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 3l96_1_B DATA FIRST_RESID 1001 DATA SEQUENCE ADTKAKLTLN GDTAVELDVL KGTLGQDVID IRTLGSKGVF TFDPGFTSTT 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 ALKMLEEIGK KENIPEFVRR AKDKNDSFRL DATA SEQUENCE MGFGHRVYKN YDPRATVMRE TCHEVLKELG TKDDLLEVAM ELENIALNDP DATA SEQUENCE YFIEKKLYPN VDFYSGIILK AMGIPSSMFT VIFAMARTVG 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 0.000 177.581 177.584 -0.005 0.000 1.274 1001 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 1001 A CB 0.000 18.995 19.000 -0.008 0.000 0.831 1002 D N 1.070 121.468 120.400 -0.003 0.000 2.373 1002 D HA 0.013 4.653 4.640 -0.000 0.000 0.265 1002 D C 1.291 177.591 176.300 -0.001 0.000 1.316 1002 D CA 1.497 55.496 54.000 -0.002 0.000 1.005 1002 D CB 0.625 41.425 40.800 0.000 0.000 0.936 1002 D HN 0.390 nan 8.370 nan 0.000 0.299 1003 T N 0.571 115.126 114.554 0.001 0.000 3.434 1003 T HA 0.065 4.415 4.350 -0.000 0.000 0.249 1003 T C -0.420 174.281 174.700 0.001 0.000 1.050 1003 T CA -0.180 61.921 62.100 0.001 0.000 0.952 1003 T CB -0.608 68.262 68.868 0.003 0.000 1.046 1003 T HN 0.132 nan 8.240 nan 0.000 0.590 1004 K N 0.081 120.481 120.400 -0.000 0.000 2.761 1004 K HA 0.593 4.913 4.320 -0.000 0.000 0.257 1004 K C -0.011 176.587 176.600 -0.003 0.000 1.053 1004 K CA -0.602 55.685 56.287 -0.001 0.000 1.035 1004 K CB 0.736 33.236 32.500 -0.000 0.000 1.267 1004 K HN 0.006 nan 8.250 nan 0.000 0.505 1005 A N 3.337 126.156 122.820 -0.003 0.000 2.054 1005 A HA 0.232 4.552 4.320 -0.000 0.000 0.221 1005 A C 0.019 177.600 177.584 -0.005 0.000 1.587 1005 A CA 1.103 53.137 52.037 -0.004 0.000 0.664 1005 A CB -0.109 18.888 19.000 -0.004 0.000 1.248 1005 A HN 0.707 nan 8.150 nan 0.000 0.527 1006 K N -0.516 119.882 120.400 -0.004 0.000 2.502 1006 K HA 0.658 4.978 4.320 -0.000 0.000 0.257 1006 K C -0.960 175.638 176.600 -0.004 0.000 0.938 1006 K CA -0.553 55.731 56.287 -0.005 0.000 0.819 1006 K CB 1.251 33.748 32.500 -0.006 0.000 1.333 1006 K HN 0.663 nan 8.250 nan 0.000 0.434 1007 L N -1.355 119.865 121.223 -0.004 0.000 2.333 1007 L HA 0.827 5.167 4.340 -0.000 0.000 0.269 1007 L C -0.986 175.881 176.870 -0.004 0.000 1.010 1007 L CA -0.582 54.257 54.840 -0.003 0.000 0.818 1007 L CB 2.635 44.693 42.059 -0.001 0.000 1.306 1007 L HN 0.645 nan 8.230 nan 0.000 0.430 1008 T N 3.239 117.792 114.554 -0.003 0.000 2.847 1008 T HA 0.447 4.797 4.350 -0.000 0.000 0.291 1008 T C -0.781 173.918 174.700 -0.003 0.000 0.998 1008 T CA -0.246 61.852 62.100 -0.004 0.000 0.967 1008 T CB 1.324 70.190 68.868 -0.003 0.000 0.954 1008 T HN 0.576 nan 8.240 nan 0.000 0.441 1009 L N 5.097 126.317 121.223 -0.005 0.000 2.325 1009 L HA 0.407 4.747 4.340 -0.000 0.000 0.284 1009 L C -0.352 176.516 176.870 -0.003 0.000 1.089 1009 L CA -0.158 54.680 54.840 -0.003 0.000 0.836 1009 L CB -0.080 41.974 42.059 -0.008 0.000 1.184 1009 L HN 0.466 nan 8.230 nan 0.000 0.444 1010 N N 4.154 122.855 118.700 0.001 0.000 2.419 1010 N HA 0.496 5.236 4.740 -0.000 0.000 0.277 1010 N C 0.251 175.763 175.510 0.003 0.000 1.006 1010 N CA 0.290 53.340 53.050 0.001 0.000 0.923 1010 N CB 1.982 40.470 38.487 0.002 0.000 1.140 1010 N HN 0.831 nan 8.380 nan 0.000 0.488 1011 G N 0.653 109.453 108.800 0.001 0.000 2.482 1011 G HA2 0.033 3.993 3.960 -0.000 0.000 0.184 1011 G HA3 0.033 3.993 3.960 -0.000 0.000 0.184 1011 G C 0.266 175.167 174.900 0.002 0.000 1.331 1011 G CA 0.089 45.191 45.100 0.003 0.000 0.668 1011 G HN 0.437 nan 8.290 nan 0.000 0.631 1012 D N -0.171 120.228 120.400 -0.000 0.000 2.460 1012 D HA 0.214 4.854 4.640 -0.000 0.000 0.263 1012 D C -0.474 175.824 176.300 -0.002 0.000 1.209 1012 D CA 0.534 54.533 54.000 -0.000 0.000 0.818 1012 D CB 1.830 42.631 40.800 0.000 0.000 1.239 1012 D HN 0.198 nan 8.370 nan 0.000 0.530 1013 T N 0.784 115.335 114.554 -0.004 0.000 3.548 1013 T HA 0.441 4.791 4.350 -0.000 0.000 0.329 1013 T C -0.352 174.344 174.700 -0.007 0.000 0.960 1013 T CA -0.697 61.400 62.100 -0.005 0.000 1.041 1013 T CB 2.023 70.887 68.868 -0.007 0.000 1.065 1013 T HN 0.085 nan 8.240 nan 0.000 0.459 1014 A N 3.019 125.835 122.820 -0.006 0.000 2.572 1014 A HA 0.353 4.673 4.320 -0.000 0.000 0.256 1014 A C 0.375 177.953 177.584 -0.009 0.000 1.041 1014 A CA 0.159 52.193 52.037 -0.006 0.000 0.790 1014 A CB -0.318 18.679 19.000 -0.005 0.000 0.947 1014 A HN 0.742 nan 8.150 nan 0.000 0.518 1015 V N 4.963 124.870 119.914 -0.011 0.000 2.334 1015 V HA 0.204 4.324 4.120 -0.000 0.000 0.281 1015 V C 0.306 176.392 176.094 -0.013 0.000 1.016 1015 V CA -0.463 61.828 62.300 -0.015 0.000 0.832 1015 V CB 0.997 32.808 31.823 -0.021 0.000 0.999 1015 V HN 0.955 nan 8.190 nan 0.000 0.439 1016 E N 4.679 124.872 120.200 -0.013 0.000 2.289 1016 E HA 0.540 4.890 4.350 -0.000 0.000 0.278 1016 E C -1.015 175.577 176.600 -0.013 0.000 1.032 1016 E CA -0.316 56.077 56.400 -0.011 0.000 0.854 1016 E CB 1.446 31.140 29.700 -0.010 0.000 1.046 1016 E HN 0.521 nan 8.360 nan 0.000 0.409 1017 L N 3.094 124.310 121.223 -0.011 0.000 2.365 1017 L HA 0.320 4.660 4.340 -0.000 0.000 0.273 1017 L C -0.482 176.382 176.870 -0.011 0.000 1.000 1017 L CA -1.141 53.691 54.840 -0.012 0.000 0.819 1017 L CB 1.650 43.703 42.059 -0.011 0.000 1.284 1017 L HN 0.374 nan 8.230 nan 0.000 0.418 1018 D N 2.456 122.849 120.400 -0.012 0.000 2.390 1018 D HA 0.191 4.831 4.640 -0.000 0.000 0.249 1018 D C -0.151 176.143 176.300 -0.010 0.000 1.144 1018 D CA -0.054 53.940 54.000 -0.011 0.000 0.880 1018 D CB 1.919 42.712 40.800 -0.012 0.000 1.182 1018 D HN 0.002 nan 8.370 nan 0.000 0.451 1019 V N 3.466 123.375 119.914 -0.009 0.000 2.509 1019 V HA 0.203 4.323 4.120 -0.000 0.000 0.284 1019 V C 0.276 176.365 176.094 -0.009 0.000 1.047 1019 V CA -0.724 61.571 62.300 -0.008 0.000 0.952 1019 V CB 1.335 33.154 31.823 -0.006 0.000 0.988 1019 V HN 0.316 nan 8.190 nan 0.000 0.469 1020 L N 4.664 125.881 121.223 -0.009 0.000 2.330 1020 L HA 0.653 4.993 4.340 -0.000 0.000 0.271 1020 L C -0.090 176.774 176.870 -0.009 0.000 1.013 1020 L CA -0.598 54.236 54.840 -0.011 0.000 0.816 1020 L CB 1.752 43.804 42.059 -0.012 0.000 1.287 1020 L HN 0.621 nan 8.230 nan 0.000 0.435 1021 K N 0.317 120.710 120.400 -0.013 0.000 2.316 1021 K HA 0.677 4.997 4.320 -0.000 0.000 0.251 1021 K C -0.043 176.546 176.600 -0.018 0.000 0.934 1021 K CA -0.619 55.660 56.287 -0.014 0.000 0.802 1021 K CB 2.559 35.049 32.500 -0.017 0.000 1.171 1021 K HN 0.794 nan 8.250 nan 0.000 0.426 1022 G N -0.416 108.374 108.800 -0.016 0.000 2.531 1022 G HA2 0.175 4.135 3.960 -0.000 0.000 0.313 1022 G HA3 0.175 4.135 3.960 -0.000 0.000 0.313 1022 G C 0.889 175.757 174.900 -0.054 0.000 1.238 1022 G CA -0.446 44.640 45.100 -0.025 0.000 0.994 1022 G HN 0.621 nan 8.290 nan 0.000 0.493 1023 T N -2.263 112.242 114.554 -0.082 0.000 3.023 1023 T HA 0.230 4.580 4.350 -0.000 0.000 0.266 1023 T C 0.775 175.364 174.700 -0.184 0.000 1.093 1023 T CA 0.606 62.634 62.100 -0.120 0.000 1.129 1023 T CB -0.197 68.593 68.868 -0.130 0.000 0.899 1023 T HN 0.172 nan 8.240 nan 0.000 0.491 1024 L N -0.331 120.756 121.223 -0.227 0.000 2.465 1024 L HA 0.636 4.976 4.340 -0.000 0.000 0.257 1024 L C 0.540 177.366 176.870 -0.074 0.000 0.988 1024 L CA -0.448 54.179 54.840 -0.356 0.000 0.827 1024 L CB 2.021 43.440 42.059 -1.067 0.000 1.397 1024 L HN 0.491 nan 8.230 nan 0.000 0.410 1025 G N 1.200 110.054 108.800 0.089 0.000 2.627 1025 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.214 1025 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.214 1025 G C -1.088 173.869 174.900 0.094 0.000 1.331 1025 G CA -0.747 44.488 45.100 0.226 0.000 0.891 1025 G HN 0.433 nan 8.290 nan 0.000 0.539 1026 Q N 0.744 120.590 119.800 0.076 0.000 2.340 1026 Q HA 0.374 4.714 4.340 -0.000 0.000 0.249 1026 Q C 0.032 176.047 176.000 0.024 0.000 0.957 1026 Q CA -0.274 55.552 55.803 0.038 0.000 0.882 1026 Q CB 0.823 29.577 28.738 0.026 0.000 1.235 1026 Q HN 0.569 nan 8.270 nan 0.000 0.439 1027 D N 0.542 120.950 120.400 0.013 0.000 2.339 1027 D HA 0.307 4.947 4.640 -0.000 0.000 0.245 1027 D C -0.058 176.245 176.300 0.005 0.000 1.115 1027 D CA -0.164 53.840 54.000 0.005 0.000 0.917 1027 D CB 0.974 41.775 40.800 0.001 0.000 1.192 1027 D HN 0.275 nan 8.370 nan 0.000 0.428 1028 V N -1.772 118.142 119.914 0.001 0.000 3.074 1028 V HA 0.617 4.737 4.120 -0.000 0.000 0.314 1028 V C -0.223 175.869 176.094 -0.003 0.000 1.117 1028 V CA -1.020 61.279 62.300 -0.001 0.000 1.014 1028 V CB 1.715 33.535 31.823 -0.003 0.000 1.057 1028 V HN 0.377 nan 8.190 nan 0.000 0.438 1029 I N 1.842 122.410 120.570 -0.002 0.000 2.359 1029 I HA 0.397 4.567 4.170 -0.000 0.000 0.294 1029 I C -0.422 175.692 176.117 -0.006 0.000 0.987 1029 I CA -0.222 61.076 61.300 -0.003 0.000 1.225 1029 I CB 1.517 39.517 38.000 0.000 0.000 1.366 1029 I HN 0.722 nan 8.210 nan 0.000 0.466 1030 D N 6.655 127.050 120.400 -0.009 0.000 2.304 1030 D HA 0.315 4.955 4.640 -0.000 0.000 0.250 1030 D C 0.324 176.616 176.300 -0.013 0.000 1.107 1030 D CA 0.036 54.029 54.000 -0.012 0.000 0.885 1030 D CB 1.182 41.974 40.800 -0.014 0.000 1.192 1030 D HN 0.546 nan 8.370 nan 0.000 0.436 1031 I N 0.057 120.619 120.570 -0.013 0.000 4.276 1031 I HA 0.239 4.409 4.170 -0.000 0.000 0.343 1031 I C 1.305 177.411 176.117 -0.019 0.000 1.345 1031 I CA -0.609 60.681 61.300 -0.016 0.000 1.156 1031 I CB 0.362 38.358 38.000 -0.006 0.000 1.682 1031 I HN 0.080 nan 8.210 nan 0.000 0.615 1032 R N 1.804 122.293 120.500 -0.017 0.000 2.119 1032 R HA -0.149 4.191 4.340 -0.000 0.000 0.246 1032 R C 2.122 178.410 176.300 -0.020 0.000 1.146 1032 R CA 2.678 58.769 56.100 -0.014 0.000 0.962 1032 R CB -0.496 29.795 30.300 -0.015 0.000 0.863 1032 R HN 0.692 nan 8.270 nan 0.000 0.442 1033 T N -1.421 113.115 114.554 -0.030 0.000 3.100 1033 T HA 0.124 4.474 4.350 -0.000 0.000 0.253 1033 T C 1.865 176.520 174.700 -0.075 0.000 1.118 1033 T CA 0.084 62.160 62.100 -0.041 0.000 1.058 1033 T CB -0.067 68.780 68.868 -0.035 0.000 0.953 1033 T HN 0.077 nan 8.240 nan 0.000 0.515 1034 L N 1.297 122.466 121.223 -0.090 0.000 1.978 1034 L HA -0.094 4.246 4.340 -0.000 0.000 0.218 1034 L C 3.108 179.803 176.870 -0.290 0.000 1.075 1034 L CA 1.903 56.650 54.840 -0.156 0.000 0.767 1034 L CB -1.366 40.611 42.059 -0.136 0.000 0.890 1034 L HN 0.497 nan 8.230 nan 0.000 0.434 1035 G N -0.983 107.629 108.800 -0.314 0.000 2.503 1035 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.221 1035 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.221 1035 G C 1.502 176.236 174.900 -0.276 0.000 1.131 1035 G CA 1.046 45.842 45.100 -0.508 0.000 0.756 1035 G HN 0.415 nan 8.290 nan 0.000 0.572 1036 S N -0.120 115.504 115.700 -0.126 0.000 2.653 1036 S HA 0.077 4.547 4.470 -0.000 0.000 0.233 1036 S C 1.237 175.787 174.600 -0.083 0.000 0.970 1036 S CA 0.688 58.852 58.200 -0.061 0.000 0.947 1036 S CB -0.017 63.162 63.200 -0.035 0.000 0.771 1036 S HN 0.522 nan 8.310 nan 0.000 0.538 1037 K N -0.360 119.945 120.400 -0.158 0.000 2.644 1037 K HA 0.275 4.594 4.320 -0.000 0.000 0.198 1037 K C 0.900 177.392 176.600 -0.180 0.000 1.113 1037 K CA 0.136 56.344 56.287 -0.132 0.000 1.073 1037 K CB 0.990 33.420 32.500 -0.117 0.000 0.811 1037 K HN 0.181 nan 8.250 nan 0.000 0.508 1038 G N 1.436 110.082 108.800 -0.256 0.000 2.180 1038 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.263 1038 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.263 1038 G C -0.002 174.630 174.900 -0.447 0.000 0.989 1038 G CA 0.669 45.639 45.100 -0.217 0.000 0.692 1038 G HN 0.305 nan 8.290 nan 0.000 0.526 1039 V N 0.704 120.220 119.914 -0.663 0.000 2.347 1039 V HA 0.810 4.930 4.120 -0.000 0.000 0.280 1039 V C -0.535 175.167 176.094 -0.655 0.000 1.021 1039 V CA -1.194 60.840 62.300 -0.442 0.000 0.847 1039 V CB 0.337 32.033 31.823 -0.212 0.000 0.990 1039 V HN 0.301 nan 8.190 nan 0.000 0.444 1040 F N 3.638 123.617 119.950 0.047 0.000 2.563 1040 F HA 0.705 5.232 4.527 -0.000 0.000 0.316 1040 F C 0.633 176.486 175.800 0.089 0.000 1.076 1040 F CA -0.628 57.412 58.000 0.066 0.000 0.921 1040 F CB 2.204 41.250 39.000 0.077 0.000 1.209 1040 F HN 0.575 nan 8.300 nan 0.000 0.462 1041 T N -0.977 113.742 114.554 0.276 0.000 2.934 1041 T HA 0.622 4.972 4.350 -0.000 0.000 0.283 1041 T C -1.074 173.807 174.700 0.301 0.000 1.005 1041 T CA -0.532 61.704 62.100 0.226 0.000 1.041 1041 T CB 1.437 70.394 68.868 0.148 0.000 1.042 1041 T HN 0.499 nan 8.240 nan 0.000 0.505 1042 F N 1.494 121.501 119.950 0.095 0.000 2.477 1042 F HA 0.531 5.058 4.527 -0.000 0.000 0.335 1042 F C -0.687 175.149 175.800 0.060 0.000 1.130 1042 F CA -0.647 57.396 58.000 0.072 0.000 0.948 1042 F CB 1.583 40.612 39.000 0.047 0.000 1.154 1042 F HN 0.726 nan 8.300 nan 0.000 0.439 1043 D N 7.324 127.436 120.400 -0.481 0.000 3.285 1043 D HA 0.278 4.918 4.640 -0.000 0.000 0.273 1043 D C -2.855 173.164 176.300 -0.468 0.000 1.295 1043 D CA -1.347 52.442 54.000 -0.352 0.000 0.762 1043 D CB 0.755 41.528 40.800 -0.045 0.000 1.379 1043 D HN 0.120 nan 8.370 nan 0.000 0.612 1044 P HA 0.371 nan 4.420 nan 0.000 0.265 1044 P C 1.041 178.055 177.300 -0.478 0.000 1.193 1044 P CA 0.843 63.573 63.100 -0.616 0.000 0.765 1044 P CB 1.091 32.483 31.700 -0.514 0.000 0.823 1045 G N 2.138 110.569 108.800 -0.615 0.000 2.258 1045 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.233 1045 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.233 1045 G C 0.557 175.314 174.900 -0.239 0.000 1.006 1045 G CA -0.101 44.770 45.100 -0.381 0.000 0.620 1045 G HN 0.533 nan 8.290 nan 0.000 0.511 1046 F N 0.234 120.129 119.950 -0.093 0.000 3.074 1046 F HA -0.286 4.241 4.527 -0.000 0.000 0.287 1046 F C 2.058 177.824 175.800 -0.056 0.000 0.932 1046 F CA 1.319 59.277 58.000 -0.070 0.000 0.995 1046 F CB -2.124 36.844 39.000 -0.054 0.000 0.966 1046 F HN 0.642 nan 8.300 nan 0.000 0.721 1047 T N -5.015 109.585 114.554 0.077 0.000 2.962 1047 T HA -0.076 4.274 4.350 -0.000 0.000 0.270 1047 T C 1.328 176.050 174.700 0.038 0.000 1.088 1047 T CA 1.532 63.653 62.100 0.036 0.000 1.127 1047 T CB 0.073 68.940 68.868 -0.001 0.000 0.883 1047 T HN 0.357 nan 8.240 nan 0.000 0.493 1048 S N 0.010 115.741 115.700 0.052 0.000 2.733 1048 S HA 0.230 4.699 4.470 -0.000 0.000 0.247 1048 S C 0.163 174.785 174.600 0.037 0.000 1.043 1048 S CA -0.530 57.692 58.200 0.037 0.000 1.066 1048 S CB 0.841 64.059 63.200 0.031 0.000 1.045 1048 S HN 0.509 nan 8.310 nan 0.000 0.586 1049 T N 3.132 117.720 114.554 0.057 0.000 2.767 1049 T HA 0.346 4.696 4.350 -0.000 0.000 0.288 1049 T C -0.208 174.462 174.700 -0.049 0.000 0.963 1049 T CA -0.059 62.047 62.100 0.009 0.000 1.019 1049 T CB 1.301 70.178 68.868 0.015 0.000 0.923 1049 T HN -0.058 nan 8.240 nan 0.000 0.468 1050 T N 2.704 117.224 114.554 -0.057 0.000 2.811 1050 T HA 0.179 4.529 4.350 -0.000 0.000 0.309 1050 T C 1.634 176.272 174.700 -0.103 0.000 1.005 1050 T CA -0.581 61.480 62.100 -0.066 0.000 0.955 1050 T CB 0.524 69.371 68.868 -0.036 0.000 0.970 1050 T HN 0.731 nan 8.240 nan 0.000 0.496 1051 S N 1.706 117.313 115.700 -0.155 0.000 2.423 1051 S HA -0.028 4.442 4.470 -0.000 0.000 0.231 1051 S C 1.111 175.643 174.600 -0.112 0.000 1.014 1051 S CA 0.175 58.263 58.200 -0.188 0.000 0.965 1051 S CB -0.628 62.413 63.200 -0.265 0.000 0.785 1051 S HN 0.905 nan 8.310 nan 0.000 0.495 1052 C N -0.794 118.462 119.300 -0.073 0.000 3.320 1052 C HA 0.789 5.249 4.460 -0.000 0.000 0.335 1052 C C -1.169 173.809 174.990 -0.021 0.000 1.430 1052 C CA -1.129 57.863 59.018 -0.043 0.000 1.271 1052 C CB 0.973 28.695 27.740 -0.030 0.000 1.609 1052 C HN 0.536 nan 8.230 nan 0.000 0.457 1053 E N 1.113 121.305 120.200 -0.014 0.000 2.171 1053 E HA 0.667 5.017 4.350 -0.000 0.000 0.271 1053 E C -0.870 175.734 176.600 0.006 0.000 0.916 1053 E CA 0.081 56.478 56.400 -0.004 0.000 0.774 1053 E CB 1.662 31.354 29.700 -0.014 0.000 1.128 1053 E HN 0.909 nan 8.360 nan 0.000 0.403 1054 S N 3.042 118.756 115.700 0.022 0.000 2.564 1054 S HA 0.422 4.892 4.470 -0.000 0.000 0.274 1054 S C -0.544 174.069 174.600 0.022 0.000 1.124 1054 S CA -0.663 57.553 58.200 0.027 0.000 0.869 1054 S CB 1.266 64.513 63.200 0.078 0.000 1.105 1054 S HN 0.593 nan 8.310 nan 0.000 0.472 1055 K N 2.474 122.872 120.400 -0.005 0.000 2.447 1055 K HA 0.374 4.694 4.320 -0.000 0.000 0.205 1055 K C 0.896 177.489 176.600 -0.012 0.000 1.059 1055 K CA 0.036 56.315 56.287 -0.012 0.000 1.065 1055 K CB 0.290 32.767 32.500 -0.038 0.000 0.885 1055 K HN 0.500 nan 8.250 nan 0.000 0.545 1056 I N 0.600 121.161 120.570 -0.015 0.000 2.185 1056 I HA -0.080 4.090 4.170 -0.000 0.000 0.235 1056 I C 0.588 176.770 176.117 0.107 0.000 1.069 1056 I CA 1.031 62.319 61.300 -0.021 0.000 1.354 1056 I CB 0.159 38.038 38.000 -0.201 0.000 1.093 1056 I HN -0.081 nan 8.210 nan 0.000 0.411 1057 T N 0.904 115.562 114.554 0.173 0.000 2.861 1057 T HA 0.435 4.785 4.350 -0.000 0.000 0.287 1057 T C -1.216 173.596 174.700 0.188 0.000 1.003 1057 T CA -0.275 61.966 62.100 0.235 0.000 0.977 1057 T CB 2.136 71.196 68.868 0.321 0.000 0.996 1057 T HN 0.011 nan 8.240 nan 0.000 0.448 1058 F N 3.523 123.478 119.950 0.009 0.000 2.507 1058 F HA 0.778 5.305 4.527 -0.000 0.000 0.325 1058 F C -1.348 174.430 175.800 -0.036 0.000 1.116 1058 F CA -0.981 57.006 58.000 -0.022 0.000 0.930 1058 F CB 0.785 39.766 39.000 -0.032 0.000 1.146 1058 F HN 0.440 nan 8.300 nan 0.000 0.447 1059 I N 4.906 124.848 120.570 -1.047 0.000 2.608 1059 I HA 0.282 4.452 4.170 -0.000 0.000 0.295 1059 I C -1.498 173.991 176.117 -1.047 0.000 1.049 1059 I CA -0.748 60.084 61.300 -0.780 0.000 1.063 1059 I CB 2.120 39.801 38.000 -0.532 0.000 1.248 1059 I HN 0.466 nan 8.210 nan 0.000 0.424 1060 D N 4.169 124.243 120.400 -0.545 0.000 2.408 1060 D HA 0.278 4.918 4.640 -0.000 0.000 0.261 1060 D C 0.960 177.166 176.300 -0.156 0.000 1.190 1060 D CA -0.327 53.496 54.000 -0.295 0.000 0.910 1060 D CB 1.662 42.453 40.800 -0.015 0.000 1.097 1060 D HN 0.706 nan 8.370 nan 0.000 0.522 1061 G N 2.740 111.403 108.800 -0.228 0.000 2.529 1061 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.219 1061 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.219 1061 G C 1.102 175.961 174.900 -0.067 0.000 1.177 1061 G CA 0.746 45.725 45.100 -0.200 0.000 0.773 1061 G HN 0.468 nan 8.290 nan 0.000 0.573 1062 D N 0.350 120.715 120.400 -0.058 0.000 2.219 1062 D HA -0.034 4.606 4.640 -0.000 0.000 0.205 1062 D C 2.147 178.435 176.300 -0.021 0.000 0.970 1062 D CA 0.665 54.648 54.000 -0.027 0.000 0.851 1062 D CB -0.004 40.790 40.800 -0.011 0.000 0.943 1062 D HN 0.278 nan 8.370 nan 0.000 0.488 1063 E N -0.200 119.993 120.200 -0.012 0.000 2.479 1063 E HA 0.115 4.465 4.350 -0.000 0.000 0.193 1063 E C 1.052 177.634 176.600 -0.031 0.000 1.049 1063 E CA 0.105 56.513 56.400 0.014 0.000 0.870 1063 E CB 0.479 30.213 29.700 0.056 0.000 0.944 1063 E HN 0.237 nan 8.360 nan 0.000 0.492 1064 G N 2.167 110.896 108.800 -0.118 0.000 2.273 1064 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.280 1064 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.280 1064 G C 0.242 175.079 174.900 -0.105 0.000 1.047 1064 G CA 0.159 45.063 45.100 -0.327 0.000 0.869 1064 G HN 0.151 nan 8.290 nan 0.000 0.502 1065 I N -0.149 120.445 120.570 0.039 0.000 2.353 1065 I HA 0.632 4.802 4.170 -0.000 0.000 0.293 1065 I C 0.077 176.240 176.117 0.077 0.000 0.992 1065 I CA -1.028 60.317 61.300 0.075 0.000 1.268 1065 I CB 1.462 39.553 38.000 0.153 0.000 1.387 1065 I HN 0.141 nan 8.210 nan 0.000 0.478 1066 L N 8.211 129.467 121.223 0.056 0.000 2.482 1066 L HA 0.570 4.910 4.340 -0.000 0.000 0.269 1066 L C -1.494 175.339 176.870 -0.061 0.000 0.967 1066 L CA -0.120 54.724 54.840 0.008 0.000 0.851 1066 L CB 1.470 43.550 42.059 0.037 0.000 1.242 1066 L HN 0.415 nan 8.230 nan 0.000 0.404 1067 L N 4.389 125.580 121.223 -0.053 0.000 2.354 1067 L HA 0.627 4.967 4.340 -0.000 0.000 0.269 1067 L C -0.952 175.830 176.870 -0.147 0.000 1.005 1067 L CA -0.888 53.920 54.840 -0.054 0.000 0.819 1067 L CB 2.071 44.189 42.059 0.098 0.000 1.311 1067 L HN 0.500 nan 8.230 nan 0.000 0.423 1068 H N 4.095 123.247 119.070 0.137 0.000 2.708 1068 H HA 0.376 4.932 4.556 0.000 0.000 0.320 1068 H C -0.348 175.016 175.328 0.060 0.000 0.991 1068 H CA -0.655 55.461 56.048 0.114 0.000 1.243 1068 H CB 1.490 31.337 29.762 0.141 0.000 1.446 1068 H HN 0.459 nan 8.280 nan 0.000 0.502 1069 R N 1.865 122.417 120.500 0.086 0.000 3.525 1069 R HA -0.206 4.133 4.340 -0.000 0.000 0.276 1069 R C 1.126 177.217 176.300 -0.347 0.000 1.116 1069 R CA 0.900 56.944 56.100 -0.093 0.000 0.745 1069 R CB -2.248 28.020 30.300 -0.053 0.000 1.185 1069 R HN 1.179 nan 8.270 nan 0.000 0.454 1070 G N -1.459 107.209 108.800 -0.220 0.000 2.241 1070 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.244 1070 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.244 1070 G C 0.247 175.015 174.900 -0.221 0.000 0.998 1070 G CA 0.257 45.187 45.100 -0.284 0.000 0.621 1070 G HN 0.326 nan 8.290 nan 0.000 0.519 1071 F N 2.342 122.314 119.950 0.036 0.000 2.427 1071 F HA 0.490 5.016 4.527 -0.000 0.000 0.352 1071 F C -1.720 174.088 175.800 0.014 0.000 1.100 1071 F CA -2.251 55.766 58.000 0.029 0.000 1.191 1071 F CB 1.177 40.205 39.000 0.046 0.000 1.128 1071 F HN -0.138 nan 8.300 nan 0.000 0.533 1072 P HA 0.005 nan 4.420 nan 0.000 0.271 1072 P C 0.712 178.056 177.300 0.074 0.000 1.216 1072 P CA -0.060 63.096 63.100 0.093 0.000 0.771 1072 P CB 0.806 32.553 31.700 0.077 0.000 0.864 1073 I N 3.143 123.719 120.570 0.011 0.000 2.194 1073 I HA -0.279 3.891 4.170 -0.000 0.000 0.246 1073 I C 1.355 177.494 176.117 0.037 0.000 1.093 1073 I CA 1.930 63.246 61.300 0.026 0.000 1.355 1073 I CB -0.559 37.429 38.000 -0.021 0.000 1.046 1073 I HN 0.309 nan 8.210 nan 0.000 0.413 1074 D N 0.062 120.472 120.400 0.017 0.000 2.123 1074 D HA -0.229 4.411 4.640 -0.000 0.000 0.196 1074 D C 2.183 178.488 176.300 0.009 0.000 0.992 1074 D CA 1.369 55.373 54.000 0.005 0.000 0.833 1074 D CB -0.269 40.530 40.800 -0.002 0.000 0.954 1074 D HN 0.557 nan 8.370 nan 0.000 0.455 1075 Q N -0.057 119.755 119.800 0.019 0.000 2.046 1075 Q HA -0.066 4.274 4.340 -0.000 0.000 0.200 1075 Q C 2.625 178.617 176.000 -0.013 0.000 0.975 1075 Q CA 0.708 56.513 55.803 0.003 0.000 0.836 1075 Q CB -0.111 28.638 28.738 0.017 0.000 0.896 1075 Q HN 0.312 nan 8.270 nan 0.000 0.428 1076 L N 0.151 121.382 121.223 0.013 0.000 2.046 1076 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 1076 L C 2.477 179.358 176.870 0.019 0.000 1.077 1076 L CA 1.046 55.891 54.840 0.009 0.000 0.747 1076 L CB -0.596 41.519 42.059 0.093 0.000 0.896 1076 L HN 0.213 nan 8.230 nan 0.000 0.432 1077 A N -0.974 121.868 122.820 0.036 0.000 2.067 1077 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 1077 A C 2.270 179.862 177.584 0.014 0.000 1.158 1077 A CA 2.075 54.132 52.037 0.032 0.000 0.661 1077 A CB -0.550 18.466 19.000 0.027 0.000 0.801 1077 A HN 0.415 nan 8.150 nan 0.000 0.452 1078 T N -0.586 113.968 114.554 -0.000 0.000 2.953 1078 T HA 0.019 4.369 4.350 -0.000 0.000 0.247 1078 T C 0.690 175.378 174.700 -0.019 0.000 1.029 1078 T CA 1.026 63.121 62.100 -0.009 0.000 1.144 1078 T CB -0.056 68.804 68.868 -0.014 0.000 0.870 1078 T HN 0.425 nan 8.240 nan 0.000 0.446 1079 D N 1.014 121.392 120.400 -0.036 0.000 2.501 1079 D HA 0.356 4.996 4.640 -0.000 0.000 0.226 1079 D C 0.382 176.635 176.300 -0.077 0.000 1.198 1079 D CA 0.105 54.072 54.000 -0.056 0.000 0.830 1079 D CB 0.733 41.491 40.800 -0.070 0.000 1.014 1079 D HN 0.204 nan 8.370 nan 0.000 0.496 1080 S N 0.512 116.178 115.700 -0.058 0.000 2.971 1080 S HA 0.597 5.067 4.470 -0.000 0.000 0.320 1080 S C -1.335 173.256 174.600 -0.015 0.000 1.111 1080 S CA -0.567 57.592 58.200 -0.067 0.000 0.870 1080 S CB 1.387 64.539 63.200 -0.080 0.000 1.331 1080 S HN 0.247 nan 8.310 nan 0.000 0.635 1081 N N -0.497 118.209 118.700 0.011 0.000 2.732 1081 N HA 0.236 4.976 4.740 -0.000 0.000 0.259 1081 N C -0.177 175.403 175.510 0.117 0.000 1.402 1081 N CA -0.646 52.452 53.050 0.080 0.000 0.829 1081 N CB -0.035 38.510 38.487 0.097 0.000 1.495 1081 N HN 0.544 nan 8.380 nan 0.000 0.511 1082 Y N 0.734 121.028 120.300 -0.009 0.000 2.114 1082 Y HA -0.031 4.519 4.550 -0.000 0.000 0.282 1082 Y C 1.875 177.755 175.900 -0.034 0.000 1.165 1082 Y CA 1.781 59.825 58.100 -0.092 0.000 1.148 1082 Y CB -0.310 37.985 38.460 -0.275 0.000 0.972 1082 Y HN 0.560 nan 8.280 nan 0.000 0.504 1083 L N -0.058 121.174 121.223 0.015 0.000 2.012 1083 L HA -0.262 4.078 4.340 -0.000 0.000 0.210 1083 L C 2.571 179.589 176.870 0.246 0.000 1.073 1083 L CA 2.111 57.039 54.840 0.146 0.000 0.748 1083 L CB -0.679 41.589 42.059 0.349 0.000 0.891 1083 L HN 0.325 nan 8.230 nan 0.000 0.431 1084 E N -0.099 120.268 120.200 0.278 0.000 2.085 1084 E HA -0.213 4.137 4.350 -0.000 0.000 0.194 1084 E C 2.160 178.781 176.600 0.035 0.000 0.994 1084 E CA 1.540 58.038 56.400 0.163 0.000 0.801 1084 E CB 0.104 29.782 29.700 -0.036 0.000 0.743 1084 E HN 0.257 nan 8.360 nan 0.000 0.453 1085 V N 0.357 120.250 119.914 -0.034 0.000 2.427 1085 V HA -0.297 3.823 4.120 -0.000 0.000 0.248 1085 V C 2.489 178.490 176.094 -0.156 0.000 1.051 1085 V CA 1.544 63.800 62.300 -0.073 0.000 1.048 1085 V CB -0.362 31.422 31.823 -0.065 0.000 0.666 1085 V HN 0.563 nan 8.190 nan 0.000 0.456 1086 C N -1.010 118.130 119.300 -0.267 0.000 2.429 1086 C HA -0.190 4.270 4.460 -0.000 0.000 0.277 1086 C C 2.602 177.435 174.990 -0.262 0.000 1.262 1086 C CA 1.185 60.040 59.018 -0.272 0.000 1.733 1086 C CB -1.035 26.573 27.740 -0.219 0.000 2.010 1086 C HN 0.698 nan 8.230 nan 0.000 0.483 1087 Y N 1.528 121.532 120.300 -0.493 0.000 2.165 1087 Y HA -0.169 4.381 4.550 -0.000 0.000 0.286 1087 Y C 2.159 177.856 175.900 -0.339 0.000 1.155 1087 Y CA 1.541 59.200 58.100 -0.734 0.000 1.164 1087 Y CB -0.415 37.622 38.460 -0.706 0.000 0.978 1087 Y HN 0.303 nan 8.280 nan 0.000 0.513 1088 I N -0.543 120.049 120.570 0.037 0.000 2.142 1088 I HA -0.356 3.814 4.170 -0.000 0.000 0.240 1088 I C 2.349 178.446 176.117 -0.033 0.000 1.078 1088 I CA 1.504 62.859 61.300 0.091 0.000 1.343 1088 I CB -0.565 37.542 38.000 0.179 0.000 1.046 1088 I HN 0.216 nan 8.210 nan 0.000 0.405 1089 L N 0.189 121.360 121.223 -0.086 0.000 2.042 1089 L HA -0.243 4.097 4.340 -0.000 0.000 0.210 1089 L C 2.509 179.285 176.870 -0.156 0.000 1.076 1089 L CA 1.465 56.235 54.840 -0.115 0.000 0.749 1089 L CB -0.516 41.450 42.059 -0.155 0.000 0.893 1089 L HN 0.284 nan 8.230 nan 0.000 0.432 1090 L N -0.750 120.338 121.223 -0.225 0.000 2.109 1090 L HA -0.111 4.229 4.340 -0.000 0.000 0.207 1090 L C 1.905 178.604 176.870 -0.285 0.000 1.086 1090 L CA 0.911 55.599 54.840 -0.252 0.000 0.760 1090 L CB -0.379 41.493 42.059 -0.312 0.000 0.910 1090 L HN 0.361 nan 8.230 nan 0.000 0.437 1091 N N -0.624 117.845 118.700 -0.385 0.000 2.282 1091 N HA 0.061 4.801 4.740 -0.000 0.000 0.185 1091 N C 1.437 176.860 175.510 -0.144 0.000 1.099 1091 N CA 1.001 53.846 53.050 -0.342 0.000 0.878 1091 N CB 1.219 39.289 38.487 -0.695 0.000 0.993 1091 N HN 0.363 nan 8.380 nan 0.000 0.481 1092 G N 0.769 109.516 108.800 -0.089 0.000 2.205 1092 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.261 1092 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.261 1092 G C -0.055 174.861 174.900 0.027 0.000 0.980 1092 G CA 0.329 45.408 45.100 -0.035 0.000 0.632 1092 G HN 0.330 nan 8.290 nan 0.000 0.533 1093 E N -0.233 120.035 120.200 0.113 0.000 2.433 1093 E HA 0.390 4.740 4.350 -0.000 0.000 0.278 1093 E C -0.137 176.651 176.600 0.313 0.000 0.976 1093 E CA -0.732 55.790 56.400 0.204 0.000 0.793 1093 E CB 1.305 31.097 29.700 0.155 0.000 1.311 1093 E HN 0.548 nan 8.360 nan 0.000 0.460 1094 K N 0.886 121.461 120.400 0.291 0.000 2.237 1094 K HA 0.401 4.721 4.320 -0.000 0.000 0.270 1094 K C -2.218 174.375 176.600 -0.011 0.000 1.015 1094 K CA -1.204 55.154 56.287 0.119 0.000 0.949 1094 K CB 0.231 32.721 32.500 -0.018 0.000 0.976 1094 K HN 0.100 nan 8.250 nan 0.000 0.472 1095 P HA 0.082 nan 4.420 nan 0.000 0.278 1095 P C -0.660 176.477 177.300 -0.271 0.000 1.258 1095 P CA -0.436 62.306 63.100 -0.597 0.000 0.811 1095 P CB 1.027 31.954 31.700 -1.289 0.000 1.063 1096 T N 0.955 115.398 114.554 -0.185 0.000 2.847 1096 T HA 0.060 4.410 4.350 -0.000 0.000 0.279 1096 T C 1.341 176.005 174.700 -0.061 0.000 0.984 1096 T CA -0.034 62.015 62.100 -0.086 0.000 0.988 1096 T CB 0.680 69.529 68.868 -0.031 0.000 1.040 1096 T HN 0.379 nan 8.240 nan 0.000 0.528 1097 Q N 0.817 120.600 119.800 -0.027 0.000 2.135 1097 Q HA -0.189 4.151 4.340 -0.000 0.000 0.204 1097 Q C 1.996 178.044 176.000 0.080 0.000 0.981 1097 Q CA 2.177 57.996 55.803 0.026 0.000 0.856 1097 Q CB -0.202 28.544 28.738 0.013 0.000 0.902 1097 Q HN 0.805 nan 8.270 nan 0.000 0.425 1098 E N -0.601 119.626 120.200 0.045 0.000 2.072 1098 E HA -0.187 4.163 4.350 -0.000 0.000 0.190 1098 E C 1.946 178.585 176.600 0.066 0.000 0.982 1098 E CA 1.363 57.795 56.400 0.054 0.000 0.803 1098 E CB -0.457 29.267 29.700 0.040 0.000 0.755 1098 E HN 0.459 nan 8.360 nan 0.000 0.453 1099 Q N -0.481 119.343 119.800 0.039 0.000 2.079 1099 Q HA -0.153 4.187 4.340 -0.000 0.000 0.200 1099 Q C 1.925 177.959 176.000 0.056 0.000 0.974 1099 Q CA 1.482 57.319 55.803 0.058 0.000 0.840 1099 Q CB -0.322 28.399 28.738 -0.028 0.000 0.898 1099 Q HN 0.446 nan 8.270 nan 0.000 0.430 1100 Y N 1.922 122.123 120.300 -0.165 0.000 2.163 1100 Y HA -0.231 4.319 4.550 -0.000 0.000 0.288 1100 Y C 1.660 177.627 175.900 0.111 0.000 1.136 1100 Y CA 1.636 59.690 58.100 -0.077 0.000 1.147 1100 Y CB 0.047 38.424 38.460 -0.139 0.000 0.987 1100 Y HN 0.066 nan 8.280 nan 0.000 0.509 1101 D N 0.237 120.686 120.400 0.081 0.000 2.144 1101 D HA -0.202 4.438 4.640 -0.000 0.000 0.199 1101 D C 2.006 178.293 176.300 -0.022 0.000 0.984 1101 D CA 1.530 55.531 54.000 0.001 0.000 0.834 1101 D CB -0.329 40.517 40.800 0.077 0.000 0.955 1101 D HN 0.612 nan 8.370 nan 0.000 0.465 1102 E N -0.360 119.868 120.200 0.047 0.000 2.031 1102 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 1102 E C 2.051 178.690 176.600 0.065 0.000 0.994 1102 E CA 0.600 57.033 56.400 0.055 0.000 0.800 1102 E CB -0.204 29.560 29.700 0.107 0.000 0.752 1102 E HN 0.173 nan 8.360 nan 0.000 0.447 1103 F N 2.006 121.961 119.950 0.007 0.000 2.069 1103 F HA -0.211 4.316 4.527 -0.000 0.000 0.298 1103 F C 2.383 178.155 175.800 -0.046 0.000 1.113 1103 F CA 2.192 60.243 58.000 0.086 0.000 1.214 1103 F CB -0.325 38.820 39.000 0.242 0.000 0.978 1103 F HN -0.098 nan 8.300 nan 0.000 0.474 1104 K N -0.612 119.672 120.400 -0.193 0.000 2.074 1104 K HA -0.189 4.131 4.320 -0.000 0.000 0.209 1104 K C 1.945 178.415 176.600 -0.217 0.000 1.048 1104 K CA 2.092 58.198 56.287 -0.301 0.000 0.926 1104 K CB -0.432 31.828 32.500 -0.399 0.000 0.713 1104 K HN 0.313 nan 8.250 nan 0.000 0.444 1105 T N 0.218 114.671 114.554 -0.168 0.000 2.708 1105 T HA -0.107 4.243 4.350 -0.000 0.000 0.266 1105 T C 1.768 176.344 174.700 -0.207 0.000 1.037 1105 T CA 1.891 63.908 62.100 -0.138 0.000 1.146 1105 T CB -0.409 68.402 68.868 -0.094 0.000 0.865 1105 T HN 0.371 nan 8.240 nan 0.000 0.435 1106 T N 1.901 116.260 114.554 -0.324 0.000 2.746 1106 T HA -0.068 4.282 4.350 -0.000 0.000 0.267 1106 T C 2.182 176.548 174.700 -0.555 0.000 1.039 1106 T CA 0.840 62.606 62.100 -0.557 0.000 1.142 1106 T CB -0.551 67.746 68.868 -0.951 0.000 0.866 1106 T HN 0.131 nan 8.240 nan 0.000 0.444 1107 V N 2.309 121.971 119.914 -0.421 0.000 2.237 1107 V HA -0.212 3.908 4.120 -0.000 0.000 0.245 1107 V C 3.094 179.118 176.094 -0.116 0.000 1.046 1107 V CA 2.318 64.472 62.300 -0.242 0.000 1.007 1107 V CB -1.393 30.267 31.823 -0.272 0.000 0.638 1107 V HN 0.739 nan 8.190 nan 0.000 0.445 1108 T N -0.687 113.808 114.554 -0.098 0.000 2.897 1108 T HA -0.224 4.126 4.350 -0.000 0.000 0.271 1108 T C 1.594 176.295 174.700 0.003 0.000 1.084 1108 T CA 1.214 63.297 62.100 -0.029 0.000 1.123 1108 T CB -0.445 68.409 68.868 -0.023 0.000 0.865 1108 T HN 0.517 nan 8.240 nan 0.000 0.496 1109 R N 0.065 120.561 120.500 -0.007 0.000 2.363 1109 R HA 0.225 4.565 4.340 -0.000 0.000 0.236 1109 R C 0.857 177.318 176.300 0.268 0.000 0.966 1109 R CA 0.246 56.396 56.100 0.083 0.000 1.100 1109 R CB -0.097 30.235 30.300 0.054 0.000 1.125 1109 R HN 0.670 nan 8.270 nan 0.000 0.514 1110 H N -1.211 117.837 119.070 -0.036 0.000 3.367 1110 H HA 0.050 4.606 4.556 -0.000 0.000 0.257 1110 H C 1.214 176.539 175.328 -0.004 0.000 1.201 1110 H CA 0.253 56.289 56.048 -0.019 0.000 1.102 1110 H CB 1.178 30.923 29.762 -0.027 0.000 1.656 1110 H HN 0.187 nan 8.280 nan 0.000 0.662 1111 T N -1.329 113.293 114.554 0.113 0.000 2.951 1111 T HA -0.047 4.303 4.350 -0.000 0.000 0.268 1111 T C 1.025 175.762 174.700 0.062 0.000 1.073 1111 T CA 0.241 62.380 62.100 0.066 0.000 1.134 1111 T CB 0.328 69.218 68.868 0.037 0.000 0.884 1111 T HN 0.120 nan 8.240 nan 0.000 0.479 1112 M N 1.383 121.033 119.600 0.083 0.000 2.217 1112 M HA 0.417 4.897 4.480 -0.000 0.000 0.354 1112 M C -0.818 175.551 176.300 0.115 0.000 1.225 1112 M CA -0.367 55.001 55.300 0.114 0.000 1.137 1112 M CB 0.460 33.135 32.600 0.125 0.000 1.576 1112 M HN 0.148 nan 8.290 nan 0.000 0.461 1113 I N 3.143 123.777 120.570 0.107 0.000 2.499 1113 I HA 0.147 4.317 4.170 -0.000 0.000 0.296 1113 I C 0.050 176.254 176.117 0.144 0.000 0.992 1113 I CA -0.695 60.685 61.300 0.134 0.000 1.297 1113 I CB 1.136 39.173 38.000 0.061 0.000 1.410 1113 I HN 0.654 nan 8.210 nan 0.000 0.507 1114 H N 4.775 123.879 119.070 0.057 0.000 3.064 1114 H HA -0.073 4.483 4.556 -0.000 0.000 0.329 1114 H C 0.927 176.227 175.328 -0.047 0.000 1.020 1114 H CA 0.408 56.424 56.048 -0.054 0.000 1.402 1114 H CB 0.787 30.382 29.762 -0.278 0.000 1.379 1114 H HN 0.483 nan 8.280 nan 0.000 0.594 1115 E N 3.295 123.325 120.200 -0.283 0.000 2.097 1115 E HA -0.255 4.095 4.350 -0.000 0.000 0.196 1115 E C 1.899 178.543 176.600 0.072 0.000 1.000 1115 E CA 1.360 57.713 56.400 -0.079 0.000 0.804 1115 E CB -0.189 29.431 29.700 -0.132 0.000 0.740 1115 E HN 0.721 nan 8.360 nan 0.000 0.454 1116 Q N 0.328 120.276 119.800 0.247 0.000 2.170 1116 Q HA -0.033 4.307 4.340 -0.000 0.000 0.203 1116 Q C 2.078 178.141 176.000 0.104 0.000 0.976 1116 Q CA 0.983 56.965 55.803 0.297 0.000 0.858 1116 Q CB -0.272 28.788 28.738 0.537 0.000 0.907 1116 Q HN 0.365 nan 8.270 nan 0.000 0.433 1117 I N -0.538 119.935 120.570 -0.162 0.000 2.394 1117 I HA -0.253 3.917 4.170 -0.000 0.000 0.251 1117 I C 1.803 177.977 176.117 0.096 0.000 1.136 1117 I CA 1.381 62.496 61.300 -0.308 0.000 1.425 1117 I CB -0.407 37.327 38.000 -0.443 0.000 1.079 1117 I HN 0.163 nan 8.210 nan 0.000 0.425 1118 T N 0.440 115.110 114.554 0.195 0.000 2.803 1118 T HA -0.180 4.170 4.350 -0.000 0.000 0.269 1118 T C 1.941 176.924 174.700 0.473 0.000 1.052 1118 T CA 1.238 63.556 62.100 0.363 0.000 1.136 1118 T CB -0.192 68.854 68.868 0.296 0.000 0.864 1118 T HN 0.202 nan 8.240 nan 0.000 0.467 1119 R N 0.774 121.468 120.500 0.323 0.000 2.115 1119 R HA 0.106 4.446 4.340 -0.000 0.000 0.230 1119 R C 2.141 178.605 176.300 0.273 0.000 1.111 1119 R CA 0.493 56.772 56.100 0.299 0.000 0.976 1119 R CB -0.988 29.428 30.300 0.193 0.000 0.870 1119 R HN 0.250 nan 8.270 nan 0.000 0.445 1120 L N -0.458 120.891 121.223 0.210 0.000 2.093 1120 L HA -0.016 4.324 4.340 -0.000 0.000 0.208 1120 L C 1.604 178.580 176.870 0.176 0.000 1.085 1120 L CA 1.569 56.490 54.840 0.135 0.000 0.755 1120 L CB -0.544 41.564 42.059 0.081 0.000 0.904 1120 L HN 0.047 nan 8.230 nan 0.000 0.435 1121 F N -0.035 119.951 119.950 0.060 0.000 2.095 1121 F HA -0.265 4.262 4.527 -0.000 0.000 0.298 1121 F C 2.417 177.988 175.800 -0.382 0.000 1.104 1121 F CA 2.172 60.067 58.000 -0.175 0.000 1.232 1121 F CB -0.653 38.167 39.000 -0.300 0.000 0.987 1121 F HN 0.275 nan 8.300 nan 0.000 0.475 1122 H N -1.378 117.784 119.070 0.153 0.000 2.561 1122 H HA 0.079 4.635 4.556 -0.000 0.000 0.278 1122 H C 1.920 177.358 175.328 0.184 0.000 1.014 1122 H CA 0.662 56.826 56.048 0.192 0.000 1.211 1122 H CB -0.142 29.748 29.762 0.215 0.000 1.365 1122 H HN 0.245 nan 8.280 nan 0.000 0.594 1123 A N -0.070 122.859 122.820 0.183 0.000 2.132 1123 A HA 0.109 4.429 4.320 -0.000 0.000 0.213 1123 A C 0.289 177.860 177.584 -0.021 0.000 1.154 1123 A CA -0.156 51.912 52.037 0.053 0.000 0.753 1123 A CB -0.129 18.833 19.000 -0.062 0.000 0.826 1123 A HN 0.134 nan 8.150 nan 0.000 0.469 1124 F N 0.931 120.891 119.950 0.017 0.000 2.410 1124 F HA 0.332 4.859 4.527 -0.000 0.000 0.334 1124 F C 1.186 177.117 175.800 0.219 0.000 1.134 1124 F CA -0.286 57.747 58.000 0.055 0.000 1.227 1124 F CB 0.650 39.625 39.000 -0.042 0.000 1.194 1124 F HN 0.051 nan 8.300 nan 0.000 0.571 1125 R N 1.918 122.642 120.500 0.372 0.000 2.643 1125 R HA 0.105 4.445 4.340 -0.000 0.000 0.270 1125 R C 1.242 177.753 176.300 0.352 0.000 1.061 1125 R CA -0.574 55.700 56.100 0.290 0.000 1.107 1125 R CB 0.489 30.905 30.300 0.194 0.000 0.999 1125 R HN 0.563 nan 8.270 nan 0.000 0.460 1126 R N 1.704 122.313 120.500 0.183 0.000 2.152 1126 R HA -0.127 4.212 4.340 -0.000 0.000 0.232 1126 R C 0.869 177.179 176.300 0.018 0.000 1.117 1126 R CA 1.508 57.593 56.100 -0.024 0.000 0.981 1126 R CB -0.272 29.941 30.300 -0.145 0.000 0.870 1126 R HN 0.714 nan 8.270 nan 0.000 0.451 1127 D N -0.594 119.850 120.400 0.072 0.000 2.319 1127 D HA 0.003 4.643 4.640 -0.000 0.000 0.230 1127 D C -0.195 176.177 176.300 0.120 0.000 1.094 1127 D CA -0.129 53.912 54.000 0.069 0.000 0.856 1127 D CB -0.043 40.793 40.800 0.060 0.000 0.915 1127 D HN -0.265 nan 8.370 nan 0.000 0.517 1128 S N 0.106 115.910 115.700 0.174 0.000 2.560 1128 S HA 0.001 4.471 4.470 -0.000 0.000 0.284 1128 S C -0.042 174.650 174.600 0.154 0.000 1.327 1128 S CA -0.402 57.918 58.200 0.200 0.000 1.055 1128 S CB 0.217 63.559 63.200 0.237 0.000 0.868 1128 S HN 0.509 nan 8.310 nan 0.000 0.506 1129 H N 3.572 122.707 119.070 0.108 0.000 2.803 1129 H HA 0.190 4.746 4.556 -0.000 0.000 0.330 1129 H C -1.857 173.443 175.328 -0.046 0.000 1.057 1129 H CA -1.393 54.700 56.048 0.074 0.000 1.458 1129 H CB 0.708 30.591 29.762 0.201 0.000 1.470 1129 H HN 0.284 nan 8.280 nan 0.000 0.560 1130 P HA -0.265 nan 4.420 nan 0.000 0.216 1130 P C 1.439 178.577 177.300 -0.269 0.000 1.154 1130 P CA 1.463 64.397 63.100 -0.277 0.000 0.865 1130 P CB 0.091 31.620 31.700 -0.286 0.000 0.789 1131 M N -0.672 118.766 119.600 -0.269 0.000 2.159 1131 M HA -0.076 4.404 4.480 -0.000 0.000 0.263 1131 M C 1.899 177.777 176.300 -0.704 0.000 1.063 1131 M CA 1.769 56.735 55.300 -0.557 0.000 1.110 1131 M CB -1.192 30.753 32.600 -1.091 0.000 1.374 1131 M HN -0.147 nan 8.290 nan 0.000 0.411 1132 A N -1.118 121.379 122.820 -0.538 0.000 1.898 1132 A HA -0.086 4.234 4.320 -0.000 0.000 0.216 1132 A C 2.142 179.592 177.584 -0.224 0.000 1.181 1132 A CA 1.893 53.807 52.037 -0.205 0.000 0.620 1132 A CB -1.169 17.956 19.000 0.208 0.000 0.819 1132 A HN 0.354 nan 8.150 nan 0.000 0.442 1133 V N -0.596 119.098 119.914 -0.366 0.000 2.407 1133 V HA -0.283 3.837 4.120 -0.000 0.000 0.248 1133 V C 2.565 178.303 176.094 -0.594 0.000 1.055 1133 V CA 2.315 64.152 62.300 -0.772 0.000 1.049 1133 V CB -0.677 30.745 31.823 -0.668 0.000 0.662 1133 V HN 0.666 nan 8.190 nan 0.000 0.455 1134 M N -0.408 118.976 119.600 -0.360 0.000 2.117 1134 M HA -0.177 4.303 4.480 -0.000 0.000 0.262 1134 M C 2.129 178.318 176.300 -0.185 0.000 1.065 1134 M CA 2.058 57.211 55.300 -0.245 0.000 1.114 1134 M CB -0.686 31.807 32.600 -0.178 0.000 1.361 1134 M HN 0.387 nan 8.290 nan 0.000 0.408 1135 C N -0.195 119.010 119.300 -0.160 0.000 2.446 1135 C HA -0.013 4.447 4.460 -0.000 0.000 0.277 1135 C C 2.747 177.726 174.990 -0.018 0.000 1.275 1135 C CA 0.958 59.951 59.018 -0.041 0.000 1.727 1135 C CB -1.972 25.796 27.740 0.047 0.000 2.010 1135 C HN 0.777 nan 8.230 nan 0.000 0.486 1136 G N 0.517 109.291 108.800 -0.044 0.000 2.422 1136 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.218 1136 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.218 1136 G C 1.392 176.308 174.900 0.027 0.000 1.146 1136 G CA 0.744 45.904 45.100 0.100 0.000 0.769 1136 G HN 0.389 nan 8.290 nan 0.000 0.547 1137 I N 1.281 121.727 120.570 -0.207 0.000 2.233 1137 I HA -0.074 4.096 4.170 -0.000 0.000 0.243 1137 I C 2.902 178.952 176.117 -0.111 0.000 1.093 1137 I CA 1.376 62.522 61.300 -0.257 0.000 1.380 1137 I CB -1.576 36.079 38.000 -0.575 0.000 1.067 1137 I HN 0.097 nan 8.210 nan 0.000 0.413 1138 T N 0.987 115.498 114.554 -0.072 0.000 2.759 1138 T HA -0.116 4.234 4.350 -0.000 0.000 0.269 1138 T C 1.841 176.579 174.700 0.063 0.000 1.042 1138 T CA 1.511 63.620 62.100 0.015 0.000 1.140 1138 T CB -0.683 68.211 68.868 0.042 0.000 0.864 1138 T HN 0.532 nan 8.240 nan 0.000 0.455 1139 G N 0.403 109.235 108.800 0.054 0.000 2.598 1139 G HA2 0.173 4.133 3.960 -0.000 0.000 0.215 1139 G HA3 0.173 4.133 3.960 -0.000 0.000 0.215 1139 G C 1.418 176.372 174.900 0.089 0.000 1.131 1139 G CA 0.598 45.747 45.100 0.081 0.000 0.785 1139 G HN 0.583 nan 8.290 nan 0.000 0.539 1140 A N 0.031 122.898 122.820 0.079 0.000 2.267 1140 A HA 0.436 4.756 4.320 -0.000 0.000 0.213 1140 A C 2.109 179.786 177.584 0.155 0.000 1.192 1140 A CA -0.126 51.981 52.037 0.117 0.000 0.851 1140 A CB -0.065 19.021 19.000 0.143 0.000 0.881 1140 A HN 0.302 nan 8.150 nan 0.000 0.494 1141 L N -0.773 120.476 121.223 0.043 0.000 2.131 1141 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 1141 L C 2.935 179.708 176.870 -0.162 0.000 1.092 1141 L CA 1.116 55.888 54.840 -0.114 0.000 0.759 1141 L CB -0.507 41.263 42.059 -0.482 0.000 0.903 1141 L HN 0.446 nan 8.230 nan 0.000 0.435 1142 A N 0.116 122.941 122.820 0.008 0.000 2.070 1142 A HA -0.102 4.218 4.320 -0.000 0.000 0.220 1142 A C 2.529 180.178 177.584 0.108 0.000 1.159 1142 A CA 1.478 53.620 52.037 0.174 0.000 0.656 1142 A CB -0.452 18.714 19.000 0.276 0.000 0.800 1142 A HN 0.403 nan 8.150 nan 0.000 0.453 1143 A N -1.061 121.779 122.820 0.033 0.000 1.930 1143 A HA 0.142 4.462 4.320 -0.000 0.000 0.217 1143 A C 1.815 179.226 177.584 -0.287 0.000 1.175 1143 A CA 1.395 53.342 52.037 -0.149 0.000 0.627 1143 A CB -0.487 18.349 19.000 -0.274 0.000 0.815 1143 A HN 0.461 nan 8.150 nan 0.000 0.443 1144 F N -2.126 117.724 119.950 -0.167 0.000 2.213 1144 F HA 0.156 4.683 4.527 -0.000 0.000 0.272 1144 F C 0.798 176.397 175.800 -0.335 0.000 1.095 1144 F CA 0.292 58.085 58.000 -0.345 0.000 1.128 1144 F CB -0.961 37.662 39.000 -0.628 0.000 1.091 1144 F HN 0.081 nan 8.300 nan 0.000 0.530 1145 Y N 1.968 122.264 120.300 -0.008 0.000 2.990 1145 Y HA -0.019 4.531 4.550 -0.000 0.000 0.360 1145 Y C 1.393 177.305 175.900 0.019 0.000 1.130 1145 Y CA -0.153 57.892 58.100 -0.090 0.000 2.047 1145 Y CB -1.886 36.452 38.460 -0.204 0.000 2.189 1145 Y HN 0.257 nan 8.280 nan 0.000 0.406 1146 H N -1.828 117.309 119.070 0.112 0.000 2.543 1146 H HA 0.030 4.586 4.556 -0.000 0.000 0.269 1146 H C 0.573 175.980 175.328 0.131 0.000 1.005 1146 H CA 0.445 56.565 56.048 0.120 0.000 1.146 1146 H CB -0.180 29.602 29.762 0.033 0.000 1.353 1146 H HN 0.372 nan 8.280 nan 0.000 0.595 1147 D N 0.073 120.390 120.400 -0.138 0.000 2.342 1147 D HA 0.008 4.648 4.640 -0.000 0.000 0.221 1147 D C 0.329 176.518 176.300 -0.186 0.000 1.101 1147 D CA 0.296 54.233 54.000 -0.106 0.000 0.837 1147 D CB -0.279 40.394 40.800 -0.211 0.000 0.938 1147 D HN 0.395 nan 8.370 nan 0.000 0.508 1148 S N -0.190 115.531 115.700 0.034 0.000 2.569 1148 S HA 0.319 4.789 4.470 -0.000 0.000 0.215 1148 S C 0.399 175.166 174.600 0.278 0.000 1.096 1148 S CA -0.708 57.506 58.200 0.023 0.000 1.183 1148 S CB -0.817 62.429 63.200 0.077 0.000 1.324 1148 S HN 0.166 nan 8.310 nan 0.000 0.421 1149 L N -0.082 121.377 121.223 0.394 0.000 2.858 1149 L HA 0.424 4.764 4.340 -0.000 0.000 0.251 1149 L C 0.294 177.328 176.870 0.274 0.000 1.149 1149 L CA -0.181 54.846 54.840 0.311 0.000 0.955 1149 L CB 0.185 42.421 42.059 0.295 0.000 1.289 1149 L HN 0.336 nan 8.230 nan 0.000 0.542 1150 D N 1.556 122.148 120.400 0.321 0.000 2.435 1150 D HA 0.066 4.706 4.640 -0.000 0.000 0.230 1150 D C 1.378 177.692 176.300 0.023 0.000 1.215 1150 D CA -0.009 54.015 54.000 0.040 0.000 0.947 1150 D CB 1.367 41.970 40.800 -0.329 0.000 1.048 1150 D HN 0.055 nan 8.370 nan 0.000 0.512 1151 V N 1.669 121.615 119.914 0.055 0.000 3.026 1151 V HA -0.125 3.995 4.120 -0.000 0.000 0.265 1151 V C 1.047 176.917 176.094 -0.373 0.000 1.121 1151 V CA 1.320 63.588 62.300 -0.053 0.000 1.142 1151 V CB -0.753 31.124 31.823 0.089 0.000 0.730 1151 V HN 0.305 nan 8.190 nan 0.000 0.503 1152 N N 0.763 119.325 118.700 -0.231 0.000 2.280 1152 N HA 0.093 4.833 4.740 -0.000 0.000 0.192 1152 N C 0.492 175.897 175.510 -0.175 0.000 1.109 1152 N CA 0.063 52.975 53.050 -0.230 0.000 0.855 1152 N CB 0.014 38.419 38.487 -0.137 0.000 0.974 1152 N HN 0.469 nan 8.380 nan 0.000 0.482 1153 N N 1.268 119.864 118.700 -0.173 0.000 2.462 1153 N HA 0.191 4.931 4.740 -0.000 0.000 0.242 1153 N C -2.076 173.407 175.510 -0.044 0.000 1.010 1153 N CA -2.162 50.799 53.050 -0.148 0.000 0.939 1153 N CB 1.318 39.596 38.487 -0.348 0.000 1.127 1153 N HN -0.106 nan 8.380 nan 0.000 0.509 1154 P HA -0.177 nan 4.420 nan 0.000 0.217 1154 P C 1.251 178.606 177.300 0.091 0.000 1.148 1154 P CA 1.153 64.262 63.100 0.016 0.000 0.834 1154 P CB 0.320 32.023 31.700 0.005 0.000 0.783 1155 R N -1.117 119.461 120.500 0.131 0.000 2.062 1155 R HA -0.168 4.172 4.340 -0.000 0.000 0.231 1155 R C 2.091 178.546 176.300 0.259 0.000 1.136 1155 R CA 1.545 57.760 56.100 0.192 0.000 0.948 1155 R CB -0.681 29.748 30.300 0.215 0.000 0.845 1155 R HN 0.205 nan 8.270 nan 0.000 0.430 1156 H N 0.140 119.260 119.070 0.084 0.000 2.352 1156 H HA -0.044 4.512 4.556 -0.000 0.000 0.299 1156 H C 2.163 177.564 175.328 0.123 0.000 1.097 1156 H CA 1.787 57.898 56.048 0.105 0.000 1.311 1156 H CB -0.082 29.737 29.762 0.096 0.000 1.377 1156 H HN 0.205 nan 8.280 nan 0.000 0.504 1157 R N 0.084 120.738 120.500 0.258 0.000 2.096 1157 R HA -0.120 4.220 4.340 -0.000 0.000 0.235 1157 R C 2.204 178.634 176.300 0.217 0.000 1.127 1157 R CA 1.329 57.588 56.100 0.264 0.000 0.968 1157 R CB -0.001 30.408 30.300 0.182 0.000 0.861 1157 R HN 0.489 nan 8.270 nan 0.000 0.440 1158 E N 0.834 121.148 120.200 0.190 0.000 2.112 1158 E HA -0.094 4.256 4.350 -0.000 0.000 0.190 1158 E C 1.928 178.702 176.600 0.290 0.000 0.979 1158 E CA 0.565 57.088 56.400 0.205 0.000 0.814 1158 E CB 0.119 29.961 29.700 0.237 0.000 0.762 1158 E HN 0.256 nan 8.360 nan 0.000 0.460 1159 I N 1.020 121.741 120.570 0.251 0.000 2.286 1159 I HA -0.247 3.923 4.170 -0.000 0.000 0.248 1159 I C 2.497 178.749 176.117 0.225 0.000 1.115 1159 I CA 0.972 62.425 61.300 0.255 0.000 1.392 1159 I CB -0.251 37.842 38.000 0.156 0.000 1.065 1159 I HN 0.169 nan 8.210 nan 0.000 0.418 1160 A N 0.698 123.596 122.820 0.132 0.000 1.872 1160 A HA -0.079 4.241 4.320 -0.000 0.000 0.214 1160 A C 2.565 180.133 177.584 -0.026 0.000 1.187 1160 A CA 1.544 53.575 52.037 -0.011 0.000 0.614 1160 A CB -0.807 18.058 19.000 -0.225 0.000 0.826 1160 A HN 0.392 nan 8.150 nan 0.000 0.442 1161 A N -1.264 121.555 122.820 -0.001 0.000 1.940 1161 A HA -0.050 4.270 4.320 -0.000 0.000 0.219 1161 A C 1.947 179.494 177.584 -0.061 0.000 1.176 1161 A CA 1.634 53.638 52.037 -0.054 0.000 0.631 1161 A CB -0.719 18.238 19.000 -0.071 0.000 0.814 1161 A HN 0.448 nan 8.150 nan 0.000 0.446 1162 F N -0.334 119.635 119.950 0.032 0.000 2.206 1162 F HA -0.025 4.502 4.527 -0.000 0.000 0.298 1162 F C 2.512 178.329 175.800 0.028 0.000 1.090 1162 F CA 1.391 59.378 58.000 -0.021 0.000 1.323 1162 F CB -0.316 38.617 39.000 -0.113 0.000 1.028 1162 F HN 0.105 nan 8.300 nan 0.000 0.492 1163 R N -0.057 120.614 120.500 0.284 0.000 2.073 1163 R HA -0.164 4.176 4.340 -0.000 0.000 0.234 1163 R C 2.211 178.586 176.300 0.127 0.000 1.134 1163 R CA 1.500 57.711 56.100 0.186 0.000 0.952 1163 R CB -0.703 29.655 30.300 0.096 0.000 0.850 1163 R HN 0.290 nan 8.270 nan 0.000 0.433 1164 L N 0.139 121.445 121.223 0.139 0.000 2.017 1164 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 1164 L C 2.355 179.294 176.870 0.116 0.000 1.073 1164 L CA 0.764 55.681 54.840 0.128 0.000 0.745 1164 L CB -0.406 41.700 42.059 0.079 0.000 0.894 1164 L HN 0.190 nan 8.230 nan 0.000 0.432 1165 L N -0.883 120.400 121.223 0.100 0.000 2.083 1165 L HA -0.192 4.148 4.340 -0.000 0.000 0.209 1165 L C 2.538 179.510 176.870 0.171 0.000 1.083 1165 L CA 1.768 56.682 54.840 0.124 0.000 0.752 1165 L CB -0.418 41.671 42.059 0.051 0.000 0.899 1165 L HN 0.117 nan 8.230 nan 0.000 0.433 1166 S N -0.660 115.123 115.700 0.139 0.000 2.357 1166 S HA -0.112 4.358 4.470 -0.000 0.000 0.221 1166 S C 1.823 176.470 174.600 0.079 0.000 1.031 1166 S CA 1.288 59.558 58.200 0.117 0.000 0.982 1166 S CB -0.137 63.142 63.200 0.131 0.000 0.853 1166 S HN 0.457 nan 8.310 nan 0.000 0.458 1167 K N 0.698 121.138 120.400 0.067 0.000 2.228 1167 K HA 0.167 4.487 4.320 -0.000 0.000 0.202 1167 K C 2.058 178.679 176.600 0.035 0.000 1.051 1167 K CA 0.495 56.803 56.287 0.035 0.000 0.960 1167 K CB -0.140 32.362 32.500 0.004 0.000 0.743 1167 K HN 0.215 nan 8.250 nan 0.000 0.458 1168 M N 0.845 120.483 119.600 0.063 0.000 2.089 1168 M HA -0.128 4.352 4.480 -0.000 0.000 0.257 1168 M C -0.843 175.462 176.300 0.009 0.000 1.071 1168 M CA 2.001 57.333 55.300 0.055 0.000 1.096 1168 M CB -1.806 30.848 32.600 0.089 0.000 1.330 1168 M HN -0.059 nan 8.290 nan 0.000 0.403 1169 P HA -0.078 nan 4.420 nan 0.000 0.216 1169 P C 1.437 178.755 177.300 0.030 0.000 1.153 1169 P CA 1.474 64.525 63.100 -0.082 0.000 0.848 1169 P CB -0.292 31.240 31.700 -0.281 0.000 0.787 1170 T N -0.675 113.863 114.554 -0.026 0.000 2.708 1170 T HA -0.144 4.206 4.350 -0.000 0.000 0.266 1170 T C 1.813 176.447 174.700 -0.110 0.000 1.037 1170 T CA 1.522 63.580 62.100 -0.070 0.000 1.146 1170 T CB -0.822 68.008 68.868 -0.063 0.000 0.865 1170 T HN 0.093 nan 8.240 nan 0.000 0.435 1171 M N 0.991 120.569 119.600 -0.038 0.000 2.132 1171 M HA 0.003 4.483 4.480 -0.000 0.000 0.263 1171 M C 2.888 179.198 176.300 0.017 0.000 1.065 1171 M CA 1.458 56.774 55.300 0.027 0.000 1.122 1171 M CB -0.542 32.111 32.600 0.088 0.000 1.365 1171 M HN 0.313 nan 8.290 nan 0.000 0.411 1172 A N 0.682 123.521 122.820 0.031 0.000 1.883 1172 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 1172 A C 2.404 180.038 177.584 0.083 0.000 1.186 1172 A CA 2.106 54.183 52.037 0.066 0.000 0.624 1172 A CB -1.009 18.038 19.000 0.079 0.000 0.822 1172 A HN 0.496 nan 8.150 nan 0.000 0.444 1173 A N -0.716 122.151 122.820 0.078 0.000 1.877 1173 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 1173 A C 2.245 179.731 177.584 -0.164 0.000 1.186 1173 A CA 1.893 53.873 52.037 -0.095 0.000 0.620 1173 A CB -0.553 18.323 19.000 -0.206 0.000 0.822 1173 A HN 0.523 nan 8.150 nan 0.000 0.443 1174 M N -1.032 118.350 119.600 -0.364 0.000 2.213 1174 M HA -0.193 4.287 4.480 -0.000 0.000 0.263 1174 M C 2.261 178.319 176.300 -0.404 0.000 1.062 1174 M CA 1.218 56.051 55.300 -0.778 0.000 1.105 1174 M CB -0.647 30.906 32.600 -1.745 0.000 1.385 1174 M HN 0.561 nan 8.290 nan 0.000 0.417 1175 C N -0.950 118.284 119.300 -0.111 0.000 2.429 1175 C HA -0.193 4.267 4.460 -0.000 0.000 0.277 1175 C C 2.599 177.634 174.990 0.077 0.000 1.262 1175 C CA 0.757 59.819 59.018 0.073 0.000 1.733 1175 C CB -0.980 26.781 27.740 0.034 0.000 2.010 1175 C HN 0.571 nan 8.230 nan 0.000 0.483 1176 Y N 1.937 122.181 120.300 -0.092 0.000 2.089 1176 Y HA -0.199 4.351 4.550 -0.000 0.000 0.282 1176 Y C 2.483 178.341 175.900 -0.069 0.000 1.139 1176 Y CA 1.608 59.636 58.100 -0.119 0.000 1.123 1176 Y CB -0.215 38.113 38.460 -0.220 0.000 0.980 1176 Y HN 0.062 nan 8.280 nan 0.000 0.493 1177 K N 0.027 120.316 120.400 -0.185 0.000 2.044 1177 K HA -0.294 4.026 4.320 -0.000 0.000 0.210 1177 K C 1.977 178.516 176.600 -0.101 0.000 1.049 1177 K CA 2.086 58.258 56.287 -0.193 0.000 0.927 1177 K CB -1.321 31.220 32.500 0.069 0.000 0.713 1177 K HN 0.558 nan 8.250 nan 0.000 0.443 1178 Y N 2.023 122.332 120.300 0.015 0.000 2.165 1178 Y HA -0.285 4.265 4.550 -0.000 0.000 0.286 1178 Y C 2.595 178.441 175.900 -0.089 0.000 1.155 1178 Y CA 2.179 60.284 58.100 0.008 0.000 1.164 1178 Y CB -0.168 38.388 38.460 0.160 0.000 0.978 1178 Y HN 0.237 nan 8.280 nan 0.000 0.513 1179 S N 0.242 115.884 115.700 -0.096 0.000 2.423 1179 S HA -0.188 4.282 4.470 -0.000 0.000 0.231 1179 S C 1.592 176.034 174.600 -0.263 0.000 1.014 1179 S CA 1.309 59.407 58.200 -0.170 0.000 0.965 1179 S CB -1.111 62.023 63.200 -0.111 0.000 0.785 1179 S HN 0.665 nan 8.310 nan 0.000 0.495 1180 I N -3.184 117.172 120.570 -0.358 0.000 4.018 1180 I HA 0.584 4.753 4.170 -0.000 0.000 0.337 1180 I C 1.243 177.199 176.117 -0.268 0.000 1.327 1180 I CA 0.031 61.139 61.300 -0.320 0.000 1.100 1180 I CB -0.237 37.509 38.000 -0.424 0.000 1.025 1180 I HN 0.312 nan 8.210 nan 0.000 0.396 1181 G N 1.622 110.242 108.800 -0.300 0.000 2.176 1181 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.252 1181 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.252 1181 G C -0.109 174.661 174.900 -0.217 0.000 1.024 1181 G CA 0.110 45.051 45.100 -0.265 0.000 0.755 1181 G HN 0.631 nan 8.290 nan 0.000 0.507 1182 Q N 0.198 119.863 119.800 -0.225 0.000 2.257 1182 Q HA 0.493 4.833 4.340 -0.000 0.000 0.262 1182 Q C -2.167 173.712 176.000 -0.203 0.000 0.997 1182 Q CA -1.996 53.701 55.803 -0.178 0.000 0.873 1182 Q CB 2.189 30.837 28.738 -0.150 0.000 1.312 1182 Q HN 0.256 nan 8.270 nan 0.000 0.450 1183 P HA 0.009 nan 4.420 nan 0.000 0.269 1183 P C -0.858 176.365 177.300 -0.128 0.000 1.209 1183 P CA 0.049 63.019 63.100 -0.216 0.000 0.776 1183 P CB 0.396 32.020 31.700 -0.126 0.000 0.876 1184 F N 0.682 120.526 119.950 -0.177 0.000 2.506 1184 F HA 0.108 4.634 4.527 -0.000 0.000 0.351 1184 F C 0.949 176.572 175.800 -0.296 0.000 1.136 1184 F CA -0.445 57.382 58.000 -0.288 0.000 1.298 1184 F CB -0.107 38.655 39.000 -0.396 0.000 1.145 1184 F HN -0.016 nan 8.300 nan 0.000 0.593 1185 V N 3.701 123.554 119.914 -0.103 0.000 2.459 1185 V HA 0.282 4.402 4.120 -0.000 0.000 0.295 1185 V C -0.499 175.477 176.094 -0.196 0.000 1.029 1185 V CA -1.064 61.164 62.300 -0.120 0.000 0.874 1185 V CB 1.139 32.902 31.823 -0.100 0.000 0.985 1185 V HN 0.464 nan 8.190 nan 0.000 0.438 1186 Y N 4.738 125.026 120.300 -0.021 0.000 2.301 1186 Y HA 0.354 4.904 4.550 -0.000 0.000 0.328 1186 Y C -1.697 174.182 175.900 -0.035 0.000 1.242 1186 Y CA -1.759 56.324 58.100 -0.028 0.000 1.323 1186 Y CB 0.360 38.812 38.460 -0.013 0.000 1.266 1186 Y HN 0.469 nan 8.280 nan 0.000 0.527 1187 P HA 0.101 nan 4.420 nan 0.000 0.269 1187 P C -0.745 176.597 177.300 0.070 0.000 1.215 1187 P CA -0.100 63.037 63.100 0.061 0.000 0.780 1187 P CB 0.565 32.295 31.700 0.050 0.000 0.898 1188 R N 2.588 123.114 120.500 0.043 0.000 2.310 1188 R HA 0.204 4.543 4.340 -0.000 0.000 0.316 1188 R C 0.435 176.758 176.300 0.037 0.000 1.004 1188 R CA -0.520 55.606 56.100 0.043 0.000 0.900 1188 R CB 0.552 30.880 30.300 0.047 0.000 1.152 1188 R HN 0.387 nan 8.270 nan 0.000 0.513 1189 N N 1.495 120.214 118.700 0.031 0.000 2.258 1189 N HA -0.197 4.543 4.740 -0.000 0.000 0.187 1189 N C 0.982 176.512 175.510 0.033 0.000 1.012 1189 N CA 1.528 54.594 53.050 0.027 0.000 0.870 1189 N CB 0.161 38.658 38.487 0.018 0.000 0.977 1189 N HN 0.608 nan 8.380 nan 0.000 0.434 1190 D N -0.689 119.733 120.400 0.037 0.000 2.347 1190 D HA -0.059 4.581 4.640 -0.000 0.000 0.213 1190 D C 0.388 176.722 176.300 0.057 0.000 0.985 1190 D CA 0.093 54.119 54.000 0.044 0.000 0.879 1190 D CB 0.151 40.974 40.800 0.039 0.000 0.919 1190 D HN 0.204 nan 8.370 nan 0.000 0.526 1191 L N 1.539 122.799 121.223 0.061 0.000 2.379 1191 L HA 0.199 4.539 4.340 -0.000 0.000 0.269 1191 L C 1.048 177.976 176.870 0.096 0.000 1.084 1191 L CA -0.846 54.041 54.840 0.078 0.000 0.802 1191 L CB 1.696 43.800 42.059 0.076 0.000 1.175 1191 L HN -0.010 nan 8.230 nan 0.000 0.448 1192 S N 0.354 116.128 115.700 0.124 0.000 2.608 1192 S HA -0.015 4.455 4.470 -0.000 0.000 0.261 1192 S C 0.925 175.648 174.600 0.206 0.000 1.314 1192 S CA -0.216 58.088 58.200 0.173 0.000 0.992 1192 S CB 0.415 63.725 63.200 0.184 0.000 0.935 1192 S HN 0.599 nan 8.310 nan 0.000 0.564 1193 Y N 1.513 121.901 120.300 0.147 0.000 2.053 1193 Y HA -0.193 4.357 4.550 -0.000 0.000 0.277 1193 Y C 2.614 178.610 175.900 0.160 0.000 1.159 1193 Y CA 2.427 60.623 58.100 0.160 0.000 1.125 1193 Y CB -1.039 37.555 38.460 0.224 0.000 0.969 1193 Y HN 0.813 nan 8.280 nan 0.000 0.492 1194 A N -0.144 122.955 122.820 0.465 0.000 1.930 1194 A HA -0.068 4.252 4.320 -0.000 0.000 0.217 1194 A C 2.394 180.128 177.584 0.250 0.000 1.175 1194 A CA 1.572 53.821 52.037 0.353 0.000 0.627 1194 A CB -1.648 17.517 19.000 0.276 0.000 0.815 1194 A HN 0.628 nan 8.150 nan 0.000 0.443 1195 G N -0.062 108.857 108.800 0.198 0.000 2.408 1195 G HA2 -0.274 3.685 3.960 -0.000 0.000 0.217 1195 G HA3 -0.274 3.685 3.960 -0.000 0.000 0.217 1195 G C 1.466 176.439 174.900 0.122 0.000 1.150 1195 G CA 1.241 46.437 45.100 0.160 0.000 0.776 1195 G HN 0.609 nan 8.290 nan 0.000 0.542 1196 N N -0.119 118.635 118.700 0.090 0.000 2.188 1196 N HA -0.105 4.635 4.740 -0.000 0.000 0.184 1196 N C 1.776 177.285 175.510 -0.001 0.000 1.018 1196 N CA 0.938 54.006 53.050 0.030 0.000 0.858 1196 N CB -0.362 38.120 38.487 -0.009 0.000 0.989 1196 N HN 0.231 nan 8.380 nan 0.000 0.426 1197 F N 0.727 120.593 119.950 -0.139 0.000 2.186 1197 F HA 0.082 4.609 4.527 -0.000 0.000 0.299 1197 F C 1.796 177.513 175.800 -0.140 0.000 1.090 1197 F CA 0.975 58.871 58.000 -0.172 0.000 1.307 1197 F CB -0.309 38.583 39.000 -0.180 0.000 1.019 1197 F HN 0.056 nan 8.300 nan 0.000 0.489 1198 L N 0.082 121.213 121.223 -0.154 0.000 2.093 1198 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 1198 L C 2.221 178.931 176.870 -0.267 0.000 1.085 1198 L CA 1.671 56.408 54.840 -0.173 0.000 0.755 1198 L CB -0.777 41.382 42.059 0.168 0.000 0.904 1198 L HN 0.210 nan 8.230 nan 0.000 0.435 1199 N N 0.062 118.666 118.700 -0.161 0.000 2.188 1199 N HA -0.168 4.572 4.740 -0.000 0.000 0.184 1199 N C 1.888 177.207 175.510 -0.318 0.000 1.018 1199 N CA 1.349 54.260 53.050 -0.231 0.000 0.858 1199 N CB -0.010 38.470 38.487 -0.013 0.000 0.989 1199 N HN 0.176 nan 8.380 nan 0.000 0.426 1200 M N -0.810 118.608 119.600 -0.302 0.000 2.394 1200 M HA -0.054 4.426 4.480 -0.000 0.000 0.264 1200 M C 1.513 177.562 176.300 -0.418 0.000 1.073 1200 M CA 0.795 55.916 55.300 -0.299 0.000 1.111 1200 M CB -0.028 32.427 32.600 -0.241 0.000 1.401 1200 M HN 0.267 nan 8.290 nan 0.000 0.448 1201 M N -1.112 118.083 119.600 -0.675 0.000 2.216 1201 M HA 0.003 4.483 4.480 -0.000 0.000 0.264 1201 M C 1.444 177.299 176.300 -0.743 0.000 1.080 1201 M CA 1.813 56.586 55.300 -0.877 0.000 1.153 1201 M CB -0.550 31.123 32.600 -1.545 0.000 1.356 1201 M HN 0.224 nan 8.290 nan 0.000 0.432 1202 F N -0.306 119.394 119.950 -0.416 0.000 2.706 1202 F HA 0.133 4.660 4.527 -0.000 0.000 0.308 1202 F C 1.525 177.008 175.800 -0.528 0.000 1.095 1202 F CA -0.625 57.132 58.000 -0.405 0.000 1.244 1202 F CB 0.026 38.788 39.000 -0.395 0.000 1.063 1202 F HN 0.007 nan 8.300 nan 0.000 0.582 1203 S N -0.163 115.248 115.700 -0.481 0.000 2.600 1203 S HA 0.525 4.995 4.470 -0.000 0.000 0.265 1203 S C 0.020 174.577 174.600 -0.073 0.000 1.325 1203 S CA -0.116 57.930 58.200 -0.257 0.000 1.002 1203 S CB 1.499 64.599 63.200 -0.166 0.000 0.921 1203 S HN 0.046 nan 8.310 nan 0.000 0.554 1204 T N 1.645 116.203 114.554 0.007 0.000 2.868 1204 T HA 0.524 4.874 4.350 -0.000 0.000 0.306 1204 T C -2.295 172.421 174.700 0.027 0.000 1.224 1204 T CA -0.975 61.132 62.100 0.011 0.000 1.012 1204 T CB 1.702 70.585 68.868 0.025 0.000 1.221 1204 T HN 0.389 nan 8.240 nan 0.000 0.499 1205 P HA 0.050 nan 4.420 nan 0.000 0.223 1205 P C 1.222 178.536 177.300 0.023 0.000 1.151 1205 P CA 0.608 63.721 63.100 0.021 0.000 0.787 1205 P CB -0.077 31.629 31.700 0.010 0.000 0.788 1206 C N 0.063 119.376 119.300 0.022 0.000 2.403 1206 C HA -0.089 4.371 4.460 -0.000 0.000 0.277 1206 C C 1.301 176.309 174.990 0.030 0.000 1.248 1206 C CA 0.808 59.839 59.018 0.022 0.000 1.762 1206 C CB -1.549 26.203 27.740 0.021 0.000 2.014 1206 C HN 0.409 nan 8.230 nan 0.000 0.486 1207 E N -0.808 119.420 120.200 0.045 0.000 2.429 1207 E HA 0.401 4.751 4.350 -0.000 0.000 0.280 1207 E C -3.313 173.333 176.600 0.075 0.000 1.068 1207 E CA -1.415 55.015 56.400 0.050 0.000 0.837 1207 E CB 0.595 30.322 29.700 0.044 0.000 1.357 1207 E HN -0.118 nan 8.360 nan 0.000 0.455 1208 P HA 0.115 nan 4.420 nan 0.000 0.271 1208 P C -1.608 175.771 177.300 0.132 0.000 1.218 1208 P CA -0.046 63.107 63.100 0.089 0.000 0.780 1208 P CB 0.106 31.837 31.700 0.053 0.000 0.901 1209 Y N 1.417 121.730 120.300 0.023 0.000 2.342 1209 Y HA 0.383 4.933 4.550 -0.000 0.000 0.334 1209 Y C 0.167 176.081 175.900 0.023 0.000 1.067 1209 Y CA -0.722 57.394 58.100 0.027 0.000 1.128 1209 Y CB 1.292 39.778 38.460 0.042 0.000 1.200 1209 Y HN 0.249 nan 8.280 nan 0.000 0.464 1210 E N 4.001 123.918 120.200 -0.472 0.000 2.133 1210 E HA 0.338 4.688 4.350 -0.000 0.000 0.274 1210 E C -1.467 174.875 176.600 -0.429 0.000 0.930 1210 E CA -0.576 55.639 56.400 -0.309 0.000 0.770 1210 E CB 1.253 30.825 29.700 -0.215 0.000 1.104 1210 E HN 0.495 nan 8.360 nan 0.000 0.403 1211 V N 5.814 125.645 119.914 -0.139 0.000 2.387 1211 V HA 0.093 4.213 4.120 -0.000 0.000 0.260 1211 V C 0.669 176.740 176.094 -0.040 0.000 1.054 1211 V CA -0.662 61.623 62.300 -0.025 0.000 0.967 1211 V CB 0.253 32.137 31.823 0.102 0.000 1.036 1211 V HN 0.609 nan 8.190 nan 0.000 0.481 1212 N N 7.207 125.871 118.700 -0.061 0.000 2.447 1212 N HA 0.070 4.810 4.740 -0.000 0.000 0.263 1212 N C -1.608 173.904 175.510 0.003 0.000 1.226 1212 N CA -1.205 51.820 53.050 -0.042 0.000 0.906 1212 N CB 1.920 40.377 38.487 -0.051 0.000 1.060 1212 N HN 0.249 nan 8.380 nan 0.000 0.468 1213 P HA -0.067 nan 4.420 nan 0.000 0.215 1213 P C 1.346 178.658 177.300 0.020 0.000 1.153 1213 P CA 1.191 64.301 63.100 0.017 0.000 0.853 1213 P CB 0.286 31.990 31.700 0.007 0.000 0.788 1214 I N -1.615 118.958 120.570 0.004 0.000 2.315 1214 I HA -0.177 3.993 4.170 -0.000 0.000 0.248 1214 I C 2.181 178.309 176.117 0.017 0.000 1.117 1214 I CA 1.160 62.461 61.300 0.001 0.000 1.404 1214 I CB -0.557 37.430 38.000 -0.022 0.000 1.071 1214 I HN -0.097 nan 8.210 nan 0.000 0.419 1215 L N 0.270 121.508 121.223 0.025 0.000 2.109 1215 L HA -0.147 4.193 4.340 -0.000 0.000 0.207 1215 L C 2.569 179.489 176.870 0.084 0.000 1.086 1215 L CA 1.161 56.032 54.840 0.050 0.000 0.760 1215 L CB -0.594 41.495 42.059 0.051 0.000 0.910 1215 L HN 0.304 nan 8.230 nan 0.000 0.437 1216 E N 0.847 121.098 120.200 0.086 0.000 2.077 1216 E HA -0.280 4.070 4.350 -0.000 0.000 0.193 1216 E C 2.352 179.014 176.600 0.103 0.000 0.989 1216 E CA 1.234 57.700 56.400 0.111 0.000 0.800 1216 E CB 0.109 29.870 29.700 0.101 0.000 0.746 1216 E HN 0.302 nan 8.360 nan 0.000 0.452 1217 R N 0.022 120.566 120.500 0.074 0.000 2.073 1217 R HA -0.066 4.274 4.340 -0.000 0.000 0.229 1217 R C 2.267 178.605 176.300 0.063 0.000 1.120 1217 R CA 1.187 57.326 56.100 0.065 0.000 0.967 1217 R CB -0.290 30.036 30.300 0.043 0.000 0.862 1217 R HN 0.173 nan 8.270 nan 0.000 0.436 1218 A N 1.203 124.057 122.820 0.057 0.000 1.883 1218 A HA -0.250 4.070 4.320 -0.000 0.000 0.217 1218 A C 2.129 179.756 177.584 0.072 0.000 1.186 1218 A CA 1.842 53.913 52.037 0.056 0.000 0.624 1218 A CB -0.609 18.419 19.000 0.047 0.000 0.822 1218 A HN 0.476 nan 8.150 nan 0.000 0.444 1219 M N 0.194 119.851 119.600 0.094 0.000 2.117 1219 M HA -0.132 4.348 4.480 -0.000 0.000 0.262 1219 M C 1.679 178.025 176.300 0.076 0.000 1.065 1219 M CA 2.294 57.660 55.300 0.109 0.000 1.114 1219 M CB -0.644 32.060 32.600 0.174 0.000 1.361 1219 M HN 0.535 nan 8.290 nan 0.000 0.408 1220 D N -0.587 119.867 120.400 0.090 0.000 2.149 1220 D HA -0.189 4.451 4.640 -0.000 0.000 0.198 1220 D C 1.946 178.277 176.300 0.051 0.000 0.990 1220 D CA 1.155 55.200 54.000 0.075 0.000 0.839 1220 D CB 0.058 40.928 40.800 0.116 0.000 0.948 1220 D HN 0.442 nan 8.370 nan 0.000 0.460 1221 R N -0.020 120.516 120.500 0.059 0.000 2.092 1221 R HA -0.009 4.331 4.340 -0.000 0.000 0.231 1221 R C 2.649 178.987 176.300 0.064 0.000 1.119 1221 R CA 0.559 56.693 56.100 0.057 0.000 0.970 1221 R CB -0.071 30.258 30.300 0.048 0.000 0.864 1221 R HN 0.287 nan 8.270 nan 0.000 0.440 1222 I N 0.629 121.244 120.570 0.076 0.000 2.226 1222 I HA -0.287 3.883 4.170 -0.000 0.000 0.245 1222 I C 1.821 178.029 176.117 0.152 0.000 1.100 1222 I CA 0.989 62.374 61.300 0.142 0.000 1.374 1222 I CB -0.194 37.874 38.000 0.113 0.000 1.057 1222 I HN 0.102 nan 8.210 nan 0.000 0.413 1223 L N 0.425 121.623 121.223 -0.041 0.000 2.017 1223 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 1223 L C 2.376 179.211 176.870 -0.058 0.000 1.073 1223 L CA 1.840 56.518 54.840 -0.271 0.000 0.745 1223 L CB -0.794 40.786 42.059 -0.798 0.000 0.894 1223 L HN 0.168 nan 8.230 nan 0.000 0.432 1224 I N -0.963 119.649 120.570 0.070 0.000 2.163 1224 I HA -0.337 3.833 4.170 -0.000 0.000 0.243 1224 I C 2.187 178.365 176.117 0.100 0.000 1.085 1224 I CA 1.286 62.682 61.300 0.161 0.000 1.347 1224 I CB -0.305 37.769 38.000 0.124 0.000 1.044 1224 I HN 0.187 nan 8.210 nan 0.000 0.408 1225 L N -0.454 120.793 121.223 0.040 0.000 2.456 1225 L HA -0.161 4.179 4.340 -0.000 0.000 0.224 1225 L C 1.260 177.947 176.870 -0.305 0.000 1.148 1225 L CA 0.960 55.740 54.840 -0.099 0.000 0.825 1225 L CB -0.588 41.373 42.059 -0.164 0.000 0.937 1225 L HN 0.368 nan 8.230 nan 0.000 0.450 1226 H N -1.944 117.078 119.070 -0.081 0.000 2.674 1226 H HA 0.294 4.850 4.556 -0.000 0.000 0.274 1226 H C 1.835 177.109 175.328 -0.091 0.000 1.121 1226 H CA 0.358 56.322 56.048 -0.140 0.000 1.132 1226 H CB 0.481 30.108 29.762 -0.224 0.000 1.606 1226 H HN 0.138 nan 8.280 nan 0.000 0.558 1227 A N 0.072 122.927 122.820 0.058 0.000 1.908 1227 A HA -0.086 4.233 4.320 -0.000 0.000 0.218 1227 A C 0.516 178.057 177.584 -0.071 0.000 1.181 1227 A CA 1.934 53.988 52.037 0.028 0.000 0.627 1227 A CB 0.060 19.061 19.000 0.003 0.000 0.818 1227 A HN 0.462 nan 8.150 nan 0.000 0.445 1228 D N -4.944 115.440 120.400 -0.028 0.000 2.663 1228 D HA 0.352 4.992 4.640 -0.000 0.000 0.233 1228 D C -0.917 175.566 176.300 0.306 0.000 1.240 1228 D CA -0.528 53.522 54.000 0.084 0.000 0.774 1228 D CB 0.685 41.526 40.800 0.069 0.000 1.443 1228 D HN 0.184 nan 8.370 nan 0.000 0.441 1229 H N 2.797 121.949 119.070 0.137 0.000 2.901 1229 H HA 0.202 4.758 4.556 -0.000 0.000 0.227 1229 H C -0.093 175.284 175.328 0.082 0.000 1.390 1229 H CA -0.276 55.848 56.048 0.128 0.000 1.120 1229 H CB 0.279 30.100 29.762 0.098 0.000 2.131 1229 H HN 0.592 nan 8.280 nan 0.000 0.549 1230 E N 0.461 120.735 120.200 0.123 0.000 4.788 1230 E HA -0.222 4.128 4.350 -0.000 0.000 0.194 1230 E C -0.385 176.145 176.600 -0.116 0.000 1.477 1230 E CA 0.575 56.986 56.400 0.020 0.000 2.443 1230 E CB -0.073 29.556 29.700 -0.118 0.000 2.075 1230 E HN 0.485 nan 8.360 nan 0.000 0.466 1231 Q N 1.379 121.115 119.800 -0.107 0.000 2.683 1231 Q HA 0.016 4.356 4.340 -0.000 0.000 0.199 1231 Q C 0.007 175.966 176.000 -0.069 0.000 1.057 1231 Q CA 0.816 56.556 55.803 -0.105 0.000 0.959 1231 Q CB -1.578 27.121 28.738 -0.065 0.000 1.683 1231 Q HN 0.295 nan 8.270 nan 0.000 0.423 1232 N N -1.426 117.255 118.700 -0.032 0.000 2.418 1232 N HA 0.360 5.100 4.740 -0.000 0.000 0.283 1232 N C 0.964 176.513 175.510 0.066 0.000 1.267 1232 N CA -0.013 53.060 53.050 0.038 0.000 0.975 1232 N CB 0.264 38.824 38.487 0.122 0.000 1.167 1232 N HN -0.009 nan 8.380 nan 0.000 0.581 1233 A N -0.202 122.672 122.820 0.090 0.000 1.908 1233 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 1233 A C 2.144 179.776 177.584 0.080 0.000 1.181 1233 A CA 2.365 54.450 52.037 0.081 0.000 0.627 1233 A CB -1.618 17.430 19.000 0.081 0.000 0.818 1233 A HN 0.806 nan 8.150 nan 0.000 0.445 1234 S N -1.485 114.297 115.700 0.138 0.000 2.387 1234 S HA -0.119 4.351 4.470 -0.000 0.000 0.226 1234 S C 1.852 176.466 174.600 0.022 0.000 1.026 1234 S CA 1.759 60.024 58.200 0.109 0.000 0.972 1234 S CB -1.094 62.308 63.200 0.337 0.000 0.814 1234 S HN 0.449 nan 8.310 nan 0.000 0.477 1235 T N 2.057 116.706 114.554 0.157 0.000 2.821 1235 T HA -0.050 4.300 4.350 -0.000 0.000 0.267 1235 T C 2.085 176.778 174.700 -0.012 0.000 1.046 1235 T CA 1.459 63.607 62.100 0.080 0.000 1.139 1235 T CB -0.646 68.199 68.868 -0.037 0.000 0.871 1235 T HN 0.568 nan 8.240 nan 0.000 0.454 1236 S N 0.449 116.148 115.700 -0.003 0.000 2.368 1236 S HA -0.162 4.308 4.470 -0.000 0.000 0.225 1236 S C 2.211 176.809 174.600 -0.005 0.000 1.030 1236 S CA 1.990 60.190 58.200 0.000 0.000 0.999 1236 S CB -0.733 62.485 63.200 0.030 0.000 0.844 1236 S HN 0.527 nan 8.310 nan 0.000 0.459 1237 T N 1.744 116.283 114.554 -0.025 0.000 2.708 1237 T HA -0.073 4.277 4.350 -0.000 0.000 0.266 1237 T C 1.846 176.507 174.700 -0.065 0.000 1.037 1237 T CA 1.560 63.633 62.100 -0.044 0.000 1.146 1237 T CB -0.587 68.235 68.868 -0.077 0.000 0.865 1237 T HN 0.273 nan 8.240 nan 0.000 0.435 1238 V N 1.414 121.252 119.914 -0.128 0.000 2.255 1238 V HA -0.230 3.890 4.120 -0.000 0.000 0.247 1238 V C 2.630 178.771 176.094 0.078 0.000 1.051 1238 V CA 1.802 64.046 62.300 -0.094 0.000 1.018 1238 V CB -0.562 31.161 31.823 -0.167 0.000 0.641 1238 V HN 0.382 nan 8.190 nan 0.000 0.445 1239 R N -0.564 119.978 120.500 0.069 0.000 2.096 1239 R HA -0.135 4.205 4.340 -0.000 0.000 0.235 1239 R C 2.402 178.715 176.300 0.022 0.000 1.127 1239 R CA 1.929 58.067 56.100 0.063 0.000 0.968 1239 R CB -0.595 29.722 30.300 0.029 0.000 0.861 1239 R HN 0.503 nan 8.270 nan 0.000 0.440 1240 T N 0.407 114.971 114.554 0.016 0.000 2.857 1240 T HA -0.031 4.319 4.350 -0.000 0.000 0.266 1240 T C 1.855 176.575 174.700 0.032 0.000 1.048 1240 T CA 1.188 63.296 62.100 0.014 0.000 1.139 1240 T CB -0.085 68.796 68.868 0.022 0.000 0.874 1240 T HN 0.350 nan 8.240 nan 0.000 0.455 1241 A N 1.314 124.161 122.820 0.044 0.000 1.930 1241 A HA 0.180 4.500 4.320 -0.000 0.000 0.217 1241 A C 2.579 180.236 177.584 0.121 0.000 1.175 1241 A CA 1.677 53.751 52.037 0.062 0.000 0.627 1241 A CB -1.213 17.807 19.000 0.034 0.000 0.815 1241 A HN 0.497 nan 8.150 nan 0.000 0.443 1242 G N 0.072 108.983 108.800 0.185 0.000 2.422 1242 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.218 1242 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.218 1242 G C 1.909 176.830 174.900 0.035 0.000 1.140 1242 G CA 1.613 46.895 45.100 0.303 0.000 0.775 1242 G HN 0.818 nan 8.290 nan 0.000 0.545 1243 S N 1.462 117.143 115.700 -0.031 0.000 2.382 1243 S HA -0.182 4.288 4.470 -0.000 0.000 0.228 1243 S C 2.443 177.047 174.600 0.007 0.000 1.027 1243 S CA 1.871 60.031 58.200 -0.067 0.000 0.991 1243 S CB -0.664 62.505 63.200 -0.051 0.000 0.823 1243 S HN 0.594 nan 8.310 nan 0.000 0.469 1244 S N 0.681 116.409 115.700 0.047 0.000 2.481 1244 S HA 0.345 4.815 4.470 -0.000 0.000 0.231 1244 S C 1.666 176.322 174.600 0.092 0.000 0.996 1244 S CA 0.735 58.971 58.200 0.061 0.000 0.942 1244 S CB -0.765 62.471 63.200 0.061 0.000 0.768 1244 S HN 1.649 nan 8.310 nan 0.000 0.520 1245 G N 0.495 109.380 108.800 0.142 0.000 2.163 1245 G HA2 0.010 3.970 3.960 -0.000 0.000 0.213 1245 G HA3 0.010 3.970 3.960 -0.000 0.000 0.213 1245 G C 0.233 175.262 174.900 0.215 0.000 0.991 1245 G CA -0.128 45.086 45.100 0.190 0.000 0.653 1245 G HN 1.240 nan 8.290 nan 0.000 0.518 1246 A N 0.272 123.214 122.820 0.204 0.000 2.520 1246 A HA 0.502 4.822 4.320 -0.000 0.000 0.235 1246 A C 0.837 178.555 177.584 0.223 0.000 1.065 1246 A CA 0.759 52.903 52.037 0.177 0.000 0.764 1246 A CB -0.052 19.028 19.000 0.133 0.000 1.002 1246 A HN 1.863 nan 8.150 nan 0.000 0.502 1247 N N 1.979 120.775 118.700 0.160 0.000 2.381 1247 N HA 0.203 4.943 4.740 -0.000 0.000 0.241 1247 N C -2.228 173.237 175.510 -0.075 0.000 1.279 1247 N CA -0.700 52.425 53.050 0.124 0.000 0.896 1247 N CB 0.111 38.700 38.487 0.170 0.000 1.118 1247 N HN 0.229 nan 8.380 nan 0.000 0.438 1248 P HA -0.159 nan 4.420 nan 0.000 0.216 1248 P C 0.576 177.451 177.300 -0.708 0.000 1.154 1248 P CA 1.574 64.105 63.100 -0.948 0.000 0.865 1248 P CB -0.089 30.933 31.700 -1.130 0.000 0.789 1249 F N -0.484 119.376 119.950 -0.151 0.000 2.186 1249 F HA -0.059 4.468 4.527 -0.000 0.000 0.299 1249 F C 2.492 178.247 175.800 -0.075 0.000 1.090 1249 F CA 0.900 58.850 58.000 -0.084 0.000 1.307 1249 F CB -1.398 37.605 39.000 0.005 0.000 1.019 1249 F HN -0.127 nan 8.300 nan 0.000 0.489 1250 A N -0.541 122.339 122.820 0.100 0.000 1.933 1250 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 1250 A C 2.213 179.776 177.584 -0.036 0.000 1.175 1250 A CA 1.756 53.825 52.037 0.053 0.000 0.628 1250 A CB -1.485 17.557 19.000 0.070 0.000 0.814 1250 A HN 0.508 nan 8.150 nan 0.000 0.444 1251 C N -0.478 118.750 119.300 -0.121 0.000 2.446 1251 C HA -0.061 4.399 4.460 -0.000 0.000 0.277 1251 C C 2.506 177.345 174.990 -0.252 0.000 1.275 1251 C CA 0.717 59.625 59.018 -0.184 0.000 1.727 1251 C CB -1.048 26.516 27.740 -0.294 0.000 2.010 1251 C HN 0.578 nan 8.230 nan 0.000 0.486 1252 I N 1.689 122.118 120.570 -0.237 0.000 2.315 1252 I HA -0.132 4.038 4.170 -0.000 0.000 0.248 1252 I C 2.735 178.753 176.117 -0.165 0.000 1.117 1252 I CA 1.797 62.989 61.300 -0.180 0.000 1.404 1252 I CB -1.700 36.298 38.000 -0.004 0.000 1.071 1252 I HN 0.263 nan 8.210 nan 0.000 0.419 1253 A N 0.901 123.679 122.820 -0.071 0.000 1.902 1253 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 1253 A C 2.574 180.112 177.584 -0.077 0.000 1.181 1253 A CA 1.848 53.868 52.037 -0.029 0.000 0.623 1253 A CB -0.700 18.315 19.000 0.025 0.000 0.818 1253 A HN 0.396 nan 8.150 nan 0.000 0.443 1254 A N -0.495 122.255 122.820 -0.118 0.000 1.933 1254 A HA 0.131 4.451 4.320 -0.000 0.000 0.218 1254 A C 2.376 179.816 177.584 -0.241 0.000 1.175 1254 A CA 1.852 53.816 52.037 -0.121 0.000 0.628 1254 A CB -1.296 17.643 19.000 -0.102 0.000 0.814 1254 A HN 0.721 nan 8.150 nan 0.000 0.444 1255 G N -0.180 108.306 108.800 -0.524 0.000 2.422 1255 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.218 1255 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.218 1255 G C 1.490 175.981 174.900 -0.681 0.000 1.140 1255 G CA 1.065 45.566 45.100 -0.999 0.000 0.775 1255 G HN 0.486 nan 8.290 nan 0.000 0.545 1256 I N 1.098 121.470 120.570 -0.328 0.000 2.286 1256 I HA -0.067 4.102 4.170 -0.000 0.000 0.245 1256 I C 3.224 179.437 176.117 0.159 0.000 1.104 1256 I CA 0.809 62.171 61.300 0.103 0.000 1.397 1256 I CB -0.129 37.943 38.000 0.120 0.000 1.072 1256 I HN 0.224 nan 8.210 nan 0.000 0.417 1257 A N -0.198 122.699 122.820 0.127 0.000 1.972 1257 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 1257 A C 2.476 180.189 177.584 0.214 0.000 1.169 1257 A CA 2.110 54.305 52.037 0.264 0.000 0.635 1257 A CB -0.677 18.447 19.000 0.207 0.000 0.810 1257 A HN 0.395 nan 8.150 nan 0.000 0.446 1258 S N -0.945 114.813 115.700 0.097 0.000 2.383 1258 S HA -0.101 4.369 4.470 -0.000 0.000 0.227 1258 S C 1.875 176.564 174.600 0.147 0.000 1.026 1258 S CA 1.370 59.617 58.200 0.079 0.000 0.981 1258 S CB -0.374 62.827 63.200 0.001 0.000 0.818 1258 S HN 0.437 nan 8.310 nan 0.000 0.472 1259 L N 0.369 121.732 121.223 0.233 0.000 2.109 1259 L HA 0.127 4.467 4.340 -0.000 0.000 0.207 1259 L C 1.954 178.996 176.870 0.288 0.000 1.086 1259 L CA 1.613 56.640 54.840 0.312 0.000 0.760 1259 L CB -0.730 41.606 42.059 0.462 0.000 0.910 1259 L HN 0.566 nan 8.230 nan 0.000 0.437 1260 W N 0.725 122.048 121.300 0.038 0.000 2.381 1260 W HA 0.010 4.670 4.660 -0.000 0.000 0.301 1260 W C 2.238 178.586 176.519 -0.285 0.000 1.205 1260 W CA 1.512 58.801 57.345 -0.093 0.000 1.285 1260 W CB -1.103 28.309 29.460 -0.080 0.000 1.133 1260 W HN 0.260 nan 8.180 nan 0.000 0.521 1261 G N 2.342 111.081 108.800 -0.102 0.000 2.864 1261 G HA2 -0.336 3.623 3.960 -0.000 0.000 0.250 1261 G HA3 -0.336 3.623 3.960 -0.000 0.000 0.250 1261 G C -1.214 173.509 174.900 -0.295 0.000 1.154 1261 G CA 1.704 46.656 45.100 -0.247 0.000 0.755 1261 G HN 0.265 nan 8.290 nan 0.000 0.697 1262 P HA 0.334 nan 4.420 nan 0.000 0.246 1262 P C -0.215 177.032 177.300 -0.089 0.000 1.675 1262 P CA 1.241 64.295 63.100 -0.077 0.000 0.908 1262 P CB -0.138 31.556 31.700 -0.010 0.000 1.890 1263 A N -0.659 122.033 122.820 -0.213 0.000 2.504 1263 A HA 0.139 4.459 4.320 -0.000 0.000 0.233 1263 A C 0.983 178.427 177.584 -0.232 0.000 1.079 1263 A CA -0.179 51.764 52.037 -0.157 0.000 1.080 1263 A CB -0.725 18.247 19.000 -0.047 0.000 1.144 1263 A HN 0.263 nan 8.150 nan 0.000 0.491 1264 H N -0.234 118.675 119.070 -0.268 0.000 2.582 1264 H HA 0.223 4.779 4.556 -0.000 0.000 0.269 1264 H C 1.716 176.929 175.328 -0.192 0.000 0.962 1264 H CA 0.178 56.027 56.048 -0.331 0.000 1.230 1264 H CB 0.616 30.127 29.762 -0.420 0.000 1.445 1264 H HN 0.502 nan 8.280 nan 0.000 0.528 1265 G N -0.377 108.414 108.800 -0.015 0.000 2.664 1265 G HA2 0.115 4.075 3.960 -0.000 0.000 0.242 1265 G HA3 0.115 4.075 3.960 -0.000 0.000 0.242 1265 G C 1.202 176.088 174.900 -0.024 0.000 1.225 1265 G CA 0.071 45.155 45.100 -0.027 0.000 0.849 1265 G HN 0.367 nan 8.290 nan 0.000 0.581 1266 G N 0.584 109.370 108.800 -0.024 0.000 2.453 1266 G HA2 0.043 4.003 3.960 -0.000 0.000 0.215 1266 G HA3 0.043 4.003 3.960 -0.000 0.000 0.215 1266 G C 1.951 176.843 174.900 -0.012 0.000 1.201 1266 G CA 1.497 46.587 45.100 -0.016 0.000 0.784 1266 G HN 1.072 nan 8.290 nan 0.000 0.545 1267 A N 0.686 123.493 122.820 -0.022 0.000 2.259 1267 A HA -0.002 4.318 4.320 -0.000 0.000 0.212 1267 A C 2.070 179.637 177.584 -0.027 0.000 1.178 1267 A CA 1.755 53.774 52.037 -0.029 0.000 0.734 1267 A CB -0.424 18.546 19.000 -0.050 0.000 0.774 1267 A HN 0.433 nan 8.150 nan 0.000 0.481 1268 N N 0.069 118.758 118.700 -0.018 0.000 2.148 1268 N HA -0.043 4.697 4.740 -0.000 0.000 0.186 1268 N C 1.437 176.960 175.510 0.021 0.000 1.031 1268 N CA 1.695 54.740 53.050 -0.007 0.000 0.848 1268 N CB -0.223 38.254 38.487 -0.017 0.000 1.005 1268 N HN 0.553 nan 8.380 nan 0.000 0.427 1269 E N 0.234 120.448 120.200 0.024 0.000 2.250 1269 E HA 0.234 4.584 4.350 -0.000 0.000 0.192 1269 E C 1.725 178.349 176.600 0.040 0.000 0.986 1269 E CA 0.536 56.962 56.400 0.044 0.000 0.849 1269 E CB -0.139 29.590 29.700 0.048 0.000 0.797 1269 E HN 0.320 nan 8.360 nan 0.000 0.482 1270 A N 1.336 124.172 122.820 0.026 0.000 1.940 1270 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 1270 A C 2.315 179.920 177.584 0.033 0.000 1.176 1270 A CA 1.905 53.957 52.037 0.025 0.000 0.631 1270 A CB -0.697 18.310 19.000 0.011 0.000 0.814 1270 A HN 0.301 nan 8.150 nan 0.000 0.446 1271 A N -0.472 122.366 122.820 0.031 0.000 1.855 1271 A HA 0.195 4.515 4.320 -0.000 0.000 0.213 1271 A C 1.737 179.372 177.584 0.085 0.000 1.195 1271 A CA 0.976 53.042 52.037 0.049 0.000 0.610 1271 A CB -0.496 18.517 19.000 0.021 0.000 0.837 1271 A HN 0.412 nan 8.150 nan 0.000 0.444 1272 L N -0.256 121.019 121.223 0.086 0.000 2.762 1272 L HA -0.001 4.339 4.340 -0.000 0.000 0.250 1272 L C 1.903 178.826 176.870 0.087 0.000 1.160 1272 L CA 0.284 55.189 54.840 0.108 0.000 0.951 1272 L CB -0.290 41.836 42.059 0.111 0.000 1.148 1272 L HN 0.310 nan 8.230 nan 0.000 0.424 1273 K N 1.018 121.463 120.400 0.074 0.000 2.102 1273 K HA 0.074 4.394 4.320 -0.000 0.000 0.208 1273 K C 1.885 178.524 176.600 0.065 0.000 1.027 1273 K CA 1.181 57.504 56.287 0.060 0.000 0.958 1273 K CB -0.047 32.483 32.500 0.050 0.000 0.819 1273 K HN 0.039 nan 8.250 nan 0.000 0.453 1274 M N 0.897 120.538 119.600 0.068 0.000 2.358 1274 M HA -0.058 4.422 4.480 -0.000 0.000 0.264 1274 M C 1.711 178.062 176.300 0.085 0.000 1.064 1274 M CA 0.710 56.051 55.300 0.068 0.000 1.093 1274 M CB -0.228 32.412 32.600 0.066 0.000 1.401 1274 M HN 0.105 nan 8.290 nan 0.000 0.440 1275 L N 0.677 121.965 121.223 0.109 0.000 2.263 1275 L HA -0.201 4.139 4.340 -0.000 0.000 0.216 1275 L C 2.043 178.982 176.870 0.114 0.000 1.111 1275 L CA 2.027 56.950 54.840 0.139 0.000 0.773 1275 L CB -0.253 41.909 42.059 0.173 0.000 0.906 1275 L HN 0.329 nan 8.230 nan 0.000 0.439 1276 E N -1.658 118.597 120.200 0.091 0.000 2.489 1276 E HA -0.066 4.284 4.350 -0.000 0.000 0.208 1276 E C 1.833 178.466 176.600 0.055 0.000 0.814 1276 E CA 0.441 56.886 56.400 0.075 0.000 1.348 1276 E CB -0.265 29.481 29.700 0.077 0.000 1.334 1276 E HN 0.401 nan 8.360 nan 0.000 0.672 1277 E N -0.002 120.229 120.200 0.051 0.000 2.333 1277 E HA -0.110 4.240 4.350 -0.000 0.000 0.200 1277 E C -0.164 176.458 176.600 0.037 0.000 1.010 1277 E CA 0.666 57.090 56.400 0.041 0.000 0.841 1277 E CB 0.173 29.897 29.700 0.041 0.000 0.757 1277 E HN 0.182 nan 8.360 nan 0.000 0.508 1278 I N -0.077 120.518 120.570 0.042 0.000 2.498 1278 I HA 0.304 4.474 4.170 -0.000 0.000 0.290 1278 I C 0.220 176.358 176.117 0.034 0.000 1.032 1278 I CA -0.564 60.756 61.300 0.034 0.000 1.073 1278 I CB 1.692 39.711 38.000 0.031 0.000 1.251 1278 I HN -0.102 nan 8.210 nan 0.000 0.426 1279 G N 6.678 115.494 108.800 0.027 0.000 4.160 1279 G HA2 0.584 4.544 3.960 -0.000 0.000 0.341 1279 G HA3 0.584 4.544 3.960 -0.000 0.000 0.341 1279 G C -0.553 174.358 174.900 0.018 0.000 1.510 1279 G CA -0.462 44.654 45.100 0.026 0.000 1.011 1279 G HN 0.647 nan 8.290 nan 0.000 0.491 1280 K N 0.924 121.332 120.400 0.014 0.000 2.575 1280 K HA 0.247 4.567 4.320 -0.000 0.000 0.271 1280 K C -0.180 176.415 176.600 -0.009 0.000 1.013 1280 K CA -0.990 55.299 56.287 0.004 0.000 0.939 1280 K CB 1.305 33.806 32.500 0.001 0.000 1.328 1280 K HN -0.016 nan 8.250 nan 0.000 0.450 1281 K N 1.605 122.000 120.400 -0.009 0.000 1.976 1281 K HA -0.206 4.113 4.320 -0.000 0.000 0.233 1281 K C 0.118 176.682 176.600 -0.061 0.000 1.012 1281 K CA 1.970 58.242 56.287 -0.024 0.000 1.049 1281 K CB -0.326 32.163 32.500 -0.020 0.000 0.722 1281 K HN 0.701 nan 8.250 nan 0.000 0.465 1282 E N 0.752 120.906 120.200 -0.076 0.000 2.574 1282 E HA -0.035 4.315 4.350 -0.000 0.000 0.306 1282 E C 0.041 176.551 176.600 -0.151 0.000 1.166 1282 E CA 0.114 56.430 56.400 -0.140 0.000 1.263 1282 E CB -0.426 29.205 29.700 -0.116 0.000 1.078 1282 E HN 0.325 nan 8.360 nan 0.000 0.481 1283 N N 0.234 118.848 118.700 -0.142 0.000 2.329 1283 N HA 0.041 4.781 4.740 -0.000 0.000 0.303 1283 N C 1.007 176.467 175.510 -0.082 0.000 0.752 1283 N CA -0.072 52.915 53.050 -0.105 0.000 0.890 1283 N CB 0.217 38.679 38.487 -0.042 0.000 1.999 1283 N HN 0.079 nan 8.380 nan 0.000 1.182 1284 I N 1.805 122.346 120.570 -0.049 0.000 2.400 1284 I HA 0.079 4.249 4.170 -0.000 0.000 0.248 1284 I C -1.152 174.945 176.117 -0.033 0.000 1.109 1284 I CA 0.579 61.872 61.300 -0.011 0.000 1.425 1284 I CB -0.788 37.229 38.000 0.029 0.000 1.094 1284 I HN 0.217 nan 8.210 nan 0.000 0.425 1285 P HA -0.128 nan 4.420 nan 0.000 0.206 1285 P C 0.304 177.496 177.300 -0.179 0.000 1.198 1285 P CA 0.576 63.619 63.100 -0.096 0.000 0.902 1285 P CB -0.308 31.332 31.700 -0.101 0.000 0.740 1286 E N 1.679 121.710 120.200 -0.282 0.000 2.420 1286 E HA -0.182 4.168 4.350 -0.000 0.000 0.306 1286 E C -0.482 175.604 176.600 -0.855 0.000 0.689 1286 E CA -0.107 55.963 56.400 -0.550 0.000 1.134 1286 E CB -1.393 27.874 29.700 -0.723 0.000 0.659 1286 E HN 0.273 nan 8.360 nan 0.000 0.428 1287 F N 0.135 120.079 119.950 -0.010 0.000 3.048 1287 F HA -0.318 4.209 4.527 -0.000 0.000 0.269 1287 F C -0.529 175.270 175.800 -0.001 0.000 0.960 1287 F CA 0.765 58.760 58.000 -0.007 0.000 0.909 1287 F CB -2.058 36.940 39.000 -0.003 0.000 0.837 1287 F HN 0.109 nan 8.300 nan 0.000 0.768 1288 V N -0.164 119.802 119.914 0.087 0.000 5.043 1288 V HA 0.239 4.359 4.120 -0.000 0.000 0.147 1288 V C 1.856 177.988 176.094 0.064 0.000 0.943 1288 V CA 0.215 62.567 62.300 0.087 0.000 1.408 1288 V CB -0.005 31.820 31.823 0.003 0.000 2.221 1288 V HN 0.257 nan 8.190 nan 0.000 0.440 1289 R N 0.605 121.130 120.500 0.041 0.000 2.858 1289 R HA 0.028 4.368 4.340 -0.000 0.000 0.228 1289 R C 1.787 178.118 176.300 0.050 0.000 1.471 1289 R CA 0.139 56.275 56.100 0.060 0.000 1.342 1289 R CB -0.094 30.252 30.300 0.077 0.000 1.152 1289 R HN 0.321 nan 8.270 nan 0.000 0.521 1290 R N -0.846 119.665 120.500 0.018 0.000 2.075 1290 R HA 0.012 4.352 4.340 -0.000 0.000 0.226 1290 R C 1.392 177.640 176.300 -0.086 0.000 1.114 1290 R CA 1.519 57.590 56.100 -0.049 0.000 0.972 1290 R CB -0.220 30.063 30.300 -0.028 0.000 0.869 1290 R HN 0.275 nan 8.270 nan 0.000 0.437 1291 A N 0.090 122.909 122.820 -0.003 0.000 2.498 1291 A HA 0.130 4.450 4.320 -0.000 0.000 0.238 1291 A C 1.593 179.212 177.584 0.057 0.000 1.225 1291 A CA -0.162 51.891 52.037 0.027 0.000 0.978 1291 A CB 0.299 19.317 19.000 0.029 0.000 1.142 1291 A HN 0.015 nan 8.150 nan 0.000 0.552 1292 K N 2.043 122.478 120.400 0.057 0.000 2.519 1292 K HA -0.106 4.214 4.320 -0.000 0.000 0.196 1292 K C -0.447 176.185 176.600 0.053 0.000 1.041 1292 K CA 1.002 57.322 56.287 0.055 0.000 0.954 1292 K CB -0.693 31.843 32.500 0.059 0.000 0.774 1292 K HN 0.705 nan 8.250 nan 0.000 0.480 1293 D N -0.865 119.581 120.400 0.076 0.000 2.277 1293 D HA 0.172 4.811 4.640 -0.000 0.000 0.249 1293 D C 0.337 176.627 176.300 -0.018 0.000 1.134 1293 D CA -0.486 53.537 54.000 0.038 0.000 0.863 1293 D CB 1.636 42.526 40.800 0.150 0.000 1.143 1293 D HN -0.210 nan 8.370 nan 0.000 0.458 1294 K N 2.136 122.490 120.400 -0.076 0.000 2.274 1294 K HA 0.104 4.424 4.320 -0.000 0.000 0.219 1294 K C 1.344 177.873 176.600 -0.119 0.000 1.058 1294 K CA 0.344 56.592 56.287 -0.066 0.000 0.920 1294 K CB -0.387 32.093 32.500 -0.033 0.000 1.124 1294 K HN 0.401 nan 8.250 nan 0.000 0.464 1295 N N 0.373 118.988 118.700 -0.142 0.000 2.272 1295 N HA -0.061 4.679 4.740 -0.000 0.000 0.195 1295 N C 0.999 176.364 175.510 -0.243 0.000 1.048 1295 N CA 1.758 54.723 53.050 -0.142 0.000 0.912 1295 N CB -0.133 38.299 38.487 -0.093 0.000 1.096 1295 N HN -0.044 nan 8.380 nan 0.000 0.471 1296 D N -0.388 119.859 120.400 -0.255 0.000 2.278 1296 D HA 0.111 4.751 4.640 -0.000 0.000 0.228 1296 D C 0.315 176.170 176.300 -0.742 0.000 1.020 1296 D CA 1.327 55.129 54.000 -0.330 0.000 0.922 1296 D CB -0.593 40.113 40.800 -0.157 0.000 1.051 1296 D HN 0.258 nan 8.370 nan 0.000 0.452 1297 S N -1.233 114.189 115.700 -0.464 0.000 3.521 1297 S HA -0.221 4.249 4.470 -0.000 0.000 0.328 1297 S C 0.429 174.864 174.600 -0.275 0.000 1.165 1297 S CA 0.815 58.778 58.200 -0.395 0.000 0.941 1297 S CB -1.539 61.428 63.200 -0.389 0.000 0.951 1297 S HN 0.362 nan 8.310 nan 0.000 0.539 1298 F N -1.017 118.994 119.950 0.101 0.000 1.793 1298 F HA 0.277 4.804 4.527 0.000 0.000 0.236 1298 F C 1.830 177.752 175.800 0.203 0.000 1.208 1298 F CA -0.608 57.476 58.000 0.139 0.000 1.311 1298 F CB -0.386 38.623 39.000 0.014 0.000 1.820 1298 F HN 0.001 nan 8.300 nan 0.000 0.373 1299 R N 1.456 122.134 120.500 0.296 0.000 2.303 1299 R HA -0.021 4.319 4.340 -0.000 0.000 0.225 1299 R C 1.411 177.779 176.300 0.113 0.000 1.114 1299 R CA 1.047 57.243 56.100 0.160 0.000 1.007 1299 R CB -0.350 30.003 30.300 0.088 0.000 0.861 1299 R HN 0.410 nan 8.270 nan 0.000 0.471 1300 L N -1.307 119.995 121.223 0.132 0.000 2.463 1300 L HA 0.105 4.444 4.340 -0.000 0.000 0.219 1300 L C 1.239 178.209 176.870 0.165 0.000 1.088 1300 L CA 0.181 55.092 54.840 0.119 0.000 0.849 1300 L CB 0.070 42.179 42.059 0.083 0.000 1.012 1300 L HN 0.180 nan 8.230 nan 0.000 0.468 1301 M N -0.489 119.252 119.600 0.235 0.000 2.495 1301 M HA 0.274 4.753 4.480 -0.000 0.000 0.237 1301 M C 1.063 177.413 176.300 0.084 0.000 1.131 1301 M CA 0.446 55.898 55.300 0.254 0.000 1.032 1301 M CB 0.426 33.299 32.600 0.455 0.000 1.513 1301 M HN 0.174 nan 8.290 nan 0.000 0.488 1302 G N 0.112 108.919 108.800 0.012 0.000 2.173 1302 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.174 1302 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.174 1302 G C -0.624 174.006 174.900 -0.451 0.000 1.025 1302 G CA -0.824 44.179 45.100 -0.162 0.000 0.706 1302 G HN 0.297 nan 8.290 nan 0.000 0.499 1303 F N 0.643 120.639 119.950 0.077 0.000 2.460 1303 F HA 0.668 5.195 4.527 -0.000 0.000 0.341 1303 F C 0.877 176.584 175.800 -0.154 0.000 1.130 1303 F CA 0.024 58.016 58.000 -0.013 0.000 0.962 1303 F CB 1.813 40.871 39.000 0.096 0.000 1.171 1303 F HN 1.063 nan 8.300 nan 0.000 0.436 1304 G N 2.216 110.826 108.800 -0.317 0.000 2.757 1304 G HA2 0.011 3.971 3.960 -0.000 0.000 0.638 1304 G HA3 0.011 3.971 3.960 -0.000 0.000 0.638 1304 G C -1.554 173.186 174.900 -0.266 0.000 1.344 1304 G CA -0.730 44.017 45.100 -0.589 0.000 0.855 1304 G HN 1.096 nan 8.290 nan 0.000 0.537 1305 H N -1.053 117.915 119.070 -0.169 0.000 3.153 1305 H HA 0.380 4.936 4.556 -0.000 0.000 0.323 1305 H C 1.398 176.783 175.328 0.096 0.000 1.096 1305 H CA 0.067 56.158 56.048 0.071 0.000 1.385 1305 H CB 0.713 30.634 29.762 0.265 0.000 2.027 1305 H HN 0.828 nan 8.280 nan 0.000 0.499 1306 R N 2.557 123.300 120.500 0.404 0.000 2.235 1306 R HA -0.012 4.328 4.340 -0.000 0.000 0.213 1306 R C 0.247 176.557 176.300 0.017 0.000 1.059 1306 R CA 1.579 57.782 56.100 0.172 0.000 0.997 1306 R CB -0.073 30.303 30.300 0.128 0.000 0.884 1306 R HN 0.249 nan 8.270 nan 0.000 0.462 1307 V N 0.136 119.949 119.914 -0.167 0.000 2.331 1307 V HA -0.040 4.079 4.120 -0.000 0.000 0.242 1307 V C 0.509 176.263 176.094 -0.567 0.000 1.034 1307 V CA 0.925 62.895 62.300 -0.549 0.000 1.027 1307 V CB -0.401 30.800 31.823 -1.035 0.000 0.667 1307 V HN 0.146 nan 8.190 nan 0.000 0.457 1308 Y N 0.301 120.490 120.300 -0.185 0.000 2.310 1308 Y HA 0.314 4.864 4.550 -0.000 0.000 0.326 1308 Y C 1.221 177.122 175.900 0.001 0.000 1.151 1308 Y CA -0.501 57.520 58.100 -0.133 0.000 1.195 1308 Y CB 0.965 39.318 38.460 -0.178 0.000 1.210 1308 Y HN -0.080 nan 8.280 nan 0.000 0.483 1309 K N 1.131 121.578 120.400 0.078 0.000 2.029 1309 K HA -0.062 4.258 4.320 -0.000 0.000 0.205 1309 K C 0.768 177.421 176.600 0.087 0.000 1.042 1309 K CA 1.358 57.694 56.287 0.081 0.000 0.949 1309 K CB 0.131 32.645 32.500 0.024 0.000 0.740 1309 K HN 0.694 nan 8.250 nan 0.000 0.442 1310 N N -0.956 117.692 118.700 -0.085 0.000 2.454 1310 N HA 0.045 4.785 4.740 -0.000 0.000 0.177 1310 N C -0.215 175.043 175.510 -0.419 0.000 1.049 1310 N CA 0.460 53.461 53.050 -0.082 0.000 0.887 1310 N CB 0.635 39.184 38.487 0.103 0.000 1.095 1310 N HN 0.230 nan 8.380 nan 0.000 0.446 1311 Y N -1.514 118.389 120.300 -0.660 0.000 2.689 1311 Y HA 0.506 5.056 4.550 -0.000 0.000 0.333 1311 Y C -1.760 173.793 175.900 -0.579 0.000 1.208 1311 Y CA -1.562 56.011 58.100 -0.878 0.000 1.055 1311 Y CB 0.576 38.777 38.460 -0.432 0.000 1.304 1311 Y HN -0.329 nan 8.280 nan 0.000 0.455 1312 D N 3.230 123.459 120.400 -0.284 0.000 2.373 1312 D HA 0.347 4.987 4.640 -0.000 0.000 0.227 1312 D C -1.770 174.366 176.300 -0.272 0.000 1.091 1312 D CA -2.781 50.998 54.000 -0.368 0.000 0.840 1312 D CB 1.735 42.599 40.800 0.107 0.000 1.060 1312 D HN 0.409 nan 8.370 nan 0.000 0.502 1313 P HA -0.135 nan 4.420 nan 0.000 0.223 1313 P C 0.911 178.142 177.300 -0.115 0.000 1.144 1313 P CA 0.742 63.743 63.100 -0.165 0.000 0.783 1313 P CB 0.480 32.037 31.700 -0.239 0.000 0.771 1314 R N -0.088 120.317 120.500 -0.158 0.000 2.153 1314 R HA 0.128 4.468 4.340 -0.000 0.000 0.218 1314 R C 2.467 178.733 176.300 -0.056 0.000 1.072 1314 R CA 1.015 57.055 56.100 -0.100 0.000 0.990 1314 R CB -0.722 29.491 30.300 -0.145 0.000 0.889 1314 R HN 0.121 nan 8.270 nan 0.000 0.452 1315 A N 0.723 123.538 122.820 -0.009 0.000 2.067 1315 A HA -0.103 4.216 4.320 -0.000 0.000 0.219 1315 A C 1.914 179.420 177.584 -0.131 0.000 1.158 1315 A CA 1.466 53.522 52.037 0.032 0.000 0.661 1315 A CB -0.580 18.549 19.000 0.214 0.000 0.801 1315 A HN 0.217 nan 8.150 nan 0.000 0.452 1316 T N -0.099 114.395 114.554 -0.099 0.000 2.555 1316 T HA -0.176 4.173 4.350 -0.000 0.000 0.264 1316 T C 1.839 176.456 174.700 -0.138 0.000 1.083 1316 T CA 1.967 63.987 62.100 -0.134 0.000 1.179 1316 T CB -0.601 68.208 68.868 -0.098 0.000 0.863 1316 T HN 0.162 nan 8.240 nan 0.000 0.412 1317 V N 1.044 120.905 119.914 -0.088 0.000 2.515 1317 V HA -0.106 4.014 4.120 -0.000 0.000 0.250 1317 V C 2.424 178.480 176.094 -0.063 0.000 1.058 1317 V CA 1.542 63.805 62.300 -0.063 0.000 1.064 1317 V CB -0.618 31.186 31.823 -0.031 0.000 0.675 1317 V HN 0.365 nan 8.190 nan 0.000 0.461 1318 M N -0.008 119.551 119.600 -0.068 0.000 2.213 1318 M HA -0.139 4.341 4.480 -0.000 0.000 0.263 1318 M C 2.188 178.433 176.300 -0.091 0.000 1.062 1318 M CA 1.772 57.058 55.300 -0.025 0.000 1.105 1318 M CB -0.452 32.180 32.600 0.053 0.000 1.385 1318 M HN 0.164 nan 8.290 nan 0.000 0.417 1319 R N -0.269 120.021 120.500 -0.349 0.000 2.090 1319 R HA -0.121 4.219 4.340 -0.000 0.000 0.228 1319 R C 1.825 178.033 176.300 -0.154 0.000 1.110 1319 R CA 1.708 57.497 56.100 -0.517 0.000 0.973 1319 R CB -0.184 29.581 30.300 -0.891 0.000 0.869 1319 R HN 0.506 nan 8.270 nan 0.000 0.440 1320 E N -0.497 119.638 120.200 -0.108 0.000 2.058 1320 E HA -0.159 4.191 4.350 -0.000 0.000 0.194 1320 E C 1.827 178.460 176.600 0.055 0.000 0.997 1320 E CA 1.951 58.345 56.400 -0.011 0.000 0.801 1320 E CB -0.129 29.559 29.700 -0.021 0.000 0.746 1320 E HN 0.334 nan 8.360 nan 0.000 0.450 1321 T N 0.700 115.268 114.554 0.023 0.000 2.833 1321 T HA -0.194 4.156 4.350 -0.000 0.000 0.269 1321 T C 2.034 176.760 174.700 0.043 0.000 1.054 1321 T CA 0.901 63.020 62.100 0.031 0.000 1.135 1321 T CB -0.531 68.354 68.868 0.028 0.000 0.869 1321 T HN 0.304 nan 8.240 nan 0.000 0.466 1322 C N 1.242 120.584 119.300 0.069 0.000 2.413 1322 C HA -0.160 4.300 4.460 -0.000 0.000 0.276 1322 C C 2.652 177.705 174.990 0.103 0.000 1.248 1322 C CA 1.394 60.471 59.018 0.099 0.000 1.742 1322 C CB -1.169 26.678 27.740 0.178 0.000 2.017 1322 C HN 0.758 nan 8.230 nan 0.000 0.481 1323 H N 1.037 120.124 119.070 0.028 0.000 2.270 1323 H HA -0.111 4.445 4.556 0.000 0.000 0.299 1323 H C 2.002 177.339 175.328 0.015 0.000 1.077 1323 H CA 2.491 58.553 56.048 0.022 0.000 1.294 1323 H CB -0.681 29.086 29.762 0.009 0.000 1.371 1323 H HN 0.593 nan 8.280 nan 0.000 0.491 1324 E N -0.231 119.784 120.200 -0.310 0.000 2.130 1324 E HA -0.170 4.180 4.350 -0.000 0.000 0.196 1324 E C 2.437 178.923 176.600 -0.191 0.000 0.998 1324 E CA 1.490 57.692 56.400 -0.330 0.000 0.806 1324 E CB -0.080 29.544 29.700 -0.128 0.000 0.738 1324 E HN 0.337 nan 8.360 nan 0.000 0.459 1325 V N 0.848 120.705 119.914 -0.095 0.000 2.283 1325 V HA -0.205 3.915 4.120 -0.000 0.000 0.243 1325 V C 2.147 178.211 176.094 -0.051 0.000 1.039 1325 V CA 1.163 63.432 62.300 -0.052 0.000 1.016 1325 V CB -0.314 31.502 31.823 -0.013 0.000 0.650 1325 V HN 0.171 nan 8.190 nan 0.000 0.449 1326 L N 0.257 121.460 121.223 -0.034 0.000 2.017 1326 L HA -0.157 4.182 4.340 -0.000 0.000 0.208 1326 L C 2.358 179.206 176.870 -0.036 0.000 1.073 1326 L CA 1.893 56.725 54.840 -0.013 0.000 0.745 1326 L CB -1.240 40.838 42.059 0.031 0.000 0.894 1326 L HN 0.360 nan 8.230 nan 0.000 0.432 1327 K N -0.080 120.266 120.400 -0.090 0.000 1.987 1327 K HA -0.303 4.017 4.320 -0.000 0.000 0.216 1327 K C 2.104 178.653 176.600 -0.085 0.000 1.051 1327 K CA 2.054 58.274 56.287 -0.112 0.000 0.942 1327 K CB -0.175 32.137 32.500 -0.313 0.000 0.722 1327 K HN 0.196 nan 8.250 nan 0.000 0.444 1328 E N 0.997 121.134 120.200 -0.104 0.000 2.026 1328 E HA -0.224 4.126 4.350 -0.000 0.000 0.206 1328 E C 2.073 178.642 176.600 -0.052 0.000 1.028 1328 E CA 2.181 58.538 56.400 -0.073 0.000 0.845 1328 E CB -0.619 29.039 29.700 -0.071 0.000 0.772 1328 E HN 0.449 nan 8.360 nan 0.000 0.462 1329 L N -0.834 120.360 121.223 -0.048 0.000 2.012 1329 L HA -0.100 4.240 4.340 -0.000 0.000 0.210 1329 L C 2.318 179.168 176.870 -0.033 0.000 1.073 1329 L CA 1.177 55.992 54.840 -0.042 0.000 0.748 1329 L CB -1.102 40.933 42.059 -0.040 0.000 0.891 1329 L HN 0.608 nan 8.230 nan 0.000 0.431 1330 G N -0.207 108.577 108.800 -0.027 0.000 5.186 1330 G HA2 -0.444 3.515 3.960 -0.000 0.000 0.291 1330 G HA3 -0.444 3.515 3.960 -0.000 0.000 0.291 1330 G C 1.021 175.913 174.900 -0.012 0.000 1.394 1330 G CA 0.981 46.072 45.100 -0.016 0.000 1.121 1330 G HN 0.304 nan 8.290 nan 0.000 0.802 1331 T N 1.005 115.548 114.554 -0.017 0.000 3.308 1331 T HA 0.328 4.678 4.350 -0.000 0.000 0.255 1331 T C 0.958 175.646 174.700 -0.019 0.000 1.162 1331 T CA 1.676 63.767 62.100 -0.016 0.000 1.031 1331 T CB -0.033 68.823 68.868 -0.019 0.000 0.973 1331 T HN 0.429 nan 8.240 nan 0.000 0.544 1332 K N 1.393 121.780 120.400 -0.021 0.000 3.012 1332 K HA 0.188 4.508 4.320 -0.000 0.000 0.207 1332 K C 0.274 176.865 176.600 -0.015 0.000 1.130 1332 K CA -0.204 56.068 56.287 -0.024 0.000 1.021 1332 K CB 0.662 33.137 32.500 -0.042 0.000 0.736 1332 K HN 0.324 nan 8.250 nan 0.000 0.448 1333 D N -2.616 117.781 120.400 -0.006 0.000 2.151 1333 D HA -0.076 4.564 4.640 -0.000 0.000 0.260 1333 D C 0.607 176.914 176.300 0.011 0.000 1.358 1333 D CA -0.102 53.900 54.000 0.003 0.000 1.309 1333 D CB -0.176 40.625 40.800 0.003 0.000 2.149 1333 D HN -0.128 nan 8.370 nan 0.000 0.379 1334 D N 2.165 122.572 120.400 0.012 0.000 2.248 1334 D HA -0.195 4.445 4.640 -0.000 0.000 0.191 1334 D C 2.376 178.686 176.300 0.017 0.000 1.013 1334 D CA 2.563 56.573 54.000 0.017 0.000 0.883 1334 D CB -0.419 40.388 40.800 0.013 0.000 0.915 1334 D HN 0.528 nan 8.370 nan 0.000 0.448 1335 L N -1.571 119.660 121.223 0.013 0.000 2.141 1335 L HA -0.001 4.339 4.340 -0.000 0.000 0.209 1335 L C 1.839 178.720 176.870 0.019 0.000 1.094 1335 L CA 0.911 55.760 54.840 0.014 0.000 0.763 1335 L CB -0.529 41.536 42.059 0.011 0.000 0.908 1335 L HN 0.005 nan 8.230 nan 0.000 0.437 1336 L N 0.627 121.862 121.223 0.020 0.000 2.645 1336 L HA 0.168 4.508 4.340 -0.000 0.000 0.234 1336 L C 1.353 178.242 176.870 0.031 0.000 1.165 1336 L CA 0.603 55.457 54.840 0.023 0.000 0.944 1336 L CB -0.805 41.264 42.059 0.017 0.000 1.149 1336 L HN 0.172 nan 8.230 nan 0.000 0.446 1337 E N -0.121 120.100 120.200 0.035 0.000 2.352 1337 E HA -0.032 4.318 4.350 -0.000 0.000 0.197 1337 E C 1.785 178.418 176.600 0.054 0.000 1.224 1337 E CA 0.614 57.043 56.400 0.048 0.000 1.118 1337 E CB -0.366 29.361 29.700 0.044 0.000 1.198 1337 E HN 0.532 nan 8.360 nan 0.000 0.454 1338 V N -3.319 116.627 119.914 0.054 0.000 3.541 1338 V HA 0.236 4.356 4.120 -0.000 0.000 0.267 1338 V C 1.849 178.005 176.094 0.102 0.000 1.213 1338 V CA 0.829 63.165 62.300 0.059 0.000 1.149 1338 V CB 0.158 32.010 31.823 0.049 0.000 0.822 1338 V HN 0.150 nan 8.190 nan 0.000 0.462 1339 A N 0.801 123.691 122.820 0.117 0.000 1.872 1339 A HA -0.001 4.319 4.320 -0.000 0.000 0.214 1339 A C 2.212 179.967 177.584 0.284 0.000 1.187 1339 A CA 2.012 54.174 52.037 0.208 0.000 0.614 1339 A CB -0.517 18.542 19.000 0.098 0.000 0.826 1339 A HN 0.477 nan 8.150 nan 0.000 0.442 1340 M N -1.011 118.703 119.600 0.189 0.000 2.144 1340 M HA -0.217 4.263 4.480 -0.000 0.000 0.260 1340 M C 2.117 178.479 176.300 0.104 0.000 1.067 1340 M CA 2.013 57.407 55.300 0.156 0.000 1.095 1340 M CB -0.305 32.359 32.600 0.105 0.000 1.365 1340 M HN 0.466 nan 8.290 nan 0.000 0.406 1341 E N 0.699 120.946 120.200 0.078 0.000 2.107 1341 E HA -0.049 4.301 4.350 -0.000 0.000 0.191 1341 E C 1.813 178.412 176.600 -0.001 0.000 0.982 1341 E CA 1.013 57.425 56.400 0.021 0.000 0.809 1341 E CB -0.239 29.464 29.700 0.004 0.000 0.756 1341 E HN 0.457 nan 8.360 nan 0.000 0.459 1342 L N 0.408 121.680 121.223 0.082 0.000 2.046 1342 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 1342 L C 2.611 179.480 176.870 -0.001 0.000 1.077 1342 L CA 1.729 56.622 54.840 0.088 0.000 0.747 1342 L CB -0.412 41.874 42.059 0.378 0.000 0.896 1342 L HN 0.281 nan 8.230 nan 0.000 0.432 1343 E N 0.499 120.743 120.200 0.073 0.000 2.072 1343 E HA -0.275 4.075 4.350 -0.000 0.000 0.191 1343 E C 1.899 178.461 176.600 -0.062 0.000 0.985 1343 E CA 1.524 57.891 56.400 -0.056 0.000 0.801 1343 E CB 0.020 29.758 29.700 0.064 0.000 0.750 1343 E HN 0.390 nan 8.360 nan 0.000 0.452 1344 N N 0.529 119.205 118.700 -0.039 0.000 2.104 1344 N HA -0.170 4.570 4.740 -0.000 0.000 0.190 1344 N C 1.854 177.275 175.510 -0.149 0.000 1.024 1344 N CA 1.620 54.633 53.050 -0.061 0.000 0.853 1344 N CB -0.174 38.290 38.487 -0.039 0.000 1.008 1344 N HN 0.210 nan 8.380 nan 0.000 0.424 1345 I N 0.235 120.656 120.570 -0.249 0.000 2.127 1345 I HA -0.279 3.890 4.170 -0.000 0.000 0.241 1345 I C 2.280 178.017 176.117 -0.634 0.000 1.075 1345 I CA 1.310 62.342 61.300 -0.446 0.000 1.334 1345 I CB -0.555 37.086 38.000 -0.598 0.000 1.040 1345 I HN 0.260 nan 8.210 nan 0.000 0.405 1346 A N 0.547 122.950 122.820 -0.694 0.000 2.024 1346 A HA -0.141 4.178 4.320 -0.000 0.000 0.220 1346 A C 2.235 179.776 177.584 -0.072 0.000 1.164 1346 A CA 1.389 53.153 52.037 -0.456 0.000 0.643 1346 A CB -0.678 18.242 19.000 -0.134 0.000 0.806 1346 A HN 0.453 nan 8.150 nan 0.000 0.451 1347 L N -1.222 119.956 121.223 -0.075 0.000 2.307 1347 L HA 0.014 4.354 4.340 -0.000 0.000 0.211 1347 L C 1.501 178.372 176.870 0.001 0.000 1.099 1347 L CA 0.713 55.556 54.840 0.006 0.000 0.816 1347 L CB -0.228 41.836 42.059 0.008 0.000 0.952 1347 L HN 0.394 nan 8.230 nan 0.000 0.455 1348 N N -2.081 116.593 118.700 -0.043 0.000 2.239 1348 N HA -0.001 4.739 4.740 -0.000 0.000 0.208 1348 N C 0.193 175.697 175.510 -0.010 0.000 1.200 1348 N CA 0.003 53.041 53.050 -0.020 0.000 0.895 1348 N CB 0.721 39.191 38.487 -0.028 0.000 1.085 1348 N HN 0.132 nan 8.380 nan 0.000 0.500 1349 D N 2.947 123.318 120.400 -0.048 0.000 2.487 1349 D HA 0.023 4.663 4.640 -0.000 0.000 0.243 1349 D C -1.592 174.787 176.300 0.133 0.000 1.154 1349 D CA -1.200 52.812 54.000 0.019 0.000 0.876 1349 D CB 1.941 42.713 40.800 -0.047 0.000 1.161 1349 D HN 0.002 nan 8.370 nan 0.000 0.478 1350 P HA -0.136 nan 4.420 nan 0.000 0.220 1350 P C 0.976 178.358 177.300 0.137 0.000 1.148 1350 P CA 0.813 63.977 63.100 0.107 0.000 0.803 1350 P CB -0.007 31.741 31.700 0.081 0.000 0.782 1351 Y N -1.056 119.282 120.300 0.063 0.000 2.220 1351 Y HA -0.117 4.433 4.550 -0.000 0.000 0.291 1351 Y C 1.858 177.700 175.900 -0.096 0.000 1.129 1351 Y CA 1.462 59.550 58.100 -0.019 0.000 1.161 1351 Y CB -0.714 37.731 38.460 -0.026 0.000 0.997 1351 Y HN -0.189 nan 8.280 nan 0.000 0.522 1352 F N -0.178 119.808 119.950 0.061 0.000 2.234 1352 F HA -0.092 4.434 4.527 -0.000 0.000 0.296 1352 F C 2.198 177.965 175.800 -0.054 0.000 1.089 1352 F CA 1.140 59.109 58.000 -0.052 0.000 1.343 1352 F CB -0.666 38.275 39.000 -0.099 0.000 1.040 1352 F HN -0.014 nan 8.300 nan 0.000 0.498 1353 I N -0.574 120.095 120.570 0.166 0.000 2.394 1353 I HA -0.204 3.966 4.170 -0.000 0.000 0.251 1353 I C 2.532 178.668 176.117 0.031 0.000 1.136 1353 I CA 1.033 62.392 61.300 0.099 0.000 1.425 1353 I CB -0.359 37.689 38.000 0.080 0.000 1.079 1353 I HN 0.121 nan 8.210 nan 0.000 0.425 1354 E N 1.686 121.867 120.200 -0.032 0.000 2.015 1354 E HA -0.207 4.143 4.350 -0.000 0.000 0.191 1354 E C 1.808 178.320 176.600 -0.146 0.000 0.991 1354 E CA 1.450 57.787 56.400 -0.104 0.000 0.802 1354 E CB 0.087 29.677 29.700 -0.183 0.000 0.759 1354 E HN 0.201 nan 8.360 nan 0.000 0.447 1355 K N 0.785 121.028 120.400 -0.261 0.000 2.525 1355 K HA 0.016 4.336 4.320 -0.000 0.000 0.192 1355 K C 0.195 176.728 176.600 -0.111 0.000 1.029 1355 K CA 0.124 56.262 56.287 -0.248 0.000 1.029 1355 K CB 0.131 32.364 32.500 -0.444 0.000 0.814 1355 K HN 0.032 nan 8.250 nan 0.000 0.503 1356 K N -0.251 120.134 120.400 -0.025 0.000 3.160 1356 K HA -0.203 4.117 4.320 -0.000 0.000 0.280 1356 K C -0.574 176.050 176.600 0.040 0.000 1.154 1356 K CA 0.517 56.864 56.287 0.099 0.000 0.822 1356 K CB -2.441 30.142 32.500 0.137 0.000 1.239 1356 K HN 0.253 nan 8.250 nan 0.000 0.489 1357 L N 2.446 123.655 121.223 -0.022 0.000 2.511 1357 L HA 0.045 4.385 4.340 -0.000 0.000 0.239 1357 L C 0.788 177.773 176.870 0.192 0.000 1.400 1357 L CA -0.555 54.267 54.840 -0.029 0.000 1.226 1357 L CB -0.887 41.049 42.059 -0.206 0.000 1.475 1357 L HN 0.094 nan 8.230 nan 0.000 0.428 1358 Y N -0.012 120.451 120.300 0.273 0.000 2.326 1358 Y HA 0.499 5.049 4.550 -0.000 0.000 0.333 1358 Y C -2.446 173.616 175.900 0.270 0.000 1.240 1358 Y CA -4.134 54.125 58.100 0.265 0.000 1.365 1358 Y CB -0.646 37.936 38.460 0.203 0.000 1.289 1358 Y HN 0.111 nan 8.280 nan 0.000 0.548 1359 P HA 0.097 nan 4.420 nan 0.000 0.271 1359 P C -1.004 176.438 177.300 0.237 0.000 1.233 1359 P CA -0.028 63.015 63.100 -0.096 0.000 0.764 1359 P CB 0.472 31.877 31.700 -0.491 0.000 0.825 1360 N N 1.962 120.742 118.700 0.134 0.000 2.566 1360 N HA 0.103 4.843 4.740 -0.000 0.000 0.299 1360 N C 0.965 176.645 175.510 0.283 0.000 1.277 1360 N CA -0.762 52.470 53.050 0.303 0.000 0.965 1360 N CB -0.470 38.170 38.487 0.255 0.000 1.142 1360 N HN 0.028 nan 8.380 nan 0.000 0.596 1361 V N -0.331 119.715 119.914 0.221 0.000 2.469 1361 V HA -0.213 3.907 4.120 -0.000 0.000 0.251 1361 V C 0.719 176.889 176.094 0.128 0.000 1.064 1361 V CA 2.124 64.521 62.300 0.162 0.000 1.066 1361 V CB -0.838 30.942 31.823 -0.072 0.000 0.667 1361 V HN 0.589 nan 8.190 nan 0.000 0.461 1362 D N -1.076 119.362 120.400 0.064 0.000 2.317 1362 D HA -0.087 4.552 4.640 -0.000 0.000 0.211 1362 D C 1.668 177.980 176.300 0.020 0.000 0.966 1362 D CA 0.859 54.899 54.000 0.067 0.000 0.876 1362 D CB -0.077 40.776 40.800 0.089 0.000 0.927 1362 D HN 0.605 nan 8.370 nan 0.000 0.519 1363 F N 0.524 120.342 119.950 -0.221 0.000 2.098 1363 F HA -0.190 4.337 4.527 0.000 0.000 0.294 1363 F C 1.852 177.431 175.800 -0.368 0.000 1.107 1363 F CA 1.345 59.085 58.000 -0.435 0.000 1.234 1363 F CB -0.428 38.094 39.000 -0.796 0.000 1.002 1363 F HN -0.109 nan 8.300 nan 0.000 0.472 1364 Y N -0.093 120.240 120.300 0.054 0.000 2.314 1364 Y HA -0.128 4.422 4.550 -0.000 0.000 0.293 1364 Y C 2.735 178.585 175.900 -0.083 0.000 1.129 1364 Y CA 1.199 59.281 58.100 -0.030 0.000 1.201 1364 Y CB -0.921 37.604 38.460 0.109 0.000 0.999 1364 Y HN 0.013 nan 8.280 nan 0.000 0.541 1365 S N -0.095 115.657 115.700 0.086 0.000 2.355 1365 S HA -0.155 4.315 4.470 -0.000 0.000 0.222 1365 S C 2.429 176.949 174.600 -0.133 0.000 1.031 1365 S CA 1.180 59.416 58.200 0.061 0.000 0.993 1365 S CB -0.975 62.337 63.200 0.186 0.000 0.859 1365 S HN 0.659 nan 8.310 nan 0.000 0.453 1366 G N 1.699 110.352 108.800 -0.245 0.000 2.442 1366 G HA2 -0.173 3.786 3.960 -0.000 0.000 0.219 1366 G HA3 -0.173 3.786 3.960 -0.000 0.000 0.219 1366 G C 1.328 175.995 174.900 -0.387 0.000 1.141 1366 G CA 0.729 45.512 45.100 -0.529 0.000 0.763 1366 G HN 0.487 nan 8.290 nan 0.000 0.554 1367 I N 0.414 120.796 120.570 -0.312 0.000 2.226 1367 I HA -0.119 4.051 4.170 -0.000 0.000 0.245 1367 I C 2.599 178.650 176.117 -0.110 0.000 1.100 1367 I CA 0.788 61.957 61.300 -0.218 0.000 1.374 1367 I CB -0.157 37.691 38.000 -0.254 0.000 1.057 1367 I HN 0.156 nan 8.210 nan 0.000 0.413 1368 I N 0.377 120.895 120.570 -0.087 0.000 2.315 1368 I HA -0.267 3.903 4.170 -0.000 0.000 0.248 1368 I C 2.332 178.426 176.117 -0.039 0.000 1.117 1368 I CA 1.278 62.557 61.300 -0.034 0.000 1.404 1368 I CB -0.191 37.810 38.000 0.001 0.000 1.071 1368 I HN 0.202 nan 8.210 nan 0.000 0.419 1369 L N 0.270 121.420 121.223 -0.121 0.000 2.072 1369 L HA -0.139 4.201 4.340 -0.000 0.000 0.205 1369 L C 2.407 179.322 176.870 0.076 0.000 1.079 1369 L CA 1.252 56.046 54.840 -0.076 0.000 0.752 1369 L CB -0.536 41.284 42.059 -0.398 0.000 0.906 1369 L HN 0.130 nan 8.230 nan 0.000 0.436 1370 K N 0.242 120.677 120.400 0.058 0.000 2.211 1370 K HA -0.076 4.244 4.320 -0.000 0.000 0.203 1370 K C 2.139 178.777 176.600 0.062 0.000 1.050 1370 K CA 1.116 57.490 56.287 0.144 0.000 0.945 1370 K CB -0.094 32.477 32.500 0.118 0.000 0.732 1370 K HN 0.277 nan 8.250 nan 0.000 0.451 1371 A N 0.881 123.713 122.820 0.020 0.000 1.935 1371 A HA -0.026 4.294 4.320 -0.000 0.000 0.214 1371 A C 1.924 179.500 177.584 -0.015 0.000 1.178 1371 A CA 0.832 52.869 52.037 0.000 0.000 0.640 1371 A CB -0.222 18.773 19.000 -0.008 0.000 0.825 1371 A HN 0.146 nan 8.150 nan 0.000 0.447 1372 M N -0.967 118.634 119.600 0.002 0.000 2.619 1372 M HA 0.139 4.618 4.480 -0.000 0.000 0.251 1372 M C 1.260 177.484 176.300 -0.127 0.000 1.106 1372 M CA 0.891 56.172 55.300 -0.031 0.000 1.086 1372 M CB 0.116 32.756 32.600 0.067 0.000 1.465 1372 M HN 0.617 nan 8.290 nan 0.000 0.506 1373 G N 1.755 110.537 108.800 -0.030 0.000 2.130 1373 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.216 1373 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.216 1373 G C -0.065 174.930 174.900 0.158 0.000 0.999 1373 G CA -0.502 44.580 45.100 -0.029 0.000 0.686 1373 G HN 0.444 nan 8.290 nan 0.000 0.515 1374 I N 2.615 123.317 120.570 0.220 0.000 2.365 1374 I HA 0.317 4.487 4.170 -0.000 0.000 0.291 1374 I C -1.391 174.821 176.117 0.158 0.000 1.004 1374 I CA -2.341 59.072 61.300 0.190 0.000 1.311 1374 I CB 1.439 39.566 38.000 0.212 0.000 1.401 1374 I HN -0.048 nan 8.210 nan 0.000 0.491 1375 P HA 0.062 nan 4.420 nan 0.000 0.275 1375 P C 0.521 177.469 177.300 -0.587 0.000 1.228 1375 P CA -0.345 62.675 63.100 -0.133 0.000 0.786 1375 P CB 1.124 32.813 31.700 -0.017 0.000 0.927 1376 S N 0.906 116.091 115.700 -0.858 0.000 2.465 1376 S HA -0.145 4.324 4.470 -0.000 0.000 0.241 1376 S C 1.507 175.572 174.600 -0.891 0.000 1.000 1376 S CA 1.245 58.469 58.200 -1.627 0.000 0.964 1376 S CB -1.320 61.429 63.200 -0.751 0.000 0.763 1376 S HN 0.593 nan 8.310 nan 0.000 0.512 1377 S N -0.262 115.164 115.700 -0.456 0.000 2.701 1377 S HA 0.315 4.785 4.470 -0.000 0.000 0.220 1377 S C 1.150 175.557 174.600 -0.323 0.000 0.954 1377 S CA -0.199 57.834 58.200 -0.278 0.000 0.936 1377 S CB -0.184 62.850 63.200 -0.276 0.000 0.777 1377 S HN 0.370 nan 8.310 nan 0.000 0.518 1378 M N -0.287 119.125 119.600 -0.314 0.000 2.279 1378 M HA 0.417 4.897 4.480 -0.000 0.000 0.299 1378 M C 0.849 177.097 176.300 -0.087 0.000 0.970 1378 M CA -0.186 55.011 55.300 -0.172 0.000 1.065 1378 M CB -0.727 31.790 32.600 -0.137 0.000 1.669 1378 M HN 0.381 nan 8.290 nan 0.000 0.582 1379 F N 0.929 120.695 119.950 -0.308 0.000 2.046 1379 F HA -0.256 4.271 4.527 -0.000 0.000 0.297 1379 F C 2.118 177.341 175.800 -0.962 0.000 1.123 1379 F CA 1.291 58.915 58.000 -0.628 0.000 1.199 1379 F CB -0.636 38.073 39.000 -0.486 0.000 0.972 1379 F HN 0.112 nan 8.300 nan 0.000 0.474 1380 T N -0.285 114.086 114.554 -0.305 0.000 2.962 1380 T HA -0.083 4.267 4.350 -0.000 0.000 0.270 1380 T C 1.924 176.550 174.700 -0.124 0.000 1.088 1380 T CA 0.552 62.547 62.100 -0.176 0.000 1.127 1380 T CB -0.288 68.626 68.868 0.077 0.000 0.883 1380 T HN 0.026 nan 8.240 nan 0.000 0.493 1381 V N 1.263 121.082 119.914 -0.157 0.000 2.358 1381 V HA -0.075 4.045 4.120 -0.000 0.000 0.246 1381 V C 2.318 178.341 176.094 -0.118 0.000 1.047 1381 V CA 1.299 63.528 62.300 -0.118 0.000 1.035 1381 V CB -0.433 31.320 31.823 -0.118 0.000 0.658 1381 V HN 0.494 nan 8.190 nan 0.000 0.452 1382 I N -0.872 119.586 120.570 -0.186 0.000 2.252 1382 I HA -0.229 3.941 4.170 -0.000 0.000 0.245 1382 I C 2.317 178.368 176.117 -0.109 0.000 1.102 1382 I CA 1.802 62.981 61.300 -0.202 0.000 1.385 1382 I CB -0.376 37.511 38.000 -0.189 0.000 1.064 1382 I HN 0.249 nan 8.210 nan 0.000 0.414 1383 F N 0.799 120.621 119.950 -0.213 0.000 2.134 1383 F HA -0.239 4.288 4.527 -0.000 0.000 0.299 1383 F C 2.733 178.419 175.800 -0.190 0.000 1.097 1383 F CA 0.551 58.388 58.000 -0.272 0.000 1.264 1383 F CB -0.397 38.484 39.000 -0.199 0.000 1.001 1383 F HN 0.068 nan 8.300 nan 0.000 0.479 1384 A N 0.345 123.210 122.820 0.076 0.000 1.902 1384 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 1384 A C 2.177 179.705 177.584 -0.093 0.000 1.181 1384 A CA 1.598 53.641 52.037 0.010 0.000 0.623 1384 A CB -0.853 18.263 19.000 0.194 0.000 0.818 1384 A HN 0.469 nan 8.150 nan 0.000 0.443 1385 M N -0.259 119.303 119.600 -0.065 0.000 2.108 1385 M HA -0.182 4.298 4.480 -0.000 0.000 0.261 1385 M C 2.198 178.447 176.300 -0.086 0.000 1.066 1385 M CA 1.966 57.220 55.300 -0.078 0.000 1.107 1385 M CB -0.243 32.246 32.600 -0.184 0.000 1.356 1385 M HN 0.406 nan 8.290 nan 0.000 0.406 1386 A N 0.010 122.740 122.820 -0.149 0.000 1.929 1386 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 1386 A C 2.025 179.568 177.584 -0.067 0.000 1.176 1386 A CA 1.622 53.570 52.037 -0.148 0.000 0.628 1386 A CB -0.561 18.326 19.000 -0.188 0.000 0.816 1386 A HN 0.551 nan 8.150 nan 0.000 0.444 1387 R N -0.014 120.328 120.500 -0.262 0.000 2.235 1387 R HA -0.004 4.336 4.340 -0.000 0.000 0.213 1387 R C 1.737 177.608 176.300 -0.716 0.000 1.059 1387 R CA 1.728 57.498 56.100 -0.551 0.000 0.997 1387 R CB -1.284 28.497 30.300 -0.865 0.000 0.884 1387 R HN 0.442 nan 8.270 nan 0.000 0.462 1388 T N -0.453 113.866 114.554 -0.391 0.000 2.720 1388 T HA -0.168 4.182 4.350 -0.000 0.000 0.268 1388 T C 1.722 176.454 174.700 0.053 0.000 1.037 1388 T CA 1.554 63.641 62.100 -0.021 0.000 1.144 1388 T CB -0.455 68.498 68.868 0.141 0.000 0.864 1388 T HN 0.138 nan 8.240 nan 0.000 0.444 1389 V N 1.360 121.282 119.914 0.014 0.000 2.407 1389 V HA -0.095 4.025 4.120 -0.000 0.000 0.248 1389 V C 2.512 178.610 176.094 0.007 0.000 1.055 1389 V CA 2.357 64.655 62.300 -0.003 0.000 1.049 1389 V CB -1.085 30.684 31.823 -0.090 0.000 0.662 1389 V HN 0.580 nan 8.190 nan 0.000 0.455 1390 G N -1.205 107.577 108.800 -0.029 0.000 2.421 1390 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.216 1390 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.216 1390 G C 1.335 176.411 174.900 0.292 0.000 1.171 1390 G CA 0.898 46.035 45.100 0.061 0.000 0.775 1390 G HN 0.583 nan 8.290 nan 0.000 0.543 1391 W N 0.893 122.301 121.300 0.180 0.000 2.342 1391 W HA 0.050 4.710 4.660 -0.000 0.000 0.297 1391 W C 2.516 179.144 176.519 0.181 0.000 1.213 1391 W CA 0.230 57.679 57.345 0.172 0.000 1.251 1391 W CB -0.956 28.557 29.460 0.089 0.000 1.136 1391 W HN 0.198 nan 8.180 nan 0.000 0.526 1392 I N 0.152 120.923 120.570 0.335 0.000 2.252 1392 I HA -0.270 3.900 4.170 -0.000 0.000 0.245 1392 I C 2.575 178.844 176.117 0.252 0.000 1.102 1392 I CA 1.479 62.923 61.300 0.241 0.000 1.385 1392 I CB -0.898 37.167 38.000 0.107 0.000 1.064 1392 I HN -0.172 nan 8.210 nan 0.000 0.414 1393 A N 0.140 123.046 122.820 0.143 0.000 1.902 1393 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 1393 A C 2.228 179.819 177.584 0.011 0.000 1.181 1393 A CA 1.529 53.577 52.037 0.019 0.000 0.623 1393 A CB -0.900 18.038 19.000 -0.102 0.000 0.818 1393 A HN 0.420 nan 8.150 nan 0.000 0.443 1394 H N -2.903 116.268 119.070 0.169 0.000 2.357 1394 H HA -0.164 4.392 4.556 -0.000 0.000 0.301 1394 H C 1.970 177.396 175.328 0.163 0.000 1.082 1394 H CA 1.724 57.864 56.048 0.152 0.000 1.342 1394 H CB -0.373 29.502 29.762 0.188 0.000 1.389 1394 H HN 0.804 nan 8.280 nan 0.000 0.511 1395 W N 2.146 123.535 121.300 0.149 0.000 2.355 1395 W HA -0.201 4.458 4.660 -0.000 0.000 0.309 1395 W C 2.593 179.139 176.519 0.044 0.000 1.206 1395 W CA 1.941 59.321 57.345 0.057 0.000 1.284 1395 W CB -0.285 29.219 29.460 0.074 0.000 1.145 1395 W HN -0.056 nan 8.180 nan 0.000 0.502 1396 S N -0.007 115.811 115.700 0.197 0.000 2.356 1396 S HA -0.278 4.192 4.470 -0.000 0.000 0.223 1396 S C 1.685 176.242 174.600 -0.071 0.000 1.032 1396 S CA 1.644 59.850 58.200 0.011 0.000 1.005 1396 S CB -0.693 62.565 63.200 0.097 0.000 0.867 1396 S HN 0.463 nan 8.310 nan 0.000 0.449 1397 E N 0.955 121.128 120.200 -0.044 0.000 2.038 1397 E HA -0.201 4.149 4.350 -0.000 0.000 0.195 1397 E C 2.156 178.702 176.600 -0.090 0.000 1.000 1397 E CA 1.137 57.499 56.400 -0.064 0.000 0.803 1397 E CB -0.197 29.465 29.700 -0.063 0.000 0.750 1397 E HN 0.330 nan 8.360 nan 0.000 0.448 1398 M N 0.436 119.962 119.600 -0.123 0.000 2.144 1398 M HA -0.208 4.272 4.480 -0.000 0.000 0.260 1398 M C 1.582 177.721 176.300 -0.268 0.000 1.067 1398 M CA 1.745 56.927 55.300 -0.196 0.000 1.095 1398 M CB -0.623 31.828 32.600 -0.249 0.000 1.365 1398 M HN 0.242 nan 8.290 nan 0.000 0.406 1399 H N -0.365 118.521 119.070 -0.307 0.000 2.547 1399 H HA 0.078 4.634 4.556 -0.000 0.000 0.272 1399 H C 2.240 177.444 175.328 -0.206 0.000 0.989 1399 H CA 1.435 57.286 56.048 -0.330 0.000 1.214 1399 H CB -0.052 29.387 29.762 -0.538 0.000 1.389 1399 H HN 0.577 nan 8.280 nan 0.000 0.577 1400 S N -0.368 115.302 115.700 -0.051 0.000 2.458 1400 S HA -0.057 4.413 4.470 -0.000 0.000 0.223 1400 S C 1.229 175.802 174.600 -0.044 0.000 1.019 1400 S CA 0.480 58.652 58.200 -0.046 0.000 0.937 1400 S CB 0.223 63.393 63.200 -0.049 0.000 0.788 1400 S HN 0.086 nan 8.310 nan 0.000 0.511 1401 D N 1.867 122.235 120.400 -0.054 0.000 2.363 1401 D HA 0.265 4.905 4.640 -0.000 0.000 0.226 1401 D C 1.159 177.434 176.300 -0.043 0.000 1.020 1401 D CA 0.879 54.850 54.000 -0.049 0.000 0.892 1401 D CB -0.131 40.634 40.800 -0.057 0.000 0.900 1401 D HN 0.656 nan 8.370 nan 0.000 0.531 1402 G N 1.518 110.297 108.800 -0.035 0.000 2.356 1402 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.233 1402 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.233 1402 G C 0.410 175.302 174.900 -0.014 0.000 1.105 1402 G CA 0.037 45.126 45.100 -0.018 0.000 0.861 1402 G HN 0.299 nan 8.290 nan 0.000 0.493 1403 M N -0.845 118.749 119.600 -0.010 0.000 2.787 1403 M HA -0.176 4.304 4.480 -0.000 0.000 0.176 1403 M C 0.826 177.071 176.300 -0.092 0.000 1.139 1403 M CA 1.567 56.822 55.300 -0.075 0.000 0.681 1403 M CB -0.393 32.261 32.600 0.090 0.000 1.180 1403 M HN 0.656 nan 8.290 nan 0.000 0.788 1404 K N 3.466 123.797 120.400 -0.114 0.000 2.320 1404 K HA 0.037 4.357 4.320 -0.000 0.000 0.273 1404 K C -0.391 176.165 176.600 -0.073 0.000 1.146 1404 K CA 0.059 56.298 56.287 -0.081 0.000 1.144 1404 K CB -0.078 32.371 32.500 -0.085 0.000 0.878 1404 K HN 0.649 nan 8.250 nan 0.000 0.458 1405 I N 4.608 125.152 120.570 -0.042 0.000 2.453 1405 I HA -0.032 4.138 4.170 -0.000 0.000 0.300 1405 I C 0.706 176.811 176.117 -0.020 0.000 1.159 1405 I CA -0.211 61.075 61.300 -0.024 0.000 1.379 1405 I CB 0.105 38.102 38.000 -0.005 0.000 1.460 1405 I HN 0.537 nan 8.210 nan 0.000 0.601 1406 A N 7.754 130.558 122.820 -0.026 0.000 2.770 1406 A HA 0.195 4.515 4.320 -0.000 0.000 0.292 1406 A C 0.584 178.173 177.584 0.007 0.000 1.604 1406 A CA -0.033 51.990 52.037 -0.023 0.000 1.271 1406 A CB -0.465 18.517 19.000 -0.030 0.000 1.075 1406 A HN 0.749 nan 8.150 nan 0.000 0.573 1407 R N 2.864 123.372 120.500 0.014 0.000 2.564 1407 R HA 0.285 4.624 4.340 -0.000 0.000 0.282 1407 R C -2.536 173.792 176.300 0.048 0.000 1.573 1407 R CA -1.198 54.922 56.100 0.033 0.000 1.588 1407 R CB 0.762 31.078 30.300 0.027 0.000 1.154 1407 R HN 0.513 nan 8.270 nan 0.000 0.606 1408 P HA 0.129 nan 4.420 nan 0.000 0.271 1408 P C -0.200 177.149 177.300 0.083 0.000 1.244 1408 P CA -0.429 62.734 63.100 0.106 0.000 0.793 1408 P CB 0.725 32.539 31.700 0.191 0.000 0.984 1409 R N 0.462 121.014 120.500 0.086 0.000 2.691 1409 R HA 0.413 4.753 4.340 -0.000 0.000 0.259 1409 R C 0.101 176.442 176.300 0.068 0.000 1.048 1409 R CA -0.609 55.516 56.100 0.042 0.000 1.086 1409 R CB 1.074 31.362 30.300 -0.019 0.000 1.166 1409 R HN 0.660 nan 8.270 nan 0.000 0.526 1410 Q N 0.015 119.844 119.800 0.049 0.000 2.399 1410 Q HA 0.615 4.955 4.340 -0.000 0.000 0.276 1410 Q C -1.172 174.881 176.000 0.089 0.000 1.098 1410 Q CA -1.044 54.816 55.803 0.095 0.000 0.827 1410 Q CB 1.782 30.575 28.738 0.092 0.000 1.386 1410 Q HN 0.282 nan 8.270 nan 0.000 0.443 1411 L N 2.238 123.536 121.223 0.126 0.000 2.276 1411 L HA 0.401 4.741 4.340 -0.000 0.000 0.286 1411 L C -1.718 175.182 176.870 0.050 0.000 1.024 1411 L CA -0.614 54.247 54.840 0.035 0.000 0.826 1411 L CB 0.902 42.891 42.059 -0.116 0.000 1.211 1411 L HN 0.733 nan 8.230 nan 0.000 0.422 1412 Y N 3.706 123.977 120.300 -0.049 0.000 2.393 1412 Y HA 0.375 4.925 4.550 -0.000 0.000 0.338 1412 Y C 0.886 176.756 175.900 -0.050 0.000 1.029 1412 Y CA 0.512 58.591 58.100 -0.036 0.000 1.239 1412 Y CB 0.999 39.442 38.460 -0.028 0.000 1.170 1412 Y HN 0.780 nan 8.280 nan 0.000 0.515 1413 T N 1.761 115.955 114.554 -0.600 0.000 3.252 1413 T HA 0.430 4.779 4.350 -0.000 0.000 0.286 1413 T C 0.587 174.902 174.700 -0.642 0.000 1.013 1413 T CA -0.038 61.780 62.100 -0.470 0.000 0.914 1413 T CB -0.324 68.380 68.868 -0.274 0.000 1.131 1413 T HN 0.725 nan 8.240 nan 0.000 0.529 1414 G N 0.276 108.295 108.800 -1.301 0.000 2.532 1414 G HA2 0.516 4.476 3.960 -0.000 0.000 0.291 1414 G HA3 0.516 4.476 3.960 -0.000 0.000 0.291 1414 G C -0.841 173.909 174.900 -0.249 0.000 1.349 1414 G CA -1.030 43.615 45.100 -0.758 0.000 1.038 1414 G HN 0.335 nan 8.290 nan 0.000 0.518 1415 Y N 0.361 120.678 120.300 0.028 0.000 2.805 1415 Y HA 0.126 4.676 4.550 -0.000 0.000 0.337 1415 Y C 1.236 177.276 175.900 0.233 0.000 1.252 1415 Y CA 0.543 58.712 58.100 0.115 0.000 1.515 1415 Y CB 0.424 38.946 38.460 0.102 0.000 1.305 1415 Y HN 0.425 nan 8.280 nan 0.000 0.600 1416 E N 1.894 122.297 120.200 0.338 0.000 2.351 1416 E HA 0.120 4.470 4.350 -0.000 0.000 0.255 1416 E C -0.248 176.463 176.600 0.185 0.000 1.188 1416 E CA -0.836 55.703 56.400 0.232 0.000 0.940 1416 E CB 0.296 30.086 29.700 0.151 0.000 1.094 1416 E HN 0.226 nan 8.360 nan 0.000 0.474 1417 K N 1.815 122.275 120.400 0.101 0.000 2.524 1417 K HA -0.047 4.273 4.320 -0.000 0.000 0.279 1417 K C -0.636 176.001 176.600 0.062 0.000 0.993 1417 K CA 0.420 56.745 56.287 0.064 0.000 1.030 1417 K CB 0.133 32.652 32.500 0.031 0.000 0.891 1417 K HN 0.653 nan 8.250 nan 0.000 0.488 1418 R N 1.944 122.467 120.500 0.038 0.000 2.626 1418 R HA 0.345 4.685 4.340 -0.000 0.000 0.274 1418 R C -1.160 175.150 176.300 0.016 0.000 1.031 1418 R CA -0.993 55.113 56.100 0.010 0.000 0.898 1418 R CB 0.866 31.137 30.300 -0.049 0.000 1.222 1418 R HN 0.329 nan 8.270 nan 0.000 0.455 1419 D N 1.865 122.273 120.400 0.013 0.000 2.414 1419 D HA 0.062 4.702 4.640 -0.000 0.000 0.242 1419 D C -0.921 175.411 176.300 0.053 0.000 1.129 1419 D CA 0.314 54.335 54.000 0.034 0.000 0.885 1419 D CB 0.689 41.492 40.800 0.006 0.000 1.198 1419 D HN 0.371 nan 8.370 nan 0.000 0.437 1420 F N 2.240 122.164 119.950 -0.042 0.000 2.405 1420 F HA 0.301 4.828 4.527 -0.000 0.000 0.355 1420 F C -0.099 175.681 175.800 -0.034 0.000 1.121 1420 F CA -0.799 57.174 58.000 -0.044 0.000 1.112 1420 F CB 0.807 39.785 39.000 -0.037 0.000 1.126 1420 F HN -0.038 nan 8.300 nan 0.000 0.481 1421 K N 5.037 124.929 120.400 -0.847 0.000 2.604 1421 K HA 0.288 4.608 4.320 -0.000 0.000 0.247 1421 K C -1.001 175.091 176.600 -0.845 0.000 0.956 1421 K CA -0.447 55.439 56.287 -0.669 0.000 0.896 1421 K CB 1.530 33.842 32.500 -0.313 0.000 1.131 1421 K HN 0.524 nan 8.250 nan 0.000 0.440 1422 S N 2.851 118.035 115.700 -0.860 0.000 2.549 1422 S HA 0.103 4.573 4.470 -0.000 0.000 0.279 1422 S C 0.110 174.579 174.600 -0.217 0.000 1.321 1422 S CA -0.227 57.688 58.200 -0.474 0.000 1.054 1422 S CB 0.412 63.531 63.200 -0.135 0.000 0.899 1422 S HN 0.625 nan 8.310 nan 0.000 0.497 1423 D N 2.652 122.971 120.400 -0.134 0.000 2.367 1423 D HA 0.162 4.802 4.640 -0.000 0.000 0.207 1423 D C 0.939 177.215 176.300 -0.039 0.000 1.034 1423 D CA 0.187 54.139 54.000 -0.080 0.000 0.861 1423 D CB -0.028 40.735 40.800 -0.062 0.000 0.943 1423 D HN 0.700 nan 8.370 nan 0.000 0.515 1424 I N -2.159 118.400 120.570 -0.018 0.000 3.502 1424 I HA 0.381 4.550 4.170 -0.000 0.000 0.302 1424 I C 0.185 176.307 176.117 0.009 0.000 1.170 1424 I CA -0.498 60.805 61.300 0.005 0.000 0.953 1424 I CB 1.314 39.331 38.000 0.028 0.000 1.475 1424 I HN -0.410 nan 8.210 nan 0.000 0.657 1425 K N 0.745 121.154 120.400 0.014 0.000 2.056 1425 K HA 0.466 4.785 4.320 -0.000 0.000 0.252 1425 K C -0.844 175.766 176.600 0.018 0.000 0.900 1425 K CA -0.931 55.365 56.287 0.015 0.000 0.763 1425 K CB 0.726 33.230 32.500 0.007 0.000 1.558 1425 K HN 0.849 nan 8.250 nan 0.000 0.448 1426 R N 0.000 120.508 120.500 0.013 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 0.013 0.000 0.921 1426 R CB 0.000 30.307 30.300 0.011 0.000 0.687 1426 R HN 0.000 nan 8.270 nan 0.000 0.535