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 3iwk_1_K DATA FIRST_RESID 7 DATA SEQUENCE SRQLFIDGEW RVPILNKRIP NINPSTENII GDIPAATKED VDLAVDAAKR DATA SEQUENCE AISRKNGRDW SAASGSLRAR YLRAIAAKIK EKKDELGKLE SIDCGKPLEE DATA SEQUENCE ALADLDDVVA CFEYYAGLAE ELDSKQKAPI SLPMDTFKSY ILKEPIGVVA DATA SEQUENCE LITPWNYPFL MATWKIAPAL AAGCAAILKP SELASVTCLE LGEICKEVGL DATA SEQUENCE PRGVLNIVTG LGHEAGASLA SHPDVDKISF TGSSATGSKI MTTAAQLVKP DATA SEQUENCE VSLELGGKSP IVVFEDVDLD KVAEWTVFGC FFTNGQICSA TSRLIVHESI DATA SEQUENCE AVEFVDKLVK WAENIKISDP LEEGCRLGPI VSEAQYKKVL NCISSAKSEG DATA SEQUENCE ATILTGGRRP EHLKKGYFVE PTIITDVTTS MQIWREEVFG PVLAVKTFST DATA SEQUENCE EEEAINLAND THYGLGSAVM SNDLERCERL SKALQAGIVW INCAQPSFIQ DATA SEQUENCE APWGGIKRSG FGRELGEWGL ENYLSVKQVT RYTSDEPWGW YQPPSK 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 7 S HA 0.000 nan 4.470 nan 0.000 0.327 7 S C 0.000 174.478 174.600 -0.203 0.000 1.055 7 S CA 0.000 58.123 58.200 -0.128 0.000 1.107 7 S CB 0.000 63.138 63.200 -0.104 0.000 0.593 8 R N 1.131 121.488 120.500 -0.237 0.000 2.549 8 R HA 0.584 4.923 4.340 -0.001 0.000 0.267 8 R C 0.225 176.417 176.300 -0.180 0.000 1.045 8 R CA -0.886 54.971 56.100 -0.405 0.000 1.115 8 R CB 0.504 30.505 30.300 -0.498 0.000 1.121 8 R HN 0.421 nan 8.270 nan 0.000 0.543 9 Q N 0.622 120.367 119.800 -0.092 0.000 2.547 9 Q HA 0.425 4.765 4.340 -0.001 0.000 0.181 9 Q C 0.131 176.371 176.000 0.400 0.000 1.005 9 Q CA -0.836 55.072 55.803 0.175 0.000 1.005 9 Q CB 0.360 29.219 28.738 0.202 0.000 1.574 9 Q HN 0.375 nan 8.270 nan 0.000 0.499 10 L N 0.814 122.233 121.223 0.328 0.000 2.371 10 L HA 0.266 4.606 4.340 -0.001 0.000 0.272 10 L C -0.110 176.950 176.870 0.316 0.000 1.124 10 L CA -0.377 54.633 54.840 0.285 0.000 0.816 10 L CB 0.074 42.217 42.059 0.140 0.000 1.129 10 L HN 0.343 nan 8.230 nan 0.000 0.448 11 F N 4.864 124.814 119.950 0.000 0.000 2.334 11 F HA 0.510 5.037 4.527 -0.001 0.000 0.365 11 F C -0.250 175.428 175.800 -0.203 0.000 1.124 11 F CA -0.474 57.343 58.000 -0.306 0.000 1.166 11 F CB 0.153 38.858 39.000 -0.492 0.000 1.355 11 F HN 0.175 nan 8.300 nan 0.000 0.532 12 I N 5.302 125.569 120.570 -0.505 0.000 2.466 12 I HA 0.211 4.380 4.170 -0.001 0.000 0.289 12 I C -0.295 175.498 176.117 -0.539 0.000 1.026 12 I CA -0.819 60.231 61.300 -0.416 0.000 1.078 12 I CB 1.669 39.552 38.000 -0.194 0.000 1.249 12 I HN 0.367 nan 8.210 nan 0.000 0.429 13 D N 5.050 125.147 120.400 -0.505 0.000 2.772 13 D HA -0.181 4.459 4.640 -0.001 0.000 0.233 13 D C 1.013 177.017 176.300 -0.494 0.000 1.143 13 D CA 1.680 55.436 54.000 -0.406 0.000 0.700 13 D CB -0.758 39.888 40.800 -0.255 0.000 1.076 13 D HN 1.143 nan 8.370 nan 0.000 0.430 14 G N -0.377 107.925 108.800 -0.829 0.000 2.179 14 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.260 14 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.260 14 G C 0.018 174.553 174.900 -0.609 0.000 0.977 14 G CA 0.941 45.623 45.100 -0.697 0.000 0.641 14 G HN 0.874 nan 8.290 nan 0.000 0.533 15 E N -1.178 118.576 120.200 -0.744 0.000 2.429 15 E HA 0.542 4.891 4.350 -0.001 0.000 0.276 15 E C -0.915 175.460 176.600 -0.375 0.000 0.953 15 E CA -1.633 54.526 56.400 -0.401 0.000 0.787 15 E CB 0.844 30.445 29.700 -0.166 0.000 1.307 15 E HN 0.222 nan 8.360 nan 0.000 0.458 16 W N 1.018 122.365 121.300 0.079 0.000 2.266 16 W HA 0.410 5.069 4.660 -0.001 0.000 0.317 16 W C 0.522 177.055 176.519 0.023 0.000 1.310 16 W CA -0.471 56.930 57.345 0.093 0.000 1.207 16 W CB 0.902 30.422 29.460 0.099 0.000 1.199 16 W HN 0.151 nan 8.180 nan 0.000 0.544 17 R N 2.004 122.657 120.500 0.254 0.000 2.538 17 R HA 0.389 4.728 4.340 -0.001 0.000 0.292 17 R C -1.052 175.324 176.300 0.126 0.000 1.008 17 R CA -0.987 55.193 56.100 0.132 0.000 0.896 17 R CB 2.099 32.426 30.300 0.044 0.000 1.187 17 R HN 0.231 nan 8.270 nan 0.000 0.440 18 V N 4.785 124.753 119.914 0.090 0.000 2.655 18 V HA 0.076 4.196 4.120 -0.001 0.000 0.300 18 V C -1.879 174.244 176.094 0.049 0.000 1.044 18 V CA -1.091 61.248 62.300 0.064 0.000 1.095 18 V CB 0.538 32.386 31.823 0.042 0.000 0.952 18 V HN 0.627 nan 8.190 nan 0.000 0.485 19 P HA 0.112 nan 4.420 nan 0.000 0.264 19 P C 1.116 178.430 177.300 0.023 0.000 1.183 19 P CA 0.199 63.319 63.100 0.032 0.000 0.763 19 P CB 0.452 32.169 31.700 0.028 0.000 0.807 20 I N 2.233 122.814 120.570 0.019 0.000 2.145 20 I HA -0.273 3.897 4.170 -0.001 0.000 0.244 20 I C 1.685 177.809 176.117 0.012 0.000 1.075 20 I CA 1.757 63.066 61.300 0.014 0.000 1.332 20 I CB -0.320 37.687 38.000 0.012 0.000 1.033 20 I HN 0.390 nan 8.210 nan 0.000 0.410 21 L N 0.349 121.579 121.223 0.012 0.000 2.612 21 L HA 0.082 4.422 4.340 -0.001 0.000 0.230 21 L C 0.822 177.698 176.870 0.010 0.000 1.140 21 L CA 0.019 54.865 54.840 0.010 0.000 0.896 21 L CB -0.505 41.560 42.059 0.009 0.000 1.065 21 L HN 0.381 nan 8.230 nan 0.000 0.447 22 N N 0.978 119.685 118.700 0.012 0.000 2.713 22 N HA -0.210 4.529 4.740 -0.001 0.000 0.251 22 N C 0.024 175.539 175.510 0.009 0.000 1.117 22 N CA 0.977 54.033 53.050 0.011 0.000 0.770 22 N CB -0.738 37.754 38.487 0.009 0.000 1.137 22 N HN 0.374 nan 8.380 nan 0.000 0.566 23 K N 0.385 120.790 120.400 0.009 0.000 2.202 23 K HA 0.328 4.648 4.320 -0.001 0.000 0.264 23 K C 0.412 177.016 176.600 0.006 0.000 1.010 23 K CA -0.004 56.287 56.287 0.007 0.000 0.940 23 K CB 0.869 33.372 32.500 0.006 0.000 0.983 23 K HN 0.112 nan 8.250 nan 0.000 0.475 24 R N 1.499 122.001 120.500 0.004 0.000 2.725 24 R HA 0.461 4.801 4.340 -0.001 0.000 0.277 24 R C -0.862 175.439 176.300 0.001 0.000 0.987 24 R CA -0.865 55.236 56.100 0.002 0.000 0.901 24 R CB 1.528 31.827 30.300 -0.002 0.000 1.207 24 R HN 0.486 nan 8.270 nan 0.000 0.463 25 I N 2.996 123.566 120.570 0.001 0.000 2.378 25 I HA 0.309 4.478 4.170 -0.001 0.000 0.291 25 I C -2.192 173.922 176.117 -0.006 0.000 0.992 25 I CA -2.394 58.906 61.300 0.000 0.000 1.154 25 I CB 2.040 40.041 38.000 0.003 0.000 1.315 25 I HN 0.194 nan 8.210 nan 0.000 0.448 26 P HA 0.030 nan 4.420 nan 0.000 0.266 26 P C -1.030 176.259 177.300 -0.018 0.000 1.195 26 P CA -0.136 62.956 63.100 -0.013 0.000 0.768 26 P CB 0.421 32.115 31.700 -0.011 0.000 0.838 27 N N 2.583 121.269 118.700 -0.023 0.000 2.443 27 N HA 0.349 5.088 4.740 -0.001 0.000 0.269 27 N C -1.270 174.222 175.510 -0.030 0.000 0.985 27 N CA -0.442 52.590 53.050 -0.029 0.000 0.921 27 N CB 0.183 38.652 38.487 -0.031 0.000 1.195 27 N HN 0.191 nan 8.380 nan 0.000 0.492 28 I N 2.250 122.803 120.570 -0.029 0.000 2.359 28 I HA 0.240 4.409 4.170 -0.001 0.000 0.294 28 I C 0.562 176.660 176.117 -0.032 0.000 0.987 28 I CA -0.834 60.455 61.300 -0.019 0.000 1.225 28 I CB 1.080 39.091 38.000 0.019 0.000 1.366 28 I HN 0.538 nan 8.210 nan 0.000 0.466 29 N N 8.149 126.817 118.700 -0.054 0.000 2.438 29 N HA 0.091 4.830 4.740 -0.001 0.000 0.267 29 N C -1.550 173.883 175.510 -0.128 0.000 1.222 29 N CA -1.167 51.835 53.050 -0.081 0.000 0.930 29 N CB 0.922 39.360 38.487 -0.082 0.000 1.083 29 N HN 0.378 nan 8.380 nan 0.000 0.476 30 P HA -0.093 nan 4.420 nan 0.000 0.229 30 P C 0.872 177.884 177.300 -0.480 0.000 1.160 30 P CA 0.698 63.678 63.100 -0.200 0.000 0.777 30 P CB 0.350 32.003 31.700 -0.078 0.000 0.814 31 S N -0.128 115.391 115.700 -0.302 0.000 2.406 31 S HA -0.056 4.414 4.470 -0.001 0.000 0.224 31 S C 1.881 176.407 174.600 -0.123 0.000 1.030 31 S CA 1.914 60.003 58.200 -0.184 0.000 0.958 31 S CB -0.848 62.337 63.200 -0.026 0.000 0.811 31 S HN 0.332 nan 8.310 nan 0.000 0.489 32 T N -2.573 111.878 114.554 -0.172 0.000 3.000 32 T HA 0.352 4.702 4.350 -0.001 0.000 0.248 32 T C 0.511 175.082 174.700 -0.215 0.000 1.034 32 T CA 0.736 62.748 62.100 -0.146 0.000 1.060 32 T CB -0.245 68.566 68.868 -0.094 0.000 0.983 32 T HN 0.499 nan 8.240 nan 0.000 0.482 33 E N 0.363 120.383 120.200 -0.300 0.000 4.047 33 E HA -0.121 4.229 4.350 -0.001 0.000 0.340 33 E C -0.952 175.579 176.600 -0.115 0.000 0.720 33 E CA 0.310 56.542 56.400 -0.280 0.000 1.320 33 E CB -1.502 28.015 29.700 -0.306 0.000 1.685 33 E HN 0.527 nan 8.360 nan 0.000 0.416 34 N N 0.815 119.457 118.700 -0.098 0.000 2.487 34 N HA 0.357 5.097 4.740 -0.001 0.000 0.292 34 N C 0.117 175.600 175.510 -0.045 0.000 1.108 34 N CA -0.282 52.732 53.050 -0.059 0.000 0.956 34 N CB 0.761 39.215 38.487 -0.056 0.000 1.176 34 N HN 0.064 nan 8.380 nan 0.000 0.484 35 I N 2.329 122.880 120.570 -0.032 0.000 2.587 35 I HA -0.011 4.158 4.170 -0.001 0.000 0.284 35 I C 1.469 177.566 176.117 -0.032 0.000 1.134 35 I CA 0.199 61.483 61.300 -0.028 0.000 1.410 35 I CB 0.211 38.198 38.000 -0.021 0.000 1.392 35 I HN 0.571 nan 8.210 nan 0.000 0.545 36 I N 2.535 123.084 120.570 -0.035 0.000 4.227 36 I HA 0.612 4.781 4.170 -0.001 0.000 0.334 36 I C 0.729 176.824 176.117 -0.037 0.000 1.341 36 I CA -0.148 61.129 61.300 -0.037 0.000 1.123 36 I CB 0.419 38.394 38.000 -0.042 0.000 1.097 36 I HN 0.594 nan 8.210 nan 0.000 0.399 37 G N 1.073 109.852 108.800 -0.034 0.000 2.341 37 G HA2 0.453 4.412 3.960 -0.001 0.000 0.299 37 G HA3 0.453 4.412 3.960 -0.001 0.000 0.299 37 G C -2.393 172.489 174.900 -0.030 0.000 1.274 37 G CA 0.038 45.116 45.100 -0.036 0.000 0.853 37 G HN 0.296 nan 8.290 nan 0.000 0.493 38 D N -1.623 118.758 120.400 -0.031 0.000 2.643 38 D HA 0.711 5.350 4.640 -0.001 0.000 0.283 38 D C -1.145 175.142 176.300 -0.021 0.000 1.242 38 D CA -0.600 53.386 54.000 -0.023 0.000 0.863 38 D CB 1.429 42.217 40.800 -0.020 0.000 1.382 38 D HN 0.515 nan 8.370 nan 0.000 0.444 39 I N -0.229 120.335 120.570 -0.010 0.000 2.656 39 I HA 0.337 4.507 4.170 -0.001 0.000 0.292 39 I C -2.632 173.491 176.117 0.010 0.000 1.144 39 I CA -2.320 58.980 61.300 0.000 0.000 1.038 39 I CB 1.838 39.842 38.000 0.007 0.000 1.244 39 I HN 0.171 nan 8.210 nan 0.000 0.420 40 P HA 0.144 nan 4.420 nan 0.000 0.265 40 P C -0.625 176.692 177.300 0.028 0.000 1.193 40 P CA -0.177 62.941 63.100 0.030 0.000 0.765 40 P CB 0.590 32.324 31.700 0.056 0.000 0.823 41 A N 3.133 125.964 122.820 0.018 0.000 2.654 41 A HA 0.610 4.929 4.320 -0.001 0.000 0.345 41 A C 0.428 178.015 177.584 0.006 0.000 1.368 41 A CA -0.571 51.470 52.037 0.007 0.000 0.895 41 A CB -0.329 18.671 19.000 -0.001 0.000 1.143 41 A HN 0.558 nan 8.150 nan 0.000 0.490 42 A N 2.258 125.085 122.820 0.012 0.000 2.425 42 A HA 0.636 4.956 4.320 -0.001 0.000 0.242 42 A C 0.733 178.314 177.584 -0.004 0.000 1.077 42 A CA 0.394 52.439 52.037 0.013 0.000 0.781 42 A CB 0.083 19.097 19.000 0.024 0.000 1.020 42 A HN 0.706 nan 8.150 nan 0.000 0.494 43 T N 0.320 114.875 114.554 0.002 0.000 2.773 43 T HA 0.369 4.719 4.350 -0.001 0.000 0.278 43 T C 1.193 175.900 174.700 0.011 0.000 1.011 43 T CA -0.269 61.829 62.100 -0.004 0.000 1.014 43 T CB 1.298 70.164 68.868 -0.003 0.000 1.293 43 T HN 0.688 nan 8.240 nan 0.000 0.554 44 K N 0.991 121.399 120.400 0.013 0.000 2.090 44 K HA -0.259 4.060 4.320 -0.001 0.000 0.218 44 K C 1.805 178.428 176.600 0.038 0.000 1.055 44 K CA 2.285 58.589 56.287 0.027 0.000 0.941 44 K CB -0.260 32.250 32.500 0.017 0.000 0.722 44 K HN 0.647 nan 8.250 nan 0.000 0.458 45 E N -0.491 119.725 120.200 0.026 0.000 2.208 45 E HA -0.119 4.230 4.350 -0.001 0.000 0.193 45 E C 1.549 178.165 176.600 0.026 0.000 0.988 45 E CA 0.986 57.402 56.400 0.027 0.000 0.828 45 E CB -0.007 29.703 29.700 0.017 0.000 0.763 45 E HN 0.464 nan 8.360 nan 0.000 0.478 46 D N 0.539 120.953 120.400 0.022 0.000 2.123 46 D HA -0.109 4.531 4.640 -0.001 0.000 0.200 46 D C 2.124 178.433 176.300 0.015 0.000 0.976 46 D CA 0.818 54.827 54.000 0.016 0.000 0.831 46 D CB -0.040 40.771 40.800 0.019 0.000 0.974 46 D HN 0.041 nan 8.370 nan 0.000 0.469 47 V N 2.005 121.937 119.914 0.030 0.000 2.407 47 V HA -0.214 3.905 4.120 -0.001 0.000 0.248 47 V C 1.889 178.009 176.094 0.042 0.000 1.055 47 V CA 1.662 63.982 62.300 0.034 0.000 1.049 47 V CB -0.447 31.413 31.823 0.062 0.000 0.662 47 V HN 0.013 nan 8.190 nan 0.000 0.455 48 D N 0.171 120.628 120.400 0.096 0.000 2.117 48 D HA -0.129 4.511 4.640 -0.001 0.000 0.197 48 D C 2.103 178.430 176.300 0.044 0.000 0.987 48 D CA 1.210 55.297 54.000 0.144 0.000 0.829 48 D CB -0.258 40.623 40.800 0.134 0.000 0.961 48 D HN 0.349 nan 8.370 nan 0.000 0.460 49 L N 0.360 121.588 121.223 0.008 0.000 2.093 49 L HA -0.098 4.242 4.340 -0.001 0.000 0.208 49 L C 2.455 179.285 176.870 -0.067 0.000 1.085 49 L CA 0.971 55.794 54.840 -0.027 0.000 0.755 49 L CB -0.337 41.704 42.059 -0.030 0.000 0.904 49 L HN -0.022 nan 8.230 nan 0.000 0.435 50 A N -0.274 122.503 122.820 -0.071 0.000 1.873 50 A HA -0.135 4.185 4.320 -0.001 0.000 0.215 50 A C 2.319 179.823 177.584 -0.133 0.000 1.186 50 A CA 1.712 53.688 52.037 -0.100 0.000 0.616 50 A CB -0.802 18.155 19.000 -0.072 0.000 0.823 50 A HN 0.162 nan 8.150 nan 0.000 0.442 51 V N 0.384 120.188 119.914 -0.184 0.000 2.343 51 V HA -0.272 3.847 4.120 -0.001 0.000 0.247 51 V C 2.151 178.133 176.094 -0.188 0.000 1.051 51 V CA 2.459 64.585 62.300 -0.290 0.000 1.036 51 V CB -1.011 30.357 31.823 -0.758 0.000 0.654 51 V HN 0.572 nan 8.190 nan 0.000 0.451 52 D N 0.213 120.542 120.400 -0.119 0.000 2.104 52 D HA -0.164 4.475 4.640 -0.001 0.000 0.194 52 D C 2.208 178.464 176.300 -0.073 0.000 0.994 52 D CA 1.606 55.571 54.000 -0.059 0.000 0.830 52 D CB -0.265 40.521 40.800 -0.022 0.000 0.959 52 D HN 0.423 nan 8.370 nan 0.000 0.452 53 A N 0.681 123.442 122.820 -0.098 0.000 1.883 53 A HA -0.120 4.199 4.320 -0.001 0.000 0.217 53 A C 2.277 179.789 177.584 -0.120 0.000 1.186 53 A CA 2.235 54.200 52.037 -0.120 0.000 0.624 53 A CB -1.065 17.839 19.000 -0.160 0.000 0.822 53 A HN 0.265 nan 8.150 nan 0.000 0.444 54 A N -0.392 122.356 122.820 -0.120 0.000 1.883 54 A HA -0.203 4.117 4.320 -0.001 0.000 0.217 54 A C 2.151 179.695 177.584 -0.066 0.000 1.186 54 A CA 2.157 54.131 52.037 -0.104 0.000 0.624 54 A CB -0.498 18.443 19.000 -0.097 0.000 0.822 54 A HN 0.574 nan 8.150 nan 0.000 0.444 55 K N -0.479 119.886 120.400 -0.058 0.000 2.026 55 K HA -0.146 4.174 4.320 -0.001 0.000 0.208 55 K C 2.277 178.867 176.600 -0.017 0.000 1.048 55 K CA 1.477 57.748 56.287 -0.026 0.000 0.929 55 K CB -0.163 32.326 32.500 -0.019 0.000 0.713 55 K HN 0.455 nan 8.250 nan 0.000 0.439 56 R N -0.209 120.273 120.500 -0.031 0.000 2.115 56 R HA -0.042 4.297 4.340 -0.001 0.000 0.230 56 R C 2.319 178.604 176.300 -0.024 0.000 1.111 56 R CA 0.976 57.061 56.100 -0.025 0.000 0.976 56 R CB -0.261 30.017 30.300 -0.036 0.000 0.870 56 R HN 0.214 nan 8.270 nan 0.000 0.445 57 A N 1.044 123.837 122.820 -0.046 0.000 2.019 57 A HA -0.117 4.202 4.320 -0.001 0.000 0.219 57 A C 2.037 179.632 177.584 0.018 0.000 1.164 57 A CA 1.169 53.179 52.037 -0.046 0.000 0.644 57 A CB -0.313 18.617 19.000 -0.118 0.000 0.805 57 A HN 0.191 nan 8.150 nan 0.000 0.449 58 I N -1.101 119.487 120.570 0.029 0.000 2.584 58 I HA -0.098 4.071 4.170 -0.001 0.000 0.255 58 I C 2.413 178.563 176.117 0.055 0.000 1.145 58 I CA 0.898 62.238 61.300 0.068 0.000 1.462 58 I CB 0.053 38.092 38.000 0.065 0.000 1.102 58 I HN 0.183 nan 8.210 nan 0.000 0.433 59 S N 0.047 115.767 115.700 0.033 0.000 2.395 59 S HA -0.032 4.437 4.470 -0.001 0.000 0.225 59 S C 1.132 175.749 174.600 0.029 0.000 1.027 59 S CA 0.073 58.290 58.200 0.028 0.000 0.965 59 S CB -0.212 62.999 63.200 0.018 0.000 0.812 59 S HN 0.282 nan 8.310 nan 0.000 0.482 60 R N 2.413 122.929 120.500 0.025 0.000 2.485 60 R HA -0.086 4.253 4.340 -0.001 0.000 0.304 60 R C -0.424 175.896 176.300 0.034 0.000 0.934 60 R CA 0.742 56.856 56.100 0.023 0.000 1.102 60 R CB -0.173 30.136 30.300 0.015 0.000 0.906 60 R HN 0.178 nan 8.270 nan 0.000 0.407 61 K N 3.957 124.374 120.400 0.027 0.000 3.077 61 K HA -0.336 3.984 4.320 -0.001 0.000 0.264 61 K C -0.387 176.233 176.600 0.033 0.000 1.008 61 K CA 0.873 57.177 56.287 0.030 0.000 0.740 61 K CB -1.135 31.386 32.500 0.035 0.000 1.273 61 K HN 0.923 nan 8.250 nan 0.000 0.477 62 N N -2.357 116.360 118.700 0.030 0.000 2.778 62 N HA -0.245 4.495 4.740 -0.001 0.000 0.249 62 N C 0.786 176.318 175.510 0.037 0.000 1.069 62 N CA 2.075 55.143 53.050 0.029 0.000 0.831 62 N CB -1.497 37.005 38.487 0.024 0.000 1.142 62 N HN 0.929 nan 8.380 nan 0.000 0.573 63 G N -0.230 108.600 108.800 0.049 0.000 2.176 63 G HA2 -0.415 3.544 3.960 -0.001 0.000 0.253 63 G HA3 -0.415 3.544 3.960 -0.001 0.000 0.253 63 G C 0.713 175.654 174.900 0.069 0.000 0.979 63 G CA 0.879 46.019 45.100 0.067 0.000 0.641 63 G HN 0.623 nan 8.290 nan 0.000 0.530 64 R N 0.379 120.912 120.500 0.056 0.000 2.241 64 R HA -0.033 4.306 4.340 -0.001 0.000 0.224 64 R C 1.702 178.049 176.300 0.077 0.000 1.101 64 R CA 1.689 57.818 56.100 0.049 0.000 0.995 64 R CB -0.184 30.139 30.300 0.038 0.000 0.870 64 R HN 0.372 nan 8.270 nan 0.000 0.463 65 D N -1.343 119.124 120.400 0.112 0.000 2.234 65 D HA -0.133 4.506 4.640 -0.001 0.000 0.205 65 D C 1.021 177.499 176.300 0.296 0.000 0.962 65 D CA 0.925 55.027 54.000 0.170 0.000 0.855 65 D CB 0.179 41.063 40.800 0.139 0.000 0.951 65 D HN 0.399 nan 8.370 nan 0.000 0.500 66 W N -0.229 121.079 121.300 0.013 0.000 5.120 66 W HA -0.083 4.576 4.660 -0.001 0.000 0.169 66 W C 2.036 178.565 176.519 0.017 0.000 3.038 66 W CA 0.654 58.004 57.345 0.009 0.000 1.923 66 W CB -0.436 29.009 29.460 -0.026 0.000 1.318 66 W HN -0.089 nan 8.180 nan 0.000 0.926 67 S N 1.472 117.257 115.700 0.142 0.000 2.383 67 S HA -0.020 4.449 4.470 -0.001 0.000 0.227 67 S C 1.536 176.114 174.600 -0.036 0.000 1.026 67 S CA 1.462 59.686 58.200 0.040 0.000 0.981 67 S CB -0.483 62.802 63.200 0.141 0.000 0.818 67 S HN 0.261 nan 8.310 nan 0.000 0.472 68 A N 0.840 123.654 122.820 -0.010 0.000 2.348 68 A HA 0.786 5.106 4.320 -0.001 0.000 0.224 68 A C 1.132 178.691 177.584 -0.041 0.000 1.227 68 A CA 0.194 52.221 52.037 -0.018 0.000 0.885 68 A CB -0.590 18.416 19.000 0.010 0.000 0.933 68 A HN 0.778 nan 8.150 nan 0.000 0.506 69 A N -0.027 122.751 122.820 -0.070 0.000 2.346 69 A HA 0.481 4.800 4.320 -0.001 0.000 0.255 69 A C 0.896 178.414 177.584 -0.111 0.000 1.113 69 A CA 0.461 52.452 52.037 -0.077 0.000 0.798 69 A CB -0.228 18.724 19.000 -0.080 0.000 1.073 69 A HN 0.606 nan 8.150 nan 0.000 0.502 70 S N -0.897 114.751 115.700 -0.088 0.000 2.562 70 S HA 0.341 4.810 4.470 -0.001 0.000 0.281 70 S C 1.548 176.069 174.600 -0.131 0.000 1.333 70 S CA 0.035 58.182 58.200 -0.089 0.000 1.052 70 S CB 0.608 63.773 63.200 -0.059 0.000 0.884 70 S HN 1.199 nan 8.310 nan 0.000 0.506 71 G N 2.512 111.241 108.800 -0.118 0.000 2.450 71 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.220 71 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.220 71 G C 1.731 176.573 174.900 -0.097 0.000 1.130 71 G CA 1.093 46.119 45.100 -0.124 0.000 0.760 71 G HN 0.976 nan 8.290 nan 0.000 0.557 72 S N 0.276 115.932 115.700 -0.073 0.000 2.402 72 S HA -0.055 4.414 4.470 -0.001 0.000 0.229 72 S C 2.284 176.854 174.600 -0.048 0.000 1.021 72 S CA 1.272 59.441 58.200 -0.052 0.000 0.974 72 S CB -0.295 62.878 63.200 -0.045 0.000 0.800 72 S HN 0.207 nan 8.310 nan 0.000 0.484 73 L N 1.997 123.187 121.223 -0.055 0.000 2.046 73 L HA 0.078 4.417 4.340 -0.001 0.000 0.208 73 L C 2.581 179.477 176.870 0.045 0.000 1.077 73 L CA 1.683 56.512 54.840 -0.018 0.000 0.747 73 L CB -0.808 41.257 42.059 0.010 0.000 0.896 73 L HN 0.249 nan 8.230 nan 0.000 0.432 74 R N -0.635 119.810 120.500 -0.092 0.000 2.115 74 R HA -0.009 4.330 4.340 -0.001 0.000 0.226 74 R C 2.254 178.628 176.300 0.123 0.000 1.100 74 R CA 1.024 57.069 56.100 -0.092 0.000 0.980 74 R CB -0.601 29.403 30.300 -0.494 0.000 0.875 74 R HN 0.503 nan 8.270 nan 0.000 0.445 75 A N 1.314 124.158 122.820 0.041 0.000 1.908 75 A HA -0.212 4.108 4.320 -0.001 0.000 0.218 75 A C 2.076 179.705 177.584 0.075 0.000 1.181 75 A CA 1.448 53.524 52.037 0.065 0.000 0.627 75 A CB -0.294 18.714 19.000 0.014 0.000 0.818 75 A HN 0.090 nan 8.150 nan 0.000 0.445 76 R N -1.455 119.056 120.500 0.018 0.000 2.081 76 R HA -0.071 4.268 4.340 -0.001 0.000 0.235 76 R C 1.879 178.157 176.300 -0.037 0.000 1.131 76 R CA 1.626 57.691 56.100 -0.058 0.000 0.960 76 R CB -0.903 29.293 30.300 -0.174 0.000 0.856 76 R HN 0.671 nan 8.270 nan 0.000 0.436 77 Y N 0.244 120.617 120.300 0.123 0.000 2.224 77 Y HA -0.113 4.436 4.550 -0.001 0.000 0.289 77 Y C 2.021 177.984 175.900 0.105 0.000 1.146 77 Y CA 1.107 59.292 58.100 0.142 0.000 1.182 77 Y CB -0.376 38.252 38.460 0.280 0.000 0.983 77 Y HN -0.019 nan 8.280 nan 0.000 0.524 78 L N -0.628 120.779 121.223 0.307 0.000 2.093 78 L HA -0.211 4.128 4.340 -0.001 0.000 0.208 78 L C 2.439 179.394 176.870 0.142 0.000 1.085 78 L CA 1.308 56.301 54.840 0.256 0.000 0.755 78 L CB -0.424 41.847 42.059 0.353 0.000 0.904 78 L HN 0.166 nan 8.230 nan 0.000 0.435 79 R N -0.200 120.369 120.500 0.114 0.000 2.115 79 R HA -0.056 4.284 4.340 -0.001 0.000 0.226 79 R C 2.365 178.681 176.300 0.027 0.000 1.100 79 R CA 1.121 57.264 56.100 0.071 0.000 0.980 79 R CB -0.326 30.005 30.300 0.050 0.000 0.875 79 R HN 0.320 nan 8.270 nan 0.000 0.445 80 A N 1.420 124.252 122.820 0.021 0.000 1.898 80 A HA -0.105 4.215 4.320 -0.001 0.000 0.216 80 A C 2.142 179.706 177.584 -0.032 0.000 1.181 80 A CA 0.997 53.037 52.037 0.006 0.000 0.620 80 A CB -0.371 18.645 19.000 0.027 0.000 0.819 80 A HN 0.130 nan 8.150 nan 0.000 0.442 81 I N -0.107 120.404 120.570 -0.098 0.000 2.179 81 I HA -0.304 3.865 4.170 -0.001 0.000 0.242 81 I C 3.005 178.954 176.117 -0.279 0.000 1.088 81 I CA 1.116 62.253 61.300 -0.272 0.000 1.357 81 I CB -0.356 37.286 38.000 -0.597 0.000 1.051 81 I HN 0.355 nan 8.210 nan 0.000 0.409 82 A N 0.759 123.441 122.820 -0.229 0.000 1.892 82 A HA -0.263 4.057 4.320 -0.001 0.000 0.218 82 A C 2.545 180.132 177.584 0.006 0.000 1.188 82 A CA 2.238 54.248 52.037 -0.045 0.000 0.631 82 A CB -1.054 18.002 19.000 0.094 0.000 0.822 82 A HN 0.458 nan 8.150 nan 0.000 0.447 83 A N -0.755 122.068 122.820 0.004 0.000 1.908 83 A HA -0.178 4.142 4.320 -0.001 0.000 0.218 83 A C 2.089 179.685 177.584 0.019 0.000 1.181 83 A CA 2.363 54.412 52.037 0.020 0.000 0.627 83 A CB -0.419 18.590 19.000 0.016 0.000 0.818 83 A HN 0.404 nan 8.150 nan 0.000 0.445 84 K N -0.012 120.390 120.400 0.003 0.000 2.026 84 K HA -0.046 4.274 4.320 -0.001 0.000 0.208 84 K C 1.739 178.363 176.600 0.040 0.000 1.048 84 K CA 1.290 57.586 56.287 0.014 0.000 0.929 84 K CB -0.408 32.092 32.500 -0.001 0.000 0.713 84 K HN 0.490 nan 8.250 nan 0.000 0.439 85 I N 0.967 121.566 120.570 0.049 0.000 2.194 85 I HA -0.314 3.855 4.170 -0.001 0.000 0.246 85 I C 2.196 178.382 176.117 0.115 0.000 1.093 85 I CA 1.481 62.855 61.300 0.125 0.000 1.355 85 I CB -0.913 37.175 38.000 0.146 0.000 1.046 85 I HN 0.265 nan 8.210 nan 0.000 0.413 86 K N 1.230 121.680 120.400 0.084 0.000 2.057 86 K HA -0.200 4.119 4.320 -0.001 0.000 0.207 86 K C 2.007 178.647 176.600 0.066 0.000 1.049 86 K CA 1.595 57.929 56.287 0.078 0.000 0.931 86 K CB 0.010 32.550 32.500 0.066 0.000 0.714 86 K HN 0.336 nan 8.250 nan 0.000 0.440 87 E N 0.062 120.294 120.200 0.054 0.000 2.153 87 E HA -0.157 4.192 4.350 -0.001 0.000 0.194 87 E C 1.096 177.723 176.600 0.046 0.000 0.988 87 E CA 1.100 57.526 56.400 0.044 0.000 0.811 87 E CB 0.159 29.879 29.700 0.034 0.000 0.746 87 E HN 0.186 nan 8.360 nan 0.000 0.466 88 K N 0.572 121.006 120.400 0.057 0.000 2.437 88 K HA 0.080 4.399 4.320 -0.001 0.000 0.205 88 K C 1.386 178.029 176.600 0.072 0.000 1.026 88 K CA -0.177 56.142 56.287 0.055 0.000 1.153 88 K CB 0.380 32.910 32.500 0.050 0.000 0.863 88 K HN -0.058 nan 8.250 nan 0.000 0.502 89 K N 1.573 122.022 120.400 0.083 0.000 2.034 89 K HA -0.248 4.072 4.320 -0.001 0.000 0.214 89 K C 0.801 177.449 176.600 0.080 0.000 1.051 89 K CA 2.026 58.372 56.287 0.098 0.000 0.931 89 K CB 0.103 32.656 32.500 0.088 0.000 0.715 89 K HN 0.144 nan 8.250 nan 0.000 0.446 90 D N 0.195 120.629 120.400 0.058 0.000 2.097 90 D HA -0.166 4.474 4.640 -0.001 0.000 0.197 90 D C 1.906 178.226 176.300 0.033 0.000 0.984 90 D CA 1.044 55.071 54.000 0.044 0.000 0.826 90 D CB -0.166 40.654 40.800 0.035 0.000 0.973 90 D HN 0.437 nan 8.370 nan 0.000 0.460 91 E N 0.700 120.916 120.200 0.026 0.000 2.033 91 E HA -0.175 4.175 4.350 -0.001 0.000 0.199 91 E C 2.359 178.961 176.600 0.004 0.000 1.011 91 E CA 0.855 57.261 56.400 0.010 0.000 0.815 91 E CB -0.152 29.551 29.700 0.004 0.000 0.755 91 E HN 0.173 nan 8.360 nan 0.000 0.451 92 L N 0.147 121.379 121.223 0.016 0.000 2.131 92 L HA -0.088 4.251 4.340 -0.001 0.000 0.210 92 L C 2.559 179.444 176.870 0.024 0.000 1.092 92 L CA 0.932 55.772 54.840 -0.001 0.000 0.759 92 L CB -0.606 41.474 42.059 0.035 0.000 0.903 92 L HN 0.326 nan 8.230 nan 0.000 0.435 93 G N 1.405 110.237 108.800 0.053 0.000 2.459 93 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.217 93 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.217 93 G C 1.600 176.516 174.900 0.026 0.000 1.183 93 G CA 1.115 46.249 45.100 0.056 0.000 0.776 93 G HN 0.525 nan 8.290 nan 0.000 0.552 94 K N -0.251 120.157 120.400 0.013 0.000 2.097 94 K HA 0.069 4.389 4.320 -0.001 0.000 0.206 94 K C 2.295 178.886 176.600 -0.015 0.000 1.049 94 K CA 0.975 57.261 56.287 -0.001 0.000 0.933 94 K CB -0.454 32.045 32.500 -0.003 0.000 0.717 94 K HN 0.176 nan 8.250 nan 0.000 0.442 95 L N 2.067 123.276 121.223 -0.024 0.000 2.012 95 L HA -0.152 4.187 4.340 -0.001 0.000 0.210 95 L C 2.557 179.401 176.870 -0.043 0.000 1.073 95 L CA 1.881 56.695 54.840 -0.043 0.000 0.748 95 L CB -0.961 41.059 42.059 -0.065 0.000 0.891 95 L HN 0.330 nan 8.230 nan 0.000 0.431 96 E N -1.329 118.852 120.200 -0.031 0.000 2.077 96 E HA -0.195 4.155 4.350 -0.001 0.000 0.193 96 E C 2.482 179.071 176.600 -0.020 0.000 0.989 96 E CA 1.474 57.865 56.400 -0.015 0.000 0.800 96 E CB -0.192 29.525 29.700 0.028 0.000 0.746 96 E HN 0.333 nan 8.360 nan 0.000 0.452 97 S N -0.731 114.958 115.700 -0.019 0.000 2.356 97 S HA -0.115 4.355 4.470 -0.001 0.000 0.223 97 S C 1.908 176.485 174.600 -0.038 0.000 1.032 97 S CA 1.322 59.504 58.200 -0.029 0.000 1.005 97 S CB -0.328 62.861 63.200 -0.017 0.000 0.867 97 S HN 0.342 nan 8.310 nan 0.000 0.449 98 I N 1.221 121.770 120.570 -0.035 0.000 2.226 98 I HA -0.152 4.017 4.170 -0.001 0.000 0.245 98 I C 2.375 178.463 176.117 -0.048 0.000 1.100 98 I CA 1.468 62.743 61.300 -0.042 0.000 1.374 98 I CB -0.381 37.596 38.000 -0.039 0.000 1.057 98 I HN 0.287 nan 8.210 nan 0.000 0.413 99 D N 0.401 120.776 120.400 -0.042 0.000 2.097 99 D HA -0.171 4.468 4.640 -0.001 0.000 0.195 99 D C 2.142 178.420 176.300 -0.036 0.000 0.989 99 D CA 1.780 55.758 54.000 -0.037 0.000 0.827 99 D CB 0.071 40.854 40.800 -0.029 0.000 0.966 99 D HN 0.540 nan 8.370 nan 0.000 0.456 100 C N -3.350 115.933 119.300 -0.029 0.000 3.188 100 C HA 0.724 5.183 4.460 -0.001 0.000 0.315 100 C C 1.845 176.802 174.990 -0.056 0.000 1.285 100 C CA 0.518 59.527 59.018 -0.015 0.000 1.729 100 C CB 0.422 28.191 27.740 0.050 0.000 2.257 100 C HN 0.393 nan 8.230 nan 0.000 0.645 101 G N 1.678 110.432 108.800 -0.077 0.000 2.179 101 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.220 101 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.220 101 G C -0.035 174.800 174.900 -0.109 0.000 0.990 101 G CA 0.170 45.206 45.100 -0.106 0.000 0.646 101 G HN 0.974 nan 8.290 nan 0.000 0.517 102 K N 0.842 121.170 120.400 -0.120 0.000 2.270 102 K HA 0.576 4.895 4.320 -0.001 0.000 0.276 102 K C -2.568 173.965 176.600 -0.111 0.000 1.023 102 K CA -1.654 54.534 56.287 -0.165 0.000 0.955 102 K CB 0.943 33.289 32.500 -0.256 0.000 0.975 102 K HN 0.015 nan 8.250 nan 0.000 0.471 103 P HA -0.156 nan 4.420 nan 0.000 0.264 103 P C 0.505 177.789 177.300 -0.026 0.000 1.179 103 P CA -0.112 62.964 63.100 -0.041 0.000 0.763 103 P CB 0.344 32.026 31.700 -0.029 0.000 0.806 104 L N 4.192 125.416 121.223 0.003 0.000 2.042 104 L HA -0.208 4.132 4.340 -0.001 0.000 0.210 104 L C 1.900 178.792 176.870 0.036 0.000 1.076 104 L CA 1.969 56.818 54.840 0.016 0.000 0.749 104 L CB -0.912 41.160 42.059 0.020 0.000 0.893 104 L HN 0.396 nan 8.230 nan 0.000 0.432 105 E N -0.714 119.516 120.200 0.050 0.000 2.204 105 E HA -0.223 4.127 4.350 -0.001 0.000 0.195 105 E C 1.960 178.625 176.600 0.109 0.000 0.990 105 E CA 1.283 57.731 56.400 0.080 0.000 0.821 105 E CB -0.079 29.677 29.700 0.093 0.000 0.750 105 E HN 0.666 nan 8.360 nan 0.000 0.477 106 E N 0.660 120.907 120.200 0.079 0.000 2.072 106 E HA -0.121 4.228 4.350 -0.001 0.000 0.190 106 E C 2.145 178.788 176.600 0.072 0.000 0.982 106 E CA 0.800 57.246 56.400 0.077 0.000 0.803 106 E CB -0.077 29.523 29.700 -0.166 0.000 0.755 106 E HN 0.195 nan 8.360 nan 0.000 0.453 107 A N 1.301 124.139 122.820 0.031 0.000 1.972 107 A HA -0.129 4.191 4.320 -0.001 0.000 0.219 107 A C 2.181 179.822 177.584 0.095 0.000 1.169 107 A CA 0.952 53.021 52.037 0.053 0.000 0.635 107 A CB -0.529 18.487 19.000 0.027 0.000 0.810 107 A HN 0.116 nan 8.150 nan 0.000 0.446 108 L N -1.033 120.243 121.223 0.090 0.000 2.156 108 L HA -0.124 4.216 4.340 -0.001 0.000 0.208 108 L C 3.034 179.970 176.870 0.111 0.000 1.095 108 L CA 0.839 55.737 54.840 0.097 0.000 0.770 108 L CB -0.473 41.635 42.059 0.081 0.000 0.914 108 L HN 0.429 nan 8.230 nan 0.000 0.439 109 A N -0.090 122.807 122.820 0.128 0.000 1.898 109 A HA -0.218 4.102 4.320 -0.001 0.000 0.216 109 A C 1.875 179.542 177.584 0.138 0.000 1.181 109 A CA 1.840 53.962 52.037 0.141 0.000 0.620 109 A CB -0.475 18.640 19.000 0.191 0.000 0.819 109 A HN 0.299 nan 8.150 nan 0.000 0.442 110 D N -0.227 120.266 120.400 0.154 0.000 2.123 110 D HA -0.126 4.513 4.640 -0.001 0.000 0.196 110 D C 1.770 178.139 176.300 0.116 0.000 0.992 110 D CA 1.038 55.124 54.000 0.145 0.000 0.833 110 D CB -0.247 40.658 40.800 0.175 0.000 0.954 110 D HN 0.391 nan 8.370 nan 0.000 0.455 111 L N 0.404 121.710 121.223 0.138 0.000 2.156 111 L HA -0.123 4.217 4.340 -0.001 0.000 0.208 111 L C 1.426 178.363 176.870 0.111 0.000 1.095 111 L CA 1.185 56.114 54.840 0.149 0.000 0.770 111 L CB -0.170 42.002 42.059 0.189 0.000 0.914 111 L HN 0.051 nan 8.230 nan 0.000 0.439 112 D N -2.383 118.078 120.400 0.103 0.000 2.347 112 D HA -0.137 4.502 4.640 -0.001 0.000 0.213 112 D C 1.349 177.701 176.300 0.087 0.000 0.985 112 D CA 0.402 54.459 54.000 0.094 0.000 0.879 112 D CB -0.243 40.610 40.800 0.088 0.000 0.919 112 D HN 0.181 nan 8.370 nan 0.000 0.526 113 D N 0.392 120.840 120.400 0.080 0.000 2.162 113 D HA -0.060 4.579 4.640 -0.001 0.000 0.203 113 D C 2.240 178.582 176.300 0.069 0.000 0.967 113 D CA 0.458 54.504 54.000 0.075 0.000 0.840 113 D CB -0.004 40.841 40.800 0.075 0.000 0.972 113 D HN 0.115 nan 8.370 nan 0.000 0.482 114 V N 1.016 120.942 119.914 0.019 0.000 2.287 114 V HA -0.222 3.897 4.120 -0.001 0.000 0.248 114 V C 2.674 178.838 176.094 0.116 0.000 1.053 114 V CA 1.141 63.405 62.300 -0.060 0.000 1.027 114 V CB -0.441 31.177 31.823 -0.342 0.000 0.646 114 V HN 0.049 nan 8.190 nan 0.000 0.447 115 V N 0.189 120.186 119.914 0.139 0.000 2.295 115 V HA -0.242 3.877 4.120 -0.001 0.000 0.246 115 V C 2.677 178.890 176.094 0.199 0.000 1.049 115 V CA 2.028 64.444 62.300 0.195 0.000 1.024 115 V CB -1.122 30.781 31.823 0.135 0.000 0.648 115 V HN 0.567 nan 8.190 nan 0.000 0.447 116 A N -1.401 121.505 122.820 0.143 0.000 2.019 116 A HA -0.268 4.051 4.320 -0.001 0.000 0.219 116 A C 2.369 180.043 177.584 0.151 0.000 1.164 116 A CA 1.955 54.071 52.037 0.132 0.000 0.644 116 A CB -1.009 18.047 19.000 0.094 0.000 0.805 116 A HN 0.612 nan 8.150 nan 0.000 0.449 117 C N -1.825 117.558 119.300 0.138 0.000 2.466 117 C HA 0.022 4.481 4.460 -0.001 0.000 0.278 117 C C 2.371 177.492 174.990 0.218 0.000 1.288 117 C CA 0.927 60.029 59.018 0.139 0.000 1.722 117 C CB -1.489 26.296 27.740 0.075 0.000 2.017 117 C HN 0.594 nan 8.230 nan 0.000 0.488 118 F N 1.470 121.543 119.950 0.204 0.000 2.134 118 F HA -0.062 4.465 4.527 -0.001 0.000 0.299 118 F C 2.413 178.321 175.800 0.180 0.000 1.097 118 F CA 2.119 60.236 58.000 0.195 0.000 1.264 118 F CB -0.626 38.445 39.000 0.119 0.000 1.001 118 F HN 0.338 nan 8.300 nan 0.000 0.479 119 E N -1.350 119.047 120.200 0.329 0.000 2.106 119 E HA -0.268 4.082 4.350 -0.001 0.000 0.192 119 E C 1.956 178.651 176.600 0.158 0.000 0.984 119 E CA 1.363 57.888 56.400 0.209 0.000 0.806 119 E CB -0.425 29.374 29.700 0.165 0.000 0.750 119 E HN 0.510 nan 8.360 nan 0.000 0.458 120 Y N -0.113 120.202 120.300 0.025 0.000 2.181 120 Y HA -0.260 4.290 4.550 -0.001 0.000 0.288 120 Y C 1.578 177.375 175.900 -0.171 0.000 1.146 120 Y CA 1.587 59.615 58.100 -0.121 0.000 1.164 120 Y CB -0.243 38.065 38.460 -0.254 0.000 0.982 120 Y HN 0.057 nan 8.280 nan 0.000 0.515 121 Y N -0.568 119.747 120.300 0.025 0.000 2.457 121 Y HA 0.025 4.574 4.550 -0.001 0.000 0.292 121 Y C 2.500 178.379 175.900 -0.036 0.000 1.125 121 Y CA 0.454 58.518 58.100 -0.060 0.000 1.254 121 Y CB -0.369 38.126 38.460 0.058 0.000 1.012 121 Y HN 0.251 nan 8.280 nan 0.000 0.555 122 A N 0.266 123.177 122.820 0.152 0.000 1.877 122 A HA -0.132 4.187 4.320 -0.001 0.000 0.216 122 A C 2.529 180.110 177.584 -0.004 0.000 1.186 122 A CA 1.782 53.879 52.037 0.099 0.000 0.620 122 A CB -1.435 17.638 19.000 0.123 0.000 0.822 122 A HN 0.459 nan 8.150 nan 0.000 0.443 123 G N -0.240 108.514 108.800 -0.077 0.000 2.459 123 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.217 123 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.217 123 G C 1.383 176.182 174.900 -0.168 0.000 1.183 123 G CA 1.256 46.277 45.100 -0.132 0.000 0.776 123 G HN 0.353 nan 8.290 nan 0.000 0.552 124 L N 1.284 122.349 121.223 -0.264 0.000 2.131 124 L HA 0.082 4.421 4.340 -0.001 0.000 0.210 124 L C 3.210 180.035 176.870 -0.075 0.000 1.092 124 L CA 1.573 56.294 54.840 -0.198 0.000 0.759 124 L CB -0.743 41.173 42.059 -0.237 0.000 0.903 124 L HN 0.302 nan 8.230 nan 0.000 0.435 125 A N -1.006 121.793 122.820 -0.034 0.000 1.873 125 A HA -0.201 4.118 4.320 -0.001 0.000 0.215 125 A C 2.226 179.781 177.584 -0.049 0.000 1.186 125 A CA 1.451 53.472 52.037 -0.027 0.000 0.616 125 A CB -0.476 18.521 19.000 -0.005 0.000 0.823 125 A HN 0.458 nan 8.150 nan 0.000 0.442 126 E N -0.267 119.904 120.200 -0.048 0.000 2.130 126 E HA -0.222 4.127 4.350 -0.001 0.000 0.196 126 E C 1.821 178.388 176.600 -0.055 0.000 0.998 126 E CA 1.525 57.895 56.400 -0.050 0.000 0.806 126 E CB -0.138 29.535 29.700 -0.044 0.000 0.738 126 E HN 0.745 nan 8.360 nan 0.000 0.459 127 E N 0.032 120.194 120.200 -0.064 0.000 2.371 127 E HA -0.087 4.262 4.350 -0.001 0.000 0.194 127 E C 1.807 178.372 176.600 -0.059 0.000 1.012 127 E CA -0.057 56.305 56.400 -0.064 0.000 0.860 127 E CB 0.157 29.811 29.700 -0.077 0.000 0.811 127 E HN 0.090 nan 8.360 nan 0.000 0.502 128 L N 1.462 122.651 121.223 -0.057 0.000 2.141 128 L HA -0.157 4.182 4.340 -0.001 0.000 0.209 128 L C 1.266 178.105 176.870 -0.051 0.000 1.094 128 L CA 1.744 56.554 54.840 -0.050 0.000 0.763 128 L CB -0.133 41.899 42.059 -0.045 0.000 0.908 128 L HN -0.044 nan 8.230 nan 0.000 0.437 129 D N -0.865 119.502 120.400 -0.054 0.000 2.144 129 D HA -0.158 4.481 4.640 -0.001 0.000 0.199 129 D C 2.316 178.583 176.300 -0.055 0.000 0.984 129 D CA 1.566 55.533 54.000 -0.054 0.000 0.834 129 D CB -0.214 40.553 40.800 -0.054 0.000 0.955 129 D HN 0.539 nan 8.370 nan 0.000 0.465 130 S N -0.423 115.245 115.700 -0.054 0.000 2.561 130 S HA 0.031 4.501 4.470 -0.001 0.000 0.225 130 S C 1.437 176.004 174.600 -0.055 0.000 0.977 130 S CA 0.233 58.401 58.200 -0.054 0.000 0.926 130 S CB 0.004 63.174 63.200 -0.049 0.000 0.769 130 S HN 0.165 nan 8.310 nan 0.000 0.533 131 K N 0.525 120.894 120.400 -0.052 0.000 2.393 131 K HA 0.180 4.500 4.320 -0.001 0.000 0.193 131 K C 0.269 176.843 176.600 -0.044 0.000 1.026 131 K CA 0.073 56.331 56.287 -0.048 0.000 1.064 131 K CB 0.145 32.616 32.500 -0.047 0.000 0.833 131 K HN 0.420 nan 8.250 nan 0.000 0.521 132 Q N 1.092 120.861 119.800 -0.052 0.000 2.340 132 Q HA 0.076 4.416 4.340 -0.001 0.000 0.249 132 Q C -0.204 175.732 176.000 -0.105 0.000 0.957 132 Q CA 0.308 56.079 55.803 -0.053 0.000 0.882 132 Q CB 0.979 29.685 28.738 -0.053 0.000 1.235 132 Q HN 0.056 nan 8.270 nan 0.000 0.439 133 K N -0.949 119.379 120.400 -0.120 0.000 3.129 133 K HA -0.198 4.121 4.320 -0.001 0.000 0.273 133 K C -0.521 175.978 176.600 -0.168 0.000 1.123 133 K CA 0.554 56.621 56.287 -0.368 0.000 0.800 133 K CB -1.706 30.380 32.500 -0.690 0.000 1.238 133 K HN 0.729 nan 8.250 nan 0.000 0.492 134 A N 1.711 124.522 122.820 -0.015 0.000 2.484 134 A HA 0.280 4.600 4.320 -0.001 0.000 0.268 134 A C -1.708 175.924 177.584 0.079 0.000 1.114 134 A CA -0.901 51.143 52.037 0.011 0.000 0.780 134 A CB -0.082 18.922 19.000 0.007 0.000 1.061 134 A HN 0.060 nan 8.150 nan 0.000 0.505 135 P HA 0.337 nan 4.420 nan 0.000 0.275 135 P C -0.627 176.717 177.300 0.075 0.000 1.227 135 P CA -0.026 63.138 63.100 0.107 0.000 0.781 135 P CB 0.816 32.558 31.700 0.069 0.000 0.906 136 I N -0.770 119.847 120.570 0.078 0.000 2.441 136 I HA 0.531 4.701 4.170 -0.001 0.000 0.295 136 I C 0.104 176.246 176.117 0.043 0.000 0.994 136 I CA -0.810 60.516 61.300 0.044 0.000 1.144 136 I CB 1.901 39.917 38.000 0.026 0.000 1.314 136 I HN 0.163 nan 8.210 nan 0.000 0.445 137 S N 5.968 121.687 115.700 0.031 0.000 2.528 137 S HA 0.624 5.093 4.470 -0.001 0.000 0.277 137 S C -0.494 174.125 174.600 0.031 0.000 1.297 137 S CA -0.335 57.885 58.200 0.033 0.000 1.052 137 S CB 0.327 63.541 63.200 0.025 0.000 0.917 137 S HN 0.558 nan 8.310 nan 0.000 0.492 138 L N 5.720 126.970 121.223 0.044 0.000 2.342 138 L HA 0.624 4.963 4.340 -0.001 0.000 0.271 138 L C -1.826 175.077 176.870 0.054 0.000 1.008 138 L CA -1.769 53.100 54.840 0.048 0.000 0.818 138 L CB 1.472 43.577 42.059 0.077 0.000 1.296 138 L HN 0.582 nan 8.230 nan 0.000 0.427 139 P HA 0.226 nan 4.420 nan 0.000 0.221 139 P C -0.122 177.222 177.300 0.073 0.000 1.854 139 P CA -0.036 63.094 63.100 0.050 0.000 0.985 139 P CB 0.412 32.132 31.700 0.032 0.000 1.711 140 M N -1.490 118.173 119.600 0.105 0.000 1.744 140 M HA 0.096 4.575 4.480 -0.001 0.000 0.255 140 M C 0.403 176.780 176.300 0.128 0.000 1.044 140 M CA 1.350 56.733 55.300 0.137 0.000 1.003 140 M CB -0.032 32.700 32.600 0.220 0.000 1.880 140 M HN 0.066 nan 8.290 nan 0.000 0.673 141 D N 1.709 122.186 120.400 0.129 0.000 2.653 141 D HA -0.241 4.398 4.640 -0.001 0.000 0.184 141 D C 0.630 176.958 176.300 0.047 0.000 0.993 141 D CA 2.271 56.320 54.000 0.081 0.000 1.027 141 D CB -1.942 38.885 40.800 0.046 0.000 1.089 141 D HN 0.617 nan 8.370 nan 0.000 0.447 142 T N -2.167 112.436 114.554 0.081 0.000 3.072 142 T HA 0.301 4.651 4.350 -0.001 0.000 0.266 142 T C 0.833 175.364 174.700 -0.281 0.000 1.127 142 T CA 0.486 62.531 62.100 -0.092 0.000 1.107 142 T CB -0.313 68.562 68.868 0.012 0.000 0.910 142 T HN 0.295 nan 8.240 nan 0.000 0.513 143 F N 0.398 120.400 119.950 0.086 0.000 2.577 143 F HA 0.666 5.193 4.527 -0.001 0.000 0.318 143 F C 0.013 175.836 175.800 0.039 0.000 1.065 143 F CA -1.357 56.693 58.000 0.082 0.000 0.929 143 F CB 2.252 41.309 39.000 0.095 0.000 1.237 143 F HN -0.246 nan 8.300 nan 0.000 0.468 144 K N 1.444 121.975 120.400 0.219 0.000 2.443 144 K HA 0.651 4.971 4.320 -0.001 0.000 0.252 144 K C -1.499 175.155 176.600 0.091 0.000 0.933 144 K CA -0.400 55.968 56.287 0.134 0.000 0.792 144 K CB 2.138 34.698 32.500 0.101 0.000 1.185 144 K HN 0.661 nan 8.250 nan 0.000 0.425 145 S N 2.969 118.710 115.700 0.068 0.000 2.541 145 S HA 0.720 5.190 4.470 -0.001 0.000 0.280 145 S C -1.752 172.881 174.600 0.055 0.000 1.112 145 S CA -0.593 57.592 58.200 -0.025 0.000 0.925 145 S CB 0.670 63.856 63.200 -0.023 0.000 1.067 145 S HN 0.547 nan 8.310 nan 0.000 0.479 146 Y N 1.698 122.007 120.300 0.014 0.000 2.655 146 Y HA 0.770 5.320 4.550 -0.001 0.000 0.336 146 Y C -1.023 174.875 175.900 -0.003 0.000 1.154 146 Y CA -1.605 56.497 58.100 0.004 0.000 1.055 146 Y CB 0.450 38.911 38.460 0.003 0.000 1.295 146 Y HN 0.691 nan 8.280 nan 0.000 0.465 147 I N 0.612 121.356 120.570 0.290 0.000 2.562 147 I HA 0.766 4.936 4.170 -0.001 0.000 0.301 147 I C -1.454 174.789 176.117 0.210 0.000 1.003 147 I CA -1.117 60.282 61.300 0.165 0.000 1.127 147 I CB 2.072 40.115 38.000 0.072 0.000 1.304 147 I HN 0.593 nan 8.210 nan 0.000 0.446 148 L N 4.749 126.054 121.223 0.137 0.000 2.365 148 L HA 0.568 4.908 4.340 -0.001 0.000 0.273 148 L C -0.594 176.306 176.870 0.049 0.000 1.000 148 L CA -0.963 53.937 54.840 0.100 0.000 0.819 148 L CB 1.867 43.993 42.059 0.112 0.000 1.284 148 L HN 0.552 nan 8.230 nan 0.000 0.418 149 K N 3.391 123.808 120.400 0.029 0.000 2.316 149 K HA 0.490 4.809 4.320 -0.001 0.000 0.267 149 K C -0.799 175.812 176.600 0.018 0.000 1.025 149 K CA -0.333 55.965 56.287 0.018 0.000 0.896 149 K CB 1.822 34.325 32.500 0.004 0.000 1.124 149 K HN 0.553 nan 8.250 nan 0.000 0.451 150 E N 3.188 123.403 120.200 0.026 0.000 2.244 150 E HA 0.361 4.710 4.350 -0.001 0.000 0.266 150 E C -2.419 174.207 176.600 0.043 0.000 0.914 150 E CA -2.292 54.125 56.400 0.029 0.000 0.794 150 E CB 1.812 31.531 29.700 0.031 0.000 1.210 150 E HN 0.243 nan 8.360 nan 0.000 0.414 151 P HA -0.019 nan 4.420 nan 0.000 0.268 151 P C 0.422 177.775 177.300 0.087 0.000 1.205 151 P CA 0.092 63.239 63.100 0.078 0.000 0.771 151 P CB 0.826 32.573 31.700 0.079 0.000 0.858 152 I N 1.328 121.967 120.570 0.115 0.000 2.546 152 I HA 0.018 4.187 4.170 -0.001 0.000 0.255 152 I C 1.221 177.396 176.117 0.097 0.000 1.163 152 I CA 2.172 63.535 61.300 0.104 0.000 1.457 152 I CB -0.657 37.415 38.000 0.120 0.000 1.092 152 I HN 0.789 nan 8.210 nan 0.000 0.434 153 G N -0.722 108.143 108.800 0.108 0.000 2.436 153 G HA2 -0.143 3.817 3.960 -0.001 0.000 0.205 153 G HA3 -0.143 3.817 3.960 -0.001 0.000 0.205 153 G C -0.657 174.296 174.900 0.089 0.000 1.188 153 G CA -0.262 44.893 45.100 0.091 0.000 1.267 153 G HN 0.074 nan 8.290 nan 0.000 0.536 154 V N 1.982 121.935 119.914 0.065 0.000 2.461 154 V HA 0.522 4.641 4.120 -0.001 0.000 0.275 154 V C 0.784 176.917 176.094 0.066 0.000 1.047 154 V CA 0.206 62.532 62.300 0.042 0.000 0.955 154 V CB 0.776 32.602 31.823 0.004 0.000 0.988 154 V HN 1.467 nan 8.190 nan 0.000 0.471 155 V N 2.865 122.820 119.914 0.068 0.000 2.495 155 V HA 0.931 5.050 4.120 -0.001 0.000 0.298 155 V C 0.145 176.289 176.094 0.083 0.000 1.031 155 V CA -0.957 61.410 62.300 0.112 0.000 0.871 155 V CB 1.509 33.438 31.823 0.178 0.000 0.988 155 V HN 0.912 nan 8.190 nan 0.000 0.432 156 A N 5.746 128.629 122.820 0.106 0.000 2.269 156 A HA 0.774 5.093 4.320 -0.001 0.000 0.302 156 A C -0.673 176.993 177.584 0.138 0.000 1.266 156 A CA -0.354 51.742 52.037 0.098 0.000 0.894 156 A CB 0.184 19.239 19.000 0.093 0.000 1.147 156 A HN 0.835 nan 8.150 nan 0.000 0.537 157 L N 4.278 125.572 121.223 0.118 0.000 2.295 157 L HA 0.470 4.809 4.340 -0.001 0.000 0.281 157 L C -0.410 176.542 176.870 0.138 0.000 1.018 157 L CA 0.038 54.959 54.840 0.134 0.000 0.841 157 L CB 0.709 42.820 42.059 0.088 0.000 1.218 157 L HN 0.592 nan 8.230 nan 0.000 0.424 158 I N 3.027 123.708 120.570 0.185 0.000 2.382 158 I HA 0.479 4.648 4.170 -0.001 0.000 0.286 158 I C 0.185 176.379 176.117 0.129 0.000 1.002 158 I CA -0.301 61.129 61.300 0.217 0.000 1.135 158 I CB 1.713 39.932 38.000 0.365 0.000 1.288 158 I HN 0.577 nan 8.210 nan 0.000 0.448 159 T N 3.796 118.393 114.554 0.071 0.000 2.924 159 T HA 0.719 5.069 4.350 -0.001 0.000 0.291 159 T C -2.814 171.861 174.700 -0.041 0.000 1.045 159 T CA -2.103 59.984 62.100 -0.021 0.000 1.015 159 T CB 2.312 71.188 68.868 0.014 0.000 1.103 159 T HN 0.216 nan 8.240 nan 0.000 0.496 160 P HA 0.325 nan 4.420 nan 0.000 0.285 160 P C 0.691 177.920 177.300 -0.119 0.000 1.285 160 P CA -0.988 61.987 63.100 -0.208 0.000 0.854 160 P CB 1.123 32.584 31.700 -0.397 0.000 1.180 161 W N 1.428 122.739 121.300 0.019 0.000 2.905 161 W HA -0.019 4.641 4.660 -0.001 0.000 0.251 161 W C 0.851 177.354 176.519 -0.027 0.000 1.305 161 W CA 0.442 57.791 57.345 0.005 0.000 1.465 161 W CB -1.615 27.849 29.460 0.007 0.000 1.122 161 W HN 0.262 nan 8.180 nan 0.000 0.659 162 N N 1.798 120.306 118.700 -0.320 0.000 2.216 162 N HA -0.212 4.527 4.740 -0.001 0.000 0.183 162 N C -0.245 174.988 175.510 -0.463 0.000 1.017 162 N CA 1.001 53.856 53.050 -0.324 0.000 0.861 162 N CB -1.271 36.920 38.487 -0.494 0.000 0.986 162 N HN 0.220 nan 8.380 nan 0.000 0.428 163 Y N -0.111 120.080 120.300 -0.181 0.000 2.748 163 Y HA 0.435 4.984 4.550 -0.001 0.000 0.359 163 Y C -1.767 174.069 175.900 -0.108 0.000 1.030 163 Y CA -2.185 55.814 58.100 -0.169 0.000 1.169 163 Y CB 2.007 40.277 38.460 -0.318 0.000 1.127 163 Y HN -0.027 nan 8.280 nan 0.000 0.644 164 P HA -0.241 nan 4.420 nan 0.000 0.213 164 P C 1.675 179.088 177.300 0.189 0.000 1.170 164 P CA 1.488 64.659 63.100 0.117 0.000 0.902 164 P CB 0.214 31.979 31.700 0.109 0.000 0.789 165 F N -0.371 119.590 119.950 0.018 0.000 2.128 165 F HA -0.046 4.480 4.527 -0.001 0.000 0.295 165 F C 2.100 177.896 175.800 -0.006 0.000 1.100 165 F CA 0.708 58.728 58.000 0.032 0.000 1.260 165 F CB -1.363 37.672 39.000 0.057 0.000 1.009 165 F HN -0.248 nan 8.300 nan 0.000 0.476 166 L N -0.041 121.192 121.223 0.017 0.000 2.017 166 L HA -0.207 4.133 4.340 -0.001 0.000 0.208 166 L C 2.191 178.763 176.870 -0.497 0.000 1.073 166 L CA 1.740 56.428 54.840 -0.255 0.000 0.745 166 L CB -0.873 41.013 42.059 -0.288 0.000 0.894 166 L HN 0.027 nan 8.230 nan 0.000 0.432 167 M N -0.829 118.497 119.600 -0.456 0.000 2.159 167 M HA -0.098 4.381 4.480 -0.001 0.000 0.263 167 M C 2.380 178.601 176.300 -0.132 0.000 1.063 167 M CA 1.649 56.681 55.300 -0.447 0.000 1.110 167 M CB -1.683 30.731 32.600 -0.310 0.000 1.374 167 M HN 0.408 nan 8.290 nan 0.000 0.411 168 A N -0.383 122.418 122.820 -0.032 0.000 1.877 168 A HA -0.143 4.176 4.320 -0.001 0.000 0.216 168 A C 2.319 179.915 177.584 0.021 0.000 1.186 168 A CA 2.286 54.355 52.037 0.054 0.000 0.620 168 A CB -1.127 17.970 19.000 0.161 0.000 0.822 168 A HN 0.469 nan 8.150 nan 0.000 0.443 169 T N -1.467 113.056 114.554 -0.052 0.000 2.746 169 T HA -0.182 4.167 4.350 -0.001 0.000 0.267 169 T C 1.463 176.119 174.700 -0.073 0.000 1.039 169 T CA 1.365 63.348 62.100 -0.195 0.000 1.142 169 T CB -0.371 68.299 68.868 -0.331 0.000 0.866 169 T HN 0.663 nan 8.240 nan 0.000 0.444 170 W N 2.134 123.316 121.300 -0.197 0.000 2.341 170 W HA -0.009 4.651 4.660 -0.001 0.000 0.283 170 W C 2.172 178.623 176.519 -0.112 0.000 1.215 170 W CA 0.475 57.741 57.345 -0.132 0.000 1.211 170 W CB -0.349 29.038 29.460 -0.120 0.000 1.131 170 W HN 0.343 nan 8.180 nan 0.000 0.552 171 K N -1.308 119.159 120.400 0.113 0.000 2.262 171 K HA 0.091 4.411 4.320 -0.001 0.000 0.200 171 K C 1.922 178.401 176.600 -0.202 0.000 1.058 171 K CA 0.554 56.867 56.287 0.044 0.000 0.974 171 K CB -0.329 32.243 32.500 0.119 0.000 0.910 171 K HN 0.002 nan 8.250 nan 0.000 0.484 172 I N 1.756 122.239 120.570 -0.145 0.000 2.142 172 I HA -0.284 3.885 4.170 -0.001 0.000 0.240 172 I C 2.556 178.559 176.117 -0.189 0.000 1.078 172 I CA 1.298 62.519 61.300 -0.132 0.000 1.343 172 I CB -0.383 37.634 38.000 0.028 0.000 1.046 172 I HN 0.129 nan 8.210 nan 0.000 0.405 173 A N 1.611 124.230 122.820 -0.334 0.000 1.859 173 A HA -0.162 4.157 4.320 -0.001 0.000 0.217 173 A C 0.134 177.492 177.584 -0.377 0.000 1.198 173 A CA 2.252 54.089 52.037 -0.333 0.000 0.629 173 A CB -2.169 16.545 19.000 -0.477 0.000 0.830 173 A HN 0.305 nan 8.150 nan 0.000 0.446 174 P HA -0.093 nan 4.420 nan 0.000 0.217 174 P C 1.612 178.730 177.300 -0.303 0.000 1.151 174 P CA 1.907 64.602 63.100 -0.675 0.000 0.828 174 P CB -0.205 31.110 31.700 -0.642 0.000 0.788 175 A N 0.567 123.023 122.820 -0.607 0.000 1.883 175 A HA -0.145 4.175 4.320 -0.001 0.000 0.217 175 A C 2.475 179.991 177.584 -0.113 0.000 1.186 175 A CA 1.488 53.148 52.037 -0.627 0.000 0.624 175 A CB -1.580 16.846 19.000 -0.957 0.000 0.822 175 A HN 0.101 nan 8.150 nan 0.000 0.444 176 L N -0.987 120.239 121.223 0.005 0.000 2.027 176 L HA -0.175 4.164 4.340 -0.001 0.000 0.206 176 L C 3.141 180.163 176.870 0.253 0.000 1.074 176 L CA 1.160 56.193 54.840 0.322 0.000 0.745 176 L CB -0.862 41.443 42.059 0.410 0.000 0.898 176 L HN 0.461 nan 8.230 nan 0.000 0.433 177 A N 0.373 123.265 122.820 0.119 0.000 1.948 177 A HA -0.219 4.101 4.320 -0.001 0.000 0.220 177 A C 2.483 180.068 177.584 0.001 0.000 1.177 177 A CA 1.927 54.002 52.037 0.062 0.000 0.636 177 A CB -0.611 18.455 19.000 0.111 0.000 0.815 177 A HN 0.435 nan 8.150 nan 0.000 0.449 178 A N -2.154 120.684 122.820 0.030 0.000 2.014 178 A HA 0.352 4.672 4.320 -0.001 0.000 0.218 178 A C 1.915 179.497 177.584 -0.002 0.000 1.163 178 A CA 1.619 53.680 52.037 0.040 0.000 0.652 178 A CB -0.754 18.318 19.000 0.120 0.000 0.808 178 A HN 1.979 nan 8.150 nan 0.000 0.449 179 G N -2.697 106.100 108.800 -0.005 0.000 2.143 179 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.175 179 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.175 179 G C 0.079 175.111 174.900 0.219 0.000 1.004 179 G CA -0.187 44.870 45.100 -0.072 0.000 0.671 179 G HN 0.575 nan 8.290 nan 0.000 0.512 180 C N 0.707 120.170 119.300 0.272 0.000 2.422 180 C HA 0.846 5.305 4.460 -0.001 0.000 0.364 180 C C 1.155 176.291 174.990 0.242 0.000 1.251 180 C CA 0.361 59.513 59.018 0.224 0.000 2.441 180 C CB 1.032 28.846 27.740 0.122 0.000 2.393 180 C HN 1.197 nan 8.230 nan 0.000 0.606 181 A N 1.120 124.001 122.820 0.101 0.000 2.304 181 A HA 0.773 5.093 4.320 -0.001 0.000 0.323 181 A C -0.271 177.294 177.584 -0.031 0.000 1.195 181 A CA -0.219 51.802 52.037 -0.028 0.000 0.826 181 A CB 0.573 19.539 19.000 -0.058 0.000 1.184 181 A HN 1.266 nan 8.150 nan 0.000 0.496 182 A N 2.055 124.837 122.820 -0.063 0.000 2.340 182 A HA 0.771 5.090 4.320 -0.001 0.000 0.331 182 A C -0.834 176.729 177.584 -0.034 0.000 1.140 182 A CA -0.454 51.560 52.037 -0.039 0.000 0.801 182 A CB 0.562 19.534 19.000 -0.046 0.000 1.234 182 A HN 0.711 nan 8.150 nan 0.000 0.469 183 I N 1.979 122.542 120.570 -0.011 0.000 2.354 183 I HA 0.300 4.470 4.170 -0.001 0.000 0.286 183 I C -0.488 175.651 176.117 0.036 0.000 1.007 183 I CA -0.229 61.072 61.300 0.000 0.000 1.167 183 I CB 1.523 39.513 38.000 -0.017 0.000 1.320 183 I HN 0.558 nan 8.210 nan 0.000 0.458 184 L N 7.386 128.640 121.223 0.051 0.000 2.290 184 L HA 0.473 4.812 4.340 -0.001 0.000 0.284 184 L C -0.173 176.746 176.870 0.081 0.000 1.078 184 L CA 0.142 55.026 54.840 0.074 0.000 0.815 184 L CB 0.309 42.421 42.059 0.088 0.000 1.162 184 L HN 0.369 nan 8.230 nan 0.000 0.435 185 K N 7.476 127.931 120.400 0.092 0.000 2.540 185 K HA 0.467 4.787 4.320 -0.001 0.000 0.218 185 K C -2.727 173.938 176.600 0.108 0.000 1.017 185 K CA -2.150 54.194 56.287 0.095 0.000 1.029 185 K CB 0.966 33.524 32.500 0.096 0.000 1.348 185 K HN 0.360 nan 8.250 nan 0.000 0.508 186 P HA 0.054 nan 4.420 nan 0.000 0.274 186 P C -0.150 177.223 177.300 0.121 0.000 1.256 186 P CA -0.388 62.776 63.100 0.108 0.000 0.795 186 P CB 0.671 32.432 31.700 0.102 0.000 1.038 187 S N 0.420 116.208 115.700 0.147 0.000 2.549 187 S HA -0.010 4.459 4.470 -0.001 0.000 0.283 187 S C 1.543 176.229 174.600 0.143 0.000 1.320 187 S CA -0.403 57.912 58.200 0.192 0.000 1.058 187 S CB -0.164 63.238 63.200 0.336 0.000 0.882 187 S HN 0.463 nan 8.310 nan 0.000 0.498 188 E N 4.964 125.231 120.200 0.112 0.000 2.331 188 E HA -0.174 4.176 4.350 -0.001 0.000 0.199 188 E C 1.570 178.188 176.600 0.030 0.000 1.008 188 E CA 1.048 57.484 56.400 0.061 0.000 0.843 188 E CB -0.392 29.335 29.700 0.044 0.000 0.761 188 E HN 0.782 nan 8.360 nan 0.000 0.507 189 L N 0.195 121.437 121.223 0.031 0.000 2.240 189 L HA 0.107 4.447 4.340 -0.001 0.000 0.211 189 L C 1.169 178.032 176.870 -0.010 0.000 1.106 189 L CA 0.873 55.675 54.840 -0.063 0.000 0.793 189 L CB 0.032 41.923 42.059 -0.280 0.000 0.927 189 L HN 0.097 nan 8.230 nan 0.000 0.446 190 A N -1.418 121.447 122.820 0.076 0.000 2.768 190 A HA 0.506 4.825 4.320 -0.001 0.000 0.298 190 A C 0.173 177.799 177.584 0.069 0.000 1.159 190 A CA -0.350 51.729 52.037 0.070 0.000 0.783 190 A CB 0.857 19.927 19.000 0.117 0.000 1.333 190 A HN -0.007 nan 8.150 nan 0.000 0.412 191 S N 0.313 116.033 115.700 0.035 0.000 2.603 191 S HA 0.038 4.507 4.470 -0.001 0.000 0.232 191 S C 1.866 176.463 174.600 -0.005 0.000 1.016 191 S CA 0.731 58.950 58.200 0.033 0.000 0.976 191 S CB 0.428 63.655 63.200 0.043 0.000 0.921 191 S HN 1.370 nan 8.310 nan 0.000 0.516 192 V N 1.959 121.852 119.914 -0.034 0.000 2.343 192 V HA -0.149 3.970 4.120 -0.001 0.000 0.247 192 V C 2.359 178.377 176.094 -0.127 0.000 1.051 192 V CA 2.327 64.587 62.300 -0.068 0.000 1.036 192 V CB -1.932 29.849 31.823 -0.071 0.000 0.654 192 V HN 0.592 nan 8.190 nan 0.000 0.451 193 T N -2.783 111.652 114.554 -0.198 0.000 2.857 193 T HA -0.167 4.182 4.350 -0.001 0.000 0.266 193 T C 1.963 176.380 174.700 -0.470 0.000 1.048 193 T CA 1.600 63.433 62.100 -0.445 0.000 1.139 193 T CB -1.287 67.177 68.868 -0.674 0.000 0.874 193 T HN 0.563 nan 8.240 nan 0.000 0.455 194 C N 1.014 120.196 119.300 -0.197 0.000 2.429 194 C HA 0.172 4.631 4.460 -0.001 0.000 0.277 194 C C 2.782 177.779 174.990 0.011 0.000 1.262 194 C CA 0.259 59.269 59.018 -0.015 0.000 1.733 194 C CB -1.518 26.269 27.740 0.079 0.000 2.010 194 C HN 0.541 nan 8.230 nan 0.000 0.483 195 L N 0.464 121.697 121.223 0.018 0.000 2.141 195 L HA -0.118 4.221 4.340 -0.001 0.000 0.209 195 L C 2.635 179.575 176.870 0.116 0.000 1.094 195 L CA 1.307 56.213 54.840 0.110 0.000 0.763 195 L CB -0.568 41.551 42.059 0.101 0.000 0.908 195 L HN 0.267 nan 8.230 nan 0.000 0.437 196 E N 0.475 120.659 120.200 -0.027 0.000 2.153 196 E HA -0.236 4.114 4.350 -0.001 0.000 0.194 196 E C 1.963 178.539 176.600 -0.039 0.000 0.988 196 E CA 0.856 57.227 56.400 -0.049 0.000 0.811 196 E CB -0.183 29.426 29.700 -0.151 0.000 0.746 196 E HN 0.244 nan 8.360 nan 0.000 0.466 197 L N -0.354 120.834 121.223 -0.058 0.000 2.191 197 L HA 0.009 4.348 4.340 -0.001 0.000 0.212 197 L C 2.040 178.801 176.870 -0.183 0.000 1.103 197 L CA 2.080 56.918 54.840 -0.004 0.000 0.769 197 L CB -0.845 41.317 42.059 0.173 0.000 0.908 197 L HN 0.224 nan 8.230 nan 0.000 0.438 198 G N -1.133 107.484 108.800 -0.305 0.000 2.442 198 G HA2 -0.339 3.621 3.960 -0.001 0.000 0.219 198 G HA3 -0.339 3.621 3.960 -0.001 0.000 0.219 198 G C 1.491 175.779 174.900 -1.019 0.000 1.141 198 G CA 0.898 45.366 45.100 -1.054 0.000 0.763 198 G HN 0.464 nan 8.290 nan 0.000 0.554 199 E N 0.573 120.680 120.200 -0.154 0.000 2.072 199 E HA 0.004 4.353 4.350 -0.001 0.000 0.190 199 E C 2.408 178.972 176.600 -0.061 0.000 0.982 199 E CA 0.536 56.981 56.400 0.076 0.000 0.803 199 E CB -0.380 29.463 29.700 0.239 0.000 0.755 199 E HN 0.475 nan 8.360 nan 0.000 0.453 200 I N -0.018 120.503 120.570 -0.082 0.000 2.264 200 I HA -0.371 3.798 4.170 -0.001 0.000 0.248 200 I C 2.204 178.268 176.117 -0.088 0.000 1.111 200 I CA 0.805 62.069 61.300 -0.060 0.000 1.382 200 I CB -0.232 37.746 38.000 -0.036 0.000 1.060 200 I HN 0.290 nan 8.210 nan 0.000 0.418 201 C N 0.400 119.591 119.300 -0.182 0.000 2.436 201 C HA -0.199 4.260 4.460 -0.001 0.000 0.277 201 C C 2.819 177.777 174.990 -0.053 0.000 1.241 201 C CA 0.966 59.899 59.018 -0.142 0.000 1.721 201 C CB -0.906 26.704 27.740 -0.217 0.000 2.043 201 C HN 0.434 nan 8.230 nan 0.000 0.472 202 K N 0.733 121.092 120.400 -0.067 0.000 2.032 202 K HA -0.200 4.120 4.320 -0.001 0.000 0.209 202 K C 1.935 178.562 176.600 0.046 0.000 1.048 202 K CA 1.774 58.084 56.287 0.037 0.000 0.927 202 K CB -0.143 32.395 32.500 0.063 0.000 0.712 202 K HN 0.570 nan 8.250 nan 0.000 0.441 203 E N -0.340 119.881 120.200 0.036 0.000 2.077 203 E HA -0.165 4.185 4.350 -0.001 0.000 0.193 203 E C 1.915 178.549 176.600 0.057 0.000 0.989 203 E CA 1.293 57.721 56.400 0.046 0.000 0.800 203 E CB 0.047 29.769 29.700 0.037 0.000 0.746 203 E HN 0.058 nan 8.360 nan 0.000 0.452 204 V N 0.022 119.972 119.914 0.060 0.000 2.759 204 V HA -0.089 4.031 4.120 -0.001 0.000 0.256 204 V C 1.431 177.641 176.094 0.193 0.000 1.080 204 V CA 1.395 63.761 62.300 0.110 0.000 1.101 204 V CB -0.474 31.414 31.823 0.109 0.000 0.698 204 V HN 0.608 nan 8.190 nan 0.000 0.477 205 G N 0.277 109.158 108.800 0.135 0.000 2.165 205 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.226 205 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.226 205 G C -0.159 174.781 174.900 0.067 0.000 1.035 205 G CA 0.157 45.342 45.100 0.142 0.000 0.744 205 G HN 0.411 nan 8.290 nan 0.000 0.501 206 L N 1.434 122.599 121.223 -0.096 0.000 2.513 206 L HA 0.461 4.800 4.340 -0.001 0.000 0.272 206 L C -1.280 175.358 176.870 -0.388 0.000 1.187 206 L CA -1.100 53.472 54.840 -0.447 0.000 0.895 206 L CB 0.085 41.943 42.059 -0.336 0.000 1.147 206 L HN 0.047 nan 8.230 nan 0.000 0.483 207 P HA -0.027 nan 4.420 nan 0.000 0.263 207 P C -1.157 175.953 177.300 -0.316 0.000 1.175 207 P CA 0.112 63.027 63.100 -0.309 0.000 0.761 207 P CB 0.160 31.699 31.700 -0.269 0.000 0.794 208 R N 2.527 122.893 120.500 -0.224 0.000 2.570 208 R HA 0.380 4.719 4.340 -0.001 0.000 0.277 208 R C 1.053 177.194 176.300 -0.264 0.000 1.039 208 R CA 0.077 56.027 56.100 -0.250 0.000 1.065 208 R CB -0.644 29.532 30.300 -0.208 0.000 0.964 208 R HN 0.728 nan 8.270 nan 0.000 0.428 209 G N 1.140 109.757 108.800 -0.305 0.000 2.195 209 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.246 209 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.246 209 G C 0.609 175.345 174.900 -0.273 0.000 0.984 209 G CA 0.161 45.104 45.100 -0.262 0.000 0.633 209 G HN 0.446 nan 8.290 nan 0.000 0.525 210 V N -0.253 119.435 119.914 -0.377 0.000 2.379 210 V HA 0.280 4.400 4.120 -0.001 0.000 0.245 210 V C 1.174 177.069 176.094 -0.332 0.000 1.044 210 V CA 1.971 63.958 62.300 -0.522 0.000 1.036 210 V CB 0.033 31.227 31.823 -1.050 0.000 0.664 210 V HN 0.470 nan 8.190 nan 0.000 0.453 211 L N 1.484 122.574 121.223 -0.221 0.000 2.349 211 L HA 0.532 4.871 4.340 -0.001 0.000 0.278 211 L C -0.782 176.101 176.870 0.022 0.000 0.996 211 L CA -0.089 54.715 54.840 -0.061 0.000 0.825 211 L CB 1.501 43.560 42.059 0.001 0.000 1.243 211 L HN 0.152 nan 8.230 nan 0.000 0.412 212 N N 6.402 125.103 118.700 0.002 0.000 2.314 212 N HA 0.514 5.253 4.740 -0.001 0.000 0.294 212 N C -1.198 174.357 175.510 0.076 0.000 1.029 212 N CA -0.307 52.742 53.050 -0.001 0.000 0.845 212 N CB 2.522 40.952 38.487 -0.094 0.000 1.321 212 N HN 0.492 nan 8.380 nan 0.000 0.481 213 I N 1.744 122.400 120.570 0.144 0.000 2.354 213 I HA 0.277 4.447 4.170 -0.001 0.000 0.286 213 I C -0.440 175.749 176.117 0.119 0.000 1.007 213 I CA -0.765 60.618 61.300 0.139 0.000 1.167 213 I CB 1.751 39.851 38.000 0.166 0.000 1.320 213 I HN 0.049 nan 8.210 nan 0.000 0.458 214 V N 5.498 125.464 119.914 0.088 0.000 2.349 214 V HA 0.308 4.427 4.120 -0.001 0.000 0.284 214 V C 0.289 176.427 176.094 0.073 0.000 1.014 214 V CA -0.475 61.869 62.300 0.073 0.000 0.826 214 V CB 1.841 33.690 31.823 0.044 0.000 1.009 214 V HN 0.837 nan 8.190 nan 0.000 0.431 215 T N 1.797 116.397 114.554 0.078 0.000 2.922 215 T HA 0.917 5.267 4.350 -0.001 0.000 0.285 215 T C 0.256 174.983 174.700 0.045 0.000 1.005 215 T CA 0.114 62.254 62.100 0.067 0.000 1.061 215 T CB 1.986 70.896 68.868 0.070 0.000 1.007 215 T HN 1.305 nan 8.240 nan 0.000 0.502 216 G N 0.813 109.635 108.800 0.036 0.000 2.341 216 G HA2 0.378 4.338 3.960 -0.001 0.000 0.293 216 G HA3 0.378 4.338 3.960 -0.001 0.000 0.293 216 G C -1.738 173.162 174.900 0.001 0.000 1.298 216 G CA -1.210 43.896 45.100 0.010 0.000 0.868 216 G HN 0.787 nan 8.290 nan 0.000 0.540 217 L N 1.866 123.060 121.223 -0.047 0.000 2.490 217 L HA 0.417 4.757 4.340 -0.001 0.000 0.274 217 L C 2.163 178.992 176.870 -0.069 0.000 1.201 217 L CA 1.274 56.071 54.840 -0.071 0.000 0.869 217 L CB 0.688 42.620 42.059 -0.211 0.000 1.123 217 L HN 1.030 nan 8.230 nan 0.000 0.484 218 G N 2.752 111.570 108.800 0.030 0.000 2.476 218 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.218 218 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.218 218 G C 1.331 176.256 174.900 0.042 0.000 1.164 218 G CA 1.126 46.266 45.100 0.067 0.000 0.768 218 G HN 0.925 nan 8.290 nan 0.000 0.560 219 H N -0.032 119.056 119.070 0.031 0.000 2.524 219 H HA 0.219 4.774 4.556 -0.001 0.000 0.282 219 H C 1.734 177.074 175.328 0.020 0.000 1.016 219 H CA 1.240 57.299 56.048 0.019 0.000 1.270 219 H CB 0.058 29.828 29.762 0.015 0.000 1.394 219 H HN 0.479 nan 8.280 nan 0.000 0.568 220 E N 0.836 120.779 120.200 -0.428 0.000 2.062 220 E HA 0.195 4.544 4.350 -0.001 0.000 0.196 220 E C 2.477 179.019 176.600 -0.096 0.000 0.949 220 E CA 0.503 56.747 56.400 -0.260 0.000 0.889 220 E CB 0.070 29.578 29.700 -0.319 0.000 0.928 220 E HN 0.376 nan 8.360 nan 0.000 0.476 221 A N 1.131 123.905 122.820 -0.077 0.000 1.897 221 A HA -0.027 4.292 4.320 -0.001 0.000 0.215 221 A C 2.304 179.896 177.584 0.013 0.000 1.181 221 A CA 1.686 53.715 52.037 -0.015 0.000 0.620 221 A CB -1.125 17.874 19.000 -0.001 0.000 0.821 221 A HN 0.362 nan 8.150 nan 0.000 0.443 222 G N -0.316 108.493 108.800 0.016 0.000 2.421 222 G HA2 -0.012 3.948 3.960 -0.001 0.000 0.216 222 G HA3 -0.012 3.948 3.960 -0.001 0.000 0.216 222 G C 1.745 176.661 174.900 0.027 0.000 1.171 222 G CA 1.483 46.606 45.100 0.040 0.000 0.775 222 G HN 0.787 nan 8.290 nan 0.000 0.543 223 A N 0.437 123.268 122.820 0.018 0.000 1.930 223 A HA 0.076 4.396 4.320 -0.001 0.000 0.217 223 A C 2.680 180.281 177.584 0.028 0.000 1.175 223 A CA 2.124 54.173 52.037 0.019 0.000 0.627 223 A CB -0.529 18.490 19.000 0.032 0.000 0.815 223 A HN 0.303 nan 8.150 nan 0.000 0.443 224 S N -0.612 115.106 115.700 0.031 0.000 2.368 224 S HA -0.124 4.346 4.470 -0.001 0.000 0.225 224 S C 1.858 176.512 174.600 0.090 0.000 1.030 224 S CA 1.431 59.661 58.200 0.051 0.000 0.999 224 S CB -0.359 62.869 63.200 0.046 0.000 0.844 224 S HN 0.478 nan 8.310 nan 0.000 0.459 225 L N 1.967 123.235 121.223 0.075 0.000 2.005 225 L HA 0.058 4.398 4.340 -0.001 0.000 0.207 225 L C 2.402 179.326 176.870 0.091 0.000 1.072 225 L CA 2.047 56.936 54.840 0.082 0.000 0.744 225 L CB -1.279 40.815 42.059 0.059 0.000 0.895 225 L HN 0.244 nan 8.230 nan 0.000 0.433 226 A N -1.082 121.774 122.820 0.061 0.000 1.940 226 A HA -0.207 4.112 4.320 -0.001 0.000 0.219 226 A C 2.323 179.941 177.584 0.056 0.000 1.176 226 A CA 2.089 54.153 52.037 0.046 0.000 0.631 226 A CB -0.969 18.031 19.000 0.000 0.000 0.814 226 A HN 0.660 nan 8.150 nan 0.000 0.446 227 S N -1.663 114.071 115.700 0.058 0.000 2.575 227 S HA 0.042 4.511 4.470 -0.001 0.000 0.215 227 S C 0.738 175.372 174.600 0.056 0.000 0.966 227 S CA -0.295 57.931 58.200 0.043 0.000 0.911 227 S CB -0.501 62.709 63.200 0.017 0.000 0.780 227 S HN 0.590 nan 8.310 nan 0.000 0.514 228 H N 3.671 122.750 119.070 0.014 0.000 3.004 228 H HA 0.169 4.724 4.556 -0.001 0.000 0.316 228 H C -1.984 173.354 175.328 0.017 0.000 1.014 228 H CA -1.062 54.995 56.048 0.014 0.000 1.454 228 H CB 1.295 31.066 29.762 0.014 0.000 1.472 228 H HN 0.102 nan 8.280 nan 0.000 0.571 229 P HA -0.053 nan 4.420 nan 0.000 0.226 229 P C 0.399 177.807 177.300 0.180 0.000 1.153 229 P CA 0.869 64.019 63.100 0.083 0.000 0.777 229 P CB 0.489 32.179 31.700 -0.016 0.000 0.794 230 D N -1.566 119.068 120.400 0.389 0.000 2.349 230 D HA 0.049 4.688 4.640 -0.001 0.000 0.214 230 D C 0.360 176.716 176.300 0.092 0.000 1.063 230 D CA 0.186 54.310 54.000 0.206 0.000 0.847 230 D CB 0.237 41.157 40.800 0.199 0.000 0.933 230 D HN 0.001 nan 8.370 nan 0.000 0.513 231 V N 1.916 121.891 119.914 0.102 0.000 2.614 231 V HA 0.005 4.124 4.120 -0.001 0.000 0.291 231 V C 1.195 177.334 176.094 0.074 0.000 1.049 231 V CA 0.274 62.608 62.300 0.057 0.000 1.038 231 V CB 1.698 33.559 31.823 0.064 0.000 0.980 231 V HN 0.003 nan 8.190 nan 0.000 0.481 232 D N 2.560 123.003 120.400 0.072 0.000 2.338 232 D HA 0.126 4.766 4.640 -0.001 0.000 0.208 232 D C 0.637 176.988 176.300 0.085 0.000 0.997 232 D CA 0.592 54.637 54.000 0.075 0.000 0.880 232 D CB 0.875 41.720 40.800 0.074 0.000 0.980 232 D HN 0.530 nan 8.370 nan 0.000 0.509 233 K N 0.570 121.031 120.400 0.102 0.000 2.543 233 K HA 0.414 4.733 4.320 -0.001 0.000 0.255 233 K C -1.871 174.807 176.600 0.131 0.000 0.934 233 K CA -0.513 55.841 56.287 0.113 0.000 0.810 233 K CB 1.832 34.405 32.500 0.123 0.000 1.315 233 K HN -0.245 nan 8.250 nan 0.000 0.433 234 I N 2.465 123.108 120.570 0.122 0.000 2.339 234 I HA 0.248 4.418 4.170 -0.001 0.000 0.290 234 I C -0.394 175.817 176.117 0.158 0.000 0.994 234 I CA -0.517 60.865 61.300 0.137 0.000 1.191 234 I CB 1.954 40.017 38.000 0.105 0.000 1.343 234 I HN 0.465 nan 8.210 nan 0.000 0.458 235 S N 7.151 122.975 115.700 0.207 0.000 2.438 235 S HA 0.592 5.061 4.470 -0.001 0.000 0.316 235 S C -1.008 173.742 174.600 0.250 0.000 1.084 235 S CA -0.418 57.908 58.200 0.210 0.000 1.107 235 S CB 0.327 63.699 63.200 0.287 0.000 0.981 235 S HN 0.389 nan 8.310 nan 0.000 0.466 236 F N 3.949 123.925 119.950 0.043 0.000 2.540 236 F HA 0.670 5.196 4.527 -0.001 0.000 0.317 236 F C -0.573 175.239 175.800 0.019 0.000 1.104 236 F CA -0.237 57.781 58.000 0.029 0.000 0.913 236 F CB 2.129 41.133 39.000 0.008 0.000 1.170 236 F HN 0.429 nan 8.300 nan 0.000 0.450 237 T N 4.475 118.479 114.554 -0.917 0.000 2.841 237 T HA 0.801 5.150 4.350 -0.001 0.000 0.285 237 T C -0.194 173.748 174.700 -1.264 0.000 0.991 237 T CA -0.243 61.353 62.100 -0.839 0.000 0.966 237 T CB 1.191 69.859 68.868 -0.333 0.000 0.962 237 T HN 1.137 nan 8.240 nan 0.000 0.438 238 G N 1.867 110.068 108.800 -0.999 0.000 2.404 238 G HA2 0.434 4.393 3.960 -0.001 0.000 0.253 238 G HA3 0.434 4.393 3.960 -0.001 0.000 0.253 238 G C -0.589 174.236 174.900 -0.124 0.000 1.253 238 G CA -0.243 44.536 45.100 -0.536 0.000 0.917 238 G HN 0.964 nan 8.290 nan 0.000 0.480 239 S N -0.019 115.747 115.700 0.110 0.000 2.593 239 S HA 0.499 4.969 4.470 -0.001 0.000 0.269 239 S C 1.501 176.219 174.600 0.197 0.000 1.334 239 S CA 0.853 59.105 58.200 0.087 0.000 1.015 239 S CB 1.505 64.748 63.200 0.071 0.000 0.912 239 S HN 1.105 nan 8.310 nan 0.000 0.541 240 S N 2.079 117.869 115.700 0.150 0.000 2.359 240 S HA -0.127 4.342 4.470 -0.001 0.000 0.224 240 S C 2.266 176.937 174.600 0.117 0.000 1.035 240 S CA 1.314 59.614 58.200 0.167 0.000 1.018 240 S CB -1.128 62.194 63.200 0.203 0.000 0.876 240 S HN 0.959 nan 8.310 nan 0.000 0.448 241 A N 1.408 124.282 122.820 0.091 0.000 1.902 241 A HA -0.098 4.221 4.320 -0.001 0.000 0.217 241 A C 2.359 179.954 177.584 0.018 0.000 1.181 241 A CA 1.999 54.066 52.037 0.049 0.000 0.623 241 A CB -1.331 17.694 19.000 0.043 0.000 0.818 241 A HN 0.497 nan 8.150 nan 0.000 0.443 242 T N -0.181 114.390 114.554 0.029 0.000 2.777 242 T HA -0.027 4.323 4.350 -0.001 0.000 0.266 242 T C 2.005 176.535 174.700 -0.283 0.000 1.040 242 T CA 1.362 63.412 62.100 -0.083 0.000 1.141 242 T CB -0.726 68.147 68.868 0.008 0.000 0.868 242 T HN 0.571 nan 8.240 nan 0.000 0.444 243 G N 0.748 109.468 108.800 -0.132 0.000 2.440 243 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.218 243 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.218 243 G C 1.872 176.716 174.900 -0.093 0.000 1.154 243 G CA 1.260 46.282 45.100 -0.129 0.000 0.767 243 G HN 0.503 nan 8.290 nan 0.000 0.552 244 S N -0.035 115.653 115.700 -0.020 0.000 2.370 244 S HA -0.101 4.368 4.470 -0.001 0.000 0.226 244 S C 2.371 176.952 174.600 -0.033 0.000 1.033 244 S CA 1.801 60.001 58.200 -0.001 0.000 1.011 244 S CB -0.258 62.952 63.200 0.016 0.000 0.852 244 S HN 0.447 nan 8.310 nan 0.000 0.457 245 K N 0.309 120.668 120.400 -0.067 0.000 2.026 245 K HA -0.033 4.286 4.320 -0.001 0.000 0.208 245 K C 2.042 178.588 176.600 -0.090 0.000 1.048 245 K CA 1.586 57.831 56.287 -0.069 0.000 0.929 245 K CB -0.371 32.085 32.500 -0.073 0.000 0.713 245 K HN 0.415 nan 8.250 nan 0.000 0.439 246 I N 0.985 121.451 120.570 -0.173 0.000 2.226 246 I HA -0.300 3.870 4.170 -0.001 0.000 0.245 246 I C 2.628 178.706 176.117 -0.066 0.000 1.100 246 I CA 1.161 62.360 61.300 -0.169 0.000 1.374 246 I CB -0.098 37.690 38.000 -0.353 0.000 1.057 246 I HN 0.235 nan 8.210 nan 0.000 0.413 247 M N -0.052 119.527 119.600 -0.035 0.000 2.175 247 M HA -0.185 4.294 4.480 -0.001 0.000 0.264 247 M C 2.248 178.567 176.300 0.032 0.000 1.063 247 M CA 1.684 57.008 55.300 0.039 0.000 1.119 247 M CB -0.139 32.520 32.600 0.099 0.000 1.377 247 M HN 0.181 nan 8.290 nan 0.000 0.415 248 T N 0.216 114.777 114.554 0.011 0.000 2.746 248 T HA -0.129 4.220 4.350 -0.001 0.000 0.267 248 T C 1.573 176.277 174.700 0.007 0.000 1.039 248 T CA 2.030 64.135 62.100 0.009 0.000 1.142 248 T CB -0.462 68.406 68.868 -0.000 0.000 0.866 248 T HN 0.473 nan 8.240 nan 0.000 0.444 249 T N 2.075 116.627 114.554 -0.002 0.000 2.737 249 T HA 0.008 4.357 4.350 -0.001 0.000 0.265 249 T C 2.449 177.158 174.700 0.015 0.000 1.038 249 T CA 1.124 63.225 62.100 0.002 0.000 1.144 249 T CB -0.623 68.242 68.868 -0.006 0.000 0.866 249 T HN 0.418 nan 8.240 nan 0.000 0.434 250 A N 1.655 124.488 122.820 0.021 0.000 1.940 250 A HA 0.066 4.385 4.320 -0.001 0.000 0.219 250 A C 2.648 180.254 177.584 0.037 0.000 1.176 250 A CA 1.918 53.978 52.037 0.038 0.000 0.631 250 A CB -1.154 17.878 19.000 0.053 0.000 0.814 250 A HN 0.521 nan 8.150 nan 0.000 0.446 251 A N -1.167 121.673 122.820 0.033 0.000 2.024 251 A HA -0.214 4.105 4.320 -0.001 0.000 0.220 251 A C 2.055 179.651 177.584 0.019 0.000 1.164 251 A CA 1.675 53.729 52.037 0.027 0.000 0.643 251 A CB -0.456 18.559 19.000 0.024 0.000 0.806 251 A HN 0.538 nan 8.150 nan 0.000 0.451 252 Q N -0.677 119.133 119.800 0.017 0.000 2.135 252 Q HA -0.082 4.258 4.340 -0.001 0.000 0.204 252 Q C 1.167 177.175 176.000 0.013 0.000 0.981 252 Q CA 1.268 57.078 55.803 0.012 0.000 0.856 252 Q CB -0.223 28.520 28.738 0.008 0.000 0.902 252 Q HN 0.704 nan 8.270 nan 0.000 0.425 253 L N 0.405 121.640 121.223 0.020 0.000 3.110 253 L HA 0.135 4.474 4.340 -0.001 0.000 0.266 253 L C 0.390 177.276 176.870 0.026 0.000 1.257 253 L CA -0.305 54.547 54.840 0.022 0.000 1.038 253 L CB 0.756 42.831 42.059 0.026 0.000 1.395 253 L HN -0.091 nan 8.230 nan 0.000 0.566 254 V N -2.165 117.764 119.914 0.025 0.000 5.359 254 V HA -0.328 3.792 4.120 -0.001 0.000 0.278 254 V C 0.171 176.286 176.094 0.036 0.000 0.622 254 V CA 0.871 63.187 62.300 0.027 0.000 0.649 254 V CB -2.511 29.323 31.823 0.018 0.000 0.408 254 V HN 0.542 nan 8.190 nan 0.000 0.918 255 K N 2.459 122.887 120.400 0.046 0.000 2.276 255 K HA 0.530 4.850 4.320 -0.001 0.000 0.283 255 K C -1.827 174.815 176.600 0.069 0.000 1.044 255 K CA -1.293 55.028 56.287 0.057 0.000 0.944 255 K CB 0.890 33.427 32.500 0.062 0.000 1.012 255 K HN 0.479 nan 8.250 nan 0.000 0.472 256 P HA 0.042 nan 4.420 nan 0.000 0.269 256 P C -0.707 176.661 177.300 0.114 0.000 1.209 256 P CA -0.279 62.875 63.100 0.090 0.000 0.776 256 P CB 0.921 32.664 31.700 0.072 0.000 0.876 257 V N 1.366 121.380 119.914 0.167 0.000 3.007 257 V HA 0.571 4.691 4.120 -0.001 0.000 0.311 257 V C -0.723 175.480 176.094 0.182 0.000 1.120 257 V CA -0.446 61.951 62.300 0.162 0.000 0.980 257 V CB 2.492 34.409 31.823 0.156 0.000 1.033 257 V HN 0.863 nan 8.190 nan 0.000 0.429 258 S N 6.035 121.772 115.700 0.062 0.000 2.526 258 S HA 0.853 5.322 4.470 -0.001 0.000 0.293 258 S C -1.367 173.159 174.600 -0.124 0.000 1.092 258 S CA -0.719 57.453 58.200 -0.047 0.000 0.980 258 S CB 1.611 64.811 63.200 -0.001 0.000 1.048 258 S HN 0.663 nan 8.310 nan 0.000 0.483 259 L N 2.121 123.134 121.223 -0.350 0.000 2.406 259 L HA 0.572 4.911 4.340 -0.001 0.000 0.272 259 L C -0.343 176.437 176.870 -0.150 0.000 0.980 259 L CA -0.427 54.286 54.840 -0.212 0.000 0.831 259 L CB 2.011 43.870 42.059 -0.334 0.000 1.253 259 L HN 0.743 nan 8.230 nan 0.000 0.406 260 E N 4.723 124.884 120.200 -0.064 0.000 2.073 260 E HA 0.502 4.851 4.350 -0.001 0.000 0.269 260 E C -1.077 175.487 176.600 -0.060 0.000 0.917 260 E CA -0.345 56.042 56.400 -0.021 0.000 0.757 260 E CB 1.230 30.971 29.700 0.069 0.000 1.111 260 E HN 0.521 nan 8.360 nan 0.000 0.410 261 L N 1.641 122.862 121.223 -0.002 0.000 2.585 261 L HA 0.597 4.937 4.340 -0.001 0.000 0.260 261 L C 1.341 178.205 176.870 -0.011 0.000 1.085 261 L CA -0.973 53.881 54.840 0.023 0.000 0.913 261 L CB 0.229 42.359 42.059 0.119 0.000 1.638 261 L HN 0.474 nan 8.230 nan 0.000 0.531 262 G N -1.444 107.328 108.800 -0.047 0.000 2.481 262 G HA2 0.535 4.494 3.960 -0.001 0.000 0.251 262 G HA3 0.535 4.494 3.960 -0.001 0.000 0.251 262 G C -0.343 174.345 174.900 -0.353 0.000 1.492 262 G CA 0.240 45.225 45.100 -0.190 0.000 1.060 262 G HN 0.897 nan 8.290 nan 0.000 0.553 263 G N -2.264 106.142 108.800 -0.657 0.000 2.451 263 G HA2 0.466 4.425 3.960 -0.001 0.000 0.292 263 G HA3 0.466 4.425 3.960 -0.001 0.000 0.292 263 G C -1.617 172.883 174.900 -0.666 0.000 1.427 263 G CA -0.523 44.103 45.100 -0.791 0.000 0.792 263 G HN 0.566 nan 8.290 nan 0.000 0.498 264 K N 0.716 120.884 120.400 -0.387 0.000 2.920 264 K HA 0.543 4.862 4.320 -0.001 0.000 0.175 264 K C -0.193 176.305 176.600 -0.169 0.000 1.099 264 K CA -0.305 55.848 56.287 -0.223 0.000 0.939 264 K CB 0.433 32.835 32.500 -0.163 0.000 1.148 264 K HN 0.436 nan 8.250 nan 0.000 0.613 265 S N 3.924 119.558 115.700 -0.110 0.000 2.531 265 S HA 0.312 4.781 4.470 -0.001 0.000 0.279 265 S C -2.377 172.188 174.600 -0.058 0.000 1.305 265 S CA -0.826 57.341 58.200 -0.055 0.000 1.058 265 S CB 0.627 63.850 63.200 0.038 0.000 0.899 265 S HN 0.425 nan 8.310 nan 0.000 0.493 266 P HA 0.449 nan 4.420 nan 0.000 0.290 266 P C -0.927 176.389 177.300 0.025 0.000 1.275 266 P CA -0.666 62.409 63.100 -0.042 0.000 0.841 266 P CB 0.983 32.648 31.700 -0.058 0.000 1.042 267 I N 2.638 123.235 120.570 0.045 0.000 2.410 267 I HA 0.293 4.462 4.170 -0.001 0.000 0.286 267 I C -1.172 174.981 176.117 0.060 0.000 1.009 267 I CA -1.098 60.242 61.300 0.068 0.000 1.111 267 I CB 1.407 39.457 38.000 0.084 0.000 1.262 267 I HN -0.040 nan 8.210 nan 0.000 0.443 268 V N 8.019 127.952 119.914 0.031 0.000 2.370 268 V HA 0.360 4.479 4.120 -0.001 0.000 0.279 268 V C -0.174 175.918 176.094 -0.003 0.000 1.029 268 V CA -0.481 61.800 62.300 -0.031 0.000 0.870 268 V CB 1.512 33.255 31.823 -0.133 0.000 0.984 268 V HN 0.471 nan 8.190 nan 0.000 0.451 269 V N 6.324 126.228 119.914 -0.018 0.000 2.378 269 V HA 0.482 4.601 4.120 -0.001 0.000 0.288 269 V C -0.295 175.764 176.094 -0.057 0.000 1.016 269 V CA -0.470 61.797 62.300 -0.055 0.000 0.840 269 V CB 1.250 32.919 31.823 -0.256 0.000 0.994 269 V HN 0.632 nan 8.190 nan 0.000 0.431 270 F N 2.808 122.811 119.950 0.088 0.000 2.362 270 F HA 0.311 4.837 4.527 -0.001 0.000 0.311 270 F C 1.851 177.607 175.800 -0.073 0.000 1.161 270 F CA -0.288 57.771 58.000 0.098 0.000 1.085 270 F CB 0.719 39.769 39.000 0.083 0.000 1.311 270 F HN 0.629 nan 8.300 nan 0.000 0.524 271 E N 0.881 121.113 120.200 0.053 0.000 2.150 271 E HA -0.199 4.151 4.350 -0.001 0.000 0.193 271 E C 0.183 176.770 176.600 -0.023 0.000 0.985 271 E CA 1.243 57.601 56.400 -0.070 0.000 0.814 271 E CB -0.963 28.611 29.700 -0.210 0.000 0.752 271 E HN 0.655 nan 8.360 nan 0.000 0.466 272 D N 2.163 122.569 120.400 0.010 0.000 2.713 272 D HA 0.154 4.794 4.640 -0.001 0.000 0.229 272 D C 0.463 176.769 176.300 0.010 0.000 1.136 272 D CA -0.523 53.476 54.000 -0.000 0.000 1.010 272 D CB 0.060 40.849 40.800 -0.018 0.000 1.084 272 D HN 0.095 nan 8.370 nan 0.000 0.495 273 V N -2.642 117.276 119.914 0.007 0.000 3.130 273 V HA 0.475 4.595 4.120 -0.001 0.000 0.310 273 V C -0.438 175.678 176.094 0.037 0.000 1.158 273 V CA -1.219 61.090 62.300 0.015 0.000 1.029 273 V CB 2.301 34.117 31.823 -0.011 0.000 1.057 273 V HN 0.136 nan 8.190 nan 0.000 0.436 274 D N 1.513 121.949 120.400 0.060 0.000 2.344 274 D HA 0.157 4.796 4.640 -0.001 0.000 0.253 274 D C 0.846 177.222 176.300 0.127 0.000 1.255 274 D CA -0.224 53.829 54.000 0.089 0.000 0.894 274 D CB 1.494 42.349 40.800 0.092 0.000 1.067 274 D HN 0.512 nan 8.370 nan 0.000 0.492 275 L N 4.252 125.568 121.223 0.155 0.000 2.079 275 L HA -0.181 4.158 4.340 -0.001 0.000 0.210 275 L C 1.728 178.783 176.870 0.308 0.000 1.081 275 L CA 1.728 56.730 54.840 0.270 0.000 0.752 275 L CB -0.625 41.605 42.059 0.285 0.000 0.896 275 L HN 0.436 nan 8.230 nan 0.000 0.433 276 D N -1.286 119.256 120.400 0.237 0.000 2.149 276 D HA -0.131 4.509 4.640 -0.001 0.000 0.201 276 D C 2.134 178.511 176.300 0.128 0.000 0.972 276 D CA 0.850 55.011 54.000 0.267 0.000 0.835 276 D CB -0.005 40.974 40.800 0.298 0.000 0.966 276 D HN 0.223 nan 8.370 nan 0.000 0.476 277 K N 0.255 120.722 120.400 0.112 0.000 2.062 277 K HA -0.019 4.300 4.320 -0.001 0.000 0.205 277 K C 1.969 178.613 176.600 0.073 0.000 1.051 277 K CA 0.478 56.794 56.287 0.049 0.000 0.941 277 K CB -0.002 32.566 32.500 0.113 0.000 0.719 277 K HN -0.021 nan 8.250 nan 0.000 0.440 278 V N 1.237 121.258 119.914 0.178 0.000 2.515 278 V HA -0.215 3.904 4.120 -0.001 0.000 0.250 278 V C 2.216 178.465 176.094 0.258 0.000 1.058 278 V CA 1.898 64.353 62.300 0.258 0.000 1.064 278 V CB -0.497 31.430 31.823 0.174 0.000 0.675 278 V HN 0.345 nan 8.190 nan 0.000 0.461 279 A N -0.318 122.600 122.820 0.163 0.000 1.933 279 A HA -0.279 4.041 4.320 -0.001 0.000 0.218 279 A C 2.282 179.526 177.584 -0.566 0.000 1.175 279 A CA 2.020 53.937 52.037 -0.199 0.000 0.628 279 A CB -0.460 18.321 19.000 -0.365 0.000 0.814 279 A HN 0.626 nan 8.150 nan 0.000 0.444 280 E N -1.319 118.335 120.200 -0.909 0.000 2.077 280 E HA -0.228 4.121 4.350 -0.001 0.000 0.193 280 E C 1.810 178.146 176.600 -0.439 0.000 0.989 280 E CA 1.200 56.984 56.400 -1.026 0.000 0.800 280 E CB -0.239 28.732 29.700 -1.215 0.000 0.746 280 E HN 0.799 nan 8.360 nan 0.000 0.452 281 W N 0.558 121.690 121.300 -0.280 0.000 2.358 281 W HA -0.199 4.461 4.660 -0.001 0.000 0.303 281 W C 2.876 179.350 176.519 -0.076 0.000 1.208 281 W CA 1.743 58.989 57.345 -0.166 0.000 1.274 281 W CB -0.535 28.841 29.460 -0.140 0.000 1.138 281 W HN 0.207 nan 8.180 nan 0.000 0.515 282 T N -0.956 113.692 114.554 0.158 0.000 2.904 282 T HA -0.172 4.178 4.350 -0.001 0.000 0.267 282 T C 1.795 176.426 174.700 -0.115 0.000 1.059 282 T CA 1.834 63.975 62.100 0.068 0.000 1.137 282 T CB -0.752 68.208 68.868 0.152 0.000 0.879 282 T HN 0.042 nan 8.240 nan 0.000 0.467 283 V N -1.361 118.462 119.914 -0.152 0.000 2.548 283 V HA 0.106 4.225 4.120 -0.001 0.000 0.249 283 V C 2.221 178.230 176.094 -0.141 0.000 1.055 283 V CA 1.476 63.618 62.300 -0.263 0.000 1.065 283 V CB -1.536 30.329 31.823 0.070 0.000 0.681 283 V HN 0.448 nan 8.190 nan 0.000 0.462 284 F N 2.997 122.868 119.950 -0.132 0.000 2.134 284 F HA 0.113 4.639 4.527 -0.001 0.000 0.299 284 F C 2.373 178.139 175.800 -0.056 0.000 1.097 284 F CA 1.977 59.934 58.000 -0.073 0.000 1.264 284 F CB -0.769 38.118 39.000 -0.188 0.000 1.001 284 F HN 0.245 nan 8.300 nan 0.000 0.479 285 G N -1.377 107.468 108.800 0.076 0.000 2.448 285 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.219 285 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.219 285 G C 1.636 176.462 174.900 -0.123 0.000 1.127 285 G CA 1.105 46.189 45.100 -0.027 0.000 0.766 285 G HN 0.538 nan 8.290 nan 0.000 0.552 286 C N -1.495 117.653 119.300 -0.252 0.000 2.964 286 C HA 0.506 4.965 4.460 -0.001 0.000 0.358 286 C C 2.136 177.049 174.990 -0.128 0.000 1.289 286 C CA -0.143 58.701 59.018 -0.289 0.000 1.856 286 C CB -0.523 26.914 27.740 -0.504 0.000 2.488 286 C HN 0.400 nan 8.230 nan 0.000 0.604 287 F N -1.199 118.744 119.950 -0.011 0.000 2.717 287 F HA 0.279 4.806 4.527 -0.001 0.000 0.297 287 F C 0.906 176.672 175.800 -0.056 0.000 1.113 287 F CA -0.676 57.313 58.000 -0.017 0.000 1.319 287 F CB -0.137 38.883 39.000 0.032 0.000 1.097 287 F HN 0.030 nan 8.300 nan 0.000 0.595 288 F N 2.204 122.051 119.950 -0.172 0.000 2.628 288 F HA -0.038 4.489 4.527 -0.001 0.000 0.362 288 F C 1.358 177.018 175.800 -0.234 0.000 1.148 288 F CA 0.772 58.563 58.000 -0.348 0.000 1.352 288 F CB 0.386 38.858 39.000 -0.880 0.000 1.081 288 F HN 0.053 nan 8.300 nan 0.000 0.605 289 T N 4.300 118.313 114.554 -0.902 0.000 4.096 289 T HA -0.281 4.068 4.350 -0.001 0.000 0.343 289 T C 0.023 174.504 174.700 -0.364 0.000 0.756 289 T CA 0.723 62.414 62.100 -0.682 0.000 1.914 289 T CB -1.914 66.546 68.868 -0.681 0.000 1.873 289 T HN 0.851 nan 8.240 nan 0.000 0.850 290 N N -1.355 117.202 118.700 -0.239 0.000 2.714 290 N HA -0.249 4.490 4.740 -0.001 0.000 0.250 290 N C 1.127 176.589 175.510 -0.081 0.000 1.117 290 N CA 2.151 55.134 53.050 -0.112 0.000 0.719 290 N CB -1.652 36.773 38.487 -0.104 0.000 1.081 290 N HN 1.741 nan 8.380 nan 0.000 0.557 291 G N -0.846 107.900 108.800 -0.090 0.000 2.179 291 G HA2 -0.357 3.603 3.960 -0.001 0.000 0.260 291 G HA3 -0.357 3.603 3.960 -0.001 0.000 0.260 291 G C 0.003 174.697 174.900 -0.343 0.000 0.977 291 G CA 0.500 45.551 45.100 -0.083 0.000 0.641 291 G HN 0.541 nan 8.290 nan 0.000 0.533 292 Q N 0.219 119.720 119.800 -0.498 0.000 3.135 292 Q HA 0.562 4.901 4.340 -0.001 0.000 0.344 292 Q C 0.163 175.614 176.000 -0.916 0.000 1.321 292 Q CA 0.020 55.160 55.803 -1.106 0.000 1.050 292 Q CB 0.256 28.653 28.738 -0.568 0.000 1.498 292 Q HN 0.637 nan 8.270 nan 0.000 0.503 293 I N -1.124 119.075 120.570 -0.618 0.000 2.406 293 I HA 0.173 4.343 4.170 -0.001 0.000 0.290 293 I C 0.795 176.961 176.117 0.082 0.000 0.999 293 I CA -0.837 60.402 61.300 -0.101 0.000 1.124 293 I CB 1.632 39.663 38.000 0.053 0.000 1.289 293 I HN 0.370 nan 8.210 nan 0.000 0.441 294 C N 1.691 121.174 119.300 0.305 0.000 2.413 294 C HA -0.130 4.329 4.460 -0.001 0.000 0.277 294 C C 2.394 177.513 174.990 0.215 0.000 1.265 294 C CA 1.322 60.536 59.018 0.328 0.000 1.752 294 C CB -1.095 26.790 27.740 0.242 0.000 1.998 294 C HN 0.932 nan 8.230 nan 0.000 0.489 295 S N 0.607 116.482 115.700 0.291 0.000 2.614 295 S HA 0.490 4.960 4.470 -0.001 0.000 0.230 295 S C 0.531 175.274 174.600 0.237 0.000 0.952 295 S CA 0.241 58.615 58.200 0.289 0.000 0.949 295 S CB -0.381 63.139 63.200 0.533 0.000 0.786 295 S HN 0.542 nan 8.310 nan 0.000 0.478 296 A N 2.627 125.525 122.820 0.129 0.000 2.567 296 A HA 0.386 4.705 4.320 -0.001 0.000 0.240 296 A C 0.891 178.500 177.584 0.042 0.000 1.053 296 A CA 0.208 52.275 52.037 0.050 0.000 0.755 296 A CB -0.334 18.657 19.000 -0.015 0.000 0.978 296 A HN 0.651 nan 8.150 nan 0.000 0.507 297 T N 1.106 115.678 114.554 0.030 0.000 3.414 297 T HA 0.351 4.700 4.350 -0.001 0.000 0.304 297 T C 0.912 175.600 174.700 -0.020 0.000 1.241 297 T CA 0.024 62.141 62.100 0.027 0.000 1.076 297 T CB -0.095 68.808 68.868 0.059 0.000 1.134 297 T HN 0.835 nan 8.240 nan 0.000 0.759 298 S N 1.965 117.646 115.700 -0.031 0.000 2.535 298 S HA 0.195 4.664 4.470 -0.001 0.000 0.214 298 S C 0.711 175.300 174.600 -0.019 0.000 0.980 298 S CA -0.680 57.505 58.200 -0.025 0.000 0.907 298 S CB 0.059 63.250 63.200 -0.015 0.000 0.790 298 S HN 0.598 nan 8.310 nan 0.000 0.510 299 R N 1.348 121.812 120.500 -0.059 0.000 2.275 299 R HA 0.437 4.776 4.340 -0.001 0.000 0.326 299 R C -1.210 175.135 176.300 0.075 0.000 0.973 299 R CA -0.365 55.707 56.100 -0.047 0.000 0.854 299 R CB 1.273 31.335 30.300 -0.397 0.000 1.156 299 R HN 0.291 nan 8.270 nan 0.000 0.487 300 L N 5.570 126.896 121.223 0.171 0.000 2.290 300 L HA 0.434 4.773 4.340 -0.001 0.000 0.284 300 L C -0.673 176.348 176.870 0.252 0.000 1.078 300 L CA -0.416 54.541 54.840 0.194 0.000 0.815 300 L CB 0.766 42.950 42.059 0.209 0.000 1.162 300 L HN 0.664 nan 8.230 nan 0.000 0.435 301 I N 6.309 127.009 120.570 0.217 0.000 2.464 301 I HA 0.247 4.416 4.170 -0.001 0.000 0.277 301 I C -0.383 175.916 176.117 0.304 0.000 1.040 301 I CA -0.538 60.919 61.300 0.260 0.000 1.153 301 I CB 1.477 39.586 38.000 0.182 0.000 1.274 301 I HN 0.240 nan 8.210 nan 0.000 0.469 302 V N 3.103 123.156 119.914 0.232 0.000 2.630 302 V HA 0.354 4.473 4.120 -0.001 0.000 0.305 302 V C 0.401 176.282 176.094 -0.355 0.000 1.046 302 V CA -0.885 61.440 62.300 0.041 0.000 0.934 302 V CB 1.528 33.383 31.823 0.052 0.000 1.003 302 V HN 0.583 nan 8.190 nan 0.000 0.451 303 H N 3.311 121.909 119.070 -0.787 0.000 2.848 303 H HA 0.045 4.601 4.556 -0.001 0.000 0.341 303 H C 1.305 176.318 175.328 -0.526 0.000 1.060 303 H CA 0.812 56.159 56.048 -1.169 0.000 1.444 303 H CB 1.234 30.530 29.762 -0.777 0.000 1.446 303 H HN 1.014 nan 8.280 nan 0.000 0.583 304 E N 1.988 121.693 120.200 -0.825 0.000 2.204 304 E HA -0.187 4.162 4.350 -0.001 0.000 0.195 304 E C 1.605 178.113 176.600 -0.153 0.000 0.990 304 E CA 1.330 57.502 56.400 -0.380 0.000 0.821 304 E CB -0.018 29.472 29.700 -0.350 0.000 0.750 304 E HN 0.569 nan 8.360 nan 0.000 0.477 305 S N 1.330 117.020 115.700 -0.016 0.000 2.474 305 S HA -0.095 4.375 4.470 -0.001 0.000 0.235 305 S C 1.977 176.627 174.600 0.084 0.000 0.997 305 S CA 0.894 59.158 58.200 0.108 0.000 0.949 305 S CB -0.674 62.659 63.200 0.222 0.000 0.766 305 S HN 0.616 nan 8.310 nan 0.000 0.517 306 I N -2.987 117.629 120.570 0.076 0.000 4.154 306 I HA 0.625 4.794 4.170 -0.001 0.000 0.334 306 I C 2.005 178.185 176.117 0.106 0.000 1.371 306 I CA -0.002 61.340 61.300 0.070 0.000 1.110 306 I CB -0.132 37.888 38.000 0.034 0.000 1.085 306 I HN 0.143 nan 8.210 nan 0.000 0.398 307 A N 2.156 125.014 122.820 0.063 0.000 1.884 307 A HA -0.236 4.083 4.320 -0.001 0.000 0.219 307 A C 2.484 180.154 177.584 0.143 0.000 1.197 307 A CA 2.979 55.076 52.037 0.100 0.000 0.637 307 A CB -1.139 17.872 19.000 0.017 0.000 0.827 307 A HN 0.545 nan 8.150 nan 0.000 0.450 308 V N 0.458 120.429 119.914 0.095 0.000 2.379 308 V HA -0.203 3.916 4.120 -0.001 0.000 0.245 308 V C 2.166 178.320 176.094 0.100 0.000 1.044 308 V CA 2.451 64.801 62.300 0.083 0.000 1.036 308 V CB -0.867 30.988 31.823 0.052 0.000 0.664 308 V HN 0.817 nan 8.190 nan 0.000 0.453 309 E N -0.515 119.756 120.200 0.118 0.000 2.208 309 E HA -0.183 4.167 4.350 -0.001 0.000 0.193 309 E C 2.047 178.755 176.600 0.181 0.000 0.988 309 E CA 1.397 57.873 56.400 0.126 0.000 0.828 309 E CB -0.671 29.097 29.700 0.114 0.000 0.763 309 E HN 0.600 nan 8.360 nan 0.000 0.478 310 F N 2.067 122.055 119.950 0.063 0.000 2.084 310 F HA -0.127 4.399 4.527 -0.001 0.000 0.296 310 F C 2.109 177.961 175.800 0.087 0.000 1.111 310 F CA 1.155 59.199 58.000 0.074 0.000 1.224 310 F CB -0.418 38.617 39.000 0.059 0.000 0.991 310 F HN -0.133 nan 8.300 nan 0.000 0.471 311 V N 0.484 120.407 119.914 0.015 0.000 2.407 311 V HA -0.328 3.791 4.120 -0.001 0.000 0.248 311 V C 2.064 178.131 176.094 -0.046 0.000 1.055 311 V CA 2.292 64.551 62.300 -0.068 0.000 1.049 311 V CB -0.817 31.036 31.823 0.050 0.000 0.662 311 V HN 0.407 nan 8.190 nan 0.000 0.455 312 D N -0.062 120.344 120.400 0.010 0.000 2.104 312 D HA -0.208 4.432 4.640 -0.001 0.000 0.194 312 D C 2.227 178.547 176.300 0.033 0.000 0.994 312 D CA 1.499 55.516 54.000 0.029 0.000 0.830 312 D CB -0.073 40.755 40.800 0.047 0.000 0.959 312 D HN 0.372 nan 8.370 nan 0.000 0.452 313 K N -0.497 119.925 120.400 0.037 0.000 2.097 313 K HA -0.130 4.190 4.320 -0.001 0.000 0.206 313 K C 2.067 178.757 176.600 0.150 0.000 1.049 313 K CA 0.581 56.937 56.287 0.115 0.000 0.933 313 K CB -0.195 32.399 32.500 0.156 0.000 0.717 313 K HN 0.156 nan 8.250 nan 0.000 0.442 314 L N 0.862 122.032 121.223 -0.089 0.000 2.079 314 L HA -0.177 4.162 4.340 -0.001 0.000 0.210 314 L C 2.093 179.020 176.870 0.095 0.000 1.081 314 L CA 1.400 56.179 54.840 -0.102 0.000 0.752 314 L CB -0.304 41.555 42.059 -0.334 0.000 0.896 314 L HN -0.063 nan 8.230 nan 0.000 0.433 315 V N -0.820 119.136 119.914 0.071 0.000 2.358 315 V HA -0.303 3.816 4.120 -0.001 0.000 0.246 315 V C 2.503 178.658 176.094 0.101 0.000 1.047 315 V CA 1.785 64.139 62.300 0.090 0.000 1.035 315 V CB -0.516 31.341 31.823 0.056 0.000 0.658 315 V HN 0.429 nan 8.190 nan 0.000 0.452 316 K N -1.417 119.036 120.400 0.089 0.000 2.057 316 K HA -0.207 4.112 4.320 -0.001 0.000 0.207 316 K C 1.985 178.608 176.600 0.038 0.000 1.049 316 K CA 1.907 58.214 56.287 0.034 0.000 0.931 316 K CB -0.277 32.214 32.500 -0.015 0.000 0.714 316 K HN 0.487 nan 8.250 nan 0.000 0.440 317 W N 0.824 122.133 121.300 0.015 0.000 2.358 317 W HA -0.163 4.496 4.660 -0.001 0.000 0.303 317 W C 2.449 179.013 176.519 0.075 0.000 1.208 317 W CA 1.472 58.840 57.345 0.039 0.000 1.274 317 W CB -0.362 29.121 29.460 0.037 0.000 1.138 317 W HN 0.122 nan 8.180 nan 0.000 0.515 318 A N -0.012 123.007 122.820 0.332 0.000 1.902 318 A HA -0.214 4.106 4.320 -0.001 0.000 0.217 318 A C 1.726 179.367 177.584 0.095 0.000 1.181 318 A CA 1.785 53.968 52.037 0.244 0.000 0.623 318 A CB -0.726 18.424 19.000 0.251 0.000 0.818 318 A HN 0.375 nan 8.150 nan 0.000 0.443 319 E N -0.845 119.396 120.200 0.068 0.000 2.418 319 E HA -0.103 4.246 4.350 -0.001 0.000 0.197 319 E C 1.125 177.725 176.600 -0.001 0.000 1.026 319 E CA 0.572 56.983 56.400 0.018 0.000 0.862 319 E CB -0.062 29.643 29.700 0.008 0.000 0.799 319 E HN 0.593 nan 8.360 nan 0.000 0.518 320 N N 0.300 119.003 118.700 0.005 0.000 2.336 320 N HA 0.056 4.795 4.740 -0.001 0.000 0.189 320 N C -0.304 175.211 175.510 0.008 0.000 1.113 320 N CA 0.003 53.033 53.050 -0.032 0.000 0.858 320 N CB 0.343 38.761 38.487 -0.115 0.000 0.970 320 N HN -0.008 nan 8.380 nan 0.000 0.471 321 I N 1.504 122.107 120.570 0.054 0.000 2.436 321 I HA 0.001 4.170 4.170 -0.001 0.000 0.289 321 I C 0.653 176.795 176.117 0.041 0.000 1.083 321 I CA -0.310 61.036 61.300 0.077 0.000 1.372 321 I CB 0.570 38.634 38.000 0.108 0.000 1.408 321 I HN 0.018 nan 8.210 nan 0.000 0.516 322 K N 7.843 128.266 120.400 0.038 0.000 2.402 322 K HA 0.247 4.566 4.320 -0.001 0.000 0.285 322 K C -0.608 176.021 176.600 0.049 0.000 1.054 322 K CA -0.129 56.172 56.287 0.023 0.000 1.001 322 K CB 0.501 33.009 32.500 0.012 0.000 0.946 322 K HN 0.583 nan 8.250 nan 0.000 0.473 323 I N 4.013 124.620 120.570 0.061 0.000 2.354 323 I HA 0.297 4.466 4.170 -0.001 0.000 0.292 323 I C -0.905 175.229 176.117 0.029 0.000 0.989 323 I CA 0.134 61.477 61.300 0.073 0.000 1.188 323 I CB 1.174 39.219 38.000 0.076 0.000 1.342 323 I HN 0.941 nan 8.210 nan 0.000 0.457 324 S N 4.409 120.116 115.700 0.013 0.000 2.703 324 S HA 0.261 4.731 4.470 -0.001 0.000 0.273 324 S C -1.091 173.565 174.600 0.092 0.000 1.178 324 S CA -0.985 57.181 58.200 -0.055 0.000 0.838 324 S CB 0.895 64.098 63.200 0.005 0.000 1.178 324 S HN 0.720 nan 8.310 nan 0.000 0.494 325 D N 1.152 121.591 120.400 0.066 0.000 2.488 325 D HA 0.151 4.790 4.640 -0.001 0.000 0.238 325 D C -1.482 174.871 176.300 0.088 0.000 1.138 325 D CA -0.967 53.111 54.000 0.130 0.000 0.873 325 D CB 1.011 41.844 40.800 0.054 0.000 1.183 325 D HN 0.165 nan 8.370 nan 0.000 0.458 326 P HA -0.078 nan 4.420 nan 0.000 0.219 326 P C 1.382 178.695 177.300 0.021 0.000 1.146 326 P CA 0.890 64.010 63.100 0.033 0.000 0.808 326 P CB 0.172 31.871 31.700 -0.001 0.000 0.779 327 L N -1.234 119.999 121.223 0.017 0.000 2.313 327 L HA 0.019 4.359 4.340 -0.001 0.000 0.214 327 L C 1.434 178.312 176.870 0.013 0.000 1.119 327 L CA 0.291 55.137 54.840 0.011 0.000 0.809 327 L CB -0.681 41.380 42.059 0.003 0.000 0.933 327 L HN 0.060 nan 8.230 nan 0.000 0.449 328 E N 1.768 121.977 120.200 0.016 0.000 2.415 328 E HA -0.085 4.265 4.350 -0.001 0.000 0.262 328 E C 0.085 176.694 176.600 0.014 0.000 1.038 328 E CA -0.175 56.232 56.400 0.011 0.000 0.921 328 E CB 0.601 30.306 29.700 0.008 0.000 0.950 328 E HN 0.109 nan 8.360 nan 0.000 0.438 329 E N 2.074 122.280 120.200 0.010 0.000 2.415 329 E HA 0.047 4.396 4.350 -0.001 0.000 0.263 329 E C 0.488 177.097 176.600 0.014 0.000 0.995 329 E CA 0.950 57.357 56.400 0.012 0.000 0.915 329 E CB 0.128 29.832 29.700 0.007 0.000 0.951 329 E HN 0.733 nan 8.360 nan 0.000 0.449 330 G N 3.414 112.228 108.800 0.023 0.000 2.143 330 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.248 330 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.248 330 G C 0.308 175.230 174.900 0.037 0.000 0.991 330 G CA 0.013 45.130 45.100 0.029 0.000 0.689 330 G HN 0.798 nan 8.290 nan 0.000 0.522 331 C N 0.939 120.262 119.300 0.039 0.000 2.648 331 C HA 0.643 5.102 4.460 -0.001 0.000 0.415 331 C C 1.654 176.680 174.990 0.060 0.000 1.366 331 C CA -0.154 58.892 59.018 0.047 0.000 1.756 331 C CB 0.052 27.819 27.740 0.045 0.000 2.549 331 C HN 0.448 nan 8.230 nan 0.000 0.597 332 R N 2.898 123.440 120.500 0.071 0.000 2.476 332 R HA 0.364 4.703 4.340 -0.001 0.000 0.276 332 R C -0.912 175.436 176.300 0.080 0.000 0.941 332 R CA -0.051 56.106 56.100 0.096 0.000 1.088 332 R CB 0.253 30.628 30.300 0.125 0.000 1.216 332 R HN 0.704 nan 8.270 nan 0.000 0.533 333 L N -0.399 120.864 121.223 0.066 0.000 2.614 333 L HA 0.560 4.900 4.340 -0.001 0.000 0.264 333 L C -0.457 176.478 176.870 0.108 0.000 0.940 333 L CA -0.470 54.404 54.840 0.058 0.000 0.903 333 L CB 1.804 43.898 42.059 0.059 0.000 1.306 333 L HN 0.093 nan 8.230 nan 0.000 0.410 334 G N 3.609 112.443 108.800 0.056 0.000 2.642 334 G HA2 0.741 4.701 3.960 -0.001 0.000 0.291 334 G HA3 0.741 4.701 3.960 -0.001 0.000 0.291 334 G C -2.906 171.948 174.900 -0.077 0.000 1.345 334 G CA -1.274 43.870 45.100 0.075 0.000 1.043 334 G HN 0.450 nan 8.290 nan 0.000 0.528 335 P HA 0.302 nan 4.420 nan 0.000 0.278 335 P C -0.100 177.013 177.300 -0.313 0.000 1.258 335 P CA -0.503 62.129 63.100 -0.780 0.000 0.811 335 P CB 1.205 32.120 31.700 -1.309 0.000 1.063 336 I N 1.403 121.864 120.570 -0.183 0.000 2.754 336 I HA -0.074 4.096 4.170 -0.001 0.000 0.285 336 I C 2.235 178.274 176.117 -0.129 0.000 1.166 336 I CA 0.029 61.287 61.300 -0.071 0.000 1.417 336 I CB 0.315 38.351 38.000 0.061 0.000 1.382 336 I HN 0.177 nan 8.210 nan 0.000 0.588 337 V N 4.763 124.538 119.914 -0.231 0.000 2.392 337 V HA -0.163 3.956 4.120 -0.001 0.000 0.249 337 V C 1.114 177.001 176.094 -0.345 0.000 1.059 337 V CA 2.130 64.210 62.300 -0.365 0.000 1.051 337 V CB 0.089 31.409 31.823 -0.838 0.000 0.658 337 V HN 0.988 nan 8.190 nan 0.000 0.455 338 S N -2.778 112.646 115.700 -0.461 0.000 2.656 338 S HA 0.347 4.816 4.470 -0.001 0.000 0.273 338 S C 0.541 174.520 174.600 -1.036 0.000 1.168 338 S CA 0.029 57.868 58.200 -0.602 0.000 0.817 338 S CB 1.415 64.347 63.200 -0.448 0.000 1.146 338 S HN 0.274 nan 8.310 nan 0.000 0.475 339 E N 0.416 119.951 120.200 -1.108 0.000 2.047 339 E HA -0.085 4.264 4.350 -0.001 0.000 0.191 339 E C 2.146 178.556 176.600 -0.316 0.000 0.987 339 E CA 1.269 57.170 56.400 -0.831 0.000 0.799 339 E CB -0.469 29.005 29.700 -0.376 0.000 0.752 339 E HN 0.754 nan 8.360 nan 0.000 0.449 340 A N 1.057 123.731 122.820 -0.243 0.000 1.908 340 A HA -0.221 4.098 4.320 -0.001 0.000 0.218 340 A C 2.121 179.643 177.584 -0.103 0.000 1.181 340 A CA 1.375 53.333 52.037 -0.131 0.000 0.627 340 A CB -0.421 18.516 19.000 -0.106 0.000 0.818 340 A HN 0.244 nan 8.150 nan 0.000 0.445 341 Q N -1.863 117.849 119.800 -0.146 0.000 2.123 341 Q HA -0.141 4.199 4.340 -0.001 0.000 0.199 341 Q C 1.924 177.920 176.000 -0.007 0.000 0.966 341 Q CA 1.512 57.279 55.803 -0.059 0.000 0.845 341 Q CB -0.567 28.110 28.738 -0.101 0.000 0.907 341 Q HN 0.831 nan 8.270 nan 0.000 0.439 342 Y N 2.222 122.392 120.300 -0.217 0.000 2.128 342 Y HA -0.241 4.309 4.550 -0.001 0.000 0.284 342 Y C 1.989 177.851 175.900 -0.064 0.000 1.154 342 Y CA 1.719 59.733 58.100 -0.142 0.000 1.149 342 Y CB -0.037 38.295 38.460 -0.214 0.000 0.976 342 Y HN -0.003 nan 8.280 nan 0.000 0.505 343 K N 0.079 120.405 120.400 -0.125 0.000 2.057 343 K HA -0.187 4.132 4.320 -0.001 0.000 0.207 343 K C 2.110 178.641 176.600 -0.116 0.000 1.049 343 K CA 1.730 57.921 56.287 -0.160 0.000 0.931 343 K CB -0.229 32.232 32.500 -0.066 0.000 0.714 343 K HN 0.307 nan 8.250 nan 0.000 0.440 344 K N 0.794 121.159 120.400 -0.057 0.000 2.063 344 K HA -0.121 4.199 4.320 -0.001 0.000 0.208 344 K C 2.135 178.731 176.600 -0.007 0.000 1.048 344 K CA 1.236 57.516 56.287 -0.012 0.000 0.928 344 K CB -0.127 32.389 32.500 0.026 0.000 0.713 344 K HN -0.064 nan 8.250 nan 0.000 0.442 345 V N 1.727 121.628 119.914 -0.020 0.000 2.307 345 V HA -0.233 3.886 4.120 -0.001 0.000 0.245 345 V C 2.182 178.238 176.094 -0.062 0.000 1.045 345 V CA 1.574 63.870 62.300 -0.008 0.000 1.024 345 V CB -0.401 31.431 31.823 0.016 0.000 0.651 345 V HN 0.282 nan 8.190 nan 0.000 0.449 346 L N 0.027 121.148 121.223 -0.169 0.000 2.083 346 L HA -0.190 4.149 4.340 -0.001 0.000 0.209 346 L C 2.269 179.089 176.870 -0.084 0.000 1.083 346 L CA 1.899 56.636 54.840 -0.171 0.000 0.752 346 L CB -0.841 41.034 42.059 -0.307 0.000 0.899 346 L HN 0.456 nan 8.230 nan 0.000 0.433 347 N N -0.759 117.901 118.700 -0.066 0.000 2.166 347 N HA -0.182 4.557 4.740 -0.001 0.000 0.186 347 N C 1.930 177.442 175.510 0.004 0.000 1.019 347 N CA 1.347 54.382 53.050 -0.025 0.000 0.856 347 N CB -0.190 38.288 38.487 -0.015 0.000 0.993 347 N HN 0.354 nan 8.380 nan 0.000 0.426 348 C N 0.707 120.017 119.300 0.016 0.000 2.429 348 C HA -0.049 4.411 4.460 -0.001 0.000 0.277 348 C C 2.594 177.610 174.990 0.043 0.000 1.262 348 C CA 0.324 59.368 59.018 0.043 0.000 1.733 348 C CB -0.942 26.835 27.740 0.062 0.000 2.010 348 C HN 0.410 nan 8.230 nan 0.000 0.483 349 I N 1.909 122.494 120.570 0.026 0.000 2.142 349 I HA -0.198 3.971 4.170 -0.001 0.000 0.240 349 I C 2.657 178.788 176.117 0.024 0.000 1.078 349 I CA 2.120 63.437 61.300 0.028 0.000 1.343 349 I CB -0.499 37.508 38.000 0.011 0.000 1.046 349 I HN 0.393 nan 8.210 nan 0.000 0.405 350 S N -0.311 115.394 115.700 0.009 0.000 2.383 350 S HA -0.130 4.340 4.470 -0.001 0.000 0.227 350 S C 2.054 176.666 174.600 0.020 0.000 1.026 350 S CA 1.347 59.553 58.200 0.010 0.000 0.981 350 S CB -0.563 62.636 63.200 -0.002 0.000 0.818 350 S HN 0.316 nan 8.310 nan 0.000 0.472 351 S N 2.255 117.970 115.700 0.025 0.000 2.402 351 S HA 0.139 4.609 4.470 -0.001 0.000 0.229 351 S C 2.276 176.903 174.600 0.044 0.000 1.021 351 S CA 0.898 59.118 58.200 0.035 0.000 0.974 351 S CB -0.698 62.526 63.200 0.041 0.000 0.800 351 S HN 0.769 nan 8.310 nan 0.000 0.484 352 A N 1.844 124.694 122.820 0.051 0.000 1.898 352 A HA -0.096 4.224 4.320 -0.001 0.000 0.216 352 A C 2.070 179.682 177.584 0.047 0.000 1.181 352 A CA 1.265 53.338 52.037 0.060 0.000 0.620 352 A CB -0.385 18.659 19.000 0.073 0.000 0.819 352 A HN 0.364 nan 8.150 nan 0.000 0.442 353 K N -0.025 120.398 120.400 0.038 0.000 2.009 353 K HA -0.126 4.193 4.320 -0.001 0.000 0.210 353 K C 2.353 178.969 176.600 0.026 0.000 1.049 353 K CA 1.747 58.051 56.287 0.030 0.000 0.929 353 K CB -0.259 32.255 32.500 0.024 0.000 0.714 353 K HN 0.489 nan 8.250 nan 0.000 0.440 354 S N 1.153 116.868 115.700 0.025 0.000 2.399 354 S HA -0.123 4.346 4.470 -0.001 0.000 0.231 354 S C 1.530 176.144 174.600 0.024 0.000 1.022 354 S CA 1.157 59.371 58.200 0.022 0.000 0.983 354 S CB -0.123 63.090 63.200 0.021 0.000 0.803 354 S HN 0.347 nan 8.310 nan 0.000 0.480 355 E N 0.101 120.319 120.200 0.030 0.000 2.482 355 E HA 0.148 4.497 4.350 -0.001 0.000 0.196 355 E C 1.177 177.792 176.600 0.024 0.000 1.047 355 E CA 0.300 56.718 56.400 0.030 0.000 0.869 355 E CB 0.042 29.767 29.700 0.041 0.000 0.836 355 E HN 0.585 nan 8.360 nan 0.000 0.520 356 G N 0.584 109.398 108.800 0.023 0.000 2.154 356 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.186 356 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.186 356 G C 0.187 175.099 174.900 0.020 0.000 1.000 356 G CA -0.108 45.002 45.100 0.018 0.000 0.664 356 G HN 0.404 nan 8.290 nan 0.000 0.513 357 A N -0.014 122.823 122.820 0.029 0.000 2.302 357 A HA 0.799 5.118 4.320 -0.001 0.000 0.285 357 A C 0.535 178.141 177.584 0.036 0.000 1.105 357 A CA 0.651 52.708 52.037 0.034 0.000 0.816 357 A CB 0.674 19.705 19.000 0.051 0.000 1.067 357 A HN 0.702 nan 8.150 nan 0.000 0.489 358 T N 3.008 117.585 114.554 0.037 0.000 2.767 358 T HA 0.410 4.760 4.350 -0.001 0.000 0.284 358 T C 0.043 174.771 174.700 0.047 0.000 0.973 358 T CA -0.197 61.925 62.100 0.037 0.000 0.996 358 T CB 0.375 69.262 68.868 0.031 0.000 0.927 358 T HN 0.365 nan 8.240 nan 0.000 0.456 359 I N 4.917 125.513 120.570 0.044 0.000 2.322 359 I HA 0.148 4.317 4.170 -0.001 0.000 0.292 359 I C 1.216 177.360 176.117 0.045 0.000 1.060 359 I CA -0.182 61.147 61.300 0.048 0.000 1.309 359 I CB 0.271 38.295 38.000 0.041 0.000 1.415 359 I HN 0.680 nan 8.210 nan 0.000 0.492 360 L N 3.900 125.156 121.223 0.054 0.000 2.209 360 L HA 0.036 4.375 4.340 -0.001 0.000 0.207 360 L C 1.053 177.950 176.870 0.045 0.000 1.094 360 L CA 1.022 55.891 54.840 0.049 0.000 0.790 360 L CB -0.061 42.032 42.059 0.057 0.000 0.932 360 L HN 0.716 nan 8.230 nan 0.000 0.447 361 T N -1.843 112.740 114.554 0.050 0.000 2.885 361 T HA 0.512 4.861 4.350 -0.001 0.000 0.322 361 T C 0.018 174.734 174.700 0.026 0.000 1.387 361 T CA 0.132 62.255 62.100 0.038 0.000 1.041 361 T CB 1.460 70.354 68.868 0.044 0.000 1.287 361 T HN 0.445 nan 8.240 nan 0.000 0.491 362 G N 2.352 111.158 108.800 0.011 0.000 2.583 362 G HA2 0.182 4.142 3.960 -0.001 0.000 0.292 362 G HA3 0.182 4.142 3.960 -0.001 0.000 0.292 362 G C 1.154 176.062 174.900 0.012 0.000 1.203 362 G CA 1.292 46.392 45.100 -0.001 0.000 0.987 362 G HN 2.501 nan 8.290 nan 0.000 0.554 363 G N -1.465 107.342 108.800 0.011 0.000 2.143 363 G HA2 0.196 4.155 3.960 -0.001 0.000 0.248 363 G HA3 0.196 4.155 3.960 -0.001 0.000 0.248 363 G C 0.226 175.135 174.900 0.015 0.000 0.991 363 G CA 1.837 46.948 45.100 0.017 0.000 0.689 363 G HN 2.376 nan 8.290 nan 0.000 0.522 364 R N -2.258 118.256 120.500 0.024 0.000 2.764 364 R HA 0.709 5.048 4.340 -0.001 0.000 0.276 364 R C -0.189 176.155 176.300 0.073 0.000 1.021 364 R CA -0.738 55.384 56.100 0.037 0.000 0.870 364 R CB 0.514 30.833 30.300 0.031 0.000 1.293 364 R HN 0.274 nan 8.270 nan 0.000 0.469 365 R N 1.703 122.264 120.500 0.102 0.000 2.489 365 R HA 0.234 4.573 4.340 -0.001 0.000 0.287 365 R C -1.865 174.466 176.300 0.050 0.000 1.053 365 R CA -1.299 54.878 56.100 0.129 0.000 1.036 365 R CB 0.465 30.857 30.300 0.155 0.000 0.966 365 R HN 0.508 nan 8.270 nan 0.000 0.432 366 P HA -0.050 nan 4.420 nan 0.000 0.267 366 P C -0.133 177.110 177.300 -0.095 0.000 1.205 366 P CA 0.027 63.098 63.100 -0.048 0.000 0.765 366 P CB 0.979 32.582 31.700 -0.162 0.000 0.828 367 E N 2.546 122.751 120.200 0.008 0.000 2.160 367 E HA -0.214 4.135 4.350 -0.001 0.000 0.195 367 E C 1.340 177.931 176.600 -0.014 0.000 0.991 367 E CA 1.550 57.955 56.400 0.009 0.000 0.810 367 E CB -0.304 29.421 29.700 0.042 0.000 0.742 367 E HN 0.692 nan 8.360 nan 0.000 0.466 368 H N -1.920 117.097 119.070 -0.088 0.000 2.543 368 H HA 0.311 4.867 4.556 -0.001 0.000 0.269 368 H C 0.136 175.371 175.328 -0.155 0.000 1.005 368 H CA -0.058 55.925 56.048 -0.108 0.000 1.146 368 H CB -0.212 29.484 29.762 -0.110 0.000 1.353 368 H HN -0.082 nan 8.280 nan 0.000 0.595 369 L N 1.172 122.083 121.223 -0.520 0.000 2.485 369 L HA 0.308 4.647 4.340 -0.001 0.000 0.260 369 L C 0.121 176.844 176.870 -0.245 0.000 0.998 369 L CA -0.640 53.905 54.840 -0.492 0.000 0.883 369 L CB 1.846 43.358 42.059 -0.912 0.000 1.196 369 L HN -0.042 nan 8.230 nan 0.000 0.443 370 K N 0.657 120.969 120.400 -0.148 0.000 2.243 370 K HA 0.157 4.476 4.320 -0.001 0.000 0.201 370 K C 0.365 176.930 176.600 -0.059 0.000 1.051 370 K CA 0.879 57.120 56.287 -0.076 0.000 0.970 370 K CB 0.259 32.726 32.500 -0.055 0.000 0.755 370 K HN 0.151 nan 8.250 nan 0.000 0.465 371 K N -0.102 120.254 120.400 -0.073 0.000 2.221 371 K HA 0.615 4.935 4.320 -0.001 0.000 0.243 371 K C -0.048 176.530 176.600 -0.037 0.000 0.968 371 K CA -0.252 55.985 56.287 -0.084 0.000 0.846 371 K CB 1.516 33.960 32.500 -0.092 0.000 1.141 371 K HN 0.236 nan 8.250 nan 0.000 0.434 372 G N 0.693 109.345 108.800 -0.245 0.000 2.663 372 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.686 372 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.686 372 G C -1.085 173.403 174.900 -0.688 0.000 1.246 372 G CA -0.920 43.900 45.100 -0.466 0.000 0.795 372 G HN 0.490 nan 8.290 nan 0.000 0.627 373 Y N 0.075 119.909 120.300 -0.776 0.000 2.826 373 Y HA 0.495 5.044 4.550 -0.001 0.000 0.371 373 Y C 0.721 176.120 175.900 -0.835 0.000 1.252 373 Y CA -0.666 56.753 58.100 -1.134 0.000 1.813 373 Y CB -0.137 37.825 38.460 -0.830 0.000 1.913 373 Y HN 0.331 nan 8.280 nan 0.000 0.447 374 F N 0.440 120.227 119.950 -0.271 0.000 2.404 374 F HA 0.496 5.023 4.527 -0.001 0.000 0.345 374 F C 0.045 175.951 175.800 0.176 0.000 1.110 374 F CA -1.063 56.914 58.000 -0.037 0.000 1.130 374 F CB 0.969 39.901 39.000 -0.113 0.000 1.129 374 F HN -0.168 nan 8.300 nan 0.000 0.500 375 V N 2.305 122.412 119.914 0.321 0.000 2.680 375 V HA 0.319 4.439 4.120 -0.001 0.000 0.309 375 V C -0.192 175.964 176.094 0.103 0.000 1.052 375 V CA -1.335 61.095 62.300 0.217 0.000 0.908 375 V CB 1.761 33.676 31.823 0.153 0.000 1.001 375 V HN 0.647 nan 8.190 nan 0.000 0.431 376 E N 3.571 123.799 120.200 0.048 0.000 2.383 376 E HA 0.225 4.574 4.350 -0.001 0.000 0.264 376 E C -2.451 174.067 176.600 -0.136 0.000 1.050 376 E CA -1.624 54.761 56.400 -0.026 0.000 0.896 376 E CB 0.505 30.199 29.700 -0.011 0.000 0.982 376 E HN 0.446 nan 8.360 nan 0.000 0.424 377 P HA -0.067 nan 4.420 nan 0.000 0.258 377 P C -1.041 176.053 177.300 -0.343 0.000 1.172 377 P CA 0.618 63.301 63.100 -0.694 0.000 0.762 377 P CB 0.327 31.511 31.700 -0.859 0.000 0.764 378 T N 4.939 119.376 114.554 -0.194 0.000 2.792 378 T HA 0.587 4.937 4.350 -0.001 0.000 0.280 378 T C 0.211 175.032 174.700 0.202 0.000 0.990 378 T CA -0.338 61.784 62.100 0.037 0.000 0.960 378 T CB 0.644 69.543 68.868 0.052 0.000 0.939 378 T HN 0.154 nan 8.240 nan 0.000 0.439 379 I N 3.646 124.321 120.570 0.175 0.000 2.406 379 I HA 0.512 4.682 4.170 -0.001 0.000 0.290 379 I C -0.606 175.591 176.117 0.133 0.000 0.999 379 I CA -0.844 60.571 61.300 0.191 0.000 1.124 379 I CB 1.661 39.770 38.000 0.181 0.000 1.289 379 I HN 0.460 nan 8.210 nan 0.000 0.441 380 I N 5.075 125.727 120.570 0.137 0.000 2.418 380 I HA 0.372 4.542 4.170 -0.001 0.000 0.287 380 I C 0.067 176.251 176.117 0.112 0.000 1.008 380 I CA -0.196 61.173 61.300 0.114 0.000 1.104 380 I CB 2.139 40.210 38.000 0.119 0.000 1.264 380 I HN 0.514 nan 8.210 nan 0.000 0.438 381 T N 2.464 117.069 114.554 0.084 0.000 2.841 381 T HA 0.274 4.624 4.350 -0.001 0.000 0.276 381 T C -0.435 174.292 174.700 0.044 0.000 1.003 381 T CA -0.166 61.975 62.100 0.069 0.000 0.995 381 T CB 0.744 69.648 68.868 0.059 0.000 1.260 381 T HN 0.719 nan 8.240 nan 0.000 0.581 382 D N 0.232 120.644 120.400 0.021 0.000 2.723 382 D HA -0.114 4.525 4.640 -0.001 0.000 0.236 382 D C -0.498 175.795 176.300 -0.012 0.000 1.138 382 D CA 0.382 54.381 54.000 -0.001 0.000 0.676 382 D CB -1.593 39.211 40.800 0.006 0.000 1.069 382 D HN 0.262 nan 8.370 nan 0.000 0.430 383 V N 0.574 120.472 119.914 -0.028 0.000 2.465 383 V HA 0.341 4.461 4.120 -0.001 0.000 0.279 383 V C 1.012 177.001 176.094 -0.175 0.000 1.045 383 V CA 0.012 62.284 62.300 -0.046 0.000 0.938 383 V CB 2.039 33.879 31.823 0.028 0.000 0.986 383 V HN 0.077 nan 8.190 nan 0.000 0.467 384 T N 2.771 117.231 114.554 -0.156 0.000 2.925 384 T HA 0.179 4.528 4.350 -0.001 0.000 0.285 384 T C 1.280 175.784 174.700 -0.326 0.000 1.021 384 T CA -0.264 61.705 62.100 -0.219 0.000 1.042 384 T CB 1.639 70.445 68.868 -0.103 0.000 1.037 384 T HN 0.775 nan 8.240 nan 0.000 0.481 385 T N 1.911 116.214 114.554 -0.418 0.000 2.822 385 T HA -0.126 4.223 4.350 -0.001 0.000 0.270 385 T C 2.075 176.774 174.700 -0.002 0.000 1.064 385 T CA 1.874 63.742 62.100 -0.387 0.000 1.131 385 T CB -0.243 68.500 68.868 -0.209 0.000 0.858 385 T HN 0.730 nan 8.240 nan 0.000 0.483 386 S N -0.317 115.384 115.700 0.002 0.000 2.528 386 S HA 0.265 4.734 4.470 -0.001 0.000 0.219 386 S C 0.761 175.423 174.600 0.103 0.000 0.985 386 S CA -0.223 58.018 58.200 0.068 0.000 0.914 386 S CB -0.306 62.915 63.200 0.034 0.000 0.776 386 S HN 0.371 nan 8.310 nan 0.000 0.526 387 M N 1.731 121.398 119.600 0.111 0.000 2.240 387 M HA 0.202 4.682 4.480 -0.001 0.000 0.333 387 M C 1.563 177.978 176.300 0.192 0.000 1.110 387 M CA -0.101 55.279 55.300 0.133 0.000 1.173 387 M CB 0.501 33.173 32.600 0.119 0.000 1.458 387 M HN 0.170 nan 8.290 nan 0.000 0.458 388 Q N 1.075 120.965 119.800 0.150 0.000 2.124 388 Q HA -0.173 4.166 4.340 -0.001 0.000 0.202 388 Q C 1.608 177.710 176.000 0.170 0.000 0.977 388 Q CA 1.473 57.366 55.803 0.149 0.000 0.850 388 Q CB -0.278 28.526 28.738 0.110 0.000 0.901 388 Q HN 0.720 nan 8.270 nan 0.000 0.429 389 I N -2.635 118.042 120.570 0.178 0.000 3.001 389 I HA -0.138 4.031 4.170 -0.001 0.000 0.268 389 I C 1.830 178.090 176.117 0.237 0.000 1.267 389 I CA 0.907 62.316 61.300 0.180 0.000 1.472 389 I CB -0.667 37.432 38.000 0.166 0.000 1.089 389 I HN 0.259 nan 8.210 nan 0.000 0.468 390 W N 2.182 123.526 121.300 0.073 0.000 2.576 390 W HA 0.066 4.726 4.660 -0.001 0.000 0.275 390 W C 2.087 178.654 176.519 0.080 0.000 1.241 390 W CA 0.503 57.890 57.345 0.070 0.000 1.328 390 W CB 0.182 29.678 29.460 0.059 0.000 1.092 390 W HN 0.087 nan 8.180 nan 0.000 0.586 391 R N 0.016 120.624 120.500 0.180 0.000 2.128 391 R HA 0.092 4.431 4.340 -0.001 0.000 0.211 391 R C 0.096 176.478 176.300 0.136 0.000 1.067 391 R CA 0.585 56.760 56.100 0.126 0.000 1.010 391 R CB 0.097 30.529 30.300 0.219 0.000 0.922 391 R HN 0.034 nan 8.270 nan 0.000 0.457 392 E N 1.024 121.316 120.200 0.154 0.000 2.195 392 E HA 0.111 4.460 4.350 -0.001 0.000 0.271 392 E C -1.165 175.511 176.600 0.127 0.000 0.923 392 E CA -0.473 56.042 56.400 0.191 0.000 0.790 392 E CB 2.051 31.857 29.700 0.177 0.000 1.155 392 E HN 0.032 nan 8.360 nan 0.000 0.402 393 E N 2.173 122.442 120.200 0.115 0.000 2.351 393 E HA -0.008 4.341 4.350 -0.001 0.000 0.266 393 E C 0.312 176.985 176.600 0.122 0.000 1.031 393 E CA -0.187 56.243 56.400 0.049 0.000 0.911 393 E CB 0.726 30.394 29.700 -0.054 0.000 0.986 393 E HN 0.317 nan 8.360 nan 0.000 0.446 394 V N 5.458 125.457 119.914 0.141 0.000 2.446 394 V HA -0.107 4.012 4.120 -0.001 0.000 0.244 394 V C 0.897 177.151 176.094 0.266 0.000 1.039 394 V CA 0.834 63.231 62.300 0.163 0.000 1.045 394 V CB -0.685 31.215 31.823 0.129 0.000 0.681 394 V HN 0.980 nan 8.190 nan 0.000 0.459 395 F N 0.551 120.532 119.950 0.051 0.000 3.071 395 F HA -0.075 4.451 4.527 -0.001 0.000 0.295 395 F C 0.485 176.349 175.800 0.107 0.000 0.919 395 F CA 0.686 58.730 58.000 0.073 0.000 1.050 395 F CB -1.120 37.936 39.000 0.093 0.000 1.040 395 F HN 0.274 nan 8.300 nan 0.000 0.692 396 G N -0.409 108.443 108.800 0.088 0.000 2.727 396 G HA2 0.659 4.618 3.960 -0.001 0.000 0.289 396 G HA3 0.659 4.618 3.960 -0.001 0.000 0.289 396 G C -3.092 171.864 174.900 0.093 0.000 1.418 396 G CA -0.878 44.262 45.100 0.068 0.000 0.818 396 G HN -0.148 nan 8.290 nan 0.000 0.486 397 P HA 0.323 nan 4.420 nan 0.000 0.230 397 P C -0.694 176.791 177.300 0.307 0.000 1.791 397 P CA -0.112 63.141 63.100 0.255 0.000 1.020 397 P CB 0.385 32.078 31.700 -0.012 0.000 1.977 398 V N 3.852 123.969 119.914 0.339 0.000 2.525 398 V HA 0.296 4.415 4.120 -0.001 0.000 0.299 398 V C -0.190 176.058 176.094 0.258 0.000 1.034 398 V CA -0.693 61.777 62.300 0.283 0.000 0.863 398 V CB 2.844 34.763 31.823 0.159 0.000 0.999 398 V HN 0.283 nan 8.190 nan 0.000 0.423 399 L N 4.810 126.201 121.223 0.279 0.000 2.298 399 L HA 0.807 5.147 4.340 -0.001 0.000 0.284 399 L C 0.213 177.185 176.870 0.170 0.000 1.013 399 L CA -0.279 54.660 54.840 0.165 0.000 0.824 399 L CB 1.510 43.629 42.059 0.101 0.000 1.221 399 L HN 0.784 nan 8.230 nan 0.000 0.418 400 A N 5.409 128.331 122.820 0.171 0.000 2.309 400 A HA 0.642 4.962 4.320 -0.001 0.000 0.298 400 A C -0.676 177.071 177.584 0.271 0.000 1.165 400 A CA -0.399 51.780 52.037 0.237 0.000 0.821 400 A CB 1.088 20.279 19.000 0.320 0.000 1.102 400 A HN 0.495 nan 8.150 nan 0.000 0.500 401 V N 3.184 123.242 119.914 0.240 0.000 2.495 401 V HA 0.528 4.648 4.120 -0.001 0.000 0.298 401 V C 0.081 176.275 176.094 0.166 0.000 1.031 401 V CA -0.544 61.884 62.300 0.213 0.000 0.871 401 V CB 1.575 33.492 31.823 0.156 0.000 0.988 401 V HN 0.989 nan 8.190 nan 0.000 0.432 402 K N 1.441 121.945 120.400 0.173 0.000 2.466 402 K HA 0.708 5.028 4.320 -0.001 0.000 0.260 402 K C -1.016 175.635 176.600 0.086 0.000 1.011 402 K CA -0.762 55.555 56.287 0.049 0.000 0.871 402 K CB 2.627 35.057 32.500 -0.117 0.000 1.404 402 K HN 0.638 nan 8.250 nan 0.000 0.450 403 T N 1.232 115.800 114.554 0.024 0.000 2.885 403 T HA 0.679 5.029 4.350 -0.001 0.000 0.285 403 T C -1.301 173.423 174.700 0.041 0.000 1.019 403 T CA -0.567 61.523 62.100 -0.018 0.000 1.010 403 T CB 0.440 69.260 68.868 -0.080 0.000 1.022 403 T HN 0.434 nan 8.240 nan 0.000 0.466 404 F N -0.098 119.766 119.950 -0.144 0.000 2.650 404 F HA 0.735 5.261 4.527 -0.001 0.000 0.320 404 F C 0.784 176.414 175.800 -0.283 0.000 1.091 404 F CA -0.886 57.020 58.000 -0.156 0.000 0.962 404 F CB 1.127 40.060 39.000 -0.111 0.000 1.363 404 F HN 0.478 nan 8.300 nan 0.000 0.482 405 S N -1.058 114.601 115.700 -0.068 0.000 2.731 405 S HA 0.222 4.692 4.470 -0.001 0.000 0.244 405 S C 0.566 175.336 174.600 0.282 0.000 1.084 405 S CA 0.636 58.711 58.200 -0.208 0.000 0.877 405 S CB -0.444 62.683 63.200 -0.122 0.000 0.798 405 S HN 1.050 nan 8.310 nan 0.000 0.496 406 T N -0.356 114.430 114.554 0.386 0.000 2.943 406 T HA 0.515 4.864 4.350 -0.001 0.000 0.284 406 T C 0.668 175.590 174.700 0.369 0.000 1.015 406 T CA -0.510 61.806 62.100 0.360 0.000 1.042 406 T CB 1.929 70.911 68.868 0.190 0.000 1.055 406 T HN 0.225 nan 8.240 nan 0.000 0.500 407 E N 0.285 120.680 120.200 0.324 0.000 2.058 407 E HA -0.221 4.129 4.350 -0.001 0.000 0.194 407 E C 1.814 178.445 176.600 0.052 0.000 0.997 407 E CA 1.418 57.962 56.400 0.239 0.000 0.801 407 E CB -0.043 29.799 29.700 0.238 0.000 0.746 407 E HN 0.846 nan 8.360 nan 0.000 0.450 408 E N 0.746 120.984 120.200 0.063 0.000 2.160 408 E HA -0.229 4.120 4.350 -0.001 0.000 0.195 408 E C 1.780 178.379 176.600 -0.001 0.000 0.991 408 E CA 1.492 57.907 56.400 0.026 0.000 0.810 408 E CB -0.028 29.694 29.700 0.037 0.000 0.742 408 E HN 0.324 nan 8.360 nan 0.000 0.466 409 E N -0.850 119.356 120.200 0.011 0.000 2.072 409 E HA -0.138 4.211 4.350 -0.001 0.000 0.190 409 E C 1.943 178.477 176.600 -0.109 0.000 0.982 409 E CA 0.789 57.191 56.400 0.004 0.000 0.803 409 E CB -0.166 29.588 29.700 0.090 0.000 0.755 409 E HN 0.324 nan 8.360 nan 0.000 0.453 410 A N 1.191 123.786 122.820 -0.375 0.000 1.908 410 A HA -0.188 4.131 4.320 -0.001 0.000 0.218 410 A C 2.127 179.530 177.584 -0.301 0.000 1.181 410 A CA 1.361 52.968 52.037 -0.717 0.000 0.627 410 A CB -0.639 17.415 19.000 -1.576 0.000 0.818 410 A HN 0.310 nan 8.150 nan 0.000 0.445 411 I N -0.091 120.375 120.570 -0.174 0.000 2.202 411 I HA -0.252 3.918 4.170 -0.001 0.000 0.242 411 I C 2.146 178.243 176.117 -0.034 0.000 1.091 411 I CA 1.219 62.474 61.300 -0.075 0.000 1.368 411 I CB -0.488 37.490 38.000 -0.036 0.000 1.058 411 I HN 0.287 nan 8.210 nan 0.000 0.410 412 N N 0.969 119.657 118.700 -0.020 0.000 2.120 412 N HA -0.124 4.615 4.740 -0.001 0.000 0.188 412 N C 1.948 177.495 175.510 0.062 0.000 1.024 412 N CA 1.313 54.374 53.050 0.019 0.000 0.852 412 N CB -0.427 38.073 38.487 0.021 0.000 1.003 412 N HN 0.310 nan 8.380 nan 0.000 0.424 413 L N 0.454 121.722 121.223 0.074 0.000 2.093 413 L HA -0.066 4.274 4.340 -0.001 0.000 0.208 413 L C 2.351 179.354 176.870 0.222 0.000 1.085 413 L CA 1.008 55.974 54.840 0.210 0.000 0.755 413 L CB -0.443 41.741 42.059 0.208 0.000 0.904 413 L HN 0.114 nan 8.230 nan 0.000 0.435 414 A N 0.073 122.938 122.820 0.075 0.000 1.933 414 A HA -0.164 4.156 4.320 -0.001 0.000 0.218 414 A C 1.803 179.383 177.584 -0.008 0.000 1.175 414 A CA 1.670 53.715 52.037 0.014 0.000 0.628 414 A CB -0.403 18.578 19.000 -0.032 0.000 0.814 414 A HN 0.423 nan 8.150 nan 0.000 0.444 415 N N 0.230 118.935 118.700 0.009 0.000 2.336 415 N HA 0.017 4.756 4.740 -0.001 0.000 0.189 415 N C -0.306 175.218 175.510 0.024 0.000 1.113 415 N CA 0.314 53.364 53.050 -0.000 0.000 0.858 415 N CB -0.061 38.424 38.487 -0.003 0.000 0.970 415 N HN 0.433 nan 8.380 nan 0.000 0.471 416 D N 0.785 121.228 120.400 0.073 0.000 2.600 416 D HA 0.073 4.713 4.640 -0.001 0.000 0.226 416 D C -0.608 175.725 176.300 0.055 0.000 1.119 416 D CA 0.253 54.330 54.000 0.128 0.000 1.051 416 D CB -0.167 40.808 40.800 0.292 0.000 1.106 416 D HN -0.060 nan 8.370 nan 0.000 0.491 417 T N 0.413 114.961 114.554 -0.010 0.000 2.893 417 T HA 0.156 4.506 4.350 -0.001 0.000 0.337 417 T C 0.408 175.042 174.700 -0.109 0.000 1.587 417 T CA -0.688 61.343 62.100 -0.116 0.000 1.066 417 T CB 0.532 69.299 68.868 -0.169 0.000 1.414 417 T HN 0.374 nan 8.240 nan 0.000 0.488 418 H N 1.067 120.056 119.070 -0.135 0.000 2.551 418 H HA 0.408 4.964 4.556 -0.001 0.000 0.266 418 H C 0.271 175.459 175.328 -0.234 0.000 0.964 418 H CA -0.074 55.852 56.048 -0.203 0.000 1.180 418 H CB -0.352 29.246 29.762 -0.273 0.000 1.408 418 H HN 0.427 nan 8.280 nan 0.000 0.563 419 Y N 0.464 120.625 120.300 -0.231 0.000 2.286 419 Y HA 0.479 5.029 4.550 -0.001 0.000 0.347 419 Y C 1.244 177.085 175.900 -0.098 0.000 1.351 419 Y CA -0.208 57.814 58.100 -0.130 0.000 1.640 419 Y CB 1.122 39.469 38.460 -0.188 0.000 1.560 419 Y HN 0.290 nan 8.280 nan 0.000 0.574 420 G N 0.322 109.192 108.800 0.117 0.000 4.695 420 G HA2 0.177 4.137 3.960 -0.001 0.000 0.229 420 G HA3 0.177 4.137 3.960 -0.001 0.000 0.229 420 G C -0.667 174.189 174.900 -0.073 0.000 2.630 420 G CA -0.296 44.800 45.100 -0.007 0.000 0.626 420 G HN 0.450 nan 8.290 nan 0.000 0.234 421 L N 0.932 122.097 121.223 -0.097 0.000 2.228 421 L HA 0.760 5.099 4.340 -0.001 0.000 0.196 421 L C 1.418 178.095 176.870 -0.321 0.000 1.162 421 L CA 1.858 56.578 54.840 -0.198 0.000 0.801 421 L CB -0.601 41.375 42.059 -0.138 0.000 0.983 421 L HN 0.290 nan 8.230 nan 0.000 0.471 422 G N -1.103 107.557 108.800 -0.234 0.000 2.552 422 G HA2 0.584 4.543 3.960 -0.001 0.000 0.318 422 G HA3 0.584 4.543 3.960 -0.001 0.000 0.318 422 G C -1.348 173.459 174.900 -0.154 0.000 1.240 422 G CA 0.285 45.207 45.100 -0.298 0.000 1.002 422 G HN 0.723 nan 8.290 nan 0.000 0.493 423 S N -2.367 113.257 115.700 -0.127 0.000 2.586 423 S HA 0.728 5.198 4.470 -0.001 0.000 0.277 423 S C -0.964 173.701 174.600 0.109 0.000 1.131 423 S CA -0.132 58.064 58.200 -0.008 0.000 0.848 423 S CB 1.197 64.342 63.200 -0.092 0.000 1.091 423 S HN 2.274 nan 8.310 nan 0.000 0.453 424 A N 1.059 123.958 122.820 0.132 0.000 2.488 424 A HA 0.790 5.109 4.320 -0.001 0.000 0.298 424 A C -1.143 176.490 177.584 0.083 0.000 1.044 424 A CA -0.767 51.367 52.037 0.161 0.000 0.693 424 A CB 1.663 20.791 19.000 0.214 0.000 1.272 424 A HN 1.646 nan 8.150 nan 0.000 0.402 425 V N 2.356 122.311 119.914 0.068 0.000 2.448 425 V HA 0.628 4.747 4.120 -0.001 0.000 0.295 425 V C -0.475 175.662 176.094 0.072 0.000 1.025 425 V CA -0.639 61.717 62.300 0.093 0.000 0.859 425 V CB 1.427 33.304 31.823 0.090 0.000 0.988 425 V HN 0.833 nan 8.190 nan 0.000 0.431 426 M N 3.817 123.484 119.600 0.112 0.000 2.114 426 M HA 0.696 5.176 4.480 -0.001 0.000 0.332 426 M C -0.324 176.063 176.300 0.145 0.000 1.014 426 M CA -0.046 55.294 55.300 0.068 0.000 0.956 426 M CB 0.856 33.469 32.600 0.021 0.000 1.551 426 M HN 0.774 nan 8.290 nan 0.000 0.427 427 S N 2.007 117.748 115.700 0.069 0.000 2.579 427 S HA 0.358 4.828 4.470 -0.001 0.000 0.290 427 S C 0.149 174.739 174.600 -0.017 0.000 1.123 427 S CA -0.535 57.690 58.200 0.041 0.000 0.894 427 S CB 1.019 64.201 63.200 -0.031 0.000 1.095 427 S HN 0.701 nan 8.310 nan 0.000 0.450 428 N N 1.957 120.646 118.700 -0.020 0.000 2.270 428 N HA -0.011 4.728 4.740 -0.001 0.000 0.181 428 N C 0.115 175.596 175.510 -0.048 0.000 1.016 428 N CA 0.717 53.752 53.050 -0.025 0.000 0.870 428 N CB -0.212 38.267 38.487 -0.014 0.000 0.979 428 N HN 0.727 nan 8.380 nan 0.000 0.431 429 D N 0.940 121.293 120.400 -0.078 0.000 2.342 429 D HA 0.011 4.651 4.640 -0.001 0.000 0.260 429 D C 1.177 177.413 176.300 -0.106 0.000 1.278 429 D CA 0.052 53.992 54.000 -0.100 0.000 0.910 429 D CB 0.363 41.078 40.800 -0.142 0.000 1.079 429 D HN 0.091 nan 8.370 nan 0.000 0.496 430 L N 3.041 124.217 121.223 -0.078 0.000 2.240 430 L HA -0.048 4.291 4.340 -0.001 0.000 0.211 430 L C 2.144 178.967 176.870 -0.078 0.000 1.106 430 L CA 0.574 55.372 54.840 -0.070 0.000 0.793 430 L CB -0.145 41.883 42.059 -0.051 0.000 0.927 430 L HN 0.440 nan 8.230 nan 0.000 0.446 431 E N 0.173 120.324 120.200 -0.082 0.000 2.077 431 E HA -0.257 4.092 4.350 -0.001 0.000 0.193 431 E C 2.248 178.784 176.600 -0.106 0.000 0.989 431 E CA 0.958 57.309 56.400 -0.081 0.000 0.800 431 E CB -0.083 29.573 29.700 -0.074 0.000 0.746 431 E HN 0.335 nan 8.360 nan 0.000 0.452 432 R N 0.661 121.070 120.500 -0.152 0.000 2.073 432 R HA -0.155 4.184 4.340 -0.001 0.000 0.234 432 R C 2.338 178.528 176.300 -0.183 0.000 1.134 432 R CA 1.670 57.634 56.100 -0.225 0.000 0.952 432 R CB -0.390 29.674 30.300 -0.395 0.000 0.850 432 R HN 0.243 nan 8.270 nan 0.000 0.433 433 C N 0.615 119.829 119.300 -0.143 0.000 2.413 433 C HA -0.105 4.354 4.460 -0.001 0.000 0.276 433 C C 2.562 177.513 174.990 -0.065 0.000 1.236 433 C CA 1.147 60.117 59.018 -0.081 0.000 1.735 433 C CB -0.933 26.769 27.740 -0.063 0.000 2.031 433 C HN 0.643 nan 8.230 nan 0.000 0.474 434 E N 0.622 120.780 120.200 -0.070 0.000 2.077 434 E HA -0.244 4.105 4.350 -0.001 0.000 0.193 434 E C 2.429 178.994 176.600 -0.059 0.000 0.989 434 E CA 1.061 57.424 56.400 -0.061 0.000 0.800 434 E CB -0.228 29.438 29.700 -0.058 0.000 0.746 434 E HN 0.508 nan 8.360 nan 0.000 0.452 435 R N -0.085 120.377 120.500 -0.064 0.000 2.091 435 R HA -0.152 4.188 4.340 -0.001 0.000 0.238 435 R C 2.441 178.715 176.300 -0.043 0.000 1.136 435 R CA 1.380 57.447 56.100 -0.054 0.000 0.959 435 R CB -0.169 30.093 30.300 -0.063 0.000 0.856 435 R HN 0.238 nan 8.270 nan 0.000 0.437 436 L N 0.152 121.352 121.223 -0.039 0.000 2.156 436 L HA -0.117 4.223 4.340 -0.001 0.000 0.208 436 L C 2.494 179.343 176.870 -0.034 0.000 1.095 436 L CA 1.436 56.267 54.840 -0.015 0.000 0.770 436 L CB -0.236 41.844 42.059 0.035 0.000 0.914 436 L HN 0.276 nan 8.230 nan 0.000 0.439 437 S N -0.842 114.828 115.700 -0.049 0.000 2.419 437 S HA -0.194 4.276 4.470 -0.001 0.000 0.233 437 S C 1.953 176.507 174.600 -0.077 0.000 1.016 437 S CA 0.909 59.066 58.200 -0.072 0.000 0.974 437 S CB -0.258 62.895 63.200 -0.079 0.000 0.786 437 S HN 0.382 nan 8.310 nan 0.000 0.492 438 K N 1.054 121.417 120.400 -0.062 0.000 2.076 438 K HA 0.236 4.555 4.320 -0.001 0.000 0.204 438 K C 2.535 179.104 176.600 -0.052 0.000 1.051 438 K CA 0.948 57.200 56.287 -0.057 0.000 0.949 438 K CB -0.389 32.083 32.500 -0.047 0.000 0.726 438 K HN 0.480 nan 8.250 nan 0.000 0.443 439 A N 1.487 124.281 122.820 -0.044 0.000 1.968 439 A HA 0.020 4.339 4.320 -0.001 0.000 0.217 439 A C 1.073 178.631 177.584 -0.043 0.000 1.169 439 A CA 0.402 52.417 52.037 -0.036 0.000 0.638 439 A CB -0.374 18.611 19.000 -0.025 0.000 0.812 439 A HN 0.126 nan 8.150 nan 0.000 0.446 440 L N 0.988 122.179 121.223 -0.053 0.000 2.513 440 L HA 0.033 4.372 4.340 -0.001 0.000 0.272 440 L C 0.136 176.960 176.870 -0.076 0.000 1.187 440 L CA -0.053 54.748 54.840 -0.064 0.000 0.895 440 L CB 0.386 42.400 42.059 -0.076 0.000 1.147 440 L HN 0.398 nan 8.230 nan 0.000 0.483 441 Q N 3.808 123.568 119.800 -0.067 0.000 2.681 441 Q HA 0.539 4.878 4.340 -0.001 0.000 0.222 441 Q C -0.383 175.564 176.000 -0.088 0.000 1.258 441 Q CA -0.267 55.496 55.803 -0.067 0.000 1.014 441 Q CB 0.864 29.576 28.738 -0.043 0.000 1.384 441 Q HN 0.717 nan 8.270 nan 0.000 0.570 442 A N -0.096 122.649 122.820 -0.126 0.000 2.609 442 A HA 0.693 5.012 4.320 -0.001 0.000 0.291 442 A C 0.668 178.118 177.584 -0.224 0.000 1.096 442 A CA -0.386 51.546 52.037 -0.174 0.000 0.684 442 A CB 0.979 19.852 19.000 -0.212 0.000 1.282 442 A HN 0.530 nan 8.150 nan 0.000 0.412 443 G N -0.447 108.187 108.800 -0.278 0.000 2.511 443 G HA2 0.362 4.321 3.960 -0.001 0.000 0.217 443 G HA3 0.362 4.321 3.960 -0.001 0.000 0.217 443 G C 0.250 174.876 174.900 -0.456 0.000 1.133 443 G CA 0.870 45.772 45.100 -0.331 0.000 0.792 443 G HN 0.582 nan 8.290 nan 0.000 0.539 444 I N 0.380 120.607 120.570 -0.572 0.000 2.534 444 I HA 0.386 4.555 4.170 -0.001 0.000 0.288 444 I C -1.206 174.450 176.117 -0.769 0.000 1.077 444 I CA -0.910 59.922 61.300 -0.780 0.000 1.051 444 I CB 2.929 40.215 38.000 -1.191 0.000 1.234 444 I HN -0.308 nan 8.210 nan 0.000 0.425 445 V N 4.632 124.152 119.914 -0.657 0.000 2.487 445 V HA 0.421 4.540 4.120 -0.001 0.000 0.298 445 V C -0.860 174.956 176.094 -0.463 0.000 1.028 445 V CA -0.528 61.493 62.300 -0.464 0.000 0.860 445 V CB 1.822 33.494 31.823 -0.252 0.000 0.991 445 V HN 0.574 nan 8.190 nan 0.000 0.427 446 W N 4.823 126.062 121.300 -0.102 0.000 2.469 446 W HA 0.649 5.308 4.660 -0.001 0.000 0.320 446 W C -0.474 175.964 176.519 -0.135 0.000 1.086 446 W CA -0.926 56.348 57.345 -0.118 0.000 1.211 446 W CB 1.656 31.035 29.460 -0.134 0.000 1.298 446 W HN 0.384 nan 8.180 nan 0.000 0.525 447 I N 4.617 125.226 120.570 0.065 0.000 2.382 447 I HA 0.096 4.265 4.170 -0.001 0.000 0.286 447 I C 0.030 176.084 176.117 -0.106 0.000 1.002 447 I CA -0.599 60.688 61.300 -0.021 0.000 1.135 447 I CB 0.970 38.951 38.000 -0.032 0.000 1.288 447 I HN 0.446 nan 8.210 nan 0.000 0.448 448 N N 3.658 122.271 118.700 -0.145 0.000 2.741 448 N HA -0.170 4.570 4.740 -0.001 0.000 0.250 448 N C -0.613 174.503 175.510 -0.658 0.000 1.115 448 N CA 1.154 54.052 53.050 -0.253 0.000 0.724 448 N CB -1.147 37.256 38.487 -0.140 0.000 1.090 448 N HN 0.837 nan 8.380 nan 0.000 0.558 449 C N -4.043 114.786 119.300 -0.784 0.000 3.284 449 C HA 0.946 5.405 4.460 -0.001 0.000 0.348 449 C C -1.029 173.470 174.990 -0.820 0.000 1.448 449 C CA -0.494 57.544 59.018 -1.634 0.000 1.223 449 C CB 1.659 28.319 27.740 -1.799 0.000 1.588 449 C HN 0.657 nan 8.230 nan 0.000 0.451 450 A N 0.421 122.765 122.820 -0.793 0.000 2.456 450 A HA 0.733 5.052 4.320 -0.001 0.000 0.288 450 A C -0.157 177.000 177.584 -0.713 0.000 1.042 450 A CA 0.152 51.815 52.037 -0.623 0.000 0.738 450 A CB 0.997 19.902 19.000 -0.158 0.000 1.266 450 A HN 1.499 nan 8.150 nan 0.000 0.407 451 Q N -1.863 116.848 119.800 -1.815 0.000 4.421 451 Q HA -0.098 4.241 4.340 -0.001 0.000 0.222 451 Q C -2.171 173.635 176.000 -0.324 0.000 0.800 451 Q CA 1.427 56.647 55.803 -0.972 0.000 0.996 451 Q CB -2.938 25.671 28.738 -0.215 0.000 0.725 451 Q HN 0.663 nan 8.270 nan 0.000 1.098 452 P HA 0.126 nan 4.420 nan 0.000 0.262 452 P C -0.372 177.044 177.300 0.193 0.000 1.182 452 P CA 0.766 63.817 63.100 -0.082 0.000 0.761 452 P CB 0.516 32.151 31.700 -0.108 0.000 0.795 453 S N 2.967 118.647 115.700 -0.034 0.000 2.622 453 S HA 0.491 4.960 4.470 -0.001 0.000 0.283 453 S C -0.504 173.980 174.600 -0.192 0.000 1.197 453 S CA -0.777 57.445 58.200 0.037 0.000 1.146 453 S CB -0.416 62.632 63.200 -0.253 0.000 1.007 453 S HN 0.083 nan 8.310 nan 0.000 0.478 454 F N 2.300 122.286 119.950 0.059 0.000 2.412 454 F HA 0.311 4.838 4.527 -0.001 0.000 0.348 454 F C 1.648 177.331 175.800 -0.195 0.000 1.102 454 F CA -1.272 56.697 58.000 -0.052 0.000 1.196 454 F CB 0.599 39.583 39.000 -0.027 0.000 1.144 454 F HN 0.554 nan 8.300 nan 0.000 0.541 455 I N -0.675 119.816 120.570 -0.132 0.000 2.916 455 I HA -0.141 4.028 4.170 -0.001 0.000 0.267 455 I C 1.439 177.200 176.117 -0.593 0.000 1.263 455 I CA 1.194 62.238 61.300 -0.427 0.000 1.471 455 I CB -0.849 36.864 38.000 -0.477 0.000 1.089 455 I HN 0.542 nan 8.210 nan 0.000 0.468 456 Q N 1.581 121.147 119.800 -0.389 0.000 2.389 456 Q HA 0.360 4.700 4.340 -0.001 0.000 0.204 456 Q C 0.925 176.905 176.000 -0.034 0.000 0.944 456 Q CA 0.889 56.523 55.803 -0.282 0.000 0.908 456 Q CB 0.024 28.682 28.738 -0.134 0.000 1.002 456 Q HN 0.690 nan 8.270 nan 0.000 0.493 457 A N 1.685 124.494 122.820 -0.018 0.000 2.317 457 A HA 0.566 4.885 4.320 -0.001 0.000 0.327 457 A C -2.474 175.084 177.584 -0.043 0.000 1.178 457 A CA -1.902 50.135 52.037 -0.000 0.000 0.817 457 A CB 0.422 19.442 19.000 0.034 0.000 1.189 457 A HN -0.060 nan 8.150 nan 0.000 0.489 458 P HA 0.067 nan 4.420 nan 0.000 0.268 458 P C -0.880 176.328 177.300 -0.153 0.000 1.205 458 P CA 0.140 63.057 63.100 -0.304 0.000 0.771 458 P CB 0.560 31.616 31.700 -1.074 0.000 0.858 459 W N 3.570 124.717 121.300 -0.256 0.000 2.781 459 W HA 0.559 5.219 4.660 -0.001 0.000 0.333 459 W C -0.986 175.463 176.519 -0.117 0.000 1.047 459 W CA 0.052 57.282 57.345 -0.192 0.000 1.236 459 W CB 2.476 31.805 29.460 -0.217 0.000 1.394 459 W HN 0.745 nan 8.180 nan 0.000 0.466 460 G N 1.823 110.392 108.800 -0.385 0.000 2.316 460 G HA2 0.439 4.398 3.960 -0.001 0.000 0.296 460 G HA3 0.439 4.398 3.960 -0.001 0.000 0.296 460 G C -1.461 173.259 174.900 -0.300 0.000 1.399 460 G CA -0.145 44.828 45.100 -0.211 0.000 0.833 460 G HN 0.743 nan 8.290 nan 0.000 0.565 461 G N -1.250 107.456 108.800 -0.156 0.000 2.735 461 G HA2 0.897 4.857 3.960 -0.001 0.000 0.301 461 G HA3 0.897 4.857 3.960 -0.001 0.000 0.301 461 G C -0.115 174.756 174.900 -0.048 0.000 1.279 461 G CA -0.224 44.797 45.100 -0.132 0.000 1.019 461 G HN 1.494 nan 8.290 nan 0.000 0.497 462 I N -3.422 117.129 120.570 -0.032 0.000 3.264 462 I HA 0.796 4.965 4.170 -0.001 0.000 0.309 462 I C 0.397 176.545 176.117 0.052 0.000 1.099 462 I CA -1.065 60.245 61.300 0.017 0.000 0.989 462 I CB 1.824 39.812 38.000 -0.019 0.000 1.250 462 I HN 0.699 nan 8.210 nan 0.000 0.478 463 K N 0.143 120.580 120.400 0.062 0.000 1.939 463 K HA -0.266 4.053 4.320 -0.001 0.000 0.165 463 K C 0.843 177.506 176.600 0.105 0.000 1.508 463 K CA 1.963 58.290 56.287 0.067 0.000 0.525 463 K CB -0.814 31.710 32.500 0.040 0.000 0.615 463 K HN 0.651 nan 8.250 nan 0.000 0.888 464 R N 0.791 121.348 120.500 0.095 0.000 2.313 464 R HA 0.098 4.438 4.340 -0.001 0.000 0.199 464 R C 1.313 177.757 176.300 0.239 0.000 0.958 464 R CA 0.564 56.738 56.100 0.123 0.000 1.047 464 R CB 0.053 30.373 30.300 0.034 0.000 0.955 464 R HN 0.273 nan 8.270 nan 0.000 0.481 465 S N -0.001 115.840 115.700 0.234 0.000 2.562 465 S HA 0.148 4.618 4.470 -0.001 0.000 0.221 465 S C 0.896 175.547 174.600 0.085 0.000 0.975 465 S CA 0.566 58.878 58.200 0.187 0.000 0.918 465 S CB 0.548 63.811 63.200 0.105 0.000 0.772 465 S HN 0.693 nan 8.310 nan 0.000 0.531 466 G N 1.153 110.008 108.800 0.090 0.000 2.378 466 G HA2 0.075 4.035 3.960 -0.001 0.000 0.198 466 G HA3 0.075 4.035 3.960 -0.001 0.000 0.198 466 G C -0.979 173.979 174.900 0.098 0.000 1.223 466 G CA -0.466 44.629 45.100 -0.008 0.000 1.088 466 G HN 0.675 nan 8.290 nan 0.000 0.530 467 F N -2.179 117.801 119.950 0.049 0.000 2.713 467 F HA 0.803 5.329 4.527 -0.001 0.000 0.311 467 F C 0.469 176.291 175.800 0.038 0.000 1.141 467 F CA -0.129 57.888 58.000 0.028 0.000 0.939 467 F CB 1.269 40.284 39.000 0.025 0.000 1.325 467 F HN 2.520 nan 8.300 nan 0.000 0.453 468 G N 1.510 110.478 108.800 0.281 0.000 2.690 468 G HA2 0.273 4.232 3.960 -0.001 0.000 0.686 468 G HA3 0.273 4.232 3.960 -0.001 0.000 0.686 468 G C -1.838 173.119 174.900 0.096 0.000 1.277 468 G CA -1.234 43.970 45.100 0.174 0.000 0.799 468 G HN 0.810 nan 8.290 nan 0.000 0.613 469 R N 0.511 121.077 120.500 0.110 0.000 2.561 469 R HA 0.632 4.971 4.340 -0.001 0.000 0.297 469 R C -0.027 176.364 176.300 0.151 0.000 0.969 469 R CA -0.848 55.309 56.100 0.095 0.000 0.879 469 R CB 2.047 32.359 30.300 0.019 0.000 1.178 469 R HN 0.755 nan 8.270 nan 0.000 0.445 470 E N 1.428 121.723 120.200 0.158 0.000 2.254 470 E HA 0.618 4.967 4.350 -0.001 0.000 0.258 470 E C -0.244 176.402 176.600 0.077 0.000 1.033 470 E CA -0.587 55.895 56.400 0.137 0.000 0.893 470 E CB 0.863 30.655 29.700 0.152 0.000 1.204 470 E HN 0.409 nan 8.360 nan 0.000 0.425 471 L N -0.085 121.149 121.223 0.017 0.000 0.585 471 L HA -0.250 4.090 4.340 -0.001 0.000 0.356 471 L C 0.857 177.865 176.870 0.229 0.000 0.973 471 L CA 0.665 55.493 54.840 -0.020 0.000 1.223 471 L CB -1.584 40.248 42.059 -0.378 0.000 0.012 471 L HN 0.974 nan 8.230 nan 0.000 0.091 472 G N 0.611 109.500 108.800 0.149 0.000 2.598 472 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.269 472 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.269 472 G C 0.404 175.584 174.900 0.466 0.000 1.289 472 G CA 0.701 45.998 45.100 0.328 0.000 0.926 472 G HN 0.916 nan 8.290 nan 0.000 0.567 473 E N -0.237 120.167 120.200 0.339 0.000 2.418 473 E HA -0.009 4.340 4.350 -0.001 0.000 0.197 473 E C 2.015 178.637 176.600 0.037 0.000 1.026 473 E CA 0.748 57.201 56.400 0.088 0.000 0.862 473 E CB 0.032 29.617 29.700 -0.191 0.000 0.799 473 E HN 0.561 nan 8.360 nan 0.000 0.518 474 W N 0.622 121.997 121.300 0.124 0.000 2.388 474 W HA -0.030 4.629 4.660 -0.001 0.000 0.294 474 W C 2.307 178.888 176.519 0.103 0.000 1.212 474 W CA 1.035 58.432 57.345 0.087 0.000 1.271 474 W CB -0.585 28.908 29.460 0.056 0.000 1.126 474 W HN 0.204 nan 8.180 nan 0.000 0.535 475 G N 0.994 110.035 108.800 0.403 0.000 2.476 475 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.218 475 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.218 475 G C 1.592 176.650 174.900 0.263 0.000 1.164 475 G CA 0.785 46.073 45.100 0.312 0.000 0.768 475 G HN 0.132 nan 8.290 nan 0.000 0.560 476 L N -0.053 121.357 121.223 0.312 0.000 2.017 476 L HA -0.051 4.289 4.340 -0.001 0.000 0.208 476 L C 2.975 179.932 176.870 0.145 0.000 1.073 476 L CA 1.399 56.376 54.840 0.230 0.000 0.745 476 L CB -0.302 41.884 42.059 0.212 0.000 0.894 476 L HN 0.209 nan 8.230 nan 0.000 0.432 477 E N -0.212 120.031 120.200 0.071 0.000 2.160 477 E HA -0.272 4.078 4.350 -0.001 0.000 0.195 477 E C 1.756 178.346 176.600 -0.017 0.000 0.991 477 E CA 0.864 57.269 56.400 0.009 0.000 0.810 477 E CB -0.495 29.177 29.700 -0.048 0.000 0.742 477 E HN 0.548 nan 8.360 nan 0.000 0.466 478 N N -0.361 118.292 118.700 -0.078 0.000 2.272 478 N HA -0.183 4.556 4.740 -0.001 0.000 0.185 478 N C 0.527 175.730 175.510 -0.512 0.000 1.014 478 N CA 0.826 53.684 53.050 -0.320 0.000 0.870 478 N CB 0.075 38.264 38.487 -0.496 0.000 0.975 478 N HN 0.229 nan 8.380 nan 0.000 0.433 479 Y N -0.087 120.243 120.300 0.050 0.000 2.584 479 Y HA 0.390 4.940 4.550 -0.001 0.000 0.254 479 Y C -0.056 175.867 175.900 0.039 0.000 1.177 479 Y CA -0.330 57.796 58.100 0.044 0.000 1.216 479 Y CB 0.611 39.090 38.460 0.032 0.000 1.172 479 Y HN -0.099 nan 8.280 nan 0.000 0.529 480 L N 0.304 121.589 121.223 0.102 0.000 2.333 480 L HA 0.598 4.937 4.340 -0.001 0.000 0.269 480 L C 0.046 176.942 176.870 0.043 0.000 1.010 480 L CA -0.985 53.898 54.840 0.071 0.000 0.818 480 L CB 2.091 44.179 42.059 0.049 0.000 1.306 480 L HN 0.007 nan 8.230 nan 0.000 0.430 481 S N 0.897 116.621 115.700 0.039 0.000 2.568 481 S HA 0.701 5.171 4.470 -0.001 0.000 0.302 481 S C -0.775 173.837 174.600 0.019 0.000 1.082 481 S CA -0.732 57.485 58.200 0.027 0.000 1.009 481 S CB 2.017 65.235 63.200 0.030 0.000 1.069 481 S HN 0.223 nan 8.310 nan 0.000 0.500 482 V N 2.838 122.759 119.914 0.011 0.000 2.383 482 V HA 0.464 4.583 4.120 -0.001 0.000 0.275 482 V C 0.212 176.309 176.094 0.006 0.000 1.036 482 V CA -0.514 61.790 62.300 0.008 0.000 0.889 482 V CB 0.951 32.774 31.823 -0.000 0.000 0.985 482 V HN 0.940 nan 8.190 nan 0.000 0.459 483 K N 4.925 125.332 120.400 0.012 0.000 2.339 483 K HA 0.371 4.691 4.320 -0.001 0.000 0.264 483 K C -0.250 176.344 176.600 -0.010 0.000 0.986 483 K CA -0.528 55.760 56.287 0.003 0.000 0.866 483 K CB 1.221 33.729 32.500 0.013 0.000 1.103 483 K HN 0.769 nan 8.250 nan 0.000 0.441 484 Q N 3.703 123.481 119.800 -0.037 0.000 2.296 484 Q HA 0.182 4.522 4.340 -0.001 0.000 0.262 484 Q C -1.224 174.701 176.000 -0.125 0.000 0.981 484 Q CA -0.417 55.343 55.803 -0.071 0.000 0.905 484 Q CB 1.094 29.790 28.738 -0.069 0.000 1.186 484 Q HN 0.398 nan 8.270 nan 0.000 0.399 485 V N 4.476 124.246 119.914 -0.240 0.000 2.350 485 V HA 0.336 4.455 4.120 -0.001 0.000 0.285 485 V C -0.461 175.386 176.094 -0.411 0.000 1.014 485 V CA -0.551 61.526 62.300 -0.371 0.000 0.831 485 V CB 1.676 33.131 31.823 -0.614 0.000 1.000 485 V HN 0.798 nan 8.190 nan 0.000 0.433 486 T N 5.766 120.191 114.554 -0.215 0.000 2.812 486 T HA 0.566 4.915 4.350 -0.001 0.000 0.282 486 T C -0.356 174.341 174.700 -0.005 0.000 0.990 486 T CA -0.528 61.509 62.100 -0.104 0.000 0.960 486 T CB 1.519 70.342 68.868 -0.074 0.000 0.948 486 T HN 0.657 nan 8.240 nan 0.000 0.438 487 R N 2.206 122.748 120.500 0.070 0.000 2.599 487 R HA 0.438 4.777 4.340 -0.001 0.000 0.295 487 R C -1.615 174.785 176.300 0.168 0.000 0.963 487 R CA -0.793 55.364 56.100 0.095 0.000 0.883 487 R CB 1.135 31.453 30.300 0.030 0.000 1.171 487 R HN 0.610 nan 8.270 nan 0.000 0.450 488 Y N 3.506 123.749 120.300 -0.095 0.000 2.404 488 Y HA 0.126 4.675 4.550 -0.001 0.000 0.344 488 Y C 0.765 176.502 175.900 -0.272 0.000 0.995 488 Y CA 0.065 57.916 58.100 -0.414 0.000 1.201 488 Y CB 1.421 39.641 38.460 -0.400 0.000 1.151 488 Y HN 0.761 nan 8.280 nan 0.000 0.517 489 T N 0.010 114.224 114.554 -0.567 0.000 3.022 489 T HA 0.133 4.482 4.350 -0.001 0.000 0.250 489 T C 0.765 175.158 174.700 -0.512 0.000 1.060 489 T CA 0.240 62.103 62.100 -0.395 0.000 1.013 489 T CB -0.126 68.611 68.868 -0.218 0.000 0.982 489 T HN 0.466 nan 8.240 nan 0.000 0.508 490 S N 0.493 115.638 115.700 -0.925 0.000 2.584 490 S HA 0.198 4.667 4.470 -0.001 0.000 0.273 490 S C 0.523 174.797 174.600 -0.544 0.000 1.311 490 S CA -0.576 57.212 58.200 -0.686 0.000 1.034 490 S CB 0.662 63.476 63.200 -0.643 0.000 0.939 490 S HN 0.273 nan 8.310 nan 0.000 0.513 491 D N 1.208 121.468 120.400 -0.234 0.000 2.339 491 D HA 0.076 4.716 4.640 -0.001 0.000 0.217 491 D C -0.165 176.139 176.300 0.006 0.000 1.050 491 D CA 0.282 54.226 54.000 -0.094 0.000 0.856 491 D CB 0.341 41.106 40.800 -0.059 0.000 0.922 491 D HN 0.548 nan 8.370 nan 0.000 0.518 492 E N 1.686 121.906 120.200 0.033 0.000 2.366 492 E HA 0.230 4.579 4.350 -0.001 0.000 0.266 492 E C -2.071 174.682 176.600 0.254 0.000 1.051 492 E CA -1.992 54.486 56.400 0.129 0.000 0.884 492 E CB 0.180 29.958 29.700 0.129 0.000 1.006 492 E HN 0.034 nan 8.360 nan 0.000 0.417 493 P HA -0.049 nan 4.420 nan 0.000 0.270 493 P C 0.681 178.190 177.300 0.348 0.000 1.223 493 P CA -0.152 63.101 63.100 0.254 0.000 0.785 493 P CB 0.559 32.363 31.700 0.173 0.000 0.923 494 W N 2.447 123.813 121.300 0.111 0.000 2.363 494 W HA -0.115 4.545 4.660 -0.000 0.000 0.296 494 W C 0.929 177.527 176.519 0.131 0.000 1.212 494 W CA 1.085 58.474 57.345 0.074 0.000 1.260 494 W CB -0.230 29.244 29.460 0.024 0.000 1.131 494 W HN 0.681 nan 8.180 nan 0.000 0.530 495 G N 0.378 109.258 108.800 0.133 0.000 2.221 495 G HA2 -0.363 3.596 3.960 -0.001 0.000 0.265 495 G HA3 -0.363 3.596 3.960 -0.001 0.000 0.265 495 G C 0.289 175.130 174.900 -0.098 0.000 1.041 495 G CA 0.276 45.375 45.100 -0.002 0.000 0.807 495 G HN 0.607 nan 8.290 nan 0.000 0.502 496 W N -0.756 120.359 121.300 -0.308 0.000 2.574 496 W HA 0.301 4.960 4.660 -0.002 0.000 0.282 496 W C 0.066 176.388 176.519 -0.328 0.000 1.197 496 W CA 0.574 57.673 57.345 -0.410 0.000 1.376 496 W CB 0.406 29.556 29.460 -0.516 0.000 1.091 496 W HN 0.195 nan 8.180 nan 0.000 0.569 497 Y N 2.407 122.728 120.300 0.034 0.000 2.376 497 Y HA 0.201 4.750 4.550 -0.001 0.000 0.325 497 Y C 0.543 176.411 175.900 -0.054 0.000 1.199 497 Y CA -0.480 57.590 58.100 -0.050 0.000 1.206 497 Y CB 0.437 38.952 38.460 0.092 0.000 1.229 497 Y HN -0.200 nan 8.280 nan 0.000 0.480 498 Q N 3.987 123.847 119.800 0.101 0.000 2.286 498 Q HA 0.204 4.543 4.340 -0.001 0.000 0.267 498 Q C -2.231 173.813 176.000 0.072 0.000 1.028 498 Q CA -1.700 54.130 55.803 0.045 0.000 0.901 498 Q CB -0.028 28.715 28.738 0.007 0.000 1.183 498 Q HN 0.409 nan 8.270 nan 0.000 0.392 499 P HA 0.182 nan 4.420 nan 0.000 0.269 499 P C -2.225 175.094 177.300 0.031 0.000 1.209 499 P CA -0.940 62.192 63.100 0.055 0.000 0.776 499 P CB -0.313 31.418 31.700 0.053 0.000 0.876 500 P HA 0.039 nan 4.420 nan 0.000 0.271 500 P C 0.726 178.034 177.300 0.013 0.000 1.218 500 P CA -0.189 62.919 63.100 0.013 0.000 0.780 500 P CB 0.640 32.344 31.700 0.008 0.000 0.901 501 S N 1.692 117.397 115.700 0.008 0.000 2.387 501 S HA 0.013 4.483 4.470 -0.001 0.000 0.221 501 S C 0.919 175.522 174.600 0.007 0.000 1.041 501 S CA 0.144 58.349 58.200 0.007 0.000 0.959 501 S CB -0.376 62.826 63.200 0.004 0.000 0.843 501 S HN 0.368 nan 8.310 nan 0.000 0.488 502 K N 0.000 120.403 120.400 0.005 0.000 2.780 502 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 502 K CA 0.000 56.289 56.287 0.004 0.000 0.838 502 K CB 0.000 32.501 32.500 0.002 0.000 1.064 502 K HN 0.000 nan 8.250 nan 0.000 0.543