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 1nxg_1_B DATA FIRST_RESID 1001 DATA SEQUENCE ADTKAKLTLN GDTAVELDVL KGTLGQDVID IRTLGSKGVF TFDPGFTSTA DATA SEQUENCE SCESKITFID GDEGILLHRG FPIDQLATDS NYLEVCYILL NGEKPTQEQY DATA SEQUENCE DEFKTTVTRH TMIHEQITRL FHAFRRDSHP MAVMCGITGA LAAFYHDSLD DATA SEQUENCE VNNPRHREIA AFRLLSKMPT MAAMCYKYSI GQPFVYPRND LSYAGNFLNM DATA SEQUENCE MFSTPCEPYE VNPILERAMD RILILHADHE QNASTSTVRT AGSSGANPFA DATA SEQUENCE CIAAGIASLW GPAHGGANEA ALKMLEEISS VKHIPEFFRR AKDKNDSFRL DATA SEQUENCE MGFGHRVYKN YDPRATVMRE TCHEVLKELG TKDDLLEVAM ELENIALNDP DATA SEQUENCE YFIEKKLYPN VDFYSGIILK AMGIPSSMFT VIAAMARTVG WIAHWSEMHS DATA SEQUENCE DGMKIARPRQ LYTGYEKRDF KSDIKR 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 1001 A HA 0.000 nan 4.320 nan 0.000 0.244 1001 A C 0.000 177.583 177.584 -0.002 0.000 1.274 1001 A CA 0.000 52.034 52.037 -0.005 0.000 0.836 1001 A CB 0.000 18.996 19.000 -0.007 0.000 0.831 1002 D N 0.444 120.844 120.400 -0.001 0.000 3.051 1002 D HA 0.098 4.738 4.640 0.000 0.000 0.216 1002 D C 1.034 177.335 176.300 0.002 0.000 1.454 1002 D CA 1.045 55.046 54.000 0.001 0.000 1.400 1002 D CB 0.881 41.683 40.800 0.003 0.000 0.975 1002 D HN 0.328 nan 8.370 nan 0.000 0.212 1003 T N 1.042 115.598 114.554 0.004 0.000 3.312 1003 T HA 0.099 4.450 4.350 0.000 0.000 0.251 1003 T C 0.656 175.359 174.700 0.004 0.000 1.012 1003 T CA -0.169 61.933 62.100 0.005 0.000 0.925 1003 T CB -0.293 68.579 68.868 0.007 0.000 1.049 1003 T HN 0.019 nan 8.240 nan 0.000 0.583 1004 K N 0.481 120.882 120.400 0.001 0.000 2.555 1004 K HA 0.200 4.521 4.320 0.000 0.000 0.193 1004 K C 1.746 178.346 176.600 -0.000 0.000 1.032 1004 K CA 0.497 56.784 56.287 -0.000 0.000 1.004 1004 K CB -0.356 32.142 32.500 -0.003 0.000 0.804 1004 K HN 0.513 nan 8.250 nan 0.000 0.496 1005 A N 2.057 124.877 122.820 0.001 0.000 1.974 1005 A HA 0.029 4.349 4.320 0.000 0.000 0.219 1005 A C 0.903 178.489 177.584 0.003 0.000 1.479 1005 A CA 1.159 53.197 52.037 0.001 0.000 0.615 1005 A CB 0.121 19.122 19.000 0.001 0.000 1.130 1005 A HN 0.335 nan 8.150 nan 0.000 0.497 1006 K N -2.085 118.317 120.400 0.004 0.000 2.544 1006 K HA 0.656 4.976 4.320 0.000 0.000 0.282 1006 K C -1.420 175.184 176.600 0.007 0.000 1.020 1006 K CA -0.546 55.745 56.287 0.006 0.000 0.830 1006 K CB 0.642 33.145 32.500 0.005 0.000 1.521 1006 K HN 0.842 nan 8.250 nan 0.000 0.376 1007 L N -2.552 118.676 121.223 0.009 0.000 2.720 1007 L HA 0.768 5.108 4.340 0.000 0.000 0.261 1007 L C -1.491 175.386 176.870 0.011 0.000 1.046 1007 L CA -0.633 54.214 54.840 0.010 0.000 0.886 1007 L CB 2.188 44.255 42.059 0.013 0.000 1.493 1007 L HN 0.940 nan 8.230 nan 0.000 0.407 1008 T N -0.421 114.140 114.554 0.011 0.000 2.952 1008 T HA 0.681 5.031 4.350 0.000 0.000 0.305 1008 T C -1.233 173.475 174.700 0.013 0.000 1.064 1008 T CA -0.531 61.575 62.100 0.011 0.000 1.008 1008 T CB 1.673 70.546 68.868 0.008 0.000 1.078 1008 T HN 0.866 nan 8.240 nan 0.000 0.459 1009 L N 2.880 124.112 121.223 0.014 0.000 2.295 1009 L HA 0.636 4.976 4.340 0.000 0.000 0.285 1009 L C -0.901 175.975 176.870 0.010 0.000 1.035 1009 L CA -0.396 54.453 54.840 0.016 0.000 0.806 1009 L CB 1.059 43.130 42.059 0.021 0.000 1.214 1009 L HN 0.752 nan 8.230 nan 0.000 0.426 1010 N N 3.719 122.424 118.700 0.009 0.000 2.399 1010 N HA 0.402 5.142 4.740 0.000 0.000 0.280 1010 N C 0.122 175.634 175.510 0.003 0.000 1.008 1010 N CA -0.024 53.029 53.050 0.004 0.000 0.894 1010 N CB 2.108 40.598 38.487 0.004 0.000 1.273 1010 N HN 0.856 nan 8.380 nan 0.000 0.486 1011 G N 0.145 108.944 108.800 -0.002 0.000 2.727 1011 G HA2 0.016 3.976 3.960 0.000 0.000 0.203 1011 G HA3 0.016 3.976 3.960 0.000 0.000 0.203 1011 G C 0.483 175.379 174.900 -0.007 0.000 1.117 1011 G CA 0.305 45.402 45.100 -0.005 0.000 0.817 1011 G HN 0.511 nan 8.290 nan 0.000 0.553 1012 D N -0.828 119.568 120.400 -0.007 0.000 2.520 1012 D HA 0.140 4.780 4.640 0.000 0.000 0.386 1012 D C -0.378 175.918 176.300 -0.006 0.000 1.267 1012 D CA 0.296 54.292 54.000 -0.007 0.000 0.958 1012 D CB 1.452 42.246 40.800 -0.009 0.000 1.462 1012 D HN 0.218 nan 8.370 nan 0.000 0.438 1013 T N 0.048 114.599 114.554 -0.005 0.000 2.749 1013 T HA 0.552 4.902 4.350 0.000 0.000 0.310 1013 T C -1.145 173.554 174.700 -0.002 0.000 1.496 1013 T CA -0.646 61.452 62.100 -0.004 0.000 1.006 1013 T CB 1.916 70.781 68.868 -0.005 0.000 1.457 1013 T HN 0.005 nan 8.240 nan 0.000 0.497 1014 A N 1.099 123.919 122.820 -0.000 0.000 2.328 1014 A HA 0.693 5.013 4.320 0.000 0.000 0.284 1014 A C -0.461 177.124 177.584 0.002 0.000 1.160 1014 A CA -0.436 51.602 52.037 0.002 0.000 0.818 1014 A CB 0.127 19.128 19.000 0.002 0.000 1.087 1014 A HN 0.672 nan 8.150 nan 0.000 0.504 1015 V N 3.885 123.801 119.914 0.005 0.000 2.380 1015 V HA 0.223 4.343 4.120 0.000 0.000 0.286 1015 V C -0.219 175.881 176.094 0.009 0.000 1.015 1015 V CA -0.545 61.759 62.300 0.006 0.000 0.834 1015 V CB 1.061 32.889 31.823 0.007 0.000 1.009 1015 V HN 1.005 nan 8.190 nan 0.000 0.428 1016 E N 4.906 125.111 120.200 0.008 0.000 2.338 1016 E HA 0.604 4.954 4.350 0.000 0.000 0.272 1016 E C -0.990 175.617 176.600 0.012 0.000 1.029 1016 E CA -0.253 56.152 56.400 0.009 0.000 0.872 1016 E CB 1.450 31.154 29.700 0.007 0.000 1.015 1016 E HN 0.499 nan 8.360 nan 0.000 0.417 1017 L N 2.490 123.721 121.223 0.013 0.000 2.370 1017 L HA 0.373 4.713 4.340 0.000 0.000 0.266 1017 L C -0.176 176.701 176.870 0.012 0.000 1.002 1017 L CA -1.209 53.640 54.840 0.015 0.000 0.818 1017 L CB 1.734 43.805 42.059 0.020 0.000 1.325 1017 L HN 0.423 nan 8.230 nan 0.000 0.418 1018 D N 0.601 121.007 120.400 0.011 0.000 2.398 1018 D HA 0.278 4.918 4.640 0.000 0.000 0.247 1018 D C -0.425 175.880 176.300 0.009 0.000 1.227 1018 D CA -0.053 53.952 54.000 0.008 0.000 0.980 1018 D CB 1.975 42.779 40.800 0.006 0.000 1.106 1018 D HN 0.166 nan 8.370 nan 0.000 0.493 1019 V N 2.214 122.132 119.914 0.007 0.000 2.558 1019 V HA 0.113 4.234 4.120 0.000 0.000 0.261 1019 V C -1.132 174.965 176.094 0.004 0.000 0.958 1019 V CA -0.748 61.557 62.300 0.007 0.000 0.852 1019 V CB 0.215 32.043 31.823 0.008 0.000 1.067 1019 V HN 0.254 nan 8.190 nan 0.000 0.468 1020 L N 4.140 125.365 121.223 0.004 0.000 2.506 1020 L HA 0.330 4.670 4.340 0.000 0.000 0.281 1020 L C 0.547 177.418 176.870 0.001 0.000 1.228 1020 L CA 0.894 55.735 54.840 0.000 0.000 0.850 1020 L CB -0.102 41.957 42.059 -0.000 0.000 1.110 1020 L HN 0.584 nan 8.230 nan 0.000 0.496 1021 K N 1.144 121.542 120.400 -0.004 0.000 2.324 1021 K HA 0.617 4.938 4.320 0.000 0.000 0.253 1021 K C 0.063 176.655 176.600 -0.013 0.000 0.932 1021 K CA -0.622 55.661 56.287 -0.007 0.000 0.799 1021 K CB 2.066 34.559 32.500 -0.012 0.000 1.154 1021 K HN 0.766 nan 8.250 nan 0.000 0.425 1022 G N -0.079 108.713 108.800 -0.013 0.000 2.437 1022 G HA2 0.172 4.132 3.960 0.000 0.000 0.319 1022 G HA3 0.172 4.132 3.960 0.000 0.000 0.319 1022 G C 0.981 175.846 174.900 -0.058 0.000 1.158 1022 G CA -0.552 44.534 45.100 -0.023 0.000 0.899 1022 G HN 0.642 nan 8.290 nan 0.000 0.502 1023 T N -1.271 113.233 114.554 -0.083 0.000 3.007 1023 T HA 0.113 4.463 4.350 0.000 0.000 0.270 1023 T C 0.768 175.349 174.700 -0.198 0.000 1.107 1023 T CA 0.733 62.762 62.100 -0.119 0.000 1.118 1023 T CB -0.246 68.551 68.868 -0.119 0.000 0.889 1023 T HN 0.190 nan 8.240 nan 0.000 0.506 1024 L N -0.488 120.578 121.223 -0.261 0.000 2.424 1024 L HA 0.620 4.960 4.340 0.000 0.000 0.258 1024 L C 0.882 177.608 176.870 -0.241 0.000 0.995 1024 L CA -0.478 54.067 54.840 -0.492 0.000 0.821 1024 L CB 1.921 43.254 42.059 -1.211 0.000 1.383 1024 L HN 0.437 nan 8.230 nan 0.000 0.410 1025 G N 1.391 110.140 108.800 -0.084 0.000 2.601 1025 G HA2 -0.173 3.787 3.960 0.000 0.000 0.252 1025 G HA3 -0.173 3.787 3.960 0.000 0.000 0.252 1025 G C -0.669 174.295 174.900 0.107 0.000 1.294 1025 G CA -0.557 44.683 45.100 0.233 0.000 0.912 1025 G HN 0.495 nan 8.290 nan 0.000 0.574 1026 Q N 1.057 120.925 119.800 0.114 0.000 2.299 1026 Q HA 0.400 4.740 4.340 0.000 0.000 0.246 1026 Q C -0.107 175.921 176.000 0.047 0.000 0.935 1026 Q CA -0.265 55.575 55.803 0.063 0.000 0.887 1026 Q CB 0.965 29.735 28.738 0.054 0.000 1.223 1026 Q HN 0.592 nan 8.270 nan 0.000 0.439 1027 D N 0.405 120.822 120.400 0.029 0.000 2.423 1027 D HA 0.481 5.121 4.640 0.000 0.000 0.255 1027 D C -0.013 176.300 176.300 0.021 0.000 1.174 1027 D CA -0.406 53.606 54.000 0.020 0.000 1.008 1027 D CB 1.011 41.818 40.800 0.011 0.000 1.101 1027 D HN 0.314 nan 8.370 nan 0.000 0.516 1028 V N -2.903 117.021 119.914 0.017 0.000 3.130 1028 V HA 0.582 4.703 4.120 0.000 0.000 0.310 1028 V C -0.470 175.633 176.094 0.015 0.000 1.158 1028 V CA -1.058 61.253 62.300 0.018 0.000 1.029 1028 V CB 1.677 33.510 31.823 0.017 0.000 1.057 1028 V HN 0.383 nan 8.190 nan 0.000 0.436 1029 I N 1.992 122.573 120.570 0.018 0.000 2.291 1029 I HA 0.300 4.471 4.170 0.000 0.000 0.290 1029 I C -0.203 175.925 176.117 0.019 0.000 1.050 1029 I CA -0.126 61.186 61.300 0.019 0.000 1.245 1029 I CB 0.957 38.971 38.000 0.024 0.000 1.405 1029 I HN 0.693 nan 8.210 nan 0.000 0.478 1030 D N 7.749 128.158 120.400 0.015 0.000 2.368 1030 D HA 0.023 4.663 4.640 0.000 0.000 0.268 1030 D C 0.686 176.999 176.300 0.021 0.000 1.298 1030 D CA 0.392 54.400 54.000 0.013 0.000 0.938 1030 D CB 0.589 41.395 40.800 0.009 0.000 1.101 1030 D HN 0.550 nan 8.370 nan 0.000 0.509 1031 I N 0.693 121.278 120.570 0.025 0.000 3.947 1031 I HA 0.251 4.421 4.170 0.000 0.000 0.327 1031 I C 1.497 177.639 176.117 0.041 0.000 1.519 1031 I CA -0.704 60.619 61.300 0.039 0.000 1.122 1031 I CB 0.363 38.395 38.000 0.052 0.000 1.146 1031 I HN 0.023 nan 8.210 nan 0.000 0.442 1032 R N 1.703 122.218 120.500 0.025 0.000 2.094 1032 R HA -0.143 4.198 4.340 0.000 0.000 0.239 1032 R C 2.035 178.356 176.300 0.035 0.000 1.137 1032 R CA 2.416 58.527 56.100 0.019 0.000 0.943 1032 R CB -0.822 29.481 30.300 0.005 0.000 0.850 1032 R HN 0.640 nan 8.270 nan 0.000 0.433 1033 T N -1.018 113.557 114.554 0.036 0.000 3.194 1033 T HA 0.137 4.488 4.350 0.000 0.000 0.251 1033 T C 1.752 176.489 174.700 0.063 0.000 1.132 1033 T CA 0.110 62.237 62.100 0.044 0.000 1.028 1033 T CB -0.070 68.815 68.868 0.029 0.000 0.976 1033 T HN 0.096 nan 8.240 nan 0.000 0.535 1034 L N 0.868 122.139 121.223 0.080 0.000 2.042 1034 L HA 0.005 4.345 4.340 0.000 0.000 0.210 1034 L C 3.007 179.963 176.870 0.144 0.000 1.076 1034 L CA 1.636 56.535 54.840 0.099 0.000 0.749 1034 L CB -1.025 41.108 42.059 0.123 0.000 0.893 1034 L HN 0.527 nan 8.230 nan 0.000 0.432 1035 G N -0.681 108.260 108.800 0.234 0.000 2.462 1035 G HA2 -0.267 3.693 3.960 0.000 0.000 0.220 1035 G HA3 -0.267 3.693 3.960 0.000 0.000 0.220 1035 G C 1.411 176.441 174.900 0.216 0.000 1.121 1035 G CA 0.846 46.189 45.100 0.405 0.000 0.758 1035 G HN 0.525 nan 8.290 nan 0.000 0.559 1036 S N -0.921 114.850 115.700 0.118 0.000 2.954 1036 S HA 0.277 4.747 4.470 0.000 0.000 0.234 1036 S C 1.070 175.691 174.600 0.036 0.000 0.978 1036 S CA 0.418 58.659 58.200 0.069 0.000 1.045 1036 S CB 0.008 63.237 63.200 0.048 0.000 0.807 1036 S HN 0.459 nan 8.310 nan 0.000 0.508 1037 K N -1.103 119.308 120.400 0.019 0.000 2.613 1037 K HA 0.315 4.635 4.320 0.000 0.000 0.209 1037 K C 1.123 177.663 176.600 -0.100 0.000 1.556 1037 K CA 0.299 56.571 56.287 -0.026 0.000 1.017 1037 K CB 0.777 33.267 32.500 -0.018 0.000 1.291 1037 K HN 0.338 nan 8.250 nan 0.000 0.629 1038 G N 1.440 110.138 108.800 -0.170 0.000 2.241 1038 G HA2 -0.267 3.693 3.960 0.000 0.000 0.244 1038 G HA3 -0.267 3.693 3.960 0.000 0.000 0.244 1038 G C -0.001 174.422 174.900 -0.796 0.000 0.998 1038 G CA 0.179 45.002 45.100 -0.462 0.000 0.621 1038 G HN 0.186 nan 8.290 nan 0.000 0.519 1039 V N 2.337 122.017 119.914 -0.389 0.000 2.439 1039 V HA 0.642 4.762 4.120 0.000 0.000 0.271 1039 V C 0.136 176.190 176.094 -0.066 0.000 1.040 1039 V CA -0.306 61.844 62.300 -0.249 0.000 1.002 1039 V CB -0.186 31.594 31.823 -0.071 0.000 1.000 1039 V HN 0.247 nan 8.190 nan 0.000 0.477 1040 F N 4.106 124.088 119.950 0.052 0.000 2.575 1040 F HA 0.659 5.186 4.527 0.000 0.000 0.330 1040 F C 0.582 176.435 175.800 0.088 0.000 1.056 1040 F CA -0.969 57.073 58.000 0.070 0.000 0.964 1040 F CB 2.447 41.497 39.000 0.084 0.000 1.258 1040 F HN 0.500 nan 8.300 nan 0.000 0.484 1041 T N -1.013 113.733 114.554 0.320 0.000 2.855 1041 T HA 0.502 4.852 4.350 0.000 0.000 0.281 1041 T C -1.151 173.706 174.700 0.262 0.000 1.007 1041 T CA -0.582 61.658 62.100 0.234 0.000 1.009 1041 T CB 1.695 70.660 68.868 0.162 0.000 0.983 1041 T HN 0.446 nan 8.240 nan 0.000 0.455 1042 F N 2.065 122.067 119.950 0.087 0.000 2.415 1042 F HA 0.583 5.110 4.527 0.000 0.000 0.348 1042 F C -0.470 175.343 175.800 0.022 0.000 1.119 1042 F CA -0.378 57.654 58.000 0.053 0.000 1.069 1042 F CB 1.216 40.239 39.000 0.039 0.000 1.124 1042 F HN 0.741 nan 8.300 nan 0.000 0.472 1043 D N 7.229 127.270 120.400 -0.598 0.000 2.668 1043 D HA 0.258 4.898 4.640 0.000 0.000 0.234 1043 D C -2.909 172.957 176.300 -0.723 0.000 1.349 1043 D CA -1.097 52.602 54.000 -0.501 0.000 0.889 1043 D CB 0.940 41.652 40.800 -0.146 0.000 1.520 1043 D HN 0.115 nan 8.370 nan 0.000 0.521 1044 P HA 0.403 nan 4.420 nan 0.000 0.271 1044 P C 0.995 177.934 177.300 -0.603 0.000 1.220 1044 P CA 0.495 63.168 63.100 -0.712 0.000 0.768 1044 P CB 1.232 32.630 31.700 -0.502 0.000 0.848 1045 G N 2.599 110.941 108.800 -0.764 0.000 2.241 1045 G HA2 -0.336 3.624 3.960 0.000 0.000 0.244 1045 G HA3 -0.336 3.624 3.960 0.000 0.000 0.244 1045 G C 0.613 175.327 174.900 -0.311 0.000 0.998 1045 G CA -0.041 44.788 45.100 -0.451 0.000 0.621 1045 G HN 0.485 nan 8.290 nan 0.000 0.519 1046 F N -0.128 119.761 119.950 -0.102 0.000 3.093 1046 F HA -0.287 4.241 4.527 0.000 0.000 0.283 1046 F C 2.027 177.791 175.800 -0.061 0.000 0.848 1046 F CA 1.815 59.767 58.000 -0.081 0.000 1.059 1046 F CB -2.353 36.605 39.000 -0.069 0.000 1.191 1046 F HN 0.671 nan 8.300 nan 0.000 0.514 1047 T N -4.946 109.623 114.554 0.025 0.000 3.227 1047 T HA 0.125 4.475 4.350 0.000 0.000 0.257 1047 T C 0.970 175.681 174.700 0.019 0.000 1.162 1047 T CA 0.978 63.087 62.100 0.014 0.000 1.051 1047 T CB 0.100 68.954 68.868 -0.023 0.000 0.953 1047 T HN 0.318 nan 8.240 nan 0.000 0.535 1048 S N 0.183 115.905 115.700 0.038 0.000 3.082 1048 S HA 0.260 4.730 4.470 0.000 0.000 0.253 1048 S C -0.304 174.332 174.600 0.060 0.000 0.961 1048 S CA -0.591 57.630 58.200 0.035 0.000 1.129 1048 S CB 0.942 64.156 63.200 0.023 0.000 1.083 1048 S HN 0.509 nan 8.310 nan 0.000 0.605 1049 T N 2.422 117.030 114.554 0.091 0.000 2.965 1049 T HA 0.530 4.880 4.350 0.000 0.000 0.306 1049 T C -0.268 174.458 174.700 0.043 0.000 0.991 1049 T CA -0.459 61.696 62.100 0.091 0.000 1.001 1049 T CB 1.498 70.476 68.868 0.184 0.000 0.984 1049 T HN 0.251 nan 8.240 nan 0.000 0.446 1050 A N 2.407 125.236 122.820 0.014 0.000 2.438 1050 A HA 0.436 4.757 4.320 0.000 0.000 0.280 1050 A C 1.502 179.056 177.584 -0.049 0.000 1.160 1050 A CA -0.308 51.726 52.037 -0.006 0.000 0.821 1050 A CB -0.085 18.918 19.000 0.004 0.000 1.101 1050 A HN 0.939 nan 8.150 nan 0.000 0.515 1051 S N 1.061 116.714 115.700 -0.079 0.000 2.489 1051 S HA 0.131 4.602 4.470 0.000 0.000 0.228 1051 S C 0.752 175.293 174.600 -0.098 0.000 0.995 1051 S CA 0.442 58.555 58.200 -0.145 0.000 0.934 1051 S CB -1.394 61.691 63.200 -0.191 0.000 0.771 1051 S HN 1.910 nan 8.310 nan 0.000 0.522 1052 C N -0.879 118.391 119.300 -0.049 0.000 3.176 1052 C HA 0.668 5.129 4.460 0.000 0.000 0.343 1052 C C -1.409 173.577 174.990 -0.007 0.000 1.332 1052 C CA -1.179 57.820 59.018 -0.033 0.000 1.200 1052 C CB 0.825 28.550 27.740 -0.025 0.000 1.440 1052 C HN 0.459 nan 8.230 nan 0.000 0.458 1053 E N 1.421 121.617 120.200 -0.007 0.000 2.133 1053 E HA 0.628 4.978 4.350 0.000 0.000 0.274 1053 E C -0.456 176.149 176.600 0.008 0.000 0.930 1053 E CA 0.146 56.548 56.400 0.004 0.000 0.770 1053 E CB 1.397 31.093 29.700 -0.006 0.000 1.104 1053 E HN 0.823 nan 8.360 nan 0.000 0.403 1054 S N 3.229 118.946 115.700 0.028 0.000 2.677 1054 S HA 0.494 4.964 4.470 0.000 0.000 0.304 1054 S C -0.110 174.505 174.600 0.025 0.000 1.108 1054 S CA -0.578 57.636 58.200 0.024 0.000 0.944 1054 S CB 1.120 64.355 63.200 0.059 0.000 1.127 1054 S HN 0.617 nan 8.310 nan 0.000 0.511 1055 K N 1.039 121.442 120.400 0.004 0.000 2.585 1055 K HA 0.313 4.633 4.320 0.000 0.000 0.210 1055 K C 1.015 177.625 176.600 0.017 0.000 1.294 1055 K CA 0.114 56.407 56.287 0.011 0.000 1.025 1055 K CB 0.204 32.697 32.500 -0.013 0.000 1.076 1055 K HN 0.456 nan 8.250 nan 0.000 0.613 1056 I N 1.003 121.566 120.570 -0.011 0.000 2.162 1056 I HA -0.083 4.088 4.170 0.000 0.000 0.238 1056 I C 0.545 176.728 176.117 0.110 0.000 1.076 1056 I CA 1.127 62.417 61.300 -0.017 0.000 1.353 1056 I CB 0.146 38.030 38.000 -0.192 0.000 1.063 1056 I HN -0.091 nan 8.210 nan 0.000 0.408 1057 T N 1.014 115.668 114.554 0.165 0.000 2.848 1057 T HA 0.404 4.755 4.350 0.000 0.000 0.285 1057 T C -1.147 173.699 174.700 0.243 0.000 0.995 1057 T CA -0.295 61.972 62.100 0.279 0.000 0.970 1057 T CB 1.882 70.977 68.868 0.377 0.000 0.976 1057 T HN -0.015 nan 8.240 nan 0.000 0.441 1058 F N 4.340 124.353 119.950 0.104 0.000 2.469 1058 F HA 0.798 5.325 4.527 0.000 0.000 0.332 1058 F C -1.093 174.745 175.800 0.064 0.000 1.103 1058 F CA -0.915 57.122 58.000 0.061 0.000 0.979 1058 F CB 0.698 39.715 39.000 0.029 0.000 1.137 1058 F HN 0.435 nan 8.300 nan 0.000 0.463 1059 I N 4.360 124.209 120.570 -1.200 0.000 2.828 1059 I HA 0.330 4.500 4.170 0.000 0.000 0.302 1059 I C -1.641 173.874 176.117 -1.003 0.000 1.101 1059 I CA -0.873 59.944 61.300 -0.804 0.000 1.031 1059 I CB 2.299 40.059 38.000 -0.400 0.000 1.231 1059 I HN 0.451 nan 8.210 nan 0.000 0.427 1060 D N 2.780 122.922 120.400 -0.430 0.000 2.336 1060 D HA 0.275 4.915 4.640 0.000 0.000 0.248 1060 D C 0.754 177.005 176.300 -0.081 0.000 1.326 1060 D CA -0.294 53.591 54.000 -0.192 0.000 0.973 1060 D CB 1.831 42.647 40.800 0.027 0.000 1.255 1060 D HN 0.711 nan 8.370 nan 0.000 0.558 1061 G N 2.768 111.474 108.800 -0.156 0.000 2.514 1061 G HA2 -0.293 3.667 3.960 0.000 0.000 0.217 1061 G HA3 -0.293 3.667 3.960 0.000 0.000 0.217 1061 G C 1.070 175.956 174.900 -0.024 0.000 1.198 1061 G CA 0.838 45.852 45.100 -0.142 0.000 0.780 1061 G HN 0.476 nan 8.290 nan 0.000 0.565 1062 D N 0.608 120.983 120.400 -0.041 0.000 2.117 1062 D HA -0.065 4.575 4.640 0.000 0.000 0.197 1062 D C 2.301 178.561 176.300 -0.066 0.000 0.987 1062 D CA 0.801 54.775 54.000 -0.042 0.000 0.829 1062 D CB -0.171 40.621 40.800 -0.013 0.000 0.961 1062 D HN 0.254 nan 8.370 nan 0.000 0.460 1063 E N -0.053 120.133 120.200 -0.023 0.000 2.427 1063 E HA 0.040 4.390 4.350 0.000 0.000 0.196 1063 E C 1.198 177.766 176.600 -0.052 0.000 1.028 1063 E CA 0.503 56.904 56.400 0.002 0.000 0.864 1063 E CB 0.086 29.819 29.700 0.056 0.000 0.813 1063 E HN 0.337 nan 8.360 nan 0.000 0.514 1064 G N 1.789 110.514 108.800 -0.124 0.000 2.221 1064 G HA2 -0.238 3.723 3.960 0.000 0.000 0.265 1064 G HA3 -0.238 3.723 3.960 0.000 0.000 0.265 1064 G C 0.135 174.990 174.900 -0.076 0.000 1.041 1064 G CA 0.006 44.941 45.100 -0.276 0.000 0.807 1064 G HN 0.137 nan 8.290 nan 0.000 0.502 1065 I N 0.318 120.938 120.570 0.083 0.000 2.315 1065 I HA 0.544 4.714 4.170 0.000 0.000 0.291 1065 I C 0.109 176.298 176.117 0.119 0.000 1.006 1065 I CA -1.193 60.162 61.300 0.093 0.000 1.265 1065 I CB 1.244 39.325 38.000 0.135 0.000 1.387 1065 I HN 0.166 nan 8.210 nan 0.000 0.475 1066 L N 8.760 130.023 121.223 0.067 0.000 2.362 1066 L HA 0.658 4.998 4.340 0.000 0.000 0.275 1066 L C -1.300 175.545 176.870 -0.041 0.000 0.998 1066 L CA -0.252 54.610 54.840 0.038 0.000 0.820 1066 L CB 1.545 43.615 42.059 0.018 0.000 1.270 1066 L HN 0.391 nan 8.230 nan 0.000 0.415 1067 L N 4.630 125.837 121.223 -0.027 0.000 2.422 1067 L HA 0.557 4.897 4.340 0.000 0.000 0.264 1067 L C -1.304 175.583 176.870 0.028 0.000 0.984 1067 L CA -0.852 53.996 54.840 0.014 0.000 0.819 1067 L CB 2.188 44.365 42.059 0.198 0.000 1.330 1067 L HN 0.537 nan 8.230 nan 0.000 0.410 1068 H N 4.476 123.647 119.070 0.169 0.000 2.860 1068 H HA 0.400 4.956 4.556 0.000 0.000 0.312 1068 H C -0.329 175.117 175.328 0.196 0.000 0.995 1068 H CA -0.698 55.443 56.048 0.155 0.000 1.311 1068 H CB 1.440 31.279 29.762 0.128 0.000 1.478 1068 H HN 0.460 nan 8.280 nan 0.000 0.508 1069 R N 1.774 122.414 120.500 0.234 0.000 3.770 1069 R HA -0.211 4.129 4.340 0.000 0.000 0.305 1069 R C 1.155 177.409 176.300 -0.076 0.000 1.184 1069 R CA 0.949 57.121 56.100 0.120 0.000 0.823 1069 R CB -2.202 28.241 30.300 0.238 0.000 1.285 1069 R HN 1.132 nan 8.270 nan 0.000 0.499 1070 G N -0.944 107.837 108.800 -0.031 0.000 2.336 1070 G HA2 -0.365 3.595 3.960 0.000 0.000 0.233 1070 G HA3 -0.365 3.595 3.960 0.000 0.000 0.233 1070 G C 0.269 175.089 174.900 -0.134 0.000 1.053 1070 G CA 0.216 45.224 45.100 -0.153 0.000 0.625 1070 G HN 0.270 nan 8.290 nan 0.000 0.511 1071 F N 3.383 123.357 119.950 0.040 0.000 2.541 1071 F HA 0.439 4.967 4.527 0.000 0.000 0.378 1071 F C -1.435 174.369 175.800 0.007 0.000 1.068 1071 F CA -1.527 56.487 58.000 0.024 0.000 1.199 1071 F CB 0.492 39.511 39.000 0.031 0.000 1.091 1071 F HN -0.070 nan 8.300 nan 0.000 0.555 1072 P HA -0.080 nan 4.420 nan 0.000 0.267 1072 P C 0.894 178.213 177.300 0.031 0.000 1.200 1072 P CA -0.006 63.133 63.100 0.066 0.000 0.772 1072 P CB 0.668 32.400 31.700 0.053 0.000 0.855 1073 I N 2.689 123.226 120.570 -0.056 0.000 2.208 1073 I HA -0.260 3.910 4.170 0.000 0.000 0.245 1073 I C 1.356 177.458 176.117 -0.026 0.000 1.097 1073 I CA 1.935 63.184 61.300 -0.085 0.000 1.363 1073 I CB -0.625 37.283 38.000 -0.153 0.000 1.051 1073 I HN 0.282 nan 8.210 nan 0.000 0.413 1074 D N -0.075 120.310 120.400 -0.026 0.000 2.218 1074 D HA -0.168 4.472 4.640 0.000 0.000 0.204 1074 D C 2.199 178.495 176.300 -0.007 0.000 0.976 1074 D CA 0.920 54.907 54.000 -0.022 0.000 0.853 1074 D CB -0.067 40.716 40.800 -0.029 0.000 0.939 1074 D HN 0.564 nan 8.370 nan 0.000 0.481 1075 Q N -0.368 119.438 119.800 0.011 0.000 2.096 1075 Q HA 0.009 4.349 4.340 0.000 0.000 0.197 1075 Q C 2.434 178.429 176.000 -0.009 0.000 0.964 1075 Q CA 0.581 56.392 55.803 0.013 0.000 0.838 1075 Q CB 0.105 28.875 28.738 0.054 0.000 0.906 1075 Q HN 0.321 nan 8.270 nan 0.000 0.444 1076 L N 0.245 121.467 121.223 -0.001 0.000 2.044 1076 L HA -0.064 4.276 4.340 0.000 0.000 0.205 1076 L C 2.425 179.290 176.870 -0.007 0.000 1.075 1076 L CA 0.853 55.678 54.840 -0.023 0.000 0.747 1076 L CB -0.633 41.439 42.059 0.023 0.000 0.903 1076 L HN 0.134 nan 8.230 nan 0.000 0.435 1077 A N -0.821 122.004 122.820 0.009 0.000 2.234 1077 A HA -0.123 4.198 4.320 0.000 0.000 0.216 1077 A C 2.042 179.627 177.584 0.003 0.000 1.167 1077 A CA 2.070 54.114 52.037 0.012 0.000 0.698 1077 A CB -0.579 18.423 19.000 0.003 0.000 0.779 1077 A HN 0.489 nan 8.150 nan 0.000 0.475 1078 T N -1.691 112.858 114.554 -0.008 0.000 3.174 1078 T HA 0.063 4.413 4.350 0.000 0.000 0.252 1078 T C 0.685 175.373 174.700 -0.019 0.000 0.984 1078 T CA 0.392 62.485 62.100 -0.011 0.000 1.113 1078 T CB 0.016 68.876 68.868 -0.015 0.000 1.088 1078 T HN 0.377 nan 8.240 nan 0.000 0.442 1079 D N 1.759 122.139 120.400 -0.033 0.000 2.336 1079 D HA 0.343 4.984 4.640 0.000 0.000 0.228 1079 D C 0.366 176.620 176.300 -0.076 0.000 1.120 1079 D CA 0.239 54.210 54.000 -0.050 0.000 0.839 1079 D CB 0.638 41.407 40.800 -0.051 0.000 0.932 1079 D HN 0.218 nan 8.370 nan 0.000 0.509 1080 S N -0.046 115.614 115.700 -0.066 0.000 2.840 1080 S HA 0.493 4.963 4.470 0.000 0.000 0.307 1080 S C -1.242 173.339 174.600 -0.032 0.000 1.180 1080 S CA -0.825 57.324 58.200 -0.086 0.000 0.846 1080 S CB 1.600 64.728 63.200 -0.119 0.000 1.233 1080 S HN 0.315 nan 8.310 nan 0.000 0.548 1081 N N -0.796 117.896 118.700 -0.014 0.000 2.761 1081 N HA 0.339 5.079 4.740 0.000 0.000 0.283 1081 N C 0.105 175.657 175.510 0.071 0.000 1.377 1081 N CA -0.715 52.371 53.050 0.060 0.000 0.791 1081 N CB 0.643 39.193 38.487 0.106 0.000 1.540 1081 N HN 0.561 nan 8.380 nan 0.000 0.539 1082 Y N 0.569 120.850 120.300 -0.031 0.000 2.145 1082 Y HA -0.045 4.505 4.550 0.000 0.000 0.286 1082 Y C 2.014 177.854 175.900 -0.101 0.000 1.145 1082 Y CA 1.494 59.525 58.100 -0.116 0.000 1.148 1082 Y CB -0.234 38.074 38.460 -0.253 0.000 0.981 1082 Y HN 0.515 nan 8.280 nan 0.000 0.507 1083 L N 0.013 121.236 121.223 -0.001 0.000 2.083 1083 L HA -0.218 4.122 4.340 0.000 0.000 0.209 1083 L C 2.485 179.407 176.870 0.088 0.000 1.083 1083 L CA 2.013 56.902 54.840 0.081 0.000 0.752 1083 L CB -0.648 41.581 42.059 0.284 0.000 0.899 1083 L HN 0.317 nan 8.230 nan 0.000 0.433 1084 E N 0.077 120.350 120.200 0.123 0.000 2.150 1084 E HA -0.155 4.195 4.350 0.000 0.000 0.193 1084 E C 2.139 178.679 176.600 -0.101 0.000 0.985 1084 E CA 0.843 57.264 56.400 0.034 0.000 0.814 1084 E CB 0.258 29.915 29.700 -0.071 0.000 0.752 1084 E HN 0.254 nan 8.360 nan 0.000 0.466 1085 V N 0.047 119.865 119.914 -0.161 0.000 2.488 1085 V HA -0.224 3.896 4.120 0.000 0.000 0.246 1085 V C 2.366 178.290 176.094 -0.282 0.000 1.046 1085 V CA 1.156 63.334 62.300 -0.204 0.000 1.053 1085 V CB -0.136 31.578 31.823 -0.183 0.000 0.679 1085 V HN 0.529 nan 8.190 nan 0.000 0.458 1086 C N -0.859 118.201 119.300 -0.401 0.000 2.432 1086 C HA -0.174 4.286 4.460 0.000 0.000 0.277 1086 C C 2.628 177.404 174.990 -0.356 0.000 1.249 1086 C CA 1.184 59.957 59.018 -0.409 0.000 1.725 1086 C CB -0.902 26.605 27.740 -0.387 0.000 2.028 1086 C HN 0.693 nan 8.230 nan 0.000 0.477 1087 Y N 1.370 121.324 120.300 -0.576 0.000 2.207 1087 Y HA -0.182 4.368 4.550 0.000 0.000 0.287 1087 Y C 2.115 177.784 175.900 -0.385 0.000 1.156 1087 Y CA 1.636 59.274 58.100 -0.770 0.000 1.182 1087 Y CB -0.348 37.657 38.460 -0.758 0.000 0.979 1087 Y HN 0.319 nan 8.280 nan 0.000 0.521 1088 I N -0.762 119.760 120.570 -0.080 0.000 2.202 1088 I HA -0.322 3.848 4.170 0.000 0.000 0.242 1088 I C 2.250 178.324 176.117 -0.073 0.000 1.091 1088 I CA 1.212 62.505 61.300 -0.012 0.000 1.368 1088 I CB -0.417 37.579 38.000 -0.006 0.000 1.058 1088 I HN 0.201 nan 8.210 nan 0.000 0.410 1089 L N 0.092 121.232 121.223 -0.138 0.000 2.046 1089 L HA -0.211 4.130 4.340 0.000 0.000 0.208 1089 L C 2.427 179.198 176.870 -0.165 0.000 1.077 1089 L CA 1.352 56.105 54.840 -0.145 0.000 0.747 1089 L CB -0.407 41.531 42.059 -0.201 0.000 0.896 1089 L HN 0.268 nan 8.230 nan 0.000 0.432 1090 L N -0.692 120.389 121.223 -0.236 0.000 2.179 1090 L HA -0.059 4.281 4.340 0.000 0.000 0.208 1090 L C 1.590 178.292 176.870 -0.280 0.000 1.096 1090 L CA 0.757 55.448 54.840 -0.248 0.000 0.779 1090 L CB -0.199 41.682 42.059 -0.297 0.000 0.922 1090 L HN 0.356 nan 8.230 nan 0.000 0.443 1091 N N -0.969 117.510 118.700 -0.369 0.000 2.171 1091 N HA 0.119 4.859 4.740 0.000 0.000 0.212 1091 N C 1.370 176.814 175.510 -0.110 0.000 1.184 1091 N CA 0.929 53.789 53.050 -0.317 0.000 0.888 1091 N CB 1.534 39.615 38.487 -0.675 0.000 1.038 1091 N HN 0.291 nan 8.380 nan 0.000 0.517 1092 G N 0.974 109.742 108.800 -0.053 0.000 2.284 1092 G HA2 -0.244 3.716 3.960 0.000 0.000 0.261 1092 G HA3 -0.244 3.716 3.960 0.000 0.000 0.261 1092 G C -0.015 174.960 174.900 0.126 0.000 0.997 1092 G CA 0.497 45.615 45.100 0.030 0.000 0.621 1092 G HN 0.329 nan 8.290 nan 0.000 0.534 1093 E N 0.100 120.402 120.200 0.170 0.000 2.393 1093 E HA 0.417 4.767 4.350 0.000 0.000 0.273 1093 E C -0.042 176.713 176.600 0.259 0.000 0.918 1093 E CA -0.755 55.796 56.400 0.251 0.000 0.773 1093 E CB 1.331 31.140 29.700 0.183 0.000 1.275 1093 E HN 0.595 nan 8.360 nan 0.000 0.451 1094 K N 1.285 121.802 120.400 0.195 0.000 2.368 1094 K HA 0.285 4.605 4.320 0.000 0.000 0.282 1094 K C -2.127 174.432 176.600 -0.069 0.000 1.035 1094 K CA -1.145 55.124 56.287 -0.030 0.000 0.973 1094 K CB -0.013 32.384 32.500 -0.171 0.000 0.957 1094 K HN 0.091 nan 8.250 nan 0.000 0.474 1095 P HA -0.027 nan 4.420 nan 0.000 0.271 1095 P C -0.591 176.544 177.300 -0.275 0.000 1.233 1095 P CA -0.232 62.514 63.100 -0.590 0.000 0.789 1095 P CB 0.582 31.677 31.700 -1.009 0.000 0.951 1096 T N 0.851 115.277 114.554 -0.214 0.000 2.927 1096 T HA 0.092 4.442 4.350 0.000 0.000 0.281 1096 T C 1.288 175.951 174.700 -0.062 0.000 0.998 1096 T CA -0.147 61.896 62.100 -0.095 0.000 1.019 1096 T CB 1.056 69.900 68.868 -0.041 0.000 1.061 1096 T HN 0.350 nan 8.240 nan 0.000 0.518 1097 Q N 1.190 120.973 119.800 -0.028 0.000 2.096 1097 Q HA -0.201 4.139 4.340 0.000 0.000 0.204 1097 Q C 2.092 178.135 176.000 0.072 0.000 0.982 1097 Q CA 2.349 58.164 55.803 0.020 0.000 0.850 1097 Q CB -0.239 28.503 28.738 0.008 0.000 0.901 1097 Q HN 0.846 nan 8.270 nan 0.000 0.422 1098 E N -0.855 119.371 120.200 0.042 0.000 2.152 1098 E HA -0.180 4.171 4.350 0.000 0.000 0.192 1098 E C 1.931 178.567 176.600 0.060 0.000 0.983 1098 E CA 1.189 57.621 56.400 0.052 0.000 0.818 1098 E CB -0.282 29.442 29.700 0.040 0.000 0.758 1098 E HN 0.454 nan 8.360 nan 0.000 0.467 1099 Q N -0.244 119.574 119.800 0.030 0.000 2.020 1099 Q HA -0.158 4.182 4.340 0.000 0.000 0.198 1099 Q C 2.006 178.014 176.000 0.013 0.000 0.974 1099 Q CA 1.521 57.334 55.803 0.018 0.000 0.829 1099 Q CB -0.383 28.287 28.738 -0.113 0.000 0.894 1099 Q HN 0.451 nan 8.270 nan 0.000 0.433 1100 Y N 2.238 122.415 120.300 -0.205 0.000 2.128 1100 Y HA -0.279 4.271 4.550 0.000 0.000 0.284 1100 Y C 1.696 177.646 175.900 0.084 0.000 1.154 1100 Y CA 1.842 59.869 58.100 -0.123 0.000 1.149 1100 Y CB -0.121 38.243 38.460 -0.160 0.000 0.976 1100 Y HN 0.096 nan 8.280 nan 0.000 0.505 1101 D N 0.155 120.594 120.400 0.064 0.000 2.144 1101 D HA -0.199 4.441 4.640 0.000 0.000 0.199 1101 D C 2.028 178.311 176.300 -0.028 0.000 0.984 1101 D CA 1.552 55.542 54.000 -0.018 0.000 0.834 1101 D CB -0.288 40.569 40.800 0.095 0.000 0.955 1101 D HN 0.610 nan 8.370 nan 0.000 0.465 1102 E N -0.469 119.759 120.200 0.045 0.000 2.112 1102 E HA -0.127 4.223 4.350 0.000 0.000 0.190 1102 E C 1.983 178.640 176.600 0.094 0.000 0.979 1102 E CA 0.225 56.661 56.400 0.060 0.000 0.814 1102 E CB -0.093 29.662 29.700 0.092 0.000 0.762 1102 E HN 0.219 nan 8.360 nan 0.000 0.460 1103 F N 2.105 122.081 119.950 0.044 0.000 2.113 1103 F HA -0.121 4.406 4.527 0.000 0.000 0.297 1103 F C 2.417 178.257 175.800 0.067 0.000 1.103 1103 F CA 1.758 59.862 58.000 0.173 0.000 1.248 1103 F CB -0.121 39.085 39.000 0.343 0.000 0.999 1103 F HN -0.135 nan 8.300 nan 0.000 0.475 1104 K N -0.343 120.058 120.400 0.003 0.000 2.009 1104 K HA -0.187 4.134 4.320 0.000 0.000 0.210 1104 K C 2.013 178.560 176.600 -0.088 0.000 1.049 1104 K CA 2.122 58.324 56.287 -0.142 0.000 0.929 1104 K CB -0.588 31.640 32.500 -0.454 0.000 0.714 1104 K HN 0.255 nan 8.250 nan 0.000 0.440 1105 T N 0.566 115.070 114.554 -0.083 0.000 2.607 1105 T HA -0.145 4.206 4.350 0.000 0.000 0.267 1105 T C 1.777 176.433 174.700 -0.073 0.000 1.049 1105 T CA 2.216 64.280 62.100 -0.060 0.000 1.162 1105 T CB -0.539 68.300 68.868 -0.047 0.000 0.863 1105 T HN 0.416 nan 8.240 nan 0.000 0.424 1106 T N 1.737 116.216 114.554 -0.124 0.000 2.803 1106 T HA -0.079 4.271 4.350 0.000 0.000 0.269 1106 T C 2.089 176.760 174.700 -0.049 0.000 1.052 1106 T CA 0.848 62.856 62.100 -0.152 0.000 1.136 1106 T CB -0.461 68.123 68.868 -0.474 0.000 0.864 1106 T HN 0.174 nan 8.240 nan 0.000 0.467 1107 V N 2.155 122.026 119.914 -0.071 0.000 2.358 1107 V HA -0.163 3.957 4.120 0.000 0.000 0.246 1107 V C 3.031 179.174 176.094 0.083 0.000 1.047 1107 V CA 2.098 64.430 62.300 0.054 0.000 1.035 1107 V CB -1.273 30.580 31.823 0.050 0.000 0.658 1107 V HN 0.717 nan 8.190 nan 0.000 0.452 1108 T N -1.115 113.463 114.554 0.039 0.000 2.857 1108 T HA -0.174 4.176 4.350 0.000 0.000 0.266 1108 T C 1.870 176.554 174.700 -0.026 0.000 1.048 1108 T CA 0.939 63.052 62.100 0.021 0.000 1.139 1108 T CB -0.390 68.489 68.868 0.019 0.000 0.874 1108 T HN 0.404 nan 8.240 nan 0.000 0.455 1109 R N 0.364 120.818 120.500 -0.076 0.000 2.339 1109 R HA 0.079 4.419 4.340 0.000 0.000 0.199 1109 R C 1.054 177.115 176.300 -0.399 0.000 1.018 1109 R CA 0.679 56.648 56.100 -0.218 0.000 1.036 1109 R CB -0.110 30.021 30.300 -0.282 0.000 0.899 1109 R HN 0.605 nan 8.270 nan 0.000 0.473 1110 H N -1.005 118.039 119.070 -0.043 0.000 2.567 1110 H HA 0.098 4.654 4.556 0.000 0.000 0.267 1110 H C 1.199 176.522 175.328 -0.009 0.000 1.148 1110 H CA 0.312 56.340 56.048 -0.034 0.000 1.031 1110 H CB 0.928 30.659 29.762 -0.052 0.000 1.691 1110 H HN 0.195 nan 8.280 nan 0.000 0.588 1111 T N -1.999 112.586 114.554 0.052 0.000 2.915 1111 T HA 0.002 4.352 4.350 0.000 0.000 0.269 1111 T C 1.180 175.900 174.700 0.033 0.000 1.071 1111 T CA 0.405 62.522 62.100 0.028 0.000 1.132 1111 T CB 0.300 69.163 68.868 -0.008 0.000 0.878 1111 T HN 0.093 nan 8.240 nan 0.000 0.479 1112 M N 1.804 121.433 119.600 0.049 0.000 2.242 1112 M HA 0.397 4.877 4.480 0.000 0.000 0.344 1112 M C -0.514 175.837 176.300 0.086 0.000 1.140 1112 M CA -0.822 54.525 55.300 0.079 0.000 1.160 1112 M CB 0.702 33.365 32.600 0.105 0.000 1.491 1112 M HN 0.190 nan 8.290 nan 0.000 0.459 1113 I N -0.673 119.943 120.570 0.076 0.000 2.437 1113 I HA 0.329 4.499 4.170 0.000 0.000 0.298 1113 I C 0.240 176.420 176.117 0.106 0.000 0.984 1113 I CA -0.698 60.654 61.300 0.088 0.000 1.214 1113 I CB 0.396 38.407 38.000 0.018 0.000 1.365 1113 I HN 0.499 nan 8.210 nan 0.000 0.469 1114 H N 4.297 123.380 119.070 0.021 0.000 3.094 1114 H HA -0.052 4.504 4.556 0.000 0.000 0.320 1114 H C 1.078 176.402 175.328 -0.006 0.000 1.000 1114 H CA 1.205 57.262 56.048 0.015 0.000 1.413 1114 H CB 0.839 30.601 29.762 -0.000 0.000 1.405 1114 H HN 0.982 nan 8.280 nan 0.000 0.586 1115 E N 3.106 123.286 120.200 -0.034 0.000 2.187 1115 E HA -0.314 4.036 4.350 0.000 0.000 0.199 1115 E C 1.423 178.177 176.600 0.257 0.000 1.004 1115 E CA 1.465 57.924 56.400 0.098 0.000 0.813 1115 E CB 0.212 29.909 29.700 -0.006 0.000 0.736 1115 E HN 0.617 nan 8.360 nan 0.000 0.468 1116 Q N 0.296 120.432 119.800 0.560 0.000 2.311 1116 Q HA 0.014 4.354 4.340 0.000 0.000 0.203 1116 Q C 1.835 177.917 176.000 0.138 0.000 0.954 1116 Q CA 0.929 56.949 55.803 0.362 0.000 0.885 1116 Q CB 0.030 28.993 28.738 0.376 0.000 0.963 1116 Q HN 0.456 nan 8.270 nan 0.000 0.471 1117 I N -0.893 119.591 120.570 -0.144 0.000 2.233 1117 I HA -0.217 3.953 4.170 0.000 0.000 0.243 1117 I C 1.790 177.890 176.117 -0.029 0.000 1.093 1117 I CA 1.284 62.316 61.300 -0.446 0.000 1.380 1117 I CB -0.392 37.218 38.000 -0.651 0.000 1.067 1117 I HN 0.116 nan 8.210 nan 0.000 0.413 1118 T N 0.736 115.343 114.554 0.090 0.000 2.737 1118 T HA -0.176 4.174 4.350 0.000 0.000 0.269 1118 T C 2.005 176.904 174.700 0.332 0.000 1.040 1118 T CA 1.145 63.367 62.100 0.203 0.000 1.142 1118 T CB -0.203 68.747 68.868 0.137 0.000 0.861 1118 T HN 0.166 nan 8.240 nan 0.000 0.456 1119 R N 0.748 121.413 120.500 0.276 0.000 2.120 1119 R HA 0.073 4.413 4.340 0.000 0.000 0.234 1119 R C 2.268 178.725 176.300 0.261 0.000 1.123 1119 R CA 0.640 56.925 56.100 0.308 0.000 0.975 1119 R CB -1.291 29.145 30.300 0.225 0.000 0.866 1119 R HN 0.341 nan 8.270 nan 0.000 0.446 1120 L N 0.168 121.497 121.223 0.176 0.000 2.131 1120 L HA -0.075 4.266 4.340 0.000 0.000 0.210 1120 L C 1.818 178.773 176.870 0.141 0.000 1.092 1120 L CA 1.447 56.344 54.840 0.094 0.000 0.759 1120 L CB -0.563 41.526 42.059 0.051 0.000 0.903 1120 L HN -0.028 nan 8.230 nan 0.000 0.435 1121 F N -0.783 119.200 119.950 0.056 0.000 2.171 1121 F HA -0.235 4.292 4.527 0.000 0.000 0.300 1121 F C 2.538 178.135 175.800 -0.339 0.000 1.090 1121 F CA 1.689 59.609 58.000 -0.134 0.000 1.293 1121 F CB -0.562 38.202 39.000 -0.393 0.000 1.013 1121 F HN 0.251 nan 8.300 nan 0.000 0.486 1122 H N -0.945 118.204 119.070 0.130 0.000 2.518 1122 H HA 0.042 4.599 4.556 0.000 0.000 0.289 1122 H C 2.037 177.444 175.328 0.132 0.000 1.051 1122 H CA 1.042 57.175 56.048 0.141 0.000 1.280 1122 H CB -0.243 29.628 29.762 0.181 0.000 1.380 1122 H HN 0.277 nan 8.280 nan 0.000 0.566 1123 A N -0.004 122.882 122.820 0.111 0.000 2.238 1123 A HA 0.158 4.478 4.320 0.000 0.000 0.210 1123 A C 0.447 177.966 177.584 -0.108 0.000 1.179 1123 A CA -0.342 51.679 52.037 -0.026 0.000 0.827 1123 A CB -0.156 18.754 19.000 -0.151 0.000 0.856 1123 A HN 0.019 nan 8.150 nan 0.000 0.488 1124 F N 0.564 120.534 119.950 0.033 0.000 2.378 1124 F HA 0.419 4.946 4.527 0.000 0.000 0.319 1124 F C 1.184 177.126 175.800 0.236 0.000 1.155 1124 F CA -0.381 57.661 58.000 0.071 0.000 1.157 1124 F CB 0.704 39.695 39.000 -0.015 0.000 1.252 1124 F HN -0.002 nan 8.300 nan 0.000 0.550 1125 R N 1.032 121.777 120.500 0.409 0.000 2.531 1125 R HA 0.249 4.590 4.340 0.000 0.000 0.273 1125 R C 1.170 177.681 176.300 0.352 0.000 1.070 1125 R CA -0.742 55.544 56.100 0.310 0.000 1.112 1125 R CB 0.748 31.164 30.300 0.193 0.000 1.049 1125 R HN 0.541 nan 8.270 nan 0.000 0.508 1126 R N 1.428 122.024 120.500 0.159 0.000 2.092 1126 R HA -0.112 4.229 4.340 0.000 0.000 0.231 1126 R C 1.176 177.484 176.300 0.014 0.000 1.119 1126 R CA 1.518 57.591 56.100 -0.045 0.000 0.970 1126 R CB -0.271 29.933 30.300 -0.161 0.000 0.864 1126 R HN 0.739 nan 8.270 nan 0.000 0.440 1127 D N -0.015 120.416 120.400 0.051 0.000 2.363 1127 D HA -0.021 4.620 4.640 0.000 0.000 0.220 1127 D C 0.195 176.548 176.300 0.089 0.000 0.994 1127 D CA 0.047 54.075 54.000 0.047 0.000 0.890 1127 D CB -0.133 40.691 40.800 0.040 0.000 0.906 1127 D HN -0.204 nan 8.370 nan 0.000 0.530 1128 S N -0.393 115.395 115.700 0.147 0.000 2.580 1128 S HA -0.037 4.434 4.470 0.000 0.000 0.261 1128 S C 0.102 174.809 174.600 0.179 0.000 1.366 1128 S CA -0.337 57.974 58.200 0.185 0.000 0.996 1128 S CB 0.249 63.590 63.200 0.235 0.000 0.902 1128 S HN 0.497 nan 8.310 nan 0.000 0.566 1129 H N 1.254 120.375 119.070 0.086 0.000 2.580 1129 H HA 0.223 4.779 4.556 0.000 0.000 0.322 1129 H C -1.897 173.401 175.328 -0.050 0.000 1.082 1129 H CA -2.208 53.864 56.048 0.039 0.000 1.383 1129 H CB 0.957 30.779 29.762 0.100 0.000 1.450 1129 H HN 0.269 nan 8.280 nan 0.000 0.505 1130 P HA -0.221 nan 4.420 nan 0.000 0.218 1130 P C 1.151 178.437 177.300 -0.025 0.000 1.146 1130 P CA 1.133 64.320 63.100 0.144 0.000 0.813 1130 P CB 0.151 31.937 31.700 0.143 0.000 0.778 1131 M N -0.915 118.585 119.600 -0.166 0.000 2.287 1131 M HA 0.118 4.598 4.480 0.000 0.000 0.266 1131 M C 1.873 177.655 176.300 -0.864 0.000 1.079 1131 M CA 1.313 56.126 55.300 -0.810 0.000 1.146 1131 M CB -1.068 30.568 32.600 -1.607 0.000 1.374 1131 M HN -0.175 nan 8.290 nan 0.000 0.435 1132 A N -1.015 121.419 122.820 -0.645 0.000 1.969 1132 A HA -0.028 4.292 4.320 0.000 0.000 0.218 1132 A C 2.042 179.524 177.584 -0.169 0.000 1.169 1132 A CA 1.715 53.643 52.037 -0.181 0.000 0.635 1132 A CB -0.931 18.147 19.000 0.130 0.000 0.810 1132 A HN 0.350 nan 8.150 nan 0.000 0.445 1133 V N -0.851 118.904 119.914 -0.265 0.000 2.649 1133 V HA -0.173 3.947 4.120 0.000 0.000 0.248 1133 V C 2.454 178.229 176.094 -0.530 0.000 1.054 1133 V CA 1.884 63.848 62.300 -0.560 0.000 1.073 1133 V CB -0.501 31.019 31.823 -0.505 0.000 0.699 1133 V HN 0.619 nan 8.190 nan 0.000 0.463 1134 M N 0.078 119.480 119.600 -0.331 0.000 2.159 1134 M HA -0.162 4.318 4.480 0.000 0.000 0.263 1134 M C 2.078 178.251 176.300 -0.212 0.000 1.063 1134 M CA 1.937 57.091 55.300 -0.243 0.000 1.110 1134 M CB -0.951 31.527 32.600 -0.202 0.000 1.374 1134 M HN 0.383 nan 8.290 nan 0.000 0.411 1135 C N -0.250 118.929 119.300 -0.203 0.000 2.446 1135 C HA 0.015 4.475 4.460 0.000 0.000 0.277 1135 C C 2.736 177.682 174.990 -0.074 0.000 1.275 1135 C CA 0.818 59.781 59.018 -0.093 0.000 1.727 1135 C CB -2.033 25.696 27.740 -0.018 0.000 2.010 1135 C HN 0.746 nan 8.230 nan 0.000 0.486 1136 G N 0.920 109.652 108.800 -0.114 0.000 2.440 1136 G HA2 -0.172 3.788 3.960 0.000 0.000 0.218 1136 G HA3 -0.172 3.788 3.960 0.000 0.000 0.218 1136 G C 1.360 176.236 174.900 -0.039 0.000 1.154 1136 G CA 0.918 46.019 45.100 0.000 0.000 0.767 1136 G HN 0.405 nan 8.290 nan 0.000 0.552 1137 I N 1.280 121.687 120.570 -0.272 0.000 2.286 1137 I HA -0.071 4.099 4.170 0.000 0.000 0.245 1137 I C 2.881 178.913 176.117 -0.142 0.000 1.104 1137 I CA 1.324 62.447 61.300 -0.296 0.000 1.397 1137 I CB -1.610 36.049 38.000 -0.567 0.000 1.072 1137 I HN 0.110 nan 8.210 nan 0.000 0.417 1138 T N 1.149 115.650 114.554 -0.090 0.000 2.622 1138 T HA -0.129 4.222 4.350 0.000 0.000 0.266 1138 T C 1.843 176.570 174.700 0.044 0.000 1.047 1138 T CA 1.726 63.830 62.100 0.006 0.000 1.159 1138 T CB -0.864 68.021 68.868 0.028 0.000 0.863 1138 T HN 0.500 nan 8.240 nan 0.000 0.422 1139 G N 0.295 109.114 108.800 0.032 0.000 2.708 1139 G HA2 0.187 4.148 3.960 0.000 0.000 0.210 1139 G HA3 0.187 4.148 3.960 0.000 0.000 0.210 1139 G C 1.358 176.282 174.900 0.040 0.000 1.141 1139 G CA 0.676 45.807 45.100 0.051 0.000 0.788 1139 G HN 0.590 nan 8.290 nan 0.000 0.531 1140 A N -0.023 122.810 122.820 0.021 0.000 2.169 1140 A HA 0.396 4.716 4.320 0.000 0.000 0.210 1140 A C 2.151 179.761 177.584 0.043 0.000 1.168 1140 A CA -0.055 52.005 52.037 0.038 0.000 0.813 1140 A CB -0.037 19.001 19.000 0.063 0.000 0.861 1140 A HN 0.301 nan 8.150 nan 0.000 0.481 1141 L N -0.482 120.698 121.223 -0.072 0.000 2.127 1141 L HA -0.218 4.122 4.340 0.000 0.000 0.211 1141 L C 2.928 179.553 176.870 -0.408 0.000 1.089 1141 L CA 1.104 55.760 54.840 -0.306 0.000 0.757 1141 L CB -0.514 41.334 42.059 -0.351 0.000 0.899 1141 L HN 0.428 nan 8.230 nan 0.000 0.434 1142 A N 0.103 122.785 122.820 -0.230 0.000 2.076 1142 A HA -0.121 4.199 4.320 0.000 0.000 0.220 1142 A C 2.471 179.993 177.584 -0.102 0.000 1.160 1142 A CA 1.518 53.476 52.037 -0.130 0.000 0.653 1142 A CB -0.513 18.532 19.000 0.075 0.000 0.801 1142 A HN 0.414 nan 8.150 nan 0.000 0.455 1143 A N -1.697 121.036 122.820 -0.146 0.000 2.119 1143 A HA 0.228 4.549 4.320 0.000 0.000 0.217 1143 A C 1.668 178.950 177.584 -0.503 0.000 1.153 1143 A CA 1.180 53.028 52.037 -0.315 0.000 0.692 1143 A CB -0.444 18.286 19.000 -0.449 0.000 0.799 1143 A HN 0.486 nan 8.150 nan 0.000 0.458 1144 F N -2.728 117.005 119.950 -0.362 0.000 2.480 1144 F HA 0.195 4.723 4.527 0.000 0.000 0.280 1144 F C 0.546 176.135 175.800 -0.352 0.000 1.002 1144 F CA -0.015 57.725 58.000 -0.433 0.000 1.325 1144 F CB -0.371 38.177 39.000 -0.754 0.000 1.134 1144 F HN 0.117 nan 8.300 nan 0.000 0.646 1145 Y N 2.070 122.284 120.300 -0.144 0.000 2.971 1145 Y HA 0.082 4.632 4.550 0.000 0.000 0.384 1145 Y C 1.469 177.281 175.900 -0.147 0.000 1.166 1145 Y CA -1.036 56.910 58.100 -0.258 0.000 1.973 1145 Y CB -2.243 35.937 38.460 -0.466 0.000 2.082 1145 Y HN 0.295 nan 8.280 nan 0.000 0.420 1146 H N -1.826 117.294 119.070 0.085 0.000 2.559 1146 H HA -0.042 4.514 4.556 0.000 0.000 0.273 1146 H C 0.941 176.316 175.328 0.077 0.000 1.000 1146 H CA 0.958 57.046 56.048 0.067 0.000 1.195 1146 H CB -0.168 29.602 29.762 0.015 0.000 1.368 1146 H HN 0.366 nan 8.280 nan 0.000 0.592 1147 D N 0.679 121.030 120.400 -0.081 0.000 2.328 1147 D HA -0.037 4.603 4.640 0.000 0.000 0.226 1147 D C 0.421 176.556 176.300 -0.275 0.000 1.066 1147 D CA 0.600 54.556 54.000 -0.074 0.000 0.861 1147 D CB -0.136 40.575 40.800 -0.149 0.000 0.912 1147 D HN 0.490 nan 8.370 nan 0.000 0.521 1148 S N -0.568 115.067 115.700 -0.109 0.000 2.686 1148 S HA 0.245 4.715 4.470 0.000 0.000 0.223 1148 S C 0.756 175.497 174.600 0.234 0.000 0.885 1148 S CA -0.662 57.448 58.200 -0.150 0.000 1.115 1148 S CB -0.795 62.379 63.200 -0.043 0.000 1.459 1148 S HN 0.125 nan 8.310 nan 0.000 0.444 1149 L N 0.190 121.600 121.223 0.312 0.000 2.316 1149 L HA 0.273 4.613 4.340 0.000 0.000 0.207 1149 L C -0.185 176.872 176.870 0.311 0.000 1.070 1149 L CA 0.039 55.074 54.840 0.326 0.000 0.820 1149 L CB -0.402 41.825 42.059 0.279 0.000 0.992 1149 L HN 0.300 nan 8.230 nan 0.000 0.466 1150 D N 2.138 122.757 120.400 0.365 0.000 2.376 1150 D HA -0.028 4.612 4.640 0.000 0.000 0.278 1150 D C 1.487 177.863 176.300 0.126 0.000 1.384 1150 D CA 0.203 54.323 54.000 0.200 0.000 1.033 1150 D CB 0.936 41.781 40.800 0.075 0.000 1.102 1150 D HN 0.038 nan 8.370 nan 0.000 0.530 1151 V N 0.569 120.543 119.914 0.099 0.000 2.867 1151 V HA -0.218 3.902 4.120 0.000 0.000 0.260 1151 V C 1.075 176.952 176.094 -0.362 0.000 1.099 1151 V CA 1.205 63.462 62.300 -0.070 0.000 1.122 1151 V CB -0.695 31.127 31.823 -0.002 0.000 0.708 1151 V HN 0.268 nan 8.190 nan 0.000 0.490 1152 N N 1.083 119.665 118.700 -0.197 0.000 2.398 1152 N HA 0.082 4.823 4.740 0.000 0.000 0.188 1152 N C 0.499 175.910 175.510 -0.165 0.000 1.122 1152 N CA 0.192 53.128 53.050 -0.190 0.000 0.866 1152 N CB -0.144 38.283 38.487 -0.100 0.000 0.970 1152 N HN 0.722 nan 8.380 nan 0.000 0.462 1153 N N 0.851 119.446 118.700 -0.175 0.000 2.501 1153 N HA 0.177 4.917 4.740 0.000 0.000 0.245 1153 N C -2.103 173.363 175.510 -0.074 0.000 0.974 1153 N CA -2.196 50.745 53.050 -0.182 0.000 0.941 1153 N CB 1.327 39.542 38.487 -0.454 0.000 1.122 1153 N HN -0.183 nan 8.380 nan 0.000 0.507 1154 P HA -0.194 nan 4.420 nan 0.000 0.218 1154 P C 1.112 178.452 177.300 0.068 0.000 1.146 1154 P CA 0.976 64.074 63.100 -0.003 0.000 0.813 1154 P CB 0.183 31.877 31.700 -0.010 0.000 0.778 1155 R N -1.073 119.480 120.500 0.088 0.000 2.062 1155 R HA -0.177 4.163 4.340 0.000 0.000 0.231 1155 R C 2.096 178.538 176.300 0.237 0.000 1.136 1155 R CA 1.587 57.779 56.100 0.153 0.000 0.948 1155 R CB -0.668 29.732 30.300 0.168 0.000 0.845 1155 R HN 0.201 nan 8.270 nan 0.000 0.430 1156 H N 0.323 119.426 119.070 0.055 0.000 2.290 1156 H HA -0.047 4.509 4.556 0.000 0.000 0.298 1156 H C 2.223 177.609 175.328 0.098 0.000 1.087 1156 H CA 1.869 57.963 56.048 0.077 0.000 1.291 1156 H CB -0.244 29.568 29.762 0.084 0.000 1.369 1156 H HN 0.198 nan 8.280 nan 0.000 0.492 1157 R N 0.248 120.903 120.500 0.259 0.000 2.117 1157 R HA -0.175 4.165 4.340 0.000 0.000 0.243 1157 R C 2.280 178.707 176.300 0.212 0.000 1.143 1157 R CA 1.572 57.843 56.100 0.285 0.000 0.968 1157 R CB -0.155 30.263 30.300 0.197 0.000 0.863 1157 R HN 0.529 nan 8.270 nan 0.000 0.444 1158 E N 0.945 121.246 120.200 0.169 0.000 2.046 1158 E HA -0.137 4.213 4.350 0.000 0.000 0.190 1158 E C 2.034 178.768 176.600 0.223 0.000 0.982 1158 E CA 0.784 57.292 56.400 0.181 0.000 0.800 1158 E CB 0.013 29.839 29.700 0.211 0.000 0.756 1158 E HN 0.243 nan 8.360 nan 0.000 0.449 1159 I N 1.262 121.923 120.570 0.152 0.000 2.127 1159 I HA -0.315 3.855 4.170 0.000 0.000 0.241 1159 I C 2.659 178.798 176.117 0.036 0.000 1.075 1159 I CA 1.254 62.594 61.300 0.066 0.000 1.334 1159 I CB -0.474 37.515 38.000 -0.017 0.000 1.040 1159 I HN 0.209 nan 8.210 nan 0.000 0.405 1160 A N 0.735 123.559 122.820 0.007 0.000 1.908 1160 A HA -0.220 4.101 4.320 0.000 0.000 0.218 1160 A C 2.533 180.010 177.584 -0.178 0.000 1.181 1160 A CA 2.107 54.066 52.037 -0.130 0.000 0.627 1160 A CB -0.921 17.895 19.000 -0.306 0.000 0.818 1160 A HN 0.476 nan 8.150 nan 0.000 0.445 1161 A N -1.628 121.134 122.820 -0.097 0.000 1.933 1161 A HA 0.012 4.332 4.320 0.000 0.000 0.218 1161 A C 1.928 179.428 177.584 -0.140 0.000 1.175 1161 A CA 1.514 53.474 52.037 -0.128 0.000 0.628 1161 A CB -0.649 18.293 19.000 -0.096 0.000 0.814 1161 A HN 0.465 nan 8.150 nan 0.000 0.444 1162 F N -0.244 119.656 119.950 -0.085 0.000 2.293 1162 F HA 0.025 4.552 4.527 0.000 0.000 0.297 1162 F C 2.441 178.171 175.800 -0.115 0.000 1.089 1162 F CA 1.065 58.990 58.000 -0.126 0.000 1.377 1162 F CB -0.153 38.724 39.000 -0.205 0.000 1.051 1162 F HN 0.101 nan 8.300 nan 0.000 0.511 1163 R N -0.190 120.343 120.500 0.055 0.000 2.193 1163 R HA -0.096 4.245 4.340 0.000 0.000 0.229 1163 R C 1.787 178.146 176.300 0.097 0.000 1.110 1163 R CA 1.038 57.141 56.100 0.005 0.000 0.988 1163 R CB -0.357 29.905 30.300 -0.064 0.000 0.871 1163 R HN 0.338 nan 8.270 nan 0.000 0.458 1164 L N -0.613 120.660 121.223 0.084 0.000 2.354 1164 L HA 0.009 4.350 4.340 0.000 0.000 0.212 1164 L C 1.922 178.857 176.870 0.107 0.000 1.091 1164 L CA 0.125 55.025 54.840 0.101 0.000 0.828 1164 L CB 0.036 42.111 42.059 0.027 0.000 0.973 1164 L HN 0.100 nan 8.230 nan 0.000 0.461 1165 L N -1.421 119.864 121.223 0.103 0.000 2.209 1165 L HA 0.030 4.370 4.340 0.000 0.000 0.207 1165 L C 2.389 179.421 176.870 0.271 0.000 1.094 1165 L CA 1.219 56.169 54.840 0.183 0.000 0.790 1165 L CB -0.003 42.115 42.059 0.099 0.000 0.932 1165 L HN 0.040 nan 8.230 nan 0.000 0.447 1166 S N -0.412 115.400 115.700 0.187 0.000 2.362 1166 S HA -0.089 4.382 4.470 0.000 0.000 0.221 1166 S C 1.757 176.395 174.600 0.063 0.000 1.032 1166 S CA 1.140 59.425 58.200 0.142 0.000 0.973 1166 S CB -0.058 63.232 63.200 0.150 0.000 0.849 1166 S HN 0.388 nan 8.310 nan 0.000 0.465 1167 K N 0.607 121.056 120.400 0.083 0.000 2.418 1167 K HA 0.198 4.518 4.320 0.000 0.000 0.195 1167 K C 1.842 178.466 176.600 0.039 0.000 1.035 1167 K CA 0.314 56.638 56.287 0.063 0.000 1.003 1167 K CB -0.041 32.526 32.500 0.113 0.000 0.793 1167 K HN 0.237 nan 8.250 nan 0.000 0.494 1168 M N 0.694 120.322 119.600 0.046 0.000 2.067 1168 M HA -0.071 4.409 4.480 0.000 0.000 0.260 1168 M C -0.834 175.439 176.300 -0.046 0.000 1.069 1168 M CA 1.767 57.079 55.300 0.019 0.000 1.117 1168 M CB -1.720 30.904 32.600 0.038 0.000 1.334 1168 M HN -0.090 nan 8.290 nan 0.000 0.407 1169 P HA -0.086 nan 4.420 nan 0.000 0.215 1169 P C 1.503 178.806 177.300 0.004 0.000 1.157 1169 P CA 1.611 64.627 63.100 -0.140 0.000 0.863 1169 P CB -0.276 31.221 31.700 -0.339 0.000 0.787 1170 T N -0.512 114.004 114.554 -0.064 0.000 2.624 1170 T HA -0.260 4.091 4.350 0.000 0.000 0.268 1170 T C 1.810 176.432 174.700 -0.129 0.000 1.041 1170 T CA 1.657 63.697 62.100 -0.100 0.000 1.159 1170 T CB -0.924 67.888 68.868 -0.093 0.000 0.863 1170 T HN 0.071 nan 8.240 nan 0.000 0.434 1171 M N 0.645 120.210 119.600 -0.059 0.000 2.065 1171 M HA -0.158 4.322 4.480 0.000 0.000 0.259 1171 M C 2.610 178.916 176.300 0.011 0.000 1.071 1171 M CA 2.092 57.396 55.300 0.008 0.000 1.109 1171 M CB -0.429 32.199 32.600 0.046 0.000 1.313 1171 M HN 0.350 nan 8.290 nan 0.000 0.408 1172 A N 0.073 122.907 122.820 0.024 0.000 1.873 1172 A HA -0.186 4.134 4.320 0.000 0.000 0.218 1172 A C 2.280 179.912 177.584 0.079 0.000 1.193 1172 A CA 2.394 54.469 52.037 0.062 0.000 0.629 1172 A CB -1.422 17.623 19.000 0.075 0.000 0.826 1172 A HN 0.662 nan 8.150 nan 0.000 0.447 1173 A N -0.711 122.159 122.820 0.084 0.000 1.917 1173 A HA -0.206 4.115 4.320 0.000 0.000 0.219 1173 A C 2.281 179.805 177.584 -0.101 0.000 1.182 1173 A CA 2.079 54.093 52.037 -0.039 0.000 0.633 1173 A CB -0.620 18.283 19.000 -0.161 0.000 0.819 1173 A HN 0.568 nan 8.150 nan 0.000 0.448 1174 M N -1.186 118.236 119.600 -0.296 0.000 2.202 1174 M HA -0.208 4.272 4.480 0.000 0.000 0.262 1174 M C 2.343 178.465 176.300 -0.298 0.000 1.063 1174 M CA 1.287 56.204 55.300 -0.639 0.000 1.097 1174 M CB -0.728 30.921 32.600 -1.585 0.000 1.382 1174 M HN 0.572 nan 8.290 nan 0.000 0.413 1175 C N -0.747 118.523 119.300 -0.050 0.000 2.413 1175 C HA -0.208 4.252 4.460 0.000 0.000 0.276 1175 C C 2.642 177.744 174.990 0.187 0.000 1.248 1175 C CA 0.889 60.004 59.018 0.163 0.000 1.742 1175 C CB -0.992 26.824 27.740 0.127 0.000 2.017 1175 C HN 0.575 nan 8.230 nan 0.000 0.481 1176 Y N 1.640 121.944 120.300 0.007 0.000 2.133 1176 Y HA -0.168 4.382 4.550 0.000 0.000 0.287 1176 Y C 2.478 178.383 175.900 0.007 0.000 1.134 1176 Y CA 1.477 59.568 58.100 -0.015 0.000 1.133 1176 Y CB -0.206 38.202 38.460 -0.088 0.000 0.987 1176 Y HN 0.056 nan 8.280 nan 0.000 0.502 1177 K N 0.048 120.332 120.400 -0.193 0.000 2.074 1177 K HA -0.276 4.044 4.320 0.000 0.000 0.209 1177 K C 1.961 178.486 176.600 -0.125 0.000 1.048 1177 K CA 1.965 58.108 56.287 -0.240 0.000 0.926 1177 K CB -1.119 31.381 32.500 0.001 0.000 0.713 1177 K HN 0.551 nan 8.250 nan 0.000 0.444 1178 Y N 1.699 121.998 120.300 -0.002 0.000 2.314 1178 Y HA -0.219 4.331 4.550 0.000 0.000 0.293 1178 Y C 2.508 178.381 175.900 -0.045 0.000 1.129 1178 Y CA 1.694 59.787 58.100 -0.013 0.000 1.201 1178 Y CB -0.021 38.562 38.460 0.205 0.000 0.999 1178 Y HN 0.187 nan 8.280 nan 0.000 0.541 1179 S N 0.336 116.028 115.700 -0.012 0.000 2.387 1179 S HA -0.185 4.286 4.470 0.000 0.000 0.226 1179 S C 1.832 176.328 174.600 -0.173 0.000 1.026 1179 S CA 1.293 59.453 58.200 -0.066 0.000 0.972 1179 S CB -1.125 62.099 63.200 0.040 0.000 0.814 1179 S HN 0.650 nan 8.310 nan 0.000 0.477 1180 I N -2.629 117.785 120.570 -0.260 0.000 3.035 1180 I HA 0.501 4.671 4.170 0.000 0.000 0.271 1180 I C 1.631 177.601 176.117 -0.245 0.000 1.190 1180 I CA 0.450 61.597 61.300 -0.255 0.000 1.472 1180 I CB -0.495 37.295 38.000 -0.350 0.000 1.116 1180 I HN 0.443 nan 8.210 nan 0.000 0.443 1181 G N 1.371 109.997 108.800 -0.291 0.000 2.135 1181 G HA2 -0.178 3.782 3.960 0.000 0.000 0.183 1181 G HA3 -0.178 3.782 3.960 0.000 0.000 0.183 1181 G C -0.166 174.594 174.900 -0.234 0.000 1.004 1181 G CA -0.326 44.612 45.100 -0.270 0.000 0.677 1181 G HN 0.532 nan 8.290 nan 0.000 0.512 1182 Q N 0.624 120.272 119.800 -0.253 0.000 2.235 1182 Q HA 0.483 4.823 4.340 0.000 0.000 0.256 1182 Q C -2.202 173.652 176.000 -0.243 0.000 0.951 1182 Q CA -1.939 53.737 55.803 -0.211 0.000 0.890 1182 Q CB 2.268 30.890 28.738 -0.195 0.000 1.279 1182 Q HN 0.260 nan 8.270 nan 0.000 0.444 1183 P HA -0.004 nan 4.420 nan 0.000 0.269 1183 P C -0.847 176.353 177.300 -0.168 0.000 1.209 1183 P CA 0.047 63.001 63.100 -0.242 0.000 0.776 1183 P CB 0.399 32.020 31.700 -0.131 0.000 0.876 1184 F N 0.801 120.645 119.950 -0.177 0.000 2.518 1184 F HA 0.094 4.621 4.527 0.000 0.000 0.359 1184 F C 0.927 176.546 175.800 -0.302 0.000 1.118 1184 F CA -0.276 57.549 58.000 -0.291 0.000 1.287 1184 F CB -0.103 38.666 39.000 -0.385 0.000 1.132 1184 F HN -0.014 nan 8.300 nan 0.000 0.587 1185 V N 4.172 124.013 119.914 -0.121 0.000 2.417 1185 V HA 0.269 4.389 4.120 0.000 0.000 0.291 1185 V C -0.495 175.453 176.094 -0.243 0.000 1.024 1185 V CA -1.130 61.083 62.300 -0.146 0.000 0.861 1185 V CB 0.986 32.748 31.823 -0.102 0.000 0.985 1185 V HN 0.453 nan 8.190 nan 0.000 0.436 1186 Y N 5.974 126.259 120.300 -0.025 0.000 2.397 1186 Y HA 0.288 4.838 4.550 0.000 0.000 0.335 1186 Y C -1.485 174.389 175.900 -0.042 0.000 1.213 1186 Y CA -1.656 56.422 58.100 -0.036 0.000 1.391 1186 Y CB 0.418 38.864 38.460 -0.024 0.000 1.293 1186 Y HN 0.439 nan 8.280 nan 0.000 0.557 1187 P HA 0.097 nan 4.420 nan 0.000 0.271 1187 P C -0.846 176.487 177.300 0.055 0.000 1.216 1187 P CA -0.121 63.001 63.100 0.037 0.000 0.776 1187 P CB 0.794 32.502 31.700 0.012 0.000 0.881 1188 R N 3.003 123.525 120.500 0.036 0.000 2.265 1188 R HA 0.197 4.537 4.340 0.000 0.000 0.328 1188 R C 0.756 177.073 176.300 0.029 0.000 0.969 1188 R CA -0.653 55.470 56.100 0.038 0.000 0.832 1188 R CB 0.736 31.064 30.300 0.047 0.000 1.139 1188 R HN 0.411 nan 8.270 nan 0.000 0.457 1189 N N 1.701 120.412 118.700 0.018 0.000 2.573 1189 N HA -0.143 4.598 4.740 0.000 0.000 0.187 1189 N C 0.842 176.368 175.510 0.026 0.000 1.107 1189 N CA 0.918 53.977 53.050 0.014 0.000 0.918 1189 N CB 0.136 38.620 38.487 -0.005 0.000 0.966 1189 N HN 0.614 nan 8.380 nan 0.000 0.448 1190 D N -0.357 120.062 120.400 0.032 0.000 2.349 1190 D HA -0.039 4.602 4.640 0.000 0.000 0.215 1190 D C 0.393 176.726 176.300 0.055 0.000 1.016 1190 D CA 0.069 54.093 54.000 0.039 0.000 0.870 1190 D CB 0.218 41.038 40.800 0.034 0.000 0.917 1190 D HN 0.156 nan 8.370 nan 0.000 0.524 1191 L N 1.197 122.458 121.223 0.062 0.000 2.334 1191 L HA 0.283 4.623 4.340 0.000 0.000 0.272 1191 L C 0.926 177.856 176.870 0.100 0.000 1.020 1191 L CA -1.058 53.831 54.840 0.081 0.000 0.812 1191 L CB 1.848 43.958 42.059 0.084 0.000 1.264 1191 L HN -0.053 nan 8.230 nan 0.000 0.439 1192 S N 0.278 116.054 115.700 0.127 0.000 2.596 1192 S HA -0.016 4.454 4.470 0.000 0.000 0.260 1192 S C 1.067 175.791 174.600 0.206 0.000 1.336 1192 S CA -0.090 58.214 58.200 0.173 0.000 0.993 1192 S CB 0.353 63.663 63.200 0.184 0.000 0.923 1192 S HN 0.599 nan 8.310 nan 0.000 0.567 1193 Y N 1.618 121.990 120.300 0.121 0.000 2.102 1193 Y HA -0.251 4.299 4.550 0.000 0.000 0.280 1193 Y C 2.542 178.501 175.900 0.099 0.000 1.178 1193 Y CA 2.574 60.739 58.100 0.109 0.000 1.146 1193 Y CB -0.906 37.641 38.460 0.144 0.000 0.968 1193 Y HN 0.834 nan 8.280 nan 0.000 0.504 1194 A N -0.545 122.480 122.820 0.342 0.000 1.874 1194 A HA 0.032 4.352 4.320 0.000 0.000 0.214 1194 A C 2.438 180.170 177.584 0.247 0.000 1.189 1194 A CA 1.249 53.453 52.037 0.279 0.000 0.615 1194 A CB -1.562 17.574 19.000 0.227 0.000 0.830 1194 A HN 0.560 nan 8.150 nan 0.000 0.443 1195 G N 0.414 109.332 108.800 0.196 0.000 2.446 1195 G HA2 -0.350 3.610 3.960 0.000 0.000 0.217 1195 G HA3 -0.350 3.610 3.960 0.000 0.000 0.217 1195 G C 1.458 176.444 174.900 0.143 0.000 1.168 1195 G CA 1.412 46.615 45.100 0.172 0.000 0.771 1195 G HN 0.628 nan 8.290 nan 0.000 0.551 1196 N N -0.260 118.508 118.700 0.113 0.000 2.192 1196 N HA -0.160 4.580 4.740 0.000 0.000 0.188 1196 N C 1.773 177.300 175.510 0.028 0.000 1.013 1196 N CA 1.376 54.460 53.050 0.057 0.000 0.863 1196 N CB -0.338 38.163 38.487 0.023 0.000 0.990 1196 N HN 0.289 nan 8.380 nan 0.000 0.430 1197 F N 0.614 120.500 119.950 -0.105 0.000 2.128 1197 F HA 0.142 4.669 4.527 0.000 0.000 0.295 1197 F C 1.751 177.439 175.800 -0.186 0.000 1.100 1197 F CA 0.972 58.873 58.000 -0.166 0.000 1.260 1197 F CB -0.376 38.528 39.000 -0.161 0.000 1.009 1197 F HN 0.038 nan 8.300 nan 0.000 0.476 1198 L N 0.277 121.363 121.223 -0.229 0.000 2.275 1198 L HA -0.199 4.141 4.340 0.000 0.000 0.215 1198 L C 2.044 178.704 176.870 -0.350 0.000 1.119 1198 L CA 1.327 55.983 54.840 -0.307 0.000 0.790 1198 L CB -0.793 41.374 42.059 0.179 0.000 0.919 1198 L HN 0.248 nan 8.230 nan 0.000 0.443 1199 N N 0.374 118.959 118.700 -0.191 0.000 2.207 1199 N HA -0.110 4.631 4.740 0.000 0.000 0.182 1199 N C 1.886 177.205 175.510 -0.317 0.000 1.020 1199 N CA 1.244 54.174 53.050 -0.200 0.000 0.858 1199 N CB -0.004 38.496 38.487 0.021 0.000 0.991 1199 N HN 0.139 nan 8.380 nan 0.000 0.427 1200 M N -0.641 118.775 119.600 -0.306 0.000 2.374 1200 M HA -0.055 4.425 4.480 0.000 0.000 0.264 1200 M C 1.388 177.447 176.300 -0.403 0.000 1.067 1200 M CA 0.828 55.950 55.300 -0.296 0.000 1.103 1200 M CB -0.023 32.437 32.600 -0.233 0.000 1.402 1200 M HN 0.239 nan 8.290 nan 0.000 0.444 1201 M N -1.302 117.885 119.600 -0.689 0.000 2.325 1201 M HA 0.041 4.521 4.480 0.000 0.000 0.265 1201 M C 1.325 177.247 176.300 -0.630 0.000 1.094 1201 M CA 1.624 56.430 55.300 -0.824 0.000 1.161 1201 M CB -0.446 31.151 32.600 -1.672 0.000 1.358 1201 M HN 0.233 nan 8.290 nan 0.000 0.446 1202 F N -0.983 118.724 119.950 -0.405 0.000 2.682 1202 F HA 0.213 4.741 4.527 0.000 0.000 0.308 1202 F C 1.243 176.681 175.800 -0.603 0.000 1.093 1202 F CA -0.565 57.142 58.000 -0.488 0.000 1.244 1202 F CB 0.234 38.864 39.000 -0.617 0.000 1.052 1202 F HN -0.066 nan 8.300 nan 0.000 0.573 1203 S N 0.520 115.983 115.700 -0.395 0.000 2.580 1203 S HA 0.502 4.972 4.470 0.000 0.000 0.274 1203 S C -0.054 174.504 174.600 -0.070 0.000 1.329 1203 S CA 0.191 58.276 58.200 -0.191 0.000 1.036 1203 S CB 0.863 64.000 63.200 -0.106 0.000 0.919 1203 S HN 0.090 nan 8.310 nan 0.000 0.515 1204 T N 5.138 119.692 114.554 0.001 0.000 2.993 1204 T HA 0.415 4.765 4.350 0.000 0.000 0.312 1204 T C -2.183 172.531 174.700 0.023 0.000 1.115 1204 T CA -0.837 61.264 62.100 0.001 0.000 1.027 1204 T CB 1.788 70.659 68.868 0.005 0.000 1.116 1204 T HN 0.338 nan 8.240 nan 0.000 0.464 1205 P HA -0.074 nan 4.420 nan 0.000 0.218 1205 P C 1.231 178.544 177.300 0.022 0.000 1.146 1205 P CA 0.897 64.009 63.100 0.020 0.000 0.813 1205 P CB -0.165 31.541 31.700 0.011 0.000 0.778 1206 C N -0.303 119.008 119.300 0.018 0.000 2.403 1206 C HA -0.085 4.375 4.460 0.000 0.000 0.282 1206 C C 1.218 176.224 174.990 0.026 0.000 1.297 1206 C CA 0.521 59.549 59.018 0.018 0.000 1.785 1206 C CB -1.892 25.856 27.740 0.014 0.000 1.963 1206 C HN 0.404 nan 8.230 nan 0.000 0.507 1207 E N -0.240 119.985 120.200 0.042 0.000 2.396 1207 E HA 0.355 4.705 4.350 0.000 0.000 0.280 1207 E C -3.227 173.417 176.600 0.073 0.000 1.065 1207 E CA -1.394 55.035 56.400 0.047 0.000 0.831 1207 E CB 0.695 30.421 29.700 0.043 0.000 1.272 1207 E HN -0.042 nan 8.360 nan 0.000 0.443 1208 P HA 0.107 nan 4.420 nan 0.000 0.279 1208 P C -1.362 176.008 177.300 0.117 0.000 1.239 1208 P CA -0.160 62.990 63.100 0.084 0.000 0.789 1208 P CB 0.406 32.135 31.700 0.048 0.000 0.933 1209 Y N 1.669 121.986 120.300 0.027 0.000 2.308 1209 Y HA 0.248 4.798 4.550 0.000 0.000 0.329 1209 Y C 0.200 176.120 175.900 0.034 0.000 1.111 1209 Y CA -0.108 58.013 58.100 0.036 0.000 1.179 1209 Y CB 1.256 39.748 38.460 0.054 0.000 1.201 1209 Y HN 0.352 nan 8.280 nan 0.000 0.483 1210 E N 5.274 125.128 120.200 -0.577 0.000 2.182 1210 E HA 0.286 4.636 4.350 0.000 0.000 0.258 1210 E C -1.233 175.057 176.600 -0.517 0.000 0.879 1210 E CA -0.820 55.354 56.400 -0.376 0.000 0.754 1210 E CB 1.771 31.342 29.700 -0.215 0.000 1.162 1210 E HN 0.417 nan 8.360 nan 0.000 0.419 1211 V N 3.712 123.478 119.914 -0.246 0.000 2.521 1211 V HA -0.029 4.091 4.120 0.000 0.000 0.286 1211 V C 0.644 176.706 176.094 -0.053 0.000 1.034 1211 V CA -0.338 61.916 62.300 -0.075 0.000 1.045 1211 V CB 0.384 32.273 31.823 0.110 0.000 0.974 1211 V HN 0.621 nan 8.190 nan 0.000 0.480 1212 N N 6.793 125.469 118.700 -0.040 0.000 2.442 1212 N HA 0.158 4.898 4.740 0.000 0.000 0.265 1212 N C -1.659 173.861 175.510 0.017 0.000 1.138 1212 N CA -1.664 51.372 53.050 -0.024 0.000 0.956 1212 N CB 1.905 40.375 38.487 -0.028 0.000 1.067 1212 N HN 0.266 nan 8.380 nan 0.000 0.474 1213 P HA -0.118 nan 4.420 nan 0.000 0.217 1213 P C 1.232 178.552 177.300 0.033 0.000 1.148 1213 P CA 1.251 64.368 63.100 0.028 0.000 0.834 1213 P CB 0.316 32.025 31.700 0.016 0.000 0.783 1214 I N -1.998 118.585 120.570 0.022 0.000 2.406 1214 I HA -0.149 4.022 4.170 0.000 0.000 0.249 1214 I C 2.158 178.297 176.117 0.036 0.000 1.122 1214 I CA 1.023 62.336 61.300 0.022 0.000 1.431 1214 I CB -0.511 37.491 38.000 0.004 0.000 1.087 1214 I HN -0.092 nan 8.210 nan 0.000 0.424 1215 L N 0.409 121.658 121.223 0.043 0.000 2.109 1215 L HA -0.157 4.184 4.340 0.000 0.000 0.207 1215 L C 2.604 179.535 176.870 0.103 0.000 1.086 1215 L CA 1.232 56.113 54.840 0.069 0.000 0.760 1215 L CB -0.601 41.503 42.059 0.074 0.000 0.910 1215 L HN 0.313 nan 8.230 nan 0.000 0.437 1216 E N 0.803 121.065 120.200 0.104 0.000 2.051 1216 E HA -0.268 4.082 4.350 0.000 0.000 0.192 1216 E C 2.391 179.059 176.600 0.113 0.000 0.991 1216 E CA 1.102 57.578 56.400 0.127 0.000 0.799 1216 E CB 0.053 29.822 29.700 0.115 0.000 0.748 1216 E HN 0.279 nan 8.360 nan 0.000 0.449 1217 R N 0.036 120.587 120.500 0.085 0.000 2.081 1217 R HA -0.123 4.217 4.340 0.000 0.000 0.235 1217 R C 2.251 178.594 176.300 0.071 0.000 1.131 1217 R CA 1.210 57.353 56.100 0.073 0.000 0.960 1217 R CB -0.284 30.047 30.300 0.051 0.000 0.856 1217 R HN 0.207 nan 8.270 nan 0.000 0.436 1218 A N 0.728 123.588 122.820 0.067 0.000 1.933 1218 A HA -0.212 4.108 4.320 0.000 0.000 0.218 1218 A C 2.039 179.668 177.584 0.074 0.000 1.175 1218 A CA 1.594 53.668 52.037 0.062 0.000 0.628 1218 A CB -0.411 18.621 19.000 0.053 0.000 0.814 1218 A HN 0.409 nan 8.150 nan 0.000 0.444 1219 M N -0.060 119.599 119.600 0.099 0.000 2.200 1219 M HA -0.053 4.427 4.480 0.000 0.000 0.265 1219 M C 1.594 177.940 176.300 0.076 0.000 1.066 1219 M CA 1.939 57.304 55.300 0.107 0.000 1.127 1219 M CB -0.479 32.230 32.600 0.182 0.000 1.379 1219 M HN 0.491 nan 8.290 nan 0.000 0.420 1220 D N -0.274 120.181 120.400 0.092 0.000 2.144 1220 D HA -0.179 4.461 4.640 0.000 0.000 0.199 1220 D C 1.826 178.179 176.300 0.088 0.000 0.984 1220 D CA 1.111 55.165 54.000 0.091 0.000 0.834 1220 D CB 0.080 40.950 40.800 0.116 0.000 0.955 1220 D HN 0.430 nan 8.370 nan 0.000 0.465 1221 R N -0.161 120.386 120.500 0.078 0.000 2.153 1221 R HA 0.060 4.400 4.340 0.000 0.000 0.218 1221 R C 2.562 178.913 176.300 0.084 0.000 1.072 1221 R CA 0.253 56.396 56.100 0.072 0.000 0.990 1221 R CB 0.093 30.424 30.300 0.052 0.000 0.889 1221 R HN 0.292 nan 8.270 nan 0.000 0.452 1222 I N 0.502 121.127 120.570 0.092 0.000 2.252 1222 I HA -0.265 3.905 4.170 0.000 0.000 0.245 1222 I C 1.732 177.985 176.117 0.228 0.000 1.102 1222 I CA 0.979 62.372 61.300 0.155 0.000 1.385 1222 I CB -0.134 37.916 38.000 0.084 0.000 1.064 1222 I HN 0.067 nan 8.210 nan 0.000 0.414 1223 L N 0.499 121.764 121.223 0.069 0.000 2.012 1223 L HA -0.215 4.125 4.340 0.000 0.000 0.210 1223 L C 2.375 179.371 176.870 0.211 0.000 1.073 1223 L CA 1.910 56.743 54.840 -0.013 0.000 0.748 1223 L CB -0.724 41.124 42.059 -0.351 0.000 0.891 1223 L HN 0.158 nan 8.230 nan 0.000 0.431 1224 I N -0.942 119.758 120.570 0.217 0.000 2.163 1224 I HA -0.337 3.833 4.170 0.000 0.000 0.243 1224 I C 2.136 178.322 176.117 0.115 0.000 1.085 1224 I CA 1.355 62.764 61.300 0.180 0.000 1.347 1224 I CB -0.337 37.731 38.000 0.114 0.000 1.044 1224 I HN 0.210 nan 8.210 nan 0.000 0.408 1225 L N -0.558 120.693 121.223 0.048 0.000 2.551 1225 L HA -0.140 4.201 4.340 0.000 0.000 0.228 1225 L C 1.495 178.199 176.870 -0.277 0.000 1.153 1225 L CA 0.910 55.687 54.840 -0.105 0.000 0.851 1225 L CB -0.608 41.345 42.059 -0.176 0.000 0.959 1225 L HN 0.352 nan 8.230 nan 0.000 0.451 1226 H N -1.815 117.282 119.070 0.044 0.000 2.893 1226 H HA 0.280 4.837 4.556 0.000 0.000 0.270 1226 H C 2.065 177.388 175.328 -0.007 0.000 1.095 1226 H CA 0.414 56.468 56.048 0.011 0.000 1.186 1226 H CB 0.441 30.189 29.762 -0.022 0.000 1.562 1226 H HN 0.170 nan 8.280 nan 0.000 0.536 1227 A N 0.465 123.351 122.820 0.110 0.000 1.915 1227 A HA -0.192 4.128 4.320 0.000 0.000 0.220 1227 A C 0.698 178.218 177.584 -0.106 0.000 1.198 1227 A CA 2.328 54.370 52.037 0.009 0.000 0.647 1227 A CB -0.164 18.780 19.000 -0.094 0.000 0.825 1227 A HN 0.487 nan 8.150 nan 0.000 0.456 1228 D N -5.823 114.525 120.400 -0.087 0.000 2.622 1228 D HA 0.478 5.118 4.640 0.000 0.000 0.255 1228 D C -0.797 175.685 176.300 0.303 0.000 1.246 1228 D CA -0.528 53.487 54.000 0.026 0.000 0.795 1228 D CB 0.796 41.551 40.800 -0.075 0.000 1.369 1228 D HN 0.229 nan 8.370 nan 0.000 0.425 1229 H N 1.678 120.872 119.070 0.206 0.000 3.407 1229 H HA 0.163 4.719 4.556 0.000 0.000 0.222 1229 H C -0.116 175.306 175.328 0.157 0.000 1.357 1229 H CA -0.156 56.019 56.048 0.213 0.000 1.145 1229 H CB 0.220 30.099 29.762 0.196 0.000 2.622 1229 H HN 0.583 nan 8.280 nan 0.000 0.556 1230 E N 0.398 120.756 120.200 0.263 0.000 3.964 1230 E HA -0.229 4.121 4.350 0.000 0.000 0.215 1230 E C -0.479 176.129 176.600 0.013 0.000 1.473 1230 E CA 0.790 57.292 56.400 0.171 0.000 2.344 1230 E CB -0.215 29.508 29.700 0.038 0.000 2.114 1230 E HN 0.456 nan 8.360 nan 0.000 0.475 1231 Q N 1.390 121.191 119.800 0.002 0.000 3.151 1231 Q HA 0.076 4.417 4.340 0.000 0.000 0.277 1231 Q C 0.234 176.207 176.000 -0.046 0.000 1.343 1231 Q CA 0.769 56.550 55.803 -0.037 0.000 0.925 1231 Q CB -1.571 27.166 28.738 -0.002 0.000 1.771 1231 Q HN 0.368 nan 8.270 nan 0.000 0.514 1232 N N -2.168 116.509 118.700 -0.038 0.000 2.431 1232 N HA 0.400 5.141 4.740 0.000 0.000 0.289 1232 N C 0.935 176.453 175.510 0.015 0.000 1.277 1232 N CA -0.079 52.970 53.050 -0.002 0.000 0.972 1232 N CB 0.618 39.133 38.487 0.048 0.000 1.143 1232 N HN 0.001 nan 8.380 nan 0.000 0.578 1233 A N 0.188 123.028 122.820 0.033 0.000 1.873 1233 A HA -0.170 4.151 4.320 0.000 0.000 0.215 1233 A C 2.270 179.852 177.584 -0.004 0.000 1.186 1233 A CA 1.939 53.988 52.037 0.021 0.000 0.616 1233 A CB -1.380 17.635 19.000 0.025 0.000 0.823 1233 A HN 0.786 nan 8.150 nan 0.000 0.442 1234 S N -1.427 114.290 115.700 0.029 0.000 2.481 1234 S HA -0.071 4.399 4.470 0.000 0.000 0.231 1234 S C 1.562 176.037 174.600 -0.208 0.000 0.996 1234 S CA 1.633 59.802 58.200 -0.052 0.000 0.942 1234 S CB -0.604 62.659 63.200 0.104 0.000 0.768 1234 S HN 0.462 nan 8.310 nan 0.000 0.520 1235 T N 1.641 116.174 114.554 -0.034 0.000 3.031 1235 T HA 0.167 4.517 4.350 0.000 0.000 0.254 1235 T C 1.844 176.470 174.700 -0.122 0.000 1.060 1235 T CA 0.907 62.961 62.100 -0.076 0.000 1.135 1235 T CB -0.224 68.611 68.868 -0.055 0.000 0.896 1235 T HN 0.460 nan 8.240 nan 0.000 0.472 1236 S N 1.208 116.858 115.700 -0.083 0.000 2.522 1236 S HA -0.030 4.440 4.470 0.000 0.000 0.227 1236 S C 2.108 176.670 174.600 -0.063 0.000 0.986 1236 S CA 0.673 58.838 58.200 -0.057 0.000 0.929 1236 S CB -0.275 62.910 63.200 -0.024 0.000 0.769 1236 S HN 0.458 nan 8.310 nan 0.000 0.529 1237 T N 1.695 116.187 114.554 -0.103 0.000 2.942 1237 T HA 0.034 4.384 4.350 0.000 0.000 0.265 1237 T C 1.922 176.549 174.700 -0.121 0.000 1.062 1237 T CA 0.696 62.731 62.100 -0.108 0.000 1.139 1237 T CB -0.131 68.650 68.868 -0.146 0.000 0.883 1237 T HN 0.196 nan 8.240 nan 0.000 0.468 1238 V N 1.473 121.280 119.914 -0.177 0.000 2.379 1238 V HA -0.107 4.013 4.120 0.000 0.000 0.245 1238 V C 2.596 178.717 176.094 0.045 0.000 1.044 1238 V CA 1.503 63.734 62.300 -0.114 0.000 1.036 1238 V CB -0.491 31.235 31.823 -0.162 0.000 0.664 1238 V HN 0.345 nan 8.190 nan 0.000 0.453 1239 R N -0.141 120.375 120.500 0.026 0.000 2.073 1239 R HA -0.130 4.210 4.340 0.000 0.000 0.234 1239 R C 2.457 178.750 176.300 -0.011 0.000 1.134 1239 R CA 1.994 58.110 56.100 0.027 0.000 0.952 1239 R CB -0.763 29.537 30.300 0.001 0.000 0.850 1239 R HN 0.503 nan 8.270 nan 0.000 0.433 1240 T N 0.981 115.519 114.554 -0.028 0.000 2.684 1240 T HA -0.169 4.181 4.350 0.000 0.000 0.267 1240 T C 1.968 176.665 174.700 -0.006 0.000 1.036 1240 T CA 1.503 63.584 62.100 -0.032 0.000 1.148 1240 T CB -0.338 68.513 68.868 -0.028 0.000 0.863 1240 T HN 0.384 nan 8.240 nan 0.000 0.436 1241 A N 1.489 124.315 122.820 0.010 0.000 1.883 1241 A HA 0.067 4.388 4.320 0.000 0.000 0.217 1241 A C 2.661 180.301 177.584 0.092 0.000 1.186 1241 A CA 1.944 54.003 52.037 0.037 0.000 0.624 1241 A CB -1.423 17.587 19.000 0.016 0.000 0.822 1241 A HN 0.527 nan 8.150 nan 0.000 0.444 1242 G N -0.149 108.742 108.800 0.151 0.000 2.443 1242 G HA2 -0.163 3.798 3.960 0.000 0.000 0.219 1242 G HA3 -0.163 3.798 3.960 0.000 0.000 0.219 1242 G C 1.916 176.820 174.900 0.007 0.000 1.131 1242 G CA 1.719 46.961 45.100 0.237 0.000 0.775 1242 G HN 0.869 nan 8.290 nan 0.000 0.547 1243 S N 1.677 117.344 115.700 -0.054 0.000 2.370 1243 S HA -0.219 4.251 4.470 0.000 0.000 0.226 1243 S C 2.503 177.091 174.600 -0.019 0.000 1.033 1243 S CA 2.063 60.210 58.200 -0.088 0.000 1.011 1243 S CB -0.816 62.337 63.200 -0.078 0.000 0.852 1243 S HN 0.605 nan 8.310 nan 0.000 0.457 1244 S N 0.870 116.582 115.700 0.021 0.000 2.442 1244 S HA 0.298 4.768 4.470 0.000 0.000 0.236 1244 S C 1.742 176.390 174.600 0.080 0.000 1.007 1244 S CA 0.855 59.080 58.200 0.042 0.000 0.965 1244 S CB -0.939 62.287 63.200 0.044 0.000 0.773 1244 S HN 1.704 nan 8.310 nan 0.000 0.504 1245 G N 0.536 109.416 108.800 0.133 0.000 2.168 1245 G HA2 0.064 4.024 3.960 0.000 0.000 0.197 1245 G HA3 0.064 4.024 3.960 0.000 0.000 0.197 1245 G C 0.174 175.215 174.900 0.235 0.000 0.997 1245 G CA -0.170 45.052 45.100 0.204 0.000 0.658 1245 G HN 1.182 nan 8.290 nan 0.000 0.513 1246 A N 0.403 123.351 122.820 0.214 0.000 2.531 1246 A HA 0.509 4.829 4.320 0.000 0.000 0.236 1246 A C 0.860 178.596 177.584 0.254 0.000 1.062 1246 A CA 0.711 52.863 52.037 0.192 0.000 0.760 1246 A CB -0.088 18.994 19.000 0.138 0.000 0.995 1246 A HN 1.867 nan 8.150 nan 0.000 0.501 1247 N N 2.333 121.151 118.700 0.197 0.000 2.374 1247 N HA 0.148 4.888 4.740 0.000 0.000 0.241 1247 N C -2.226 173.267 175.510 -0.028 0.000 1.262 1247 N CA -0.459 52.699 53.050 0.180 0.000 0.880 1247 N CB 0.092 38.732 38.487 0.255 0.000 1.105 1247 N HN 0.239 nan 8.380 nan 0.000 0.438 1248 P HA -0.125 nan 4.420 nan 0.000 0.215 1248 P C 0.736 177.652 177.300 -0.641 0.000 1.157 1248 P CA 1.473 63.977 63.100 -0.995 0.000 0.868 1248 P CB -0.094 30.804 31.700 -1.337 0.000 0.788 1249 F N 0.354 120.209 119.950 -0.159 0.000 2.069 1249 F HA -0.201 4.326 4.527 0.000 0.000 0.298 1249 F C 2.547 178.311 175.800 -0.060 0.000 1.113 1249 F CA 1.411 59.374 58.000 -0.062 0.000 1.214 1249 F CB -1.779 37.240 39.000 0.033 0.000 0.978 1249 F HN -0.124 nan 8.300 nan 0.000 0.474 1250 A N -0.714 122.195 122.820 0.149 0.000 1.978 1250 A HA -0.194 4.127 4.320 0.000 0.000 0.220 1250 A C 2.198 179.774 177.584 -0.014 0.000 1.170 1250 A CA 1.817 53.895 52.037 0.069 0.000 0.636 1250 A CB -1.527 17.520 19.000 0.079 0.000 0.810 1250 A HN 0.562 nan 8.150 nan 0.000 0.448 1251 C N -0.569 118.679 119.300 -0.086 0.000 2.466 1251 C HA -0.001 4.459 4.460 0.000 0.000 0.278 1251 C C 2.418 177.295 174.990 -0.188 0.000 1.288 1251 C CA 0.541 59.472 59.018 -0.145 0.000 1.722 1251 C CB -0.941 26.661 27.740 -0.231 0.000 2.017 1251 C HN 0.589 nan 8.230 nan 0.000 0.488 1252 I N 1.786 122.261 120.570 -0.158 0.000 2.614 1252 I HA -0.106 4.064 4.170 0.000 0.000 0.258 1252 I C 2.600 178.697 176.117 -0.034 0.000 1.189 1252 I CA 1.579 62.852 61.300 -0.045 0.000 1.462 1252 I CB -1.534 36.496 38.000 0.051 0.000 1.092 1252 I HN 0.273 nan 8.210 nan 0.000 0.442 1253 A N 0.690 123.494 122.820 -0.027 0.000 2.016 1253 A HA 0.127 4.447 4.320 0.000 0.000 0.217 1253 A C 2.554 180.106 177.584 -0.054 0.000 1.162 1253 A CA 1.225 53.259 52.037 -0.006 0.000 0.662 1253 A CB -0.349 18.667 19.000 0.026 0.000 0.812 1253 A HN 0.360 nan 8.150 nan 0.000 0.450 1254 A N -0.199 122.554 122.820 -0.112 0.000 1.873 1254 A HA 0.186 4.506 4.320 0.000 0.000 0.215 1254 A C 2.377 179.823 177.584 -0.230 0.000 1.186 1254 A CA 1.724 53.686 52.037 -0.126 0.000 0.616 1254 A CB -1.336 17.589 19.000 -0.126 0.000 0.823 1254 A HN 0.652 nan 8.150 nan 0.000 0.442 1255 G N 0.241 108.735 108.800 -0.510 0.000 2.440 1255 G HA2 -0.216 3.744 3.960 0.000 0.000 0.218 1255 G HA3 -0.216 3.744 3.960 0.000 0.000 0.218 1255 G C 1.518 176.125 174.900 -0.488 0.000 1.154 1255 G CA 1.186 45.718 45.100 -0.947 0.000 0.767 1255 G HN 0.481 nan 8.290 nan 0.000 0.552 1256 I N 1.423 121.876 120.570 -0.196 0.000 2.163 1256 I HA -0.207 3.963 4.170 0.000 0.000 0.243 1256 I C 3.261 179.493 176.117 0.191 0.000 1.085 1256 I CA 1.116 62.493 61.300 0.128 0.000 1.347 1256 I CB -0.249 37.804 38.000 0.089 0.000 1.044 1256 I HN 0.243 nan 8.210 nan 0.000 0.408 1257 A N -0.488 122.438 122.820 0.177 0.000 2.015 1257 A HA -0.190 4.130 4.320 0.000 0.000 0.219 1257 A C 2.440 180.210 177.584 0.310 0.000 1.163 1257 A CA 2.020 54.276 52.037 0.366 0.000 0.646 1257 A CB -0.503 18.624 19.000 0.212 0.000 0.806 1257 A HN 0.423 nan 8.150 nan 0.000 0.448 1258 S N -1.492 114.289 115.700 0.135 0.000 2.503 1258 S HA 0.055 4.525 4.470 0.000 0.000 0.217 1258 S C 1.664 176.335 174.600 0.119 0.000 0.999 1258 S CA 0.678 58.920 58.200 0.070 0.000 0.914 1258 S CB -0.268 62.914 63.200 -0.030 0.000 0.782 1258 S HN 0.350 nan 8.310 nan 0.000 0.520 1259 L N 1.690 123.040 121.223 0.211 0.000 2.179 1259 L HA 0.237 4.577 4.340 0.000 0.000 0.208 1259 L C 1.814 178.854 176.870 0.284 0.000 1.096 1259 L CA 1.177 56.181 54.840 0.274 0.000 0.779 1259 L CB -0.432 41.865 42.059 0.396 0.000 0.922 1259 L HN 0.778 nan 8.230 nan 0.000 0.443 1260 W N -1.102 120.208 121.300 0.017 0.000 3.239 1260 W HA 0.430 5.090 4.660 0.000 0.000 0.368 1260 W C 1.308 177.667 176.519 -0.267 0.000 1.154 1260 W CA -0.121 57.188 57.345 -0.059 0.000 1.860 1260 W CB -1.654 27.791 29.460 -0.025 0.000 1.094 1260 W HN 0.145 nan 8.180 nan 0.000 0.643 1261 G N 3.092 111.748 108.800 -0.239 0.000 2.513 1261 G HA2 -0.295 3.665 3.960 0.000 0.000 0.219 1261 G HA3 -0.295 3.665 3.960 0.000 0.000 0.219 1261 G C -0.736 173.786 174.900 -0.629 0.000 1.160 1261 G CA 1.385 46.161 45.100 -0.540 0.000 0.767 1261 G HN 0.208 nan 8.290 nan 0.000 0.571 1262 P HA 0.129 nan 4.420 nan 0.000 0.226 1262 P C 1.894 179.060 177.300 -0.224 0.000 1.153 1262 P CA 1.337 64.326 63.100 -0.185 0.000 0.777 1262 P CB 0.089 31.762 31.700 -0.045 0.000 0.794 1263 A N 0.567 123.226 122.820 -0.268 0.000 1.854 1263 A HA -0.191 4.129 4.320 0.000 0.000 0.214 1263 A C 2.086 179.537 177.584 -0.221 0.000 1.192 1263 A CA 1.902 53.846 52.037 -0.154 0.000 0.611 1263 A CB -1.679 17.383 19.000 0.103 0.000 0.832 1263 A HN 0.334 nan 8.150 nan 0.000 0.442 1264 H N -2.289 116.580 119.070 -0.334 0.000 2.431 1264 H HA 0.270 4.826 4.556 0.000 0.000 0.295 1264 H C 1.847 177.014 175.328 -0.268 0.000 1.038 1264 H CA 0.809 56.628 56.048 -0.382 0.000 1.360 1264 H CB -1.153 28.134 29.762 -0.792 0.000 1.433 1264 H HN 0.266 nan 8.280 nan 0.000 0.536 1265 G N 0.389 108.964 108.800 -0.375 0.000 2.527 1265 G HA2 -0.184 3.776 3.960 0.000 0.000 0.219 1265 G HA3 -0.184 3.776 3.960 0.000 0.000 0.219 1265 G C 1.653 176.518 174.900 -0.059 0.000 1.117 1265 G CA 0.622 45.656 45.100 -0.112 0.000 0.759 1265 G HN 0.668 nan 8.290 nan 0.000 0.556 1266 G N 0.415 109.164 108.800 -0.084 0.000 2.637 1266 G HA2 0.374 4.334 3.960 0.000 0.000 0.215 1266 G HA3 0.374 4.334 3.960 0.000 0.000 0.215 1266 G C 0.498 175.406 174.900 0.013 0.000 1.289 1266 G CA 1.527 46.614 45.100 -0.021 0.000 0.816 1266 G HN 1.423 nan 8.290 nan 0.000 0.580 1267 A N -1.989 120.829 122.820 -0.004 0.000 2.479 1267 A HA 0.387 4.707 4.320 0.000 0.000 0.297 1267 A C 0.714 178.302 177.584 0.007 0.000 0.967 1267 A CA 0.434 52.479 52.037 0.013 0.000 0.606 1267 A CB -0.389 18.631 19.000 0.033 0.000 1.382 1267 A HN 0.440 nan 8.150 nan 0.000 0.457 1268 N N 0.686 119.394 118.700 0.013 0.000 2.348 1268 N HA -0.165 4.575 4.740 0.000 0.000 0.185 1268 N C 0.418 175.936 175.510 0.014 0.000 1.019 1268 N CA 1.730 54.790 53.050 0.016 0.000 0.880 1268 N CB -0.097 38.400 38.487 0.017 0.000 0.965 1268 N HN 0.911 nan 8.380 nan 0.000 0.437 1269 E N -1.590 118.620 120.200 0.018 0.000 4.120 1269 E HA 0.585 4.936 4.350 0.000 0.000 0.202 1269 E C 0.149 176.774 176.600 0.042 0.000 1.067 1269 E CA -0.416 55.998 56.400 0.023 0.000 1.424 1269 E CB 0.556 30.272 29.700 0.027 0.000 1.164 1269 E HN 0.159 nan 8.360 nan 0.000 0.439 1270 A N 1.396 124.232 122.820 0.027 0.000 1.835 1270 A HA 0.326 4.646 4.320 0.000 0.000 0.213 1270 A C 2.051 179.706 177.584 0.119 0.000 1.210 1270 A CA 1.196 53.290 52.037 0.094 0.000 0.605 1270 A CB -0.230 18.796 19.000 0.044 0.000 0.860 1270 A HN 0.458 nan 8.150 nan 0.000 0.447 1271 A N -1.681 121.050 122.820 -0.147 0.000 2.574 1271 A HA 0.562 4.882 4.320 0.000 0.000 0.283 1271 A C 0.778 178.331 177.584 -0.050 0.000 1.270 1271 A CA -0.076 51.870 52.037 -0.152 0.000 0.945 1271 A CB -0.094 18.511 19.000 -0.659 0.000 1.127 1271 A HN 0.313 nan 8.150 nan 0.000 0.522 1272 L N -1.558 119.656 121.223 -0.016 0.000 2.948 1272 L HA 0.293 4.633 4.340 0.000 0.000 0.259 1272 L C 1.820 178.698 176.870 0.014 0.000 1.136 1272 L CA 0.621 55.457 54.840 -0.006 0.000 0.959 1272 L CB -0.192 41.859 42.059 -0.014 0.000 1.370 1272 L HN 0.340 nan 8.230 nan 0.000 0.552 1273 K N 0.717 121.138 120.400 0.034 0.000 1.978 1273 K HA -0.161 4.160 4.320 0.000 0.000 0.214 1273 K C 1.924 178.543 176.600 0.032 0.000 1.049 1273 K CA 1.719 58.028 56.287 0.037 0.000 0.939 1273 K CB -0.049 32.484 32.500 0.055 0.000 0.721 1273 K HN 0.115 nan 8.250 nan 0.000 0.441 1274 M N 1.252 120.879 119.600 0.046 0.000 2.549 1274 M HA -0.081 4.399 4.480 0.000 0.000 0.260 1274 M C 1.843 178.148 176.300 0.007 0.000 1.076 1274 M CA 0.983 56.306 55.300 0.038 0.000 1.090 1274 M CB -0.439 32.197 32.600 0.061 0.000 1.418 1274 M HN 0.253 nan 8.290 nan 0.000 0.486 1275 L N -0.466 120.757 121.223 -0.000 0.000 2.362 1275 L HA -0.144 4.196 4.340 0.000 0.000 0.219 1275 L C 2.072 178.913 176.870 -0.047 0.000 1.134 1275 L CA 0.784 55.604 54.840 -0.034 0.000 0.807 1275 L CB -0.638 41.407 42.059 -0.024 0.000 0.927 1275 L HN 0.234 nan 8.230 nan 0.000 0.447 1276 E N 0.680 120.866 120.200 -0.023 0.000 2.400 1276 E HA -0.130 4.221 4.350 0.000 0.000 0.195 1276 E C 1.488 178.078 176.600 -0.016 0.000 1.012 1276 E CA 0.324 56.713 56.400 -0.019 0.000 0.875 1276 E CB 0.243 29.942 29.700 -0.003 0.000 0.859 1276 E HN 0.317 nan 8.360 nan 0.000 0.498 1277 E N 0.191 120.384 120.200 -0.013 0.000 2.335 1277 E HA 0.041 4.391 4.350 0.000 0.000 0.191 1277 E C 0.566 177.157 176.600 -0.015 0.000 1.077 1277 E CA -0.138 56.266 56.400 0.006 0.000 1.010 1277 E CB 0.022 29.741 29.700 0.031 0.000 1.141 1277 E HN 0.231 nan 8.360 nan 0.000 0.452 1278 I N 0.948 121.467 120.570 -0.086 0.000 3.904 1278 I HA 0.012 4.182 4.170 0.000 0.000 0.333 1278 I C 1.062 177.131 176.117 -0.081 0.000 1.361 1278 I CA 0.538 61.713 61.300 -0.209 0.000 1.116 1278 I CB 0.003 37.757 38.000 -0.409 0.000 1.028 1278 I HN 0.121 nan 8.210 nan 0.000 0.398 1279 S N -1.465 114.230 115.700 -0.008 0.000 2.524 1279 S HA 0.018 4.488 4.470 0.000 0.000 0.222 1279 S C 1.685 176.320 174.600 0.059 0.000 1.040 1279 S CA 0.443 58.658 58.200 0.026 0.000 0.915 1279 S CB 0.056 63.261 63.200 0.009 0.000 0.831 1279 S HN 0.399 nan 8.310 nan 0.000 0.492 1280 S N 1.694 117.434 115.700 0.066 0.000 2.499 1280 S HA 0.161 4.631 4.470 0.000 0.000 0.225 1280 S C 1.195 175.861 174.600 0.110 0.000 1.050 1280 S CA 0.448 58.694 58.200 0.076 0.000 0.928 1280 S CB -0.265 62.969 63.200 0.056 0.000 0.803 1280 S HN 0.952 nan 8.310 nan 0.000 0.506 1281 V N 0.244 120.244 119.914 0.143 0.000 2.982 1281 V HA 0.504 4.624 4.120 0.000 0.000 0.368 1281 V C 0.839 177.116 176.094 0.306 0.000 1.350 1281 V CA -0.292 62.121 62.300 0.188 0.000 1.251 1281 V CB -0.557 31.363 31.823 0.162 0.000 1.284 1281 V HN 0.424 nan 8.190 nan 0.000 0.533 1282 K N -1.283 119.316 120.400 0.331 0.000 2.611 1282 K HA 0.015 4.335 4.320 0.000 0.000 0.193 1282 K C 1.575 178.318 176.600 0.239 0.000 1.026 1282 K CA 0.954 57.544 56.287 0.507 0.000 1.063 1282 K CB -0.819 31.919 32.500 0.396 0.000 0.839 1282 K HN 0.566 nan 8.250 nan 0.000 0.505 1283 H N 0.587 119.713 119.070 0.094 0.000 2.421 1283 H HA 0.018 4.574 4.556 0.000 0.000 0.298 1283 H C -0.195 175.096 175.328 -0.060 0.000 1.087 1283 H CA 0.847 56.907 56.048 0.021 0.000 1.330 1283 H CB 0.359 30.137 29.762 0.027 0.000 1.388 1283 H HN 0.288 nan 8.280 nan 0.000 0.526 1284 I N 2.316 122.901 120.570 0.024 0.000 2.355 1284 I HA 0.210 4.380 4.170 0.000 0.000 0.288 1284 I C -2.280 173.402 176.117 -0.724 0.000 0.999 1284 I CA -2.515 58.694 61.300 -0.151 0.000 1.163 1284 I CB 1.615 39.618 38.000 0.006 0.000 1.316 1284 I HN -0.138 nan 8.210 nan 0.000 0.454 1285 P HA 0.031 nan 4.420 nan 0.000 0.285 1285 P C 0.089 176.927 177.300 -0.771 0.000 1.521 1285 P CA 0.804 63.387 63.100 -0.862 0.000 0.792 1285 P CB 0.332 31.849 31.700 -0.304 0.000 1.613 1286 E N -2.525 117.137 120.200 -0.898 0.000 2.476 1286 E HA 0.035 4.385 4.350 0.000 0.000 0.267 1286 E C 0.645 177.196 176.600 -0.081 0.000 1.111 1286 E CA 0.030 56.267 56.400 -0.272 0.000 1.903 1286 E CB -1.084 28.418 29.700 -0.329 0.000 3.037 1286 E HN -0.101 nan 8.360 nan 0.000 1.041 1287 F N 2.581 122.530 119.950 -0.002 0.000 2.722 1287 F HA 0.177 4.704 4.527 0.000 0.000 0.298 1287 F C 0.721 176.649 175.800 0.212 0.000 1.175 1287 F CA 0.408 58.461 58.000 0.088 0.000 1.462 1287 F CB -0.251 38.760 39.000 0.018 0.000 1.111 1287 F HN 0.019 nan 8.300 nan 0.000 0.592 1288 F N -0.575 119.458 119.950 0.138 0.000 2.370 1288 F HA 0.591 5.118 4.527 0.000 0.000 0.324 1288 F C 0.990 176.834 175.800 0.072 0.000 1.116 1288 F CA -2.637 55.424 58.000 0.102 0.000 1.123 1288 F CB -0.332 38.718 39.000 0.084 0.000 1.238 1288 F HN 0.036 nan 8.300 nan 0.000 0.536 1289 R N 0.577 121.157 120.500 0.133 0.000 3.878 1289 R HA -0.293 4.047 4.340 0.000 0.000 0.446 1289 R C 0.905 177.267 176.300 0.103 0.000 0.241 1289 R CA 1.291 57.394 56.100 0.003 0.000 1.411 1289 R CB -0.747 29.398 30.300 -0.258 0.000 1.019 1289 R HN 0.941 nan 8.270 nan 0.000 0.555 1290 R N 0.871 121.420 120.500 0.083 0.000 4.219 1290 R HA 0.074 4.415 4.340 0.000 0.000 0.203 1290 R C 0.302 176.676 176.300 0.122 0.000 2.173 1290 R CA 1.020 57.194 56.100 0.123 0.000 1.776 1290 R CB -0.482 29.897 30.300 0.132 0.000 1.150 1290 R HN 0.456 nan 8.270 nan 0.000 0.637 1291 A N -0.481 122.410 122.820 0.118 0.000 2.480 1291 A HA 0.096 4.416 4.320 0.000 0.000 0.191 1291 A C 1.374 179.095 177.584 0.229 0.000 1.503 1291 A CA -0.305 51.769 52.037 0.062 0.000 1.110 1291 A CB 0.434 19.277 19.000 -0.262 0.000 1.401 1291 A HN 0.346 nan 8.150 nan 0.000 0.533 1292 K N -0.333 120.179 120.400 0.188 0.000 2.474 1292 K HA 0.039 4.359 4.320 0.000 0.000 0.204 1292 K C 1.073 177.705 176.600 0.053 0.000 1.220 1292 K CA 0.621 56.984 56.287 0.126 0.000 0.966 1292 K CB 0.250 32.856 32.500 0.177 0.000 1.049 1292 K HN 0.239 nan 8.250 nan 0.000 0.554 1293 D N 2.730 123.182 120.400 0.087 0.000 2.156 1293 D HA -0.215 4.425 4.640 0.000 0.000 0.190 1293 D C -0.099 176.256 176.300 0.092 0.000 0.998 1293 D CA 1.406 55.466 54.000 0.099 0.000 0.842 1293 D CB -0.071 40.808 40.800 0.132 0.000 0.974 1293 D HN 0.296 nan 8.370 nan 0.000 0.447 1294 K N 1.302 121.754 120.400 0.086 0.000 2.161 1294 K HA -0.077 4.243 4.320 0.000 0.000 0.260 1294 K C 0.351 176.949 176.600 -0.003 0.000 1.158 1294 K CA 0.139 56.453 56.287 0.044 0.000 1.172 1294 K CB 0.109 32.627 32.500 0.030 0.000 0.917 1294 K HN 0.048 nan 8.250 nan 0.000 0.410 1295 N N 1.999 120.700 118.700 0.001 0.000 2.436 1295 N HA -0.109 4.631 4.740 0.000 0.000 0.178 1295 N C -0.415 175.069 175.510 -0.042 0.000 1.026 1295 N CA 0.527 53.587 53.050 0.018 0.000 0.880 1295 N CB 0.441 38.939 38.487 0.018 0.000 1.061 1295 N HN 0.640 nan 8.380 nan 0.000 0.434 1296 D N 0.892 121.188 120.400 -0.174 0.000 2.505 1296 D HA 0.175 4.815 4.640 0.000 0.000 0.242 1296 D C -0.824 174.992 176.300 -0.806 0.000 1.136 1296 D CA -0.149 53.628 54.000 -0.372 0.000 0.954 1296 D CB 0.197 40.808 40.800 -0.315 0.000 1.002 1296 D HN 0.070 nan 8.370 nan 0.000 0.512 1297 S N 1.777 117.187 115.700 -0.483 0.000 2.553 1297 S HA 0.019 4.489 4.470 0.000 0.000 0.293 1297 S C -0.116 174.103 174.600 -0.635 0.000 1.296 1297 S CA 0.322 58.267 58.200 -0.425 0.000 1.046 1297 S CB 0.183 63.241 63.200 -0.236 0.000 0.810 1297 S HN 0.293 nan 8.310 nan 0.000 0.505 1298 F N 0.682 120.675 119.950 0.072 0.000 2.540 1298 F HA 0.466 4.993 4.527 0.000 0.000 0.317 1298 F C 0.879 176.751 175.800 0.120 0.000 1.104 1298 F CA -1.219 56.830 58.000 0.082 0.000 0.913 1298 F CB 1.679 40.736 39.000 0.095 0.000 1.170 1298 F HN 0.528 nan 8.300 nan 0.000 0.450 1299 R N 1.821 122.470 120.500 0.249 0.000 2.317 1299 R HA 0.177 4.517 4.340 0.000 0.000 0.208 1299 R C 0.856 177.239 176.300 0.139 0.000 0.914 1299 R CA 0.745 56.930 56.100 0.142 0.000 1.060 1299 R CB 0.005 30.319 30.300 0.023 0.000 1.015 1299 R HN 0.639 nan 8.270 nan 0.000 0.498 1300 L N 0.028 121.371 121.223 0.200 0.000 2.418 1300 L HA 0.259 4.599 4.340 0.000 0.000 0.218 1300 L C 1.166 178.130 176.870 0.157 0.000 1.125 1300 L CA 1.230 56.154 54.840 0.139 0.000 0.835 1300 L CB -0.203 41.909 42.059 0.088 0.000 0.953 1300 L HN 0.426 nan 8.230 nan 0.000 0.454 1301 M N -1.274 118.472 119.600 0.242 0.000 2.561 1301 M HA 0.146 4.626 4.480 0.000 0.000 0.238 1301 M C 1.173 177.560 176.300 0.144 0.000 1.131 1301 M CA 0.777 56.241 55.300 0.273 0.000 1.046 1301 M CB 0.261 33.137 32.600 0.460 0.000 1.532 1301 M HN 0.395 nan 8.290 nan 0.000 0.497 1302 G N 0.638 109.462 108.800 0.040 0.000 2.168 1302 G HA2 -0.206 3.755 3.960 0.000 0.000 0.197 1302 G HA3 -0.206 3.755 3.960 0.000 0.000 0.197 1302 G C -0.363 174.248 174.900 -0.482 0.000 0.997 1302 G CA -0.696 44.301 45.100 -0.171 0.000 0.658 1302 G HN 0.365 nan 8.290 nan 0.000 0.513 1303 F N 1.041 121.082 119.950 0.153 0.000 2.445 1303 F HA 0.636 5.163 4.527 0.000 0.000 0.348 1303 F C 0.850 176.610 175.800 -0.068 0.000 1.125 1303 F CA -0.084 57.956 58.000 0.067 0.000 0.983 1303 F CB 1.781 40.900 39.000 0.197 0.000 1.198 1303 F HN 0.974 nan 8.300 nan 0.000 0.436 1304 G N 2.046 110.731 108.800 -0.192 0.000 2.699 1304 G HA2 0.088 4.048 3.960 0.000 0.000 0.686 1304 G HA3 0.088 4.048 3.960 0.000 0.000 0.686 1304 G C -1.711 173.099 174.900 -0.150 0.000 1.301 1304 G CA -0.965 43.899 45.100 -0.394 0.000 0.816 1304 G HN 1.095 nan 8.290 nan 0.000 0.595 1305 H N -0.192 118.776 119.070 -0.169 0.000 3.153 1305 H HA 0.380 4.936 4.556 0.000 0.000 0.323 1305 H C 1.393 176.779 175.328 0.097 0.000 1.096 1305 H CA 0.025 56.124 56.048 0.085 0.000 1.385 1305 H CB 0.764 30.705 29.762 0.297 0.000 2.027 1305 H HN 0.846 nan 8.280 nan 0.000 0.499 1306 R N 2.587 123.322 120.500 0.393 0.000 2.120 1306 R HA -0.079 4.261 4.340 0.000 0.000 0.234 1306 R C 0.707 177.031 176.300 0.040 0.000 1.123 1306 R CA 2.025 58.230 56.100 0.175 0.000 0.975 1306 R CB -0.920 29.449 30.300 0.114 0.000 0.866 1306 R HN 0.294 nan 8.270 nan 0.000 0.446 1307 V N -0.038 119.822 119.914 -0.090 0.000 2.237 1307 V HA -0.143 3.978 4.120 0.000 0.000 0.245 1307 V C 0.682 176.430 176.094 -0.576 0.000 1.046 1307 V CA 1.338 63.324 62.300 -0.524 0.000 1.007 1307 V CB -0.619 30.590 31.823 -1.024 0.000 0.638 1307 V HN 0.217 nan 8.190 nan 0.000 0.445 1308 Y N -0.394 119.855 120.300 -0.086 0.000 2.376 1308 Y HA 0.344 4.895 4.550 0.000 0.000 0.325 1308 Y C 1.252 177.155 175.900 0.004 0.000 1.199 1308 Y CA -0.627 57.413 58.100 -0.100 0.000 1.206 1308 Y CB 0.905 39.243 38.460 -0.203 0.000 1.229 1308 Y HN -0.151 nan 8.280 nan 0.000 0.480 1309 K N 0.629 121.060 120.400 0.051 0.000 2.005 1309 K HA -0.053 4.267 4.320 0.000 0.000 0.206 1309 K C 0.705 177.365 176.600 0.100 0.000 1.044 1309 K CA 1.403 57.725 56.287 0.059 0.000 0.942 1309 K CB 0.075 32.571 32.500 -0.007 0.000 0.727 1309 K HN 0.699 nan 8.250 nan 0.000 0.439 1310 N N -1.114 117.493 118.700 -0.154 0.000 2.273 1310 N HA 0.072 4.812 4.740 0.000 0.000 0.192 1310 N C -0.599 174.601 175.510 -0.516 0.000 1.132 1310 N CA 0.223 53.200 53.050 -0.121 0.000 0.887 1310 N CB 0.962 39.487 38.487 0.063 0.000 1.048 1310 N HN 0.202 nan 8.380 nan 0.000 0.490 1311 Y N -2.211 117.575 120.300 -0.857 0.000 2.779 1311 Y HA 0.435 4.986 4.550 0.000 0.000 0.340 1311 Y C -1.728 173.744 175.900 -0.714 0.000 1.252 1311 Y CA -1.409 56.035 58.100 -1.093 0.000 1.072 1311 Y CB 0.570 38.736 38.460 -0.489 0.000 1.343 1311 Y HN -0.338 nan 8.280 nan 0.000 0.450 1312 D N 2.797 123.047 120.400 -0.250 0.000 2.329 1312 D HA 0.327 4.967 4.640 0.000 0.000 0.232 1312 D C -1.933 174.240 176.300 -0.212 0.000 1.088 1312 D CA -2.426 51.420 54.000 -0.257 0.000 0.835 1312 D CB 2.112 42.985 40.800 0.122 0.000 1.078 1312 D HN 0.439 nan 8.370 nan 0.000 0.495 1313 P HA -0.004 nan 4.420 nan 0.000 0.237 1313 P C 0.726 177.928 177.300 -0.163 0.000 1.178 1313 P CA 0.401 63.366 63.100 -0.225 0.000 0.766 1313 P CB 0.568 32.084 31.700 -0.307 0.000 0.876 1314 R N -0.326 120.076 120.500 -0.165 0.000 2.206 1314 R HA 0.262 4.602 4.340 0.000 0.000 0.198 1314 R C 2.286 178.565 176.300 -0.034 0.000 0.986 1314 R CA 0.706 56.744 56.100 -0.103 0.000 1.029 1314 R CB -0.465 29.754 30.300 -0.136 0.000 0.966 1314 R HN 0.054 nan 8.270 nan 0.000 0.487 1315 A N 0.876 123.709 122.820 0.022 0.000 2.168 1315 A HA -0.058 4.262 4.320 0.000 0.000 0.215 1315 A C 1.771 179.337 177.584 -0.031 0.000 1.152 1315 A CA 1.215 53.331 52.037 0.131 0.000 0.716 1315 A CB -0.487 18.693 19.000 0.299 0.000 0.794 1315 A HN 0.166 nan 8.150 nan 0.000 0.465 1316 T N -0.128 114.382 114.554 -0.073 0.000 2.588 1316 T HA -0.147 4.203 4.350 0.000 0.000 0.261 1316 T C 1.896 176.520 174.700 -0.128 0.000 1.069 1316 T CA 1.869 63.895 62.100 -0.125 0.000 1.172 1316 T CB -0.580 68.222 68.868 -0.110 0.000 0.863 1316 T HN 0.153 nan 8.240 nan 0.000 0.408 1317 V N 1.274 121.139 119.914 -0.082 0.000 2.343 1317 V HA -0.171 3.949 4.120 0.000 0.000 0.247 1317 V C 2.509 178.570 176.094 -0.055 0.000 1.051 1317 V CA 1.724 63.988 62.300 -0.061 0.000 1.036 1317 V CB -0.672 31.130 31.823 -0.034 0.000 0.654 1317 V HN 0.345 nan 8.190 nan 0.000 0.451 1318 M N -0.104 119.475 119.600 -0.035 0.000 2.202 1318 M HA -0.186 4.295 4.480 0.000 0.000 0.262 1318 M C 2.169 178.443 176.300 -0.043 0.000 1.063 1318 M CA 1.824 57.135 55.300 0.017 0.000 1.097 1318 M CB -0.573 32.095 32.600 0.113 0.000 1.382 1318 M HN 0.199 nan 8.290 nan 0.000 0.413 1319 R N -0.435 119.896 120.500 -0.282 0.000 2.090 1319 R HA -0.106 4.234 4.340 0.000 0.000 0.228 1319 R C 1.858 178.038 176.300 -0.200 0.000 1.110 1319 R CA 1.664 57.444 56.100 -0.533 0.000 0.973 1319 R CB -0.118 29.625 30.300 -0.928 0.000 0.869 1319 R HN 0.504 nan 8.270 nan 0.000 0.440 1320 E N -0.653 119.466 120.200 -0.135 0.000 2.072 1320 E HA -0.118 4.232 4.350 0.000 0.000 0.191 1320 E C 1.798 178.407 176.600 0.014 0.000 0.985 1320 E CA 1.733 58.104 56.400 -0.049 0.000 0.801 1320 E CB -0.056 29.612 29.700 -0.053 0.000 0.750 1320 E HN 0.299 nan 8.360 nan 0.000 0.452 1321 T N 0.763 115.318 114.554 0.001 0.000 2.833 1321 T HA -0.186 4.164 4.350 0.000 0.000 0.269 1321 T C 2.024 176.747 174.700 0.038 0.000 1.054 1321 T CA 0.916 63.030 62.100 0.022 0.000 1.135 1321 T CB -0.471 68.410 68.868 0.022 0.000 0.869 1321 T HN 0.311 nan 8.240 nan 0.000 0.466 1322 C N 0.997 120.326 119.300 0.049 0.000 2.429 1322 C HA -0.122 4.338 4.460 0.000 0.000 0.277 1322 C C 2.601 177.644 174.990 0.088 0.000 1.262 1322 C CA 1.117 60.181 59.018 0.076 0.000 1.733 1322 C CB -1.149 26.671 27.740 0.133 0.000 2.010 1322 C HN 0.684 nan 8.230 nan 0.000 0.483 1323 H N 0.826 119.898 119.070 0.003 0.000 2.326 1323 H HA -0.072 4.484 4.556 0.001 0.000 0.301 1323 H C 2.104 177.434 175.328 0.002 0.000 1.081 1323 H CA 2.376 58.426 56.048 0.005 0.000 1.334 1323 H CB -0.307 29.451 29.762 -0.007 0.000 1.385 1323 H HN 0.622 nan 8.280 nan 0.000 0.504 1324 E N -0.508 119.685 120.200 -0.011 0.000 2.085 1324 E HA -0.165 4.185 4.350 0.000 0.000 0.194 1324 E C 2.399 178.951 176.600 -0.081 0.000 0.994 1324 E CA 1.461 57.825 56.400 -0.062 0.000 0.801 1324 E CB -0.077 29.622 29.700 -0.002 0.000 0.743 1324 E HN 0.265 nan 8.360 nan 0.000 0.453 1325 V N 1.104 120.992 119.914 -0.044 0.000 2.237 1325 V HA -0.249 3.871 4.120 0.000 0.000 0.245 1325 V C 2.194 178.250 176.094 -0.063 0.000 1.046 1325 V CA 1.485 63.763 62.300 -0.036 0.000 1.007 1325 V CB -0.406 31.411 31.823 -0.009 0.000 0.638 1325 V HN 0.186 nan 8.190 nan 0.000 0.445 1326 L N 0.009 121.187 121.223 -0.075 0.000 2.191 1326 L HA -0.095 4.245 4.340 0.000 0.000 0.212 1326 L C 2.016 178.803 176.870 -0.139 0.000 1.103 1326 L CA 1.631 56.422 54.840 -0.083 0.000 0.769 1326 L CB -0.852 41.179 42.059 -0.048 0.000 0.908 1326 L HN 0.285 nan 8.230 nan 0.000 0.438 1327 K N -0.526 119.734 120.400 -0.232 0.000 2.745 1327 K HA -0.029 4.291 4.320 0.000 0.000 0.223 1327 K C 1.009 177.531 176.600 -0.131 0.000 1.057 1327 K CA 0.238 56.378 56.287 -0.245 0.000 1.217 1327 K CB 0.265 32.513 32.500 -0.420 0.000 0.993 1327 K HN 0.140 nan 8.250 nan 0.000 0.478 1328 E N -0.796 119.348 120.200 -0.093 0.000 2.701 1328 E HA 0.097 4.448 4.350 0.000 0.000 0.201 1328 E C 0.777 177.345 176.600 -0.053 0.000 0.961 1328 E CA 0.145 56.507 56.400 -0.063 0.000 1.659 1328 E CB 0.053 29.723 29.700 -0.051 0.000 1.970 1328 E HN 0.280 nan 8.360 nan 0.000 1.021 1329 L N 0.409 121.600 121.223 -0.053 0.000 2.591 1329 L HA 0.347 4.687 4.340 0.000 0.000 0.228 1329 L C 1.733 178.579 176.870 -0.041 0.000 1.133 1329 L CA 0.284 55.097 54.840 -0.046 0.000 0.880 1329 L CB -0.577 41.456 42.059 -0.044 0.000 1.033 1329 L HN 0.338 nan 8.230 nan 0.000 0.450 1330 G N 1.201 109.975 108.800 -0.044 0.000 2.689 1330 G HA2 -0.438 3.522 3.960 0.000 0.000 0.371 1330 G HA3 -0.438 3.522 3.960 0.000 0.000 0.371 1330 G C 0.721 175.607 174.900 -0.023 0.000 1.062 1330 G CA 1.244 46.323 45.100 -0.034 0.000 0.873 1330 G HN 0.315 nan 8.290 nan 0.000 0.697 1331 T N 1.287 115.829 114.554 -0.020 0.000 4.492 1331 T HA 0.418 4.768 4.350 0.000 0.000 0.222 1331 T C 1.089 175.780 174.700 -0.014 0.000 0.836 1331 T CA 1.461 63.553 62.100 -0.014 0.000 0.900 1331 T CB -0.016 68.844 68.868 -0.012 0.000 1.399 1331 T HN 0.619 nan 8.240 nan 0.000 0.877 1332 K N 0.268 120.660 120.400 -0.014 0.000 2.473 1332 K HA 0.098 4.419 4.320 0.000 0.000 0.183 1332 K C 0.680 177.274 176.600 -0.009 0.000 1.854 1332 K CA 0.042 56.321 56.287 -0.014 0.000 1.084 1332 K CB 0.446 32.933 32.500 -0.023 0.000 1.684 1332 K HN 0.118 nan 8.250 nan 0.000 0.565 1333 D N 0.233 120.628 120.400 -0.009 0.000 2.433 1333 D HA 0.031 4.671 4.640 0.000 0.000 0.211 1333 D C -0.009 176.295 176.300 0.007 0.000 1.114 1333 D CA 0.250 54.249 54.000 -0.003 0.000 0.837 1333 D CB 0.622 41.415 40.800 -0.011 0.000 0.984 1333 D HN 0.175 nan 8.370 nan 0.000 0.505 1334 D N 0.955 121.359 120.400 0.007 0.000 2.218 1334 D HA -0.114 4.526 4.640 0.000 0.000 0.204 1334 D C 2.317 178.630 176.300 0.021 0.000 0.976 1334 D CA 0.620 54.628 54.000 0.014 0.000 0.853 1334 D CB 0.176 40.982 40.800 0.010 0.000 0.939 1334 D HN 0.451 nan 8.370 nan 0.000 0.481 1335 L N -1.110 120.125 121.223 0.020 0.000 2.291 1335 L HA 0.058 4.398 4.340 0.000 0.000 0.214 1335 L C 1.545 178.436 176.870 0.034 0.000 1.120 1335 L CA 0.405 55.261 54.840 0.027 0.000 0.799 1335 L CB -0.439 41.634 42.059 0.024 0.000 0.925 1335 L HN -0.135 nan 8.230 nan 0.000 0.446 1336 L N 1.185 122.426 121.223 0.030 0.000 2.955 1336 L HA 0.158 4.498 4.340 0.000 0.000 0.238 1336 L C 1.411 178.306 176.870 0.042 0.000 1.359 1336 L CA 0.539 55.399 54.840 0.033 0.000 1.214 1336 L CB -0.843 41.229 42.059 0.021 0.000 1.600 1336 L HN 0.285 nan 8.230 nan 0.000 0.442 1337 E N -1.180 119.048 120.200 0.047 0.000 2.479 1337 E HA -0.033 4.317 4.350 0.000 0.000 0.193 1337 E C 1.635 178.273 176.600 0.064 0.000 1.049 1337 E CA 0.552 56.985 56.400 0.056 0.000 0.870 1337 E CB 0.418 30.145 29.700 0.045 0.000 0.944 1337 E HN 0.549 nan 8.360 nan 0.000 0.492 1338 V N -2.533 117.421 119.914 0.067 0.000 3.041 1338 V HA 0.084 4.204 4.120 0.000 0.000 0.260 1338 V C 2.200 178.361 176.094 0.111 0.000 1.105 1338 V CA 1.102 63.448 62.300 0.077 0.000 1.125 1338 V CB -0.276 31.599 31.823 0.085 0.000 0.730 1338 V HN 0.250 nan 8.190 nan 0.000 0.479 1339 A N 0.354 123.237 122.820 0.104 0.000 1.972 1339 A HA -0.134 4.186 4.320 0.000 0.000 0.219 1339 A C 2.280 180.020 177.584 0.259 0.000 1.169 1339 A CA 2.433 54.550 52.037 0.133 0.000 0.635 1339 A CB -0.436 18.596 19.000 0.052 0.000 0.810 1339 A HN 0.579 nan 8.150 nan 0.000 0.446 1340 M N -1.609 118.101 119.600 0.183 0.000 2.435 1340 M HA 0.004 4.484 4.480 0.000 0.000 0.265 1340 M C 1.913 178.286 176.300 0.123 0.000 1.104 1340 M CA 1.528 56.932 55.300 0.174 0.000 1.140 1340 M CB 0.190 32.866 32.600 0.126 0.000 1.372 1340 M HN 0.428 nan 8.290 nan 0.000 0.456 1341 E N 0.885 121.137 120.200 0.088 0.000 2.076 1341 E HA -0.102 4.248 4.350 0.000 0.000 0.190 1341 E C 1.766 178.370 176.600 0.007 0.000 0.979 1341 E CA 1.358 57.773 56.400 0.026 0.000 0.807 1341 E CB -0.480 29.215 29.700 -0.009 0.000 0.761 1341 E HN 0.530 nan 8.360 nan 0.000 0.454 1342 L N 0.674 121.947 121.223 0.084 0.000 2.042 1342 L HA -0.181 4.159 4.340 0.000 0.000 0.210 1342 L C 2.682 179.626 176.870 0.124 0.000 1.076 1342 L CA 1.941 56.854 54.840 0.123 0.000 0.749 1342 L CB -0.416 41.871 42.059 0.380 0.000 0.893 1342 L HN 0.346 nan 8.230 nan 0.000 0.432 1343 E N 0.166 120.498 120.200 0.221 0.000 2.106 1343 E HA -0.272 4.079 4.350 0.000 0.000 0.192 1343 E C 1.884 178.485 176.600 0.002 0.000 0.984 1343 E CA 1.416 57.866 56.400 0.084 0.000 0.806 1343 E CB 0.034 29.862 29.700 0.214 0.000 0.750 1343 E HN 0.378 nan 8.360 nan 0.000 0.458 1344 N N 0.560 119.266 118.700 0.010 0.000 2.120 1344 N HA -0.141 4.599 4.740 0.000 0.000 0.188 1344 N C 1.823 177.276 175.510 -0.095 0.000 1.024 1344 N CA 1.469 54.507 53.050 -0.021 0.000 0.852 1344 N CB -0.134 38.351 38.487 -0.003 0.000 1.003 1344 N HN 0.217 nan 8.380 nan 0.000 0.424 1345 I N 0.113 120.567 120.570 -0.194 0.000 2.226 1345 I HA -0.226 3.945 4.170 0.000 0.000 0.245 1345 I C 2.184 177.930 176.117 -0.617 0.000 1.100 1345 I CA 1.092 62.169 61.300 -0.370 0.000 1.374 1345 I CB -0.469 37.223 38.000 -0.514 0.000 1.057 1345 I HN 0.202 nan 8.210 nan 0.000 0.413 1346 A N 0.300 122.744 122.820 -0.627 0.000 2.024 1346 A HA -0.159 4.161 4.320 0.000 0.000 0.220 1346 A C 2.062 179.614 177.584 -0.054 0.000 1.164 1346 A CA 1.541 53.327 52.037 -0.418 0.000 0.643 1346 A CB -0.398 18.627 19.000 0.041 0.000 0.806 1346 A HN 0.340 nan 8.150 nan 0.000 0.451 1347 L N -0.814 120.380 121.223 -0.048 0.000 2.354 1347 L HA 0.136 4.476 4.340 0.000 0.000 0.212 1347 L C 1.649 178.541 176.870 0.037 0.000 1.091 1347 L CA 1.100 55.958 54.840 0.030 0.000 0.828 1347 L CB -0.233 41.842 42.059 0.027 0.000 0.973 1347 L HN 0.355 nan 8.230 nan 0.000 0.461 1348 N N -2.049 116.655 118.700 0.006 0.000 2.445 1348 N HA -0.006 4.734 4.740 0.000 0.000 0.204 1348 N C 0.261 175.812 175.510 0.069 0.000 1.098 1348 N CA 0.002 53.074 53.050 0.037 0.000 0.859 1348 N CB 0.604 39.108 38.487 0.027 0.000 1.249 1348 N HN 0.211 nan 8.380 nan 0.000 0.462 1349 D N 2.811 123.248 120.400 0.060 0.000 2.450 1349 D HA 0.018 4.658 4.640 0.000 0.000 0.247 1349 D C -1.574 174.886 176.300 0.267 0.000 1.162 1349 D CA -1.356 52.748 54.000 0.174 0.000 0.879 1349 D CB 2.036 42.962 40.800 0.211 0.000 1.163 1349 D HN -0.015 nan 8.370 nan 0.000 0.472 1350 P HA -0.190 nan 4.420 nan 0.000 0.215 1350 P C 1.216 178.650 177.300 0.224 0.000 1.157 1350 P CA 1.082 64.292 63.100 0.184 0.000 0.874 1350 P CB -0.124 31.657 31.700 0.136 0.000 0.790 1351 Y N -0.950 119.437 120.300 0.145 0.000 2.173 1351 Y HA -0.290 4.261 4.550 0.000 0.000 0.282 1351 Y C 1.923 177.802 175.900 -0.035 0.000 1.192 1351 Y CA 1.710 59.832 58.100 0.038 0.000 1.176 1351 Y CB -0.803 37.667 38.460 0.017 0.000 0.969 1351 Y HN -0.144 nan 8.280 nan 0.000 0.519 1352 F N -0.914 119.121 119.950 0.142 0.000 2.179 1352 F HA -0.073 4.454 4.527 0.000 0.000 0.292 1352 F C 2.261 178.083 175.800 0.036 0.000 1.089 1352 F CA 1.115 59.150 58.000 0.059 0.000 1.295 1352 F CB -0.816 38.218 39.000 0.057 0.000 1.041 1352 F HN -0.092 nan 8.300 nan 0.000 0.487 1353 I N -0.192 120.536 120.570 0.263 0.000 2.335 1353 I HA -0.242 3.928 4.170 0.000 0.000 0.251 1353 I C 2.561 178.735 176.117 0.096 0.000 1.129 1353 I CA 1.194 62.594 61.300 0.167 0.000 1.402 1353 I CB -0.373 37.709 38.000 0.137 0.000 1.069 1353 I HN 0.199 nan 8.210 nan 0.000 0.424 1354 E N 1.772 122.000 120.200 0.046 0.000 2.006 1354 E HA -0.215 4.136 4.350 0.000 0.000 0.192 1354 E C 1.742 178.310 176.600 -0.053 0.000 0.993 1354 E CA 1.499 57.887 56.400 -0.020 0.000 0.808 1354 E CB 0.077 29.731 29.700 -0.077 0.000 0.764 1354 E HN 0.252 nan 8.360 nan 0.000 0.449 1355 K N 0.882 121.206 120.400 -0.127 0.000 2.551 1355 K HA 0.036 4.356 4.320 0.000 0.000 0.192 1355 K C 0.088 176.658 176.600 -0.049 0.000 1.027 1355 K CA 0.062 56.266 56.287 -0.138 0.000 1.059 1355 K CB 0.135 32.471 32.500 -0.274 0.000 0.831 1355 K HN 0.030 nan 8.250 nan 0.000 0.508 1356 K N 0.246 120.667 120.400 0.035 0.000 3.096 1356 K HA -0.193 4.127 4.320 0.000 0.000 0.266 1356 K C -0.759 175.888 176.600 0.078 0.000 1.043 1356 K CA 0.480 56.845 56.287 0.129 0.000 0.758 1356 K CB -2.321 30.277 32.500 0.163 0.000 1.260 1356 K HN 0.277 nan 8.250 nan 0.000 0.481 1357 L N 2.388 123.677 121.223 0.110 0.000 2.376 1357 L HA 0.051 4.391 4.340 0.000 0.000 0.250 1357 L C 0.823 177.897 176.870 0.339 0.000 1.335 1357 L CA -0.530 54.411 54.840 0.168 0.000 1.214 1357 L CB -0.885 41.314 42.059 0.233 0.000 1.395 1357 L HN 0.097 nan 8.230 nan 0.000 0.424 1358 Y N 0.860 121.330 120.300 0.284 0.000 2.301 1358 Y HA 0.558 5.109 4.550 0.000 0.000 0.328 1358 Y C -2.519 173.442 175.900 0.100 0.000 1.242 1358 Y CA -4.196 54.027 58.100 0.205 0.000 1.323 1358 Y CB -0.486 38.084 38.460 0.184 0.000 1.266 1358 Y HN 0.147 nan 8.280 nan 0.000 0.527 1359 P HA 0.142 nan 4.420 nan 0.000 0.281 1359 P C -1.048 176.347 177.300 0.158 0.000 1.286 1359 P CA -0.140 62.758 63.100 -0.336 0.000 0.772 1359 P CB 0.486 31.658 31.700 -0.880 0.000 0.862 1360 N N 2.049 120.861 118.700 0.187 0.000 2.495 1360 N HA 0.092 4.832 4.740 0.000 0.000 0.294 1360 N C 1.049 176.745 175.510 0.309 0.000 1.276 1360 N CA -0.745 52.516 53.050 0.352 0.000 0.973 1360 N CB -0.543 38.188 38.487 0.406 0.000 1.143 1360 N HN 0.034 nan 8.380 nan 0.000 0.589 1361 V N -0.234 119.843 119.914 0.270 0.000 2.332 1361 V HA -0.238 3.882 4.120 0.000 0.000 0.248 1361 V C 1.028 177.246 176.094 0.206 0.000 1.055 1361 V CA 2.175 64.603 62.300 0.213 0.000 1.038 1361 V CB -0.870 30.963 31.823 0.016 0.000 0.651 1361 V HN 0.587 nan 8.190 nan 0.000 0.450 1362 D N -0.768 119.750 120.400 0.196 0.000 2.219 1362 D HA -0.172 4.468 4.640 0.000 0.000 0.205 1362 D C 1.857 178.168 176.300 0.019 0.000 0.970 1362 D CA 1.512 55.606 54.000 0.156 0.000 0.851 1362 D CB -0.223 40.677 40.800 0.166 0.000 0.943 1362 D HN 0.606 nan 8.370 nan 0.000 0.488 1363 F N 1.088 120.921 119.950 -0.195 0.000 2.075 1363 F HA -0.273 4.254 4.527 0.001 0.000 0.297 1363 F C 2.028 177.579 175.800 -0.415 0.000 1.113 1363 F CA 1.547 59.277 58.000 -0.449 0.000 1.218 1363 F CB -0.556 37.966 39.000 -0.797 0.000 0.984 1363 F HN -0.088 nan 8.300 nan 0.000 0.472 1364 Y N -0.361 119.940 120.300 0.003 0.000 2.286 1364 Y HA -0.090 4.460 4.550 0.000 0.000 0.293 1364 Y C 2.733 178.564 175.900 -0.114 0.000 1.124 1364 Y CA 1.056 59.108 58.100 -0.079 0.000 1.178 1364 Y CB -1.011 37.509 38.460 0.100 0.000 1.010 1364 Y HN -0.028 nan 8.280 nan 0.000 0.536 1365 S N 0.065 115.805 115.700 0.065 0.000 2.400 1365 S HA -0.189 4.281 4.470 0.000 0.000 0.232 1365 S C 2.341 176.815 174.600 -0.209 0.000 1.025 1365 S CA 1.244 59.443 58.200 -0.001 0.000 0.993 1365 S CB -0.876 62.398 63.200 0.123 0.000 0.808 1365 S HN 0.689 nan 8.310 nan 0.000 0.478 1366 G N 1.529 110.162 108.800 -0.278 0.000 2.402 1366 G HA2 -0.084 3.876 3.960 0.000 0.000 0.216 1366 G HA3 -0.084 3.876 3.960 0.000 0.000 0.216 1366 G C 1.313 176.014 174.900 -0.331 0.000 1.162 1366 G CA 0.476 45.322 45.100 -0.423 0.000 0.777 1366 G HN 0.505 nan 8.290 nan 0.000 0.539 1367 I N 0.558 120.960 120.570 -0.279 0.000 2.286 1367 I HA -0.127 4.044 4.170 0.000 0.000 0.248 1367 I C 2.586 178.638 176.117 -0.108 0.000 1.115 1367 I CA 0.740 61.929 61.300 -0.185 0.000 1.392 1367 I CB -0.163 37.721 38.000 -0.193 0.000 1.065 1367 I HN 0.162 nan 8.210 nan 0.000 0.418 1368 I N 0.421 120.928 120.570 -0.105 0.000 2.233 1368 I HA -0.258 3.912 4.170 0.000 0.000 0.243 1368 I C 2.458 178.521 176.117 -0.090 0.000 1.093 1368 I CA 1.370 62.632 61.300 -0.064 0.000 1.380 1368 I CB -0.267 37.715 38.000 -0.030 0.000 1.067 1368 I HN 0.181 nan 8.210 nan 0.000 0.413 1369 L N 0.563 121.656 121.223 -0.216 0.000 2.083 1369 L HA -0.224 4.116 4.340 0.000 0.000 0.209 1369 L C 2.530 179.369 176.870 -0.053 0.000 1.083 1369 L CA 1.536 56.223 54.840 -0.256 0.000 0.752 1369 L CB -0.565 40.991 42.059 -0.838 0.000 0.899 1369 L HN 0.215 nan 8.230 nan 0.000 0.433 1370 K N -0.035 120.340 120.400 -0.041 0.000 2.103 1370 K HA -0.061 4.259 4.320 0.000 0.000 0.204 1370 K C 2.270 178.899 176.600 0.047 0.000 1.052 1370 K CA 1.131 57.493 56.287 0.125 0.000 0.945 1370 K CB -0.195 32.371 32.500 0.110 0.000 0.722 1370 K HN 0.246 nan 8.250 nan 0.000 0.443 1371 A N 1.355 124.174 122.820 -0.002 0.000 1.933 1371 A HA -0.143 4.178 4.320 0.000 0.000 0.218 1371 A C 1.981 179.551 177.584 -0.023 0.000 1.175 1371 A CA 1.436 53.465 52.037 -0.012 0.000 0.628 1371 A CB -0.474 18.514 19.000 -0.020 0.000 0.814 1371 A HN 0.212 nan 8.150 nan 0.000 0.444 1372 M N -1.157 118.436 119.600 -0.012 0.000 2.659 1372 M HA 0.155 4.635 4.480 0.000 0.000 0.243 1372 M C 1.280 177.502 176.300 -0.129 0.000 1.111 1372 M CA 0.792 56.070 55.300 -0.037 0.000 1.070 1372 M CB 0.046 32.683 32.600 0.062 0.000 1.525 1372 M HN 0.626 nan 8.290 nan 0.000 0.517 1373 G N 1.741 110.510 108.800 -0.051 0.000 2.132 1373 G HA2 -0.224 3.736 3.960 0.000 0.000 0.234 1373 G HA3 -0.224 3.736 3.960 0.000 0.000 0.234 1373 G C -0.013 174.929 174.900 0.070 0.000 0.989 1373 G CA -0.397 44.668 45.100 -0.059 0.000 0.676 1373 G HN 0.471 nan 8.290 nan 0.000 0.522 1374 I N 2.456 123.130 120.570 0.174 0.000 2.365 1374 I HA 0.325 4.495 4.170 0.000 0.000 0.291 1374 I C -1.479 174.738 176.117 0.167 0.000 1.004 1374 I CA -2.361 59.060 61.300 0.200 0.000 1.311 1374 I CB 1.425 39.631 38.000 0.343 0.000 1.401 1374 I HN -0.061 nan 8.210 nan 0.000 0.491 1375 P HA 0.074 nan 4.420 nan 0.000 0.280 1375 P C 0.650 177.507 177.300 -0.737 0.000 1.244 1375 P CA -0.310 62.657 63.100 -0.221 0.000 0.784 1375 P CB 1.360 33.009 31.700 -0.085 0.000 0.913 1376 S N 3.020 118.178 115.700 -0.903 0.000 2.390 1376 S HA -0.288 4.183 4.470 0.000 0.000 0.234 1376 S C 1.953 175.974 174.600 -0.965 0.000 1.063 1376 S CA 2.309 59.703 58.200 -1.344 0.000 1.108 1376 S CB -2.020 60.877 63.200 -0.504 0.000 0.975 1376 S HN 0.632 nan 8.310 nan 0.000 0.442 1377 S N 1.707 117.112 115.700 -0.491 0.000 2.407 1377 S HA -0.031 4.439 4.470 0.000 0.000 0.235 1377 S C 1.496 176.042 174.600 -0.091 0.000 1.036 1377 S CA 1.405 59.446 58.200 -0.266 0.000 1.013 1377 S CB -0.706 62.244 63.200 -0.418 0.000 0.820 1377 S HN 0.482 nan 8.310 nan 0.000 0.476 1378 M N 0.651 120.127 119.600 -0.208 0.000 2.719 1378 M HA 0.379 4.860 4.480 0.000 0.000 0.247 1378 M C 0.163 176.598 176.300 0.225 0.000 1.287 1378 M CA -0.016 55.278 55.300 -0.011 0.000 1.004 1378 M CB -1.128 31.437 32.600 -0.058 0.000 1.514 1378 M HN 0.437 nan 8.290 nan 0.000 0.462 1379 F N -0.871 119.076 119.950 -0.005 0.000 2.500 1379 F HA 0.009 4.536 4.527 0.000 0.000 0.285 1379 F C 1.992 177.758 175.800 -0.057 0.000 1.088 1379 F CA 0.394 58.375 58.000 -0.032 0.000 1.432 1379 F CB 0.235 39.227 39.000 -0.014 0.000 1.131 1379 F HN 0.117 nan 8.300 nan 0.000 0.582 1380 T N 0.064 114.719 114.554 0.168 0.000 3.014 1380 T HA -0.048 4.302 4.350 0.000 0.000 0.263 1380 T C 2.051 176.757 174.700 0.009 0.000 1.078 1380 T CA 0.472 62.622 62.100 0.083 0.000 1.135 1380 T CB -0.140 68.802 68.868 0.123 0.000 0.895 1380 T HN -0.050 nan 8.240 nan 0.000 0.480 1381 V N 1.949 121.858 119.914 -0.008 0.000 2.233 1381 V HA -0.164 3.956 4.120 0.000 0.000 0.247 1381 V C 2.374 178.435 176.094 -0.054 0.000 1.050 1381 V CA 1.631 63.903 62.300 -0.047 0.000 1.010 1381 V CB -0.602 31.204 31.823 -0.027 0.000 0.637 1381 V HN 0.487 nan 8.190 nan 0.000 0.444 1382 I N 0.448 120.994 120.570 -0.041 0.000 2.335 1382 I HA -0.258 3.913 4.170 0.000 0.000 0.251 1382 I C 2.566 178.548 176.117 -0.226 0.000 1.129 1382 I CA 1.489 62.707 61.300 -0.138 0.000 1.402 1382 I CB -0.558 37.398 38.000 -0.073 0.000 1.069 1382 I HN 0.314 nan 8.210 nan 0.000 0.424 1383 A N 0.565 123.255 122.820 -0.215 0.000 1.929 1383 A HA 0.018 4.339 4.320 0.000 0.000 0.216 1383 A C 2.519 180.000 177.584 -0.171 0.000 1.176 1383 A CA 1.422 53.286 52.037 -0.287 0.000 0.628 1383 A CB -0.557 18.300 19.000 -0.239 0.000 0.816 1383 A HN 0.403 nan 8.150 nan 0.000 0.444 1384 A N -0.491 122.273 122.820 -0.094 0.000 1.968 1384 A HA -0.005 4.315 4.320 0.000 0.000 0.217 1384 A C 2.207 179.680 177.584 -0.186 0.000 1.169 1384 A CA 1.563 53.565 52.037 -0.059 0.000 0.638 1384 A CB -0.497 18.588 19.000 0.142 0.000 0.812 1384 A HN 0.636 nan 8.150 nan 0.000 0.446 1385 M N -0.274 119.235 119.600 -0.153 0.000 2.099 1385 M HA -0.067 4.413 4.480 0.000 0.000 0.262 1385 M C 2.209 178.395 176.300 -0.190 0.000 1.067 1385 M CA 1.790 56.996 55.300 -0.156 0.000 1.124 1385 M CB -0.260 32.213 32.600 -0.212 0.000 1.353 1385 M HN 0.350 nan 8.290 nan 0.000 0.410 1386 A N 0.503 123.181 122.820 -0.237 0.000 1.898 1386 A HA -0.170 4.151 4.320 0.000 0.000 0.216 1386 A C 2.079 179.599 177.584 -0.106 0.000 1.181 1386 A CA 1.755 53.694 52.037 -0.163 0.000 0.620 1386 A CB -0.656 18.270 19.000 -0.123 0.000 0.819 1386 A HN 0.569 nan 8.150 nan 0.000 0.442 1387 R N 0.006 120.307 120.500 -0.332 0.000 2.285 1387 R HA -0.015 4.325 4.340 0.000 0.000 0.213 1387 R C 1.725 177.407 176.300 -1.031 0.000 1.068 1387 R CA 1.764 57.475 56.100 -0.648 0.000 1.004 1387 R CB -1.361 28.459 30.300 -0.800 0.000 0.873 1387 R HN 0.448 nan 8.270 nan 0.000 0.467 1388 T N -0.534 113.605 114.554 -0.692 0.000 2.788 1388 T HA -0.140 4.210 4.350 0.000 0.000 0.268 1388 T C 1.706 176.348 174.700 -0.097 0.000 1.044 1388 T CA 1.448 63.364 62.100 -0.306 0.000 1.139 1388 T CB -0.358 68.499 68.868 -0.018 0.000 0.867 1388 T HN 0.158 nan 8.240 nan 0.000 0.454 1389 V N 1.324 121.193 119.914 -0.075 0.000 2.469 1389 V HA -0.083 4.037 4.120 0.000 0.000 0.251 1389 V C 2.387 178.451 176.094 -0.049 0.000 1.064 1389 V CA 2.333 64.600 62.300 -0.056 0.000 1.066 1389 V CB -1.008 30.734 31.823 -0.134 0.000 0.667 1389 V HN 0.555 nan 8.190 nan 0.000 0.461 1390 G N -1.167 107.580 108.800 -0.088 0.000 2.404 1390 G HA2 -0.211 3.749 3.960 0.000 0.000 0.214 1390 G HA3 -0.211 3.749 3.960 0.000 0.000 0.214 1390 G C 1.290 176.386 174.900 0.326 0.000 1.189 1390 G CA 0.823 45.958 45.100 0.059 0.000 0.789 1390 G HN 0.585 nan 8.290 nan 0.000 0.533 1391 W N 1.057 122.462 121.300 0.175 0.000 2.331 1391 W HA 0.015 4.675 4.660 0.000 0.000 0.291 1391 W C 2.452 179.082 176.519 0.185 0.000 1.214 1391 W CA 0.179 57.618 57.345 0.156 0.000 1.228 1391 W CB -1.007 28.490 29.460 0.062 0.000 1.135 1391 W HN 0.206 nan 8.180 nan 0.000 0.537 1392 I N 0.140 120.897 120.570 0.311 0.000 2.202 1392 I HA -0.268 3.902 4.170 0.000 0.000 0.242 1392 I C 2.591 178.869 176.117 0.269 0.000 1.091 1392 I CA 1.561 62.999 61.300 0.230 0.000 1.368 1392 I CB -0.986 37.061 38.000 0.079 0.000 1.058 1392 I HN -0.156 nan 8.210 nan 0.000 0.410 1393 A N 0.182 123.096 122.820 0.157 0.000 1.877 1393 A HA -0.218 4.102 4.320 0.000 0.000 0.216 1393 A C 2.244 179.856 177.584 0.046 0.000 1.186 1393 A CA 1.446 53.508 52.037 0.043 0.000 0.620 1393 A CB -0.945 18.008 19.000 -0.078 0.000 0.822 1393 A HN 0.410 nan 8.150 nan 0.000 0.443 1394 H N -2.580 116.586 119.070 0.160 0.000 2.270 1394 H HA -0.199 4.357 4.556 0.000 0.000 0.299 1394 H C 2.027 177.445 175.328 0.150 0.000 1.077 1394 H CA 1.968 58.104 56.048 0.146 0.000 1.294 1394 H CB -0.554 29.319 29.762 0.186 0.000 1.371 1394 H HN 0.795 nan 8.280 nan 0.000 0.491 1395 W N 2.140 123.540 121.300 0.167 0.000 2.321 1395 W HA -0.232 4.429 4.660 0.000 0.000 0.306 1395 W C 2.577 179.139 176.519 0.071 0.000 1.217 1395 W CA 2.070 59.458 57.345 0.072 0.000 1.257 1395 W CB -0.291 29.223 29.460 0.089 0.000 1.145 1395 W HN -0.046 nan 8.180 nan 0.000 0.509 1396 S N -0.276 115.531 115.700 0.177 0.000 2.383 1396 S HA -0.243 4.227 4.470 0.000 0.000 0.227 1396 S C 1.683 176.226 174.600 -0.094 0.000 1.026 1396 S CA 1.545 59.732 58.200 -0.022 0.000 0.981 1396 S CB -0.502 62.761 63.200 0.105 0.000 0.818 1396 S HN 0.511 nan 8.310 nan 0.000 0.472 1397 E N 0.522 120.685 120.200 -0.062 0.000 2.208 1397 E HA -0.048 4.302 4.350 0.000 0.000 0.193 1397 E C 2.008 178.547 176.600 -0.102 0.000 0.988 1397 E CA 0.548 56.902 56.400 -0.078 0.000 0.828 1397 E CB -0.081 29.571 29.700 -0.080 0.000 0.763 1397 E HN 0.357 nan 8.360 nan 0.000 0.478 1398 M N 0.055 119.565 119.600 -0.150 0.000 2.288 1398 M HA -0.098 4.383 4.480 0.000 0.000 0.266 1398 M C 0.657 176.783 176.300 -0.289 0.000 1.072 1398 M CA 1.462 56.633 55.300 -0.215 0.000 1.132 1398 M CB -0.270 32.180 32.600 -0.250 0.000 1.386 1398 M HN 0.181 nan 8.290 nan 0.000 0.432 1399 H N -0.248 118.620 119.070 -0.336 0.000 2.612 1399 H HA 0.033 4.590 4.556 0.000 0.000 0.285 1399 H C 1.532 176.728 175.328 -0.219 0.000 1.066 1399 H CA 0.582 56.423 56.048 -0.346 0.000 1.180 1399 H CB 0.176 29.608 29.762 -0.551 0.000 1.312 1399 H HN 0.485 nan 8.280 nan 0.000 0.606 1400 S N -2.050 113.615 115.700 -0.058 0.000 2.882 1400 S HA -0.034 4.436 4.470 0.000 0.000 0.258 1400 S C 1.443 176.014 174.600 -0.049 0.000 1.081 1400 S CA -0.229 57.941 58.200 -0.050 0.000 0.886 1400 S CB 0.361 63.530 63.200 -0.052 0.000 0.855 1400 S HN 0.104 nan 8.310 nan 0.000 0.467 1401 D N 2.661 123.024 120.400 -0.062 0.000 2.133 1401 D HA 0.083 4.724 4.640 0.000 0.000 0.195 1401 D C 1.529 177.799 176.300 -0.050 0.000 0.997 1401 D CA 2.304 56.270 54.000 -0.056 0.000 0.840 1401 D CB -0.420 40.340 40.800 -0.067 0.000 0.947 1401 D HN 0.743 nan 8.370 nan 0.000 0.452 1402 G N -1.547 107.220 108.800 -0.056 0.000 3.290 1402 G HA2 -0.152 3.808 3.960 0.000 0.000 0.220 1402 G HA3 -0.152 3.808 3.960 0.000 0.000 0.220 1402 G C 0.438 175.308 174.900 -0.049 0.000 0.940 1402 G CA 0.111 45.185 45.100 -0.043 0.000 0.884 1402 G HN 0.184 nan 8.290 nan 0.000 0.649 1403 M N 1.087 120.639 119.600 -0.080 0.000 2.787 1403 M HA -0.157 4.323 4.480 0.000 0.000 0.176 1403 M C 0.527 176.775 176.300 -0.086 0.000 1.139 1403 M CA 0.977 56.208 55.300 -0.115 0.000 0.681 1403 M CB -0.348 32.235 32.600 -0.027 0.000 1.180 1403 M HN 0.376 nan 8.290 nan 0.000 0.788 1404 K N 3.555 123.899 120.400 -0.093 0.000 2.315 1404 K HA 0.261 4.581 4.320 0.000 0.000 0.291 1404 K C -0.430 176.123 176.600 -0.077 0.000 1.074 1404 K CA -0.036 56.207 56.287 -0.075 0.000 0.936 1404 K CB -0.066 32.389 32.500 -0.075 0.000 1.049 1404 K HN 0.648 nan 8.250 nan 0.000 0.471 1405 I N 2.965 123.501 120.570 -0.057 0.000 2.664 1405 I HA -0.087 4.084 4.170 0.000 0.000 0.284 1405 I C 0.643 176.725 176.117 -0.058 0.000 1.154 1405 I CA -0.133 61.138 61.300 -0.048 0.000 1.402 1405 I CB 0.347 38.331 38.000 -0.027 0.000 1.395 1405 I HN 0.665 nan 8.210 nan 0.000 0.545 1406 A N 7.992 130.772 122.820 -0.066 0.000 2.507 1406 A HA 0.102 4.422 4.320 0.000 0.000 0.281 1406 A C 0.565 178.114 177.584 -0.058 0.000 1.154 1406 A CA 0.179 52.168 52.037 -0.080 0.000 0.828 1406 A CB -0.398 18.553 19.000 -0.082 0.000 1.069 1406 A HN 0.790 nan 8.150 nan 0.000 0.522 1407 R N 3.297 123.757 120.500 -0.067 0.000 2.835 1407 R HA 0.237 4.577 4.340 0.000 0.000 0.290 1407 R C -2.244 174.010 176.300 -0.076 0.000 1.410 1407 R CA -1.075 54.992 56.100 -0.055 0.000 1.590 1407 R CB 0.695 30.966 30.300 -0.048 0.000 1.288 1407 R HN 0.691 nan 8.270 nan 0.000 0.637 1408 P HA 0.131 nan 4.420 nan 0.000 0.271 1408 P C -0.335 176.911 177.300 -0.090 0.000 1.244 1408 P CA -0.271 62.790 63.100 -0.065 0.000 0.793 1408 P CB 0.970 32.690 31.700 0.033 0.000 0.984 1409 R N 0.112 120.526 120.500 -0.144 0.000 2.719 1409 R HA 0.463 4.803 4.340 0.000 0.000 0.233 1409 R C 0.264 176.565 176.300 0.001 0.000 1.257 1409 R CA -0.560 55.449 56.100 -0.152 0.000 1.109 1409 R CB 0.249 30.294 30.300 -0.426 0.000 1.447 1409 R HN 0.710 nan 8.270 nan 0.000 0.537 1410 Q N -0.229 119.620 119.800 0.082 0.000 2.353 1410 Q HA 0.397 4.737 4.340 0.000 0.000 0.275 1410 Q C -1.391 174.746 176.000 0.228 0.000 1.029 1410 Q CA -1.008 54.889 55.803 0.157 0.000 0.848 1410 Q CB 1.435 30.261 28.738 0.146 0.000 1.390 1410 Q HN 0.291 nan 8.270 nan 0.000 0.401 1411 L N 3.063 124.446 121.223 0.266 0.000 2.342 1411 L HA 0.342 4.682 4.340 0.000 0.000 0.285 1411 L C -1.544 175.432 176.870 0.177 0.000 1.095 1411 L CA -0.084 54.879 54.840 0.205 0.000 0.843 1411 L CB -0.018 42.100 42.059 0.097 0.000 1.201 1411 L HN 0.729 nan 8.230 nan 0.000 0.445 1412 Y N 4.074 124.415 120.300 0.068 0.000 2.404 1412 Y HA 0.360 4.910 4.550 0.000 0.000 0.344 1412 Y C 0.870 176.781 175.900 0.018 0.000 0.995 1412 Y CA 0.274 58.402 58.100 0.048 0.000 1.201 1412 Y CB 0.856 39.349 38.460 0.055 0.000 1.151 1412 Y HN 0.790 nan 8.280 nan 0.000 0.517 1413 T N 1.723 115.944 114.554 -0.556 0.000 3.296 1413 T HA 0.415 4.765 4.350 0.000 0.000 0.285 1413 T C 0.757 175.076 174.700 -0.636 0.000 1.014 1413 T CA -0.025 61.792 62.100 -0.472 0.000 0.920 1413 T CB -0.196 68.521 68.868 -0.252 0.000 1.143 1413 T HN 0.716 nan 8.240 nan 0.000 0.522 1414 G N 0.526 108.584 108.800 -1.238 0.000 2.546 1414 G HA2 0.485 4.445 3.960 0.000 0.000 0.239 1414 G HA3 0.485 4.445 3.960 0.000 0.000 0.239 1414 G C -0.951 173.768 174.900 -0.301 0.000 1.476 1414 G CA -0.918 43.778 45.100 -0.673 0.000 1.064 1414 G HN 0.389 nan 8.290 nan 0.000 0.561 1415 Y N 0.662 120.981 120.300 0.031 0.000 2.319 1415 Y HA 0.338 4.888 4.550 0.000 0.000 0.328 1415 Y C 0.885 176.914 175.900 0.215 0.000 1.133 1415 Y CA -0.093 58.071 58.100 0.107 0.000 1.265 1415 Y CB 0.969 39.489 38.460 0.099 0.000 1.218 1415 Y HN 0.416 nan 8.280 nan 0.000 0.508 1416 E N 2.108 122.507 120.200 0.332 0.000 2.369 1416 E HA 0.082 4.432 4.350 0.000 0.000 0.255 1416 E C -0.277 176.448 176.600 0.208 0.000 1.172 1416 E CA -0.786 55.762 56.400 0.246 0.000 0.932 1416 E CB 0.344 30.141 29.700 0.163 0.000 1.040 1416 E HN 0.233 nan 8.360 nan 0.000 0.454 1417 K N 1.995 122.474 120.400 0.133 0.000 2.569 1417 K HA -0.111 4.209 4.320 0.000 0.000 0.280 1417 K C -0.680 175.971 176.600 0.086 0.000 0.984 1417 K CA 0.616 56.958 56.287 0.091 0.000 1.064 1417 K CB 0.126 32.661 32.500 0.058 0.000 0.866 1417 K HN 0.658 nan 8.250 nan 0.000 0.492 1418 R N 2.307 122.846 120.500 0.064 0.000 2.548 1418 R HA 0.326 4.666 4.340 0.000 0.000 0.280 1418 R C -1.044 175.283 176.300 0.045 0.000 1.061 1418 R CA -0.971 55.152 56.100 0.038 0.000 0.915 1418 R CB 0.966 31.259 30.300 -0.012 0.000 1.210 1418 R HN 0.362 nan 8.270 nan 0.000 0.442 1419 D N 2.089 122.512 120.400 0.038 0.000 2.423 1419 D HA 0.023 4.663 4.640 0.000 0.000 0.238 1419 D C -0.876 175.473 176.300 0.082 0.000 1.142 1419 D CA 0.567 54.600 54.000 0.055 0.000 0.884 1419 D CB 0.739 41.552 40.800 0.022 0.000 1.199 1419 D HN 0.354 nan 8.370 nan 0.000 0.438 1420 F N 2.043 121.976 119.950 -0.028 0.000 2.415 1420 F HA 0.302 4.829 4.527 0.000 0.000 0.348 1420 F C -0.122 175.663 175.800 -0.025 0.000 1.119 1420 F CA -0.839 57.142 58.000 -0.032 0.000 1.069 1420 F CB 0.998 39.982 39.000 -0.027 0.000 1.124 1420 F HN -0.043 nan 8.300 nan 0.000 0.472 1421 K N 4.890 124.722 120.400 -0.947 0.000 2.656 1421 K HA 0.254 4.574 4.320 0.000 0.000 0.241 1421 K C -1.244 174.841 176.600 -0.858 0.000 0.967 1421 K CA -0.389 55.474 56.287 -0.707 0.000 0.946 1421 K CB 1.307 33.614 32.500 -0.323 0.000 1.164 1421 K HN 0.487 nan 8.250 nan 0.000 0.459 1422 S N 3.033 118.220 115.700 -0.855 0.000 2.505 1422 S HA 0.210 4.680 4.470 0.000 0.000 0.276 1422 S C -0.552 173.934 174.600 -0.190 0.000 1.274 1422 S CA -0.287 57.666 58.200 -0.412 0.000 1.053 1422 S CB 0.236 63.416 63.200 -0.033 0.000 0.919 1422 S HN 0.513 nan 8.310 nan 0.000 0.490 1423 D N 4.707 125.030 120.400 -0.127 0.000 3.123 1423 D HA 0.304 4.944 4.640 0.000 0.000 0.305 1423 D C 0.222 176.501 176.300 -0.034 0.000 1.373 1423 D CA -0.056 53.898 54.000 -0.077 0.000 0.889 1423 D CB -0.256 40.498 40.800 -0.077 0.000 1.070 1423 D HN 0.657 nan 8.370 nan 0.000 0.494 1424 I N -3.579 116.982 120.570 -0.015 0.000 3.239 1424 I HA 0.713 4.883 4.170 0.000 0.000 0.314 1424 I C -0.795 175.327 176.117 0.008 0.000 1.126 1424 I CA -1.047 60.256 61.300 0.005 0.000 0.973 1424 I CB 2.822 40.837 38.000 0.025 0.000 1.252 1424 I HN -0.392 nan 8.210 nan 0.000 0.463 1425 K N 2.903 123.309 120.400 0.011 0.000 2.987 1425 K HA 0.520 4.841 4.320 0.000 0.000 0.224 1425 K C -1.441 175.166 176.600 0.011 0.000 1.209 1425 K CA -0.207 56.087 56.287 0.011 0.000 0.971 1425 K CB 0.771 33.274 32.500 0.004 0.000 1.252 1425 K HN 0.993 nan 8.250 nan 0.000 0.580 1426 R N 0.000 120.510 120.500 0.016 0.000 2.786 1426 R HA 0.000 4.340 4.340 0.000 0.000 0.208 1426 R CA 0.000 56.108 56.100 0.014 0.000 0.921 1426 R CB 0.000 30.308 30.300 0.013 0.000 0.687 1426 R HN 0.000 nan 8.270 nan 0.000 0.535