 2.255 773 V HA -0.271 3.842 4.120 -0.011 0.000 0.247 773 V C 2.128 178.334 176.094 0.187 0.000 1.051 773 V CA 2.090 64.407 62.300 0.029 0.000 1.018 773 V CB -0.580 31.254 31.823 0.019 0.000 0.641 773 V HN 0.518 nan 8.190 nan 0.000 0.445 774 F N 0.844 120.801 119.950 0.012 0.000 2.202 774 F HA -0.139 4.381 4.527 -0.011 0.000 0.301 774 F C 2.444 178.032 175.800 -0.353 0.000 1.082 774 F CA 0.892 58.846 58.000 -0.078 0.000 1.313 774 F CB -1.566 37.416 39.000 -0.030 0.000 1.024 774 F HN 0.172 nan 8.300 nan 0.000 0.495 775 A N -0.643 122.006 122.820 -0.285 0.000 2.067 775 A HA -0.147 4.166 4.320 -0.011 0.000 0.219 775 A C 1.693 179.254 177.584 -0.038 0.000 1.158 775 A CA 1.832 53.606 52.037 -0.438 0.000 0.661 775 A CB -0.481 18.389 19.000 -0.216 0.000 0.801 775 A HN 0.212 nan 8.150 nan 0.000 0.452 776 D N -2.874 117.574 120.400 0.080 0.000 2.398 776 D HA 0.090 4.724 4.640 -0.011 0.000 0.210 776 D C 1.172 177.642 176.300 0.282 0.000 1.094 776 D CA -0.050 54.076 54.000 0.211 0.000 0.839 776 D CB -0.134 40.804 40.800 0.229 0.000 0.963 776 D HN 0.533 nan 8.370 nan 0.000 0.506 777 Y N 2.243 122.628 120.300 0.141 0.000 2.053 777 Y HA -0.250 4.294 4.550 -0.011 0.000 0.277 777 Y C 2.055 178.037 175.900 0.137 0.000 1.159 777 Y CA 1.965 60.160 58.100 0.159 0.000 1.125 777 Y CB 0.101 38.632 38.460 0.119 0.000 0.969 777 Y HN -0.094 nan 8.280 nan 0.000 0.492 778 E N -0.124 120.188 120.200 0.187 0.000 2.058 778 E HA -0.275 4.068 4.350 -0.011 0.000 0.194 778 E C 2.208 178.795 176.600 -0.023 0.000 0.997 778 E CA 1.673 58.102 56.400 0.048 0.000 0.801 778 E CB -0.225 29.587 29.700 0.187 0.000 0.746 778 E HN 0.640 nan 8.360 nan 0.000 0.450 779 E N -0.424 119.831 120.200 0.091 0.000 2.204 779 E HA -0.172 4.171 4.350 -0.011 0.000 0.194 779 E C 1.844 178.442 176.600 -0.003 0.000 0.989 779 E CA 0.431 56.904 56.400 0.120 0.000 0.824 779 E CB -0.013 29.850 29.700 0.271 0.000 0.756 779 E HN 0.238 nan 8.360 nan 0.000 0.477 780 Y N 0.753 120.855 120.300 -0.330 0.000 2.163 780 Y HA -0.191 4.353 4.550 -0.011 0.000 0.288 780 Y C 2.155 177.650 175.900 -0.675 0.000 1.136 780 Y CA 1.482 59.045 58.100 -0.895 0.000 1.147 780 Y CB -0.553 37.431 38.460 -0.794 0.000 0.987 780 Y HN -0.030 nan 8.280 nan 0.000 0.509 781 V N -0.630 118.900 119.914 -0.640 0.000 2.548 781 V HA -0.121 3.993 4.120 -0.011 0.000 0.249 781 V C 2.197 178.059 176.094 -0.385 0.000 1.055 781 V CA 2.118 64.062 62.300 -0.594 0.000 1.065 781 V CB -0.605 30.947 31.823 -0.453 0.000 0.681 781 V HN 0.192 nan 8.190 nan 0.000 0.462 782 K N 0.045 120.285 120.400 -0.268 0.000 2.026 782 K HA -0.108 4.206 4.320 -0.011 0.000 0.208 782 K C 2.275 178.788 176.600 -0.145 0.000 1.048 782 K CA 2.022 58.223 56.287 -0.144 0.000 0.929 782 K CB -1.304 31.160 32.500 -0.060 0.000 0.713 782 K HN 0.666 nan 8.250 nan 0.000 0.439 783 C N 0.807 119.997 119.300 -0.184 0.000 2.440 783 C HA -0.060 4.394 4.460 -0.011 0.000 0.278 783 C C 2.382 177.209 174.990 -0.271 0.000 1.295 783 C CA 0.644 59.585 59.018 -0.128 0.000 1.738 783 C CB -0.685 27.012 27.740 -0.072 0.000 1.987 783 C HN 0.452 nan 8.230 nan 0.000 0.492 784 Q N 0.337 119.840 119.800 -0.496 0.000 2.224 784 Q HA -0.149 4.185 4.340 -0.011 0.000 0.203 784 Q C 1.939 177.754 176.000 -0.310 0.000 0.970 784 Q CA 1.430 56.897 55.803 -0.560 0.000 0.865 784 Q CB -0.310 27.854 28.738 -0.956 0.000 0.922 784 Q HN 0.756 nan 8.270 nan 0.000 0.445 785 E N 0.153 120.226 120.200 -0.211 0.000 2.150 785 E HA -0.106 4.237 4.350 -0.011 0.000 0.193 785 E C 2.012 178.574 176.600 -0.063 0.000 0.985 785 E CA 0.460 56.795 56.400 -0.110 0.000 0.814 785 E CB 0.099 29.753 29.700 -0.077 0.000 0.752 785 E HN 0.224 nan 8.360 nan 0.000 0.466 786 R N 0.345 120.814 120.500 -0.052 0.000 2.115 786 R HA -0.090 4.243 4.340 -0.011 0.000 0.230 786 R C 2.604 178.928 176.300 0.040 0.000 1.111 786 R CA 1.331 57.466 56.100 0.058 0.000 0.976 786 R CB -0.333 30.068 30.300 0.168 0.000 0.870 786 R HN 0.210 nan 8.270 nan 0.000 0.445 787 V N -1.882 117.872 119.914 -0.267 0.000 2.719 787 V HA -0.054 4.059 4.120 -0.011 0.000 0.252 787 V C 1.897 178.015 176.094 0.040 0.000 1.065 787 V CA 1.609 63.689 62.300 -0.367 0.000 1.086 787 V CB 0.183 31.539 31.823 -0.780 0.000 0.700 787 V HN 0.052 nan 8.190 nan 0.000 0.467 788 S N 0.926 116.595 115.700 -0.051 0.000 2.368 788 S HA 0.031 4.495 4.470 -0.011 0.000 0.224 788 S C 2.261 176.915 174.600 0.090 0.000 1.029 788 S CA 1.579 59.767 58.200 -0.020 0.000 0.988 788 S CB -0.532 62.631 63.200 -0.062 0.000 0.838 788 S HN 0.936 nan 8.310 nan 0.000 0.462 789 A N 1.231 124.112 122.820 0.101 0.000 1.902 789 A HA 0.015 4.328 4.320 -0.011 0.000 0.217 789 A C 2.058 179.757 177.584 0.191 0.000 1.181 789 A CA 1.030 53.145 52.037 0.132 0.000 0.623 789 A CB -0.630 18.439 19.000 0.114 0.000 0.818 789 A HN 0.470 nan 8.150 nan 0.000 0.443 790 L N -1.992 119.409 121.223 0.297 0.000 2.217 790 L HA -0.092 4.241 4.340 -0.011 0.000 0.211 790 L C 2.331 179.498 176.870 0.495 0.000 1.107 790 L CA 1.478 56.576 54.840 0.430 0.000 0.783 790 L CB -0.403 42.017 42.059 0.602 0.000 0.919 790 L HN 0.604 nan 8.230 nan 0.000 0.442 791 Y N 0.840 121.234 120.300 0.157 0.000 2.439 791 Y HA -0.211 4.333 4.550 -0.010 0.000 0.292 791 Y C 2.395 178.203 175.900 -0.154 0.000 1.130 791 Y CA 1.413 59.309 58.100 -0.341 0.000 1.254 791 Y CB 0.021 38.052 38.460 -0.714 0.000 1.000 791 Y HN 0.029 nan 8.280 nan 0.000 0.554 792 K N 0.078 120.505 120.400 0.045 0.000 2.442 792 K HA -0.107 4.206 4.320 -0.011 0.000 0.198 792 K C 0.302 176.883 176.600 -0.033 0.000 1.042 792 K CA 0.591 56.890 56.287 0.020 0.000 0.958 792 K CB -0.056 32.500 32.500 0.094 0.000 0.766 792 K HN 0.044 nan 8.250 nan 0.000 0.474 793 N N 0.341 119.038 118.700 -0.004 0.000 2.976 793 N HA 0.140 4.874 4.740 -0.011 0.000 0.255 793 N C -2.446 173.069 175.510 0.008 0.000 1.312 793 N CA -2.219 50.840 53.050 0.014 0.000 0.897 793 N CB 1.068 39.599 38.487 0.074 0.000 1.184 793 N HN -0.183 nan 8.380 nan 0.000 0.497 794 P HA -0.226 nan 4.420 nan 0.000 0.218 794 P C 1.384 178.697 177.300 0.021 0.000 1.154 794 P CA 1.303 64.333 63.100 -0.117 0.000 0.872 794 P CB 0.361 31.965 31.700 -0.161 0.000 0.790 795 R N -0.328 120.186 120.500 0.023 0.000 2.081 795 R HA -0.148 4.186 4.340 -0.011 0.000 0.235 795 R C 2.003 178.348 176.300 0.076 0.000 1.131 795 R CA 1.350 57.475 56.100 0.043 0.000 0.960 795 R CB -0.285 30.031 30.300 0.027 0.000 0.856 795 R HN 0.102 nan 8.270 nan 0.000 0.436 796 E N -0.176 120.081 120.200 0.095 0.000 2.112 796 E HA -0.206 4.138 4.350 -0.011 0.000 0.190 796 E C 1.574 178.259 176.600 0.141 0.000 0.979 796 E CA 0.587 57.048 56.400 0.101 0.000 0.814 796 E CB -0.431 29.329 29.700 0.099 0.000 0.762 796 E HN 0.499 nan 8.360 nan 0.000 0.460 797 W N 2.135 123.440 121.300 0.008 0.000 2.355 797 W HA -0.174 4.478 4.660 -0.012 0.000 0.309 797 W C 1.543 178.075 176.519 0.022 0.000 1.206 797 W CA 2.071 59.436 57.345 0.034 0.000 1.284 797 W CB -0.308 29.148 29.460 -0.007 0.000 1.145 797 W HN 0.036 nan 8.180 nan 0.000 0.502 798 T N 0.966 115.661 114.554 0.236 0.000 2.867 798 T HA -0.138 4.206 4.350 -0.011 0.000 0.268 798 T C 1.842 176.565 174.700 0.039 0.000 1.057 798 T CA 1.384 63.557 62.100 0.123 0.000 1.136 798 T CB -0.255 68.666 68.868 0.087 0.000 0.874 798 T HN 0.169 nan 8.240 nan 0.000 0.466 799 R N 0.416 120.942 120.500 0.043 0.000 2.092 799 R HA 0.135 4.468 4.340 -0.011 0.000 0.231 799 R C 2.458 178.755 176.300 -0.005 0.000 1.119 799 R CA 1.036 57.157 56.100 0.036 0.000 0.970 799 R CB -0.299 30.026 30.300 0.042 0.000 0.864 799 R HN 0.361 nan 8.270 nan 0.000 0.440 800 M N 0.436 119.998 119.600 -0.064 0.000 2.254 800 M HA -0.106 4.368 4.480 -0.011 0.000 0.265 800 M C 1.858 178.071 176.300 -0.145 0.000 1.066 800 M CA 1.176 56.397 55.300 -0.131 0.000 1.123 800 M CB 0.279 32.739 32.600 -0.234 0.000 1.388 800 M HN -0.032 nan 8.290 nan 0.000 0.425 801 V N 0.737 120.559 119.914 -0.154 0.000 2.343 801 V HA -0.286 3.827 4.120 -0.011 0.000 0.247 801 V C 2.145 178.226 176.094 -0.022 0.000 1.051 801 V CA 1.816 64.052 62.300 -0.106 0.000 1.036 801 V CB -0.519 31.274 31.823 -0.051 0.000 0.654 801 V HN 0.485 nan 8.190 nan 0.000 0.451 802 I N -0.552 120.027 120.570 0.015 0.000 2.361 802 I HA -0.244 3.920 4.170 -0.011 0.000 0.251 802 I C 2.640 178.805 176.117 0.079 0.000 1.133 802 I CA 1.344 62.695 61.300 0.085 0.000 1.413 802 I CB -0.277 37.819 38.000 0.161 0.000 1.073 802 I HN 0.167 nan 8.210 nan 0.000 0.424 803 R N 0.752 121.276 120.500 0.040 0.000 2.148 803 R HA -0.066 4.268 4.340 -0.011 0.000 0.227 803 R C 2.022 178.353 176.300 0.052 0.000 1.103 803 R CA 1.145 57.267 56.100 0.038 0.000 0.983 803 R CB -0.202 30.103 30.300 0.008 0.000 0.874 803 R HN 0.420 nan 8.270 nan 0.000 0.451 804 N N -0.329 118.394 118.700 0.039 0.000 2.173 804 N HA -0.055 4.678 4.740 -0.011 0.000 0.184 804 N C 1.753 177.319 175.510 0.094 0.000 1.025 804 N CA 1.263 54.357 53.050 0.073 0.000 0.852 804 N CB 0.037 38.535 38.487 0.019 0.000 0.998 804 N HN 0.138 nan 8.380 nan 0.000 0.427 805 I N 1.724 122.337 120.570 0.072 0.000 2.163 805 I HA -0.242 3.921 4.170 -0.011 0.000 0.243 805 I C 2.345 178.511 176.117 0.082 0.000 1.085 805 I CA 1.026 62.373 61.300 0.078 0.000 1.347 805 I CB -0.280 37.757 38.000 0.063 0.000 1.044 805 I HN 0.080 nan 8.210 nan 0.000 0.408 806 A N -1.191 121.679 122.820 0.082 0.000 2.172 806 A HA -0.163 4.151 4.320 -0.011 0.000 0.216 806 A C 2.174 179.798 177.584 0.066 0.000 1.154 806 A CA 1.986 54.064 52.037 0.069 0.000 0.701 806 A CB -0.549 18.497 19.000 0.077 0.000 0.789 806 A HN 0.395 nan 8.150 nan 0.000 0.465 807 T N -1.182 113.425 114.554 0.089 0.000 3.084 807 T HA 0.121 4.464 4.350 -0.011 0.000 0.270 807 T C 1.531 176.323 174.700 0.154 0.000 1.008 807 T CA 0.711 62.870 62.100 0.097 0.000 0.900 807 T CB -0.349 68.576 68.868 0.095 0.000 1.084 807 T HN 0.610 nan 8.240 nan 0.000 0.538 808 S N -0.700 115.110 115.700 0.182 0.000 2.558 808 S HA 0.172 4.635 4.470 -0.011 0.000 0.217 808 S C 2.304 177.042 174.600 0.229 0.000 0.975 808 S CA 0.632 59.014 58.200 0.303 0.000 0.912 808 S CB -0.369 62.982 63.200 0.252 0.000 0.776 808 S HN 0.431 nan 8.310 nan 0.000 0.526 809 G N 2.694 111.556 108.800 0.104 0.000 2.545 809 G HA2 -0.324 3.629 3.960 -0.011 0.000 0.222 809 G HA3 -0.324 3.629 3.960 -0.011 0.000 0.222 809 G C 1.346 176.221 174.900 -0.041 0.000 1.126 809 G CA 1.121 46.251 45.100 0.050 0.000 0.754 809 G HN 0.587 nan 8.290 nan 0.000 0.583 810 K N -0.209 120.064 120.400 -0.213 0.000 2.360 810 K HA -0.029 4.285 4.320 -0.011 0.000 0.201 810 K C 0.895 177.174 176.600 -0.536 0.000 1.046 810 K CA 0.527 56.545 56.287 -0.448 0.000 0.945 810 K CB -0.210 31.861 32.500 -0.714 0.000 0.750 810 K HN 0.376 nan 8.250 nan 0.000 0.464 811 F N 0.921 120.907 119.950 0.060 0.000 2.663 811 F HA 0.155 4.675 4.527 -0.012 0.000 0.299 811 F C 0.768 176.619 175.800 0.085 0.000 1.143 811 F CA -0.360 57.682 58.000 0.070 0.000 1.387 811 F CB 0.146 39.184 39.000 0.063 0.000 1.019 811 F HN -0.150 nan 8.300 nan 0.000 0.523 812 S N -0.027 115.765 115.700 0.152 0.000 2.562 812 S HA 0.175 4.639 4.470 -0.011 0.000 0.275 812 S C 1.335 176.025 174.600 0.151 0.000 1.281 812 S CA -0.221 58.066 58.200 0.145 0.000 1.045 812 S CB 0.942 64.197 63.200 0.093 0.000 0.962 812 S HN 0.292 nan 8.310 nan 0.000 0.503 813 S N 2.843 118.654 115.700 0.186 0.000 2.603 813 S HA -0.011 4.452 4.470 -0.011 0.000 0.229 813 S C 0.747 175.417 174.600 0.116 0.000 0.972 813 S CA 0.315 58.653 58.200 0.229 0.000 0.935 813 S CB -0.259 63.148 63.200 0.344 0.000 0.769 813 S HN 0.766 nan 8.310 nan 0.000 0.536 814 D N 1.901 122.348 120.400 0.080 0.000 2.162 814 D HA -0.021 4.612 4.640 -0.011 0.000 0.203 814 D C 2.099 178.412 176.300 0.022 0.000 0.967 814 D CA 0.590 54.613 54.000 0.039 0.000 0.840 814 D CB -0.250 40.570 40.800 0.033 0.000 0.972 814 D HN 0.276 nan 8.370 nan 0.000 0.482 815 R N 0.804 121.320 120.500 0.027 0.000 2.075 815 R HA -0.067 4.266 4.340 -0.011 0.000 0.232 815 R C 1.779 178.084 176.300 0.008 0.000 1.126 815 R CA 1.217 57.319 56.100 0.004 0.000 0.963 815 R CB -0.579 29.710 30.300 -0.017 0.000 0.858 815 R HN 0.102 nan 8.270 nan 0.000 0.435 816 T N 2.040 116.626 114.554 0.052 0.000 2.708 816 T HA -0.095 4.249 4.350 -0.011 0.000 0.266 816 T C 1.902 176.626 174.700 0.041 0.000 1.037 816 T CA 1.185 63.343 62.100 0.097 0.000 1.146 816 T CB -0.093 68.918 68.868 0.239 0.000 0.865 816 T HN 0.086 nan 8.240 nan 0.000 0.435 817 I N 1.756 122.261 120.570 -0.108 0.000 2.315 817 I HA -0.063 4.100 4.170 -0.011 0.000 0.248 817 I C 2.864 178.944 176.117 -0.062 0.000 1.117 817 I CA 0.768 61.956 61.300 -0.186 0.000 1.404 817 I CB -1.634 36.267 38.000 -0.165 0.000 1.071 817 I HN 0.189 nan 8.210 nan 0.000 0.419 818 A N -0.008 122.796 122.820 -0.028 0.000 1.933 818 A HA -0.219 4.095 4.320 -0.011 0.000 0.218 818 A C 2.262 179.815 177.584 -0.051 0.000 1.175 818 A CA 1.298 53.326 52.037 -0.016 0.000 0.628 818 A CB -0.499 18.497 19.000 -0.008 0.000 0.814 818 A HN 0.485 nan 8.150 nan 0.000 0.444 819 Q N -1.885 117.868 119.800 -0.078 0.000 2.083 819 Q HA -0.150 4.183 4.340 -0.011 0.000 0.198 819 Q C 1.906 177.755 176.000 -0.252 0.000 0.969 819 Q CA 1.549 57.268 55.803 -0.141 0.000 0.838 819 Q CB -0.272 28.375 28.738 -0.153 0.000 0.900 819 Q HN 0.813 nan 8.270 nan 0.000 0.436 820 Y N 0.473 120.496 120.300 -0.461 0.000 2.128 820 Y HA -0.288 4.255 4.550 -0.011 0.000 0.284 820 Y C 2.429 177.783 175.900 -0.909 0.000 1.154 820 Y CA 1.338 58.922 58.100 -0.859 0.000 1.149 820 Y CB -0.416 37.226 38.460 -1.363 0.000 0.976 820 Y HN 0.161 nan 8.280 nan 0.000 0.505 821 A N 0.244 122.856 122.820 -0.347 0.000 1.883 821 A HA -0.227 4.086 4.320 -0.011 0.000 0.217 821 A C 2.257 179.861 177.584 0.032 0.000 1.186 821 A CA 2.071 54.138 52.037 0.051 0.000 0.624 821 A CB -0.540 18.562 19.000 0.171 0.000 0.822 821 A HN 0.428 nan 8.150 nan 0.000 0.444 822 R N -0.642 119.837 120.500 -0.034 0.000 2.062 822 R HA -0.029 4.305 4.340 -0.011 0.000 0.226 822 R C 1.884 178.162 176.300 -0.036 0.000 1.125 822 R CA 1.453 57.543 56.100 -0.017 0.000 0.966 822 R CB -0.261 30.024 30.300 -0.024 0.000 0.861 822 R HN 0.646 nan 8.270 nan 0.000 0.433 823 E N -0.243 119.897 120.200 -0.100 0.000 2.442 823 E HA 0.057 4.400 4.350 -0.011 0.000 0.195 823 E C 1.402 177.949 176.600 -0.087 0.000 1.030 823 E CA 0.543 56.886 56.400 -0.095 0.000 0.869 823 E CB 0.449 30.068 29.700 -0.135 0.000 0.857 823 E HN 0.360 nan 8.360 nan 0.000 0.505 824 I N -1.472 119.015 120.570 -0.138 0.000 3.878 824 I HA 0.022 4.185 4.170 -0.011 0.000 0.273 824 I C 1.318 177.551 176.117 0.193 0.000 1.165 824 I CA -0.113 61.155 61.300 -0.054 0.000 1.360 824 I CB 0.103 37.912 38.000 -0.319 0.000 1.539 824 I HN 0.111 nan 8.210 nan 0.000 0.447 825 W N 1.825 123.213 121.300 0.146 0.000 2.518 825 W HA 0.258 4.912 4.660 -0.011 0.000 0.273 825 W C 1.535 178.093 176.519 0.064 0.000 1.247 825 W CA 1.058 58.473 57.345 0.117 0.000 1.288 825 W CB -1.070 28.447 29.460 0.095 0.000 1.107 825 W HN 0.361 nan 8.180 nan 0.000 0.586 826 G N 0.865 109.803 108.800 0.230 0.000 2.248 826 G HA2 -0.094 3.860 3.960 -0.011 0.000 0.263 826 G HA3 -0.094 3.860 3.960 -0.011 0.000 0.263 826 G C -0.333 174.643 174.900 0.126 0.000 1.082 826 G CA 0.170 45.350 45.100 0.133 0.000 0.863 826 G HN 0.419 nan 8.290 nan 0.000 0.495 827 V N -4.360 115.646 119.914 0.154 0.000 2.962 827 V HA 0.931 5.044 4.120 -0.011 0.000 0.313 827 V C -0.434 175.719 176.094 0.099 0.000 1.099 827 V CA -1.679 60.693 62.300 0.120 0.000 0.971 827 V CB 2.359 34.266 31.823 0.140 0.000 1.028 827 V HN 0.126 nan 8.190 nan 0.000 0.430 828 E N 3.341 123.583 120.200 0.071 0.000 2.151 828 E HA 0.552 4.895 4.350 -0.011 0.000 0.275 828 E C -2.544 174.091 176.600 0.058 0.000 0.936 828 E CA -1.802 54.632 56.400 0.057 0.000 0.777 828 E CB 1.961 31.687 29.700 0.043 0.000 1.108 828 E HN 0.751 nan 8.360 nan 0.000 0.401 829 P HA 0.092 nan 4.420 nan 0.000 0.272 829 P C -0.576 176.750 177.300 0.043 0.000 1.230 829 P CA -0.310 62.821 63.100 0.052 0.000 0.788 829 P CB 0.774 32.502 31.700 0.045 0.000 0.949 830 S N 0.895 116.621 115.700 0.043 0.000 2.649 830 S HA 0.303 4.766 4.470 -0.011 0.000 0.274 830 S C -0.002 174.618 174.600 0.034 0.000 1.176 830 S CA -0.881 57.342 58.200 0.039 0.000 0.988 830 S CB 0.974 64.201 63.200 0.045 0.000 1.071 830 S HN 0.283 nan 8.310 nan 0.000 0.478 831 R N 2.897 123.414 120.500 0.029 0.000 3.081 831 R HA 0.197 4.531 4.340 -0.011 0.000 0.280 831 R C -0.163 176.146 176.300 0.015 0.000 1.372 831 R CA -0.052 56.064 56.100 0.026 0.000 1.242 831 R CB 0.052 30.369 30.300 0.029 0.000 1.316 831 R HN 0.665 nan 8.270 nan 0.000 0.585 832 Q N 0.946 120.754 119.800 0.013 0.000 2.296 832 Q HA 0.206 4.539 4.340 -0.011 0.000 0.257 832 Q C -0.425 175.565 176.000 -0.016 0.000 0.942 832 Q CA -0.539 55.265 55.803 0.002 0.000 0.939 832 Q CB 1.404 30.149 28.738 0.010 0.000 1.198 832 Q HN -0.088 nan 8.270 nan 0.000 0.429 833 R N 1.828 122.312 120.500 -0.027 0.000 2.458 833 R HA 0.023 4.357 4.340 -0.011 0.000 0.303 833 R C -0.462 175.802 176.300 -0.060 0.000 1.013 833 R CA -0.125 55.948 56.100 -0.045 0.000 1.026 833 R CB 0.036 30.309 30.300 -0.045 0.000 0.948 833 R HN 0.418 nan 8.270 nan 0.000 0.417 834 L N 6.706 127.878 121.223 -0.085 0.000 2.461 834 L HA 0.164 4.497 4.340 -0.011 0.000 0.272 834 L C -1.645 175.168 176.870 -0.094 0.000 1.197 834 L CA -1.736 53.024 54.840 -0.133 0.000 0.836 834 L CB 0.385 42.340 42.059 -0.174 0.000 1.105 834 L HN 0.609 nan 8.230 nan 0.000 0.477 835 P HA 0.041 nan 4.420 nan 0.000 0.229 835 P C 0.001 177.279 177.300 -0.036 0.000 1.485 835 P CA 0.668 63.740 63.100 -0.046 0.000 1.217 835 P CB -0.656 31.028 31.700 -0.027 0.000 1.852 836 A N 4.847 127.646 122.820 -0.036 0.000 6.759 836 A HA -0.177 4.137 4.320 -0.011 0.000 0.308 836 A C -1.369 176.204 177.584 -0.018 0.000 2.086 836 A CA 0.487 52.510 52.037 -0.024 0.000 1.123 836 A CB -1.907 17.085 19.000 -0.013 0.000 1.078 836 A HN 0.377 nan 8.150 nan 0.000 0.457 837 P HA 0.178 nan 4.420 nan 0.000 0.252 837 P C 0.097 177.404 177.300 0.012 0.000 1.211 837 P CA 0.558 63.664 63.100 0.009 0.000 0.824 837 P CB -0.357 31.359 31.700 0.027 0.000 1.077 838 D N 1.872 122.277 120.400 0.008 0.000 5.561 838 D HA -0.189 4.444 4.640 -0.011 0.000 0.166 838 D C 1.462 177.766 176.300 0.006 0.000 1.127 838 D CA 0.773 54.778 54.000 0.007 0.000 0.720 838 D CB 0.174 40.976 40.800 0.004 0.000 1.322 838 D HN 0.089 nan 8.370 nan 0.000 0.745 839 E N 2.944 123.147 120.200 0.005 0.000 2.965 839 E HA -0.445 3.898 4.350 -0.011 0.000 0.215 839 E C 0.170 176.771 176.600 0.002 0.000 0.862 839 E CA 2.756 59.157 56.400 0.001 0.000 1.372 839 E CB -0.259 29.439 29.700 -0.002 0.000 1.425 839 E HN 0.894 nan 8.360 nan 0.000 0.458 840 K N -0.574 119.827 120.400 0.001 0.000 7.396 840 K HA -0.164 4.149 4.320 -0.011 0.000 0.647 840 K C -0.614 175.985 176.600 -0.001 0.000 2.584 840 K CA 1.252 57.540 56.287 0.002 0.000 1.938 840 K CB -0.632 31.872 32.500 0.006 0.000 1.962 840 K HN 0.334 nan 8.250 nan 0.000 0.295 841 I N 3.337 123.905 120.570 -0.003 0.000 2.642 841 I HA 0.293 4.456 4.170 -0.011 0.000 0.273 841 I C -1.991 174.123 176.117 -0.005 0.000 1.208 841 I CA -1.554 59.743 61.300 -0.006 0.000 1.037 841 I CB 0.430 38.425 38.000 -0.010 0.000 1.253 841 I HN 0.938 nan 8.210 nan 0.000 0.504 842 P HA 0.000 nan 4.420 nan 0.000 0.216 842 P CA 0.000 63.100 63.100 -0.000 0.000 0.800 842 P CB 0.000 31.703 31.700 0.005 0.000 0.726