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 2gpn_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 LWSAKAPXXX XXXXXXXXGY DATA SEQUENCE IQAVLDRNLA ENISRVLYPN DNFFEGKELR LKQEYFVVAA TLQDIIRRFK DATA SEQUENCE SXXXXXXXXX XTNFDAFPDK VAIQLNDTHP SLAIPELMRV LVDLERLDWD DATA SEQUENCE KAWEVTVKTC AYTNHTVIPE ALERWPVHLL ETLLPRHLQI IYEINQRFLN DATA SEQUENCE RVAAAFPGDV DRLRRMSLVE EGAVKRINMA HLCIAGSHAV NGVARIHSEI DATA SEQUENCE LKKTIFKDFY ELEPHKFQNK TNGITPRRWL VLCNPGLAEI IAERIGEEYI DATA SEQUENCE SDLDQLRKLL SYVDDEAFIR DVAKVKQENK LKFAAYLERE YKVHINPNSL DATA SEQUENCE FDVQVKRIHE YKRQLLNCLH VITLYNRIKK EPNKFVVPRT VMIGGKAAPG DATA SEQUENCE YHMAKMIIKL ITAIGDVVNH DPVVGDRLRV IFLENYRVSL AEKVIPAADL DATA SEQUENCE SEQISTAGTE ASGTGNMXFM LNGALTIGTM DGANVEMAEE AGEENFFIFG DATA SEQUENCE MRVEDVDRLD QRGYNAQEYY DRIPELRQII EQLSSGFFSP KQPDLFKDIV DATA SEQUENCE NMLMHHDRFK VFADYEEYVK CQERVSALYK NPREWTRMVI RNIATSGKFS DATA SEQUENCE SDRTIAQYAR EIWGVEPSRQ RLPA 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 0.000 176.121 176.117 0.006 0.000 1.063 13 I CA 0.000 61.302 61.300 0.003 0.000 1.566 13 I CB 0.000 38.006 38.000 0.009 0.000 1.214 14 S N 3.603 119.311 115.700 0.013 0.000 2.419 14 S HA -0.147 4.321 4.470 -0.004 0.000 0.235 14 S C 1.780 176.394 174.600 0.024 0.000 1.019 14 S CA 1.340 59.550 58.200 0.016 0.000 0.982 14 S CB -0.397 62.816 63.200 0.021 0.000 0.789 14 S HN 0.896 nan 8.310 nan 0.000 0.490 15 V N -0.465 119.471 119.914 0.036 0.000 2.913 15 V HA 0.134 4.252 4.120 -0.004 0.000 0.260 15 V C 2.129 178.244 176.094 0.035 0.000 1.098 15 V CA 1.215 63.541 62.300 0.045 0.000 1.121 15 V CB -1.062 30.797 31.823 0.059 0.000 0.714 15 V HN 0.412 nan 8.190 nan 0.000 0.487 16 R N 1.203 121.714 120.500 0.019 0.000 2.313 16 R HA 0.411 4.748 4.340 -0.004 0.000 0.199 16 R C 1.229 177.526 176.300 -0.005 0.000 0.958 16 R CA 0.571 56.676 56.100 0.007 0.000 1.047 16 R CB -0.170 30.128 30.300 -0.002 0.000 0.955 16 R HN 0.792 nan 8.270 nan 0.000 0.481 17 G N 0.845 109.642 108.800 -0.004 0.000 2.660 17 G HA2 -0.257 3.701 3.960 -0.004 0.000 0.215 17 G HA3 -0.257 3.701 3.960 -0.004 0.000 0.215 17 G C -0.636 174.254 174.900 -0.017 0.000 1.345 17 G CA -0.937 44.154 45.100 -0.016 0.000 0.877 17 G HN 0.095 nan 8.290 nan 0.000 0.549 18 L N 0.118 121.328 121.223 -0.021 0.000 2.325 18 L HA 0.670 5.007 4.340 -0.004 0.000 0.279 18 L C 0.976 177.835 176.870 -0.019 0.000 1.054 18 L CA -0.289 54.540 54.840 -0.018 0.000 0.804 18 L CB 1.842 43.891 42.059 -0.016 0.000 1.200 18 L HN 1.166 nan 8.230 nan 0.000 0.436 19 A N 2.330 125.141 122.820 -0.015 0.000 3.079 19 A HA 0.544 4.862 4.320 -0.004 0.000 0.315 19 A C 0.582 178.163 177.584 -0.005 0.000 1.334 19 A CA -0.428 51.602 52.037 -0.012 0.000 1.048 19 A CB -0.373 18.619 19.000 -0.014 0.000 1.156 19 A HN 0.802 nan 8.150 nan 0.000 0.523 20 G N 0.113 108.911 108.800 -0.002 0.000 2.414 20 G HA2 0.323 4.281 3.960 -0.004 0.000 0.236 20 G HA3 0.323 4.281 3.960 -0.004 0.000 0.236 20 G C 1.211 176.117 174.900 0.009 0.000 1.293 20 G CA 0.185 45.287 45.100 0.003 0.000 0.869 20 G HN 1.298 nan 8.290 nan 0.000 0.556 21 V N 0.608 120.527 119.914 0.010 0.000 2.295 21 V HA -0.155 3.963 4.120 -0.004 0.000 0.246 21 V C 2.126 178.231 176.094 0.017 0.000 1.049 21 V CA 2.398 64.705 62.300 0.012 0.000 1.024 21 V CB -0.876 30.954 31.823 0.010 0.000 0.648 21 V HN 0.747 nan 8.190 nan 0.000 0.447 22 E N 1.032 121.243 120.200 0.019 0.000 2.072 22 E HA -0.180 4.168 4.350 -0.004 0.000 0.191 22 E C 2.232 178.854 176.600 0.036 0.000 0.985 22 E CA 1.397 57.812 56.400 0.025 0.000 0.801 22 E CB -0.370 29.344 29.700 0.022 0.000 0.750 22 E HN 0.690 nan 8.360 nan 0.000 0.452 23 N N 0.687 119.409 118.700 0.037 0.000 2.069 23 N HA -0.160 4.578 4.740 -0.004 0.000 0.191 23 N C 1.707 177.246 175.510 0.049 0.000 1.031 23 N CA 1.173 54.254 53.050 0.051 0.000 0.852 23 N CB -0.232 38.276 38.487 0.036 0.000 1.018 23 N HN -0.023 nan 8.380 nan 0.000 0.423 24 V N 0.172 120.104 119.914 0.031 0.000 2.287 24 V HA -0.235 3.883 4.120 -0.004 0.000 0.248 24 V C 2.250 178.364 176.094 0.034 0.000 1.053 24 V CA 2.162 64.478 62.300 0.027 0.000 1.027 24 V CB -1.116 30.718 31.823 0.018 0.000 0.646 24 V HN 0.425 nan 8.190 nan 0.000 0.447 25 T N -0.454 114.120 114.554 0.033 0.000 2.684 25 T HA -0.273 4.075 4.350 -0.004 0.000 0.267 25 T C 1.918 176.648 174.700 0.051 0.000 1.036 25 T CA 2.037 64.157 62.100 0.033 0.000 1.148 25 T CB -0.235 68.649 68.868 0.027 0.000 0.863 25 T HN 0.575 nan 8.240 nan 0.000 0.436 26 E N 0.836 121.074 120.200 0.063 0.000 2.077 26 E HA -0.071 4.277 4.350 -0.004 0.000 0.193 26 E C 2.063 178.736 176.600 0.121 0.000 0.989 26 E CA 0.989 57.440 56.400 0.084 0.000 0.800 26 E CB -0.507 29.247 29.700 0.090 0.000 0.746 26 E HN 0.453 nan 8.360 nan 0.000 0.452 27 L N 0.242 121.543 121.223 0.129 0.000 2.042 27 L HA -0.220 4.118 4.340 -0.004 0.000 0.210 27 L C 2.468 179.437 176.870 0.166 0.000 1.076 27 L CA 1.739 56.676 54.840 0.163 0.000 0.749 27 L CB -0.375 41.752 42.059 0.115 0.000 0.893 27 L HN 0.077 nan 8.230 nan 0.000 0.432 28 K N -0.105 120.354 120.400 0.098 0.000 2.057 28 K HA -0.217 4.100 4.320 -0.004 0.000 0.207 28 K C 2.172 178.863 176.600 0.152 0.000 1.049 28 K CA 1.238 57.575 56.287 0.083 0.000 0.931 28 K CB -0.168 32.340 32.500 0.012 0.000 0.714 28 K HN 0.163 nan 8.250 nan 0.000 0.440 29 K N 1.063 121.535 120.400 0.119 0.000 2.032 29 K HA -0.170 4.148 4.320 -0.004 0.000 0.209 29 K C 1.684 178.369 176.600 0.141 0.000 1.048 29 K CA 1.530 57.882 56.287 0.109 0.000 0.927 29 K CB -0.032 32.510 32.500 0.071 0.000 0.712 29 K HN 0.107 nan 8.250 nan 0.000 0.441 30 N N 0.283 119.080 118.700 0.162 0.000 2.244 30 N HA -0.147 4.591 4.740 -0.004 0.000 0.183 30 N C 1.664 177.344 175.510 0.283 0.000 1.016 30 N CA 0.858 54.011 53.050 0.171 0.000 0.866 30 N CB -0.345 38.256 38.487 0.189 0.000 0.980 30 N HN 0.179 nan 8.380 nan 0.000 0.430 31 F N 2.663 122.716 119.950 0.171 0.000 2.046 31 F HA -0.137 4.388 4.527 -0.004 0.000 0.297 31 F C 2.066 177.979 175.800 0.188 0.000 1.123 31 F CA 1.407 59.519 58.000 0.187 0.000 1.199 31 F CB -0.348 38.723 39.000 0.119 0.000 0.972 31 F HN -0.023 nan 8.300 nan 0.000 0.474 32 N N 0.472 119.421 118.700 0.415 0.000 2.149 32 N HA -0.223 4.515 4.740 -0.004 0.000 0.188 32 N C 2.068 177.686 175.510 0.180 0.000 1.019 32 N CA 1.385 54.601 53.050 0.277 0.000 0.857 32 N CB -0.559 38.055 38.487 0.211 0.000 0.997 32 N HN 0.389 nan 8.380 nan 0.000 0.426 33 R N 0.242 120.842 120.500 0.166 0.000 2.073 33 R HA -0.103 4.235 4.340 -0.004 0.000 0.234 33 R C 1.895 178.308 176.300 0.189 0.000 1.134 33 R CA 1.498 57.717 56.100 0.199 0.000 0.952 33 R CB -0.262 30.077 30.300 0.064 0.000 0.850 33 R HN 0.378 nan 8.270 nan 0.000 0.433 34 H N -0.269 118.876 119.070 0.126 0.000 2.353 34 H HA -0.137 4.417 4.556 -0.004 0.000 0.300 34 H C 1.945 177.269 175.328 -0.006 0.000 1.090 34 H CA 1.534 57.603 56.048 0.035 0.000 1.327 34 H CB 0.020 29.777 29.762 -0.008 0.000 1.383 34 H HN 0.133 nan 8.280 nan 0.000 0.508 35 L N 0.025 121.290 121.223 0.070 0.000 2.013 35 L HA -0.235 4.103 4.340 -0.004 0.000 0.212 35 L C 2.247 179.143 176.870 0.042 0.000 1.073 35 L CA 1.974 56.827 54.840 0.021 0.000 0.753 35 L CB -0.490 41.599 42.059 0.050 0.000 0.890 35 L HN 0.314 nan 8.230 nan 0.000 0.432 36 H N -1.545 117.492 119.070 -0.055 0.000 2.265 36 H HA -0.108 4.445 4.556 -0.004 0.000 0.305 36 H C 1.865 177.049 175.328 -0.241 0.000 1.054 36 H CA 2.466 58.392 56.048 -0.205 0.000 1.296 36 H CB -0.458 29.082 29.762 -0.370 0.000 1.395 36 H HN 0.280 nan 8.280 nan 0.000 0.502 37 F N -0.226 119.723 119.950 -0.003 0.000 2.163 37 F HA -0.083 4.441 4.527 -0.004 0.000 0.297 37 F C 2.728 178.466 175.800 -0.104 0.000 1.094 37 F CA 1.555 59.503 58.000 -0.086 0.000 1.290 37 F CB -0.569 38.418 39.000 -0.022 0.000 1.017 37 F HN 0.211 nan 8.300 nan 0.000 0.483 38 T N 0.094 114.714 114.554 0.109 0.000 2.894 38 T HA 0.039 4.387 4.350 -0.004 0.000 0.258 38 T C 2.043 176.690 174.700 -0.087 0.000 1.043 38 T CA 0.882 62.968 62.100 -0.023 0.000 1.141 38 T CB -0.263 68.559 68.868 -0.076 0.000 0.873 38 T HN 0.124 nan 8.240 nan 0.000 0.449 39 L N 1.006 122.191 121.223 -0.063 0.000 2.416 39 L HA 0.172 4.510 4.340 -0.004 0.000 0.216 39 L C 0.594 177.402 176.870 -0.103 0.000 1.098 39 L CA 0.060 54.851 54.840 -0.081 0.000 0.840 39 L CB -0.170 41.859 42.059 -0.049 0.000 0.981 39 L HN 0.015 nan 8.230 nan 0.000 0.462 40 V N 0.523 120.356 119.914 -0.136 0.000 5.961 40 V HA -0.263 3.854 4.120 -0.004 0.000 0.311 40 V C 0.078 176.090 176.094 -0.137 0.000 0.552 40 V CA 1.101 63.291 62.300 -0.185 0.000 0.641 40 V CB -2.139 29.590 31.823 -0.158 0.000 0.286 40 V HN 0.397 nan 8.190 nan 0.000 0.939 41 K N 1.058 121.391 120.400 -0.111 0.000 2.349 41 K HA 0.872 5.190 4.320 -0.004 0.000 0.243 41 K C -0.398 176.189 176.600 -0.022 0.000 1.058 41 K CA -0.248 55.999 56.287 -0.066 0.000 0.871 41 K CB 2.532 34.993 32.500 -0.064 0.000 1.337 41 K HN 0.559 nan 8.250 nan 0.000 0.469 42 D N -1.485 118.922 120.400 0.011 0.000 2.615 42 D HA 0.247 4.885 4.640 -0.004 0.000 0.267 42 D C 0.315 176.667 176.300 0.086 0.000 1.236 42 D CA -0.633 53.404 54.000 0.063 0.000 0.839 42 D CB 0.862 41.692 40.800 0.051 0.000 1.380 42 D HN 0.190 nan 8.370 nan 0.000 0.433 43 R N 0.265 120.845 120.500 0.133 0.000 2.285 43 R HA -0.048 4.290 4.340 -0.004 0.000 0.213 43 R C 1.147 177.520 176.300 0.123 0.000 1.068 43 R CA 0.828 57.039 56.100 0.186 0.000 1.004 43 R CB -0.848 29.565 30.300 0.188 0.000 0.873 43 R HN 0.639 nan 8.270 nan 0.000 0.467 44 N N 0.675 119.418 118.700 0.071 0.000 2.376 44 N HA -0.109 4.628 4.740 -0.004 0.000 0.177 44 N C 1.429 176.957 175.510 0.030 0.000 1.024 44 N CA 0.758 53.837 53.050 0.048 0.000 0.893 44 N CB 0.444 38.950 38.487 0.032 0.000 0.980 44 N HN 0.080 nan 8.380 nan 0.000 0.439 45 V N -3.501 116.420 119.914 0.011 0.000 3.605 45 V HA 0.587 4.705 4.120 -0.004 0.000 0.284 45 V C 0.633 176.695 176.094 -0.054 0.000 1.386 45 V CA -0.254 62.037 62.300 -0.014 0.000 1.053 45 V CB -0.550 31.261 31.823 -0.020 0.000 0.857 45 V HN 0.248 nan 8.190 nan 0.000 0.436 46 A N 2.271 125.039 122.820 -0.087 0.000 2.477 46 A HA 0.575 4.893 4.320 -0.004 0.000 0.246 46 A C 0.772 178.171 177.584 -0.308 0.000 1.078 46 A CA 0.742 52.612 52.037 -0.278 0.000 0.770 46 A CB -0.120 18.562 19.000 -0.531 0.000 1.011 46 A HN 0.805 nan 8.150 nan 0.000 0.494 47 T N 0.295 114.670 114.554 -0.299 0.000 2.897 47 T HA 0.550 4.897 4.350 -0.004 0.000 0.278 47 T C -2.064 172.516 174.700 -0.201 0.000 0.981 47 T CA -1.662 60.337 62.100 -0.170 0.000 0.973 47 T CB 0.984 69.801 68.868 -0.084 0.000 1.092 47 T HN 0.263 nan 8.240 nan 0.000 0.543 48 P HA -0.083 nan 4.420 nan 0.000 0.216 48 P C 1.678 179.058 177.300 0.132 0.000 1.150 48 P CA 0.943 64.136 63.100 0.155 0.000 0.837 48 P CB 0.028 31.801 31.700 0.122 0.000 0.786 49 R N 0.126 120.656 120.500 0.051 0.000 2.083 49 R HA -0.168 4.170 4.340 -0.004 0.000 0.237 49 R C 1.686 178.111 176.300 0.209 0.000 1.137 49 R CA 2.012 58.170 56.100 0.097 0.000 0.951 49 R CB -0.783 29.494 30.300 -0.038 0.000 0.851 49 R HN 0.098 nan 8.270 nan 0.000 0.434 50 D N -0.436 119.981 120.400 0.029 0.000 2.117 50 D HA -0.189 4.449 4.640 -0.004 0.000 0.197 50 D C 1.792 178.105 176.300 0.021 0.000 0.987 50 D CA 1.310 55.298 54.000 -0.020 0.000 0.829 50 D CB -0.314 40.348 40.800 -0.229 0.000 0.961 50 D HN 0.321 nan 8.370 nan 0.000 0.460 51 Y N -0.046 120.349 120.300 0.158 0.000 2.242 51 Y HA -0.171 4.377 4.550 -0.004 0.000 0.291 51 Y C 2.293 178.304 175.900 0.184 0.000 1.137 51 Y CA 0.096 58.334 58.100 0.230 0.000 1.181 51 Y CB -1.173 37.514 38.460 0.378 0.000 0.989 51 Y HN 0.093 nan 8.280 nan 0.000 0.527 52 Y N -0.518 119.898 120.300 0.194 0.000 2.128 52 Y HA -0.278 4.269 4.550 -0.004 0.000 0.284 52 Y C 1.955 177.764 175.900 -0.152 0.000 1.154 52 Y CA 1.290 59.394 58.100 0.008 0.000 1.149 52 Y CB -1.061 37.320 38.460 -0.131 0.000 0.976 52 Y HN 0.011 nan 8.280 nan 0.000 0.505 53 F N 0.320 120.049 119.950 -0.367 0.000 2.134 53 F HA -0.123 4.402 4.527 -0.003 0.000 0.299 53 F C 2.646 178.167 175.800 -0.464 0.000 1.097 53 F CA 1.541 59.203 58.000 -0.563 0.000 1.264 53 F CB -1.012 37.859 39.000 -0.214 0.000 1.001 53 F HN 0.201 nan 8.300 nan 0.000 0.479 54 A N -0.366 122.353 122.820 -0.169 0.000 1.930 54 A HA -0.154 4.164 4.320 -0.004 0.000 0.217 54 A C 2.076 179.467 177.584 -0.323 0.000 1.175 54 A CA 1.486 53.321 52.037 -0.336 0.000 0.627 54 A CB -1.018 17.497 19.000 -0.808 0.000 0.815 54 A HN 0.350 nan 8.150 nan 0.000 0.443 55 L N -0.248 120.879 121.223 -0.159 0.000 2.056 55 L HA -0.003 4.335 4.340 -0.004 0.000 0.207 55 L C 2.595 179.387 176.870 -0.130 0.000 1.078 55 L CA 2.103 57.005 54.840 0.103 0.000 0.749 55 L CB -0.847 41.377 42.059 0.275 0.000 0.901 55 L HN 0.323 nan 8.230 nan 0.000 0.433 56 A N -1.088 121.435 122.820 -0.496 0.000 1.877 56 A HA -0.263 4.055 4.320 -0.004 0.000 0.216 56 A C 2.119 179.285 177.584 -0.696 0.000 1.186 56 A CA 1.951 53.579 52.037 -0.681 0.000 0.620 56 A CB -1.114 17.124 19.000 -1.271 0.000 0.822 56 A HN 0.694 nan 8.150 nan 0.000 0.443 57 H N -0.943 117.792 119.070 -0.559 0.000 2.387 57 H HA -0.070 4.483 4.556 -0.004 0.000 0.299 57 H C 2.350 177.380 175.328 -0.497 0.000 1.090 57 H CA 1.785 57.428 56.048 -0.674 0.000 1.332 57 H CB -0.168 28.934 29.762 -1.099 0.000 1.386 57 H HN 0.445 nan 8.280 nan 0.000 0.516 58 T N -0.011 114.474 114.554 -0.116 0.000 2.708 58 T HA -0.150 4.197 4.350 -0.004 0.000 0.266 58 T C 2.286 177.151 174.700 0.275 0.000 1.037 58 T CA 1.362 63.592 62.100 0.217 0.000 1.146 58 T CB -0.387 68.659 68.868 0.296 0.000 0.865 58 T HN 0.089 nan 8.240 nan 0.000 0.435 59 V N 1.984 122.015 119.914 0.195 0.000 2.343 59 V HA -0.171 3.947 4.120 -0.004 0.000 0.247 59 V C 2.662 178.945 176.094 0.314 0.000 1.051 59 V CA 1.853 64.305 62.300 0.254 0.000 1.036 59 V CB -0.681 31.293 31.823 0.251 0.000 0.654 59 V HN 0.430 nan 8.190 nan 0.000 0.451 60 R N 0.378 121.019 120.500 0.234 0.000 2.105 60 R HA -0.231 4.106 4.340 -0.004 0.000 0.239 60 R C 1.869 178.296 176.300 0.211 0.000 1.135 60 R CA 2.221 58.474 56.100 0.255 0.000 0.967 60 R CB -0.632 29.686 30.300 0.029 0.000 0.861 60 R HN 0.462 nan 8.270 nan 0.000 0.442 61 D N 0.253 120.761 120.400 0.180 0.000 2.190 61 D HA -0.184 4.454 4.640 -0.004 0.000 0.200 61 D C 1.741 178.081 176.300 0.066 0.000 0.992 61 D CA 1.160 55.237 54.000 0.129 0.000 0.854 61 D CB -0.443 40.424 40.800 0.111 0.000 0.936 61 D HN 0.506 nan 8.370 nan 0.000 0.462 62 H N -0.317 118.821 119.070 0.114 0.000 2.491 62 H HA 0.043 4.596 4.556 -0.004 0.000 0.290 62 H C 2.173 177.547 175.328 0.077 0.000 1.050 62 H CA 0.386 56.484 56.048 0.085 0.000 1.309 62 H CB 0.320 30.125 29.762 0.071 0.000 1.392 62 H HN 0.200 nan 8.280 nan 0.000 0.554 63 L N -0.188 121.148 121.223 0.189 0.000 2.270 63 L HA -0.077 4.261 4.340 -0.004 0.000 0.210 63 L C 2.459 179.443 176.870 0.190 0.000 1.104 63 L CA 0.073 54.990 54.840 0.128 0.000 0.804 63 L CB 0.060 42.158 42.059 0.066 0.000 0.937 63 L HN 0.022 nan 8.230 nan 0.000 0.450 64 V N 0.236 120.277 119.914 0.213 0.000 2.255 64 V HA -0.250 3.868 4.120 -0.004 0.000 0.247 64 V C 2.610 178.819 176.094 0.192 0.000 1.051 64 V CA 2.211 64.668 62.300 0.262 0.000 1.018 64 V CB -1.239 30.695 31.823 0.185 0.000 0.641 64 V HN 0.565 nan 8.190 nan 0.000 0.445 65 G N -0.545 108.320 108.800 0.109 0.000 2.418 65 G HA2 -0.255 3.703 3.960 -0.004 0.000 0.217 65 G HA3 -0.255 3.703 3.960 -0.004 0.000 0.217 65 G C 1.743 176.693 174.900 0.084 0.000 1.158 65 G CA 0.838 45.980 45.100 0.069 0.000 0.771 65 G HN 0.431 nan 8.290 nan 0.000 0.545 66 R N -1.353 119.207 120.500 0.099 0.000 2.091 66 R HA -0.115 4.223 4.340 -0.004 0.000 0.238 66 R C 2.270 178.662 176.300 0.153 0.000 1.136 66 R CA 1.367 57.517 56.100 0.084 0.000 0.959 66 R CB -0.384 29.953 30.300 0.061 0.000 0.856 66 R HN 0.488 nan 8.270 nan 0.000 0.437 67 W N 1.347 122.637 121.300 -0.016 0.000 2.358 67 W HA -0.077 4.581 4.660 -0.004 0.000 0.303 67 W C 1.716 178.222 176.519 -0.021 0.000 1.208 67 W CA 0.944 58.281 57.345 -0.015 0.000 1.274 67 W CB -0.534 28.936 29.460 0.016 0.000 1.138 67 W HN -0.006 nan 8.180 nan 0.000 0.515 68 I N -0.047 120.581 120.570 0.096 0.000 2.252 68 I HA -0.293 3.875 4.170 -0.004 0.000 0.245 68 I C 2.654 178.757 176.117 -0.022 0.000 1.102 68 I CA 1.311 62.583 61.300 -0.046 0.000 1.385 68 I CB -0.543 37.432 38.000 -0.041 0.000 1.064 68 I HN -0.140 nan 8.210 nan 0.000 0.414 69 R N -0.036 120.468 120.500 0.006 0.000 2.092 69 R HA -0.113 4.225 4.340 -0.004 0.000 0.231 69 R C 2.327 178.597 176.300 -0.049 0.000 1.119 69 R CA 1.816 57.907 56.100 -0.013 0.000 0.970 69 R CB -0.443 29.847 30.300 -0.016 0.000 0.864 69 R HN 0.340 nan 8.270 nan 0.000 0.440 70 T N 1.087 115.593 114.554 -0.080 0.000 2.674 70 T HA -0.136 4.212 4.350 -0.004 0.000 0.265 70 T C 1.784 176.242 174.700 -0.405 0.000 1.039 70 T CA 1.036 62.980 62.100 -0.259 0.000 1.150 70 T CB -0.099 68.660 68.868 -0.183 0.000 0.864 70 T HN 0.199 nan 8.240 nan 0.000 0.427 71 Q N 0.795 120.504 119.800 -0.152 0.000 2.124 71 Q HA -0.119 4.219 4.340 -0.004 0.000 0.202 71 Q C 2.333 178.354 176.000 0.035 0.000 0.977 71 Q CA 1.339 57.131 55.803 -0.018 0.000 0.850 71 Q CB -0.471 28.279 28.738 0.021 0.000 0.901 71 Q HN 0.488 nan 8.270 nan 0.000 0.429 72 Q N 0.120 119.927 119.800 0.013 0.000 2.079 72 Q HA -0.177 4.160 4.340 -0.004 0.000 0.200 72 Q C 1.934 178.020 176.000 0.143 0.000 0.974 72 Q CA 1.887 57.739 55.803 0.082 0.000 0.840 72 Q CB -0.360 28.404 28.738 0.043 0.000 0.898 72 Q HN 0.570 nan 8.270 nan 0.000 0.430 73 H N -0.968 118.081 119.070 -0.036 0.000 2.319 73 H HA -0.198 4.356 4.556 -0.004 0.000 0.297 73 H C 1.226 176.607 175.328 0.089 0.000 1.097 73 H CA 2.363 58.396 56.048 -0.026 0.000 1.285 73 H CB -0.359 29.326 29.762 -0.129 0.000 1.368 73 H HN 0.356 nan 8.280 nan 0.000 0.495 74 Y N -0.920 119.418 120.300 0.064 0.000 2.224 74 Y HA -0.211 4.337 4.550 -0.004 0.000 0.289 74 Y C 2.518 178.437 175.900 0.032 0.000 1.146 74 Y CA 1.178 59.285 58.100 0.012 0.000 1.182 74 Y CB -1.394 37.146 38.460 0.134 0.000 0.983 74 Y HN 0.376 nan 8.280 nan 0.000 0.524 75 Y N 1.080 121.455 120.300 0.125 0.000 2.163 75 Y HA -0.185 4.363 4.550 -0.004 0.000 0.288 75 Y C 2.123 178.026 175.900 0.005 0.000 1.136 75 Y CA 1.863 59.996 58.100 0.055 0.000 1.147 75 Y CB -0.322 38.159 38.460 0.036 0.000 0.987 75 Y HN 0.186 nan 8.280 nan 0.000 0.509 76 E N -0.287 119.909 120.200 -0.006 0.000 2.077 76 E HA -0.193 4.154 4.350 -0.004 0.000 0.193 76 E C 2.148 178.651 176.600 -0.162 0.000 0.989 76 E CA 1.056 57.390 56.400 -0.110 0.000 0.800 76 E CB -0.087 29.617 29.700 0.006 0.000 0.746 76 E HN 0.221 nan 8.360 nan 0.000 0.452 77 K N 0.677 120.973 120.400 -0.175 0.000 2.167 77 K HA -0.101 4.216 4.320 -0.004 0.000 0.203 77 K C 0.140 176.665 176.600 -0.125 0.000 1.052 77 K CA 0.597 56.778 56.287 -0.178 0.000 0.956 77 K CB -0.076 32.229 32.500 -0.326 0.000 0.735 77 K HN -0.011 nan 8.250 nan 0.000 0.451 78 D N 0.325 120.661 120.400 -0.107 0.000 2.705 78 D HA -0.109 4.528 4.640 -0.004 0.000 0.240 78 D C -2.387 173.879 176.300 -0.056 0.000 1.137 78 D CA 0.172 54.121 54.000 -0.085 0.000 0.677 78 D CB -0.243 40.482 40.800 -0.126 0.000 1.049 78 D HN 0.202 nan 8.370 nan 0.000 0.427 79 P HA 0.065 nan 4.420 nan 0.000 0.274 79 P C 0.055 177.318 177.300 -0.062 0.000 1.260 79 P CA -0.426 62.639 63.100 -0.057 0.000 0.793 79 P CB 0.597 32.248 31.700 -0.082 0.000 1.048 80 K N 0.861 121.227 120.400 -0.058 0.000 2.350 80 K HA 0.105 4.422 4.320 -0.004 0.000 0.279 80 K C 0.070 176.599 176.600 -0.119 0.000 1.027 80 K CA -0.157 56.094 56.287 -0.061 0.000 0.969 80 K CB 0.321 32.801 32.500 -0.033 0.000 0.954 80 K HN 0.306 nan 8.250 nan 0.000 0.474 81 R N 3.827 124.250 120.500 -0.128 0.000 2.407 81 R HA 0.349 4.687 4.340 -0.004 0.000 0.303 81 R C -0.494 175.593 176.300 -0.355 0.000 0.981 81 R CA -0.955 55.007 56.100 -0.229 0.000 0.905 81 R CB 0.917 31.092 30.300 -0.208 0.000 1.099 81 R HN 0.464 nan 8.270 nan 0.000 0.459 82 I N 3.921 124.209 120.570 -0.471 0.000 2.321 82 I HA 0.202 4.369 4.170 -0.004 0.000 0.291 82 I C -0.526 175.302 176.117 -0.482 0.000 0.998 82 I CA -1.025 59.934 61.300 -0.567 0.000 1.227 82 I CB 0.503 38.009 38.000 -0.823 0.000 1.368 82 I HN 0.502 nan 8.210 nan 0.000 0.466 83 Y N 6.171 126.438 120.300 -0.055 0.000 2.402 83 Y HA 0.270 4.817 4.550 -0.004 0.000 0.332 83 Y C -0.253 175.752 175.900 0.176 0.000 0.960 83 Y CA -0.663 57.522 58.100 0.141 0.000 1.228 83 Y CB 1.032 39.528 38.460 0.061 0.000 1.120 83 Y HN 0.413 nan 8.280 nan 0.000 0.491 84 Y N 4.709 125.183 120.300 0.290 0.000 2.518 84 Y HA 0.463 5.011 4.550 -0.004 0.000 0.344 84 Y C -1.214 174.957 175.900 0.453 0.000 0.982 84 Y CA -0.967 57.322 58.100 0.315 0.000 1.234 84 Y CB 0.204 38.838 38.460 0.290 0.000 1.114 84 Y HN 0.506 nan 8.280 nan 0.000 0.515 85 L N 5.042 126.308 121.223 0.073 0.000 2.281 85 L HA 0.434 4.771 4.340 -0.004 0.000 0.285 85 L C -0.115 176.777 176.870 0.037 0.000 1.074 85 L CA 0.244 55.189 54.840 0.175 0.000 0.817 85 L CB 1.176 43.314 42.059 0.132 0.000 1.168 85 L HN 0.573 nan 8.230 nan 0.000 0.434 86 S N 2.772 118.583 115.700 0.185 0.000 2.541 86 S HA 0.471 4.938 4.470 -0.004 0.000 0.271 86 S C 0.324 175.018 174.600 0.157 0.000 1.133 86 S CA -0.637 57.575 58.200 0.020 0.000 0.876 86 S CB 1.050 64.037 63.200 -0.356 0.000 1.105 86 S HN 0.484 nan 8.310 nan 0.000 0.470 87 L N 2.351 123.699 121.223 0.209 0.000 2.558 87 L HA 0.399 4.737 4.340 -0.004 0.000 0.225 87 L C 0.230 177.290 176.870 0.317 0.000 1.128 87 L CA 1.185 56.206 54.840 0.303 0.000 0.868 87 L CB -0.803 41.451 42.059 0.326 0.000 1.006 87 L HN 0.714 nan 8.230 nan 0.000 0.454 88 E N -1.042 119.225 120.200 0.112 0.000 2.292 88 E HA 0.366 4.713 4.350 -0.004 0.000 0.272 88 E C -1.528 174.957 176.600 -0.191 0.000 0.881 88 E CA -0.402 56.053 56.400 0.091 0.000 0.754 88 E CB 2.111 31.846 29.700 0.058 0.000 1.201 88 E HN -0.167 nan 8.360 nan 0.000 0.425 89 F N 2.340 122.404 119.950 0.189 0.000 2.610 89 F HA 0.185 4.709 4.527 -0.004 0.000 0.355 89 F C -0.803 175.085 175.800 0.147 0.000 1.140 89 F CA -0.722 57.375 58.000 0.162 0.000 1.037 89 F CB 0.900 39.985 39.000 0.141 0.000 1.287 89 F HN 0.477 nan 8.300 nan 0.000 0.457 90 Y N 5.339 125.709 120.300 0.116 0.000 2.724 90 Y HA 0.238 4.786 4.550 -0.003 0.000 0.332 90 Y C 0.939 176.859 175.900 0.033 0.000 1.276 90 Y CA -1.214 56.907 58.100 0.034 0.000 1.597 90 Y CB 0.325 38.786 38.460 0.001 0.000 1.584 90 Y HN 0.535 nan 8.280 nan 0.000 0.478 91 M N 1.631 121.391 119.600 0.267 0.000 2.319 91 M HA 0.102 4.579 4.480 -0.004 0.000 0.265 91 M C 1.467 177.766 176.300 -0.002 0.000 1.068 91 M CA 1.099 56.458 55.300 0.098 0.000 1.118 91 M CB -1.295 31.337 32.600 0.052 0.000 1.395 91 M HN 0.682 nan 8.290 nan 0.000 0.435 92 G N 1.146 109.972 108.800 0.043 0.000 2.645 92 G HA2 -0.260 3.698 3.960 -0.004 0.000 0.239 92 G HA3 -0.260 3.698 3.960 -0.004 0.000 0.239 92 G C -0.366 174.505 174.900 -0.049 0.000 1.331 92 G CA -0.439 44.631 45.100 -0.050 0.000 0.890 92 G HN 0.448 nan 8.290 nan 0.000 0.572 93 R N -1.026 119.423 120.500 -0.087 0.000 2.679 93 R HA 0.538 4.876 4.340 -0.004 0.000 0.269 93 R C 1.144 177.337 176.300 -0.179 0.000 1.076 93 R CA 0.427 56.485 56.100 -0.069 0.000 1.160 93 R CB 0.444 30.705 30.300 -0.064 0.000 1.054 93 R HN 0.529 nan 8.270 nan 0.000 0.507 94 T N 0.858 115.252 114.554 -0.268 0.000 2.955 94 T HA -0.001 4.346 4.350 -0.004 0.000 0.251 94 T C 1.423 175.751 174.700 -0.620 0.000 1.002 94 T CA -0.182 61.555 62.100 -0.606 0.000 0.970 94 T CB 0.147 68.263 68.868 -1.254 0.000 1.091 94 T HN 0.357 nan 8.240 nan 0.000 0.495 95 L N 1.988 123.068 121.223 -0.238 0.000 1.970 95 L HA -0.063 4.275 4.340 -0.004 0.000 0.212 95 L C 2.425 179.258 176.870 -0.061 0.000 1.071 95 L CA 2.041 56.888 54.840 0.012 0.000 0.751 95 L CB -0.625 41.665 42.059 0.385 0.000 0.889 95 L HN 0.178 nan 8.230 nan 0.000 0.432 96 Q N -0.663 119.101 119.800 -0.060 0.000 2.084 96 Q HA -0.254 4.083 4.340 -0.004 0.000 0.202 96 Q C 2.235 178.165 176.000 -0.117 0.000 0.978 96 Q CA 1.852 57.614 55.803 -0.068 0.000 0.844 96 Q CB -0.325 28.372 28.738 -0.068 0.000 0.898 96 Q HN 0.748 nan 8.270 nan 0.000 0.426 97 N N -1.019 117.573 118.700 -0.181 0.000 2.104 97 N HA -0.152 4.586 4.740 -0.004 0.000 0.190 97 N C 1.387 176.791 175.510 -0.176 0.000 1.024 97 N CA 1.742 54.677 53.050 -0.192 0.000 0.853 97 N CB 0.084 38.422 38.487 -0.249 0.000 1.008 97 N HN 0.207 nan 8.380 nan 0.000 0.424 98 T N 1.214 115.624 114.554 -0.240 0.000 2.737 98 T HA -0.069 4.279 4.350 -0.004 0.000 0.265 98 T C 2.052 176.690 174.700 -0.104 0.000 1.038 98 T CA 1.068 63.047 62.100 -0.202 0.000 1.144 98 T CB -0.078 68.630 68.868 -0.266 0.000 0.866 98 T HN 0.250 nan 8.240 nan 0.000 0.434 99 M N 0.527 120.080 119.600 -0.078 0.000 2.065 99 M HA -0.117 4.361 4.480 -0.004 0.000 0.259 99 M C 2.491 178.760 176.300 -0.051 0.000 1.069 99 M CA 1.393 56.660 55.300 -0.054 0.000 1.110 99 M CB -0.712 31.869 32.600 -0.030 0.000 1.328 99 M HN 0.088 nan 8.290 nan 0.000 0.405 100 V N 1.073 120.965 119.914 -0.036 0.000 2.252 100 V HA -0.326 3.792 4.120 -0.004 0.000 0.249 100 V C 1.988 178.109 176.094 0.044 0.000 1.056 100 V CA 1.997 64.307 62.300 0.016 0.000 1.022 100 V CB -0.900 30.934 31.823 0.018 0.000 0.641 100 V HN 0.516 nan 8.190 nan 0.000 0.445 101 N N -0.270 118.443 118.700 0.021 0.000 2.381 101 N HA -0.014 4.724 4.740 -0.004 0.000 0.182 101 N C 1.468 176.898 175.510 -0.134 0.000 1.025 101 N CA 1.014 54.062 53.050 -0.004 0.000 0.888 101 N CB 0.036 38.525 38.487 0.004 0.000 0.965 101 N HN 0.430 nan 8.380 nan 0.000 0.438 102 L N 0.292 121.452 121.223 -0.105 0.000 2.640 102 L HA 0.269 4.607 4.340 -0.004 0.000 0.230 102 L C 0.595 177.393 176.870 -0.120 0.000 1.123 102 L CA -0.160 54.616 54.840 -0.106 0.000 0.900 102 L CB 0.052 42.073 42.059 -0.064 0.000 1.146 102 L HN -0.050 nan 8.230 nan 0.000 0.484 103 A N 0.529 123.274 122.820 -0.124 0.000 2.846 103 A HA -0.195 4.122 4.320 -0.004 0.000 0.287 103 A C 0.761 178.294 177.584 -0.085 0.000 1.469 103 A CA 0.811 52.785 52.037 -0.105 0.000 0.757 103 A CB -2.003 16.920 19.000 -0.129 0.000 1.033 103 A HN 0.422 nan 8.150 nan 0.000 0.516 104 L N -1.527 119.645 121.223 -0.086 0.000 2.858 104 L HA 0.175 4.513 4.340 -0.004 0.000 0.251 104 L C 1.886 178.718 176.870 -0.062 0.000 1.149 104 L CA 0.665 55.446 54.840 -0.098 0.000 0.955 104 L CB 0.102 42.064 42.059 -0.161 0.000 1.289 104 L HN 0.653 nan 8.230 nan 0.000 0.542 105 E N 1.380 121.554 120.200 -0.043 0.000 2.033 105 E HA -0.266 4.081 4.350 -0.004 0.000 0.199 105 E C 1.606 178.193 176.600 -0.021 0.000 1.011 105 E CA 2.076 58.462 56.400 -0.024 0.000 0.815 105 E CB 0.088 29.778 29.700 -0.017 0.000 0.755 105 E HN 0.502 nan 8.360 nan 0.000 0.451 106 N N -0.583 118.103 118.700 -0.023 0.000 2.188 106 N HA -0.145 4.593 4.740 -0.004 0.000 0.184 106 N C 1.727 177.224 175.510 -0.022 0.000 1.018 106 N CA 0.768 53.804 53.050 -0.024 0.000 0.858 106 N CB -0.092 38.381 38.487 -0.024 0.000 0.989 106 N HN 0.196 nan 8.380 nan 0.000 0.426 107 A N 0.375 123.180 122.820 -0.025 0.000 1.877 107 A HA -0.156 4.162 4.320 -0.004 0.000 0.216 107 A C 2.396 179.972 177.584 -0.012 0.000 1.186 107 A CA 1.077 53.102 52.037 -0.020 0.000 0.620 107 A CB -0.926 18.056 19.000 -0.030 0.000 0.822 107 A HN 0.462 nan 8.150 nan 0.000 0.443 108 C N -0.832 118.459 119.300 -0.015 0.000 2.440 108 C HA -0.065 4.393 4.460 -0.004 0.000 0.278 108 C C 2.477 177.470 174.990 0.005 0.000 1.295 108 C CA 1.051 60.070 59.018 0.002 0.000 1.738 108 C CB -1.082 26.666 27.740 0.013 0.000 1.987 108 C HN 0.678 nan 8.230 nan 0.000 0.492 109 D N 0.732 121.134 120.400 0.003 0.000 2.104 109 D HA -0.148 4.490 4.640 -0.004 0.000 0.194 109 D C 2.132 178.449 176.300 0.029 0.000 0.994 109 D CA 1.567 55.574 54.000 0.010 0.000 0.830 109 D CB -0.272 40.522 40.800 -0.009 0.000 0.959 109 D HN 0.436 nan 8.370 nan 0.000 0.452 110 E N 0.370 120.580 120.200 0.016 0.000 2.051 110 E HA -0.072 4.276 4.350 -0.004 0.000 0.192 110 E C 1.895 178.534 176.600 0.065 0.000 0.991 110 E CA 1.650 58.080 56.400 0.050 0.000 0.799 110 E CB -0.634 29.076 29.700 0.016 0.000 0.748 110 E HN 0.218 nan 8.360 nan 0.000 0.449 111 A N -0.110 122.716 122.820 0.009 0.000 1.865 111 A HA -0.242 4.076 4.320 -0.004 0.000 0.217 111 A C 2.517 180.030 177.584 -0.118 0.000 1.191 111 A CA 3.154 55.169 52.037 -0.037 0.000 0.623 111 A CB -1.553 17.430 19.000 -0.028 0.000 0.826 111 A HN 0.525 nan 8.150 nan 0.000 0.444 112 T N -3.713 110.765 114.554 -0.126 0.000 2.821 112 T HA -0.210 4.138 4.350 -0.004 0.000 0.267 112 T C 1.839 176.459 174.700 -0.134 0.000 1.046 112 T CA 1.548 63.514 62.100 -0.222 0.000 1.139 112 T CB -0.578 68.200 68.868 -0.151 0.000 0.871 112 T HN 0.503 nan 8.240 nan 0.000 0.454 113 Y N 1.998 122.221 120.300 -0.130 0.000 2.181 113 Y HA -0.037 4.511 4.550 -0.003 0.000 0.288 113 Y C 2.606 178.444 175.900 -0.103 0.000 1.146 113 Y CA 1.441 59.482 58.100 -0.097 0.000 1.164 113 Y CB -0.463 37.960 38.460 -0.062 0.000 0.982 113 Y HN 0.224 nan 8.280 nan 0.000 0.515 114 Q N -0.134 119.598 119.800 -0.114 0.000 2.291 114 Q HA -0.088 4.249 4.340 -0.004 0.000 0.205 114 Q C 1.653 177.515 176.000 -0.229 0.000 0.970 114 Q CA 1.172 56.871 55.803 -0.173 0.000 0.876 114 Q CB -0.048 28.663 28.738 -0.046 0.000 0.935 114 Q HN 0.524 nan 8.270 nan 0.000 0.455 115 L N -0.996 120.067 121.223 -0.267 0.000 2.611 115 L HA 0.188 4.526 4.340 -0.004 0.000 0.229 115 L C 0.896 177.583 176.870 -0.306 0.000 1.137 115 L CA 0.231 54.892 54.840 -0.299 0.000 0.901 115 L CB 0.207 41.996 42.059 -0.449 0.000 1.098 115 L HN 0.340 nan 8.230 nan 0.000 0.456 116 G N 0.631 109.240 108.800 -0.318 0.000 2.137 116 G HA2 -0.252 3.705 3.960 -0.004 0.000 0.237 116 G HA3 -0.252 3.705 3.960 -0.004 0.000 0.237 116 G C -0.089 174.680 174.900 -0.219 0.000 1.002 116 G CA -0.067 44.867 45.100 -0.276 0.000 0.702 116 G HN 0.242 nan 8.290 nan 0.000 0.515 117 L N -0.153 120.937 121.223 -0.221 0.000 2.333 117 L HA 0.644 4.982 4.340 -0.004 0.000 0.269 117 L C -0.551 176.301 176.870 -0.030 0.000 1.010 117 L CA -1.161 53.595 54.840 -0.140 0.000 0.818 117 L CB 1.827 43.745 42.059 -0.235 0.000 1.306 117 L HN 0.089 nan 8.230 nan 0.000 0.430 118 D N 1.828 122.242 120.400 0.024 0.000 2.412 118 D HA 0.192 4.830 4.640 -0.004 0.000 0.224 118 D C 0.664 177.005 176.300 0.068 0.000 1.093 118 D CA -0.274 53.764 54.000 0.062 0.000 0.850 118 D CB 1.453 42.293 40.800 0.068 0.000 1.046 118 D HN 0.486 nan 8.370 nan 0.000 0.507 119 M N 2.886 122.524 119.600 0.064 0.000 2.144 119 M HA -0.185 4.292 4.480 -0.004 0.000 0.260 119 M C 1.225 177.571 176.300 0.076 0.000 1.067 119 M CA 1.649 56.993 55.300 0.074 0.000 1.095 119 M CB 0.228 32.862 32.600 0.057 0.000 1.365 119 M HN 0.444 nan 8.290 nan 0.000 0.406 120 E N -0.511 119.724 120.200 0.059 0.000 2.150 120 E HA -0.230 4.118 4.350 -0.004 0.000 0.193 120 E C 1.834 178.467 176.600 0.056 0.000 0.985 120 E CA 1.118 57.548 56.400 0.050 0.000 0.814 120 E CB -0.234 29.490 29.700 0.040 0.000 0.752 120 E HN 0.619 nan 8.360 nan 0.000 0.466 121 E N 1.300 121.540 120.200 0.066 0.000 2.077 121 E HA -0.186 4.161 4.350 -0.004 0.000 0.193 121 E C 2.161 178.806 176.600 0.075 0.000 0.989 121 E CA 0.665 57.105 56.400 0.068 0.000 0.800 121 E CB 0.037 29.781 29.700 0.074 0.000 0.746 121 E HN 0.242 nan 8.360 nan 0.000 0.452 122 L N 0.531 121.823 121.223 0.114 0.000 2.046 122 L HA -0.175 4.162 4.340 -0.004 0.000 0.208 122 L C 2.425 179.363 176.870 0.112 0.000 1.077 122 L CA 1.423 56.365 54.840 0.170 0.000 0.747 122 L CB -0.490 41.719 42.059 0.250 0.000 0.896 122 L HN 0.164 nan 8.230 nan 0.000 0.432 123 E N -0.156 120.096 120.200 0.087 0.000 2.153 123 E HA -0.201 4.147 4.350 -0.004 0.000 0.194 123 E C 1.949 178.499 176.600 -0.082 0.000 0.988 123 E CA 0.749 57.165 56.400 0.027 0.000 0.811 123 E CB 0.062 29.784 29.700 0.035 0.000 0.746 123 E HN 0.344 nan 8.360 nan 0.000 0.466 124 E N 0.345 120.515 120.200 -0.049 0.000 2.409 124 E HA -0.121 4.226 4.350 -0.004 0.000 0.198 124 E C 1.811 178.339 176.600 -0.119 0.000 1.024 124 E CA 0.456 56.826 56.400 -0.049 0.000 0.861 124 E CB 0.076 29.785 29.700 0.015 0.000 0.788 124 E HN 0.362 nan 8.360 nan 0.000 0.521 125 I N 0.595 121.022 120.570 -0.238 0.000 2.439 125 I HA -0.096 4.072 4.170 -0.004 0.000 0.251 125 I C 1.311 177.139 176.117 -0.482 0.000 1.139 125 I CA 0.356 61.454 61.300 -0.337 0.000 1.438 125 I CB -0.684 37.085 38.000 -0.385 0.000 1.085 125 I HN 0.100 nan 8.210 nan 0.000 0.427 126 E N 2.991 122.765 120.200 -0.710 0.000 2.415 126 E HA -0.057 4.291 4.350 -0.004 0.000 0.263 126 E C -0.159 176.363 176.600 -0.130 0.000 0.995 126 E CA -0.086 55.993 56.400 -0.535 0.000 0.915 126 E CB 0.668 30.126 29.700 -0.404 0.000 0.951 126 E HN 0.137 nan 8.360 nan 0.000 0.449 127 E N 3.532 123.751 120.200 0.032 0.000 2.354 127 E HA 0.057 4.405 4.350 -0.004 0.000 0.269 127 E C -0.546 176.157 176.600 0.173 0.000 1.036 127 E CA -0.334 56.154 56.400 0.148 0.000 0.876 127 E CB 0.711 30.577 29.700 0.277 0.000 1.009 127 E HN 0.502 nan 8.360 nan 0.000 0.416 128 D N 0.988 121.470 120.400 0.135 0.000 2.443 128 D HA 0.084 4.721 4.640 -0.004 0.000 0.239 128 D C -0.422 175.945 176.300 0.112 0.000 1.136 128 D CA 0.128 54.196 54.000 0.114 0.000 0.879 128 D CB 0.686 41.561 40.800 0.124 0.000 1.195 128 D HN 0.391 nan 8.370 nan 0.000 0.443 129 A N 2.575 125.423 122.820 0.046 0.000 2.807 129 A HA 0.440 4.758 4.320 -0.004 0.000 0.307 129 A C 1.002 178.424 177.584 -0.270 0.000 1.532 129 A CA -0.271 51.602 52.037 -0.275 0.000 1.215 129 A CB -0.229 18.652 19.000 -0.198 0.000 1.127 129 A HN 0.461 nan 8.150 nan 0.000 0.543 130 G N 1.876 110.434 108.800 -0.404 0.000 3.581 130 G HA2 0.394 4.352 3.960 -0.004 0.000 0.255 130 G HA3 0.394 4.352 3.960 -0.004 0.000 0.255 130 G C 0.340 174.817 174.900 -0.704 0.000 1.121 130 G CA -0.294 44.478 45.100 -0.546 0.000 1.739 130 G HN 0.690 nan 8.290 nan 0.000 0.646 131 L N 1.358 122.277 121.223 -0.506 0.000 2.939 131 L HA 0.365 4.703 4.340 -0.004 0.000 0.239 131 L C 1.009 177.774 176.870 -0.176 0.000 1.325 131 L CA -0.221 54.479 54.840 -0.233 0.000 1.170 131 L CB -0.353 41.713 42.059 0.012 0.000 1.538 131 L HN 0.304 nan 8.230 nan 0.000 0.452 132 G N -1.298 107.210 108.800 -0.487 0.000 2.698 132 G HA2 0.183 4.141 3.960 -0.004 0.000 0.293 132 G HA3 0.183 4.141 3.960 -0.004 0.000 0.293 132 G C -0.084 174.590 174.900 -0.377 0.000 1.437 132 G CA -0.474 44.458 45.100 -0.280 0.000 0.852 132 G HN -0.085 nan 8.290 nan 0.000 0.499 133 N N -0.566 118.070 118.700 -0.106 0.000 2.336 133 N HA 0.152 4.890 4.740 -0.004 0.000 0.177 133 N C 1.226 176.789 175.510 0.089 0.000 1.018 133 N CA 1.463 54.491 53.050 -0.035 0.000 0.878 133 N CB 0.861 39.370 38.487 0.036 0.000 0.997 133 N HN 0.829 nan 8.380 nan 0.000 0.433 134 G N -0.885 108.013 108.800 0.163 0.000 2.725 134 G HA2 0.197 4.154 3.960 -0.004 0.000 0.098 134 G HA3 0.197 4.154 3.960 -0.004 0.000 0.098 134 G C 0.763 175.741 174.900 0.131 0.000 1.188 134 G CA 0.208 45.415 45.100 0.179 0.000 1.237 134 G HN 0.168 nan 8.290 nan 0.000 0.596 135 G N 0.506 109.351 108.800 0.075 0.000 2.553 135 G HA2 -0.173 3.785 3.960 -0.004 0.000 0.218 135 G HA3 -0.173 3.785 3.960 -0.004 0.000 0.218 135 G C 1.907 176.807 174.900 0.000 0.000 1.195 135 G CA 1.683 46.800 45.100 0.030 0.000 0.779 135 G HN 0.967 nan 8.290 nan 0.000 0.577 136 L N 0.667 121.872 121.223 -0.030 0.000 2.046 136 L HA 0.058 4.395 4.340 -0.004 0.000 0.208 136 L C 2.839 179.660 176.870 -0.082 0.000 1.077 136 L CA 2.078 56.829 54.840 -0.148 0.000 0.747 136 L CB -0.664 41.209 42.059 -0.311 0.000 0.896 136 L HN 0.270 nan 8.230 nan 0.000 0.432 137 G N -0.389 108.414 108.800 0.005 0.000 2.421 137 G HA2 -0.331 3.626 3.960 -0.004 0.000 0.216 137 G HA3 -0.331 3.626 3.960 -0.004 0.000 0.216 137 G C 1.634 176.591 174.900 0.096 0.000 1.171 137 G CA 0.797 45.928 45.100 0.053 0.000 0.775 137 G HN 0.319 nan 8.290 nan 0.000 0.543 138 R N 0.026 120.590 120.500 0.107 0.000 2.115 138 R HA 0.128 4.466 4.340 -0.004 0.000 0.226 138 R C 2.351 178.645 176.300 -0.009 0.000 1.100 138 R CA 0.866 57.006 56.100 0.066 0.000 0.980 138 R CB -0.907 29.395 30.300 0.004 0.000 0.875 138 R HN 0.338 nan 8.270 nan 0.000 0.445 139 L N 0.226 121.382 121.223 -0.112 0.000 2.012 139 L HA -0.077 4.260 4.340 -0.004 0.000 0.210 139 L C 2.125 178.703 176.870 -0.485 0.000 1.073 139 L CA 2.285 56.917 54.840 -0.348 0.000 0.748 139 L CB -0.903 40.916 42.059 -0.399 0.000 0.891 139 L HN 0.261 nan 8.230 nan 0.000 0.431 140 A N -0.543 122.128 122.820 -0.248 0.000 1.917 140 A HA -0.221 4.097 4.320 -0.004 0.000 0.219 140 A C 2.449 180.109 177.584 0.127 0.000 1.182 140 A CA 2.147 54.132 52.037 -0.086 0.000 0.633 140 A CB -1.265 17.636 19.000 -0.166 0.000 0.819 140 A HN 0.609 nan 8.150 nan 0.000 0.448 141 A N -1.173 121.745 122.820 0.165 0.000 1.902 141 A HA -0.167 4.151 4.320 -0.004 0.000 0.217 141 A C 2.319 179.985 177.584 0.137 0.000 1.181 141 A CA 1.689 53.846 52.037 0.201 0.000 0.623 141 A CB -1.265 17.836 19.000 0.169 0.000 0.818 141 A HN 0.615 nan 8.150 nan 0.000 0.443 142 C N -1.490 117.883 119.300 0.123 0.000 2.440 142 C HA -0.042 4.415 4.460 -0.004 0.000 0.278 142 C C 2.429 177.579 174.990 0.267 0.000 1.295 142 C CA 0.543 59.670 59.018 0.183 0.000 1.738 142 C CB -1.573 26.289 27.740 0.204 0.000 1.987 142 C HN 0.607 nan 8.230 nan 0.000 0.492 143 F N 0.456 120.400 119.950 -0.011 0.000 2.146 143 F HA -0.056 4.468 4.527 -0.004 0.000 0.298 143 F C 2.139 177.884 175.800 -0.091 0.000 1.096 143 F CA 0.936 58.874 58.000 -0.103 0.000 1.275 143 F CB -1.486 37.321 39.000 -0.322 0.000 1.008 143 F HN 0.085 nan 8.300 nan 0.000 0.480 144 L N 0.538 121.845 121.223 0.140 0.000 1.990 144 L HA -0.270 4.068 4.340 -0.004 0.000 0.213 144 L C 2.211 179.098 176.870 0.028 0.000 1.072 144 L CA 2.156 57.031 54.840 0.058 0.000 0.755 144 L CB -1.341 40.764 42.059 0.076 0.000 0.889 144 L HN 0.144 nan 8.230 nan 0.000 0.432 145 D N -1.657 118.769 120.400 0.043 0.000 2.104 145 D HA -0.193 4.444 4.640 -0.004 0.000 0.194 145 D C 2.156 178.478 176.300 0.037 0.000 0.994 145 D CA 1.633 55.646 54.000 0.022 0.000 0.830 145 D CB 0.103 40.917 40.800 0.024 0.000 0.959 145 D HN 0.231 nan 8.370 nan 0.000 0.452 146 S N -0.830 114.910 115.700 0.066 0.000 2.383 146 S HA -0.096 4.371 4.470 -0.004 0.000 0.227 146 S C 1.973 176.593 174.600 0.034 0.000 1.026 146 S CA 0.842 59.075 58.200 0.054 0.000 0.981 146 S CB -0.212 63.030 63.200 0.070 0.000 0.818 146 S HN 0.347 nan 8.310 nan 0.000 0.472 147 M N 0.797 120.411 119.600 0.023 0.000 2.229 147 M HA -0.056 4.421 4.480 -0.004 0.000 0.264 147 M C 2.386 178.692 176.300 0.009 0.000 1.063 147 M CA 1.237 56.546 55.300 0.015 0.000 1.114 147 M CB -0.423 32.166 32.600 -0.018 0.000 1.387 147 M HN 0.392 nan 8.290 nan 0.000 0.420 148 A N -0.386 122.437 122.820 0.005 0.000 1.929 148 A HA -0.096 4.222 4.320 -0.004 0.000 0.216 148 A C 2.139 179.744 177.584 0.036 0.000 1.176 148 A CA 1.809 53.854 52.037 0.013 0.000 0.628 148 A CB -0.937 18.054 19.000 -0.015 0.000 0.816 148 A HN 0.388 nan 8.150 nan 0.000 0.444 149 T N 0.194 114.773 114.554 0.042 0.000 2.915 149 T HA 0.040 4.388 4.350 -0.004 0.000 0.269 149 T C 1.226 175.961 174.700 0.058 0.000 1.071 149 T CA 0.909 63.047 62.100 0.062 0.000 1.132 149 T CB -0.234 68.678 68.868 0.075 0.000 0.878 149 T HN 0.320 nan 8.240 nan 0.000 0.479 150 L N 0.617 121.871 121.223 0.053 0.000 2.685 150 L HA 0.307 4.645 4.340 -0.004 0.000 0.233 150 L C 1.529 178.439 176.870 0.066 0.000 1.173 150 L CA -0.194 54.679 54.840 0.056 0.000 0.961 150 L CB -0.392 41.699 42.059 0.053 0.000 1.217 150 L HN 0.372 nan 8.230 nan 0.000 0.478 151 G N 1.232 110.077 108.800 0.076 0.000 2.305 151 G HA2 -0.289 3.669 3.960 -0.004 0.000 0.287 151 G HA3 -0.289 3.669 3.960 -0.004 0.000 0.287 151 G C 0.075 175.041 174.900 0.109 0.000 1.036 151 G CA 0.156 45.327 45.100 0.117 0.000 0.887 151 G HN 0.311 nan 8.290 nan 0.000 0.505 152 L N -0.337 120.909 121.223 0.038 0.000 2.325 152 L HA 0.640 4.978 4.340 -0.004 0.000 0.279 152 L C 1.119 177.824 176.870 -0.275 0.000 1.054 152 L CA -0.496 54.302 54.840 -0.071 0.000 0.804 152 L CB 1.758 43.789 42.059 -0.045 0.000 1.200 152 L HN 0.233 nan 8.230 nan 0.000 0.436 153 A N 2.981 125.456 122.820 -0.576 0.000 2.990 153 A HA 0.567 4.885 4.320 -0.004 0.000 0.282 153 A C 0.306 177.498 177.584 -0.654 0.000 1.688 153 A CA -0.193 51.189 52.037 -1.092 0.000 1.391 153 A CB -0.639 17.592 19.000 -1.282 0.000 1.112 153 A HN 0.686 nan 8.150 nan 0.000 0.588 154 A N 1.530 123.972 122.820 -0.629 0.000 2.318 154 A HA 0.723 5.040 4.320 -0.004 0.000 0.324 154 A C -1.116 176.088 177.584 -0.635 0.000 1.170 154 A CA -0.411 51.330 52.037 -0.494 0.000 0.810 154 A CB 0.585 19.403 19.000 -0.303 0.000 1.198 154 A HN 0.580 nan 8.150 nan 0.000 0.484 155 Y N 1.130 121.346 120.300 -0.140 0.000 2.326 155 Y HA 0.502 5.050 4.550 -0.003 0.000 0.331 155 Y C 0.991 176.974 175.900 0.138 0.000 0.962 155 Y CA -0.420 57.680 58.100 0.001 0.000 1.167 155 Y CB 2.061 40.584 38.460 0.105 0.000 1.148 155 Y HN 0.815 nan 8.280 nan 0.000 0.463 156 G N 2.568 111.425 108.800 0.094 0.000 2.370 156 G HA2 0.364 4.322 3.960 -0.004 0.000 0.272 156 G HA3 0.364 4.322 3.960 -0.004 0.000 0.272 156 G C -1.604 173.311 174.900 0.025 0.000 1.208 156 G CA -0.116 45.066 45.100 0.138 0.000 0.856 156 G HN 0.541 nan 8.290 nan 0.000 0.500 157 Y N 1.007 121.520 120.300 0.356 0.000 2.373 157 Y HA 0.599 5.146 4.550 -0.004 0.000 0.336 157 Y C 0.702 176.895 175.900 0.489 0.000 0.979 157 Y CA 0.246 58.533 58.100 0.311 0.000 1.080 157 Y CB 2.604 41.282 38.460 0.363 0.000 1.190 157 Y HN 0.899 nan 8.280 nan 0.000 0.446 158 G N 2.251 111.357 108.800 0.510 0.000 2.772 158 G HA2 0.495 4.453 3.960 -0.004 0.000 0.284 158 G HA3 0.495 4.453 3.960 -0.004 0.000 0.284 158 G C -2.003 173.130 174.900 0.389 0.000 1.217 158 G CA -0.719 44.711 45.100 0.549 0.000 0.831 158 G HN 0.571 nan 8.290 nan 0.000 0.523 159 I N 0.235 120.945 120.570 0.233 0.000 2.545 159 I HA 0.623 4.791 4.170 -0.004 0.000 0.292 159 I C -0.019 176.044 176.117 -0.089 0.000 1.040 159 I CA -1.142 60.213 61.300 0.093 0.000 1.068 159 I CB 2.025 39.997 38.000 -0.047 0.000 1.251 159 I HN 0.450 nan 8.210 nan 0.000 0.424 160 R N 6.771 127.314 120.500 0.072 0.000 2.891 160 R HA 0.227 4.564 4.340 -0.004 0.000 0.248 160 R C -1.403 174.976 176.300 0.131 0.000 1.439 160 R CA -0.374 55.794 56.100 0.113 0.000 1.288 160 R CB -0.118 30.228 30.300 0.077 0.000 1.212 160 R HN 0.514 nan 8.270 nan 0.000 0.605 161 Y N 1.159 121.612 120.300 0.254 0.000 2.497 161 Y HA -0.099 4.449 4.550 -0.004 0.000 0.334 161 Y C 1.576 177.638 175.900 0.270 0.000 1.199 161 Y CA 0.173 58.407 58.100 0.223 0.000 1.425 161 Y CB 0.685 39.247 38.460 0.170 0.000 1.291 161 Y HN 0.559 nan 8.280 nan 0.000 0.562 162 E N 1.494 121.873 120.200 0.298 0.000 2.107 162 E HA -0.022 4.326 4.350 -0.004 0.000 0.191 162 E C -0.738 175.716 176.600 -0.243 0.000 0.982 162 E CA 0.583 56.969 56.400 -0.023 0.000 0.809 162 E CB 0.196 29.803 29.700 -0.154 0.000 0.756 162 E HN 0.464 nan 8.360 nan 0.000 0.459 163 F N -0.328 119.821 119.950 0.332 0.000 2.477 163 F HA 0.431 4.955 4.527 -0.004 0.000 0.335 163 F C 0.802 176.670 175.800 0.115 0.000 1.130 163 F CA -0.827 57.325 58.000 0.254 0.000 0.948 163 F CB 1.784 40.866 39.000 0.136 0.000 1.154 163 F HN -0.119 nan 8.300 nan 0.000 0.439 164 G N 1.874 110.758 108.800 0.141 0.000 2.582 164 G HA2 0.323 4.280 3.960 -0.004 0.000 0.232 164 G HA3 0.323 4.280 3.960 -0.004 0.000 0.232 164 G C -0.508 174.326 174.900 -0.109 0.000 1.458 164 G CA -0.646 44.372 45.100 -0.137 0.000 1.062 164 G HN 0.553 nan 8.290 nan 0.000 0.566 165 I N 1.109 121.527 120.570 -0.253 0.000 2.683 165 I HA 0.222 4.389 4.170 -0.004 0.000 0.286 165 I C 0.562 176.573 176.117 -0.177 0.000 1.175 165 I CA -1.372 59.768 61.300 -0.266 0.000 1.429 165 I CB -0.534 37.219 38.000 -0.411 0.000 1.371 165 I HN 0.341 nan 8.210 nan 0.000 0.569 166 F N 5.361 125.311 119.950 0.001 0.000 2.626 166 F HA 0.150 4.675 4.527 -0.004 0.000 0.354 166 F C 0.354 176.197 175.800 0.071 0.000 1.168 166 F CA -0.437 57.588 58.000 0.042 0.000 1.368 166 F CB -0.526 38.489 39.000 0.024 0.000 1.092 166 F HN 0.554 nan 8.300 nan 0.000 0.612 167 N N 1.800 120.683 118.700 0.304 0.000 2.430 167 N HA 0.059 4.797 4.740 -0.004 0.000 0.265 167 N C -0.877 174.875 175.510 0.404 0.000 1.100 167 N CA -0.603 52.596 53.050 0.248 0.000 0.961 167 N CB 0.611 39.229 38.487 0.218 0.000 1.075 167 N HN 0.661 nan 8.380 nan 0.000 0.478 168 Q N 3.149 123.162 119.800 0.356 0.000 2.274 168 Q HA 0.190 4.527 4.340 -0.004 0.000 0.256 168 Q C -0.992 175.188 176.000 0.299 0.000 0.927 168 Q CA -0.271 55.786 55.803 0.424 0.000 0.939 168 Q CB 0.691 29.693 28.738 0.439 0.000 1.201 168 Q HN 0.391 nan 8.270 nan 0.000 0.426 169 K N 3.945 124.494 120.400 0.247 0.000 2.203 169 K HA 0.496 4.814 4.320 -0.004 0.000 0.251 169 K C -0.653 176.050 176.600 0.172 0.000 0.944 169 K CA -0.991 55.415 56.287 0.200 0.000 0.829 169 K CB 1.499 34.091 32.500 0.153 0.000 1.125 169 K HN 0.592 nan 8.250 nan 0.000 0.430 170 I N 1.928 122.594 120.570 0.159 0.000 2.355 170 I HA 0.172 4.339 4.170 -0.004 0.000 0.288 170 I C -0.304 175.878 176.117 0.108 0.000 0.999 170 I CA -0.689 60.678 61.300 0.112 0.000 1.163 170 I CB 0.986 39.039 38.000 0.090 0.000 1.316 170 I HN 0.586 nan 8.210 nan 0.000 0.454 171 C N 5.292 124.665 119.300 0.121 0.000 2.346 171 C HA 0.663 5.120 4.460 -0.004 0.000 0.326 171 C C 1.120 176.216 174.990 0.177 0.000 1.224 171 C CA 0.377 59.468 59.018 0.122 0.000 1.408 171 C CB -0.109 27.689 27.740 0.097 0.000 2.089 171 C HN 1.125 nan 8.230 nan 0.000 0.456 172 G N 3.946 112.828 108.800 0.137 0.000 2.198 172 G HA2 0.122 4.079 3.960 -0.004 0.000 0.260 172 G HA3 0.122 4.079 3.960 -0.004 0.000 0.260 172 G C 1.232 176.194 174.900 0.103 0.000 1.025 172 G CA 1.117 46.315 45.100 0.163 0.000 0.769 172 G HN 2.711 nan 8.290 nan 0.000 0.507 173 G N -3.046 105.752 108.800 -0.003 0.000 2.159 173 G HA2 -0.251 3.707 3.960 -0.004 0.000 0.256 173 G HA3 -0.251 3.707 3.960 -0.004 0.000 0.256 173 G C 0.241 174.938 174.900 -0.338 0.000 0.977 173 G CA 0.699 45.681 45.100 -0.195 0.000 0.652 173 G HN 1.277 nan 8.290 nan 0.000 0.531 174 W N 0.161 121.407 121.300 -0.090 0.000 2.706 174 W HA 0.684 5.342 4.660 -0.004 0.000 0.346 174 W C 0.461 176.916 176.519 -0.106 0.000 1.071 174 W CA -1.062 56.216 57.345 -0.111 0.000 1.206 174 W CB 0.932 30.345 29.460 -0.078 0.000 1.413 174 W HN 0.248 nan 8.180 nan 0.000 0.542 175 Q N 2.615 122.506 119.800 0.152 0.000 2.332 175 Q HA 0.281 4.618 4.340 -0.004 0.000 0.263 175 Q C -0.632 175.417 176.000 0.082 0.000 0.979 175 Q CA 0.241 56.101 55.803 0.094 0.000 0.885 175 Q CB 0.552 29.338 28.738 0.081 0.000 1.218 175 Q HN 0.288 nan 8.270 nan 0.000 0.405 176 M N 2.973 122.614 119.600 0.068 0.000 2.465 176 M HA 0.402 4.880 4.480 -0.004 0.000 0.316 176 M C -1.166 175.123 176.300 -0.017 0.000 1.121 176 M CA -0.723 54.581 55.300 0.006 0.000 0.934 176 M CB 1.737 34.355 32.600 0.030 0.000 1.692 176 M HN 0.594 nan 8.290 nan 0.000 0.444 177 E N 1.143 121.252 120.200 -0.151 0.000 2.179 177 E HA 0.556 4.903 4.350 -0.004 0.000 0.275 177 E C -0.965 175.612 176.600 -0.039 0.000 0.945 177 E CA -0.461 55.809 56.400 -0.215 0.000 0.792 177 E CB 1.798 31.076 29.700 -0.705 0.000 1.125 177 E HN 0.410 nan 8.360 nan 0.000 0.397 178 E N 0.833 121.097 120.200 0.107 0.000 2.266 178 E HA 0.587 4.935 4.350 -0.004 0.000 0.268 178 E C -1.042 175.640 176.600 0.138 0.000 0.879 178 E CA -1.250 55.207 56.400 0.095 0.000 0.762 178 E CB 1.959 31.730 29.700 0.120 0.000 1.199 178 E HN 0.578 nan 8.360 nan 0.000 0.422 179 A N 2.059 124.912 122.820 0.055 0.000 2.477 179 A HA 0.042 4.360 4.320 -0.004 0.000 0.246 179 A C -0.102 177.642 177.584 0.266 0.000 1.078 179 A CA 0.039 52.106 52.037 0.050 0.000 0.770 179 A CB 0.046 18.877 19.000 -0.282 0.000 1.011 179 A HN 0.635 nan 8.150 nan 0.000 0.494 180 D N 1.770 122.410 120.400 0.401 0.000 2.494 180 D HA 0.197 4.835 4.640 -0.004 0.000 0.217 180 D C -0.569 176.059 176.300 0.547 0.000 1.153 180 D CA -0.248 53.990 54.000 0.396 0.000 0.954 180 D CB 0.395 41.354 40.800 0.265 0.000 1.034 180 D HN 0.337 nan 8.370 nan 0.000 0.518 181 D N 4.038 124.717 120.400 0.464 0.000 2.608 181 D HA -0.015 4.622 4.640 -0.004 0.000 0.224 181 D C 1.000 177.417 176.300 0.196 0.000 1.123 181 D CA -0.507 53.666 54.000 0.288 0.000 1.030 181 D CB -0.116 40.852 40.800 0.281 0.000 1.093 181 D HN 0.586 nan 8.370 nan 0.000 0.497 182 W N 2.345 123.656 121.300 0.019 0.000 2.595 182 W HA -0.024 4.634 4.660 -0.004 0.000 0.257 182 W C 0.079 176.635 176.519 0.061 0.000 1.267 182 W CA 0.089 57.471 57.345 0.061 0.000 1.300 182 W CB -0.628 28.869 29.460 0.061 0.000 1.120 182 W HN 0.190 nan 8.180 nan 0.000 0.618 183 L N 0.959 121.839 121.223 -0.572 0.000 2.628 183 L HA 0.202 4.539 4.340 -0.004 0.000 0.229 183 L C 2.727 179.426 176.870 -0.285 0.000 1.137 183 L CA -0.125 54.351 54.840 -0.607 0.000 0.909 183 L CB -0.549 41.030 42.059 -0.800 0.000 1.137 183 L HN -0.120 nan 8.230 nan 0.000 0.470 184 R N 0.734 121.122 120.500 -0.185 0.000 2.115 184 R HA -0.229 4.108 4.340 -0.004 0.000 0.239 184 R C 1.226 177.328 176.300 -0.329 0.000 1.133 184 R CA 2.143 58.085 56.100 -0.264 0.000 0.935 184 R CB -0.226 29.880 30.300 -0.325 0.000 0.853 184 R HN 0.300 nan 8.270 nan 0.000 0.433 185 Y N -0.105 120.198 120.300 0.006 0.000 2.470 185 Y HA 0.296 4.843 4.550 -0.004 0.000 0.284 185 Y C 0.867 176.727 175.900 -0.066 0.000 1.188 185 Y CA 0.408 58.501 58.100 -0.012 0.000 1.269 185 Y CB 0.482 39.034 38.460 0.154 0.000 1.094 185 Y HN 0.476 nan 8.280 nan 0.000 0.518 186 G N 1.291 110.106 108.800 0.025 0.000 2.746 186 G HA2 -0.253 3.705 3.960 -0.004 0.000 0.685 186 G HA3 -0.253 3.705 3.960 -0.004 0.000 0.685 186 G C -1.094 173.859 174.900 0.089 0.000 1.350 186 G CA -0.755 44.336 45.100 -0.015 0.000 0.837 186 G HN 0.292 nan 8.290 nan 0.000 0.564 187 N N 1.142 119.848 118.700 0.009 0.000 2.569 187 N HA 0.534 5.271 4.740 -0.004 0.000 0.254 187 N C -0.609 174.920 175.510 0.031 0.000 1.004 187 N CA -1.925 51.157 53.050 0.052 0.000 0.904 187 N CB 1.909 40.361 38.487 -0.059 0.000 1.165 187 N HN 0.261 nan 8.380 nan 0.000 0.513 188 P HA 0.007 nan 4.420 nan 0.000 0.229 188 P C 0.641 177.701 177.300 -0.401 0.000 1.160 188 P CA 0.732 63.619 63.100 -0.355 0.000 0.777 188 P CB 0.143 31.347 31.700 -0.828 0.000 0.814 189 W N 1.934 123.279 121.300 0.076 0.000 2.523 189 W HA 0.050 4.708 4.660 -0.003 0.000 0.278 189 W C 1.383 177.951 176.519 0.082 0.000 1.236 189 W CA -0.299 57.075 57.345 0.047 0.000 1.306 189 W CB -0.384 29.094 29.460 0.030 0.000 1.101 189 W HN -0.013 nan 8.180 nan 0.000 0.577 190 E N 1.857 122.246 120.200 0.315 0.000 2.374 190 E HA 0.237 4.585 4.350 -0.004 0.000 0.260 190 E C -0.512 176.261 176.600 0.289 0.000 1.101 190 E CA -0.572 56.012 56.400 0.306 0.000 0.907 190 E CB 1.072 30.963 29.700 0.319 0.000 1.014 190 E HN -0.342 nan 8.360 nan 0.000 0.427 191 K N 1.475 122.061 120.400 0.311 0.000 2.483 191 K HA 0.400 4.718 4.320 -0.004 0.000 0.256 191 K C -1.160 175.484 176.600 0.074 0.000 0.961 191 K CA -0.550 55.862 56.287 0.209 0.000 0.873 191 K CB 1.396 34.027 32.500 0.218 0.000 1.107 191 K HN 0.659 nan 8.250 nan 0.000 0.432 192 A N 4.326 127.115 122.820 -0.051 0.000 2.498 192 A HA 0.339 4.657 4.320 -0.004 0.000 0.239 192 A C -0.276 177.110 177.584 -0.329 0.000 1.068 192 A CA -0.016 51.724 52.037 -0.494 0.000 0.766 192 A CB 0.202 18.964 19.000 -0.396 0.000 1.003 192 A HN 0.672 nan 8.150 nan 0.000 0.497 193 R N 3.159 123.436 120.500 -0.372 0.000 2.681 193 R HA 0.200 4.537 4.340 -0.004 0.000 0.277 193 R C -2.465 173.699 176.300 -0.227 0.000 1.563 193 R CA -1.448 54.508 56.100 -0.240 0.000 1.673 193 R CB 0.920 31.199 30.300 -0.034 0.000 1.258 193 R HN 0.571 nan 8.270 nan 0.000 0.650 194 P HA -0.171 nan 4.420 nan 0.000 0.221 194 P C 1.012 178.233 177.300 -0.131 0.000 1.150 194 P CA 1.053 64.072 63.100 -0.136 0.000 0.800 194 P CB 0.365 31.995 31.700 -0.116 0.000 0.787 195 E N -0.266 119.759 120.200 -0.291 0.000 2.265 195 E HA -0.155 4.193 4.350 -0.004 0.000 0.196 195 E C 0.508 176.977 176.600 -0.218 0.000 0.996 195 E CA 1.009 57.200 56.400 -0.349 0.000 0.832 195 E CB -0.789 28.547 29.700 -0.607 0.000 0.756 195 E HN 0.248 nan 8.360 nan 0.000 0.491 196 F N 1.753 121.718 119.950 0.026 0.000 2.684 196 F HA 0.292 4.817 4.527 -0.004 0.000 0.298 196 F C 0.360 176.251 175.800 0.151 0.000 1.120 196 F CA -0.827 57.217 58.000 0.073 0.000 1.332 196 F CB -0.001 39.033 39.000 0.057 0.000 0.986 196 F HN -0.293 nan 8.300 nan 0.000 0.524 197 T N 3.180 117.885 114.554 0.253 0.000 2.916 197 T HA 0.427 4.775 4.350 -0.004 0.000 0.303 197 T C 0.183 174.995 174.700 0.187 0.000 1.025 197 T CA 0.403 62.646 62.100 0.239 0.000 1.142 197 T CB 0.584 69.542 68.868 0.149 0.000 0.947 197 T HN 0.015 nan 8.240 nan 0.000 0.544 198 L N 5.099 126.402 121.223 0.134 0.000 2.333 198 L HA 0.576 4.914 4.340 -0.004 0.000 0.263 198 L C -2.285 174.546 176.870 -0.064 0.000 1.014 198 L CA -2.679 52.166 54.840 0.008 0.000 0.820 198 L CB 2.361 44.361 42.059 -0.098 0.000 1.352 198 L HN 0.383 nan 8.230 nan 0.000 0.421 199 P HA 0.264 nan 4.420 nan 0.000 0.292 199 P C -1.127 176.033 177.300 -0.234 0.000 1.287 199 P CA -0.364 62.644 63.100 -0.153 0.000 0.800 199 P CB 1.895 33.509 31.700 -0.143 0.000 0.945 200 V N 4.771 124.525 119.914 -0.267 0.000 2.495 200 V HA 0.328 4.446 4.120 -0.004 0.000 0.298 200 V C 0.310 176.152 176.094 -0.419 0.000 1.031 200 V CA -0.584 61.541 62.300 -0.293 0.000 0.871 200 V CB 1.287 32.989 31.823 -0.201 0.000 0.988 200 V HN 0.604 nan 8.190 nan 0.000 0.432 201 H N 3.829 122.710 119.070 -0.316 0.000 2.499 201 H HA 0.635 5.189 4.556 -0.004 0.000 0.340 201 H C -1.308 173.713 175.328 -0.511 0.000 1.148 201 H CA -0.175 55.626 56.048 -0.411 0.000 1.215 201 H CB 2.013 31.342 29.762 -0.722 0.000 1.529 201 H HN 0.464 nan 8.280 nan 0.000 0.510 202 F N -0.140 119.838 119.950 0.046 0.000 2.626 202 F HA 0.199 4.724 4.527 -0.004 0.000 0.311 202 F C -0.113 175.783 175.800 0.160 0.000 1.088 202 F CA -0.611 57.433 58.000 0.073 0.000 0.949 202 F CB 0.792 39.760 39.000 -0.053 0.000 1.322 202 F HN 0.572 nan 8.300 nan 0.000 0.461 203 Y N 0.248 120.825 120.300 0.460 0.000 2.865 203 Y HA -0.078 4.470 4.550 -0.004 0.000 0.468 203 Y C 1.566 177.696 175.900 0.383 0.000 1.176 203 Y CA 0.972 59.270 58.100 0.331 0.000 2.599 203 Y CB -1.921 36.660 38.460 0.202 0.000 1.207 203 Y HN 1.296 nan 8.280 nan 0.000 0.627 204 G N 0.905 109.955 108.800 0.416 0.000 2.601 204 G HA2 0.019 3.977 3.960 -0.004 0.000 0.252 204 G HA3 0.019 3.977 3.960 -0.004 0.000 0.252 204 G C -0.415 174.698 174.900 0.356 0.000 1.294 204 G CA 1.171 46.437 45.100 0.276 0.000 0.912 204 G HN 1.341 nan 8.290 nan 0.000 0.574 205 R N -2.675 118.035 120.500 0.350 0.000 2.733 205 R HA 0.675 5.012 4.340 -0.004 0.000 0.272 205 R C -1.474 174.980 176.300 0.256 0.000 1.029 205 R CA -0.897 55.362 56.100 0.265 0.000 0.888 205 R CB 1.183 31.576 30.300 0.156 0.000 1.251 205 R HN 0.916 nan 8.270 nan 0.000 0.464 206 V N 1.042 121.014 119.914 0.097 0.000 2.394 206 V HA 0.344 4.461 4.120 -0.004 0.000 0.282 206 V C -0.173 175.861 176.094 -0.100 0.000 1.031 206 V CA -0.571 61.703 62.300 -0.043 0.000 0.881 206 V CB 1.389 33.085 31.823 -0.211 0.000 0.982 206 V HN 0.672 nan 8.190 nan 0.000 0.451 207 E N 3.253 123.383 120.200 -0.117 0.000 2.151 207 E HA 0.389 4.737 4.350 -0.004 0.000 0.275 207 E C -0.941 175.553 176.600 -0.176 0.000 0.936 207 E CA -0.640 55.714 56.400 -0.077 0.000 0.777 207 E CB 0.964 30.658 29.700 -0.010 0.000 1.108 207 E HN 0.655 nan 8.360 nan 0.000 0.401 208 H N 2.808 121.894 119.070 0.026 0.000 2.685 208 H HA 0.126 4.680 4.556 -0.004 0.000 0.286 208 H C 0.564 175.901 175.328 0.014 0.000 1.102 208 H CA -0.139 55.919 56.048 0.016 0.000 1.254 208 H CB 0.962 30.728 29.762 0.007 0.000 1.397 208 H HN 0.644 nan 8.280 nan 0.000 0.473 209 T N -0.896 113.716 114.554 0.097 0.000 3.160 209 T HA 0.077 4.425 4.350 -0.004 0.000 0.251 209 T C 1.331 176.066 174.700 0.057 0.000 1.088 209 T CA -0.129 62.010 62.100 0.064 0.000 1.119 209 T CB 0.377 69.268 68.868 0.039 0.000 2.590 209 T HN 0.329 nan 8.240 nan 0.000 0.482 210 S N -0.610 115.114 115.700 0.040 0.000 2.603 210 S HA 0.245 4.712 4.470 -0.004 0.000 0.232 210 S C 0.838 175.456 174.600 0.031 0.000 1.016 210 S CA -0.433 57.787 58.200 0.033 0.000 0.976 210 S CB -0.268 62.947 63.200 0.025 0.000 0.921 210 S HN 0.533 nan 8.310 nan 0.000 0.516 211 Q N 1.194 121.014 119.800 0.033 0.000 2.157 211 Q HA 0.322 4.660 4.340 -0.004 0.000 0.229 211 Q C 0.942 176.962 176.000 0.034 0.000 0.827 211 Q CA 0.264 56.084 55.803 0.028 0.000 1.055 211 Q CB 0.838 29.589 28.738 0.021 0.000 1.157 211 Q HN 0.570 nan 8.270 nan 0.000 0.482 212 G N 1.689 110.520 108.800 0.050 0.000 2.553 212 G HA2 -0.248 3.710 3.960 -0.004 0.000 0.242 212 G HA3 -0.248 3.710 3.960 -0.004 0.000 0.242 212 G C -0.259 174.683 174.900 0.070 0.000 1.277 212 G CA -0.414 44.731 45.100 0.075 0.000 0.910 212 G HN 0.516 nan 8.290 nan 0.000 0.576 213 A N -0.043 122.807 122.820 0.050 0.000 2.322 213 A HA 0.711 5.029 4.320 -0.004 0.000 0.269 213 A C 0.433 177.970 177.584 -0.078 0.000 1.094 213 A CA 0.884 52.856 52.037 -0.109 0.000 0.807 213 A CB 0.835 19.733 19.000 -0.171 0.000 1.047 213 A HN 0.925 nan 8.150 nan 0.000 0.487 214 K N 1.003 121.344 120.400 -0.098 0.000 2.565 214 K HA 0.188 4.506 4.320 -0.004 0.000 0.249 214 K C -1.975 174.661 176.600 0.061 0.000 0.958 214 K CA -0.439 55.841 56.287 -0.011 0.000 0.806 214 K CB 1.305 33.801 32.500 -0.006 0.000 1.194 214 K HN 0.743 nan 8.250 nan 0.000 0.434 215 W N 6.465 127.688 121.300 -0.129 0.000 2.416 215 W HA 0.276 4.933 4.660 -0.004 0.000 0.318 215 W C -0.548 175.916 176.519 -0.092 0.000 1.150 215 W CA -0.635 56.642 57.345 -0.113 0.000 1.392 215 W CB -0.087 29.297 29.460 -0.126 0.000 1.311 215 W HN 0.258 nan 8.180 nan 0.000 0.436 216 V N 2.623 122.601 119.914 0.107 0.000 3.158 216 V HA 0.594 4.711 4.120 -0.004 0.000 0.315 216 V C 0.032 176.105 176.094 -0.034 0.000 1.148 216 V CA -0.912 61.371 62.300 -0.029 0.000 1.042 216 V CB 1.786 33.617 31.823 0.012 0.000 1.101 216 V HN 0.421 nan 8.190 nan 0.000 0.448 217 D N 0.107 120.487 120.400 -0.033 0.000 2.837 217 D HA -0.143 4.495 4.640 -0.004 0.000 0.230 217 D C 0.595 176.895 176.300 0.000 0.000 1.152 217 D CA 1.501 55.502 54.000 0.002 0.000 0.736 217 D CB -1.660 39.164 40.800 0.041 0.000 1.084 217 D HN 1.273 nan 8.370 nan 0.000 0.429 218 T N -2.876 111.627 114.554 -0.085 0.000 2.816 218 T HA 0.482 4.829 4.350 -0.004 0.000 0.282 218 T C 0.472 175.206 174.700 0.057 0.000 0.993 218 T CA -0.716 61.341 62.100 -0.071 0.000 0.994 218 T CB 1.799 70.461 68.868 -0.343 0.000 1.025 218 T HN 0.046 nan 8.240 nan 0.000 0.529 219 Q N 0.361 120.250 119.800 0.148 0.000 2.256 219 Q HA 0.602 4.940 4.340 -0.004 0.000 0.257 219 Q C -0.991 175.082 176.000 0.122 0.000 0.936 219 Q CA -0.939 54.960 55.803 0.160 0.000 0.903 219 Q CB 2.042 30.931 28.738 0.253 0.000 1.263 219 Q HN 0.500 nan 8.270 nan 0.000 0.440 220 V N 2.681 122.615 119.914 0.033 0.000 2.483 220 V HA 0.422 4.540 4.120 -0.004 0.000 0.295 220 V C -0.366 175.762 176.094 0.056 0.000 1.035 220 V CA -0.685 61.568 62.300 -0.079 0.000 0.896 220 V CB 1.789 33.503 31.823 -0.181 0.000 0.986 220 V HN 0.495 nan 8.190 nan 0.000 0.447 221 V N 5.793 125.774 119.914 0.110 0.000 2.487 221 V HA 0.461 4.579 4.120 -0.004 0.000 0.298 221 V C -0.137 176.051 176.094 0.157 0.000 1.028 221 V CA -0.585 61.825 62.300 0.182 0.000 0.860 221 V CB 1.768 33.778 31.823 0.312 0.000 0.991 221 V HN 0.629 nan 8.190 nan 0.000 0.427 222 L N 3.729 125.044 121.223 0.153 0.000 2.371 222 L HA 0.698 5.035 4.340 -0.004 0.000 0.272 222 L C 0.539 177.601 176.870 0.321 0.000 1.124 222 L CA -0.271 54.663 54.840 0.157 0.000 0.816 222 L CB 1.244 43.376 42.059 0.122 0.000 1.129 222 L HN 0.754 nan 8.230 nan 0.000 0.448 223 A N 5.173 128.125 122.820 0.221 0.000 2.277 223 A HA 0.545 4.862 4.320 -0.004 0.000 0.318 223 A C -0.429 177.426 177.584 0.451 0.000 1.339 223 A CA -0.474 51.715 52.037 0.252 0.000 0.875 223 A CB 0.772 19.435 19.000 -0.561 0.000 1.158 223 A HN 0.784 nan 8.150 nan 0.000 0.514 224 M N 6.090 126.014 119.600 0.539 0.000 2.080 224 M HA 0.441 4.919 4.480 -0.004 0.000 0.350 224 M C -2.580 173.993 176.300 0.456 0.000 1.173 224 M CA -2.079 53.480 55.300 0.433 0.000 1.052 224 M CB 1.736 34.510 32.600 0.290 0.000 1.577 224 M HN 0.319 nan 8.290 nan 0.000 0.455 225 P HA 0.222 nan 4.420 nan 0.000 0.284 225 P C -1.906 175.338 177.300 -0.093 0.000 1.253 225 P CA 0.027 63.047 63.100 -0.134 0.000 0.800 225 P CB 0.460 31.892 31.700 -0.447 0.000 0.961 226 Y N 0.705 120.952 120.300 -0.090 0.000 2.326 226 Y HA 0.298 4.845 4.550 -0.004 0.000 0.331 226 Y C 0.131 176.026 175.900 -0.009 0.000 0.962 226 Y CA -0.322 57.781 58.100 0.004 0.000 1.167 226 Y CB 1.216 39.709 38.460 0.056 0.000 1.148 226 Y HN 0.213 nan 8.280 nan 0.000 0.463 227 D N 2.121 122.625 120.400 0.174 0.000 2.198 227 D HA 0.410 5.048 4.640 -0.004 0.000 0.245 227 D C -0.501 176.019 176.300 0.367 0.000 1.079 227 D CA -0.140 54.002 54.000 0.237 0.000 0.854 227 D CB 1.659 42.628 40.800 0.282 0.000 1.148 227 D HN 0.363 nan 8.370 nan 0.000 0.456 228 T N 3.030 117.712 114.554 0.213 0.000 2.841 228 T HA 0.501 4.849 4.350 -0.004 0.000 0.283 228 T C -2.547 172.000 174.700 -0.256 0.000 1.000 228 T CA -1.510 60.614 62.100 0.039 0.000 0.977 228 T CB 2.125 71.016 68.868 0.040 0.000 0.979 228 T HN 0.173 nan 8.240 nan 0.000 0.446 229 P HA 0.387 nan 4.420 nan 0.000 0.279 229 P C -1.079 175.911 177.300 -0.517 0.000 1.239 229 P CA -0.455 62.006 63.100 -1.065 0.000 0.789 229 P CB 0.868 31.682 31.700 -1.477 0.000 0.933 230 V N 4.919 124.587 119.914 -0.410 0.000 2.340 230 V HA 0.264 4.381 4.120 -0.004 0.000 0.277 230 V C -2.151 173.828 176.094 -0.193 0.000 1.017 230 V CA -1.826 60.327 62.300 -0.246 0.000 0.820 230 V CB 1.520 33.240 31.823 -0.171 0.000 1.028 230 V HN 0.549 nan 8.190 nan 0.000 0.436 231 P HA 0.267 nan 4.420 nan 0.000 0.281 231 P C 0.378 177.641 177.300 -0.063 0.000 1.252 231 P CA 0.309 63.336 63.100 -0.122 0.000 0.778 231 P CB 1.673 33.295 31.700 -0.129 0.000 0.895 232 G N 2.412 111.193 108.800 -0.031 0.000 2.599 232 G HA2 0.112 4.070 3.960 -0.004 0.000 0.264 232 G HA3 0.112 4.070 3.960 -0.004 0.000 0.264 232 G C -1.143 173.782 174.900 0.042 0.000 1.200 232 G CA -0.386 44.724 45.100 0.015 0.000 0.896 232 G HN 0.469 nan 8.290 nan 0.000 0.536 233 Y N 1.844 122.114 120.300 -0.049 0.000 2.584 233 Y HA 0.227 4.775 4.550 -0.004 0.000 0.351 233 Y C 1.241 177.111 175.900 -0.049 0.000 1.030 233 Y CA -0.585 57.482 58.100 -0.056 0.000 1.332 233 Y CB 0.081 38.505 38.460 -0.059 0.000 1.148 233 Y HN 0.609 nan 8.280 nan 0.000 0.528 234 R N 2.842 123.049 120.500 -0.489 0.000 3.627 234 R HA -0.331 4.007 4.340 -0.004 0.000 0.281 234 R C -0.092 176.088 176.300 -0.200 0.000 1.140 234 R CA 1.318 57.170 56.100 -0.414 0.000 0.761 234 R CB -2.698 27.231 30.300 -0.618 0.000 1.181 234 R HN 0.969 nan 8.270 nan 0.000 0.472 235 N N -0.702 117.928 118.700 -0.117 0.000 2.171 235 N HA 0.016 4.753 4.740 -0.004 0.000 0.212 235 N C -0.140 175.330 175.510 -0.066 0.000 1.184 235 N CA -0.393 52.616 53.050 -0.068 0.000 0.888 235 N CB 0.441 38.913 38.487 -0.025 0.000 1.038 235 N HN 0.034 nan 8.380 nan 0.000 0.517 236 N N 0.004 118.662 118.700 -0.070 0.000 2.741 236 N HA -0.132 4.606 4.740 -0.004 0.000 0.251 236 N C -1.047 174.433 175.510 -0.051 0.000 1.112 236 N CA 0.522 53.538 53.050 -0.057 0.000 0.750 236 N CB -1.347 37.106 38.487 -0.057 0.000 1.119 236 N HN 0.193 nan 8.380 nan 0.000 0.561 237 V N 1.015 120.905 119.914 -0.041 0.000 2.465 237 V HA 0.445 4.562 4.120 -0.004 0.000 0.279 237 V C 0.561 176.645 176.094 -0.017 0.000 1.045 237 V CA -0.498 61.789 62.300 -0.023 0.000 0.938 237 V CB 2.147 33.983 31.823 0.021 0.000 0.986 237 V HN -0.024 nan 8.190 nan 0.000 0.467 238 V N 5.388 125.304 119.914 0.004 0.000 2.419 238 V HA 0.452 4.570 4.120 -0.004 0.000 0.287 238 V C -0.147 175.989 176.094 0.070 0.000 1.017 238 V CA -0.865 61.421 62.300 -0.025 0.000 0.844 238 V CB 1.484 33.273 31.823 -0.056 0.000 1.011 238 V HN 0.835 nan 8.190 nan 0.000 0.429 239 N N 1.950 120.645 118.700 -0.007 0.000 2.448 239 N HA 0.610 5.348 4.740 -0.004 0.000 0.274 239 N C -0.066 175.468 175.510 0.038 0.000 1.239 239 N CA -0.331 52.738 53.050 0.031 0.000 0.982 239 N CB 1.303 39.749 38.487 -0.069 0.000 1.199 239 N HN 0.599 nan 8.380 nan 0.000 0.576 240 T N 0.626 115.214 114.554 0.055 0.000 2.863 240 T HA 0.429 4.777 4.350 -0.004 0.000 0.285 240 T C -0.293 174.388 174.700 -0.032 0.000 1.009 240 T CA -0.535 61.664 62.100 0.165 0.000 0.989 240 T CB 1.181 70.278 68.868 0.382 0.000 1.004 240 T HN 0.329 nan 8.240 nan 0.000 0.455 241 M N 3.538 123.086 119.600 -0.087 0.000 2.101 241 M HA 0.519 4.997 4.480 -0.004 0.000 0.340 241 M C -0.538 175.617 176.300 -0.240 0.000 1.057 241 M CA -0.727 54.425 55.300 -0.248 0.000 0.984 241 M CB 0.776 33.176 32.600 -0.333 0.000 1.560 241 M HN 0.487 nan 8.290 nan 0.000 0.435 242 R N 5.811 126.051 120.500 -0.433 0.000 2.265 242 R HA 0.613 4.950 4.340 -0.004 0.000 0.328 242 R C -1.923 174.084 176.300 -0.489 0.000 0.969 242 R CA -0.427 55.357 56.100 -0.527 0.000 0.832 242 R CB 0.904 30.667 30.300 -0.895 0.000 1.139 242 R HN 0.828 nan 8.270 nan 0.000 0.457 243 L N 5.370 126.413 121.223 -0.299 0.000 2.333 243 L HA 0.471 4.809 4.340 -0.004 0.000 0.280 243 L C -0.862 175.971 176.870 -0.061 0.000 1.004 243 L CA -0.868 53.906 54.840 -0.110 0.000 0.820 243 L CB 1.408 43.495 42.059 0.046 0.000 1.247 243 L HN 0.600 nan 8.230 nan 0.000 0.416 244 W N 2.042 123.460 121.300 0.197 0.000 2.376 244 W HA 0.455 5.113 4.660 -0.004 0.000 0.322 244 W C 0.562 177.311 176.519 0.384 0.000 1.160 244 W CA -0.238 57.236 57.345 0.214 0.000 1.218 244 W CB 1.489 30.892 29.460 -0.095 0.000 1.205 244 W HN 0.340 nan 8.180 nan 0.000 0.559 245 S N 1.930 118.053 115.700 0.704 0.000 2.473 245 S HA 0.753 5.221 4.470 -0.004 0.000 0.307 245 S C -0.455 174.504 174.600 0.598 0.000 1.094 245 S CA -0.712 57.821 58.200 0.554 0.000 1.070 245 S CB 0.559 64.043 63.200 0.474 0.000 1.019 245 S HN 0.529 nan 8.310 nan 0.000 0.480 246 A N 5.107 128.132 122.820 0.342 0.000 2.366 246 A HA 0.692 5.010 4.320 -0.004 0.000 0.272 246 A C -0.326 177.346 177.584 0.147 0.000 1.135 246 A CA -0.320 51.803 52.037 0.144 0.000 0.804 246 A CB 0.286 19.098 19.000 -0.314 0.000 1.064 246 A HN 0.664 nan 8.150 nan 0.000 0.499 247 K N 1.043 121.547 120.400 0.172 0.000 2.426 247 K HA 0.660 4.978 4.320 -0.004 0.000 0.251 247 K C -0.385 176.273 176.600 0.095 0.000 0.941 247 K CA -0.503 55.860 56.287 0.127 0.000 0.808 247 K CB 2.114 34.699 32.500 0.142 0.000 1.265 247 K HN 0.773 nan 8.250 nan 0.000 0.432 248 A N 3.358 126.217 122.820 0.065 0.000 2.388 248 A HA 0.456 4.774 4.320 -0.004 0.000 0.257 248 A C -1.783 175.831 177.584 0.050 0.000 1.095 248 A CA -0.783 51.284 52.037 0.049 0.000 0.791 248 A CB -0.566 18.452 19.000 0.030 0.000 1.029 248 A HN 0.451 nan 8.150 nan 0.000 0.489 262 Y N 1.634 121.935 120.300 0.002 0.000 2.097 262 Y HA -0.092 4.455 4.550 -0.004 0.000 0.282 262 Y C 2.721 178.624 175.900 0.004 0.000 1.152 262 Y CA 2.396 60.498 58.100 0.003 0.000 1.136 262 Y CB -0.131 38.331 38.460 0.003 0.000 0.975 262 Y HN 0.197 nan 8.280 nan 0.000 0.498 263 I N 0.468 120.967 120.570 -0.118 0.000 2.127 263 I HA -0.307 3.861 4.170 -0.004 0.000 0.241 263 I C 2.402 178.406 176.117 -0.189 0.000 1.075 263 I CA 1.787 62.960 61.300 -0.212 0.000 1.334 263 I CB -1.525 36.455 38.000 -0.033 0.000 1.040 263 I HN 0.335 nan 8.210 nan 0.000 0.405 264 Q N 0.984 120.725 119.800 -0.098 0.000 2.124 264 Q HA -0.101 4.236 4.340 -0.004 0.000 0.202 264 Q C 2.213 178.160 176.000 -0.088 0.000 0.977 264 Q CA 2.106 57.866 55.803 -0.073 0.000 0.850 264 Q CB -0.373 28.343 28.738 -0.035 0.000 0.901 264 Q HN 0.487 nan 8.270 nan 0.000 0.429 265 A N -0.941 121.815 122.820 -0.107 0.000 1.933 265 A HA -0.113 4.205 4.320 -0.004 0.000 0.218 265 A C 2.208 179.712 177.584 -0.133 0.000 1.175 265 A CA 1.596 53.576 52.037 -0.095 0.000 0.628 265 A CB -0.573 18.388 19.000 -0.065 0.000 0.814 265 A HN 0.261 nan 8.150 nan 0.000 0.444 266 V N 0.060 119.830 119.914 -0.240 0.000 2.407 266 V HA -0.171 3.947 4.120 -0.004 0.000 0.245 266 V C 2.469 178.489 176.094 -0.124 0.000 1.041 266 V CA 1.588 63.761 62.300 -0.213 0.000 1.040 266 V CB -0.668 30.952 31.823 -0.338 0.000 0.671 266 V HN 0.562 nan 8.190 nan 0.000 0.455 267 L N -0.182 120.972 121.223 -0.115 0.000 2.131 267 L HA -0.152 4.186 4.340 -0.004 0.000 0.210 267 L C 2.051 178.893 176.870 -0.046 0.000 1.092 267 L CA 1.260 56.059 54.840 -0.067 0.000 0.759 267 L CB -0.699 41.326 42.059 -0.056 0.000 0.903 267 L HN 0.318 nan 8.230 nan 0.000 0.435 268 D N 0.100 120.470 120.400 -0.049 0.000 2.348 268 D HA -0.088 4.549 4.640 -0.004 0.000 0.216 268 D C 2.169 178.456 176.300 -0.023 0.000 0.970 268 D CA 0.505 54.486 54.000 -0.032 0.000 0.889 268 D CB -0.031 40.750 40.800 -0.031 0.000 0.912 268 D HN 0.200 nan 8.370 nan 0.000 0.524 269 R N 0.488 120.974 120.500 -0.025 0.000 2.170 269 R HA -0.095 4.243 4.340 -0.004 0.000 0.242 269 R C 1.502 177.801 176.300 -0.001 0.000 1.145 269 R CA 0.796 56.890 56.100 -0.009 0.000 0.984 269 R CB -0.143 30.151 30.300 -0.010 0.000 0.869 269 R HN 0.203 nan 8.270 nan 0.000 0.455 270 N N 0.852 119.551 118.700 -0.003 0.000 2.289 270 N HA -0.151 4.586 4.740 -0.004 0.000 0.184 270 N C 1.732 177.242 175.510 0.001 0.000 1.016 270 N CA 1.032 54.085 53.050 0.005 0.000 0.872 270 N CB -0.200 38.290 38.487 0.005 0.000 0.973 270 N HN 0.272 nan 8.380 nan 0.000 0.433 271 L N 0.537 121.756 121.223 -0.006 0.000 2.046 271 L HA -0.118 4.220 4.340 -0.004 0.000 0.208 271 L C 2.444 179.301 176.870 -0.022 0.000 1.077 271 L CA 1.334 56.167 54.840 -0.011 0.000 0.747 271 L CB -0.540 41.513 42.059 -0.011 0.000 0.896 271 L HN 0.132 nan 8.230 nan 0.000 0.432 272 A N -0.155 122.655 122.820 -0.015 0.000 1.929 272 A HA -0.165 4.153 4.320 -0.004 0.000 0.216 272 A C 2.125 179.681 177.584 -0.047 0.000 1.176 272 A CA 1.295 53.316 52.037 -0.026 0.000 0.628 272 A CB -0.348 18.659 19.000 0.012 0.000 0.816 272 A HN 0.450 nan 8.150 nan 0.000 0.444 273 E N 0.084 120.275 120.200 -0.015 0.000 2.347 273 E HA -0.100 4.248 4.350 -0.004 0.000 0.196 273 E C 1.099 177.696 176.600 -0.005 0.000 1.008 273 E CA 0.386 56.784 56.400 -0.003 0.000 0.852 273 E CB -0.139 29.579 29.700 0.030 0.000 0.783 273 E HN 0.461 nan 8.360 nan 0.000 0.505 274 N N 0.928 119.624 118.700 -0.007 0.000 2.443 274 N HA -0.101 4.637 4.740 -0.004 0.000 0.184 274 N C 1.578 177.086 175.510 -0.003 0.000 1.037 274 N CA 0.643 53.700 53.050 0.011 0.000 0.896 274 N CB -0.038 38.453 38.487 0.006 0.000 0.959 274 N HN 0.262 nan 8.380 nan 0.000 0.442 275 I N 0.303 120.820 120.570 -0.087 0.000 2.208 275 I HA -0.231 3.936 4.170 -0.004 0.000 0.245 275 I C 1.316 177.401 176.117 -0.055 0.000 1.097 275 I CA 1.179 62.395 61.300 -0.139 0.000 1.363 275 I CB -0.184 37.580 38.000 -0.393 0.000 1.051 275 I HN 0.113 nan 8.210 nan 0.000 0.413 276 S N -0.291 115.380 115.700 -0.047 0.000 2.583 276 S HA 0.182 4.650 4.470 -0.004 0.000 0.239 276 S C 1.423 176.154 174.600 0.218 0.000 0.966 276 S CA -0.528 57.733 58.200 0.101 0.000 0.973 276 S CB 0.210 63.475 63.200 0.108 0.000 0.794 276 S HN 0.225 nan 8.310 nan 0.000 0.463 277 R N 1.313 121.937 120.500 0.206 0.000 2.062 277 R HA 0.260 4.598 4.340 -0.004 0.000 0.229 277 R C 0.398 176.929 176.300 0.385 0.000 1.128 277 R CA 1.142 57.403 56.100 0.268 0.000 0.960 277 R CB -0.245 30.176 30.300 0.202 0.000 0.855 277 R HN 0.390 nan 8.270 nan 0.000 0.432 278 V N 0.341 120.429 119.914 0.290 0.000 2.932 278 V HA 0.357 4.474 4.120 -0.004 0.000 0.307 278 V C -1.536 174.499 176.094 -0.098 0.000 1.147 278 V CA -1.385 61.016 62.300 0.169 0.000 0.951 278 V CB 1.767 33.627 31.823 0.061 0.000 1.031 278 V HN 0.178 nan 8.190 nan 0.000 0.426 279 L N 6.464 127.402 121.223 -0.475 0.000 2.410 279 L HA 0.432 4.770 4.340 -0.004 0.000 0.273 279 L C -0.838 175.841 176.870 -0.319 0.000 1.152 279 L CA 0.523 54.851 54.840 -0.854 0.000 0.855 279 L CB 0.401 41.909 42.059 -0.919 0.000 1.129 279 L HN 0.672 nan 8.230 nan 0.000 0.463 280 Y N 6.615 126.831 120.300 -0.140 0.000 2.465 280 Y HA 0.223 4.770 4.550 -0.004 0.000 0.331 280 Y C -1.407 174.486 175.900 -0.012 0.000 1.102 280 Y CA -1.205 56.886 58.100 -0.017 0.000 1.358 280 Y CB 0.444 38.925 38.460 0.034 0.000 1.213 280 Y HN 0.562 nan 8.280 nan 0.000 0.525 281 P HA 0.052 nan 4.420 nan 0.000 0.236 281 P C -0.851 176.573 177.300 0.207 0.000 1.709 281 P CA 0.060 63.263 63.100 0.173 0.000 0.942 281 P CB 0.076 31.955 31.700 0.298 0.000 1.615 282 N N 1.037 119.861 118.700 0.207 0.000 2.508 282 N HA 0.227 4.965 4.740 -0.004 0.000 0.285 282 N C -0.690 174.947 175.510 0.213 0.000 1.144 282 N CA 0.144 53.325 53.050 0.217 0.000 0.978 282 N CB 1.042 39.685 38.487 0.261 0.000 1.180 282 N HN 0.044 nan 8.380 nan 0.000 0.484 283 D N -0.052 120.501 120.400 0.255 0.000 2.542 283 D HA 0.296 4.934 4.640 -0.004 0.000 0.252 283 D C -1.127 175.363 176.300 0.317 0.000 1.222 283 D CA -0.382 53.770 54.000 0.253 0.000 0.895 283 D CB 0.088 41.029 40.800 0.236 0.000 1.207 283 D HN 0.433 nan 8.370 nan 0.000 0.558 284 N N 2.607 121.467 118.700 0.267 0.000 2.727 284 N HA -0.228 4.509 4.740 -0.004 0.000 0.251 284 N C -1.528 174.191 175.510 0.348 0.000 1.040 284 N CA 0.766 53.962 53.050 0.244 0.000 0.712 284 N CB -0.978 37.622 38.487 0.188 0.000 0.912 284 N HN 0.358 nan 8.380 nan 0.000 0.545 285 F N 0.579 120.616 119.950 0.145 0.000 2.670 285 F HA 0.422 4.947 4.527 -0.004 0.000 0.332 285 F C -1.575 174.295 175.800 0.116 0.000 1.179 285 F CA -1.188 56.880 58.000 0.114 0.000 1.076 285 F CB 0.881 39.919 39.000 0.062 0.000 1.322 285 F HN -0.019 nan 8.300 nan 0.000 0.515 286 F N 6.575 126.193 119.950 -0.552 0.000 2.405 286 F HA 0.469 4.993 4.527 -0.004 0.000 0.355 286 F C -0.515 175.006 175.800 -0.466 0.000 1.121 286 F CA -0.304 57.444 58.000 -0.421 0.000 1.112 286 F CB 0.864 39.617 39.000 -0.412 0.000 1.126 286 F HN 0.561 nan 8.300 nan 0.000 0.481 287 E N 4.556 124.207 120.200 -0.915 0.000 2.182 287 E HA 0.371 4.719 4.350 -0.004 0.000 0.258 287 E C -0.004 175.910 176.600 -1.143 0.000 0.879 287 E CA -0.816 55.133 56.400 -0.753 0.000 0.754 287 E CB 1.204 30.804 29.700 -0.166 0.000 1.162 287 E HN 0.900 nan 8.360 nan 0.000 0.419 288 G N 5.246 113.324 108.800 -1.203 0.000 3.325 288 G HA2 -0.043 3.914 3.960 -0.004 0.000 0.242 288 G HA3 -0.043 3.914 3.960 -0.004 0.000 0.242 288 G C 0.092 174.967 174.900 -0.043 0.000 1.120 288 G CA -0.236 44.401 45.100 -0.772 0.000 1.778 288 G HN 0.258 nan 8.290 nan 0.000 0.610 289 K N 0.717 121.086 120.400 -0.051 0.000 2.379 289 K HA 0.069 4.387 4.320 -0.004 0.000 0.284 289 K C 1.155 177.862 176.600 0.179 0.000 1.044 289 K CA -0.296 56.026 56.287 0.058 0.000 0.974 289 K CB 1.640 34.102 32.500 -0.064 0.000 0.962 289 K HN 0.501 nan 8.250 nan 0.000 0.474 290 E N 2.475 122.757 120.200 0.137 0.000 2.085 290 E HA -0.224 4.123 4.350 -0.004 0.000 0.194 290 E C 1.506 178.123 176.600 0.028 0.000 0.994 290 E CA 0.937 57.372 56.400 0.059 0.000 0.801 290 E CB 0.137 29.878 29.700 0.067 0.000 0.743 290 E HN 0.430 nan 8.360 nan 0.000 0.453 291 L N 1.332 122.616 121.223 0.102 0.000 2.079 291 L HA -0.180 4.158 4.340 -0.004 0.000 0.210 291 L C 2.441 179.426 176.870 0.191 0.000 1.081 291 L CA 1.787 56.711 54.840 0.141 0.000 0.752 291 L CB -0.534 41.669 42.059 0.240 0.000 0.896 291 L HN 0.025 nan 8.230 nan 0.000 0.433 292 R N -0.475 120.123 120.500 0.164 0.000 2.081 292 R HA -0.156 4.181 4.340 -0.004 0.000 0.235 292 R C 2.117 178.500 176.300 0.138 0.000 1.131 292 R CA 1.917 58.095 56.100 0.131 0.000 0.960 292 R CB -1.148 29.042 30.300 -0.183 0.000 0.856 292 R HN 0.424 nan 8.270 nan 0.000 0.436 293 L N 0.924 122.113 121.223 -0.057 0.000 2.046 293 L HA -0.107 4.231 4.340 -0.004 0.000 0.208 293 L C 1.692 178.515 176.870 -0.079 0.000 1.077 293 L CA 1.947 56.553 54.840 -0.390 0.000 0.747 293 L CB -0.413 41.075 42.059 -0.952 0.000 0.896 293 L HN 0.161 nan 8.230 nan 0.000 0.432 294 K N -1.013 119.382 120.400 -0.008 0.000 2.057 294 K HA -0.191 4.126 4.320 -0.004 0.000 0.207 294 K C 2.104 178.878 176.600 0.289 0.000 1.049 294 K CA 1.718 58.074 56.287 0.115 0.000 0.931 294 K CB -0.241 32.127 32.500 -0.219 0.000 0.714 294 K HN 0.490 nan 8.250 nan 0.000 0.440 295 Q N 0.789 120.731 119.800 0.236 0.000 2.096 295 Q HA -0.214 4.124 4.340 -0.004 0.000 0.204 295 Q C 2.002 178.221 176.000 0.365 0.000 0.982 295 Q CA 1.572 57.569 55.803 0.324 0.000 0.850 295 Q CB -0.039 28.914 28.738 0.359 0.000 0.901 295 Q HN 0.385 nan 8.270 nan 0.000 0.422 296 E N -0.331 120.044 120.200 0.291 0.000 2.051 296 E HA -0.216 4.132 4.350 -0.004 0.000 0.192 296 E C 1.754 178.492 176.600 0.229 0.000 0.991 296 E CA 1.135 57.691 56.400 0.259 0.000 0.799 296 E CB -0.152 29.685 29.700 0.227 0.000 0.748 296 E HN 0.327 nan 8.360 nan 0.000 0.449 297 Y N 0.319 120.687 120.300 0.114 0.000 2.263 297 Y HA -0.211 4.336 4.550 -0.004 0.000 0.292 297 Y C 1.958 177.907 175.900 0.080 0.000 1.130 297 Y CA 1.151 59.270 58.100 0.031 0.000 1.179 297 Y CB -0.369 38.071 38.460 -0.034 0.000 0.998 297 Y HN 0.044 nan 8.280 nan 0.000 0.532 298 F N -0.114 119.832 119.950 -0.007 0.000 2.095 298 F HA -0.244 4.281 4.527 -0.004 0.000 0.298 298 F C 2.102 177.759 175.800 -0.238 0.000 1.104 298 F CA 2.110 60.041 58.000 -0.115 0.000 1.232 298 F CB -0.896 38.198 39.000 0.158 0.000 0.987 298 F HN -0.119 nan 8.300 nan 0.000 0.475 299 V N -0.223 119.656 119.914 -0.058 0.000 2.295 299 V HA -0.307 3.810 4.120 -0.004 0.000 0.246 299 V C 2.451 178.428 176.094 -0.195 0.000 1.049 299 V CA 1.734 63.987 62.300 -0.079 0.000 1.024 299 V CB -0.958 30.999 31.823 0.224 0.000 0.648 299 V HN 0.316 nan 8.190 nan 0.000 0.447 300 V N 0.144 119.956 119.914 -0.171 0.000 2.295 300 V HA -0.255 3.863 4.120 -0.004 0.000 0.246 300 V C 2.691 178.562 176.094 -0.373 0.000 1.049 300 V CA 2.127 64.311 62.300 -0.194 0.000 1.024 300 V CB -1.034 30.736 31.823 -0.088 0.000 0.648 300 V HN 0.564 nan 8.190 nan 0.000 0.447 301 A N -0.241 122.182 122.820 -0.662 0.000 1.873 301 A HA -0.080 4.237 4.320 -0.004 0.000 0.215 301 A C 2.398 179.646 177.584 -0.559 0.000 1.186 301 A CA 2.066 53.716 52.037 -0.644 0.000 0.616 301 A CB -0.781 17.631 19.000 -0.980 0.000 0.823 301 A HN 0.561 nan 8.150 nan 0.000 0.442 302 A N -1.007 121.322 122.820 -0.819 0.000 1.898 302 A HA -0.049 4.269 4.320 -0.004 0.000 0.216 302 A C 2.305 179.492 177.584 -0.662 0.000 1.181 302 A CA 2.227 53.617 52.037 -1.077 0.000 0.620 302 A CB -1.298 16.393 19.000 -2.182 0.000 0.819 302 A HN 0.423 nan 8.150 nan 0.000 0.442 303 T N 0.394 114.699 114.554 -0.416 0.000 2.684 303 T HA -0.138 4.210 4.350 -0.004 0.000 0.267 303 T C 1.671 176.143 174.700 -0.381 0.000 1.036 303 T CA 1.688 63.631 62.100 -0.262 0.000 1.148 303 T CB -0.343 68.342 68.868 -0.304 0.000 0.863 303 T HN 0.218 nan 8.240 nan 0.000 0.436 304 L N 0.954 121.991 121.223 -0.309 0.000 2.275 304 L HA 0.003 4.341 4.340 -0.004 0.000 0.215 304 L C 2.583 179.350 176.870 -0.171 0.000 1.119 304 L CA 1.404 56.100 54.840 -0.241 0.000 0.790 304 L CB -0.698 41.263 42.059 -0.165 0.000 0.919 304 L HN 0.287 nan 8.230 nan 0.000 0.443 305 Q N -0.860 118.840 119.800 -0.166 0.000 2.119 305 Q HA -0.199 4.139 4.340 -0.004 0.000 0.201 305 Q C 1.713 177.686 176.000 -0.044 0.000 0.972 305 Q CA 1.391 57.142 55.803 -0.087 0.000 0.847 305 Q CB -0.063 28.617 28.738 -0.097 0.000 0.903 305 Q HN 0.412 nan 8.270 nan 0.000 0.433 306 D N 0.618 120.990 120.400 -0.047 0.000 2.104 306 D HA -0.139 4.498 4.640 -0.004 0.000 0.194 306 D C 1.720 177.964 176.300 -0.092 0.000 0.994 306 D CA 1.005 55.008 54.000 0.006 0.000 0.830 306 D CB -0.088 40.797 40.800 0.142 0.000 0.959 306 D HN 0.194 nan 8.370 nan 0.000 0.452 307 I N 0.540 120.946 120.570 -0.274 0.000 2.179 307 I HA -0.237 3.930 4.170 -0.004 0.000 0.242 307 I C 2.172 178.292 176.117 0.005 0.000 1.088 307 I CA 0.573 61.647 61.300 -0.376 0.000 1.357 307 I CB -0.106 37.502 38.000 -0.652 0.000 1.051 307 I HN 0.042 nan 8.210 nan 0.000 0.409 308 I N 0.569 121.204 120.570 0.109 0.000 2.252 308 I HA -0.266 3.901 4.170 -0.004 0.000 0.245 308 I C 2.677 178.954 176.117 0.268 0.000 1.102 308 I CA 1.473 62.959 61.300 0.310 0.000 1.385 308 I CB -1.228 36.904 38.000 0.221 0.000 1.064 308 I HN 0.326 nan 8.210 nan 0.000 0.414 309 R N 1.150 121.729 120.500 0.132 0.000 2.073 309 R HA -0.153 4.185 4.340 -0.004 0.000 0.234 309 R C 2.485 178.831 176.300 0.076 0.000 1.134 309 R CA 1.367 57.519 56.100 0.087 0.000 0.952 309 R CB -0.130 30.192 30.300 0.038 0.000 0.850 309 R HN 0.242 nan 8.270 nan 0.000 0.433 310 R N -0.402 120.140 120.500 0.070 0.000 2.091 310 R HA -0.178 4.159 4.340 -0.004 0.000 0.238 310 R C 2.251 178.619 176.300 0.113 0.000 1.136 310 R CA 1.686 57.828 56.100 0.070 0.000 0.959 310 R CB -0.578 29.759 30.300 0.063 0.000 0.856 310 R HN 0.280 nan 8.270 nan 0.000 0.437 311 F N 2.274 122.233 119.950 0.016 0.000 2.095 311 F HA -0.199 4.325 4.527 -0.004 0.000 0.298 311 F C 1.919 177.709 175.800 -0.017 0.000 1.104 311 F CA 1.593 59.591 58.000 -0.004 0.000 1.232 311 F CB -0.147 38.890 39.000 0.060 0.000 0.987 311 F HN -0.195 nan 8.300 nan 0.000 0.475 312 K N 0.155 120.469 120.400 -0.144 0.000 2.152 312 K HA -0.068 4.249 4.320 -0.004 0.000 0.206 312 K C 1.163 177.630 176.600 -0.222 0.000 1.048 312 K CA 1.066 57.185 56.287 -0.280 0.000 0.933 312 K CB -0.295 32.169 32.500 -0.059 0.000 0.721 312 K HN 0.185 nan 8.250 nan 0.000 0.447 325 N N 2.642 121.346 118.700 0.007 0.000 2.030 325 N HA 0.002 4.739 4.740 -0.004 0.000 0.194 325 N C 1.411 177.032 175.510 0.185 0.000 1.074 325 N CA 1.787 54.834 53.050 -0.005 0.000 0.860 325 N CB -1.341 36.976 38.487 -0.283 0.000 1.055 325 N HN 0.397 nan 8.380 nan 0.000 0.429 326 F N 1.687 121.834 119.950 0.328 0.000 2.271 326 F HA -0.135 4.390 4.527 -0.004 0.000 0.302 326 F C 2.026 177.891 175.800 0.109 0.000 1.063 326 F CA 1.260 59.358 58.000 0.163 0.000 1.362 326 F CB -0.590 38.398 39.000 -0.021 0.000 1.060 326 F HN 0.087 nan 8.300 nan 0.000 0.521 327 D N 0.189 120.726 120.400 0.229 0.000 2.123 327 D HA -0.165 4.473 4.640 -0.004 0.000 0.196 327 D C 2.230 178.617 176.300 0.145 0.000 0.992 327 D CA 1.587 55.677 54.000 0.151 0.000 0.833 327 D CB -0.428 40.437 40.800 0.108 0.000 0.954 327 D HN 0.302 nan 8.370 nan 0.000 0.455 328 A N -0.486 122.443 122.820 0.182 0.000 2.251 328 A HA 0.040 4.358 4.320 -0.004 0.000 0.209 328 A C 1.679 179.357 177.584 0.157 0.000 1.187 328 A CA -0.243 51.895 52.037 0.168 0.000 0.823 328 A CB -0.730 18.384 19.000 0.189 0.000 0.846 328 A HN 0.148 nan 8.150 nan 0.000 0.486 329 F N 2.185 122.062 119.950 -0.121 0.000 2.091 329 F HA -0.123 4.402 4.527 -0.004 0.000 0.299 329 F C -0.723 174.943 175.800 -0.223 0.000 1.103 329 F CA 2.392 60.098 58.000 -0.490 0.000 1.228 329 F CB -0.544 38.129 39.000 -0.545 0.000 0.984 329 F HN 0.210 nan 8.300 nan 0.000 0.477 330 P HA -0.085 nan 4.420 nan 0.000 0.226 330 P C 0.656 177.926 177.300 -0.050 0.000 1.153 330 P CA 1.368 64.461 63.100 -0.012 0.000 0.777 330 P CB -0.128 31.580 31.700 0.014 0.000 0.794 331 D N -0.429 119.954 120.400 -0.028 0.000 2.323 331 D HA -0.027 4.611 4.640 -0.004 0.000 0.209 331 D C 1.484 177.769 176.300 -0.025 0.000 0.973 331 D CA 0.850 54.843 54.000 -0.012 0.000 0.874 331 D CB 0.121 40.932 40.800 0.018 0.000 0.930 331 D HN 0.198 nan 8.370 nan 0.000 0.521 332 K N 0.152 120.510 120.400 -0.069 0.000 2.402 332 K HA 0.210 4.528 4.320 -0.004 0.000 0.203 332 K C -0.072 176.439 176.600 -0.148 0.000 1.077 332 K CA 0.067 56.318 56.287 -0.059 0.000 1.051 332 K CB 2.465 35.011 32.500 0.076 0.000 0.907 332 K HN -0.059 nan 8.250 nan 0.000 0.554 333 V N 1.020 120.772 119.914 -0.271 0.000 2.686 333 V HA 0.604 4.722 4.120 -0.004 0.000 0.306 333 V C -1.103 174.931 176.094 -0.099 0.000 1.065 333 V CA -1.204 60.945 62.300 -0.253 0.000 0.894 333 V CB 1.855 33.246 31.823 -0.719 0.000 1.004 333 V HN 0.119 nan 8.190 nan 0.000 0.424 334 A N 5.495 128.311 122.820 -0.008 0.000 2.343 334 A HA 0.904 5.221 4.320 -0.004 0.000 0.308 334 A C -1.011 176.625 177.584 0.088 0.000 1.092 334 A CA -0.436 51.626 52.037 0.041 0.000 0.751 334 A CB 0.989 19.965 19.000 -0.040 0.000 1.203 334 A HN 0.770 nan 8.150 nan 0.000 0.452 335 I N 2.009 122.665 120.570 0.144 0.000 2.354 335 I HA 0.277 4.445 4.170 -0.004 0.000 0.286 335 I C -0.242 175.978 176.117 0.172 0.000 1.007 335 I CA -0.472 60.920 61.300 0.155 0.000 1.167 335 I CB 1.835 39.901 38.000 0.109 0.000 1.320 335 I HN 0.716 nan 8.210 nan 0.000 0.458 336 Q N 7.077 126.982 119.800 0.174 0.000 2.314 336 Q HA 0.487 4.825 4.340 -0.004 0.000 0.259 336 Q C -1.321 174.702 176.000 0.038 0.000 0.951 336 Q CA -0.279 55.659 55.803 0.226 0.000 0.909 336 Q CB 1.213 30.219 28.738 0.446 0.000 1.236 336 Q HN 0.559 nan 8.270 nan 0.000 0.444 337 L N 3.709 124.991 121.223 0.099 0.000 2.261 337 L HA 0.400 4.737 4.340 -0.004 0.000 0.289 337 L C 0.078 176.999 176.870 0.085 0.000 1.059 337 L CA -0.762 54.123 54.840 0.075 0.000 0.816 337 L CB 0.509 42.650 42.059 0.137 0.000 1.191 337 L HN 0.551 nan 8.230 nan 0.000 0.431 338 N N 4.508 123.177 118.700 -0.051 0.000 2.415 338 N HA 0.057 4.794 4.740 -0.004 0.000 0.250 338 N C -0.128 175.426 175.510 0.073 0.000 1.127 338 N CA 0.550 53.635 53.050 0.058 0.000 0.945 338 N CB -0.007 38.437 38.487 -0.072 0.000 1.196 338 N HN 0.644 nan 8.380 nan 0.000 0.499 339 D N 0.120 120.647 120.400 0.212 0.000 4.658 339 D HA -0.222 4.416 4.640 -0.004 0.000 0.304 339 D C 0.255 176.608 176.300 0.088 0.000 2.363 339 D CA 1.467 55.523 54.000 0.092 0.000 1.179 339 D CB -0.449 40.059 40.800 -0.487 0.000 1.091 339 D HN 0.546 nan 8.370 nan 0.000 1.274 340 T N -2.340 112.190 114.554 -0.040 0.000 3.129 340 T HA 0.078 4.426 4.350 -0.004 0.000 0.251 340 T C 1.623 176.381 174.700 0.097 0.000 1.117 340 T CA 1.491 63.574 62.100 -0.027 0.000 1.034 340 T CB -0.476 68.355 68.868 -0.062 0.000 0.968 340 T HN 0.501 nan 8.240 nan 0.000 0.526 341 H N 2.765 121.936 119.070 0.169 0.000 2.321 341 H HA -0.030 4.524 4.556 -0.004 0.000 0.295 341 H C -0.795 174.641 175.328 0.180 0.000 1.102 341 H CA 1.271 57.438 56.048 0.199 0.000 1.266 341 H CB -1.013 28.865 29.762 0.193 0.000 1.363 341 H HN 0.437 nan 8.280 nan 0.000 0.492 342 P HA 0.079 nan 4.420 nan 0.000 0.259 342 P C 0.606 177.966 177.300 0.100 0.000 1.530 342 P CA 0.402 63.598 63.100 0.160 0.000 1.022 342 P CB 0.305 32.086 31.700 0.134 0.000 1.514 343 S N -0.374 115.374 115.700 0.080 0.000 2.469 343 S HA -0.098 4.369 4.470 -0.004 0.000 0.238 343 S C 1.752 176.370 174.600 0.030 0.000 0.998 343 S CA 0.645 58.851 58.200 0.011 0.000 0.957 343 S CB -1.437 61.734 63.200 -0.049 0.000 0.764 343 S HN 0.138 nan 8.310 nan 0.000 0.514 344 L N 1.002 122.263 121.223 0.063 0.000 2.450 344 L HA 0.001 4.339 4.340 -0.004 0.000 0.224 344 L C 2.922 179.847 176.870 0.092 0.000 1.149 344 L CA 0.680 55.560 54.840 0.066 0.000 0.816 344 L CB -0.776 41.319 42.059 0.061 0.000 0.932 344 L HN 0.459 nan 8.230 nan 0.000 0.449 345 A N 0.558 123.414 122.820 0.060 0.000 1.978 345 A HA -0.207 4.111 4.320 -0.004 0.000 0.220 345 A C 2.196 179.795 177.584 0.025 0.000 1.170 345 A CA 1.563 53.620 52.037 0.033 0.000 0.636 345 A CB -0.500 18.509 19.000 0.014 0.000 0.810 345 A HN 0.366 nan 8.150 nan 0.000 0.448 346 I N 0.276 120.861 120.570 0.026 0.000 2.090 346 I HA -0.160 4.008 4.170 -0.004 0.000 0.236 346 I C -0.376 175.770 176.117 0.048 0.000 1.064 346 I CA 1.694 63.008 61.300 0.023 0.000 1.324 346 I CB -0.943 37.076 38.000 0.031 0.000 1.044 346 I HN 0.239 nan 8.210 nan 0.000 0.399 347 P HA -0.182 nan 4.420 nan 0.000 0.218 347 P C 1.309 178.632 177.300 0.039 0.000 1.149 347 P CA 1.513 64.650 63.100 0.063 0.000 0.817 347 P CB 0.007 31.768 31.700 0.101 0.000 0.785 348 E N 0.083 120.380 120.200 0.161 0.000 2.072 348 E HA -0.157 4.191 4.350 -0.004 0.000 0.191 348 E C 1.928 178.518 176.600 -0.016 0.000 0.985 348 E CA 0.723 57.227 56.400 0.173 0.000 0.801 348 E CB -1.188 28.674 29.700 0.270 0.000 0.750 348 E HN -0.007 nan 8.360 nan 0.000 0.452 349 L N -0.047 121.138 121.223 -0.063 0.000 2.017 349 L HA -0.112 4.226 4.340 -0.004 0.000 0.208 349 L C 2.141 178.873 176.870 -0.229 0.000 1.073 349 L CA 1.760 56.504 54.840 -0.161 0.000 0.745 349 L CB -0.521 41.442 42.059 -0.160 0.000 0.894 349 L HN 0.249 nan 8.230 nan 0.000 0.432 350 M N -0.843 118.636 119.600 -0.201 0.000 2.117 350 M HA -0.220 4.258 4.480 -0.004 0.000 0.262 350 M C 2.425 178.565 176.300 -0.267 0.000 1.065 350 M CA 1.570 56.697 55.300 -0.290 0.000 1.114 350 M CB -1.242 31.151 32.600 -0.344 0.000 1.361 350 M HN 0.340 nan 8.290 nan 0.000 0.408 351 R N 0.152 120.517 120.500 -0.224 0.000 2.080 351 R HA -0.131 4.207 4.340 -0.004 0.000 0.236 351 R C 2.077 178.274 176.300 -0.171 0.000 1.137 351 R CA 1.720 57.688 56.100 -0.220 0.000 0.943 351 R CB -0.227 29.877 30.300 -0.327 0.000 0.846 351 R HN 0.200 nan 8.270 nan 0.000 0.431 352 V N 1.557 121.373 119.914 -0.165 0.000 2.261 352 V HA -0.266 3.852 4.120 -0.004 0.000 0.246 352 V C 2.450 178.390 176.094 -0.258 0.000 1.047 352 V CA 1.852 64.050 62.300 -0.169 0.000 1.015 352 V CB -0.438 31.290 31.823 -0.159 0.000 0.642 352 V HN 0.352 nan 8.190 nan 0.000 0.446 353 L N -0.662 120.341 121.223 -0.366 0.000 2.083 353 L HA -0.138 4.200 4.340 -0.004 0.000 0.209 353 L C 2.352 179.033 176.870 -0.316 0.000 1.083 353 L CA 1.087 55.636 54.840 -0.484 0.000 0.752 353 L CB -0.554 41.168 42.059 -0.562 0.000 0.899 353 L HN 0.213 nan 8.230 nan 0.000 0.433 354 V N -0.711 119.068 119.914 -0.226 0.000 2.300 354 V HA -0.167 3.951 4.120 -0.004 0.000 0.241 354 V C 1.946 177.997 176.094 -0.071 0.000 1.034 354 V CA 1.622 63.852 62.300 -0.117 0.000 1.021 354 V CB -0.328 31.461 31.823 -0.057 0.000 0.662 354 V HN 0.339 nan 8.190 nan 0.000 0.458 355 D N 0.073 120.429 120.400 -0.074 0.000 2.149 355 D HA -0.009 4.629 4.640 -0.004 0.000 0.201 355 D C 1.988 178.263 176.300 -0.042 0.000 0.972 355 D CA 1.194 55.168 54.000 -0.044 0.000 0.835 355 D CB 0.087 40.859 40.800 -0.047 0.000 0.966 355 D HN 0.341 nan 8.370 nan 0.000 0.476 356 L N 0.072 121.256 121.223 -0.066 0.000 2.425 356 L HA 0.157 4.494 4.340 -0.004 0.000 0.215 356 L C 1.687 178.528 176.870 -0.048 0.000 1.065 356 L CA 0.416 55.228 54.840 -0.046 0.000 0.842 356 L CB 0.133 42.166 42.059 -0.042 0.000 1.033 356 L HN -0.185 nan 8.230 nan 0.000 0.474 357 E N 0.290 120.426 120.200 -0.108 0.000 2.472 357 E HA 0.077 4.424 4.350 -0.004 0.000 0.196 357 E C -0.037 176.528 176.600 -0.058 0.000 1.033 357 E CA -0.119 56.225 56.400 -0.094 0.000 0.886 357 E CB 0.472 29.994 29.700 -0.297 0.000 0.944 357 E HN 0.165 nan 8.360 nan 0.000 0.492 358 R N 0.318 120.780 120.500 -0.063 0.000 3.531 358 R HA -0.154 4.184 4.340 -0.004 0.000 0.280 358 R C -0.168 176.116 176.300 -0.026 0.000 1.130 358 R CA 0.379 56.464 56.100 -0.025 0.000 0.757 358 R CB -2.858 27.447 30.300 0.009 0.000 1.218 358 R HN 0.223 nan 8.270 nan 0.000 0.454 359 L N 1.576 122.751 121.223 -0.080 0.000 2.399 359 L HA 0.239 4.577 4.340 -0.004 0.000 0.266 359 L C 1.431 178.293 176.870 -0.015 0.000 1.114 359 L CA -0.480 54.323 54.840 -0.061 0.000 0.804 359 L CB 0.680 42.650 42.059 -0.149 0.000 1.146 359 L HN 0.149 nan 8.230 nan 0.000 0.451 360 D N 0.438 120.854 120.400 0.028 0.000 2.362 360 D HA -0.125 4.513 4.640 -0.004 0.000 0.242 360 D C 0.843 177.213 176.300 0.118 0.000 1.132 360 D CA -0.525 53.526 54.000 0.085 0.000 0.907 360 D CB 1.337 42.193 40.800 0.092 0.000 1.195 360 D HN 0.666 nan 8.370 nan 0.000 0.429 361 W N 2.166 123.467 121.300 0.003 0.000 2.302 361 W HA -0.247 4.411 4.660 -0.004 0.000 0.320 361 W C 1.010 177.574 176.519 0.075 0.000 1.241 361 W CA 2.003 59.358 57.345 0.017 0.000 1.264 361 W CB -0.284 29.167 29.460 -0.014 0.000 1.154 361 W HN 0.459 nan 8.180 nan 0.000 0.483 362 D N 0.364 120.972 120.400 0.346 0.000 2.092 362 D HA -0.231 4.407 4.640 -0.004 0.000 0.193 362 D C 1.886 178.281 176.300 0.157 0.000 0.994 362 D CA 2.305 56.475 54.000 0.283 0.000 0.828 362 D CB -0.602 40.334 40.800 0.225 0.000 0.963 362 D HN 0.090 nan 8.370 nan 0.000 0.450 363 K N 1.388 121.842 120.400 0.090 0.000 2.057 363 K HA -0.063 4.254 4.320 -0.004 0.000 0.207 363 K C 1.864 178.447 176.600 -0.028 0.000 1.049 363 K CA 1.702 58.013 56.287 0.039 0.000 0.931 363 K CB -0.634 31.888 32.500 0.036 0.000 0.714 363 K HN 0.024 nan 8.250 nan 0.000 0.440 364 A N 0.620 123.385 122.820 -0.091 0.000 1.908 364 A HA -0.188 4.130 4.320 -0.004 0.000 0.218 364 A C 2.280 179.755 177.584 -0.181 0.000 1.181 364 A CA 1.543 53.454 52.037 -0.211 0.000 0.627 364 A CB -1.277 17.540 19.000 -0.306 0.000 0.818 364 A HN 0.717 nan 8.150 nan 0.000 0.445 365 W N 0.781 121.861 121.300 -0.367 0.000 2.388 365 W HA -0.160 4.498 4.660 -0.004 0.000 0.294 365 W C 1.934 178.386 176.519 -0.112 0.000 1.212 365 W CA 1.740 58.913 57.345 -0.286 0.000 1.271 365 W CB -0.056 29.255 29.460 -0.249 0.000 1.126 365 W HN 0.648 nan 8.180 nan 0.000 0.535 366 E N 0.236 120.396 120.200 -0.066 0.000 2.106 366 E HA -0.201 4.147 4.350 -0.004 0.000 0.192 366 E C 2.009 178.513 176.600 -0.160 0.000 0.984 366 E CA 1.707 58.038 56.400 -0.115 0.000 0.806 366 E CB -0.340 29.359 29.700 -0.002 0.000 0.750 366 E HN 0.049 nan 8.360 nan 0.000 0.458 367 V N 0.896 120.729 119.914 -0.136 0.000 2.261 367 V HA -0.270 3.848 4.120 -0.004 0.000 0.246 367 V C 2.432 178.438 176.094 -0.148 0.000 1.047 367 V CA 2.249 64.484 62.300 -0.108 0.000 1.015 367 V CB -0.887 30.850 31.823 -0.142 0.000 0.642 367 V HN 0.401 nan 8.190 nan 0.000 0.446 368 T N -0.032 114.364 114.554 -0.264 0.000 2.684 368 T HA -0.200 4.148 4.350 -0.004 0.000 0.267 368 T C 1.932 176.436 174.700 -0.325 0.000 1.036 368 T CA 1.823 63.746 62.100 -0.294 0.000 1.148 368 T CB -0.328 68.309 68.868 -0.385 0.000 0.863 368 T HN 0.246 nan 8.240 nan 0.000 0.436 369 V N 1.155 120.751 119.914 -0.530 0.000 2.407 369 V HA -0.161 3.957 4.120 -0.004 0.000 0.248 369 V C 2.362 178.407 176.094 -0.082 0.000 1.055 369 V CA 1.657 63.717 62.300 -0.399 0.000 1.049 369 V CB -0.434 31.059 31.823 -0.550 0.000 0.662 369 V HN 0.458 nan 8.190 nan 0.000 0.455 370 K N -0.657 119.681 120.400 -0.104 0.000 2.288 370 K HA -0.077 4.241 4.320 -0.004 0.000 0.201 370 K C 2.070 178.660 176.600 -0.016 0.000 1.048 370 K CA 1.474 57.688 56.287 -0.122 0.000 0.956 370 K CB -0.169 32.248 32.500 -0.138 0.000 0.746 370 K HN 0.469 nan 8.250 nan 0.000 0.461 371 T N 0.193 114.788 114.554 0.068 0.000 2.937 371 T HA 0.006 4.353 4.350 -0.004 0.000 0.260 371 T C 0.932 175.751 174.700 0.198 0.000 1.051 371 T CA 0.441 62.620 62.100 0.131 0.000 1.141 371 T CB 0.053 69.026 68.868 0.174 0.000 0.879 371 T HN 0.163 nan 8.240 nan 0.000 0.459 372 C N 2.326 121.720 119.300 0.156 0.000 2.401 372 C HA 0.863 5.320 4.460 -0.004 0.000 0.365 372 C C 0.599 175.641 174.990 0.087 0.000 1.250 372 C CA -1.164 57.924 59.018 0.115 0.000 2.131 372 C CB -0.042 27.706 27.740 0.014 0.000 2.445 372 C HN 0.605 nan 8.230 nan 0.000 0.550 373 A N 2.112 124.978 122.820 0.076 0.000 2.520 373 A HA 0.729 5.047 4.320 -0.004 0.000 0.298 373 A C -1.624 176.035 177.584 0.124 0.000 1.051 373 A CA -0.382 51.645 52.037 -0.018 0.000 0.690 373 A CB 1.088 20.030 19.000 -0.096 0.000 1.281 373 A HN 0.900 nan 8.150 nan 0.000 0.402 374 Y N 1.068 121.323 120.300 -0.075 0.000 2.376 374 Y HA 0.693 5.241 4.550 -0.004 0.000 0.340 374 Y C -0.531 175.363 175.900 -0.010 0.000 0.965 374 Y CA -0.636 57.439 58.100 -0.041 0.000 1.078 374 Y CB 2.035 40.427 38.460 -0.113 0.000 1.193 374 Y HN 0.545 nan 8.280 nan 0.000 0.452 375 T N 6.968 121.371 114.554 -0.253 0.000 2.758 375 T HA 0.218 4.566 4.350 -0.004 0.000 0.285 375 T C -0.637 173.717 174.700 -0.577 0.000 0.981 375 T CA -0.769 61.128 62.100 -0.339 0.000 0.965 375 T CB 0.194 69.089 68.868 0.046 0.000 0.927 375 T HN 0.658 nan 8.240 nan 0.000 0.448 376 N N 1.851 120.173 118.700 -0.631 0.000 2.479 376 N HA 0.112 4.850 4.740 -0.004 0.000 0.285 376 N C 0.238 175.706 175.510 -0.070 0.000 1.075 376 N CA -0.247 52.651 53.050 -0.253 0.000 0.967 376 N CB 0.743 39.205 38.487 -0.043 0.000 1.137 376 N HN 0.662 nan 8.380 nan 0.000 0.472 377 H N 1.043 120.162 119.070 0.082 0.000 2.755 377 H HA 0.145 4.699 4.556 -0.004 0.000 0.273 377 H C -0.135 175.115 175.328 -0.130 0.000 1.055 377 H CA 0.110 56.154 56.048 -0.006 0.000 1.191 377 H CB 1.131 30.897 29.762 0.007 0.000 1.536 377 H HN 0.544 nan 8.280 nan 0.000 0.529 378 T N 0.002 114.589 114.554 0.055 0.000 2.893 378 T HA 0.174 4.522 4.350 -0.004 0.000 0.337 378 T C 0.441 175.168 174.700 0.045 0.000 1.587 378 T CA -0.388 61.680 62.100 -0.054 0.000 1.066 378 T CB 1.142 69.971 68.868 -0.065 0.000 1.414 378 T HN -0.054 nan 8.240 nan 0.000 0.488 379 V N 1.606 121.511 119.914 -0.014 0.000 3.621 379 V HA 0.575 4.693 4.120 -0.004 0.000 0.285 379 V C 0.959 177.012 176.094 -0.068 0.000 1.346 379 V CA 0.051 62.329 62.300 -0.036 0.000 1.104 379 V CB -0.607 31.192 31.823 -0.039 0.000 0.913 379 V HN 0.759 nan 8.190 nan 0.000 0.432 380 I N 3.797 124.313 120.570 -0.091 0.000 2.587 380 I HA 0.142 4.310 4.170 -0.004 0.000 0.284 380 I C -0.373 175.723 176.117 -0.034 0.000 1.134 380 I CA -1.164 60.095 61.300 -0.069 0.000 1.410 380 I CB 1.412 39.326 38.000 -0.143 0.000 1.392 380 I HN 0.144 nan 8.210 nan 0.000 0.545 381 P HA -0.252 nan 4.420 nan 0.000 0.216 381 P C 1.000 178.268 177.300 -0.053 0.000 1.153 381 P CA 1.455 64.533 63.100 -0.037 0.000 0.858 381 P CB -0.087 31.598 31.700 -0.025 0.000 0.789 382 E N 0.287 120.464 120.200 -0.038 0.000 2.472 382 E HA -0.058 4.289 4.350 -0.004 0.000 0.200 382 E C 1.631 178.142 176.600 -0.150 0.000 1.046 382 E CA 1.022 57.347 56.400 -0.126 0.000 0.871 382 E CB -0.730 28.905 29.700 -0.107 0.000 0.806 382 E HN 0.197 nan 8.360 nan 0.000 0.533 383 A N 1.347 124.140 122.820 -0.046 0.000 2.072 383 A HA 0.165 4.483 4.320 -0.004 0.000 0.216 383 A C 1.502 179.066 177.584 -0.034 0.000 1.156 383 A CA -0.131 51.914 52.037 0.014 0.000 0.701 383 A CB -0.172 18.857 19.000 0.049 0.000 0.816 383 A HN 0.202 nan 8.150 nan 0.000 0.458 384 L N 1.569 122.717 121.223 -0.123 0.000 2.455 384 L HA 0.091 4.428 4.340 -0.004 0.000 0.272 384 L C -0.113 176.370 176.870 -0.645 0.000 1.174 384 L CA -0.064 54.632 54.840 -0.240 0.000 0.869 384 L CB 0.471 42.423 42.059 -0.178 0.000 1.130 384 L HN 0.371 nan 8.230 nan 0.000 0.474 385 E N 4.534 124.259 120.200 -0.790 0.000 2.152 385 E HA 0.263 4.611 4.350 -0.004 0.000 0.285 385 E C -0.685 175.235 176.600 -1.133 0.000 1.043 385 E CA -0.306 55.165 56.400 -1.549 0.000 0.839 385 E CB 0.776 29.995 29.700 -0.803 0.000 1.069 385 E HN 0.423 nan 8.360 nan 0.000 0.399 386 R N 3.750 123.428 120.500 -1.369 0.000 2.576 386 R HA 0.200 4.537 4.340 -0.004 0.000 0.283 386 R C -1.240 174.856 176.300 -0.339 0.000 1.493 386 R CA -0.580 55.172 56.100 -0.580 0.000 1.170 386 R CB 0.706 30.798 30.300 -0.346 0.000 1.189 386 R HN 0.442 nan 8.270 nan 0.000 0.542 387 W N 3.863 125.123 121.300 -0.067 0.000 2.238 387 W HA 0.253 4.911 4.660 -0.004 0.000 0.321 387 W C -1.860 174.631 176.519 -0.048 0.000 1.293 387 W CA -2.149 55.211 57.345 0.025 0.000 1.204 387 W CB 0.467 29.922 29.460 -0.007 0.000 1.167 387 W HN 0.217 nan 8.180 nan 0.000 0.553 388 P HA -0.127 nan 4.420 nan 0.000 0.264 388 P C 0.876 178.117 177.300 -0.099 0.000 1.193 388 P CA 0.271 63.334 63.100 -0.063 0.000 0.763 388 P CB 0.648 32.118 31.700 -0.382 0.000 0.810 389 V N 3.321 123.227 119.914 -0.012 0.000 2.490 389 V HA -0.277 3.841 4.120 -0.004 0.000 0.250 389 V C 2.015 178.120 176.094 0.018 0.000 1.061 389 V CA 1.929 64.238 62.300 0.016 0.000 1.064 389 V CB -1.714 30.166 31.823 0.095 0.000 0.670 389 V HN 0.690 nan 8.190 nan 0.000 0.461 390 H N 0.153 119.282 119.070 0.099 0.000 2.319 390 H HA -0.195 4.359 4.556 -0.004 0.000 0.299 390 H C 2.250 177.628 175.328 0.084 0.000 1.092 390 H CA 2.131 58.233 56.048 0.090 0.000 1.302 390 H CB -0.607 29.209 29.762 0.089 0.000 1.373 390 H HN 0.483 nan 8.280 nan 0.000 0.497 391 L N 1.294 122.382 121.223 -0.224 0.000 2.012 391 L HA -0.111 4.227 4.340 -0.004 0.000 0.210 391 L C 2.690 179.525 176.870 -0.060 0.000 1.073 391 L CA 1.300 56.102 54.840 -0.062 0.000 0.748 391 L CB -0.930 41.050 42.059 -0.132 0.000 0.891 391 L HN 0.271 nan 8.230 nan 0.000 0.431 392 L N -0.837 120.326 121.223 -0.100 0.000 2.093 392 L HA -0.198 4.140 4.340 -0.004 0.000 0.208 392 L C 2.560 179.376 176.870 -0.089 0.000 1.085 392 L CA 1.474 56.228 54.840 -0.142 0.000 0.755 392 L CB -0.457 41.511 42.059 -0.152 0.000 0.904 392 L HN 0.419 nan 8.230 nan 0.000 0.435 393 E N -0.469 119.720 120.200 -0.018 0.000 2.077 393 E HA -0.206 4.142 4.350 -0.004 0.000 0.193 393 E C 1.920 178.566 176.600 0.076 0.000 0.989 393 E CA 1.853 58.273 56.400 0.032 0.000 0.800 393 E CB 0.132 29.889 29.700 0.095 0.000 0.746 393 E HN 0.414 nan 8.360 nan 0.000 0.452 394 T N 1.308 115.935 114.554 0.120 0.000 2.668 394 T HA -0.152 4.196 4.350 -0.004 0.000 0.262 394 T C 1.830 176.653 174.700 0.205 0.000 1.045 394 T CA 1.148 63.370 62.100 0.204 0.000 1.152 394 T CB -0.353 68.673 68.868 0.263 0.000 0.864 394 T HN 0.098 nan 8.240 nan 0.000 0.419 395 L N 0.062 121.307 121.223 0.037 0.000 2.056 395 L HA 0.187 4.525 4.340 -0.004 0.000 0.207 395 L C 0.594 177.411 176.870 -0.087 0.000 1.078 395 L CA 1.730 56.444 54.840 -0.209 0.000 0.749 395 L CB -0.134 41.760 42.059 -0.274 0.000 0.901 395 L HN 0.230 nan 8.230 nan 0.000 0.433 396 L N 0.203 121.352 121.223 -0.123 0.000 2.551 396 L HA 0.262 4.599 4.340 -0.004 0.000 0.248 396 L C -1.693 175.022 176.870 -0.257 0.000 1.509 396 L CA -1.010 53.683 54.840 -0.245 0.000 0.842 396 L CB 0.856 42.616 42.059 -0.498 0.000 1.087 396 L HN -0.053 nan 8.230 nan 0.000 0.512 397 P HA -0.207 nan 4.420 nan 0.000 0.215 397 P C 1.444 178.558 177.300 -0.309 0.000 1.153 397 P CA 1.168 64.166 63.100 -0.169 0.000 0.853 397 P CB 0.372 32.052 31.700 -0.032 0.000 0.788 398 R N -0.342 119.773 120.500 -0.642 0.000 2.115 398 R HA -0.126 4.211 4.340 -0.004 0.000 0.230 398 R C 2.277 178.253 176.300 -0.540 0.000 1.111 398 R CA 1.587 57.308 56.100 -0.631 0.000 0.976 398 R CB -1.652 28.080 30.300 -0.946 0.000 0.870 398 R HN 0.276 nan 8.270 nan 0.000 0.445 399 H N -0.766 117.990 119.070 -0.523 0.000 2.357 399 H HA -0.050 4.504 4.556 -0.004 0.000 0.301 399 H C 1.575 176.738 175.328 -0.276 0.000 1.082 399 H CA 1.569 57.398 56.048 -0.365 0.000 1.342 399 H CB -0.171 29.339 29.762 -0.420 0.000 1.389 399 H HN 0.097 nan 8.280 nan 0.000 0.511 400 L N 0.871 121.981 121.223 -0.189 0.000 2.046 400 L HA -0.198 4.140 4.340 -0.004 0.000 0.208 400 L C 1.905 178.611 176.870 -0.274 0.000 1.077 400 L CA 1.629 56.302 54.840 -0.279 0.000 0.747 400 L CB -0.462 41.445 42.059 -0.254 0.000 0.896 400 L HN 0.285 nan 8.230 nan 0.000 0.432 401 Q N -0.626 119.105 119.800 -0.116 0.000 2.084 401 Q HA -0.210 4.128 4.340 -0.004 0.000 0.202 401 Q C 2.315 178.332 176.000 0.029 0.000 0.978 401 Q CA 2.072 57.889 55.803 0.023 0.000 0.844 401 Q CB -0.270 28.489 28.738 0.035 0.000 0.898 401 Q HN 0.565 nan 8.270 nan 0.000 0.426 402 I N 0.440 121.004 120.570 -0.009 0.000 2.226 402 I HA -0.278 3.890 4.170 -0.004 0.000 0.245 402 I C 2.176 178.359 176.117 0.109 0.000 1.100 402 I CA 1.026 62.396 61.300 0.117 0.000 1.374 402 I CB -0.169 37.842 38.000 0.019 0.000 1.057 402 I HN 0.173 nan 8.210 nan 0.000 0.413 403 I N -0.424 120.132 120.570 -0.025 0.000 2.208 403 I HA -0.331 3.837 4.170 -0.004 0.000 0.245 403 I C 2.358 178.474 176.117 -0.002 0.000 1.097 403 I CA 1.580 62.850 61.300 -0.050 0.000 1.363 403 I CB -0.376 37.530 38.000 -0.158 0.000 1.051 403 I HN 0.147 nan 8.210 nan 0.000 0.413 404 Y N 0.539 120.840 120.300 0.002 0.000 2.200 404 Y HA -0.247 4.301 4.550 -0.004 0.000 0.290 404 Y C 2.581 178.443 175.900 -0.063 0.000 1.137 404 Y CA 1.402 59.490 58.100 -0.020 0.000 1.163 404 Y CB -0.687 37.755 38.460 -0.030 0.000 0.988 404 Y HN 0.167 nan 8.280 nan 0.000 0.518 405 E N 0.496 120.726 120.200 0.050 0.000 2.072 405 E HA -0.145 4.203 4.350 -0.004 0.000 0.191 405 E C 2.074 178.587 176.600 -0.145 0.000 0.985 405 E CA 1.226 57.513 56.400 -0.188 0.000 0.801 405 E CB -0.560 28.854 29.700 -0.477 0.000 0.750 405 E HN 0.479 nan 8.360 nan 0.000 0.452 406 I N 0.636 121.222 120.570 0.026 0.000 2.163 406 I HA -0.311 3.857 4.170 -0.004 0.000 0.243 406 I C 2.279 178.391 176.117 -0.009 0.000 1.085 406 I CA 1.470 62.737 61.300 -0.054 0.000 1.347 406 I CB -0.391 37.564 38.000 -0.075 0.000 1.044 406 I HN 0.204 nan 8.210 nan 0.000 0.408 407 N N 0.594 119.336 118.700 0.070 0.000 2.084 407 N HA -0.275 4.462 4.740 -0.004 0.000 0.190 407 N C 1.825 177.418 175.510 0.139 0.000 1.030 407 N CA 1.584 54.725 53.050 0.152 0.000 0.849 407 N CB -0.171 38.422 38.487 0.178 0.000 1.012 407 N HN 0.204 nan 8.380 nan 0.000 0.423 408 Q N 0.703 120.536 119.800 0.054 0.000 2.061 408 Q HA -0.047 4.290 4.340 -0.004 0.000 0.204 408 Q C 1.989 177.982 176.000 -0.011 0.000 0.984 408 Q CA 1.715 57.518 55.803 0.001 0.000 0.846 408 Q CB -0.163 28.534 28.738 -0.067 0.000 0.902 408 Q HN 0.353 nan 8.270 nan 0.000 0.421 409 R N -1.279 119.196 120.500 -0.042 0.000 2.092 409 R HA -0.076 4.262 4.340 -0.004 0.000 0.231 409 R C 2.096 178.435 176.300 0.065 0.000 1.119 409 R CA 1.212 57.289 56.100 -0.039 0.000 0.970 409 R CB -0.356 29.869 30.300 -0.124 0.000 0.864 409 R HN 0.317 nan 8.270 nan 0.000 0.440 410 F N 1.063 121.004 119.950 -0.015 0.000 2.206 410 F HA -0.036 4.489 4.527 -0.004 0.000 0.298 410 F C 1.746 177.580 175.800 0.057 0.000 1.090 410 F CA 1.152 59.191 58.000 0.065 0.000 1.323 410 F CB 0.011 39.082 39.000 0.117 0.000 1.028 410 F HN -0.114 nan 8.300 nan 0.000 0.492 411 L N 0.032 121.314 121.223 0.099 0.000 2.217 411 L HA -0.178 4.160 4.340 -0.004 0.000 0.211 411 L C 1.960 178.794 176.870 -0.060 0.000 1.107 411 L CA 0.658 55.495 54.840 -0.004 0.000 0.783 411 L CB -0.740 41.362 42.059 0.071 0.000 0.919 411 L HN 0.135 nan 8.230 nan 0.000 0.442 412 N N 0.593 119.268 118.700 -0.042 0.000 2.188 412 N HA -0.137 4.601 4.740 -0.004 0.000 0.184 412 N C 1.874 177.341 175.510 -0.073 0.000 1.018 412 N CA 1.125 54.145 53.050 -0.050 0.000 0.858 412 N CB -0.171 38.291 38.487 -0.042 0.000 0.989 412 N HN 0.312 nan 8.380 nan 0.000 0.426 413 R N 0.210 120.647 120.500 -0.104 0.000 2.092 413 R HA 0.030 4.368 4.340 -0.004 0.000 0.231 413 R C 2.077 178.281 176.300 -0.159 0.000 1.119 413 R CA 0.683 56.710 56.100 -0.121 0.000 0.970 413 R CB -0.411 29.822 30.300 -0.113 0.000 0.864 413 R HN 0.027 nan 8.270 nan 0.000 0.440 414 V N 1.233 121.008 119.914 -0.232 0.000 2.295 414 V HA -0.243 3.874 4.120 -0.004 0.000 0.246 414 V C 2.466 178.564 176.094 0.007 0.000 1.049 414 V CA 2.029 64.257 62.300 -0.121 0.000 1.024 414 V CB -0.705 30.995 31.823 -0.205 0.000 0.648 414 V HN 0.414 nan 8.190 nan 0.000 0.447 415 A N -0.109 122.693 122.820 -0.030 0.000 1.933 415 A HA -0.088 4.229 4.320 -0.004 0.000 0.218 415 A C 2.366 179.936 177.584 -0.024 0.000 1.175 415 A CA 1.992 54.025 52.037 -0.007 0.000 0.628 415 A CB -0.667 18.320 19.000 -0.021 0.000 0.814 415 A HN 0.576 nan 8.150 nan 0.000 0.444 416 A N -0.605 122.182 122.820 -0.055 0.000 2.014 416 A HA 0.304 4.622 4.320 -0.004 0.000 0.218 416 A C 2.329 179.835 177.584 -0.130 0.000 1.163 416 A CA 1.694 53.687 52.037 -0.075 0.000 0.652 416 A CB -0.599 18.361 19.000 -0.067 0.000 0.808 416 A HN 0.939 nan 8.150 nan 0.000 0.449 417 A N -1.790 120.918 122.820 -0.186 0.000 1.984 417 A HA 0.418 4.735 4.320 -0.004 0.000 0.214 417 A C 0.425 177.603 177.584 -0.678 0.000 1.173 417 A CA 0.467 52.243 52.037 -0.434 0.000 0.673 417 A CB -0.072 18.630 19.000 -0.496 0.000 0.830 417 A HN 0.393 nan 8.150 nan 0.000 0.453 418 F N 0.217 120.121 119.950 -0.076 0.000 2.584 418 F HA 0.338 4.863 4.527 -0.004 0.000 0.328 418 F C -2.772 172.993 175.800 -0.058 0.000 1.407 418 F CA -2.927 55.033 58.000 -0.067 0.000 1.145 418 F CB 0.894 39.845 39.000 -0.081 0.000 1.440 418 F HN -0.056 nan 8.300 nan 0.000 0.580 419 P HA 0.203 nan 4.420 nan 0.000 0.267 419 P C 1.000 178.320 177.300 0.034 0.000 1.209 419 P CA 0.963 64.077 63.100 0.023 0.000 0.763 419 P CB 0.868 32.562 31.700 -0.009 0.000 0.816 420 G N 2.620 111.434 108.800 0.024 0.000 2.199 420 G HA2 -0.235 3.722 3.960 -0.004 0.000 0.254 420 G HA3 -0.235 3.722 3.960 -0.004 0.000 0.254 420 G C 0.255 175.166 174.900 0.019 0.000 0.982 420 G CA -0.048 45.062 45.100 0.016 0.000 0.632 420 G HN 0.596 nan 8.290 nan 0.000 0.529 421 D N 1.171 121.592 120.400 0.035 0.000 2.508 421 D HA 0.454 5.092 4.640 -0.004 0.000 0.224 421 D C 1.686 177.978 176.300 -0.014 0.000 1.171 421 D CA 0.126 54.130 54.000 0.007 0.000 1.006 421 D CB 0.596 41.396 40.800 -0.001 0.000 1.073 421 D HN 0.090 nan 8.370 nan 0.000 0.513 422 V N 2.674 122.581 119.914 -0.011 0.000 2.453 422 V HA -0.181 3.937 4.120 -0.004 0.000 0.247 422 V C 1.980 178.063 176.094 -0.018 0.000 1.048 422 V CA 1.394 63.687 62.300 -0.011 0.000 1.049 422 V CB -0.287 31.533 31.823 -0.006 0.000 0.672 422 V HN 0.430 nan 8.190 nan 0.000 0.457 423 D N -0.004 120.381 120.400 -0.025 0.000 2.144 423 D HA -0.194 4.443 4.640 -0.004 0.000 0.199 423 D C 2.339 178.611 176.300 -0.046 0.000 0.984 423 D CA 1.120 55.105 54.000 -0.027 0.000 0.834 423 D CB -0.124 40.660 40.800 -0.028 0.000 0.955 423 D HN 0.258 nan 8.370 nan 0.000 0.465 424 R N -0.158 120.290 120.500 -0.087 0.000 2.091 424 R HA -0.114 4.224 4.340 -0.004 0.000 0.238 424 R C 2.304 178.541 176.300 -0.106 0.000 1.136 424 R CA 1.064 57.076 56.100 -0.146 0.000 0.959 424 R CB -0.282 29.868 30.300 -0.250 0.000 0.856 424 R HN 0.256 nan 8.270 nan 0.000 0.437 425 L N 0.228 121.415 121.223 -0.060 0.000 2.017 425 L HA -0.180 4.158 4.340 -0.004 0.000 0.208 425 L C 2.944 179.827 176.870 0.022 0.000 1.073 425 L CA 1.665 56.492 54.840 -0.020 0.000 0.745 425 L CB -0.619 41.436 42.059 -0.006 0.000 0.894 425 L HN 0.274 nan 8.230 nan 0.000 0.432 426 R N 0.572 121.084 120.500 0.021 0.000 2.081 426 R HA -0.153 4.184 4.340 -0.004 0.000 0.235 426 R C 2.459 178.807 176.300 0.081 0.000 1.131 426 R CA 1.442 57.572 56.100 0.050 0.000 0.960 426 R CB -0.074 30.247 30.300 0.035 0.000 0.856 426 R HN 0.317 nan 8.270 nan 0.000 0.436 427 R N -0.375 120.157 120.500 0.052 0.000 2.090 427 R HA -0.011 4.327 4.340 -0.004 0.000 0.228 427 R C 2.256 178.648 176.300 0.153 0.000 1.110 427 R CA 1.532 57.690 56.100 0.096 0.000 0.973 427 R CB -0.103 30.214 30.300 0.029 0.000 0.869 427 R HN 0.310 nan 8.270 nan 0.000 0.440 428 M N 0.279 119.892 119.600 0.022 0.000 2.447 428 M HA 0.015 4.493 4.480 -0.004 0.000 0.264 428 M C 0.989 177.456 176.300 0.278 0.000 1.095 428 M CA 0.133 55.393 55.300 -0.067 0.000 1.125 428 M CB 0.252 32.666 32.600 -0.311 0.000 1.389 428 M HN -0.051 nan 8.290 nan 0.000 0.459 429 S N 0.735 116.601 115.700 0.276 0.000 2.554 429 S HA -0.042 4.426 4.470 -0.004 0.000 0.290 429 S C 0.991 175.835 174.600 0.407 0.000 1.309 429 S CA -0.317 58.068 58.200 0.309 0.000 1.047 429 S CB 0.604 63.928 63.200 0.207 0.000 0.828 429 S HN 0.219 nan 8.310 nan 0.000 0.509 430 L N 5.009 126.415 121.223 0.305 0.000 2.291 430 L HA 0.158 4.496 4.340 -0.004 0.000 0.214 430 L C 0.515 177.477 176.870 0.154 0.000 1.120 430 L CA 0.869 55.846 54.840 0.227 0.000 0.799 430 L CB -0.464 41.674 42.059 0.133 0.000 0.925 430 L HN 0.510 nan 8.230 nan 0.000 0.446 431 V N 0.468 120.488 119.914 0.176 0.000 2.406 431 V HA 0.157 4.275 4.120 -0.004 0.000 0.272 431 V C 0.233 176.400 176.094 0.123 0.000 1.043 431 V CA -0.845 61.547 62.300 0.152 0.000 0.915 431 V CB 0.884 32.830 31.823 0.206 0.000 0.988 431 V HN 0.181 nan 8.190 nan 0.000 0.466 432 E N 3.146 123.395 120.200 0.081 0.000 2.197 432 E HA 0.398 4.746 4.350 -0.004 0.000 0.281 432 E C -0.577 176.063 176.600 0.067 0.000 0.995 432 E CA -0.604 55.834 56.400 0.063 0.000 0.808 432 E CB 1.990 31.701 29.700 0.019 0.000 1.093 432 E HN 0.609 nan 8.360 nan 0.000 0.394 433 E N 0.943 121.181 120.200 0.064 0.000 2.345 433 E HA 0.596 4.944 4.350 -0.004 0.000 0.259 433 E C -0.022 176.608 176.600 0.049 0.000 1.117 433 E CA 0.265 56.699 56.400 0.058 0.000 0.913 433 E CB 1.315 31.045 29.700 0.051 0.000 1.057 433 E HN 0.645 nan 8.360 nan 0.000 0.432 434 G N -0.222 108.607 108.800 0.049 0.000 2.357 434 G HA2 0.294 4.251 3.960 -0.004 0.000 0.289 434 G HA3 0.294 4.251 3.960 -0.004 0.000 0.289 434 G C 0.265 175.195 174.900 0.050 0.000 1.302 434 G CA 0.142 45.269 45.100 0.044 0.000 0.936 434 G HN 0.602 nan 8.290 nan 0.000 0.513 435 A N -1.168 121.681 122.820 0.048 0.000 1.917 435 A HA 0.291 4.609 4.320 -0.004 0.000 0.219 435 A C 1.296 178.923 177.584 0.072 0.000 1.182 435 A CA 2.505 54.572 52.037 0.051 0.000 0.633 435 A CB -0.438 18.590 19.000 0.045 0.000 0.819 435 A HN 1.584 nan 8.150 nan 0.000 0.448 436 V N 1.237 121.201 119.914 0.084 0.000 2.334 436 V HA 0.193 4.311 4.120 -0.004 0.000 0.281 436 V C -0.101 176.055 176.094 0.103 0.000 1.016 436 V CA -0.767 61.605 62.300 0.120 0.000 0.832 436 V CB 1.267 33.177 31.823 0.145 0.000 0.999 436 V HN 0.381 nan 8.190 nan 0.000 0.439 437 K N 4.610 125.078 120.400 0.113 0.000 2.382 437 K HA 0.481 4.798 4.320 -0.004 0.000 0.275 437 K C -0.115 176.540 176.600 0.092 0.000 1.009 437 K CA -0.009 56.339 56.287 0.103 0.000 0.970 437 K CB 0.756 33.331 32.500 0.125 0.000 0.934 437 K HN 0.573 nan 8.250 nan 0.000 0.479 438 R N 1.471 122.013 120.500 0.070 0.000 2.836 438 R HA 0.474 4.812 4.340 -0.004 0.000 0.269 438 R C -0.829 175.493 176.300 0.037 0.000 1.010 438 R CA -0.997 55.132 56.100 0.048 0.000 0.930 438 R CB 1.247 31.554 30.300 0.012 0.000 1.218 438 R HN 0.364 nan 8.270 nan 0.000 0.473 439 I N 1.912 122.502 120.570 0.032 0.000 2.321 439 I HA 0.159 4.327 4.170 -0.004 0.000 0.291 439 I C -0.217 175.869 176.117 -0.052 0.000 0.998 439 I CA -0.697 60.608 61.300 0.009 0.000 1.227 439 I CB 1.160 39.166 38.000 0.011 0.000 1.368 439 I HN 0.514 nan 8.210 nan 0.000 0.466 440 N N 7.153 125.790 118.700 -0.106 0.000 2.405 440 N HA 0.074 4.811 4.740 -0.004 0.000 0.260 440 N C 0.797 176.198 175.510 -0.182 0.000 1.152 440 N CA -0.287 52.620 53.050 -0.239 0.000 0.948 440 N CB 0.997 39.198 38.487 -0.476 0.000 1.111 440 N HN 0.386 nan 8.380 nan 0.000 0.485 441 M N 2.692 122.186 119.600 -0.177 0.000 2.296 441 M HA -0.048 4.429 4.480 -0.004 0.000 0.265 441 M C 1.909 178.068 176.300 -0.236 0.000 1.064 441 M CA 0.677 55.898 55.300 -0.133 0.000 1.109 441 M CB -1.549 31.022 32.600 -0.048 0.000 1.396 441 M HN 0.621 nan 8.290 nan 0.000 0.430 442 A N -0.476 122.201 122.820 -0.238 0.000 1.930 442 A HA -0.159 4.159 4.320 -0.004 0.000 0.217 442 A C 1.966 179.354 177.584 -0.327 0.000 1.175 442 A CA 1.351 53.211 52.037 -0.294 0.000 0.627 442 A CB -1.071 17.967 19.000 0.063 0.000 0.815 442 A HN 0.596 nan 8.150 nan 0.000 0.443 443 H N -1.518 117.357 119.070 -0.326 0.000 2.389 443 H HA -0.078 4.475 4.556 -0.004 0.000 0.299 443 H C 2.082 177.202 175.328 -0.346 0.000 1.081 443 H CA 1.032 56.858 56.048 -0.371 0.000 1.345 443 H CB -0.004 29.731 29.762 -0.045 0.000 1.393 443 H HN 0.434 nan 8.280 nan 0.000 0.520 444 L N 0.716 121.864 121.223 -0.124 0.000 2.042 444 L HA -0.174 4.164 4.340 -0.004 0.000 0.210 444 L C 2.269 179.021 176.870 -0.196 0.000 1.076 444 L CA 1.404 56.167 54.840 -0.128 0.000 0.749 444 L CB -0.761 41.250 42.059 -0.080 0.000 0.893 444 L HN 0.290 nan 8.230 nan 0.000 0.432 445 C N -0.318 118.770 119.300 -0.353 0.000 2.436 445 C HA -0.148 4.310 4.460 -0.004 0.000 0.277 445 C C 2.706 177.483 174.990 -0.354 0.000 1.241 445 C CA 1.104 59.840 59.018 -0.469 0.000 1.721 445 C CB -0.897 26.173 27.740 -1.117 0.000 2.043 445 C HN 0.617 nan 8.230 nan 0.000 0.472 446 I N 1.432 121.746 120.570 -0.426 0.000 2.226 446 I HA -0.211 3.956 4.170 -0.004 0.000 0.245 446 I C 2.747 178.746 176.117 -0.197 0.000 1.100 446 I CA 1.702 62.797 61.300 -0.341 0.000 1.374 446 I CB -0.644 37.003 38.000 -0.588 0.000 1.057 446 I HN 0.285 nan 8.210 nan 0.000 0.413 447 A N 0.680 123.331 122.820 -0.282 0.000 1.933 447 A HA -0.078 4.239 4.320 -0.004 0.000 0.218 447 A C 2.210 179.885 177.584 0.151 0.000 1.175 447 A CA 1.833 53.736 52.037 -0.224 0.000 0.628 447 A CB -1.081 17.566 19.000 -0.588 0.000 0.814 447 A HN 0.486 nan 8.150 nan 0.000 0.444 448 G N -1.215 107.612 108.800 0.046 0.000 3.284 448 G HA2 0.419 4.376 3.960 -0.004 0.000 0.236 448 G HA3 0.419 4.376 3.960 -0.004 0.000 0.236 448 G C 0.064 174.840 174.900 -0.207 0.000 1.158 448 G CA 0.428 45.460 45.100 -0.112 0.000 0.774 448 G HN 0.325 nan 8.290 nan 0.000 0.545 449 S N -0.254 115.371 115.700 -0.125 0.000 2.513 449 S HA 0.316 4.783 4.470 -0.004 0.000 0.299 449 S C 0.734 175.295 174.600 -0.065 0.000 1.087 449 S CA -0.713 57.427 58.200 -0.099 0.000 1.012 449 S CB 1.245 64.387 63.200 -0.098 0.000 1.044 449 S HN 0.507 nan 8.310 nan 0.000 0.485 450 H N 0.101 119.140 119.070 -0.051 0.000 2.551 450 H HA 0.484 5.037 4.556 -0.004 0.000 0.266 450 H C 0.133 175.446 175.328 -0.024 0.000 0.977 450 H CA 0.274 56.316 56.048 -0.011 0.000 1.163 450 H CB 0.137 29.905 29.762 0.010 0.000 1.381 450 H HN 0.496 nan 8.280 nan 0.000 0.581 451 A N 0.983 123.496 122.820 -0.512 0.000 2.488 451 A HA 0.560 4.878 4.320 -0.004 0.000 0.298 451 A C -1.369 176.008 177.584 -0.346 0.000 1.044 451 A CA -0.585 51.208 52.037 -0.407 0.000 0.693 451 A CB 2.217 20.962 19.000 -0.425 0.000 1.272 451 A HN 0.094 nan 8.150 nan 0.000 0.402 452 V N 3.905 123.568 119.914 -0.419 0.000 2.588 452 V HA 0.601 4.719 4.120 -0.004 0.000 0.304 452 V C -0.743 175.148 176.094 -0.339 0.000 1.042 452 V CA -0.760 61.284 62.300 -0.427 0.000 0.877 452 V CB 1.847 33.269 31.823 -0.668 0.000 0.996 452 V HN 1.029 nan 8.190 nan 0.000 0.425 453 N N 2.774 121.299 118.700 -0.291 0.000 2.242 453 N HA 0.578 5.316 4.740 -0.004 0.000 0.292 453 N C -0.338 175.067 175.510 -0.175 0.000 1.125 453 N CA -0.398 52.529 53.050 -0.205 0.000 0.783 453 N CB 2.782 41.124 38.487 -0.241 0.000 1.558 453 N HN 0.664 nan 8.380 nan 0.000 0.472 454 G N -0.768 107.962 108.800 -0.115 0.000 2.522 454 G HA2 0.435 4.393 3.960 -0.004 0.000 0.304 454 G HA3 0.435 4.393 3.960 -0.004 0.000 0.304 454 G C 0.755 175.713 174.900 0.097 0.000 1.210 454 G CA -0.475 44.611 45.100 -0.023 0.000 0.960 454 G HN 0.648 nan 8.290 nan 0.000 0.497 455 V N -3.659 116.427 119.914 0.286 0.000 3.427 455 V HA 0.697 4.815 4.120 -0.004 0.000 0.305 455 V C 0.558 176.725 176.094 0.122 0.000 1.412 455 V CA 0.340 62.712 62.300 0.120 0.000 1.086 455 V CB -0.708 31.122 31.823 0.011 0.000 0.964 455 V HN 1.300 nan 8.190 nan 0.000 0.439 456 A N -0.052 122.857 122.820 0.148 0.000 2.594 456 A HA 0.668 4.986 4.320 -0.004 0.000 0.296 456 A C 0.620 178.253 177.584 0.082 0.000 1.061 456 A CA -0.142 51.958 52.037 0.105 0.000 0.689 456 A CB 1.320 20.368 19.000 0.081 0.000 1.280 456 A HN 0.063 nan 8.150 nan 0.000 0.406 457 R N 0.985 121.512 120.500 0.046 0.000 2.113 457 R HA -0.183 4.155 4.340 -0.004 0.000 0.244 457 R C 1.733 178.031 176.300 -0.002 0.000 1.142 457 R CA 2.415 58.520 56.100 0.009 0.000 0.953 457 R CB -0.278 30.023 30.300 0.002 0.000 0.860 457 R HN 0.817 nan 8.270 nan 0.000 0.438 458 I N 0.015 120.592 120.570 0.011 0.000 2.286 458 I HA -0.290 3.878 4.170 -0.004 0.000 0.248 458 I C 2.212 178.341 176.117 0.019 0.000 1.115 458 I CA 1.901 63.201 61.300 -0.000 0.000 1.392 458 I CB -0.178 37.820 38.000 -0.004 0.000 1.065 458 I HN 0.365 nan 8.210 nan 0.000 0.418 459 H N 0.167 119.207 119.070 -0.051 0.000 2.363 459 H HA -0.073 4.480 4.556 -0.004 0.000 0.301 459 H C 2.240 177.534 175.328 -0.056 0.000 1.074 459 H CA 2.048 58.062 56.048 -0.057 0.000 1.354 459 H CB -0.167 29.566 29.762 -0.049 0.000 1.397 459 H HN 0.244 nan 8.280 nan 0.000 0.516 460 S N 0.474 116.060 115.700 -0.189 0.000 2.383 460 S HA -0.115 4.353 4.470 -0.004 0.000 0.227 460 S C 1.852 176.337 174.600 -0.192 0.000 1.026 460 S CA 1.138 59.205 58.200 -0.221 0.000 0.981 460 S CB -0.041 63.095 63.200 -0.106 0.000 0.818 460 S HN 0.482 nan 8.310 nan 0.000 0.472 461 E N 1.027 121.136 120.200 -0.152 0.000 2.072 461 E HA -0.038 4.310 4.350 -0.004 0.000 0.191 461 E C 2.021 178.507 176.600 -0.190 0.000 0.985 461 E CA 0.623 56.922 56.400 -0.167 0.000 0.801 461 E CB -0.425 29.207 29.700 -0.114 0.000 0.750 461 E HN 0.402 nan 8.360 nan 0.000 0.452 462 I N 1.117 121.590 120.570 -0.162 0.000 2.361 462 I HA -0.211 3.956 4.170 -0.004 0.000 0.251 462 I C 2.212 178.201 176.117 -0.213 0.000 1.133 462 I CA 0.702 61.907 61.300 -0.157 0.000 1.413 462 I CB -0.111 37.829 38.000 -0.100 0.000 1.073 462 I HN 0.021 nan 8.210 nan 0.000 0.424 463 L N -0.189 120.874 121.223 -0.267 0.000 2.012 463 L HA -0.267 4.070 4.340 -0.004 0.000 0.210 463 L C 2.423 179.162 176.870 -0.219 0.000 1.073 463 L CA 1.608 56.303 54.840 -0.241 0.000 0.748 463 L CB -0.749 41.257 42.059 -0.090 0.000 0.891 463 L HN 0.164 nan 8.230 nan 0.000 0.431 464 K N -0.400 119.799 120.400 -0.334 0.000 2.211 464 K HA -0.116 4.202 4.320 -0.004 0.000 0.203 464 K C 1.949 178.321 176.600 -0.380 0.000 1.050 464 K CA 0.779 56.715 56.287 -0.584 0.000 0.945 464 K CB 0.092 31.970 32.500 -1.036 0.000 0.732 464 K HN 0.087 nan 8.250 nan 0.000 0.451 465 K N -0.315 119.929 120.400 -0.259 0.000 2.323 465 K HA 0.102 4.420 4.320 -0.004 0.000 0.197 465 K C 1.388 177.923 176.600 -0.109 0.000 1.043 465 K CA 0.812 57.005 56.287 -0.157 0.000 0.997 465 K CB 0.539 32.959 32.500 -0.134 0.000 0.807 465 K HN 0.046 nan 8.250 nan 0.000 0.497 466 T N 0.843 115.321 114.554 -0.126 0.000 3.364 466 T HA 0.167 4.514 4.350 -0.004 0.000 0.179 466 T C 1.709 176.347 174.700 -0.104 0.000 0.939 466 T CA -0.242 61.797 62.100 -0.102 0.000 1.094 466 T CB -0.094 68.710 68.868 -0.107 0.000 1.532 466 T HN -0.205 nan 8.240 nan 0.000 0.346 467 I N 1.444 121.892 120.570 -0.203 0.000 2.113 467 I HA -0.119 4.049 4.170 -0.004 0.000 0.242 467 I C 1.419 177.428 176.117 -0.180 0.000 1.064 467 I CA 2.141 63.244 61.300 -0.328 0.000 1.320 467 I CB -1.220 36.350 38.000 -0.717 0.000 1.028 467 I HN 0.226 nan 8.210 nan 0.000 0.406 468 F N 0.737 120.726 119.950 0.065 0.000 2.708 468 F HA 0.288 4.812 4.527 -0.004 0.000 0.300 468 F C 1.904 177.745 175.800 0.069 0.000 1.118 468 F CA -0.909 57.187 58.000 0.160 0.000 1.307 468 F CB -0.742 38.335 39.000 0.128 0.000 0.986 468 F HN 0.024 nan 8.300 nan 0.000 0.522 469 K N 0.868 121.344 120.400 0.126 0.000 2.074 469 K HA -0.216 4.101 4.320 -0.004 0.000 0.209 469 K C 1.274 177.909 176.600 0.058 0.000 1.048 469 K CA 2.260 58.581 56.287 0.056 0.000 0.926 469 K CB 0.010 32.514 32.500 0.005 0.000 0.713 469 K HN 0.092 nan 8.250 nan 0.000 0.444 470 D N -0.161 120.247 120.400 0.015 0.000 2.144 470 D HA -0.150 4.487 4.640 -0.004 0.000 0.199 470 D C 1.798 177.981 176.300 -0.194 0.000 0.984 470 D CA 1.196 55.079 54.000 -0.196 0.000 0.834 470 D CB -0.301 40.289 40.800 -0.350 0.000 0.955 470 D HN 0.253 nan 8.370 nan 0.000 0.465 471 F N -0.135 119.864 119.950 0.083 0.000 2.206 471 F HA -0.124 4.400 4.527 -0.004 0.000 0.298 471 F C 2.346 178.246 175.800 0.167 0.000 1.090 471 F CA 0.490 58.614 58.000 0.207 0.000 1.323 471 F CB -0.708 38.490 39.000 0.330 0.000 1.028 471 F HN -0.036 nan 8.300 nan 0.000 0.492 472 Y N 1.367 121.594 120.300 -0.122 0.000 2.224 472 Y HA -0.190 4.357 4.550 -0.004 0.000 0.289 472 Y C 2.102 177.980 175.900 -0.036 0.000 1.146 472 Y CA 1.654 59.538 58.100 -0.360 0.000 1.182 472 Y CB -0.599 37.492 38.460 -0.614 0.000 0.983 472 Y HN 0.133 nan 8.280 nan 0.000 0.524 473 E N -0.257 119.877 120.200 -0.109 0.000 2.150 473 E HA -0.189 4.159 4.350 -0.004 0.000 0.193 473 E C 2.018 178.665 176.600 0.079 0.000 0.985 473 E CA 1.176 57.526 56.400 -0.082 0.000 0.814 473 E CB -0.254 29.440 29.700 -0.010 0.000 0.752 473 E HN 0.461 nan 8.360 nan 0.000 0.466 474 L N 0.941 122.246 121.223 0.137 0.000 2.072 474 L HA -0.066 4.272 4.340 -0.004 0.000 0.205 474 L C 0.184 177.124 176.870 0.117 0.000 1.079 474 L CA 1.617 56.579 54.840 0.204 0.000 0.752 474 L CB 0.391 42.556 42.059 0.176 0.000 0.906 474 L HN -0.102 nan 8.230 nan 0.000 0.436 475 E N -0.341 119.917 120.200 0.097 0.000 2.914 475 E HA 0.174 4.522 4.350 -0.004 0.000 0.246 475 E C -2.023 174.478 176.600 -0.165 0.000 1.146 475 E CA -1.342 55.016 56.400 -0.071 0.000 0.803 475 E CB 0.951 30.603 29.700 -0.080 0.000 1.409 475 E HN 0.136 nan 8.360 nan 0.000 0.392 476 P HA -0.261 nan 4.420 nan 0.000 0.215 476 P C 1.290 178.657 177.300 0.112 0.000 1.153 476 P CA 1.509 64.487 63.100 -0.203 0.000 0.853 476 P CB -0.098 31.423 31.700 -0.299 0.000 0.788 477 H N 0.285 119.450 119.070 0.159 0.000 2.489 477 H HA 0.014 4.568 4.556 -0.004 0.000 0.295 477 H C 1.428 176.836 175.328 0.134 0.000 1.082 477 H CA 0.903 57.036 56.048 0.141 0.000 1.295 477 H CB -0.712 29.104 29.762 0.090 0.000 1.380 477 H HN 0.176 nan 8.280 nan 0.000 0.548 478 K N 0.360 120.631 120.400 -0.215 0.000 2.217 478 K HA 0.010 4.328 4.320 -0.004 0.000 0.202 478 K C -0.089 176.318 176.600 -0.321 0.000 1.051 478 K CA 0.264 56.415 56.287 -0.227 0.000 0.952 478 K CB 0.051 32.296 32.500 -0.425 0.000 0.736 478 K HN 0.128 nan 8.250 nan 0.000 0.453 479 F N 2.189 122.166 119.950 0.044 0.000 2.444 479 F HA 0.128 4.653 4.527 -0.004 0.000 0.360 479 F C 0.658 176.460 175.800 0.004 0.000 1.106 479 F CA -0.015 58.015 58.000 0.050 0.000 1.170 479 F CB 0.714 39.815 39.000 0.169 0.000 1.113 479 F HN -0.083 nan 8.300 nan 0.000 0.521 480 Q N 1.935 121.743 119.800 0.013 0.000 2.633 480 Q HA 0.392 4.730 4.340 -0.004 0.000 0.292 480 Q C -1.019 174.936 176.000 -0.075 0.000 1.089 480 Q CA -1.269 54.506 55.803 -0.046 0.000 0.811 480 Q CB 2.928 31.584 28.738 -0.138 0.000 1.472 480 Q HN 0.598 nan 8.270 nan 0.000 0.464 481 N N 0.473 119.110 118.700 -0.105 0.000 2.258 481 N HA 0.250 4.987 4.740 -0.004 0.000 0.299 481 N C -1.472 173.935 175.510 -0.171 0.000 1.047 481 N CA -0.394 52.592 53.050 -0.106 0.000 0.814 481 N CB 1.036 39.483 38.487 -0.066 0.000 1.413 481 N HN 0.246 nan 8.380 nan 0.000 0.478 482 K N 2.734 123.035 120.400 -0.166 0.000 2.701 482 K HA 0.187 4.504 4.320 -0.004 0.000 0.212 482 K C -0.952 175.652 176.600 0.005 0.000 1.035 482 K CA -0.472 55.693 56.287 -0.203 0.000 1.048 482 K CB 1.065 33.222 32.500 -0.571 0.000 1.234 482 K HN 0.537 nan 8.250 nan 0.000 0.540 483 T N 2.052 116.625 114.554 0.031 0.000 2.871 483 T HA 0.041 4.389 4.350 -0.004 0.000 0.296 483 T C 0.826 175.645 174.700 0.198 0.000 0.998 483 T CA 0.442 62.611 62.100 0.116 0.000 1.162 483 T CB 0.212 69.152 68.868 0.120 0.000 0.947 483 T HN 0.354 nan 8.240 nan 0.000 0.536 484 N N 0.668 119.507 118.700 0.232 0.000 2.260 484 N HA 0.426 5.164 4.740 -0.004 0.000 0.230 484 N C 0.509 176.202 175.510 0.306 0.000 1.323 484 N CA -0.185 53.039 53.050 0.290 0.000 0.897 484 N CB 0.378 38.978 38.487 0.188 0.000 1.146 484 N HN 0.761 nan 8.380 nan 0.000 0.460 485 G N -0.819 108.166 108.800 0.309 0.000 2.649 485 G HA2 0.581 4.539 3.960 -0.004 0.000 0.290 485 G HA3 0.581 4.539 3.960 -0.004 0.000 0.290 485 G C -1.523 173.506 174.900 0.214 0.000 1.426 485 G CA -0.755 44.513 45.100 0.281 0.000 0.794 485 G HN 0.591 nan 8.290 nan 0.000 0.483 486 I N -2.210 118.471 120.570 0.186 0.000 2.828 486 I HA 0.752 4.919 4.170 -0.004 0.000 0.302 486 I C -0.154 176.117 176.117 0.257 0.000 1.101 486 I CA -0.991 60.410 61.300 0.169 0.000 1.031 486 I CB 2.461 40.447 38.000 -0.023 0.000 1.231 486 I HN 0.498 nan 8.210 nan 0.000 0.427 487 T N 4.167 118.930 114.554 0.347 0.000 2.794 487 T HA 0.367 4.715 4.350 -0.004 0.000 0.296 487 T C -1.437 173.392 174.700 0.215 0.000 0.949 487 T CA -1.639 60.593 62.100 0.221 0.000 1.101 487 T CB 0.802 69.750 68.868 0.132 0.000 0.905 487 T HN 0.644 nan 8.240 nan 0.000 0.516 488 P HA 0.056 nan 4.420 nan 0.000 0.237 488 P C 1.042 178.324 177.300 -0.030 0.000 1.178 488 P CA 0.273 63.424 63.100 0.085 0.000 0.766 488 P CB 0.359 32.101 31.700 0.071 0.000 0.876 489 R N 0.504 120.939 120.500 -0.107 0.000 2.060 489 R HA 0.017 4.355 4.340 -0.004 0.000 0.225 489 R C 2.694 178.889 176.300 -0.175 0.000 1.155 489 R CA 1.543 57.533 56.100 -0.183 0.000 0.930 489 R CB -1.307 28.886 30.300 -0.178 0.000 0.829 489 R HN 0.029 nan 8.270 nan 0.000 0.433 490 R N -0.663 119.686 120.500 -0.251 0.000 2.073 490 R HA -0.135 4.202 4.340 -0.004 0.000 0.234 490 R C 1.012 176.998 176.300 -0.523 0.000 1.134 490 R CA 1.819 57.622 56.100 -0.495 0.000 0.952 490 R CB -0.250 29.560 30.300 -0.816 0.000 0.850 490 R HN 0.298 nan 8.270 nan 0.000 0.433 491 W N 0.033 121.295 121.300 -0.064 0.000 3.447 491 W HA 0.165 4.822 4.660 -0.005 0.000 0.348 491 W C 0.831 177.327 176.519 -0.039 0.000 1.220 491 W CA -0.658 56.651 57.345 -0.061 0.000 1.809 491 W CB 0.355 29.783 29.460 -0.053 0.000 1.040 491 W HN 0.278 nan 8.180 nan 0.000 0.735 492 L N -2.678 118.600 121.223 0.092 0.000 1.918 492 L HA 0.154 4.491 4.340 -0.004 0.000 0.150 492 L C 1.572 178.462 176.870 0.033 0.000 1.315 492 L CA 0.709 55.602 54.840 0.088 0.000 1.085 492 L CB -0.763 41.376 42.059 0.133 0.000 2.248 492 L HN -0.252 nan 8.230 nan 0.000 0.481 493 V N 0.776 120.685 119.914 -0.008 0.000 2.295 493 V HA -0.216 3.902 4.120 -0.004 0.000 0.246 493 V C 2.439 178.507 176.094 -0.043 0.000 1.049 493 V CA 2.288 64.574 62.300 -0.023 0.000 1.024 493 V CB -0.585 31.194 31.823 -0.073 0.000 0.648 493 V HN 0.426 nan 8.190 nan 0.000 0.447 494 L N 0.541 121.709 121.223 -0.093 0.000 1.988 494 L HA -0.190 4.148 4.340 -0.004 0.000 0.207 494 L C 2.554 179.361 176.870 -0.105 0.000 1.071 494 L CA 2.559 57.327 54.840 -0.120 0.000 0.744 494 L CB -0.542 41.394 42.059 -0.205 0.000 0.893 494 L HN 0.670 nan 8.230 nan 0.000 0.433 495 C N -2.235 116.996 119.300 -0.115 0.000 2.514 495 C HA 0.190 4.647 4.460 -0.004 0.000 0.271 495 C C 1.205 176.181 174.990 -0.023 0.000 1.399 495 C CA -0.227 58.744 59.018 -0.078 0.000 1.765 495 C CB -0.959 26.735 27.740 -0.075 0.000 1.893 495 C HN 0.583 nan 8.230 nan 0.000 0.531 496 N N 1.046 119.744 118.700 -0.003 0.000 2.711 496 N HA 0.276 5.014 4.740 -0.004 0.000 0.263 496 N C -1.758 173.765 175.510 0.021 0.000 1.667 496 N CA -1.606 51.452 53.050 0.014 0.000 0.785 496 N CB 0.771 39.275 38.487 0.028 0.000 1.231 496 N HN 0.197 nan 8.380 nan 0.000 0.503 497 P HA -0.085 nan 4.420 nan 0.000 0.215 497 P C 1.397 178.713 177.300 0.026 0.000 1.153 497 P CA 1.165 64.276 63.100 0.020 0.000 0.853 497 P CB 0.163 31.868 31.700 0.008 0.000 0.788 498 G N 0.332 109.141 108.800 0.016 0.000 2.418 498 G HA2 -0.244 3.713 3.960 -0.004 0.000 0.217 498 G HA3 -0.244 3.713 3.960 -0.004 0.000 0.217 498 G C 1.546 176.453 174.900 0.011 0.000 1.158 498 G CA 0.625 45.730 45.100 0.009 0.000 0.771 498 G HN 0.223 nan 8.290 nan 0.000 0.545 499 L N 1.475 122.706 121.223 0.014 0.000 2.017 499 L HA 0.156 4.494 4.340 -0.004 0.000 0.208 499 L C 3.088 179.988 176.870 0.050 0.000 1.073 499 L CA 2.141 56.989 54.840 0.014 0.000 0.745 499 L CB -0.935 41.135 42.059 0.020 0.000 0.894 499 L HN 0.243 nan 8.230 nan 0.000 0.432 500 A N -0.982 121.890 122.820 0.087 0.000 1.940 500 A HA -0.257 4.060 4.320 -0.004 0.000 0.219 500 A C 2.254 179.941 177.584 0.171 0.000 1.176 500 A CA 1.834 53.978 52.037 0.178 0.000 0.631 500 A CB -0.637 18.462 19.000 0.165 0.000 0.814 500 A HN 0.547 nan 8.150 nan 0.000 0.446 501 E N 0.518 120.777 120.200 0.099 0.000 2.072 501 E HA -0.132 4.216 4.350 -0.004 0.000 0.190 501 E C 1.826 178.467 176.600 0.069 0.000 0.982 501 E CA 1.449 57.897 56.400 0.080 0.000 0.803 501 E CB -0.473 29.254 29.700 0.045 0.000 0.755 501 E HN 0.750 nan 8.360 nan 0.000 0.453 502 I N -1.839 118.763 120.570 0.053 0.000 2.493 502 I HA -0.097 4.071 4.170 -0.004 0.000 0.254 502 I C 2.071 178.272 176.117 0.141 0.000 1.160 502 I CA 0.979 62.322 61.300 0.072 0.000 1.445 502 I CB -0.297 37.707 38.000 0.007 0.000 1.086 502 I HN 0.005 nan 8.210 nan 0.000 0.433 503 I N 1.987 122.616 120.570 0.098 0.000 2.202 503 I HA -0.182 3.985 4.170 -0.004 0.000 0.242 503 I C 2.968 179.064 176.117 -0.035 0.000 1.091 503 I CA 1.352 62.638 61.300 -0.022 0.000 1.368 503 I CB -0.455 37.384 38.000 -0.268 0.000 1.058 503 I HN 0.302 nan 8.210 nan 0.000 0.410 504 A N 0.242 123.130 122.820 0.113 0.000 2.015 504 A HA -0.198 4.120 4.320 -0.004 0.000 0.219 504 A C 2.153 179.787 177.584 0.083 0.000 1.163 504 A CA 1.384 53.537 52.037 0.195 0.000 0.646 504 A CB -0.540 18.603 19.000 0.238 0.000 0.806 504 A HN 0.425 nan 8.150 nan 0.000 0.448 505 E N -0.659 119.569 120.200 0.046 0.000 2.160 505 E HA -0.198 4.150 4.350 -0.004 0.000 0.195 505 E C 2.114 178.697 176.600 -0.028 0.000 0.991 505 E CA 1.085 57.493 56.400 0.015 0.000 0.810 505 E CB -0.016 29.693 29.700 0.014 0.000 0.742 505 E HN 0.424 nan 8.360 nan 0.000 0.466 506 R N -0.007 120.434 120.500 -0.098 0.000 2.146 506 R HA 0.110 4.448 4.340 -0.004 0.000 0.206 506 R C 2.207 178.483 176.300 -0.040 0.000 1.049 506 R CA 0.710 56.707 56.100 -0.172 0.000 1.029 506 R CB -0.106 29.819 30.300 -0.626 0.000 0.949 506 R HN 0.318 nan 8.270 nan 0.000 0.471 507 I N -2.937 117.623 120.570 -0.016 0.000 4.009 507 I HA 0.438 4.605 4.170 -0.004 0.000 0.331 507 I C 0.307 176.489 176.117 0.109 0.000 1.462 507 I CA 0.009 61.340 61.300 0.052 0.000 1.117 507 I CB 0.673 38.697 38.000 0.039 0.000 1.091 507 I HN 0.145 nan 8.210 nan 0.000 0.410 508 G N 2.159 111.028 108.800 0.116 0.000 2.725 508 G HA2 -0.235 3.723 3.960 -0.004 0.000 0.220 508 G HA3 -0.235 3.723 3.960 -0.004 0.000 0.220 508 G C -0.034 174.996 174.900 0.218 0.000 1.357 508 G CA 0.229 45.407 45.100 0.131 0.000 0.866 508 G HN 0.479 nan 8.290 nan 0.000 0.548 509 E N -0.044 120.226 120.200 0.117 0.000 2.472 509 E HA 0.091 4.439 4.350 -0.004 0.000 0.196 509 E C 2.072 178.613 176.600 -0.098 0.000 1.033 509 E CA 0.458 56.859 56.400 0.003 0.000 0.886 509 E CB 0.190 29.895 29.700 0.007 0.000 0.944 509 E HN 0.658 nan 8.360 nan 0.000 0.492 510 E N 0.443 120.657 120.200 0.024 0.000 2.171 510 E HA -0.244 4.104 4.350 -0.004 0.000 0.197 510 E C 1.754 178.340 176.600 -0.023 0.000 0.997 510 E CA 1.348 57.756 56.400 0.015 0.000 0.810 510 E CB -0.329 29.406 29.700 0.057 0.000 0.738 510 E HN 0.513 nan 8.360 nan 0.000 0.467 511 Y N -0.048 120.263 120.300 0.019 0.000 2.315 511 Y HA -0.146 4.402 4.550 -0.003 0.000 0.288 511 Y C 1.833 177.716 175.900 -0.028 0.000 1.154 511 Y CA 0.751 58.853 58.100 0.004 0.000 1.229 511 Y CB -0.621 37.845 38.460 0.010 0.000 0.980 511 Y HN -0.059 nan 8.280 nan 0.000 0.540 512 I N 0.911 120.969 120.570 -0.853 0.000 2.335 512 I HA -0.242 3.926 4.170 -0.004 0.000 0.251 512 I C 1.477 177.349 176.117 -0.408 0.000 1.129 512 I CA 1.816 62.699 61.300 -0.694 0.000 1.402 512 I CB -0.392 37.103 38.000 -0.840 0.000 1.069 512 I HN 0.453 nan 8.210 nan 0.000 0.424 513 S N -1.823 113.750 115.700 -0.212 0.000 2.754 513 S HA 0.216 4.684 4.470 -0.004 0.000 0.247 513 S C 0.078 174.670 174.600 -0.013 0.000 1.031 513 S CA -0.504 57.649 58.200 -0.078 0.000 1.014 513 S CB 0.324 63.554 63.200 0.052 0.000 0.918 513 S HN 0.322 nan 8.310 nan 0.000 0.519 514 D N 0.624 121.022 120.400 -0.004 0.000 3.449 514 D HA 0.191 4.829 4.640 -0.004 0.000 0.262 514 D C 0.455 176.799 176.300 0.072 0.000 1.343 514 D CA -0.371 53.649 54.000 0.033 0.000 0.787 514 D CB -0.012 40.810 40.800 0.037 0.000 1.412 514 D HN 0.075 nan 8.370 nan 0.000 0.652 515 L N 0.810 122.078 121.223 0.076 0.000 2.263 515 L HA -0.068 4.270 4.340 -0.004 0.000 0.216 515 L C 1.375 178.298 176.870 0.088 0.000 1.111 515 L CA 1.633 56.544 54.840 0.119 0.000 0.773 515 L CB -0.111 42.011 42.059 0.106 0.000 0.906 515 L HN 0.272 nan 8.230 nan 0.000 0.439 516 D N -0.997 119.432 120.400 0.047 0.000 2.309 516 D HA -0.185 4.452 4.640 -0.004 0.000 0.212 516 D C 1.869 178.191 176.300 0.036 0.000 0.968 516 D CA 0.642 54.656 54.000 0.023 0.000 0.882 516 D CB 0.060 40.858 40.800 -0.002 0.000 0.918 516 D HN 0.560 nan 8.370 nan 0.000 0.503 517 Q N 0.005 119.845 119.800 0.066 0.000 2.437 517 Q HA 0.000 4.338 4.340 -0.004 0.000 0.210 517 Q C 2.221 178.248 176.000 0.045 0.000 0.972 517 Q CA 0.132 55.977 55.803 0.071 0.000 0.903 517 Q CB 0.122 28.934 28.738 0.123 0.000 0.967 517 Q HN 0.379 nan 8.270 nan 0.000 0.486 518 L N 0.117 121.362 121.223 0.035 0.000 2.265 518 L HA -0.190 4.148 4.340 -0.004 0.000 0.215 518 L C 2.249 179.116 176.870 -0.005 0.000 1.117 518 L CA 0.922 55.750 54.840 -0.019 0.000 0.782 518 L CB -0.340 41.721 42.059 0.003 0.000 0.914 518 L HN 0.221 nan 8.230 nan 0.000 0.441 519 R N 0.323 120.828 120.500 0.008 0.000 2.159 519 R HA -0.187 4.151 4.340 -0.004 0.000 0.237 519 R C 2.122 178.415 176.300 -0.012 0.000 1.131 519 R CA 1.071 57.172 56.100 0.002 0.000 0.982 519 R CB -0.234 30.065 30.300 -0.001 0.000 0.868 519 R HN 0.416 nan 8.270 nan 0.000 0.453 520 K N 0.660 121.054 120.400 -0.011 0.000 2.152 520 K HA -0.117 4.201 4.320 -0.004 0.000 0.206 520 K C 1.900 178.491 176.600 -0.016 0.000 1.048 520 K CA 1.033 57.309 56.287 -0.019 0.000 0.933 520 K CB -0.154 32.351 32.500 0.008 0.000 0.721 520 K HN 0.197 nan 8.250 nan 0.000 0.447 521 L N 0.955 122.177 121.223 -0.001 0.000 2.456 521 L HA -0.120 4.218 4.340 -0.004 0.000 0.224 521 L C 1.909 178.792 176.870 0.021 0.000 1.148 521 L CA 0.447 55.301 54.840 0.024 0.000 0.825 521 L CB -0.380 41.659 42.059 -0.033 0.000 0.937 521 L HN 0.192 nan 8.230 nan 0.000 0.450 522 L N -1.019 120.194 121.223 -0.017 0.000 2.275 522 L HA -0.135 4.203 4.340 -0.004 0.000 0.215 522 L C 2.449 179.262 176.870 -0.096 0.000 1.119 522 L CA 0.563 55.388 54.840 -0.026 0.000 0.790 522 L CB -0.314 41.730 42.059 -0.025 0.000 0.919 522 L HN 0.210 nan 8.230 nan 0.000 0.443 523 S N -1.037 114.530 115.700 -0.221 0.000 2.469 523 S HA -0.128 4.340 4.470 -0.004 0.000 0.238 523 S C 1.017 175.286 174.600 -0.552 0.000 0.998 523 S CA 0.964 58.911 58.200 -0.422 0.000 0.957 523 S CB -0.163 62.639 63.200 -0.663 0.000 0.764 523 S HN 0.423 nan 8.310 nan 0.000 0.514 524 Y N 0.067 120.287 120.300 -0.132 0.000 2.607 524 Y HA 0.234 4.783 4.550 -0.002 0.000 0.266 524 Y C 1.763 177.685 175.900 0.036 0.000 1.178 524 Y CA -0.647 57.387 58.100 -0.110 0.000 1.226 524 Y CB -0.404 37.818 38.460 -0.396 0.000 1.144 524 Y HN 0.160 nan 8.280 nan 0.000 0.528 525 V N -2.486 117.498 119.914 0.117 0.000 2.594 525 V HA -0.179 3.939 4.120 -0.004 0.000 0.253 525 V C 0.815 176.973 176.094 0.107 0.000 1.069 525 V CA 2.118 64.490 62.300 0.121 0.000 1.082 525 V CB -0.017 31.843 31.823 0.061 0.000 0.680 525 V HN 0.233 nan 8.190 nan 0.000 0.469 526 D N 0.027 120.476 120.400 0.082 0.000 2.462 526 D HA 0.165 4.803 4.640 -0.004 0.000 0.221 526 D C 0.143 176.499 176.300 0.092 0.000 1.173 526 D CA 0.114 54.154 54.000 0.067 0.000 0.831 526 D CB 0.198 41.015 40.800 0.029 0.000 1.001 526 D HN 0.572 nan 8.370 nan 0.000 0.499 527 D N 1.836 122.332 120.400 0.159 0.000 2.347 527 D HA 0.005 4.642 4.640 -0.004 0.000 0.235 527 D C 1.153 177.559 176.300 0.177 0.000 1.149 527 D CA -0.101 54.016 54.000 0.195 0.000 0.850 527 D CB 1.292 42.299 40.800 0.345 0.000 1.061 527 D HN -0.136 nan 8.370 nan 0.000 0.487 528 E N 2.902 123.170 120.200 0.114 0.000 2.118 528 E HA -0.182 4.165 4.350 -0.004 0.000 0.195 528 E C 1.648 178.296 176.600 0.079 0.000 0.992 528 E CA 0.921 57.369 56.400 0.081 0.000 0.804 528 E CB -0.115 29.617 29.700 0.053 0.000 0.741 528 E HN 0.638 nan 8.360 nan 0.000 0.458 529 A N 0.871 123.750 122.820 0.098 0.000 1.873 529 A HA -0.141 4.176 4.320 -0.004 0.000 0.215 529 A C 2.067 179.706 177.584 0.091 0.000 1.186 529 A CA 1.035 53.119 52.037 0.078 0.000 0.616 529 A CB -0.775 18.270 19.000 0.075 0.000 0.823 529 A HN 0.223 nan 8.150 nan 0.000 0.442 530 F N 0.606 120.543 119.950 -0.021 0.000 2.134 530 F HA -0.129 4.396 4.527 -0.003 0.000 0.299 530 F C 2.003 177.794 175.800 -0.015 0.000 1.097 530 F CA 1.438 59.406 58.000 -0.053 0.000 1.264 530 F CB -0.276 38.676 39.000 -0.080 0.000 1.001 530 F HN 0.168 nan 8.300 nan 0.000 0.479 531 I N -0.032 120.570 120.570 0.053 0.000 2.163 531 I HA -0.347 3.821 4.170 -0.004 0.000 0.243 531 I C 2.742 178.806 176.117 -0.089 0.000 1.085 531 I CA 1.661 62.945 61.300 -0.026 0.000 1.347 531 I CB -0.553 37.474 38.000 0.045 0.000 1.044 531 I HN 0.091 nan 8.210 nan 0.000 0.408 532 R N 0.999 121.465 120.500 -0.056 0.000 2.073 532 R HA -0.207 4.130 4.340 -0.004 0.000 0.234 532 R C 1.776 178.010 176.300 -0.110 0.000 1.134 532 R CA 2.213 58.275 56.100 -0.063 0.000 0.952 532 R CB -0.282 30.000 30.300 -0.032 0.000 0.850 532 R HN 0.304 nan 8.270 nan 0.000 0.433 533 D N 0.117 120.424 120.400 -0.156 0.000 2.144 533 D HA -0.104 4.534 4.640 -0.004 0.000 0.200 533 D C 2.024 178.169 176.300 -0.258 0.000 0.978 533 D CA 0.955 54.843 54.000 -0.187 0.000 0.833 533 D CB -0.170 40.528 40.800 -0.171 0.000 0.961 533 D HN 0.093 nan 8.370 nan 0.000 0.470 534 V N 1.588 121.258 119.914 -0.408 0.000 2.255 534 V HA -0.271 3.847 4.120 -0.004 0.000 0.247 534 V C 2.567 178.564 176.094 -0.162 0.000 1.051 534 V CA 2.018 64.108 62.300 -0.350 0.000 1.018 534 V CB -0.870 30.699 31.823 -0.422 0.000 0.641 534 V HN 0.204 nan 8.190 nan 0.000 0.445 535 A N -0.158 122.590 122.820 -0.121 0.000 1.933 535 A HA -0.271 4.047 4.320 -0.004 0.000 0.218 535 A C 2.352 179.895 177.584 -0.068 0.000 1.175 535 A CA 2.217 54.216 52.037 -0.065 0.000 0.628 535 A CB -0.505 18.460 19.000 -0.057 0.000 0.814 535 A HN 0.590 nan 8.150 nan 0.000 0.444 536 K N -0.190 120.163 120.400 -0.079 0.000 2.025 536 K HA -0.083 4.235 4.320 -0.004 0.000 0.207 536 K C 1.789 178.357 176.600 -0.054 0.000 1.049 536 K CA 1.621 57.871 56.287 -0.062 0.000 0.933 536 K CB -0.347 32.119 32.500 -0.057 0.000 0.714 536 K HN 0.182 nan 8.250 nan 0.000 0.438 537 V N 2.006 121.880 119.914 -0.067 0.000 2.287 537 V HA -0.269 3.849 4.120 -0.004 0.000 0.248 537 V C 2.506 178.582 176.094 -0.030 0.000 1.053 537 V CA 2.247 64.518 62.300 -0.048 0.000 1.027 537 V CB -0.557 31.229 31.823 -0.062 0.000 0.646 537 V HN 0.420 nan 8.190 nan 0.000 0.447 538 K N 0.420 120.801 120.400 -0.032 0.000 2.032 538 K HA -0.260 4.058 4.320 -0.004 0.000 0.209 538 K C 2.162 178.740 176.600 -0.037 0.000 1.048 538 K CA 2.031 58.309 56.287 -0.015 0.000 0.927 538 K CB -0.521 31.986 32.500 0.011 0.000 0.712 538 K HN 0.421 nan 8.250 nan 0.000 0.441 539 Q N 0.902 120.671 119.800 -0.051 0.000 2.124 539 Q HA -0.127 4.210 4.340 -0.004 0.000 0.202 539 Q C 1.599 177.581 176.000 -0.030 0.000 0.977 539 Q CA 2.005 57.770 55.803 -0.064 0.000 0.850 539 Q CB -0.060 28.641 28.738 -0.061 0.000 0.901 539 Q HN 0.543 nan 8.270 nan 0.000 0.429 540 E N -0.422 119.770 120.200 -0.012 0.000 2.077 540 E HA -0.156 4.191 4.350 -0.004 0.000 0.193 540 E C 1.754 178.378 176.600 0.041 0.000 0.989 540 E CA 1.030 57.437 56.400 0.012 0.000 0.800 540 E CB -0.109 29.595 29.700 0.007 0.000 0.746 540 E HN 0.419 nan 8.360 nan 0.000 0.452 541 N N 1.129 119.852 118.700 0.039 0.000 2.166 541 N HA -0.137 4.601 4.740 -0.004 0.000 0.186 541 N C 1.478 177.074 175.510 0.144 0.000 1.019 541 N CA 1.077 54.174 53.050 0.078 0.000 0.856 541 N CB -0.094 38.425 38.487 0.053 0.000 0.993 541 N HN 0.154 nan 8.380 nan 0.000 0.426 542 K N 0.504 120.952 120.400 0.080 0.000 2.097 542 K HA 0.047 4.365 4.320 -0.004 0.000 0.205 542 K C 2.068 178.803 176.600 0.225 0.000 1.050 542 K CA 0.600 56.958 56.287 0.119 0.000 0.938 542 K CB -0.092 32.206 32.500 -0.336 0.000 0.718 542 K HN 0.112 nan 8.250 nan 0.000 0.442 543 L N 1.052 122.346 121.223 0.118 0.000 2.056 543 L HA -0.163 4.174 4.340 -0.004 0.000 0.207 543 L C 2.574 179.534 176.870 0.150 0.000 1.078 543 L CA 1.211 56.123 54.840 0.120 0.000 0.749 543 L CB -0.330 41.770 42.059 0.069 0.000 0.901 543 L HN 0.127 nan 8.230 nan 0.000 0.433 544 K N -0.038 120.454 120.400 0.153 0.000 2.057 544 K HA -0.240 4.078 4.320 -0.004 0.000 0.207 544 K C 2.139 178.879 176.600 0.233 0.000 1.049 544 K CA 1.558 57.942 56.287 0.161 0.000 0.931 544 K CB -0.206 32.374 32.500 0.133 0.000 0.714 544 K HN 0.074 nan 8.250 nan 0.000 0.440 545 F N 0.979 121.025 119.950 0.161 0.000 2.186 545 F HA -0.035 4.490 4.527 -0.004 0.000 0.299 545 F C 1.963 177.904 175.800 0.235 0.000 1.090 545 F CA 1.254 59.374 58.000 0.200 0.000 1.307 545 F CB -0.481 38.644 39.000 0.209 0.000 1.019 545 F HN 0.103 nan 8.300 nan 0.000 0.489 546 A N 0.170 123.091 122.820 0.168 0.000 1.933 546 A HA -0.030 4.287 4.320 -0.004 0.000 0.218 546 A C 2.397 179.978 177.584 -0.006 0.000 1.175 546 A CA 1.625 53.692 52.037 0.049 0.000 0.628 546 A CB -1.463 17.637 19.000 0.166 0.000 0.814 546 A HN 0.445 nan 8.150 nan 0.000 0.444 547 A N -1.428 121.423 122.820 0.051 0.000 1.930 547 A HA -0.079 4.239 4.320 -0.004 0.000 0.217 547 A C 2.121 179.718 177.584 0.021 0.000 1.175 547 A CA 1.589 53.654 52.037 0.046 0.000 0.627 547 A CB -0.770 18.275 19.000 0.075 0.000 0.815 547 A HN 0.770 nan 8.150 nan 0.000 0.443 548 Y N 0.243 120.478 120.300 -0.109 0.000 2.181 548 Y HA -0.121 4.426 4.550 -0.004 0.000 0.288 548 Y C 1.924 177.739 175.900 -0.142 0.000 1.146 548 Y CA 1.759 59.787 58.100 -0.120 0.000 1.164 548 Y CB -0.258 38.122 38.460 -0.133 0.000 0.982 548 Y HN 0.195 nan 8.280 nan 0.000 0.515 549 L N 0.045 121.078 121.223 -0.316 0.000 2.056 549 L HA -0.172 4.165 4.340 -0.004 0.000 0.207 549 L C 2.483 179.261 176.870 -0.153 0.000 1.078 549 L CA 1.839 56.509 54.840 -0.283 0.000 0.749 549 L CB -0.458 41.408 42.059 -0.321 0.000 0.901 549 L HN 0.263 nan 8.230 nan 0.000 0.433 550 E N 0.589 120.725 120.200 -0.107 0.000 2.051 550 E HA -0.272 4.076 4.350 -0.004 0.000 0.192 550 E C 2.234 178.789 176.600 -0.075 0.000 0.991 550 E CA 1.524 57.901 56.400 -0.038 0.000 0.799 550 E CB -0.077 29.633 29.700 0.017 0.000 0.748 550 E HN 0.228 nan 8.360 nan 0.000 0.449 551 R N -0.141 120.289 120.500 -0.116 0.000 2.066 551 R HA -0.104 4.234 4.340 -0.004 0.000 0.232 551 R C 1.780 177.949 176.300 -0.219 0.000 1.131 551 R CA 1.661 57.683 56.100 -0.131 0.000 0.955 551 R CB -0.081 30.157 30.300 -0.103 0.000 0.851 551 R HN 0.109 nan 8.270 nan 0.000 0.432 552 E N -0.741 119.224 120.200 -0.392 0.000 2.216 552 E HA -0.064 4.284 4.350 -0.004 0.000 0.192 552 E C 0.950 177.152 176.600 -0.663 0.000 0.973 552 E CA 0.929 56.975 56.400 -0.589 0.000 0.851 552 E CB 0.251 29.378 29.700 -0.955 0.000 0.804 552 E HN 0.489 nan 8.360 nan 0.000 0.477 553 Y N -0.014 120.138 120.300 -0.246 0.000 2.527 553 Y HA 0.232 4.780 4.550 -0.004 0.000 0.247 553 Y C 0.296 176.147 175.900 -0.081 0.000 1.138 553 Y CA -0.484 57.539 58.100 -0.129 0.000 1.228 553 Y CB 0.791 39.184 38.460 -0.111 0.000 1.252 553 Y HN -0.256 nan 8.280 nan 0.000 0.531 554 K N 0.246 120.653 120.400 0.011 0.000 3.069 554 K HA -0.138 4.180 4.320 -0.004 0.000 0.267 554 K C -0.779 175.851 176.600 0.050 0.000 1.082 554 K CA 0.404 56.701 56.287 0.017 0.000 0.782 554 K CB -2.060 30.448 32.500 0.013 0.000 1.230 554 K HN 0.112 nan 8.250 nan 0.000 0.488 555 V N 1.411 121.354 119.914 0.048 0.000 2.427 555 V HA 0.202 4.319 4.120 -0.004 0.000 0.286 555 V C 0.659 176.784 176.094 0.052 0.000 1.034 555 V CA -0.707 61.619 62.300 0.044 0.000 0.893 555 V CB 1.684 33.511 31.823 0.007 0.000 0.982 555 V HN 0.261 nan 8.190 nan 0.000 0.452 556 H N 6.279 125.341 119.070 -0.013 0.000 2.519 556 H HA 0.595 5.148 4.556 -0.004 0.000 0.316 556 H C -0.778 174.544 175.328 -0.009 0.000 1.065 556 H CA -0.516 55.528 56.048 -0.007 0.000 1.264 556 H CB 1.421 31.187 29.762 0.006 0.000 1.413 556 H HN 0.731 nan 8.280 nan 0.000 0.465 557 I N 2.134 122.355 120.570 -0.583 0.000 2.740 557 I HA 0.345 4.513 4.170 -0.004 0.000 0.303 557 I C -0.357 175.482 176.117 -0.463 0.000 1.044 557 I CA -1.305 59.738 61.300 -0.428 0.000 1.064 557 I CB 1.965 39.819 38.000 -0.243 0.000 1.249 557 I HN 0.375 nan 8.210 nan 0.000 0.433 558 N N 6.287 124.874 118.700 -0.188 0.000 2.401 558 N HA 0.293 5.030 4.740 -0.004 0.000 0.255 558 N C -1.641 173.965 175.510 0.161 0.000 1.110 558 N CA -2.481 50.559 53.050 -0.018 0.000 0.949 558 N CB 0.882 39.386 38.487 0.028 0.000 1.110 558 N HN 0.448 nan 8.380 nan 0.000 0.490 559 P HA -0.089 nan 4.420 nan 0.000 0.220 559 P C -0.564 176.714 177.300 -0.038 0.000 1.148 559 P CA 1.142 64.302 63.100 0.100 0.000 0.803 559 P CB 0.116 31.859 31.700 0.072 0.000 0.782 560 N N 0.314 119.021 118.700 0.012 0.000 2.758 560 N HA 0.136 4.873 4.740 -0.004 0.000 0.293 560 N C -0.245 175.280 175.510 0.025 0.000 1.273 560 N CA -0.293 52.758 53.050 0.001 0.000 1.022 560 N CB 0.003 38.504 38.487 0.023 0.000 1.334 560 N HN 0.147 nan 8.380 nan 0.000 0.519 561 S N -0.690 115.017 115.700 0.012 0.000 2.570 561 S HA 0.381 4.848 4.470 -0.004 0.000 0.286 561 S C -0.506 174.040 174.600 -0.090 0.000 1.099 561 S CA -1.081 57.124 58.200 0.008 0.000 0.913 561 S CB 1.463 64.712 63.200 0.082 0.000 1.085 561 S HN 0.250 nan 8.310 nan 0.000 0.480 562 L N 2.774 123.805 121.223 -0.319 0.000 2.462 562 L HA 0.371 4.709 4.340 -0.004 0.000 0.272 562 L C -1.189 175.635 176.870 -0.077 0.000 1.166 562 L CA -0.434 54.033 54.840 -0.622 0.000 0.880 562 L CB -0.197 41.245 42.059 -1.029 0.000 1.142 562 L HN 0.663 nan 8.230 nan 0.000 0.473 563 F N 3.821 123.640 119.950 -0.218 0.000 2.375 563 F HA 0.211 4.736 4.527 -0.003 0.000 0.362 563 F C 0.344 176.076 175.800 -0.113 0.000 1.129 563 F CA -1.114 56.816 58.000 -0.118 0.000 1.154 563 F CB 0.370 39.342 39.000 -0.047 0.000 1.205 563 F HN 0.434 nan 8.300 nan 0.000 0.513 564 D N 4.014 124.423 120.400 0.015 0.000 2.412 564 D HA 0.426 5.063 4.640 -0.004 0.000 0.224 564 D C -1.106 175.144 176.300 -0.084 0.000 1.093 564 D CA -0.142 53.825 54.000 -0.056 0.000 0.850 564 D CB 1.101 41.849 40.800 -0.085 0.000 1.046 564 D HN 0.154 nan 8.370 nan 0.000 0.507 565 V N 4.362 124.215 119.914 -0.102 0.000 2.540 565 V HA 0.400 4.518 4.120 -0.004 0.000 0.302 565 V C -0.228 175.738 176.094 -0.214 0.000 1.035 565 V CA -0.864 61.362 62.300 -0.122 0.000 0.873 565 V CB 1.726 33.565 31.823 0.027 0.000 0.992 565 V HN 0.537 nan 8.190 nan 0.000 0.428 566 Q N 3.665 123.345 119.800 -0.199 0.000 2.464 566 Q HA 0.626 4.963 4.340 -0.004 0.000 0.256 566 Q C -1.353 174.483 176.000 -0.275 0.000 1.020 566 Q CA -0.438 55.231 55.803 -0.222 0.000 0.716 566 Q CB 1.825 30.457 28.738 -0.177 0.000 1.230 566 Q HN 0.811 nan 8.270 nan 0.000 0.494 567 V N 1.560 121.296 119.914 -0.296 0.000 2.444 567 V HA 0.872 4.990 4.120 -0.004 0.000 0.294 567 V C -0.866 174.949 176.094 -0.465 0.000 1.022 567 V CA -0.545 61.365 62.300 -0.650 0.000 0.850 567 V CB 1.149 32.300 31.823 -1.120 0.000 0.992 567 V HN 0.811 nan 8.190 nan 0.000 0.426 568 K N 2.594 122.768 120.400 -0.376 0.000 3.040 568 K HA 0.433 4.751 4.320 -0.004 0.000 0.300 568 K C -1.264 175.339 176.600 0.006 0.000 1.092 568 K CA -1.203 55.049 56.287 -0.058 0.000 0.831 568 K CB 0.853 33.306 32.500 -0.077 0.000 1.469 568 K HN 0.431 nan 8.250 nan 0.000 0.365 569 R N 0.893 121.435 120.500 0.070 0.000 2.679 569 R HA 0.195 4.533 4.340 -0.004 0.000 0.268 569 R C 0.288 176.608 176.300 0.033 0.000 1.044 569 R CA -0.376 55.778 56.100 0.091 0.000 1.105 569 R CB -0.133 30.242 30.300 0.125 0.000 0.989 569 R HN 0.487 nan 8.270 nan 0.000 0.447 570 I N 4.132 124.737 120.570 0.058 0.000 2.436 570 I HA 0.105 4.272 4.170 -0.004 0.000 0.289 570 I C 0.699 176.812 176.117 -0.006 0.000 1.083 570 I CA 0.496 61.790 61.300 -0.010 0.000 1.372 570 I CB -0.363 37.619 38.000 -0.029 0.000 1.408 570 I HN 0.352 nan 8.210 nan 0.000 0.516 571 H N 5.363 124.338 119.070 -0.160 0.000 3.046 571 H HA 0.220 4.774 4.556 -0.004 0.000 0.363 571 H C 0.408 175.614 175.328 -0.204 0.000 1.203 571 H CA -0.379 55.621 56.048 -0.079 0.000 1.169 571 H CB 1.837 31.565 29.762 -0.056 0.000 1.851 571 H HN 0.596 nan 8.280 nan 0.000 0.546 572 E N 2.050 122.260 120.200 0.017 0.000 2.118 572 E HA -0.250 4.098 4.350 -0.004 0.000 0.195 572 E C 1.325 177.717 176.600 -0.346 0.000 0.992 572 E CA 1.856 58.241 56.400 -0.025 0.000 0.804 572 E CB -0.075 29.733 29.700 0.180 0.000 0.741 572 E HN 0.578 nan 8.360 nan 0.000 0.458 573 Y N 0.959 120.849 120.300 -0.683 0.000 2.352 573 Y HA -0.064 4.484 4.550 -0.004 0.000 0.292 573 Y C 1.511 177.185 175.900 -0.377 0.000 1.136 573 Y CA 0.992 58.473 58.100 -1.031 0.000 1.227 573 Y CB -0.137 37.747 38.460 -0.961 0.000 0.991 573 Y HN -0.208 nan 8.280 nan 0.000 0.545 574 K N 0.625 120.634 120.400 -0.653 0.000 2.418 574 K HA 0.113 4.431 4.320 -0.004 0.000 0.195 574 K C 0.050 176.504 176.600 -0.242 0.000 1.035 574 K CA 0.415 56.410 56.287 -0.486 0.000 1.003 574 K CB 0.031 32.208 32.500 -0.538 0.000 0.793 574 K HN 0.202 nan 8.250 nan 0.000 0.494 575 R N 0.371 120.756 120.500 -0.191 0.000 3.267 575 R HA -0.238 4.100 4.340 -0.004 0.000 0.254 575 R C 0.214 176.445 176.300 -0.114 0.000 0.993 575 R CA 0.142 56.173 56.100 -0.115 0.000 0.670 575 R CB -1.976 28.276 30.300 -0.081 0.000 1.125 575 R HN 0.294 nan 8.270 nan 0.000 0.434 576 Q N 0.459 120.190 119.800 -0.116 0.000 2.135 576 Q HA -0.066 4.272 4.340 -0.004 0.000 0.204 576 Q C 2.058 178.016 176.000 -0.071 0.000 0.981 576 Q CA 1.645 57.391 55.803 -0.095 0.000 0.856 576 Q CB 0.011 28.696 28.738 -0.089 0.000 0.902 576 Q HN 0.585 nan 8.270 nan 0.000 0.425 577 L N -0.390 120.795 121.223 -0.064 0.000 2.079 577 L HA -0.205 4.133 4.340 -0.004 0.000 0.210 577 L C 2.104 178.984 176.870 0.017 0.000 1.081 577 L CA 0.629 55.447 54.840 -0.038 0.000 0.752 577 L CB -0.383 41.665 42.059 -0.018 0.000 0.896 577 L HN 0.309 nan 8.230 nan 0.000 0.433 578 L N -0.109 121.119 121.223 0.008 0.000 2.093 578 L HA -0.221 4.117 4.340 -0.004 0.000 0.208 578 L C 2.023 178.961 176.870 0.113 0.000 1.085 578 L CA 1.867 56.729 54.840 0.037 0.000 0.755 578 L CB -0.756 41.231 42.059 -0.120 0.000 0.904 578 L HN 0.270 nan 8.230 nan 0.000 0.435 579 N N -1.631 117.101 118.700 0.054 0.000 2.120 579 N HA -0.237 4.500 4.740 -0.004 0.000 0.188 579 N C 1.934 177.526 175.510 0.136 0.000 1.024 579 N CA 1.616 54.773 53.050 0.177 0.000 0.852 579 N CB -0.139 38.383 38.487 0.057 0.000 1.003 579 N HN 0.500 nan 8.380 nan 0.000 0.424 580 C N 0.528 119.844 119.300 0.026 0.000 2.413 580 C HA -0.094 4.363 4.460 -0.004 0.000 0.276 580 C C 2.574 177.560 174.990 -0.007 0.000 1.248 580 C CA 0.440 59.424 59.018 -0.057 0.000 1.742 580 C CB -1.283 26.371 27.740 -0.144 0.000 2.017 580 C HN 0.500 nan 8.230 nan 0.000 0.481 581 L N -0.375 120.910 121.223 0.102 0.000 2.046 581 L HA -0.206 4.132 4.340 -0.004 0.000 0.208 581 L C 2.749 179.784 176.870 0.275 0.000 1.077 581 L CA 1.896 56.849 54.840 0.188 0.000 0.747 581 L CB -1.083 41.150 42.059 0.290 0.000 0.896 581 L HN 0.581 nan 8.230 nan 0.000 0.432 582 H N 0.033 119.221 119.070 0.196 0.000 2.321 582 H HA -0.148 4.405 4.556 -0.004 0.000 0.300 582 H C 2.275 177.596 175.328 -0.012 0.000 1.087 582 H CA 1.994 58.065 56.048 0.038 0.000 1.319 582 H CB 0.273 29.960 29.762 -0.125 0.000 1.379 582 H HN 0.091 nan 8.280 nan 0.000 0.501 583 V N 1.643 121.453 119.914 -0.173 0.000 2.282 583 V HA -0.295 3.823 4.120 -0.004 0.000 0.249 583 V C 2.819 178.835 176.094 -0.130 0.000 1.057 583 V CA 2.053 64.215 62.300 -0.231 0.000 1.032 583 V CB -0.524 31.215 31.823 -0.141 0.000 0.645 583 V HN 0.411 nan 8.190 nan 0.000 0.447 584 I N -0.293 120.247 120.570 -0.051 0.000 2.394 584 I HA -0.199 3.969 4.170 -0.004 0.000 0.251 584 I C 2.459 178.652 176.117 0.128 0.000 1.136 584 I CA 1.577 62.926 61.300 0.082 0.000 1.425 584 I CB -0.681 37.355 38.000 0.059 0.000 1.079 584 I HN 0.323 nan 8.210 nan 0.000 0.425 585 T N 1.502 116.088 114.554 0.054 0.000 2.746 585 T HA -0.114 4.234 4.350 -0.004 0.000 0.267 585 T C 1.962 176.635 174.700 -0.044 0.000 1.039 585 T CA 1.252 63.380 62.100 0.047 0.000 1.142 585 T CB -0.270 68.655 68.868 0.096 0.000 0.866 585 T HN 0.261 nan 8.240 nan 0.000 0.444 586 L N -0.406 120.720 121.223 -0.162 0.000 2.046 586 L HA -0.081 4.257 4.340 -0.004 0.000 0.208 586 L C 2.418 179.259 176.870 -0.047 0.000 1.077 586 L CA 1.524 56.263 54.840 -0.169 0.000 0.747 586 L CB -0.614 41.268 42.059 -0.295 0.000 0.896 586 L HN 0.270 nan 8.230 nan 0.000 0.432 587 Y N 1.378 121.625 120.300 -0.088 0.000 2.200 587 Y HA -0.219 4.328 4.550 -0.004 0.000 0.290 587 Y C 2.460 178.357 175.900 -0.005 0.000 1.137 587 Y CA 1.612 59.699 58.100 -0.021 0.000 1.163 587 Y CB -0.231 38.262 38.460 0.055 0.000 0.988 587 Y HN 0.185 nan 8.280 nan 0.000 0.518 588 N N 0.321 118.984 118.700 -0.062 0.000 2.188 588 N HA -0.112 4.626 4.740 -0.004 0.000 0.184 588 N C 1.887 177.301 175.510 -0.160 0.000 1.018 588 N CA 1.443 54.404 53.050 -0.150 0.000 0.858 588 N CB -0.332 38.144 38.487 -0.018 0.000 0.989 588 N HN 0.417 nan 8.380 nan 0.000 0.426 589 R N 0.465 120.899 120.500 -0.110 0.000 2.075 589 R HA 0.064 4.402 4.340 -0.004 0.000 0.232 589 R C 2.243 178.467 176.300 -0.128 0.000 1.126 589 R CA 0.796 56.835 56.100 -0.102 0.000 0.963 589 R CB -0.339 29.913 30.300 -0.080 0.000 0.858 589 R HN 0.221 nan 8.270 nan 0.000 0.435 590 I N 1.010 121.487 120.570 -0.154 0.000 2.163 590 I HA -0.308 3.860 4.170 -0.004 0.000 0.243 590 I C 2.133 178.142 176.117 -0.180 0.000 1.085 590 I CA 1.270 62.477 61.300 -0.156 0.000 1.347 590 I CB -0.196 37.714 38.000 -0.150 0.000 1.044 590 I HN 0.033 nan 8.210 nan 0.000 0.408 591 K N 1.069 121.301 120.400 -0.279 0.000 2.147 591 K HA -0.147 4.171 4.320 -0.004 0.000 0.205 591 K C 1.974 178.475 176.600 -0.164 0.000 1.049 591 K CA 1.345 57.476 56.287 -0.260 0.000 0.936 591 K CB -0.344 31.918 32.500 -0.397 0.000 0.722 591 K HN 0.346 nan 8.250 nan 0.000 0.446 592 K N 0.501 120.814 120.400 -0.146 0.000 2.097 592 K HA -0.073 4.245 4.320 -0.004 0.000 0.205 592 K C 0.285 176.839 176.600 -0.076 0.000 1.050 592 K CA 1.008 57.235 56.287 -0.101 0.000 0.938 592 K CB 0.146 32.593 32.500 -0.089 0.000 0.718 592 K HN 0.153 nan 8.250 nan 0.000 0.442 593 E N -0.060 120.095 120.200 -0.075 0.000 3.386 593 E HA 0.088 4.436 4.350 -0.004 0.000 0.236 593 E C -2.206 174.362 176.600 -0.053 0.000 1.227 593 E CA -1.313 55.055 56.400 -0.053 0.000 0.970 593 E CB 1.337 31.012 29.700 -0.043 0.000 1.343 593 E HN 0.023 nan 8.360 nan 0.000 0.397 594 P HA -0.174 nan 4.420 nan 0.000 0.219 594 P C 0.618 177.905 177.300 -0.022 0.000 1.146 594 P CA 1.111 64.184 63.100 -0.046 0.000 0.808 594 P CB 0.336 32.012 31.700 -0.040 0.000 0.779 595 N N -0.365 118.329 118.700 -0.010 0.000 2.463 595 N HA -0.041 4.697 4.740 -0.004 0.000 0.181 595 N C 0.846 176.374 175.510 0.031 0.000 1.078 595 N CA 0.419 53.475 53.050 0.011 0.000 0.902 595 N CB -0.147 38.347 38.487 0.011 0.000 0.970 595 N HN 0.307 nan 8.380 nan 0.000 0.451 596 K N 0.898 121.309 120.400 0.017 0.000 2.339 596 K HA 0.042 4.360 4.320 -0.004 0.000 0.286 596 K C -0.555 176.081 176.600 0.059 0.000 1.050 596 K CA -0.446 55.866 56.287 0.041 0.000 0.956 596 K CB 0.359 32.865 32.500 0.010 0.000 0.990 596 K HN -0.171 nan 8.250 nan 0.000 0.475 597 F N 5.648 125.587 119.950 -0.019 0.000 2.538 597 F HA 0.161 4.685 4.527 -0.004 0.000 0.371 597 F C -0.442 175.345 175.800 -0.022 0.000 1.087 597 F CA -0.009 57.981 58.000 -0.018 0.000 1.250 597 F CB 0.531 39.523 39.000 -0.013 0.000 1.110 597 F HN 0.220 nan 8.300 nan 0.000 0.570 598 V N 4.248 123.568 119.914 -0.990 0.000 2.841 598 V HA 0.505 4.623 4.120 -0.004 0.000 0.310 598 V C -0.647 174.817 176.094 -1.049 0.000 1.090 598 V CA -1.284 60.573 62.300 -0.739 0.000 0.930 598 V CB 0.971 32.572 31.823 -0.369 0.000 1.014 598 V HN 0.568 nan 8.190 nan 0.000 0.425 599 V N 4.796 124.385 119.914 -0.541 0.000 2.458 599 V HA 0.153 4.271 4.120 -0.004 0.000 0.287 599 V C -1.825 174.090 176.094 -0.298 0.000 1.009 599 V CA -0.325 61.790 62.300 -0.309 0.000 1.091 599 V CB 0.382 32.139 31.823 -0.110 0.000 0.960 599 V HN 0.892 nan 8.190 nan 0.000 0.476 600 P HA 0.235 nan 4.420 nan 0.000 0.265 600 P C -0.316 176.885 177.300 -0.166 0.000 1.193 600 P CA 0.210 63.210 63.100 -0.166 0.000 0.765 600 P CB 0.463 32.119 31.700 -0.074 0.000 0.823 601 R N 1.247 121.663 120.500 -0.140 0.000 2.725 601 R HA 0.550 4.888 4.340 -0.004 0.000 0.277 601 R C -0.825 175.428 176.300 -0.079 0.000 0.987 601 R CA -0.659 55.362 56.100 -0.132 0.000 0.901 601 R CB 2.040 32.244 30.300 -0.160 0.000 1.207 601 R HN 0.267 nan 8.270 nan 0.000 0.463 602 T N 1.958 116.484 114.554 -0.046 0.000 2.893 602 T HA 0.236 4.584 4.350 -0.004 0.000 0.324 602 T C -0.366 174.252 174.700 -0.136 0.000 1.082 602 T CA -0.448 61.590 62.100 -0.102 0.000 0.983 602 T CB 0.970 69.726 68.868 -0.187 0.000 1.005 602 T HN 0.133 nan 8.240 nan 0.000 0.475 603 V N 6.034 125.870 119.914 -0.130 0.000 2.406 603 V HA 0.437 4.555 4.120 -0.004 0.000 0.272 603 V C 0.099 176.108 176.094 -0.142 0.000 1.043 603 V CA -0.373 61.854 62.300 -0.122 0.000 0.915 603 V CB 0.609 32.371 31.823 -0.101 0.000 0.988 603 V HN 0.838 nan 8.190 nan 0.000 0.466 604 M N 6.874 126.379 119.600 -0.159 0.000 2.253 604 M HA 0.632 5.110 4.480 -0.004 0.000 0.314 604 M C -1.071 175.107 176.300 -0.204 0.000 1.019 604 M CA -0.231 54.959 55.300 -0.184 0.000 0.932 604 M CB 2.119 34.595 32.600 -0.207 0.000 1.606 604 M HN 0.380 nan 8.290 nan 0.000 0.430 605 I N 1.721 122.148 120.570 -0.239 0.000 2.498 605 I HA 0.865 5.032 4.170 -0.004 0.000 0.290 605 I C 0.119 175.880 176.117 -0.592 0.000 1.032 605 I CA -0.561 60.569 61.300 -0.284 0.000 1.073 605 I CB 2.328 40.251 38.000 -0.129 0.000 1.251 605 I HN 0.837 nan 8.210 nan 0.000 0.426 606 G N 2.855 111.279 108.800 -0.626 0.000 2.690 606 G HA2 0.849 4.806 3.960 -0.004 0.000 0.291 606 G HA3 0.849 4.806 3.960 -0.004 0.000 0.291 606 G C -1.003 173.615 174.900 -0.470 0.000 1.403 606 G CA -0.739 43.836 45.100 -0.876 0.000 0.864 606 G HN 0.998 nan 8.290 nan 0.000 0.480 607 G N -0.547 108.149 108.800 -0.174 0.000 2.337 607 G HA2 0.385 4.342 3.960 -0.004 0.000 0.310 607 G HA3 0.385 4.342 3.960 -0.004 0.000 0.310 607 G C -1.222 173.837 174.900 0.264 0.000 1.534 607 G CA -1.016 44.152 45.100 0.113 0.000 0.982 607 G HN 0.604 nan 8.290 nan 0.000 0.672 608 K N -0.166 120.367 120.400 0.222 0.000 2.098 608 K HA 0.738 5.056 4.320 -0.004 0.000 0.261 608 K C 0.327 177.067 176.600 0.233 0.000 0.987 608 K CA -0.053 56.373 56.287 0.230 0.000 0.916 608 K CB 1.855 34.373 32.500 0.032 0.000 1.039 608 K HN 0.896 nan 8.250 nan 0.000 0.455 609 A N 1.433 124.426 122.820 0.288 0.000 2.304 609 A HA 0.610 4.928 4.320 -0.004 0.000 0.323 609 A C -0.468 177.292 177.584 0.294 0.000 1.195 609 A CA -0.723 51.430 52.037 0.194 0.000 0.826 609 A CB 0.978 20.024 19.000 0.076 0.000 1.184 609 A HN 0.763 nan 8.150 nan 0.000 0.496 610 A N 4.164 127.148 122.820 0.273 0.000 2.520 610 A HA 0.540 4.858 4.320 -0.004 0.000 0.245 610 A C -2.309 175.370 177.584 0.159 0.000 1.072 610 A CA -1.008 51.186 52.037 0.261 0.000 0.761 610 A CB -0.624 18.496 19.000 0.200 0.000 1.004 610 A HN 0.589 nan 8.150 nan 0.000 0.499 611 P HA 0.242 nan 4.420 nan 0.000 0.264 611 P C 1.018 178.319 177.300 0.002 0.000 1.193 611 P CA 1.554 64.624 63.100 -0.049 0.000 0.763 611 P CB 0.685 32.290 31.700 -0.160 0.000 0.810 612 G N 1.988 110.794 108.800 0.010 0.000 2.213 612 G HA2 -0.273 3.685 3.960 -0.004 0.000 0.236 612 G HA3 -0.273 3.685 3.960 -0.004 0.000 0.236 612 G C -0.258 174.683 174.900 0.068 0.000 0.991 612 G CA -0.323 44.789 45.100 0.020 0.000 0.629 612 G HN 0.569 nan 8.290 nan 0.000 0.517 613 Y N 2.551 122.801 120.300 -0.082 0.000 2.650 613 Y HA 0.556 5.104 4.550 -0.004 0.000 0.343 613 Y C 1.367 177.260 175.900 -0.011 0.000 1.078 613 Y CA -0.897 57.140 58.100 -0.104 0.000 1.356 613 Y CB -0.255 38.108 38.460 -0.161 0.000 1.204 613 Y HN 0.373 nan 8.280 nan 0.000 0.508 614 H N 3.971 123.144 119.070 0.172 0.000 2.289 614 H HA -0.249 4.304 4.556 -0.004 0.000 0.296 614 H C 1.971 177.309 175.328 0.017 0.000 1.091 614 H CA 3.057 59.154 56.048 0.082 0.000 1.274 614 H CB 0.216 30.028 29.762 0.083 0.000 1.364 614 H HN 0.611 nan 8.280 nan 0.000 0.490 615 M N 0.305 119.897 119.600 -0.013 0.000 2.108 615 M HA -0.083 4.395 4.480 -0.004 0.000 0.261 615 M C 2.388 178.428 176.300 -0.432 0.000 1.066 615 M CA 1.898 57.092 55.300 -0.177 0.000 1.107 615 M CB -0.820 31.786 32.600 0.010 0.000 1.356 615 M HN 0.411 nan 8.290 nan 0.000 0.406 616 A N -0.634 121.661 122.820 -0.875 0.000 1.902 616 A HA -0.199 4.119 4.320 -0.004 0.000 0.217 616 A C 2.240 179.615 177.584 -0.348 0.000 1.181 616 A CA 1.915 53.502 52.037 -0.751 0.000 0.623 616 A CB -0.640 17.744 19.000 -1.026 0.000 0.818 616 A HN 0.569 nan 8.150 nan 0.000 0.443 617 K N -1.219 119.030 120.400 -0.252 0.000 2.148 617 K HA -0.026 4.292 4.320 -0.004 0.000 0.204 617 K C 1.899 178.453 176.600 -0.077 0.000 1.050 617 K CA 1.198 57.429 56.287 -0.093 0.000 0.942 617 K CB -0.163 32.340 32.500 0.004 0.000 0.724 617 K HN 0.344 nan 8.250 nan 0.000 0.446 618 M N 0.307 119.809 119.600 -0.164 0.000 2.319 618 M HA -0.053 4.425 4.480 -0.004 0.000 0.265 618 M C 1.988 178.205 176.300 -0.137 0.000 1.068 618 M CA 1.314 56.549 55.300 -0.108 0.000 1.118 618 M CB -0.477 32.054 32.600 -0.115 0.000 1.395 618 M HN 0.129 nan 8.290 nan 0.000 0.435 619 I N -0.217 120.238 120.570 -0.190 0.000 2.252 619 I HA -0.272 3.896 4.170 -0.004 0.000 0.245 619 I C 2.265 178.241 176.117 -0.234 0.000 1.102 619 I CA 0.946 62.125 61.300 -0.203 0.000 1.385 619 I CB -0.277 37.610 38.000 -0.188 0.000 1.064 619 I HN 0.145 nan 8.210 nan 0.000 0.414 620 I N 0.853 121.265 120.570 -0.262 0.000 2.163 620 I HA -0.322 3.846 4.170 -0.004 0.000 0.243 620 I C 2.574 178.400 176.117 -0.484 0.000 1.085 620 I CA 1.386 62.425 61.300 -0.434 0.000 1.347 620 I CB -0.269 37.432 38.000 -0.497 0.000 1.044 620 I HN 0.145 nan 8.210 nan 0.000 0.408 621 K N 1.068 121.193 120.400 -0.459 0.000 2.147 621 K HA -0.186 4.132 4.320 -0.004 0.000 0.205 621 K C 1.895 178.300 176.600 -0.324 0.000 1.049 621 K CA 1.311 57.249 56.287 -0.581 0.000 0.936 621 K CB -0.366 31.453 32.500 -1.136 0.000 0.722 621 K HN 0.147 nan 8.250 nan 0.000 0.446 622 L N 0.550 121.572 121.223 -0.334 0.000 2.072 622 L HA 0.046 4.384 4.340 -0.004 0.000 0.205 622 L C 1.854 178.461 176.870 -0.437 0.000 1.079 622 L CA 1.505 55.980 54.840 -0.610 0.000 0.752 622 L CB -0.363 41.236 42.059 -0.767 0.000 0.906 622 L HN 0.242 nan 8.230 nan 0.000 0.436 623 I N -0.433 119.949 120.570 -0.313 0.000 2.127 623 I HA -0.344 3.824 4.170 -0.004 0.000 0.241 623 I C 2.488 178.499 176.117 -0.176 0.000 1.075 623 I CA 1.945 63.125 61.300 -0.200 0.000 1.334 623 I CB -0.995 36.986 38.000 -0.032 0.000 1.040 623 I HN 0.470 nan 8.210 nan 0.000 0.405 624 T N -0.650 113.780 114.554 -0.206 0.000 2.788 624 T HA -0.117 4.231 4.350 -0.004 0.000 0.268 624 T C 1.961 176.585 174.700 -0.128 0.000 1.044 624 T CA 1.053 63.060 62.100 -0.154 0.000 1.139 624 T CB -0.531 68.217 68.868 -0.199 0.000 0.867 624 T HN 0.360 nan 8.240 nan 0.000 0.454 625 A N 1.216 123.949 122.820 -0.145 0.000 1.969 625 A HA 0.190 4.508 4.320 -0.004 0.000 0.218 625 A C 2.347 179.907 177.584 -0.040 0.000 1.169 625 A CA 1.060 53.071 52.037 -0.043 0.000 0.635 625 A CB -0.772 18.287 19.000 0.097 0.000 0.810 625 A HN 0.575 nan 8.150 nan 0.000 0.445 626 I N -0.182 120.258 120.570 -0.216 0.000 2.142 626 I HA -0.216 3.952 4.170 -0.004 0.000 0.240 626 I C 2.742 178.777 176.117 -0.136 0.000 1.078 626 I CA 1.293 62.427 61.300 -0.277 0.000 1.343 626 I CB -0.609 37.118 38.000 -0.454 0.000 1.046 626 I HN 0.377 nan 8.210 nan 0.000 0.405 627 G N 0.295 109.012 108.800 -0.139 0.000 2.469 627 G HA2 -0.280 3.678 3.960 -0.004 0.000 0.219 627 G HA3 -0.280 3.678 3.960 -0.004 0.000 0.219 627 G C 1.280 176.115 174.900 -0.107 0.000 1.150 627 G CA 1.133 46.157 45.100 -0.128 0.000 0.763 627 G HN 0.303 nan 8.290 nan 0.000 0.561 628 D N 0.027 120.413 120.400 -0.023 0.000 2.149 628 D HA -0.092 4.546 4.640 -0.004 0.000 0.198 628 D C 2.695 179.052 176.300 0.096 0.000 0.990 628 D CA 0.862 54.915 54.000 0.089 0.000 0.839 628 D CB -0.200 40.640 40.800 0.067 0.000 0.948 628 D HN 0.274 nan 8.370 nan 0.000 0.460 629 V N 0.266 120.162 119.914 -0.030 0.000 2.300 629 V HA -0.135 3.983 4.120 -0.004 0.000 0.241 629 V C 2.652 178.639 176.094 -0.179 0.000 1.034 629 V CA 0.686 62.907 62.300 -0.133 0.000 1.021 629 V CB -0.372 31.254 31.823 -0.329 0.000 0.662 629 V HN 0.009 nan 8.190 nan 0.000 0.458 630 V N 1.210 120.948 119.914 -0.294 0.000 2.287 630 V HA -0.257 3.861 4.120 -0.004 0.000 0.248 630 V C 2.188 178.186 176.094 -0.160 0.000 1.053 630 V CA 2.253 64.361 62.300 -0.320 0.000 1.027 630 V CB -0.923 30.724 31.823 -0.294 0.000 0.646 630 V HN 0.585 nan 8.190 nan 0.000 0.447 631 N N -0.470 118.072 118.700 -0.264 0.000 2.512 631 N HA -0.095 4.642 4.740 -0.004 0.000 0.183 631 N C 1.301 176.524 175.510 -0.479 0.000 1.073 631 N CA 0.989 53.815 53.050 -0.373 0.000 0.911 631 N CB -0.306 37.892 38.487 -0.482 0.000 0.964 631 N HN 0.705 nan 8.380 nan 0.000 0.447 632 H N -1.355 117.715 119.070 0.000 0.000 2.672 632 H HA 0.183 4.736 4.556 -0.004 0.000 0.277 632 H C -0.418 174.929 175.328 0.032 0.000 1.074 632 H CA -0.469 55.585 56.048 0.011 0.000 1.173 632 H CB 0.611 30.367 29.762 -0.009 0.000 1.558 632 H HN -0.020 nan 8.280 nan 0.000 0.539 633 D N 2.173 122.645 120.400 0.121 0.000 2.339 633 D HA 0.022 4.660 4.640 -0.004 0.000 0.241 633 D C -1.474 174.893 176.300 0.111 0.000 1.183 633 D CA -2.236 51.854 54.000 0.151 0.000 0.859 633 D CB 1.597 42.561 40.800 0.273 0.000 1.067 633 D HN 0.134 nan 8.370 nan 0.000 0.484 634 P HA -0.127 nan 4.420 nan 0.000 0.220 634 P C 1.549 178.879 177.300 0.049 0.000 1.148 634 P CA 0.408 63.545 63.100 0.062 0.000 0.803 634 P CB 0.424 32.155 31.700 0.051 0.000 0.782 635 V N -0.233 119.710 119.914 0.048 0.000 2.427 635 V HA -0.160 3.957 4.120 -0.004 0.000 0.248 635 V C 2.679 178.785 176.094 0.019 0.000 1.051 635 V CA 1.515 63.828 62.300 0.022 0.000 1.048 635 V CB -0.995 30.829 31.823 0.002 0.000 0.666 635 V HN -0.029 nan 8.190 nan 0.000 0.456 636 V N -0.157 119.786 119.914 0.049 0.000 2.346 636 V HA 0.141 4.259 4.120 -0.004 0.000 0.244 636 V C 1.927 178.039 176.094 0.030 0.000 1.037 636 V CA 1.411 63.740 62.300 0.048 0.000 1.029 636 V CB -1.307 30.595 31.823 0.131 0.000 0.663 636 V HN 0.691 nan 8.190 nan 0.000 0.454 637 G N 1.934 110.758 108.800 0.041 0.000 2.634 637 G HA2 -0.414 3.543 3.960 -0.004 0.000 0.309 637 G HA3 -0.414 3.543 3.960 -0.004 0.000 0.309 637 G C 0.476 175.392 174.900 0.026 0.000 1.265 637 G CA 0.615 45.736 45.100 0.035 0.000 0.998 637 G HN 0.672 nan 8.290 nan 0.000 0.551 638 D N 0.720 121.138 120.400 0.030 0.000 2.319 638 D HA 0.107 4.745 4.640 -0.004 0.000 0.230 638 D C 1.972 178.270 176.300 -0.003 0.000 1.094 638 D CA 0.333 54.349 54.000 0.026 0.000 0.856 638 D CB -0.201 40.632 40.800 0.056 0.000 0.915 638 D HN 0.629 nan 8.370 nan 0.000 0.517 639 R N -0.641 119.846 120.500 -0.022 0.000 2.193 639 R HA 0.192 4.530 4.340 -0.004 0.000 0.213 639 R C 0.145 176.398 176.300 -0.077 0.000 1.055 639 R CA 0.324 56.384 56.100 -0.066 0.000 0.995 639 R CB 0.149 30.397 30.300 -0.086 0.000 0.893 639 R HN 0.127 nan 8.270 nan 0.000 0.459 640 L N 0.005 121.200 121.223 -0.046 0.000 2.543 640 L HA 0.414 4.752 4.340 -0.004 0.000 0.265 640 L C -1.636 175.203 176.870 -0.052 0.000 0.945 640 L CA -0.661 54.146 54.840 -0.055 0.000 0.869 640 L CB 1.942 43.979 42.059 -0.036 0.000 1.294 640 L HN -0.188 nan 8.230 nan 0.000 0.405 641 R N 3.177 123.630 120.500 -0.078 0.000 2.628 641 R HA 0.888 5.226 4.340 -0.004 0.000 0.288 641 R C -1.801 174.432 176.300 -0.113 0.000 0.980 641 R CA -0.613 55.430 56.100 -0.095 0.000 0.891 641 R CB 2.258 32.502 30.300 -0.093 0.000 1.188 641 R HN 0.475 nan 8.270 nan 0.000 0.450 642 V N 6.226 126.068 119.914 -0.120 0.000 2.407 642 V HA 0.489 4.607 4.120 -0.004 0.000 0.291 642 V C -0.192 175.843 176.094 -0.099 0.000 1.018 642 V CA -0.706 61.525 62.300 -0.117 0.000 0.842 642 V CB 1.167 32.914 31.823 -0.126 0.000 0.996 642 V HN 0.684 nan 8.190 nan 0.000 0.426 643 I N 1.087 121.602 120.570 -0.092 0.000 2.608 643 I HA 0.692 4.859 4.170 -0.004 0.000 0.295 643 I C -1.244 174.853 176.117 -0.034 0.000 1.049 643 I CA -0.822 60.443 61.300 -0.058 0.000 1.063 643 I CB 2.255 40.207 38.000 -0.081 0.000 1.248 643 I HN 0.464 nan 8.210 nan 0.000 0.424 644 F N 6.425 126.311 119.950 -0.106 0.000 2.405 644 F HA 0.555 5.080 4.527 -0.003 0.000 0.355 644 F C -0.628 175.115 175.800 -0.096 0.000 1.121 644 F CA -0.578 57.362 58.000 -0.100 0.000 1.112 644 F CB 1.019 39.964 39.000 -0.092 0.000 1.126 644 F HN 0.382 nan 8.300 nan 0.000 0.481 645 L N 6.199 127.042 121.223 -0.632 0.000 2.283 645 L HA 0.244 4.582 4.340 -0.004 0.000 0.287 645 L C 0.361 176.994 176.870 -0.394 0.000 1.073 645 L CA -0.278 54.318 54.840 -0.407 0.000 0.822 645 L CB 0.700 42.591 42.059 -0.281 0.000 1.186 645 L HN 0.635 nan 8.230 nan 0.000 0.436 646 E N 3.738 123.827 120.200 -0.186 0.000 2.373 646 E HA -0.069 4.278 4.350 -0.004 0.000 0.267 646 E C 0.335 176.977 176.600 0.070 0.000 1.032 646 E CA -0.330 56.095 56.400 0.042 0.000 0.889 646 E CB 0.452 30.175 29.700 0.037 0.000 0.984 646 E HN 0.574 nan 8.360 nan 0.000 0.425 647 N N 2.551 121.375 118.700 0.207 0.000 2.714 647 N HA -0.286 4.452 4.740 -0.004 0.000 0.253 647 N C -1.512 174.100 175.510 0.171 0.000 1.024 647 N CA 0.552 53.722 53.050 0.200 0.000 0.726 647 N CB -1.548 37.083 38.487 0.240 0.000 0.908 647 N HN 0.465 nan 8.380 nan 0.000 0.542 648 Y N 1.582 121.896 120.300 0.023 0.000 2.721 648 Y HA 0.162 4.710 4.550 -0.004 0.000 0.329 648 Y C 1.102 177.030 175.900 0.047 0.000 1.211 648 Y CA 0.574 58.674 58.100 -0.001 0.000 1.512 648 Y CB 0.294 38.717 38.460 -0.061 0.000 1.249 648 Y HN 0.394 nan 8.280 nan 0.000 0.549 649 R N 2.602 122.797 120.500 -0.509 0.000 2.747 649 R HA 0.437 4.775 4.340 -0.004 0.000 0.272 649 R C -0.523 175.505 176.300 -0.453 0.000 1.032 649 R CA -0.628 55.273 56.100 -0.330 0.000 0.896 649 R CB 0.370 30.664 30.300 -0.010 0.000 1.253 649 R HN 0.366 nan 8.270 nan 0.000 0.461 650 V N 1.118 120.788 119.914 -0.406 0.000 2.282 650 V HA -0.303 3.814 4.120 -0.004 0.000 0.249 650 V C 2.564 178.538 176.094 -0.200 0.000 1.057 650 V CA 2.927 64.999 62.300 -0.381 0.000 1.032 650 V CB -0.780 30.715 31.823 -0.547 0.000 0.645 650 V HN 0.937 nan 8.190 nan 0.000 0.447 651 S N -0.245 115.369 115.700 -0.144 0.000 2.419 651 S HA -0.159 4.308 4.470 -0.004 0.000 0.233 651 S C 1.903 176.455 174.600 -0.081 0.000 1.016 651 S CA 1.551 59.687 58.200 -0.107 0.000 0.974 651 S CB -0.457 62.710 63.200 -0.054 0.000 0.786 651 S HN 0.384 nan 8.310 nan 0.000 0.492 652 L N 2.106 123.296 121.223 -0.056 0.000 2.072 652 L HA 0.306 4.644 4.340 -0.004 0.000 0.205 652 L C 2.735 179.628 176.870 0.039 0.000 1.079 652 L CA 1.450 56.300 54.840 0.017 0.000 0.752 652 L CB -1.436 40.701 42.059 0.130 0.000 0.906 652 L HN 0.340 nan 8.230 nan 0.000 0.436 653 A N -0.564 122.267 122.820 0.020 0.000 1.917 653 A HA -0.280 4.038 4.320 -0.004 0.000 0.219 653 A C 2.125 179.790 177.584 0.134 0.000 1.182 653 A CA 2.104 54.226 52.037 0.143 0.000 0.633 653 A CB -0.684 18.404 19.000 0.148 0.000 0.819 653 A HN 0.635 nan 8.150 nan 0.000 0.448 654 E N -0.568 119.677 120.200 0.074 0.000 2.268 654 E HA -0.155 4.193 4.350 -0.004 0.000 0.195 654 E C 1.937 178.512 176.600 -0.041 0.000 0.995 654 E CA 1.163 57.556 56.400 -0.011 0.000 0.836 654 E CB -0.069 29.529 29.700 -0.171 0.000 0.763 654 E HN 0.638 nan 8.360 nan 0.000 0.491 655 K N 0.210 120.575 120.400 -0.058 0.000 2.141 655 K HA 0.021 4.338 4.320 -0.004 0.000 0.202 655 K C 2.193 178.724 176.600 -0.114 0.000 1.045 655 K CA 0.466 56.730 56.287 -0.038 0.000 0.971 655 K CB -0.037 32.410 32.500 -0.089 0.000 0.795 655 K HN -0.047 nan 8.250 nan 0.000 0.459 656 V N 1.944 121.682 119.914 -0.293 0.000 2.488 656 V HA -0.122 3.995 4.120 -0.004 0.000 0.246 656 V C 1.910 177.766 176.094 -0.398 0.000 1.046 656 V CA 1.174 63.054 62.300 -0.699 0.000 1.053 656 V CB -0.166 31.251 31.823 -0.676 0.000 0.679 656 V HN 0.236 nan 8.190 nan 0.000 0.458 657 I N 0.743 121.126 120.570 -0.312 0.000 2.179 657 I HA -0.132 4.036 4.170 -0.004 0.000 0.242 657 I C -0.263 175.716 176.117 -0.229 0.000 1.088 657 I CA 1.591 62.616 61.300 -0.458 0.000 1.357 657 I CB -1.556 36.062 38.000 -0.637 0.000 1.051 657 I HN 0.365 nan 8.210 nan 0.000 0.409 658 P HA -0.113 nan 4.420 nan 0.000 0.225 658 P C 0.961 178.262 177.300 0.003 0.000 1.148 658 P CA 1.221 64.302 63.100 -0.033 0.000 0.779 658 P CB 0.044 31.739 31.700 -0.008 0.000 0.780 659 A N -1.209 121.606 122.820 -0.007 0.000 2.238 659 A HA 0.478 4.796 4.320 -0.004 0.000 0.210 659 A C 1.176 178.857 177.584 0.161 0.000 1.179 659 A CA 0.112 52.199 52.037 0.083 0.000 0.827 659 A CB -0.600 18.484 19.000 0.141 0.000 0.856 659 A HN 0.195 nan 8.150 nan 0.000 0.488 660 A N -0.063 122.844 122.820 0.146 0.000 2.354 660 A HA 0.473 4.790 4.320 -0.004 0.000 0.269 660 A C 0.357 178.086 177.584 0.243 0.000 1.109 660 A CA -0.172 52.016 52.037 0.250 0.000 0.800 660 A CB 0.346 19.585 19.000 0.399 0.000 1.045 660 A HN 0.251 nan 8.150 nan 0.000 0.489 661 D N 0.150 120.694 120.400 0.240 0.000 2.338 661 D HA 0.113 4.751 4.640 -0.004 0.000 0.224 661 D C -0.175 176.356 176.300 0.386 0.000 0.967 661 D CA 0.947 55.142 54.000 0.326 0.000 0.896 661 D CB 0.247 41.133 40.800 0.143 0.000 1.028 661 D HN 0.360 nan 8.370 nan 0.000 0.493 662 L N 0.328 121.659 121.223 0.180 0.000 2.381 662 L HA 0.370 4.707 4.340 -0.004 0.000 0.274 662 L C -0.868 175.913 176.870 -0.148 0.000 0.988 662 L CA -0.507 54.368 54.840 0.058 0.000 0.824 662 L CB 2.244 44.317 42.059 0.023 0.000 1.263 662 L HN -0.296 nan 8.230 nan 0.000 0.410 663 S N 4.031 119.545 115.700 -0.309 0.000 2.420 663 S HA 0.423 4.890 4.470 -0.004 0.000 0.313 663 S C -0.562 173.751 174.600 -0.478 0.000 1.079 663 S CA -0.625 57.120 58.200 -0.758 0.000 1.104 663 S CB 0.185 62.905 63.200 -0.799 0.000 0.969 663 S HN 0.626 nan 8.310 nan 0.000 0.471 664 E N 3.961 123.891 120.200 -0.450 0.000 2.105 664 E HA 0.196 4.544 4.350 -0.004 0.000 0.285 664 E C -0.445 176.037 176.600 -0.197 0.000 1.055 664 E CA -0.274 55.997 56.400 -0.215 0.000 0.843 664 E CB 0.932 30.535 29.700 -0.160 0.000 1.067 664 E HN 0.601 nan 8.360 nan 0.000 0.398 665 Q N 2.761 122.506 119.800 -0.092 0.000 3.122 665 Q HA 0.256 4.594 4.340 -0.004 0.000 0.282 665 Q C 0.517 176.499 176.000 -0.029 0.000 0.947 665 Q CA -0.110 55.647 55.803 -0.076 0.000 0.812 665 Q CB 0.197 28.897 28.738 -0.063 0.000 1.333 665 Q HN 0.602 nan 8.270 nan 0.000 0.430 666 I N -1.639 118.906 120.570 -0.041 0.000 3.637 666 I HA 0.291 4.459 4.170 -0.004 0.000 0.342 666 I C 0.331 176.411 176.117 -0.063 0.000 1.545 666 I CA -0.685 60.605 61.300 -0.017 0.000 1.126 666 I CB 0.364 38.352 38.000 -0.021 0.000 1.375 666 I HN -0.025 nan 8.210 nan 0.000 0.467 667 S N 0.329 115.993 115.700 -0.060 0.000 2.568 667 S HA 0.172 4.640 4.470 -0.004 0.000 0.282 667 S C 0.589 175.188 174.600 -0.001 0.000 1.338 667 S CA -0.310 57.883 58.200 -0.011 0.000 1.045 667 S CB 0.320 63.565 63.200 0.074 0.000 0.873 667 S HN 0.416 nan 8.310 nan 0.000 0.516 668 T N 2.910 117.499 114.554 0.059 0.000 2.908 668 T HA 0.343 4.691 4.350 -0.004 0.000 0.301 668 T C 0.794 175.507 174.700 0.021 0.000 1.019 668 T CA 0.297 62.429 62.100 0.053 0.000 1.152 668 T CB -0.082 68.886 68.868 0.166 0.000 0.966 668 T HN 1.012 nan 8.240 nan 0.000 0.540 669 A N 2.690 125.489 122.820 -0.036 0.000 2.567 669 A HA 0.458 4.775 4.320 -0.004 0.000 0.240 669 A C 1.659 179.231 177.584 -0.020 0.000 1.053 669 A CA 0.289 52.298 52.037 -0.047 0.000 0.755 669 A CB -0.835 18.124 19.000 -0.068 0.000 0.978 669 A HN 1.712 nan 8.150 nan 0.000 0.507 670 G N 1.232 110.018 108.800 -0.024 0.000 2.194 670 G HA2 -0.258 3.700 3.960 -0.004 0.000 0.236 670 G HA3 -0.258 3.700 3.960 -0.004 0.000 0.236 670 G C 0.957 175.835 174.900 -0.036 0.000 0.987 670 G CA 1.116 46.202 45.100 -0.024 0.000 0.635 670 G HN 1.971 nan 8.290 nan 0.000 0.520 671 T N -2.152 112.381 114.554 -0.035 0.000 3.034 671 T HA 0.398 4.746 4.350 -0.004 0.000 0.248 671 T C 0.789 175.325 174.700 -0.275 0.000 1.040 671 T CA 1.180 63.194 62.100 -0.144 0.000 1.107 671 T CB 0.517 69.371 68.868 -0.025 0.000 0.932 671 T HN 0.360 nan 8.240 nan 0.000 0.474 672 E N 1.296 121.469 120.200 -0.046 0.000 2.044 672 E HA 0.669 5.017 4.350 -0.004 0.000 0.282 672 E C 1.139 177.688 176.600 -0.085 0.000 1.031 672 E CA 0.016 56.430 56.400 0.024 0.000 0.824 672 E CB 0.874 30.664 29.700 0.151 0.000 1.076 672 E HN 0.299 nan 8.360 nan 0.000 0.395 673 A N 3.520 126.220 122.820 -0.200 0.000 1.873 673 A HA -0.222 4.096 4.320 -0.004 0.000 0.218 673 A C 1.999 179.476 177.584 -0.178 0.000 1.193 673 A CA 2.335 54.150 52.037 -0.371 0.000 0.629 673 A CB -0.392 18.154 19.000 -0.756 0.000 0.826 673 A HN 0.621 nan 8.150 nan 0.000 0.447 674 S N -3.776 111.864 115.700 -0.101 0.000 3.624 674 S HA 0.461 4.928 4.470 -0.004 0.000 0.244 674 S C 0.790 175.377 174.600 -0.022 0.000 1.115 674 S CA 1.444 59.627 58.200 -0.029 0.000 0.820 674 S CB -0.116 63.089 63.200 0.008 0.000 0.964 674 S HN 2.306 nan 8.310 nan 0.000 0.508 675 G N 0.099 108.893 108.800 -0.009 0.000 2.712 675 G HA2 -0.038 3.919 3.960 -0.004 0.000 0.686 675 G HA3 -0.038 3.919 3.960 -0.004 0.000 0.686 675 G C 0.230 175.113 174.900 -0.028 0.000 1.321 675 G CA 0.436 45.530 45.100 -0.010 0.000 0.813 675 G HN 1.338 nan 8.290 nan 0.000 0.599 676 T N -2.593 111.931 114.554 -0.050 0.000 3.029 676 T HA 0.385 4.733 4.350 -0.004 0.000 0.256 676 T C 2.279 176.886 174.700 -0.156 0.000 0.914 676 T CA 1.214 63.258 62.100 -0.093 0.000 0.880 676 T CB 0.346 69.147 68.868 -0.112 0.000 1.246 676 T HN 1.870 nan 8.240 nan 0.000 0.523 677 G N 3.302 112.040 108.800 -0.104 0.000 2.408 677 G HA2 -0.223 3.735 3.960 -0.004 0.000 0.217 677 G HA3 -0.223 3.735 3.960 -0.004 0.000 0.217 677 G C 1.558 176.517 174.900 0.098 0.000 1.150 677 G CA 1.224 46.286 45.100 -0.063 0.000 0.776 677 G HN 0.655 nan 8.290 nan 0.000 0.542 678 N N 0.873 119.604 118.700 0.051 0.000 2.060 678 N HA -0.157 4.580 4.740 -0.004 0.000 0.195 678 N C 1.436 176.954 175.510 0.014 0.000 1.028 678 N CA 0.991 54.066 53.050 0.041 0.000 0.861 678 N CB -0.689 37.772 38.487 -0.044 0.000 1.029 678 N HN 0.376 nan 8.380 nan 0.000 0.428 682 M N 0.346 120.033 119.600 0.145 0.000 2.159 682 M HA -0.152 4.326 4.480 -0.004 0.000 0.263 682 M C 1.948 178.301 176.300 0.088 0.000 1.063 682 M CA 1.789 57.142 55.300 0.088 0.000 1.110 682 M CB -0.037 32.621 32.600 0.096 0.000 1.374 682 M HN 0.327 nan 8.290 nan 0.000 0.411 683 L N 0.612 121.888 121.223 0.089 0.000 2.291 683 L HA -0.058 4.279 4.340 -0.004 0.000 0.214 683 L C 1.338 178.254 176.870 0.076 0.000 1.120 683 L CA 1.582 56.480 54.840 0.097 0.000 0.799 683 L CB -0.596 41.530 42.059 0.113 0.000 0.925 683 L HN 0.326 nan 8.230 nan 0.000 0.446 684 N N -0.146 118.588 118.700 0.057 0.000 2.235 684 N HA 0.159 4.896 4.740 -0.004 0.000 0.209 684 N C 0.820 176.361 175.510 0.052 0.000 1.122 684 N CA 0.789 53.864 53.050 0.043 0.000 0.845 684 N CB 0.515 39.003 38.487 0.001 0.000 1.004 684 N HN 0.421 nan 8.380 nan 0.000 0.499 685 G N 0.463 109.298 108.800 0.058 0.000 2.142 685 G HA2 -0.190 3.768 3.960 -0.004 0.000 0.225 685 G HA3 -0.190 3.768 3.960 -0.004 0.000 0.225 685 G C -0.013 174.942 174.900 0.092 0.000 1.015 685 G CA 0.125 45.258 45.100 0.055 0.000 0.716 685 G HN 0.515 nan 8.290 nan 0.000 0.508 686 A N -0.428 122.456 122.820 0.106 0.000 2.320 686 A HA 0.901 5.219 4.320 -0.004 0.000 0.334 686 A C 0.294 177.855 177.584 -0.038 0.000 1.147 686 A CA -0.642 51.477 52.037 0.136 0.000 0.820 686 A CB 1.099 20.262 19.000 0.271 0.000 1.218 686 A HN 0.709 nan 8.150 nan 0.000 0.482 687 L N 0.729 121.889 121.223 -0.104 0.000 2.360 687 L HA 0.461 4.798 4.340 -0.004 0.000 0.271 687 L C 0.104 176.833 176.870 -0.235 0.000 1.057 687 L CA -0.404 54.256 54.840 -0.300 0.000 0.803 687 L CB 1.808 43.571 42.059 -0.492 0.000 1.207 687 L HN 0.710 nan 8.230 nan 0.000 0.445 688 T N 2.944 117.264 114.554 -0.390 0.000 2.794 688 T HA 0.469 4.816 4.350 -0.004 0.000 0.280 688 T C -0.428 174.278 174.700 0.011 0.000 0.987 688 T CA -0.247 61.703 62.100 -0.250 0.000 0.993 688 T CB 1.608 70.273 68.868 -0.338 0.000 0.939 688 T HN 0.355 nan 8.240 nan 0.000 0.449 689 I N 2.842 123.445 120.570 0.056 0.000 2.355 689 I HA 0.709 4.877 4.170 -0.004 0.000 0.288 689 I C 0.078 176.366 176.117 0.286 0.000 0.999 689 I CA 0.137 61.566 61.300 0.215 0.000 1.163 689 I CB 0.260 38.324 38.000 0.106 0.000 1.316 689 I HN 0.784 nan 8.210 nan 0.000 0.454 690 G N 3.872 112.894 108.800 0.369 0.000 2.559 690 G HA2 0.459 4.417 3.960 -0.004 0.000 0.291 690 G HA3 0.459 4.417 3.960 -0.004 0.000 0.291 690 G C -0.947 173.841 174.900 -0.186 0.000 1.424 690 G CA -0.399 44.807 45.100 0.176 0.000 0.786 690 G HN 0.554 nan 8.290 nan 0.000 0.485 691 T N -1.346 112.987 114.554 -0.369 0.000 2.874 691 T HA 0.502 4.850 4.350 -0.004 0.000 0.281 691 T C 0.688 175.251 174.700 -0.228 0.000 0.994 691 T CA -0.687 61.126 62.100 -0.479 0.000 1.015 691 T CB 1.089 69.710 68.868 -0.411 0.000 1.028 691 T HN 0.250 nan 8.240 nan 0.000 0.523 692 M N 2.938 122.421 119.600 -0.195 0.000 3.254 692 M HA 0.353 4.831 4.480 -0.004 0.000 0.257 692 M C -0.415 175.823 176.300 -0.103 0.000 1.490 692 M CA -0.091 55.133 55.300 -0.127 0.000 1.620 692 M CB -1.895 30.641 32.600 -0.107 0.000 1.157 692 M HN 0.744 nan 8.290 nan 0.000 0.541 693 D N -0.022 120.323 120.400 -0.092 0.000 2.581 693 D HA 0.689 5.327 4.640 -0.004 0.000 0.232 693 D C 0.664 176.934 176.300 -0.051 0.000 1.143 693 D CA 0.712 54.674 54.000 -0.064 0.000 0.881 693 D CB 1.673 42.438 40.800 -0.058 0.000 1.500 693 D HN 0.587 nan 8.370 nan 0.000 0.458 694 G N 1.232 110.012 108.800 -0.033 0.000 2.602 694 G HA2 -0.223 3.735 3.960 -0.004 0.000 0.306 694 G HA3 -0.223 3.735 3.960 -0.004 0.000 0.306 694 G C 0.974 175.858 174.900 -0.027 0.000 1.301 694 G CA 1.064 46.148 45.100 -0.026 0.000 0.974 694 G HN 1.080 nan 8.290 nan 0.000 0.547 695 A N -0.232 122.567 122.820 -0.036 0.000 2.235 695 A HA 0.133 4.451 4.320 -0.004 0.000 0.208 695 A C 2.080 179.578 177.584 -0.143 0.000 1.172 695 A CA 1.672 53.679 52.037 -0.050 0.000 0.786 695 A CB -0.442 18.530 19.000 -0.048 0.000 0.804 695 A HN 0.606 nan 8.150 nan 0.000 0.479 696 N N 0.620 119.245 118.700 -0.124 0.000 2.094 696 N HA -0.160 4.577 4.740 -0.004 0.000 0.191 696 N C 1.606 176.992 175.510 -0.206 0.000 1.023 696 N CA 1.697 54.664 53.050 -0.139 0.000 0.857 696 N CB -0.677 37.766 38.487 -0.074 0.000 1.013 696 N HN 0.304 nan 8.380 nan 0.000 0.426 697 V N 1.276 121.107 119.914 -0.138 0.000 2.287 697 V HA -0.215 3.902 4.120 -0.004 0.000 0.248 697 V C 2.001 178.020 176.094 -0.125 0.000 1.053 697 V CA 1.703 63.924 62.300 -0.133 0.000 1.027 697 V CB -0.592 31.184 31.823 -0.078 0.000 0.646 697 V HN 0.337 nan 8.190 nan 0.000 0.447 698 E N -0.368 119.807 120.200 -0.042 0.000 2.150 698 E HA -0.160 4.187 4.350 -0.004 0.000 0.193 698 E C 2.216 178.887 176.600 0.119 0.000 0.985 698 E CA 1.229 57.679 56.400 0.083 0.000 0.814 698 E CB -0.224 29.623 29.700 0.245 0.000 0.752 698 E HN 0.554 nan 8.360 nan 0.000 0.466 699 M N 0.451 119.982 119.600 -0.114 0.000 2.086 699 M HA -0.135 4.343 4.480 -0.004 0.000 0.261 699 M C 2.504 178.449 176.300 -0.592 0.000 1.067 699 M CA 1.536 56.676 55.300 -0.267 0.000 1.116 699 M CB -0.203 32.147 32.600 -0.417 0.000 1.348 699 M HN 0.130 nan 8.290 nan 0.000 0.407 700 A N -0.147 122.098 122.820 -0.960 0.000 1.933 700 A HA -0.205 4.112 4.320 -0.004 0.000 0.218 700 A C 2.041 179.382 177.584 -0.406 0.000 1.175 700 A CA 1.849 53.261 52.037 -1.041 0.000 0.628 700 A CB -0.786 17.770 19.000 -0.740 0.000 0.814 700 A HN 0.576 nan 8.150 nan 0.000 0.444 701 E N -0.310 119.748 120.200 -0.235 0.000 2.077 701 E HA -0.219 4.129 4.350 -0.004 0.000 0.193 701 E C 1.772 178.335 176.600 -0.062 0.000 0.989 701 E CA 1.277 57.610 56.400 -0.111 0.000 0.800 701 E CB -0.091 29.570 29.700 -0.064 0.000 0.746 701 E HN 0.563 nan 8.360 nan 0.000 0.452 702 E N 0.077 120.267 120.200 -0.016 0.000 2.077 702 E HA -0.150 4.197 4.350 -0.004 0.000 0.193 702 E C 1.825 178.449 176.600 0.040 0.000 0.989 702 E CA 1.156 57.578 56.400 0.037 0.000 0.800 702 E CB -0.186 29.602 29.700 0.147 0.000 0.746 702 E HN 0.347 nan 8.360 nan 0.000 0.452 703 A N 0.304 123.149 122.820 0.042 0.000 2.081 703 A HA 0.340 4.658 4.320 -0.004 0.000 0.214 703 A C 1.040 178.659 177.584 0.058 0.000 1.158 703 A CA 1.054 53.155 52.037 0.107 0.000 0.724 703 A CB 0.067 19.253 19.000 0.310 0.000 0.826 703 A HN 0.250 nan 8.150 nan 0.000 0.463 704 G N -0.595 108.202 108.800 -0.005 0.000 3.225 704 G HA2 -0.095 3.863 3.960 -0.004 0.000 0.686 704 G HA3 -0.095 3.863 3.960 -0.004 0.000 0.686 704 G C -0.019 174.870 174.900 -0.019 0.000 1.105 704 G CA 0.038 45.128 45.100 -0.017 0.000 0.831 704 G HN 0.224 nan 8.290 nan 0.000 0.578 705 E N 0.403 120.571 120.200 -0.054 0.000 2.209 705 E HA -0.193 4.154 4.350 -0.004 0.000 0.196 705 E C 2.369 178.951 176.600 -0.029 0.000 0.993 705 E CA 1.318 57.686 56.400 -0.054 0.000 0.819 705 E CB 0.117 29.781 29.700 -0.061 0.000 0.745 705 E HN 0.764 nan 8.360 nan 0.000 0.477 706 E N 0.613 120.787 120.200 -0.045 0.000 2.409 706 E HA -0.170 4.178 4.350 -0.004 0.000 0.198 706 E C 0.835 177.351 176.600 -0.139 0.000 1.024 706 E CA 0.774 57.123 56.400 -0.086 0.000 0.861 706 E CB -0.057 29.608 29.700 -0.060 0.000 0.788 706 E HN 0.160 nan 8.360 nan 0.000 0.521 707 N N -0.324 118.342 118.700 -0.056 0.000 2.230 707 N HA 0.164 4.901 4.740 -0.004 0.000 0.202 707 N C -0.968 174.487 175.510 -0.090 0.000 1.119 707 N CA 0.106 53.110 53.050 -0.077 0.000 0.851 707 N CB 0.198 38.701 38.487 0.028 0.000 0.990 707 N HN 0.037 nan 8.380 nan 0.000 0.497 708 F N -0.747 119.007 119.950 -0.327 0.000 2.611 708 F HA 0.433 4.957 4.527 -0.005 0.000 0.324 708 F C -0.422 175.123 175.800 -0.425 0.000 1.061 708 F CA -1.109 56.732 58.000 -0.265 0.000 0.954 708 F CB 1.165 40.094 39.000 -0.118 0.000 1.301 708 F HN -0.241 nan 8.300 nan 0.000 0.482 709 F N 3.830 123.848 119.950 0.113 0.000 2.334 709 F HA 0.374 4.899 4.527 -0.004 0.000 0.343 709 F C -0.332 175.598 175.800 0.217 0.000 1.136 709 F CA -0.551 57.519 58.000 0.117 0.000 1.237 709 F CB 0.025 39.055 39.000 0.049 0.000 1.525 709 F HN -0.029 nan 8.300 nan 0.000 0.528 710 I N 3.624 124.356 120.570 0.270 0.000 2.441 710 I HA 0.233 4.401 4.170 -0.004 0.000 0.287 710 I C -0.019 176.240 176.117 0.236 0.000 1.049 710 I CA -0.426 60.986 61.300 0.187 0.000 1.381 710 I CB 0.036 38.073 38.000 0.062 0.000 1.409 710 I HN 0.298 nan 8.210 nan 0.000 0.523 711 F N 2.943 122.948 119.950 0.091 0.000 2.692 711 F HA 0.899 5.423 4.527 -0.004 0.000 0.320 711 F C 0.192 176.025 175.800 0.055 0.000 1.123 711 F CA -0.599 57.449 58.000 0.080 0.000 0.961 711 F CB 1.084 40.148 39.000 0.107 0.000 1.383 711 F HN 0.788 nan 8.300 nan 0.000 0.483 712 G N 0.867 109.734 108.800 0.111 0.000 2.782 712 G HA2 -0.133 3.825 3.960 -0.004 0.000 0.228 712 G HA3 -0.133 3.825 3.960 -0.004 0.000 0.228 712 G C -0.784 174.084 174.900 -0.052 0.000 1.372 712 G CA -0.549 44.556 45.100 0.009 0.000 0.862 712 G HN 0.958 nan 8.290 nan 0.000 0.547 713 M N 0.224 119.807 119.600 -0.029 0.000 2.249 713 M HA 0.274 4.752 4.480 -0.004 0.000 0.340 713 M C 1.083 177.344 176.300 -0.065 0.000 1.166 713 M CA 0.211 55.498 55.300 -0.022 0.000 1.115 713 M CB 0.421 33.014 32.600 -0.012 0.000 1.606 713 M HN 0.553 nan 8.290 nan 0.000 0.448 714 R N 1.235 121.710 120.500 -0.042 0.000 2.549 714 R HA 0.282 4.620 4.340 -0.004 0.000 0.259 714 R C 1.037 177.314 176.300 -0.039 0.000 1.095 714 R CA -0.555 55.514 56.100 -0.051 0.000 1.148 714 R CB 0.292 30.570 30.300 -0.037 0.000 1.181 714 R HN 0.568 nan 8.270 nan 0.000 0.571 715 V N 1.857 121.747 119.914 -0.040 0.000 2.324 715 V HA -0.289 3.829 4.120 -0.004 0.000 0.250 715 V C 2.149 178.229 176.094 -0.024 0.000 1.060 715 V CA 2.371 64.651 62.300 -0.034 0.000 1.042 715 V CB -0.664 31.138 31.823 -0.035 0.000 0.650 715 V HN 0.843 nan 8.190 nan 0.000 0.450 716 E N 0.187 120.375 120.200 -0.020 0.000 2.118 716 E HA -0.296 4.052 4.350 -0.004 0.000 0.195 716 E C 1.567 178.167 176.600 0.000 0.000 0.992 716 E CA 1.913 58.307 56.400 -0.011 0.000 0.804 716 E CB -0.563 29.131 29.700 -0.009 0.000 0.741 716 E HN 0.636 nan 8.360 nan 0.000 0.458 717 D N 1.123 121.525 120.400 0.003 0.000 2.149 717 D HA -0.072 4.565 4.640 -0.004 0.000 0.201 717 D C 2.298 178.610 176.300 0.019 0.000 0.972 717 D CA 0.990 55.003 54.000 0.021 0.000 0.835 717 D CB 0.005 40.821 40.800 0.027 0.000 0.966 717 D HN 0.132 nan 8.370 nan 0.000 0.476 718 V N 1.957 121.868 119.914 -0.004 0.000 2.295 718 V HA -0.213 3.905 4.120 -0.004 0.000 0.246 718 V C 1.974 178.063 176.094 -0.009 0.000 1.049 718 V CA 1.700 63.989 62.300 -0.019 0.000 1.024 718 V CB -0.399 31.403 31.823 -0.035 0.000 0.648 718 V HN 0.027 nan 8.190 nan 0.000 0.447 719 D N -0.146 120.250 120.400 -0.007 0.000 2.144 719 D HA -0.146 4.491 4.640 -0.004 0.000 0.199 719 D C 2.419 178.728 176.300 0.014 0.000 0.984 719 D CA 1.199 55.197 54.000 -0.003 0.000 0.834 719 D CB -0.250 40.545 40.800 -0.008 0.000 0.955 719 D HN 0.380 nan 8.370 nan 0.000 0.465 720 R N 0.037 120.551 120.500 0.024 0.000 2.092 720 R HA 0.007 4.345 4.340 -0.004 0.000 0.231 720 R C 2.519 178.854 176.300 0.058 0.000 1.119 720 R CA 0.396 56.518 56.100 0.037 0.000 0.970 720 R CB -0.289 30.035 30.300 0.040 0.000 0.864 720 R HN 0.207 nan 8.270 nan 0.000 0.440 721 L N 0.753 122.021 121.223 0.074 0.000 2.046 721 L HA -0.216 4.121 4.340 -0.004 0.000 0.208 721 L C 1.639 178.571 176.870 0.105 0.000 1.077 721 L CA 1.343 56.255 54.840 0.120 0.000 0.747 721 L CB -0.331 41.813 42.059 0.142 0.000 0.896 721 L HN 0.208 nan 8.230 nan 0.000 0.432 722 D N -0.517 119.917 120.400 0.058 0.000 2.144 722 D HA -0.213 4.425 4.640 -0.004 0.000 0.199 722 D C 2.222 178.547 176.300 0.042 0.000 0.984 722 D CA 1.109 55.134 54.000 0.042 0.000 0.834 722 D CB -0.072 40.732 40.800 0.007 0.000 0.955 722 D HN 0.406 nan 8.370 nan 0.000 0.465 723 Q N -0.105 119.717 119.800 0.036 0.000 2.084 723 Q HA -0.135 4.203 4.340 -0.004 0.000 0.202 723 Q C 2.147 178.170 176.000 0.038 0.000 0.978 723 Q CA 1.282 57.103 55.803 0.031 0.000 0.844 723 Q CB 0.010 28.763 28.738 0.025 0.000 0.898 723 Q HN 0.325 nan 8.270 nan 0.000 0.426 724 R N -0.561 119.970 120.500 0.052 0.000 2.290 724 R HA 0.211 4.549 4.340 -0.004 0.000 0.197 724 R C -0.054 176.282 176.300 0.060 0.000 0.913 724 R CA 0.759 56.890 56.100 0.051 0.000 1.040 724 R CB 0.575 30.907 30.300 0.053 0.000 0.992 724 R HN 0.085 nan 8.270 nan 0.000 0.500 725 G N 1.344 110.193 108.800 0.082 0.000 3.338 725 G HA2 -0.265 3.692 3.960 -0.004 0.000 0.686 725 G HA3 -0.265 3.692 3.960 -0.004 0.000 0.686 725 G C -1.375 173.611 174.900 0.143 0.000 1.053 725 G CA -0.356 44.800 45.100 0.094 0.000 0.852 725 G HN 0.337 nan 8.290 nan 0.000 0.545 726 Y N 3.157 123.485 120.300 0.047 0.000 2.480 726 Y HA 0.559 5.107 4.550 -0.004 0.000 0.341 726 Y C 0.327 176.275 175.900 0.080 0.000 1.031 726 Y CA -1.015 57.130 58.100 0.075 0.000 1.295 726 Y CB 1.070 39.553 38.460 0.038 0.000 1.162 726 Y HN 0.637 nan 8.280 nan 0.000 0.523 727 N N 4.892 123.354 118.700 -0.396 0.000 2.626 727 N HA 0.343 5.081 4.740 -0.004 0.000 0.242 727 N C 0.289 175.533 175.510 -0.442 0.000 1.005 727 N CA 0.228 53.065 53.050 -0.356 0.000 0.905 727 N CB 1.099 39.508 38.487 -0.130 0.000 1.128 727 N HN 0.751 nan 8.380 nan 0.000 0.512 728 A N 2.685 125.127 122.820 -0.631 0.000 2.019 728 A HA -0.192 4.125 4.320 -0.004 0.000 0.219 728 A C 1.872 179.580 177.584 0.206 0.000 1.164 728 A CA 1.416 53.336 52.037 -0.195 0.000 0.644 728 A CB -0.413 18.401 19.000 -0.311 0.000 0.805 728 A HN 0.704 nan 8.150 nan 0.000 0.449 729 Q N 0.273 120.082 119.800 0.016 0.000 2.124 729 Q HA -0.208 4.130 4.340 -0.004 0.000 0.202 729 Q C 1.899 177.954 176.000 0.093 0.000 0.977 729 Q CA 2.124 57.954 55.803 0.044 0.000 0.850 729 Q CB -0.342 28.375 28.738 -0.034 0.000 0.901 729 Q HN 0.788 nan 8.270 nan 0.000 0.429 730 E N -1.386 118.816 120.200 0.004 0.000 2.110 730 E HA -0.231 4.117 4.350 -0.004 0.000 0.193 730 E C 1.354 177.862 176.600 -0.152 0.000 0.988 730 E CA 1.243 57.573 56.400 -0.116 0.000 0.804 730 E CB -0.170 29.372 29.700 -0.264 0.000 0.745 730 E HN 0.570 nan 8.360 nan 0.000 0.458 731 Y N -1.001 119.369 120.300 0.116 0.000 2.220 731 Y HA -0.179 4.369 4.550 -0.004 0.000 0.291 731 Y C 2.218 178.128 175.900 0.017 0.000 1.129 731 Y CA 1.498 59.662 58.100 0.107 0.000 1.161 731 Y CB -0.716 37.876 38.460 0.219 0.000 0.997 731 Y HN 0.202 nan 8.280 nan 0.000 0.522 732 Y N 1.423 121.746 120.300 0.039 0.000 2.165 732 Y HA -0.272 4.275 4.550 -0.004 0.000 0.286 732 Y C 1.836 177.698 175.900 -0.062 0.000 1.155 732 Y CA 1.905 59.947 58.100 -0.098 0.000 1.164 732 Y CB -0.439 38.006 38.460 -0.025 0.000 0.978 732 Y HN 0.091 nan 8.280 nan 0.000 0.513 733 D N -0.233 120.280 120.400 0.187 0.000 2.178 733 D HA -0.110 4.527 4.640 -0.004 0.000 0.202 733 D C 1.981 178.266 176.300 -0.024 0.000 0.974 733 D CA 1.274 55.321 54.000 0.078 0.000 0.841 733 D CB -0.201 40.650 40.800 0.085 0.000 0.953 733 D HN 0.434 nan 8.370 nan 0.000 0.478 734 R N -0.367 120.114 120.500 -0.033 0.000 2.280 734 R HA 0.272 4.610 4.340 -0.004 0.000 0.195 734 R C 0.321 176.601 176.300 -0.034 0.000 0.935 734 R CA 0.153 56.231 56.100 -0.037 0.000 1.033 734 R CB 0.775 31.047 30.300 -0.047 0.000 0.964 734 R HN 0.124 nan 8.270 nan 0.000 0.489 735 I N 1.336 121.866 120.570 -0.067 0.000 2.437 735 I HA 0.224 4.392 4.170 -0.004 0.000 0.279 735 I C -2.006 174.018 176.117 -0.156 0.000 1.028 735 I CA -2.392 58.871 61.300 -0.062 0.000 1.142 735 I CB 2.014 40.015 38.000 0.000 0.000 1.266 735 I HN -0.260 nan 8.210 nan 0.000 0.461 736 P HA -0.176 nan 4.420 nan 0.000 0.215 736 P C 1.204 178.418 177.300 -0.143 0.000 1.157 736 P CA 1.449 64.464 63.100 -0.142 0.000 0.874 736 P CB 0.307 31.955 31.700 -0.086 0.000 0.790 737 E N -0.932 119.225 120.200 -0.072 0.000 2.077 737 E HA -0.184 4.164 4.350 -0.004 0.000 0.193 737 E C 1.912 178.433 176.600 -0.132 0.000 0.989 737 E CA 0.824 57.202 56.400 -0.038 0.000 0.800 737 E CB -0.690 29.063 29.700 0.088 0.000 0.746 737 E HN 0.108 nan 8.360 nan 0.000 0.452 738 L N 1.371 122.423 121.223 -0.285 0.000 2.017 738 L HA -0.153 4.185 4.340 -0.004 0.000 0.208 738 L C 2.364 178.967 176.870 -0.445 0.000 1.073 738 L CA 1.724 56.212 54.840 -0.587 0.000 0.745 738 L CB -0.417 41.143 42.059 -0.831 0.000 0.894 738 L HN -0.095 nan 8.230 nan 0.000 0.432 739 R N -0.814 119.396 120.500 -0.484 0.000 2.096 739 R HA -0.251 4.086 4.340 -0.004 0.000 0.240 739 R C 2.466 178.592 176.300 -0.290 0.000 1.139 739 R CA 2.087 57.817 56.100 -0.616 0.000 0.952 739 R CB -0.414 29.450 30.300 -0.728 0.000 0.854 739 R HN 0.617 nan 8.270 nan 0.000 0.436 740 Q N 0.234 119.910 119.800 -0.206 0.000 2.096 740 Q HA -0.203 4.135 4.340 -0.004 0.000 0.204 740 Q C 2.023 177.987 176.000 -0.060 0.000 0.982 740 Q CA 2.068 57.799 55.803 -0.120 0.000 0.850 740 Q CB -0.092 28.582 28.738 -0.107 0.000 0.901 740 Q HN 0.486 nan 8.270 nan 0.000 0.422 741 I N 0.433 120.971 120.570 -0.054 0.000 2.252 741 I HA -0.263 3.904 4.170 -0.004 0.000 0.245 741 I C 2.046 178.216 176.117 0.088 0.000 1.102 741 I CA 0.490 61.812 61.300 0.036 0.000 1.385 741 I CB -0.259 37.738 38.000 -0.005 0.000 1.064 741 I HN 0.257 nan 8.210 nan 0.000 0.414 742 I N 0.657 121.263 120.570 0.060 0.000 2.286 742 I HA -0.200 3.968 4.170 -0.004 0.000 0.248 742 I C 2.532 178.762 176.117 0.189 0.000 1.115 742 I CA 1.451 62.852 61.300 0.168 0.000 1.392 742 I CB -1.313 36.857 38.000 0.283 0.000 1.065 742 I HN 0.275 nan 8.210 nan 0.000 0.418 743 E N 0.703 120.989 120.200 0.143 0.000 2.106 743 E HA -0.186 4.162 4.350 -0.004 0.000 0.192 743 E C 2.162 178.835 176.600 0.121 0.000 0.984 743 E CA 0.876 57.351 56.400 0.125 0.000 0.806 743 E CB -0.253 29.489 29.700 0.071 0.000 0.750 743 E HN 0.586 nan 8.360 nan 0.000 0.458 744 Q N 0.373 120.240 119.800 0.111 0.000 2.050 744 Q HA -0.089 4.249 4.340 -0.004 0.000 0.202 744 Q C 2.500 178.708 176.000 0.346 0.000 0.980 744 Q CA 1.086 56.987 55.803 0.164 0.000 0.840 744 Q CB -0.193 28.622 28.738 0.128 0.000 0.898 744 Q HN 0.228 nan 8.270 nan 0.000 0.424 745 L N 0.086 121.536 121.223 0.377 0.000 1.989 745 L HA -0.233 4.105 4.340 -0.004 0.000 0.211 745 L C 2.490 179.557 176.870 0.329 0.000 1.071 745 L CA 1.237 56.310 54.840 0.389 0.000 0.749 745 L CB -0.474 41.734 42.059 0.248 0.000 0.890 745 L HN 0.157 nan 8.230 nan 0.000 0.431 746 S N -0.312 115.535 115.700 0.245 0.000 2.368 746 S HA -0.155 4.313 4.470 -0.004 0.000 0.224 746 S C 2.090 176.795 174.600 0.174 0.000 1.029 746 S CA 1.469 59.789 58.200 0.199 0.000 0.988 746 S CB -0.320 62.979 63.200 0.164 0.000 0.838 746 S HN 0.611 nan 8.310 nan 0.000 0.462 747 S N 0.649 116.450 115.700 0.168 0.000 2.515 747 S HA 0.267 4.735 4.470 -0.004 0.000 0.231 747 S C 1.488 176.178 174.600 0.150 0.000 0.987 747 S CA 0.735 59.018 58.200 0.138 0.000 0.936 747 S CB -0.291 62.978 63.200 0.115 0.000 0.766 747 S HN 0.879 nan 8.310 nan 0.000 0.528 748 G N 0.492 109.413 108.800 0.200 0.000 2.134 748 G HA2 -0.265 3.692 3.960 -0.004 0.000 0.209 748 G HA3 -0.265 3.692 3.960 -0.004 0.000 0.209 748 G C 0.151 175.150 174.900 0.164 0.000 0.993 748 G CA 0.107 45.312 45.100 0.175 0.000 0.669 748 G HN 0.511 nan 8.290 nan 0.000 0.519 749 F N 0.511 120.469 119.950 0.013 0.000 2.234 749 F HA 0.296 4.820 4.527 -0.004 0.000 0.299 749 F C 1.641 177.254 175.800 -0.312 0.000 1.087 749 F CA 1.257 59.143 58.000 -0.189 0.000 1.340 749 F CB -0.035 38.772 39.000 -0.321 0.000 1.031 749 F HN 0.134 nan 8.300 nan 0.000 0.500 750 F N 0.168 120.159 119.950 0.068 0.000 2.668 750 F HA 0.230 4.755 4.527 -0.004 0.000 0.297 750 F C 0.572 176.451 175.800 0.133 0.000 1.124 750 F CA 0.261 58.254 58.000 -0.012 0.000 1.353 750 F CB -0.260 38.759 39.000 0.033 0.000 0.992 750 F HN 0.042 nan 8.300 nan 0.000 0.524 751 S N -1.748 114.054 115.700 0.170 0.000 2.730 751 S HA 0.186 4.654 4.470 -0.004 0.000 0.150 751 S C -2.217 172.393 174.600 0.016 0.000 1.139 751 S CA -0.787 57.462 58.200 0.081 0.000 1.155 751 S CB 0.302 63.502 63.200 0.001 0.000 1.682 751 S HN -0.105 nan 8.310 nan 0.000 0.452 752 P HA -0.170 nan 4.420 nan 0.000 0.216 752 P C 0.881 178.176 177.300 -0.008 0.000 1.150 752 P CA 1.452 64.539 63.100 -0.022 0.000 0.843 752 P CB -0.032 31.635 31.700 -0.055 0.000 0.787 753 K N -0.831 119.562 120.400 -0.011 0.000 2.459 753 K HA 0.010 4.328 4.320 -0.004 0.000 0.193 753 K C 1.326 177.924 176.600 -0.003 0.000 1.030 753 K CA 0.348 56.632 56.287 -0.005 0.000 1.026 753 K CB 0.144 32.642 32.500 -0.003 0.000 0.809 753 K HN 0.214 nan 8.250 nan 0.000 0.504 754 Q N 0.165 119.959 119.800 -0.010 0.000 3.825 754 Q HA 0.129 4.466 4.340 -0.004 0.000 0.218 754 Q C -2.468 173.516 176.000 -0.026 0.000 0.882 754 Q CA -1.365 54.427 55.803 -0.018 0.000 0.766 754 Q CB 1.105 29.827 28.738 -0.026 0.000 1.497 754 Q HN -0.134 nan 8.270 nan 0.000 0.428 755 P HA -0.192 nan 4.420 nan 0.000 0.218 755 P C 0.500 177.823 177.300 0.039 0.000 1.146 755 P CA 1.532 64.652 63.100 0.033 0.000 0.820 755 P CB 0.190 31.915 31.700 0.042 0.000 0.778 756 D N -1.588 118.821 120.400 0.015 0.000 2.342 756 D HA -0.012 4.625 4.640 -0.004 0.000 0.221 756 D C 1.620 177.908 176.300 -0.020 0.000 1.101 756 D CA -0.212 53.805 54.000 0.028 0.000 0.837 756 D CB -0.807 40.013 40.800 0.033 0.000 0.938 756 D HN 0.034 nan 8.370 nan 0.000 0.508 757 L N -0.029 121.112 121.223 -0.136 0.000 2.043 757 L HA -0.115 4.223 4.340 -0.004 0.000 0.212 757 L C 1.049 177.689 176.870 -0.384 0.000 1.075 757 L CA 1.643 56.283 54.840 -0.333 0.000 0.752 757 L CB -0.592 41.103 42.059 -0.608 0.000 0.891 757 L HN -0.067 nan 8.230 nan 0.000 0.432 758 F N -0.203 119.799 119.950 0.086 0.000 2.660 758 F HA 0.166 4.691 4.527 -0.004 0.000 0.297 758 F C 1.881 177.736 175.800 0.093 0.000 1.132 758 F CA 0.039 58.082 58.000 0.072 0.000 1.372 758 F CB -0.887 38.145 39.000 0.053 0.000 1.003 758 F HN 0.170 nan 8.300 nan 0.000 0.524 759 K N -0.170 120.345 120.400 0.191 0.000 2.103 759 K HA -0.203 4.115 4.320 -0.004 0.000 0.207 759 K C 0.963 177.670 176.600 0.178 0.000 1.048 759 K CA 2.149 58.536 56.287 0.166 0.000 0.930 759 K CB -0.272 32.299 32.500 0.119 0.000 0.716 759 K HN 0.092 nan 8.250 nan 0.000 0.444 760 D N 1.150 121.665 120.400 0.191 0.000 2.149 760 D HA -0.058 4.580 4.640 -0.004 0.000 0.201 760 D C 2.119 178.535 176.300 0.194 0.000 0.972 760 D CA 1.131 55.252 54.000 0.202 0.000 0.835 760 D CB -0.119 40.831 40.800 0.251 0.000 0.966 760 D HN 0.332 nan 8.370 nan 0.000 0.476 761 I N 0.661 121.350 120.570 0.197 0.000 2.179 761 I HA -0.223 3.944 4.170 -0.004 0.000 0.242 761 I C 2.483 178.680 176.117 0.132 0.000 1.088 761 I CA 0.604 61.991 61.300 0.145 0.000 1.357 761 I CB -0.273 37.795 38.000 0.112 0.000 1.051 761 I HN -0.133 nan 8.210 nan 0.000 0.409 762 V N 1.241 121.251 119.914 0.160 0.000 2.287 762 V HA -0.321 3.796 4.120 -0.004 0.000 0.248 762 V C 2.287 178.447 176.094 0.109 0.000 1.053 762 V CA 2.418 64.804 62.300 0.143 0.000 1.027 762 V CB -0.970 30.953 31.823 0.166 0.000 0.646 762 V HN 0.483 nan 8.190 nan 0.000 0.447 763 N N -0.132 118.663 118.700 0.159 0.000 2.069 763 N HA -0.215 4.523 4.740 -0.004 0.000 0.191 763 N C 1.836 177.471 175.510 0.207 0.000 1.031 763 N CA 1.963 55.147 53.050 0.223 0.000 0.852 763 N CB -0.318 38.326 38.487 0.262 0.000 1.018 763 N HN 0.361 nan 8.380 nan 0.000 0.423 764 M N 0.256 119.974 119.600 0.196 0.000 2.086 764 M HA -0.107 4.371 4.480 -0.004 0.000 0.261 764 M C 1.812 178.126 176.300 0.022 0.000 1.067 764 M CA 1.331 56.745 55.300 0.191 0.000 1.116 764 M CB -0.765 31.945 32.600 0.183 0.000 1.348 764 M HN 0.254 nan 8.290 nan 0.000 0.407 765 L N 0.087 121.271 121.223 -0.064 0.000 2.012 765 L HA -0.290 4.048 4.340 -0.004 0.000 0.210 765 L C 2.669 179.243 176.870 -0.493 0.000 1.073 765 L CA 1.277 55.931 54.840 -0.310 0.000 0.748 765 L CB -0.723 41.186 42.059 -0.250 0.000 0.891 765 L HN 0.331 nan 8.230 nan 0.000 0.431 766 M N -1.473 117.915 119.600 -0.354 0.000 2.254 766 M HA -0.114 4.363 4.480 -0.004 0.000 0.265 766 M C 1.945 177.795 176.300 -0.751 0.000 1.066 766 M CA 1.727 56.704 55.300 -0.538 0.000 1.123 766 M CB -0.853 31.325 32.600 -0.703 0.000 1.388 766 M HN 0.369 nan 8.290 nan 0.000 0.425 767 H N -2.674 116.249 119.070 -0.246 0.000 2.926 767 H HA 0.209 4.762 4.556 -0.004 0.000 0.249 767 H C 0.235 175.197 175.328 -0.611 0.000 0.963 767 H CA 0.500 56.265 56.048 -0.471 0.000 1.158 767 H CB 0.278 29.631 29.762 -0.682 0.000 1.445 767 H HN 0.496 nan 8.280 nan 0.000 0.452 768 H N 0.499 119.635 119.070 0.111 0.000 2.587 768 H HA 0.171 4.724 4.556 -0.004 0.000 0.245 768 H C -0.681 174.685 175.328 0.062 0.000 1.238 768 H CA -0.377 55.724 56.048 0.090 0.000 0.963 768 H CB 0.629 30.447 29.762 0.093 0.000 1.904 768 H HN 0.021 nan 8.280 nan 0.000 0.584 769 D N 0.959 121.420 120.400 0.101 0.000 2.393 769 D HA 0.086 4.724 4.640 -0.004 0.000 0.232 769 D C 1.142 177.419 176.300 -0.039 0.000 1.192 769 D CA -0.156 53.881 54.000 0.062 0.000 0.882 769 D CB 0.529 41.333 40.800 0.005 0.000 1.038 769 D HN 0.268 nan 8.370 nan 0.000 0.499 770 R N 2.251 122.642 120.500 -0.182 0.000 2.148 770 R HA -0.063 4.275 4.340 -0.004 0.000 0.227 770 R C 0.755 176.559 176.300 -0.825 0.000 1.103 770 R CA 0.977 56.745 56.100 -0.553 0.000 0.983 770 R CB 0.083 29.820 30.300 -0.938 0.000 0.874 770 R HN 0.425 nan 8.270 nan 0.000 0.451 771 F N 0.354 120.278 119.950 -0.044 0.000 2.664 771 F HA 0.232 4.757 4.527 -0.004 0.000 0.303 771 F C 0.153 175.838 175.800 -0.191 0.000 1.092 771 F CA -0.368 57.590 58.000 -0.070 0.000 1.305 771 F CB 0.165 39.188 39.000 0.039 0.000 1.054 771 F HN -0.251 nan 8.300 nan 0.000 0.565 772 K N -0.242 119.971 120.400 -0.312 0.000 3.451 772 K HA -0.181 4.137 4.320 -0.004 0.000 0.273 772 K C 0.965 177.434 176.600 -0.218 0.000 0.944 772 K CA 0.154 56.071 56.287 -0.617 0.000 0.734 772 K CB -1.772 30.229 32.500 -0.831 0.000 1.437 772 K HN 0.197 nan 8.250 nan 0.000 0.454 773 V N 0.001 119.881 119.914 -0.058 0.000 2.287 773 V HA -0.289 3.829 4.120 -0.004 0.000 0.248 773 V C 2.021 178.258 176.094 0.239 0.000 1.053 773 V CA 2.125 64.476 62.300 0.084 0.000 1.027 773 V CB -0.481 31.404 31.823 0.103 0.000 0.646 773 V HN 0.432 nan 8.190 nan 0.000 0.447 774 F N 0.816 120.778 119.950 0.021 0.000 2.216 774 F HA -0.092 4.433 4.527 -0.004 0.000 0.300 774 F C 2.468 178.093 175.800 -0.293 0.000 1.085 774 F CA 0.841 58.820 58.000 -0.035 0.000 1.326 774 F CB -1.541 37.462 39.000 0.005 0.000 1.027 774 F HN 0.168 nan 8.300 nan 0.000 0.497 775 A N -0.723 121.925 122.820 -0.287 0.000 2.070 775 A HA -0.153 4.165 4.320 -0.004 0.000 0.220 775 A C 1.599 179.167 177.584 -0.028 0.000 1.159 775 A CA 1.852 53.600 52.037 -0.482 0.000 0.656 775 A CB -0.491 18.350 19.000 -0.265 0.000 0.800 775 A HN 0.210 nan 8.150 nan 0.000 0.453 776 D N -2.931 117.523 120.400 0.091 0.000 2.398 776 D HA 0.110 4.747 4.640 -0.004 0.000 0.210 776 D C 1.069 177.528 176.300 0.264 0.000 1.094 776 D CA -0.121 54.004 54.000 0.208 0.000 0.839 776 D CB -0.067 40.866 40.800 0.222 0.000 0.963 776 D HN 0.531 nan 8.370 nan 0.000 0.506 777 Y N 1.903 122.291 120.300 0.146 0.000 2.097 777 Y HA -0.199 4.349 4.550 -0.003 0.000 0.282 777 Y C 2.161 178.143 175.900 0.137 0.000 1.152 777 Y CA 1.960 60.154 58.100 0.157 0.000 1.136 777 Y CB 0.108 38.636 38.460 0.112 0.000 0.975 777 Y HN -0.092 nan 8.280 nan 0.000 0.498 778 E N -0.315 119.933 120.200 0.079 0.000 2.038 778 E HA -0.232 4.115 4.350 -0.004 0.000 0.195 778 E C 2.119 178.679 176.600 -0.066 0.000 1.000 778 E CA 1.511 57.892 56.400 -0.032 0.000 0.803 778 E CB -0.043 29.747 29.700 0.149 0.000 0.750 778 E HN 0.472 nan 8.360 nan 0.000 0.448 779 E N -0.171 120.066 120.200 0.062 0.000 2.153 779 E HA -0.191 4.156 4.350 -0.004 0.000 0.194 779 E C 1.818 178.412 176.600 -0.009 0.000 0.988 779 E CA 0.732 57.192 56.400 0.100 0.000 0.811 779 E CB -0.379 29.467 29.700 0.244 0.000 0.746 779 E HN 0.391 nan 8.360 nan 0.000 0.466 780 Y N 1.513 121.627 120.300 -0.310 0.000 2.163 780 Y HA -0.187 4.361 4.550 -0.004 0.000 0.288 780 Y C 2.235 177.738 175.900 -0.662 0.000 1.136 780 Y CA 0.911 58.503 58.100 -0.847 0.000 1.147 780 Y CB -0.458 37.548 38.460 -0.757 0.000 0.987 780 Y HN -0.199 nan 8.280 nan 0.000 0.509 781 V N 0.525 120.082 119.914 -0.595 0.000 2.343 781 V HA -0.320 3.797 4.120 -0.004 0.000 0.247 781 V C 2.303 178.156 176.094 -0.402 0.000 1.051 781 V CA 2.374 64.322 62.300 -0.586 0.000 1.036 781 V CB -0.654 30.866 31.823 -0.505 0.000 0.654 781 V HN 0.262 nan 8.190 nan 0.000 0.451 782 K N -0.841 119.401 120.400 -0.264 0.000 2.057 782 K HA -0.199 4.118 4.320 -0.004 0.000 0.207 782 K C 2.295 178.811 176.600 -0.141 0.000 1.049 782 K CA 1.727 57.926 56.287 -0.146 0.000 0.931 782 K CB -0.631 31.832 32.500 -0.063 0.000 0.714 782 K HN 0.533 nan 8.250 nan 0.000 0.440 783 C N 1.196 120.388 119.300 -0.180 0.000 2.432 783 C HA -0.116 4.342 4.460 -0.004 0.000 0.277 783 C C 2.592 177.421 174.990 -0.268 0.000 1.249 783 C CA 0.863 59.810 59.018 -0.119 0.000 1.725 783 C CB -0.651 27.032 27.740 -0.095 0.000 2.028 783 C HN 0.458 nan 8.230 nan 0.000 0.477 784 Q N 0.459 119.945 119.800 -0.523 0.000 2.181 784 Q HA -0.190 4.148 4.340 -0.004 0.000 0.205 784 Q C 1.937 177.747 176.000 -0.316 0.000 0.980 784 Q CA 1.773 57.230 55.803 -0.576 0.000 0.862 784 Q CB -0.425 27.680 28.738 -1.055 0.000 0.905 784 Q HN 0.769 nan 8.270 nan 0.000 0.429 785 E N 0.168 120.237 120.200 -0.218 0.000 2.072 785 E HA -0.131 4.216 4.350 -0.004 0.000 0.191 785 E C 2.090 178.652 176.600 -0.062 0.000 0.985 785 E CA 0.589 56.922 56.400 -0.111 0.000 0.801 785 E CB -0.076 29.579 29.700 -0.075 0.000 0.750 785 E HN 0.271 nan 8.360 nan 0.000 0.452 786 R N 0.592 121.069 120.500 -0.038 0.000 2.120 786 R HA -0.087 4.251 4.340 -0.004 0.000 0.234 786 R C 2.430 178.733 176.300 0.005 0.000 1.123 786 R CA 0.899 57.044 56.100 0.077 0.000 0.975 786 R CB -0.401 30.029 30.300 0.217 0.000 0.866 786 R HN 0.062 nan 8.270 nan 0.000 0.446 787 V N 0.727 120.448 119.914 -0.322 0.000 2.287 787 V HA -0.271 3.847 4.120 -0.004 0.000 0.248 787 V C 2.222 178.281 176.094 -0.058 0.000 1.053 787 V CA 2.050 64.053 62.300 -0.495 0.000 1.027 787 V CB -0.385 31.082 31.823 -0.593 0.000 0.646 787 V HN 0.300 nan 8.190 nan 0.000 0.447 788 S N -0.012 115.638 115.700 -0.083 0.000 2.368 788 S HA -0.191 4.276 4.470 -0.004 0.000 0.225 788 S C 2.211 176.861 174.600 0.084 0.000 1.030 788 S CA 1.429 59.614 58.200 -0.025 0.000 0.999 788 S CB -0.544 62.615 63.200 -0.067 0.000 0.844 788 S HN 0.663 nan 8.310 nan 0.000 0.459 789 A N 1.230 124.103 122.820 0.090 0.000 1.908 789 A HA -0.090 4.228 4.320 -0.004 0.000 0.218 789 A C 2.143 179.834 177.584 0.178 0.000 1.181 789 A CA 1.562 53.673 52.037 0.123 0.000 0.627 789 A CB -0.706 18.358 19.000 0.108 0.000 0.818 789 A HN 0.435 nan 8.150 nan 0.000 0.445 790 L N -2.155 119.227 121.223 0.266 0.000 2.109 790 L HA -0.063 4.275 4.340 -0.004 0.000 0.207 790 L C 2.251 179.366 176.870 0.409 0.000 1.086 790 L CA 1.893 56.956 54.840 0.372 0.000 0.760 790 L CB -0.666 41.705 42.059 0.520 0.000 0.910 790 L HN 0.479 nan 8.230 nan 0.000 0.437 791 Y N 0.451 120.857 120.300 0.177 0.000 2.333 791 Y HA -0.222 4.326 4.550 -0.002 0.000 0.290 791 Y C 2.214 178.035 175.900 -0.132 0.000 1.144 791 Y CA 1.625 59.582 58.100 -0.238 0.000 1.228 791 Y CB -0.106 37.989 38.460 -0.607 0.000 0.985 791 Y HN 0.198 nan 8.280 nan 0.000 0.542 792 K N -0.225 120.219 120.400 0.073 0.000 2.442 792 K HA -0.129 4.188 4.320 -0.004 0.000 0.198 792 K C 0.355 176.943 176.600 -0.021 0.000 1.042 792 K CA 0.733 57.046 56.287 0.045 0.000 0.958 792 K CB -0.108 32.456 32.500 0.106 0.000 0.766 792 K HN 0.064 nan 8.250 nan 0.000 0.474 793 N N 0.665 119.364 118.700 -0.002 0.000 2.800 793 N HA 0.132 4.870 4.740 -0.004 0.000 0.240 793 N C -2.414 173.090 175.510 -0.009 0.000 1.096 793 N CA -2.305 50.747 53.050 0.003 0.000 0.877 793 N CB 1.244 39.764 38.487 0.054 0.000 1.138 793 N HN -0.208 nan 8.380 nan 0.000 0.509 794 P HA -0.171 nan 4.420 nan 0.000 0.216 794 P C 1.406 178.711 177.300 0.009 0.000 1.153 794 P CA 1.047 64.067 63.100 -0.134 0.000 0.858 794 P CB 0.392 31.973 31.700 -0.199 0.000 0.789 795 R N 0.317 120.822 120.500 0.010 0.000 2.083 795 R HA -0.177 4.160 4.340 -0.004 0.000 0.237 795 R C 1.931 178.271 176.300 0.068 0.000 1.137 795 R CA 1.603 57.722 56.100 0.032 0.000 0.951 795 R CB -0.473 29.839 30.300 0.020 0.000 0.851 795 R HN 0.091 nan 8.270 nan 0.000 0.434 796 E N -0.146 120.105 120.200 0.084 0.000 2.208 796 E HA -0.206 4.142 4.350 -0.004 0.000 0.193 796 E C 1.619 178.305 176.600 0.142 0.000 0.988 796 E CA 0.611 57.068 56.400 0.095 0.000 0.828 796 E CB -0.391 29.363 29.700 0.089 0.000 0.763 796 E HN 0.539 nan 8.360 nan 0.000 0.478 797 W N 2.228 123.520 121.300 -0.013 0.000 2.354 797 W HA -0.174 4.483 4.660 -0.005 0.000 0.315 797 W C 1.624 178.143 176.519 -0.000 0.000 1.206 797 W CA 2.032 59.381 57.345 0.007 0.000 1.290 797 W CB -0.414 29.013 29.460 -0.056 0.000 1.152 797 W HN 0.018 nan 8.180 nan 0.000 0.489 798 T N 1.288 115.984 114.554 0.237 0.000 2.759 798 T HA -0.208 4.140 4.350 -0.004 0.000 0.269 798 T C 1.853 176.571 174.700 0.029 0.000 1.042 798 T CA 1.865 64.031 62.100 0.110 0.000 1.140 798 T CB -0.366 68.549 68.868 0.079 0.000 0.864 798 T HN 0.176 nan 8.240 nan 0.000 0.455 799 R N 0.372 120.895 120.500 0.038 0.000 2.096 799 R HA 0.070 4.408 4.340 -0.004 0.000 0.235 799 R C 2.512 178.807 176.300 -0.008 0.000 1.127 799 R CA 1.298 57.418 56.100 0.034 0.000 0.968 799 R CB -0.328 29.996 30.300 0.040 0.000 0.861 799 R HN 0.387 nan 8.270 nan 0.000 0.440 800 M N 0.429 119.988 119.600 -0.069 0.000 2.254 800 M HA -0.109 4.368 4.480 -0.004 0.000 0.265 800 M C 1.789 177.989 176.300 -0.166 0.000 1.066 800 M CA 1.259 56.479 55.300 -0.132 0.000 1.123 800 M CB 0.257 32.736 32.600 -0.200 0.000 1.388 800 M HN -0.025 nan 8.290 nan 0.000 0.425 801 V N 1.042 120.835 119.914 -0.200 0.000 2.295 801 V HA -0.308 3.809 4.120 -0.004 0.000 0.246 801 V C 2.239 178.313 176.094 -0.033 0.000 1.049 801 V CA 2.054 64.264 62.300 -0.151 0.000 1.024 801 V CB -0.617 31.139 31.823 -0.111 0.000 0.648 801 V HN 0.514 nan 8.190 nan 0.000 0.447 802 I N -0.341 120.243 120.570 0.023 0.000 2.264 802 I HA -0.280 3.888 4.170 -0.004 0.000 0.248 802 I C 2.630 178.801 176.117 0.089 0.000 1.111 802 I CA 1.652 63.022 61.300 0.117 0.000 1.382 802 I CB -0.395 37.736 38.000 0.218 0.000 1.060 802 I HN 0.237 nan 8.210 nan 0.000 0.418 803 R N 0.314 120.840 120.500 0.045 0.000 2.189 803 R HA -0.071 4.266 4.340 -0.004 0.000 0.223 803 R C 1.927 178.263 176.300 0.060 0.000 1.092 803 R CA 0.930 57.056 56.100 0.044 0.000 0.989 803 R CB -0.402 29.911 30.300 0.022 0.000 0.876 803 R HN 0.524 nan 8.270 nan 0.000 0.457 804 N N 0.618 119.342 118.700 0.040 0.000 2.220 804 N HA -0.019 4.718 4.740 -0.004 0.000 0.182 804 N C 1.882 177.451 175.510 0.099 0.000 1.023 804 N CA 0.900 53.996 53.050 0.075 0.000 0.856 804 N CB 0.081 38.550 38.487 -0.030 0.000 0.997 804 N HN 0.099 nan 8.380 nan 0.000 0.429 805 I N 1.747 122.362 120.570 0.074 0.000 2.163 805 I HA -0.243 3.925 4.170 -0.004 0.000 0.243 805 I C 2.468 178.638 176.117 0.089 0.000 1.085 805 I CA 0.987 62.338 61.300 0.085 0.000 1.347 805 I CB -0.323 37.726 38.000 0.083 0.000 1.044 805 I HN 0.079 nan 8.210 nan 0.000 0.408 806 A N 0.264 123.135 122.820 0.085 0.000 2.070 806 A HA -0.183 4.134 4.320 -0.004 0.000 0.220 806 A C 2.100 179.723 177.584 0.066 0.000 1.159 806 A CA 2.168 54.243 52.037 0.064 0.000 0.656 806 A CB -0.920 18.115 19.000 0.058 0.000 0.800 806 A HN 0.556 nan 8.150 nan 0.000 0.453 807 T N -3.124 111.488 114.554 0.096 0.000 3.129 807 T HA 0.175 4.523 4.350 -0.004 0.000 0.267 807 T C 1.241 176.044 174.700 0.172 0.000 1.018 807 T CA 0.667 62.831 62.100 0.106 0.000 0.903 807 T CB -0.144 68.790 68.868 0.110 0.000 1.067 807 T HN 0.517 nan 8.240 nan 0.000 0.549 808 S N 0.437 116.250 115.700 0.188 0.000 2.603 808 S HA 0.209 4.677 4.470 -0.004 0.000 0.220 808 S C 2.211 176.951 174.600 0.233 0.000 0.967 808 S CA 0.376 58.752 58.200 0.292 0.000 0.920 808 S CB -0.777 62.563 63.200 0.234 0.000 0.773 808 S HN 0.532 nan 8.310 nan 0.000 0.529 809 G N 2.456 111.316 108.800 0.100 0.000 2.469 809 G HA2 -0.285 3.673 3.960 -0.004 0.000 0.219 809 G HA3 -0.285 3.673 3.960 -0.004 0.000 0.219 809 G C 1.344 176.198 174.900 -0.077 0.000 1.150 809 G CA 1.029 46.149 45.100 0.034 0.000 0.763 809 G HN 0.609 nan 8.290 nan 0.000 0.561 810 K N -0.282 119.955 120.400 -0.272 0.000 2.152 810 K HA -0.079 4.238 4.320 -0.004 0.000 0.206 810 K C 1.508 177.736 176.600 -0.620 0.000 1.048 810 K CA 0.957 56.919 56.287 -0.541 0.000 0.933 810 K CB -0.264 31.698 32.500 -0.896 0.000 0.721 810 K HN 0.359 nan 8.250 nan 0.000 0.447 811 F N 1.007 120.987 119.950 0.050 0.000 2.769 811 F HA 0.117 4.641 4.527 -0.005 0.000 0.304 811 F C 0.979 176.824 175.800 0.075 0.000 1.158 811 F CA -0.165 57.871 58.000 0.059 0.000 1.398 811 F CB -0.216 38.816 39.000 0.053 0.000 1.094 811 F HN -0.129 nan 8.300 nan 0.000 0.553 812 S N 0.242 116.017 115.700 0.124 0.000 2.564 812 S HA 0.072 4.540 4.470 -0.004 0.000 0.278 812 S C 1.502 176.182 174.600 0.133 0.000 1.333 812 S CA -0.035 58.240 58.200 0.125 0.000 1.048 812 S CB 0.726 63.971 63.200 0.075 0.000 0.900 812 S HN 0.351 nan 8.310 nan 0.000 0.505 813 S N 3.073 118.878 115.700 0.174 0.000 2.515 813 S HA -0.059 4.409 4.470 -0.004 0.000 0.231 813 S C 0.943 175.606 174.600 0.105 0.000 0.987 813 S CA 0.591 58.919 58.200 0.214 0.000 0.936 813 S CB -0.328 63.074 63.200 0.336 0.000 0.766 813 S HN 0.789 nan 8.310 nan 0.000 0.528 814 D N 1.997 122.440 120.400 0.070 0.000 2.117 814 D HA -0.084 4.553 4.640 -0.004 0.000 0.197 814 D C 2.095 178.400 176.300 0.008 0.000 0.987 814 D CA 0.795 54.814 54.000 0.031 0.000 0.829 814 D CB -0.347 40.469 40.800 0.027 0.000 0.961 814 D HN 0.287 nan 8.370 nan 0.000 0.460 815 R N 0.780 121.285 120.500 0.008 0.000 2.070 815 R HA -0.107 4.231 4.340 -0.004 0.000 0.233 815 R C 1.963 178.248 176.300 -0.026 0.000 1.137 815 R CA 1.572 57.659 56.100 -0.021 0.000 0.945 815 R CB -0.798 29.474 30.300 -0.047 0.000 0.845 815 R HN 0.143 nan 8.270 nan 0.000 0.430 816 T N 2.399 116.961 114.554 0.012 0.000 2.607 816 T HA -0.163 4.184 4.350 -0.004 0.000 0.267 816 T C 1.981 176.669 174.700 -0.019 0.000 1.049 816 T CA 1.573 63.695 62.100 0.037 0.000 1.162 816 T CB -0.226 68.746 68.868 0.174 0.000 0.863 816 T HN 0.125 nan 8.240 nan 0.000 0.424 817 I N 1.768 122.251 120.570 -0.144 0.000 2.208 817 I HA -0.172 3.996 4.170 -0.004 0.000 0.245 817 I C 2.956 179.012 176.117 -0.102 0.000 1.097 817 I CA 1.281 62.453 61.300 -0.214 0.000 1.363 817 I CB -1.621 36.259 38.000 -0.201 0.000 1.051 817 I HN 0.225 nan 8.210 nan 0.000 0.413 818 A N 0.241 123.027 122.820 -0.056 0.000 1.940 818 A HA -0.245 4.072 4.320 -0.004 0.000 0.219 818 A C 2.246 179.777 177.584 -0.088 0.000 1.176 818 A CA 1.515 53.527 52.037 -0.042 0.000 0.631 818 A CB -0.589 18.396 19.000 -0.025 0.000 0.814 818 A HN 0.534 nan 8.150 nan 0.000 0.446 819 Q N -1.785 117.943 119.800 -0.121 0.000 2.079 819 Q HA -0.184 4.154 4.340 -0.004 0.000 0.200 819 Q C 1.969 177.782 176.000 -0.312 0.000 0.974 819 Q CA 1.693 57.383 55.803 -0.188 0.000 0.840 819 Q CB -0.350 28.268 28.738 -0.200 0.000 0.898 819 Q HN 0.818 nan 8.270 nan 0.000 0.430 820 Y N 0.702 120.694 120.300 -0.513 0.000 2.128 820 Y HA -0.288 4.260 4.550 -0.004 0.000 0.284 820 Y C 2.512 177.841 175.900 -0.952 0.000 1.154 820 Y CA 1.312 58.859 58.100 -0.922 0.000 1.149 820 Y CB -0.531 37.021 38.460 -1.512 0.000 0.976 820 Y HN 0.159 nan 8.280 nan 0.000 0.505 821 A N 0.223 122.792 122.820 -0.419 0.000 1.883 821 A HA -0.227 4.091 4.320 -0.004 0.000 0.217 821 A C 2.222 179.818 177.584 0.020 0.000 1.186 821 A CA 2.109 54.161 52.037 0.025 0.000 0.624 821 A CB -0.565 18.543 19.000 0.180 0.000 0.822 821 A HN 0.439 nan 8.150 nan 0.000 0.444 822 R N -0.731 119.741 120.500 -0.046 0.000 2.093 822 R HA 0.013 4.350 4.340 -0.004 0.000 0.224 822 R C 1.815 178.090 176.300 -0.041 0.000 1.101 822 R CA 1.361 57.448 56.100 -0.021 0.000 0.979 822 R CB -0.132 30.152 30.300 -0.027 0.000 0.877 822 R HN 0.633 nan 8.270 nan 0.000 0.441 823 E N -0.481 119.653 120.200 -0.110 0.000 2.447 823 E HA 0.088 4.435 4.350 -0.004 0.000 0.195 823 E C 1.223 177.778 176.600 -0.075 0.000 1.028 823 E CA 0.479 56.820 56.400 -0.098 0.000 0.876 823 E CB 0.539 30.148 29.700 -0.150 0.000 0.885 823 E HN 0.305 nan 8.360 nan 0.000 0.500 824 I N -1.406 119.098 120.570 -0.110 0.000 3.746 824 I HA 0.007 4.175 4.170 -0.004 0.000 0.262 824 I C 1.234 177.503 176.117 0.255 0.000 1.153 824 I CA -0.159 61.142 61.300 0.001 0.000 1.395 824 I CB 0.153 38.020 38.000 -0.222 0.000 1.589 824 I HN 0.111 nan 8.210 nan 0.000 0.441 825 W N 1.743 123.137 121.300 0.157 0.000 2.467 825 W HA 0.217 4.875 4.660 -0.004 0.000 0.275 825 W C 1.596 178.159 176.519 0.073 0.000 1.239 825 W CA 1.095 58.517 57.345 0.129 0.000 1.266 825 W CB -1.237 28.285 29.460 0.105 0.000 1.112 825 W HN 0.385 nan 8.180 nan 0.000 0.576 826 G N 0.684 109.630 108.800 0.243 0.000 2.212 826 G HA2 -0.116 3.842 3.960 -0.004 0.000 0.255 826 G HA3 -0.116 3.842 3.960 -0.004 0.000 0.255 826 G C -0.284 174.693 174.900 0.129 0.000 1.062 826 G CA 0.193 45.375 45.100 0.138 0.000 0.815 826 G HN 0.470 nan 8.290 nan 0.000 0.497 827 V N -3.328 116.684 119.914 0.163 0.000 2.876 827 V HA 0.910 5.028 4.120 -0.004 0.000 0.312 827 V C -0.255 175.902 176.094 0.104 0.000 1.085 827 V CA -1.482 60.892 62.300 0.124 0.000 0.945 827 V CB 2.242 34.145 31.823 0.133 0.000 1.017 827 V HN 0.379 nan 8.190 nan 0.000 0.428 828 E N 5.387 125.631 120.200 0.072 0.000 2.130 828 E HA 0.585 4.932 4.350 -0.004 0.000 0.284 828 E C -2.369 174.269 176.600 0.064 0.000 1.018 828 E CA -2.028 54.407 56.400 0.058 0.000 0.817 828 E CB 1.150 30.876 29.700 0.044 0.000 1.078 828 E HN 0.779 nan 8.360 nan 0.000 0.396 829 P HA 0.162 nan 4.420 nan 0.000 0.272 829 P C -0.907 176.425 177.300 0.054 0.000 1.230 829 P CA -0.470 62.667 63.100 0.063 0.000 0.788 829 P CB 1.241 32.973 31.700 0.054 0.000 0.949 830 S N 0.501 116.236 115.700 0.057 0.000 2.537 830 S HA 0.391 4.859 4.470 -0.004 0.000 0.270 830 S C 0.200 174.830 174.600 0.050 0.000 1.142 830 S CA -0.750 57.482 58.200 0.053 0.000 0.870 830 S CB 1.153 64.391 63.200 0.063 0.000 1.112 830 S HN 0.253 nan 8.310 nan 0.000 0.466 831 R N 1.557 122.081 120.500 0.041 0.000 2.393 831 R HA 0.199 4.537 4.340 -0.004 0.000 0.244 831 R C 0.149 176.465 176.300 0.027 0.000 0.920 831 R CA -0.135 55.988 56.100 0.038 0.000 1.076 831 R CB -0.201 30.122 30.300 0.037 0.000 1.119 831 R HN 0.697 nan 8.270 nan 0.000 0.524 832 Q N 1.630 121.447 119.800 0.027 0.000 2.337 832 Q HA 0.038 4.376 4.340 -0.004 0.000 0.270 832 Q C -0.222 175.776 176.000 -0.002 0.000 1.002 832 Q CA 0.281 56.092 55.803 0.014 0.000 0.888 832 Q CB 0.548 29.299 28.738 0.022 0.000 1.222 832 Q HN -0.057 nan 8.270 nan 0.000 0.400 833 R N 3.342 123.830 120.500 -0.020 0.000 2.594 833 R HA 0.291 4.628 4.340 -0.004 0.000 0.272 833 R C -0.426 175.833 176.300 -0.069 0.000 1.074 833 R CA -0.350 55.725 56.100 -0.042 0.000 1.105 833 R CB 0.460 30.734 30.300 -0.043 0.000 1.008 833 R HN 0.708 nan 8.270 nan 0.000 0.472 834 L N 4.456 125.621 121.223 -0.096 0.000 2.379 834 L HA 0.370 4.708 4.340 -0.004 0.000 0.269 834 L C -1.891 174.922 176.870 -0.095 0.000 1.084 834 L CA -2.264 52.489 54.840 -0.144 0.000 0.802 834 L CB 1.410 43.354 42.059 -0.192 0.000 1.175 834 L HN 0.487 nan 8.230 nan 0.000 0.448 835 P HA -0.059 nan 4.420 nan 0.000 0.261 835 P C -0.493 176.781 177.300 -0.043 0.000 1.173 835 P CA 0.114 63.182 63.100 -0.053 0.000 0.760 835 P CB 0.425 32.098 31.700 -0.045 0.000 0.783 836 A N 0.000 122.801 122.820 -0.031 0.000 2.254 836 A HA 0.000 4.318 4.320 -0.004 0.000 0.244 836 A CA 0.000 52.023 52.037 -0.023 0.000 0.836 836 A CB 0.000 18.988 19.000 -0.020 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486