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 2j4u_1_W DATA FIRST_RESID 1001 DATA SEQUENCE AEVYNKDGNK LDLYGKVDGL HYFSDNKDVD GDQTYMRLGF KGETQVTDQL DATA SEQUENCE TGYGQWEYQI QGNSAENENN SWTRVAFAGL KFQDVGSFDY GRNYGVVYDV DATA SEQUENCE TSWTDVLPEF GGDTYGSDNF MQQRGNGFAT YRNTDFFGLV DGLNFAVQYQ DATA SEQUENCE GKNGNPSGEG FTSGVTNNGR DXXXXXXXXX GGSITYDYEG FGIGGAISSS DATA SEQUENCE KRTDAQNTAA YIGNGDRAET YTGGLKYDAN NIYLAAQYTQ TYNATRVGSL DATA SEQUENCE GWANKAQNFE AVAQYQFDFG LRPSLAYLQS KGKNLGRGYD DEDILKYVDV DATA SEQUENCE GATYYFNKNM STYVDYKINL LDDNQFTRDA GINTDNIVAL GLVYQF 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 0.000 177.708 177.584 0.207 0.000 1.274 1001 A CA 0.000 52.184 52.037 0.244 0.000 0.836 1001 A CB 0.000 19.207 19.000 0.345 0.000 0.831 1002 E N 2.388 122.670 120.200 0.136 0.000 2.413 1002 E HA 0.191 4.541 4.350 -0.000 0.000 0.277 1002 E C 0.874 177.549 176.600 0.125 0.000 1.114 1002 E CA 0.587 57.058 56.400 0.118 0.000 1.111 1002 E CB -0.944 28.799 29.700 0.072 0.000 1.066 1002 E HN 1.153 nan 8.360 nan 0.000 0.454 1003 V N 1.874 121.884 119.914 0.160 0.000 2.306 1003 V HA -0.103 4.017 4.120 -0.000 0.000 0.123 1003 V C 1.146 177.335 176.094 0.159 0.000 0.760 1003 V CA 0.317 62.709 62.300 0.153 0.000 1.372 1003 V CB -0.956 30.968 31.823 0.168 0.000 0.833 1003 V HN 0.545 nan 8.190 nan 0.000 0.401 1004 Y N 2.895 123.220 120.300 0.041 0.000 3.142 1004 Y HA 0.048 4.598 4.550 -0.000 0.000 0.347 1004 Y C 0.628 176.547 175.900 0.031 0.000 1.269 1004 Y CA 1.837 59.952 58.100 0.026 0.000 1.560 1004 Y CB -0.120 38.346 38.460 0.010 0.000 1.220 1004 Y HN 0.858 nan 8.280 nan 0.000 0.626 1005 N N 4.724 123.283 118.700 -0.235 0.000 3.153 1005 N HA 0.129 4.868 4.740 -0.000 0.000 0.208 1005 N C -2.025 173.304 175.510 -0.302 0.000 1.462 1005 N CA -0.615 52.349 53.050 -0.143 0.000 0.754 1005 N CB 0.366 38.829 38.487 -0.040 0.000 1.558 1005 N HN 0.668 nan 8.380 nan 0.000 0.605 1006 K N 1.679 121.848 120.400 -0.384 0.000 2.482 1006 K HA 0.282 4.602 4.320 -0.000 0.000 0.251 1006 K C -1.160 175.405 176.600 -0.059 0.000 0.936 1006 K CA -0.522 55.577 56.287 -0.314 0.000 0.791 1006 K CB 1.029 33.147 32.500 -0.637 0.000 1.213 1006 K HN 0.460 nan 8.250 nan 0.000 0.428 1007 D N 3.391 123.773 120.400 -0.030 0.000 3.688 1007 D HA -0.249 4.391 4.640 -0.000 0.000 0.214 1007 D C 0.574 176.903 176.300 0.049 0.000 1.071 1007 D CA 1.545 55.556 54.000 0.018 0.000 1.124 1007 D CB -1.236 39.581 40.800 0.028 0.000 0.760 1007 D HN 0.908 nan 8.370 nan 0.000 0.383 1008 G N 3.487 112.311 108.800 0.040 0.000 5.431 1008 G HA2 -0.456 3.504 3.960 -0.000 0.000 0.322 1008 G HA3 -0.456 3.504 3.960 -0.000 0.000 0.322 1008 G C 0.297 175.239 174.900 0.069 0.000 1.370 1008 G CA 0.528 45.659 45.100 0.051 0.000 0.963 1008 G HN 1.025 nan 8.290 nan 0.000 0.797 1009 N N 2.157 120.915 118.700 0.096 0.000 2.359 1009 N HA 0.267 5.007 4.740 -0.000 0.000 0.261 1009 N C -0.274 175.343 175.510 0.179 0.000 1.267 1009 N CA 1.457 54.587 53.050 0.134 0.000 0.864 1009 N CB 0.127 38.700 38.487 0.144 0.000 1.063 1009 N HN 0.791 nan 8.380 nan 0.000 0.474 1010 K N 2.966 123.461 120.400 0.158 0.000 2.525 1010 K HA 0.434 4.754 4.320 -0.000 0.000 0.254 1010 K C -1.167 175.534 176.600 0.168 0.000 0.934 1010 K CA -0.694 55.696 56.287 0.171 0.000 0.802 1010 K CB 1.550 34.113 32.500 0.105 0.000 1.295 1010 K HN 0.259 nan 8.250 nan 0.000 0.433 1011 L N 2.005 123.344 121.223 0.193 0.000 2.325 1011 L HA 0.493 4.833 4.340 -0.000 0.000 0.278 1011 L C -1.077 175.907 176.870 0.189 0.000 1.023 1011 L CA -0.590 54.355 54.840 0.176 0.000 0.811 1011 L CB 1.777 43.933 42.059 0.162 0.000 1.249 1011 L HN 0.880 nan 8.230 nan 0.000 0.431 1012 D N 4.432 124.971 120.400 0.231 0.000 2.389 1012 D HA 0.182 4.822 4.640 -0.000 0.000 0.256 1012 D C -1.004 175.504 176.300 0.347 0.000 1.239 1012 D CA -0.392 53.757 54.000 0.250 0.000 0.925 1012 D CB 1.052 41.972 40.800 0.200 0.000 1.145 1012 D HN 0.165 nan 8.370 nan 0.000 0.542 1013 L N 5.151 126.563 121.223 0.315 0.000 2.360 1013 L HA 0.347 4.687 4.340 -0.000 0.000 0.276 1013 L C -0.988 176.082 176.870 0.334 0.000 1.121 1013 L CA -0.102 54.935 54.840 0.329 0.000 0.845 1013 L CB 0.007 42.263 42.059 0.329 0.000 1.143 1013 L HN 0.528 nan 8.230 nan 0.000 0.452 1014 Y N 3.069 123.372 120.300 0.005 0.000 2.625 1014 Y HA 0.866 5.416 4.550 -0.000 0.000 0.338 1014 Y C -0.354 174.907 175.900 -1.065 0.000 1.123 1014 Y CA -0.456 57.275 58.100 -0.616 0.000 1.046 1014 Y CB 1.751 40.003 38.460 -0.347 0.000 1.299 1014 Y HN 0.723 nan 8.280 nan 0.000 0.464 1015 G N 1.218 109.096 108.800 -1.536 0.000 2.320 1015 G HA2 0.513 4.473 3.960 -0.000 0.000 0.296 1015 G HA3 0.513 4.473 3.960 -0.000 0.000 0.296 1015 G C -2.286 172.373 174.900 -0.402 0.000 1.306 1015 G CA -0.841 43.801 45.100 -0.764 0.000 0.836 1015 G HN 1.107 nan 8.290 nan 0.000 0.517 1016 K N -1.890 118.532 120.400 0.036 0.000 2.587 1016 K HA 0.764 5.083 4.320 -0.000 0.000 0.276 1016 K C -1.627 175.041 176.600 0.113 0.000 0.956 1016 K CA -0.939 55.432 56.287 0.140 0.000 0.857 1016 K CB 2.003 34.509 32.500 0.011 0.000 1.431 1016 K HN 0.701 nan 8.250 nan 0.000 0.420 1017 V N 1.073 121.081 119.914 0.157 0.000 2.680 1017 V HA 0.504 4.623 4.120 -0.000 0.000 0.309 1017 V C -1.273 174.781 176.094 -0.066 0.000 1.052 1017 V CA -0.458 61.839 62.300 -0.006 0.000 0.908 1017 V CB 1.849 33.691 31.823 0.032 0.000 1.001 1017 V HN 0.906 nan 8.190 nan 0.000 0.431 1018 D N 2.883 123.132 120.400 -0.251 0.000 2.473 1018 D HA 0.412 5.052 4.640 -0.000 0.000 0.253 1018 D C 0.057 176.296 176.300 -0.101 0.000 1.233 1018 D CA -0.174 53.698 54.000 -0.213 0.000 0.908 1018 D CB 1.854 42.330 40.800 -0.540 0.000 1.170 1018 D HN 0.711 nan 8.370 nan 0.000 0.558 1019 G N 3.842 112.638 108.800 -0.007 0.000 2.393 1019 G HA2 0.497 4.456 3.960 -0.000 0.000 0.311 1019 G HA3 0.497 4.456 3.960 -0.000 0.000 0.311 1019 G C -0.544 174.381 174.900 0.042 0.000 1.067 1019 G CA -0.383 44.724 45.100 0.011 0.000 1.000 1019 G HN 0.443 nan 8.290 nan 0.000 0.422 1020 L N 2.965 124.234 121.223 0.075 0.000 2.431 1020 L HA 0.669 5.009 4.340 -0.000 0.000 0.266 1020 L C -1.790 175.145 176.870 0.110 0.000 0.978 1020 L CA -0.876 54.044 54.840 0.133 0.000 0.822 1020 L CB 2.627 44.826 42.059 0.232 0.000 1.310 1020 L HN 0.692 nan 8.230 nan 0.000 0.409 1021 H N 2.962 122.054 119.070 0.036 0.000 2.851 1021 H HA 0.592 5.148 4.556 -0.000 0.000 0.372 1021 H C -1.829 173.586 175.328 0.145 0.000 1.158 1021 H CA -0.317 55.691 56.048 -0.066 0.000 1.159 1021 H CB 2.010 31.654 29.762 -0.196 0.000 1.757 1021 H HN 0.446 nan 8.280 nan 0.000 0.546 1022 Y N 3.464 123.459 120.300 -0.508 0.000 2.350 1022 Y HA 0.326 4.876 4.550 -0.000 0.000 0.338 1022 Y C -1.205 174.491 175.900 -0.339 0.000 0.961 1022 Y CA -1.300 56.666 58.100 -0.223 0.000 1.100 1022 Y CB 0.764 39.134 38.460 -0.150 0.000 1.179 1022 Y HN 0.470 nan 8.280 nan 0.000 0.454 1023 F N 1.574 121.687 119.950 0.272 0.000 2.458 1023 F HA 0.675 5.202 4.527 -0.000 0.000 0.336 1023 F C 0.372 176.236 175.800 0.108 0.000 1.114 1023 F CA -0.716 57.398 58.000 0.190 0.000 0.987 1023 F CB 2.113 41.206 39.000 0.155 0.000 1.130 1023 F HN 0.286 nan 8.300 nan 0.000 0.458 1024 S N 1.137 116.979 115.700 0.238 0.000 2.542 1024 S HA 0.184 4.654 4.470 -0.000 0.000 0.276 1024 S C -0.069 174.596 174.600 0.108 0.000 1.148 1024 S CA -0.705 57.578 58.200 0.138 0.000 0.886 1024 S CB 1.255 64.517 63.200 0.103 0.000 1.109 1024 S HN 0.656 nan 8.310 nan 0.000 0.458 1025 D N 1.745 122.191 120.400 0.078 0.000 2.265 1025 D HA -0.064 4.576 4.640 -0.000 0.000 0.208 1025 D C 0.631 176.959 176.300 0.047 0.000 0.977 1025 D CA 0.915 54.951 54.000 0.060 0.000 0.871 1025 D CB -0.065 40.762 40.800 0.045 0.000 0.925 1025 D HN 0.479 nan 8.370 nan 0.000 0.485 1026 N N 1.567 120.292 118.700 0.041 0.000 2.549 1026 N HA -0.053 4.687 4.740 -0.000 0.000 0.267 1026 N C 0.076 175.607 175.510 0.034 0.000 1.182 1026 N CA 0.086 53.153 53.050 0.029 0.000 1.019 1026 N CB 0.087 38.584 38.487 0.015 0.000 1.380 1026 N HN 0.008 nan 8.380 nan 0.000 0.505 1027 K N 1.582 121.999 120.400 0.028 0.000 2.773 1027 K HA -0.073 4.247 4.320 -0.000 0.000 0.222 1027 K C -0.249 176.357 176.600 0.010 0.000 0.985 1027 K CA 0.359 56.660 56.287 0.023 0.000 1.126 1027 K CB 0.349 32.864 32.500 0.025 0.000 0.919 1027 K HN 0.444 nan 8.250 nan 0.000 0.487 1028 D N -1.005 119.402 120.400 0.012 0.000 2.486 1028 D HA -0.052 4.588 4.640 -0.000 0.000 0.243 1028 D C 1.143 177.447 176.300 0.007 0.000 1.146 1028 D CA 0.084 54.085 54.000 0.001 0.000 0.821 1028 D CB 0.909 41.708 40.800 -0.002 0.000 1.201 1028 D HN 0.038 nan 8.370 nan 0.000 0.525 1029 V N -2.288 117.652 119.914 0.042 0.000 3.612 1029 V HA 0.318 4.438 4.120 -0.000 0.000 0.268 1029 V C 0.531 176.690 176.094 0.109 0.000 1.365 1029 V CA -0.276 62.089 62.300 0.108 0.000 1.044 1029 V CB 0.044 31.989 31.823 0.204 0.000 0.820 1029 V HN -0.157 nan 8.190 nan 0.000 0.444 1030 D N 1.220 121.655 120.400 0.058 0.000 2.515 1030 D HA 0.408 5.048 4.640 -0.000 0.000 0.232 1030 D C 1.081 177.297 176.300 -0.140 0.000 1.157 1030 D CA 2.606 56.612 54.000 0.011 0.000 0.871 1030 D CB 0.687 41.503 40.800 0.025 0.000 1.200 1030 D HN 0.822 nan 8.370 nan 0.000 0.466 1031 G N 2.932 111.541 108.800 -0.318 0.000 2.554 1031 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.253 1031 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.253 1031 G C -0.355 173.875 174.900 -1.116 0.000 1.172 1031 G CA 0.106 44.795 45.100 -0.685 0.000 0.950 1031 G HN 0.794 nan 8.290 nan 0.000 0.557 1032 D N 1.022 121.085 120.400 -0.562 0.000 2.308 1032 D HA 0.576 5.216 4.640 -0.000 0.000 0.251 1032 D C 0.956 177.061 176.300 -0.324 0.000 1.127 1032 D CA 0.152 53.929 54.000 -0.372 0.000 0.876 1032 D CB 0.693 41.434 40.800 -0.099 0.000 1.176 1032 D HN 0.329 nan 8.370 nan 0.000 0.446 1033 Q N 2.134 121.763 119.800 -0.284 0.000 2.086 1033 Q HA 0.112 4.451 4.340 -0.000 0.000 0.220 1033 Q C -0.249 175.729 176.000 -0.037 0.000 0.792 1033 Q CA -0.215 55.429 55.803 -0.265 0.000 1.062 1033 Q CB 0.478 28.880 28.738 -0.560 0.000 1.198 1033 Q HN 0.488 nan 8.270 nan 0.000 0.466 1034 T N 2.895 117.450 114.554 0.001 0.000 2.872 1034 T HA -0.016 4.334 4.350 -0.000 0.000 0.292 1034 T C -0.139 174.643 174.700 0.137 0.000 1.036 1034 T CA 1.101 63.230 62.100 0.048 0.000 1.136 1034 T CB -0.219 68.653 68.868 0.007 0.000 1.052 1034 T HN 0.283 nan 8.240 nan 0.000 0.512 1035 Y N 0.238 120.505 120.300 -0.054 0.000 2.764 1035 Y HA 0.793 5.343 4.550 -0.000 0.000 0.331 1035 Y C -0.952 174.911 175.900 -0.062 0.000 1.280 1035 Y CA -1.738 56.309 58.100 -0.089 0.000 1.065 1035 Y CB 1.419 39.809 38.460 -0.116 0.000 1.319 1035 Y HN 0.566 nan 8.280 nan 0.000 0.453 1036 M N 1.762 121.304 119.600 -0.097 0.000 2.667 1036 M HA 0.710 5.190 4.480 -0.000 0.000 0.286 1036 M C -2.103 174.156 176.300 -0.068 0.000 1.270 1036 M CA -0.612 54.586 55.300 -0.169 0.000 0.826 1036 M CB 3.054 35.612 32.600 -0.070 0.000 1.743 1036 M HN 1.054 nan 8.290 nan 0.000 0.460 1037 R N 2.052 122.509 120.500 -0.072 0.000 2.668 1037 R HA 0.774 5.114 4.340 -0.000 0.000 0.272 1037 R C -1.264 174.959 176.300 -0.128 0.000 1.019 1037 R CA -0.998 55.029 56.100 -0.122 0.000 0.894 1037 R CB 2.107 32.334 30.300 -0.122 0.000 1.228 1037 R HN 0.805 nan 8.270 nan 0.000 0.460 1038 L N -1.738 119.369 121.223 -0.194 0.000 2.333 1038 L HA 1.031 5.370 4.340 -0.000 0.000 0.263 1038 L C -0.518 175.980 176.870 -0.619 0.000 1.014 1038 L CA -0.688 53.985 54.840 -0.278 0.000 0.820 1038 L CB 2.632 44.722 42.059 0.052 0.000 1.352 1038 L HN 0.758 nan 8.230 nan 0.000 0.421 1039 G N 0.832 109.049 108.800 -0.972 0.000 2.677 1039 G HA2 0.635 4.595 3.960 -0.000 0.000 0.291 1039 G HA3 0.635 4.595 3.960 -0.000 0.000 0.291 1039 G C -1.840 172.680 174.900 -0.633 0.000 1.435 1039 G CA -0.641 43.797 45.100 -1.105 0.000 0.826 1039 G HN 0.868 nan 8.290 nan 0.000 0.491 1040 F N -0.594 119.327 119.950 -0.048 0.000 2.532 1040 F HA 0.860 5.387 4.527 -0.000 0.000 0.321 1040 F C -0.258 175.694 175.800 0.253 0.000 1.089 1040 F CA -1.412 56.675 58.000 0.144 0.000 0.926 1040 F CB 1.860 40.946 39.000 0.144 0.000 1.168 1040 F HN 0.336 nan 8.300 nan 0.000 0.459 1041 K N 1.336 122.031 120.400 0.491 0.000 2.185 1041 K HA 0.835 5.155 4.320 -0.000 0.000 0.240 1041 K C -0.545 176.283 176.600 0.379 0.000 0.983 1041 K CA -1.230 55.247 56.287 0.316 0.000 0.873 1041 K CB 2.081 34.697 32.500 0.193 0.000 1.118 1041 K HN 1.053 nan 8.250 nan 0.000 0.441 1042 G N 0.968 109.951 108.800 0.305 0.000 2.731 1042 G HA2 0.438 4.398 3.960 -0.000 0.000 0.298 1042 G HA3 0.438 4.398 3.960 -0.000 0.000 0.298 1042 G C -1.567 173.459 174.900 0.210 0.000 1.424 1042 G CA -0.516 44.734 45.100 0.250 0.000 1.029 1042 G HN 0.515 nan 8.290 nan 0.000 0.518 1043 E N 0.539 120.836 120.200 0.162 0.000 2.304 1043 E HA 0.464 4.814 4.350 -0.000 0.000 0.277 1043 E C -1.298 175.373 176.600 0.118 0.000 0.898 1043 E CA -0.851 55.640 56.400 0.151 0.000 0.764 1043 E CB 2.680 32.450 29.700 0.117 0.000 1.216 1043 E HN 0.393 nan 8.360 nan 0.000 0.419 1044 T N 1.513 116.131 114.554 0.106 0.000 2.855 1044 T HA 0.334 4.684 4.350 -0.000 0.000 0.281 1044 T C -1.175 173.570 174.700 0.074 0.000 1.007 1044 T CA -0.639 61.511 62.100 0.083 0.000 1.009 1044 T CB 1.127 70.034 68.868 0.065 0.000 0.983 1044 T HN 0.516 nan 8.240 nan 0.000 0.455 1045 Q N 3.969 123.808 119.800 0.064 0.000 2.368 1045 Q HA 0.512 4.852 4.340 -0.000 0.000 0.263 1045 Q C -0.116 175.914 176.000 0.050 0.000 1.009 1045 Q CA -0.705 55.132 55.803 0.057 0.000 0.818 1045 Q CB 1.270 30.039 28.738 0.051 0.000 1.239 1045 Q HN 0.383 nan 8.270 nan 0.000 0.464 1046 V N 1.758 121.700 119.914 0.047 0.000 2.871 1046 V HA 0.059 4.179 4.120 -0.000 0.000 0.256 1046 V C 0.873 176.995 176.094 0.047 0.000 1.082 1046 V CA 1.402 63.728 62.300 0.044 0.000 1.105 1046 V CB -0.214 31.634 31.823 0.040 0.000 0.713 1046 V HN 0.960 nan 8.190 nan 0.000 0.473 1047 T N -2.326 112.257 114.554 0.050 0.000 2.659 1047 T HA 0.155 4.504 4.350 -0.000 0.000 0.278 1047 T C -0.644 174.087 174.700 0.052 0.000 1.603 1047 T CA 0.154 62.286 62.100 0.052 0.000 1.012 1047 T CB 0.866 69.771 68.868 0.062 0.000 1.987 1047 T HN 0.131 nan 8.240 nan 0.000 0.429 1048 D N -0.115 120.319 120.400 0.056 0.000 2.514 1048 D HA 0.100 4.740 4.640 -0.000 0.000 0.249 1048 D C 1.650 177.989 176.300 0.065 0.000 1.036 1048 D CA 0.393 54.425 54.000 0.053 0.000 0.911 1048 D CB 0.094 40.922 40.800 0.047 0.000 1.145 1048 D HN 0.529 nan 8.370 nan 0.000 0.495 1049 Q N 0.440 120.288 119.800 0.079 0.000 2.020 1049 Q HA -0.079 4.261 4.340 -0.000 0.000 0.202 1049 Q C 0.575 176.641 176.000 0.111 0.000 0.982 1049 Q CA 0.995 56.862 55.803 0.107 0.000 0.838 1049 Q CB 0.219 29.035 28.738 0.131 0.000 0.899 1049 Q HN 0.131 nan 8.270 nan 0.000 0.423 1050 L N 1.330 122.611 121.223 0.097 0.000 2.307 1050 L HA 0.463 4.802 4.340 -0.000 0.000 0.284 1050 L C -1.176 175.717 176.870 0.039 0.000 1.023 1050 L CA -0.261 54.621 54.840 0.071 0.000 0.810 1050 L CB 1.925 44.036 42.059 0.086 0.000 1.231 1050 L HN 0.255 nan 8.230 nan 0.000 0.423 1051 T N 3.030 117.593 114.554 0.014 0.000 2.971 1051 T HA 0.611 4.961 4.350 -0.000 0.000 0.304 1051 T C -0.248 174.491 174.700 0.065 0.000 1.038 1051 T CA -0.276 61.853 62.100 0.048 0.000 1.007 1051 T CB 1.420 70.327 68.868 0.066 0.000 1.055 1051 T HN 0.773 nan 8.240 nan 0.000 0.451 1052 G N 2.792 111.633 108.800 0.068 0.000 2.476 1052 G HA2 0.669 4.629 3.960 -0.000 0.000 0.286 1052 G HA3 0.669 4.629 3.960 -0.000 0.000 0.286 1052 G C -1.269 173.749 174.900 0.197 0.000 1.177 1052 G CA -0.636 44.495 45.100 0.052 0.000 0.870 1052 G HN 1.017 nan 8.290 nan 0.000 0.528 1053 Y N -1.790 118.543 120.300 0.056 0.000 2.624 1053 Y HA 0.718 5.268 4.550 -0.000 0.000 0.334 1053 Y C -0.246 175.731 175.900 0.129 0.000 1.155 1053 Y CA -1.265 56.890 58.100 0.092 0.000 1.046 1053 Y CB 1.198 39.713 38.460 0.091 0.000 1.316 1053 Y HN 0.916 nan 8.280 nan 0.000 0.457 1054 G N 1.418 110.437 108.800 0.365 0.000 2.682 1054 G HA2 0.545 4.504 3.960 -0.000 0.000 0.300 1054 G HA3 0.545 4.504 3.960 -0.000 0.000 0.300 1054 G C -2.410 172.546 174.900 0.093 0.000 1.391 1054 G CA -0.916 44.330 45.100 0.243 0.000 0.990 1054 G HN 0.876 nan 8.290 nan 0.000 0.501 1055 Q N 0.381 119.992 119.800 -0.315 0.000 2.353 1055 Q HA 0.562 4.902 4.340 -0.000 0.000 0.275 1055 Q C -2.403 173.195 176.000 -0.670 0.000 1.029 1055 Q CA -0.965 54.521 55.803 -0.529 0.000 0.848 1055 Q CB 2.846 31.297 28.738 -0.479 0.000 1.390 1055 Q HN 0.622 nan 8.270 nan 0.000 0.401 1056 W N 3.580 124.375 121.300 -0.841 0.000 3.326 1056 W HA 0.482 5.142 4.660 -0.000 0.000 0.333 1056 W C -2.001 174.226 176.519 -0.486 0.000 1.108 1056 W CA -0.170 56.733 57.345 -0.736 0.000 1.245 1056 W CB 1.343 30.105 29.460 -1.164 0.000 1.331 1056 W HN 0.703 nan 8.180 nan 0.000 0.464 1057 E N 4.615 124.252 120.200 -0.937 0.000 2.314 1057 E HA 0.446 4.796 4.350 -0.000 0.000 0.272 1057 E C -2.319 173.778 176.600 -0.839 0.000 0.884 1057 E CA -0.926 54.978 56.400 -0.826 0.000 0.753 1057 E CB 2.429 31.969 29.700 -0.266 0.000 1.213 1057 E HN 0.386 nan 8.360 nan 0.000 0.432 1058 Y N 2.747 122.443 120.300 -1.007 0.000 2.358 1058 Y HA 0.221 4.770 4.550 -0.000 0.000 0.324 1058 Y C -1.416 174.152 175.900 -0.553 0.000 1.123 1058 Y CA -0.503 57.105 58.100 -0.821 0.000 1.067 1058 Y CB 1.588 39.374 38.460 -1.124 0.000 1.230 1058 Y HN 0.541 nan 8.280 nan 0.000 0.429 1059 Q N 5.812 124.996 119.800 -1.027 0.000 2.248 1059 Q HA 0.748 5.088 4.340 -0.000 0.000 0.263 1059 Q C -1.562 173.791 176.000 -1.078 0.000 1.007 1059 Q CA -0.874 54.440 55.803 -0.814 0.000 0.877 1059 Q CB 1.664 29.972 28.738 -0.717 0.000 1.315 1059 Q HN 0.753 nan 8.270 nan 0.000 0.454 1060 I N 3.040 123.242 120.570 -0.614 0.000 2.512 1060 I HA 0.206 4.376 4.170 -0.000 0.000 0.287 1060 I C -0.444 175.491 176.117 -0.304 0.000 1.069 1060 I CA -0.979 60.021 61.300 -0.500 0.000 1.056 1060 I CB 1.828 39.694 38.000 -0.224 0.000 1.229 1060 I HN 0.562 nan 8.210 nan 0.000 0.429 1061 Q N 3.324 122.951 119.800 -0.290 0.000 2.432 1061 Q HA 0.212 4.552 4.340 -0.000 0.000 0.264 1061 Q C 0.889 176.857 176.000 -0.052 0.000 1.035 1061 Q CA 0.290 56.022 55.803 -0.119 0.000 0.908 1061 Q CB 1.175 29.871 28.738 -0.070 0.000 1.280 1061 Q HN 0.963 nan 8.270 nan 0.000 0.455 1062 G N 1.240 110.038 108.800 -0.004 0.000 3.979 1062 G HA2 -0.037 3.922 3.960 -0.000 0.000 0.287 1062 G HA3 -0.037 3.922 3.960 -0.000 0.000 0.287 1062 G C 0.242 175.136 174.900 -0.011 0.000 1.011 1062 G CA -0.273 44.819 45.100 -0.013 0.000 0.818 1062 G HN 0.604 nan 8.290 nan 0.000 0.470 1063 N N 0.580 119.272 118.700 -0.014 0.000 2.389 1063 N HA 0.131 4.871 4.740 -0.000 0.000 0.260 1063 N C 0.079 175.573 175.510 -0.027 0.000 1.191 1063 N CA 0.113 53.148 53.050 -0.026 0.000 0.885 1063 N CB 0.349 38.807 38.487 -0.047 0.000 1.162 1063 N HN 0.201 nan 8.380 nan 0.000 0.512 1064 S N -1.396 114.292 115.700 -0.019 0.000 2.685 1064 S HA 0.834 5.304 4.470 -0.000 0.000 0.282 1064 S C -0.570 174.024 174.600 -0.010 0.000 1.159 1064 S CA -0.784 57.407 58.200 -0.015 0.000 0.833 1064 S CB 1.388 64.580 63.200 -0.012 0.000 1.151 1064 S HN 0.334 nan 8.310 nan 0.000 0.485 1065 A N 0.388 123.204 122.820 -0.007 0.000 2.351 1065 A HA 0.440 4.760 4.320 -0.000 0.000 0.257 1065 A C 0.797 178.379 177.584 -0.002 0.000 1.087 1065 A CA -0.424 51.611 52.037 -0.004 0.000 0.798 1065 A CB -0.424 18.574 19.000 -0.003 0.000 1.033 1065 A HN 0.951 nan 8.150 nan 0.000 0.488 1066 E N 0.835 121.034 120.200 -0.001 0.000 2.501 1066 E HA -0.177 4.173 4.350 -0.000 0.000 0.203 1066 E C 0.786 177.388 176.600 0.003 0.000 1.072 1066 E CA 0.580 56.981 56.400 0.001 0.000 0.885 1066 E CB -0.079 29.620 29.700 -0.000 0.000 0.813 1066 E HN 0.653 nan 8.360 nan 0.000 0.556 1067 N N 0.848 119.550 118.700 0.002 0.000 2.443 1067 N HA -0.174 4.566 4.740 -0.000 0.000 0.184 1067 N C 1.147 176.661 175.510 0.007 0.000 1.037 1067 N CA 1.018 54.070 53.050 0.004 0.000 0.896 1067 N CB 0.242 38.731 38.487 0.002 0.000 0.959 1067 N HN 0.317 nan 8.380 nan 0.000 0.442 1068 E N -1.822 118.383 120.200 0.008 0.000 2.671 1068 E HA -0.007 4.343 4.350 -0.000 0.000 0.204 1068 E C 0.260 176.869 176.600 0.015 0.000 0.940 1068 E CA 0.154 56.560 56.400 0.010 0.000 1.328 1068 E CB 0.153 29.856 29.700 0.006 0.000 1.214 1068 E HN 0.193 nan 8.360 nan 0.000 0.624 1069 N N 1.185 119.894 118.700 0.015 0.000 1.649 1069 N HA -0.306 4.434 4.740 -0.000 0.000 0.208 1069 N C 0.922 176.449 175.510 0.028 0.000 1.562 1069 N CA 2.074 55.139 53.050 0.025 0.000 4.160 1069 N CB -2.430 36.077 38.487 0.033 0.000 0.764 1069 N HN 0.338 nan 8.380 nan 0.000 0.420 1070 N N 2.063 120.779 118.700 0.027 0.000 2.020 1070 N HA -0.238 4.502 4.740 -0.000 0.000 0.200 1070 N C 0.529 176.070 175.510 0.052 0.000 1.054 1070 N CA 3.497 56.579 53.050 0.055 0.000 0.874 1070 N CB -0.915 37.616 38.487 0.073 0.000 1.075 1070 N HN 1.311 nan 8.380 nan 0.000 0.446 1071 S N -0.303 115.327 115.700 -0.117 0.000 4.483 1071 S HA -0.168 4.301 4.470 -0.000 0.000 0.553 1071 S C -0.266 174.156 174.600 -0.296 0.000 0.944 1071 S CA 0.736 58.667 58.200 -0.448 0.000 1.234 1071 S CB -1.919 61.060 63.200 -0.368 0.000 2.206 1071 S HN 0.623 nan 8.310 nan 0.000 0.355 1072 W N 1.967 123.053 121.300 -0.357 0.000 2.894 1072 W HA 0.800 5.460 4.660 -0.000 0.000 0.345 1072 W C -0.453 175.930 176.519 -0.227 0.000 1.152 1072 W CA -0.853 56.383 57.345 -0.182 0.000 1.089 1072 W CB 0.102 29.482 29.460 -0.134 0.000 1.454 1072 W HN 0.460 nan 8.180 nan 0.000 0.589 1073 T N 2.295 117.116 114.554 0.445 0.000 2.729 1073 T HA 0.209 4.559 4.350 -0.000 0.000 0.296 1073 T C 1.008 175.858 174.700 0.249 0.000 0.928 1073 T CA -0.381 61.973 62.100 0.425 0.000 1.045 1073 T CB 0.999 70.106 68.868 0.399 0.000 0.902 1073 T HN 0.462 nan 8.240 nan 0.000 0.500 1074 R N 2.139 122.691 120.500 0.086 0.000 2.057 1074 R HA 0.213 4.553 4.340 -0.000 0.000 0.229 1074 R C 0.382 176.678 176.300 -0.007 0.000 1.136 1074 R CA 0.677 56.794 56.100 0.028 0.000 0.952 1074 R CB 0.232 30.511 30.300 -0.035 0.000 0.848 1074 R HN 0.395 nan 8.270 nan 0.000 0.430 1075 V N -1.256 118.632 119.914 -0.044 0.000 3.000 1075 V HA 0.634 4.754 4.120 -0.000 0.000 0.300 1075 V C -1.944 174.133 176.094 -0.029 0.000 1.251 1075 V CA -0.610 61.712 62.300 0.037 0.000 0.972 1075 V CB 2.139 34.034 31.823 0.120 0.000 1.065 1075 V HN 0.188 nan 8.190 nan 0.000 0.431 1076 A N 5.649 128.499 122.820 0.050 0.000 2.538 1076 A HA 0.817 5.136 4.320 -0.000 0.000 0.293 1076 A C -1.324 176.303 177.584 0.072 0.000 1.065 1076 A CA -0.353 51.691 52.037 0.012 0.000 0.936 1076 A CB 0.547 19.660 19.000 0.189 0.000 1.481 1076 A HN 1.705 nan 8.150 nan 0.000 0.394 1077 F N -0.382 119.593 119.950 0.042 0.000 2.693 1077 F HA 0.939 5.466 4.527 -0.000 0.000 0.309 1077 F C -0.291 175.519 175.800 0.017 0.000 1.129 1077 F CA -0.872 57.127 58.000 -0.001 0.000 0.948 1077 F CB 1.111 40.103 39.000 -0.014 0.000 1.315 1077 F HN 0.953 nan 8.300 nan 0.000 0.447 1078 A N 0.543 123.501 122.820 0.230 0.000 2.413 1078 A HA 1.040 5.360 4.320 -0.000 0.000 0.307 1078 A C -0.430 177.065 177.584 -0.149 0.000 1.087 1078 A CA -0.349 51.715 52.037 0.046 0.000 0.750 1078 A CB 1.435 20.454 19.000 0.032 0.000 1.296 1078 A HN 2.043 nan 8.150 nan 0.000 0.423 1079 G N -0.748 107.674 108.800 -0.630 0.000 2.554 1079 G HA2 0.574 4.534 3.960 -0.000 0.000 0.306 1079 G HA3 0.574 4.534 3.960 -0.000 0.000 0.306 1079 G C -2.453 171.869 174.900 -0.964 0.000 1.320 1079 G CA -0.490 44.154 45.100 -0.761 0.000 0.800 1079 G HN 0.808 nan 8.290 nan 0.000 0.481 1080 L N 0.194 121.130 121.223 -0.479 0.000 2.410 1080 L HA 0.665 5.005 4.340 -0.000 0.000 0.270 1080 L C -0.313 176.415 176.870 -0.235 0.000 0.983 1080 L CA -0.903 53.719 54.840 -0.363 0.000 0.822 1080 L CB 2.068 43.808 42.059 -0.531 0.000 1.285 1080 L HN 0.609 nan 8.230 nan 0.000 0.409 1081 K N 2.124 122.464 120.400 -0.100 0.000 2.307 1081 K HA 0.443 4.763 4.320 -0.000 0.000 0.263 1081 K C 0.038 176.611 176.600 -0.044 0.000 0.973 1081 K CA -0.246 56.060 56.287 0.032 0.000 0.846 1081 K CB 0.911 33.462 32.500 0.085 0.000 1.100 1081 K HN 0.348 nan 8.250 nan 0.000 0.438 1082 F N 2.358 122.391 119.950 0.137 0.000 2.262 1082 F HA -0.052 4.474 4.527 -0.000 0.000 0.292 1082 F C 1.606 177.467 175.800 0.102 0.000 1.081 1082 F CA 1.049 59.127 58.000 0.129 0.000 1.355 1082 F CB 0.319 39.413 39.000 0.156 0.000 1.069 1082 F HN 0.785 nan 8.300 nan 0.000 0.506 1083 Q N -2.061 117.888 119.800 0.248 0.000 7.950 1083 Q HA -0.154 4.186 4.340 -0.000 0.000 0.369 1083 Q C 0.477 176.562 176.000 0.141 0.000 0.946 1083 Q CA 0.916 56.813 55.803 0.157 0.000 0.540 1083 Q CB -1.065 27.761 28.738 0.147 0.000 0.156 1083 Q HN 0.093 nan 8.270 nan 0.000 0.899 1084 D N 0.712 121.215 120.400 0.173 0.000 2.394 1084 D HA 0.122 4.762 4.640 -0.000 0.000 0.237 1084 D C 1.913 178.374 176.300 0.269 0.000 1.028 1084 D CA 1.562 55.678 54.000 0.193 0.000 0.937 1084 D CB 0.225 41.142 40.800 0.194 0.000 1.072 1084 D HN 0.144 nan 8.370 nan 0.000 0.457 1085 V N 1.065 121.173 119.914 0.324 0.000 2.277 1085 V HA -0.207 3.913 4.120 -0.000 0.000 0.255 1085 V C 1.588 177.944 176.094 0.437 0.000 1.059 1085 V CA 2.088 64.645 62.300 0.427 0.000 1.096 1085 V CB -1.338 30.655 31.823 0.283 0.000 0.741 1085 V HN 0.579 nan 8.190 nan 0.000 0.476 1086 G N -1.493 107.488 108.800 0.301 0.000 2.350 1086 G HA2 0.410 4.370 3.960 -0.000 0.000 0.282 1086 G HA3 0.410 4.370 3.960 -0.000 0.000 0.282 1086 G C -0.679 174.277 174.900 0.093 0.000 1.314 1086 G CA 0.049 45.127 45.100 -0.037 0.000 0.915 1086 G HN 1.324 nan 8.290 nan 0.000 0.499 1087 S N -1.158 114.437 115.700 -0.175 0.000 2.578 1087 S HA 0.868 5.338 4.470 -0.000 0.000 0.301 1087 S C -0.992 173.776 174.600 0.280 0.000 1.091 1087 S CA -0.563 57.696 58.200 0.097 0.000 1.032 1087 S CB 2.255 65.485 63.200 0.049 0.000 1.064 1087 S HN 1.831 nan 8.310 nan 0.000 0.508 1088 F N 1.221 121.306 119.950 0.225 0.000 2.576 1088 F HA 0.708 5.235 4.527 -0.000 0.000 0.313 1088 F C -1.994 173.882 175.800 0.127 0.000 1.078 1088 F CA -0.584 57.560 58.000 0.241 0.000 0.921 1088 F CB 1.941 41.167 39.000 0.376 0.000 1.232 1088 F HN 0.899 nan 8.300 nan 0.000 0.459 1089 D N 3.139 122.883 120.400 -1.093 0.000 2.804 1089 D HA 0.196 4.836 4.640 -0.000 0.000 0.209 1089 D C -1.943 173.896 176.300 -0.769 0.000 1.314 1089 D CA -0.455 53.032 54.000 -0.856 0.000 0.894 1089 D CB 0.402 40.999 40.800 -0.337 0.000 1.615 1089 D HN 0.452 nan 8.370 nan 0.000 0.571 1090 Y N 2.223 122.102 120.300 -0.702 0.000 2.326 1090 Y HA 0.711 5.261 4.550 -0.000 0.000 0.324 1090 Y C 0.772 176.669 175.900 -0.004 0.000 1.291 1090 Y CA 1.100 59.062 58.100 -0.231 0.000 1.348 1090 Y CB 1.356 39.796 38.460 -0.034 0.000 1.294 1090 Y HN 0.991 nan 8.280 nan 0.000 0.525 1091 G N 2.976 111.179 108.800 -0.995 0.000 2.339 1091 G HA2 0.015 3.975 3.960 -0.000 0.000 0.381 1091 G HA3 0.015 3.975 3.960 -0.000 0.000 0.381 1091 G C -1.563 173.176 174.900 -0.269 0.000 1.400 1091 G CA -0.992 43.822 45.100 -0.476 0.000 1.002 1091 G HN 0.869 nan 8.290 nan 0.000 0.633 1092 R N 1.003 121.449 120.500 -0.090 0.000 2.457 1092 R HA 0.303 4.643 4.340 -0.000 0.000 0.335 1092 R C -0.068 176.358 176.300 0.210 0.000 1.003 1092 R CA 0.306 56.401 56.100 -0.009 0.000 1.003 1092 R CB -0.170 30.137 30.300 0.011 0.000 0.950 1092 R HN 0.526 nan 8.270 nan 0.000 0.428 1093 N N 2.625 121.489 118.700 0.273 0.000 3.167 1093 N HA 0.255 4.995 4.740 -0.000 0.000 0.323 1093 N C -1.553 174.148 175.510 0.318 0.000 1.478 1093 N CA -0.756 52.508 53.050 0.356 0.000 0.753 1093 N CB 0.674 39.256 38.487 0.158 0.000 1.721 1093 N HN 0.355 nan 8.380 nan 0.000 0.618 1094 Y N 0.146 120.479 120.300 0.054 0.000 2.304 1094 Y HA 0.398 4.947 4.550 -0.000 0.000 0.328 1094 Y C 1.478 177.189 175.900 -0.315 0.000 1.123 1094 Y CA -0.346 57.700 58.100 -0.090 0.000 1.218 1094 Y CB 0.807 39.165 38.460 -0.170 0.000 1.207 1094 Y HN 0.454 nan 8.280 nan 0.000 0.495 1095 G N 1.030 109.722 108.800 -0.180 0.000 2.594 1095 G HA2 0.242 4.202 3.960 -0.000 0.000 0.243 1095 G HA3 0.242 4.202 3.960 -0.000 0.000 0.243 1095 G C 0.917 175.630 174.900 -0.312 0.000 1.229 1095 G CA -0.240 44.539 45.100 -0.536 0.000 0.843 1095 G HN 0.686 nan 8.290 nan 0.000 0.578 1096 V N 0.643 120.347 119.914 -0.349 0.000 2.358 1096 V HA -0.156 3.964 4.120 -0.000 0.000 0.246 1096 V C 2.857 178.862 176.094 -0.148 0.000 1.047 1096 V CA 1.351 63.531 62.300 -0.200 0.000 1.035 1096 V CB -1.221 30.508 31.823 -0.156 0.000 0.658 1096 V HN 0.419 nan 8.190 nan 0.000 0.452 1097 V N -0.170 119.663 119.914 -0.136 0.000 2.592 1097 V HA -0.339 3.780 4.120 -0.000 0.000 0.262 1097 V C 2.302 178.295 176.094 -0.167 0.000 1.108 1097 V CA 2.758 64.970 62.300 -0.146 0.000 1.121 1097 V CB -0.969 30.774 31.823 -0.133 0.000 0.689 1097 V HN 0.776 nan 8.190 nan 0.000 0.479 1098 Y N 0.601 120.751 120.300 -0.250 0.000 2.544 1098 Y HA -0.071 4.479 4.550 -0.000 0.000 0.286 1098 Y C 2.050 177.784 175.900 -0.277 0.000 1.141 1098 Y CA 0.858 58.816 58.100 -0.238 0.000 1.299 1098 Y CB -0.004 38.412 38.460 -0.074 0.000 1.030 1098 Y HN 0.396 nan 8.280 nan 0.000 0.543 1099 D N -0.594 119.627 120.400 -0.299 0.000 2.182 1099 D HA -0.165 4.475 4.640 -0.000 0.000 0.201 1099 D C 2.003 177.781 176.300 -0.870 0.000 0.986 1099 D CA 1.597 55.297 54.000 -0.500 0.000 0.847 1099 D CB -0.082 40.479 40.800 -0.399 0.000 0.942 1099 D HN 0.334 nan 8.370 nan 0.000 0.467 1100 V N 0.188 119.671 119.914 -0.719 0.000 3.212 1100 V HA -0.047 4.073 4.120 -0.000 0.000 0.244 1100 V C 2.363 178.135 176.094 -0.537 0.000 1.151 1100 V CA 1.388 63.171 62.300 -0.861 0.000 1.119 1100 V CB 0.046 31.540 31.823 -0.548 0.000 0.838 1100 V HN 0.274 nan 8.190 nan 0.000 0.470 1101 T N -1.001 113.285 114.554 -0.447 0.000 3.113 1101 T HA -0.081 4.268 4.350 -0.000 0.000 0.256 1101 T C 1.911 176.423 174.700 -0.314 0.000 1.131 1101 T CA 1.173 63.084 62.100 -0.315 0.000 1.074 1101 T CB -0.262 68.385 68.868 -0.368 0.000 0.944 1101 T HN 0.541 nan 8.240 nan 0.000 0.516 1102 S N 0.055 115.354 115.700 -0.669 0.000 2.423 1102 S HA -0.094 4.376 4.470 -0.000 0.000 0.231 1102 S C 1.740 176.299 174.600 -0.068 0.000 1.014 1102 S CA 0.256 58.035 58.200 -0.702 0.000 0.965 1102 S CB -1.392 61.007 63.200 -1.335 0.000 0.785 1102 S HN 0.776 nan 8.310 nan 0.000 0.495 1103 W N 2.667 123.857 121.300 -0.182 0.000 2.296 1103 W HA -0.211 4.448 4.660 -0.000 0.000 0.296 1103 W C 2.034 178.590 176.519 0.062 0.000 1.220 1103 W CA 1.048 58.372 57.345 -0.035 0.000 1.223 1103 W CB -0.286 29.148 29.460 -0.044 0.000 1.139 1103 W HN 0.584 nan 8.180 nan 0.000 0.534 1104 T N -3.968 110.716 114.554 0.218 0.000 3.182 1104 T HA 0.042 4.392 4.350 -0.000 0.000 0.277 1104 T C -0.547 174.213 174.700 0.099 0.000 1.013 1104 T CA -0.338 61.856 62.100 0.156 0.000 0.900 1104 T CB -0.003 68.933 68.868 0.114 0.000 1.098 1104 T HN -0.158 nan 8.240 nan 0.000 0.543 1105 D N 1.990 122.447 120.400 0.095 0.000 2.473 1105 D HA 0.387 5.027 4.640 -0.000 0.000 0.226 1105 D C 0.539 176.867 176.300 0.047 0.000 1.089 1105 D CA -0.769 53.302 54.000 0.119 0.000 0.883 1105 D CB 0.866 41.822 40.800 0.260 0.000 1.029 1105 D HN 0.256 nan 8.370 nan 0.000 0.517 1106 V N 1.258 121.168 119.914 -0.006 0.000 4.274 1106 V HA 0.210 4.330 4.120 -0.000 0.000 0.634 1106 V C 0.100 176.151 176.094 -0.073 0.000 1.973 1106 V CA -0.625 61.619 62.300 -0.095 0.000 2.674 1106 V CB -1.400 30.266 31.823 -0.261 0.000 1.069 1106 V HN 0.323 nan 8.190 nan 0.000 0.599 1107 L N 0.182 121.399 121.223 -0.011 0.000 2.456 1107 L HA 0.494 4.833 4.340 -0.000 0.000 0.257 1107 L C -0.904 175.940 176.870 -0.043 0.000 1.162 1107 L CA -1.611 53.238 54.840 0.016 0.000 0.808 1107 L CB 0.425 42.549 42.059 0.108 0.000 1.136 1107 L HN -0.033 nan 8.230 nan 0.000 0.466 1108 P HA -0.190 nan 4.420 nan 0.000 0.216 1108 P C 0.744 177.828 177.300 -0.360 0.000 1.150 1108 P CA 1.353 64.364 63.100 -0.147 0.000 0.843 1108 P CB 0.399 32.100 31.700 0.001 0.000 0.787 1109 E N -2.819 117.217 120.200 -0.275 0.000 3.155 1109 E HA 0.109 4.459 4.350 -0.000 0.000 0.208 1109 E C 0.856 177.196 176.600 -0.434 0.000 1.060 1109 E CA -0.063 56.064 56.400 -0.454 0.000 1.522 1109 E CB -0.586 28.804 29.700 -0.516 0.000 1.433 1109 E HN -0.118 nan 8.360 nan 0.000 0.709 1110 F N 1.580 121.528 119.950 -0.004 0.000 1.996 1110 F HA 0.442 4.969 4.527 -0.000 0.000 0.241 1110 F C 1.793 177.622 175.800 0.048 0.000 1.049 1110 F CA 1.084 59.080 58.000 -0.007 0.000 1.222 1110 F CB -0.778 38.176 39.000 -0.077 0.000 1.834 1110 F HN 0.275 nan 8.300 nan 0.000 0.508 1111 G N -1.164 107.868 108.800 0.386 0.000 2.877 1111 G HA2 0.298 4.258 3.960 -0.000 0.000 0.279 1111 G HA3 0.298 4.258 3.960 -0.000 0.000 0.279 1111 G C 0.583 175.524 174.900 0.068 0.000 1.431 1111 G CA -0.206 45.026 45.100 0.220 0.000 0.883 1111 G HN 1.992 nan 8.290 nan 0.000 0.547 1112 G N -0.865 107.923 108.800 -0.019 0.000 2.283 1112 G HA2 0.071 4.031 3.960 -0.000 0.000 0.280 1112 G HA3 0.071 4.031 3.960 -0.000 0.000 0.280 1112 G C 0.479 174.930 174.900 -0.747 0.000 1.029 1112 G CA 1.420 46.383 45.100 -0.228 0.000 0.840 1112 G HN 2.358 nan 8.290 nan 0.000 0.505 1113 D N -1.052 119.048 120.400 -0.501 0.000 2.819 1113 D HA 0.148 4.788 4.640 -0.000 0.000 0.326 1113 D C 1.190 177.343 176.300 -0.246 0.000 1.408 1113 D CA 0.444 54.222 54.000 -0.371 0.000 0.811 1113 D CB -0.599 40.136 40.800 -0.109 0.000 1.148 1113 D HN 0.370 nan 8.370 nan 0.000 0.457 1114 T N -2.129 112.237 114.554 -0.313 0.000 3.163 1114 T HA 0.308 4.658 4.350 -0.000 0.000 0.252 1114 T C 0.155 174.936 174.700 0.135 0.000 1.056 1114 T CA -0.114 61.970 62.100 -0.027 0.000 0.947 1114 T CB -0.717 68.204 68.868 0.088 0.000 1.016 1114 T HN 0.339 nan 8.240 nan 0.000 0.554 1115 Y N -2.178 118.141 120.300 0.031 0.000 2.788 1115 Y HA 0.792 5.342 4.550 -0.000 0.000 0.335 1115 Y C -0.065 175.843 175.900 0.013 0.000 1.287 1115 Y CA -1.749 56.370 58.100 0.032 0.000 1.068 1115 Y CB 0.647 39.141 38.460 0.057 0.000 1.340 1115 Y HN 0.154 nan 8.280 nan 0.000 0.449 1116 G N -0.302 108.619 108.800 0.202 0.000 2.749 1116 G HA2 0.536 4.496 3.960 -0.000 0.000 0.300 1116 G HA3 0.536 4.496 3.960 -0.000 0.000 0.300 1116 G C -1.704 173.196 174.900 0.000 0.000 1.352 1116 G CA -1.091 44.021 45.100 0.019 0.000 0.789 1116 G HN 0.625 nan 8.290 nan 0.000 0.509 1117 S N 0.462 116.095 115.700 -0.111 0.000 2.586 1117 S HA 0.457 4.927 4.470 -0.000 0.000 0.274 1117 S C -0.467 174.023 174.600 -0.185 0.000 1.281 1117 S CA -0.157 57.944 58.200 -0.165 0.000 1.035 1117 S CB 0.913 63.968 63.200 -0.241 0.000 0.962 1117 S HN 0.599 nan 8.310 nan 0.000 0.512 1118 D N 1.784 122.066 120.400 -0.196 0.000 2.697 1118 D HA -0.157 4.483 4.640 -0.000 0.000 0.238 1118 D C -0.552 175.578 176.300 -0.283 0.000 1.152 1118 D CA 0.555 54.408 54.000 -0.245 0.000 0.666 1118 D CB -1.129 39.518 40.800 -0.254 0.000 1.037 1118 D HN 0.460 nan 8.370 nan 0.000 0.423 1119 N N 0.173 118.749 118.700 -0.206 0.000 2.813 1119 N HA 0.233 4.973 4.740 -0.000 0.000 0.282 1119 N C 0.489 175.961 175.510 -0.063 0.000 1.748 1119 N CA -0.450 52.479 53.050 -0.201 0.000 0.860 1119 N CB 0.006 38.482 38.487 -0.018 0.000 1.204 1119 N HN 0.056 nan 8.380 nan 0.000 0.490 1120 F N 0.062 120.013 119.950 0.001 0.000 2.426 1120 F HA -0.429 4.098 4.527 -0.000 0.000 0.283 1120 F C 1.444 177.313 175.800 0.116 0.000 1.467 1120 F CA 1.729 59.747 58.000 0.029 0.000 1.793 1120 F CB -0.883 38.131 39.000 0.022 0.000 1.994 1120 F HN 0.303 nan 8.300 nan 0.000 0.187 1121 M N -0.804 119.020 119.600 0.374 0.000 2.340 1121 M HA 0.159 4.639 4.480 -0.000 0.000 0.345 1121 M C 1.290 177.668 176.300 0.129 0.000 1.008 1121 M CA 0.115 55.602 55.300 0.310 0.000 0.987 1121 M CB 0.748 33.466 32.600 0.196 0.000 1.598 1121 M HN 0.453 nan 8.290 nan 0.000 0.569 1122 Q N 1.292 121.172 119.800 0.135 0.000 2.096 1122 Q HA -0.105 4.235 4.340 -0.000 0.000 0.208 1122 Q C 0.917 176.912 176.000 -0.009 0.000 0.993 1122 Q CA 1.557 57.379 55.803 0.033 0.000 0.862 1122 Q CB 0.363 29.162 28.738 0.102 0.000 0.915 1122 Q HN 0.329 nan 8.270 nan 0.000 0.416 1123 Q N -0.689 119.141 119.800 0.050 0.000 2.352 1123 Q HA 0.207 4.547 4.340 -0.000 0.000 0.270 1123 Q C -1.481 174.474 176.000 -0.074 0.000 1.006 1123 Q CA -0.492 55.286 55.803 -0.042 0.000 0.880 1123 Q CB 1.628 30.430 28.738 0.108 0.000 1.392 1123 Q HN 0.252 nan 8.270 nan 0.000 0.401 1124 R N 0.565 120.924 120.500 -0.235 0.000 1.950 1124 R HA -0.132 4.208 4.340 -0.000 0.000 0.285 1124 R C -0.519 175.705 176.300 -0.127 0.000 1.303 1124 R CA 1.696 57.624 56.100 -0.286 0.000 1.306 1124 R CB -0.647 29.302 30.300 -0.585 0.000 3.532 1124 R HN 0.928 nan 8.270 nan 0.000 0.383 1125 G N 2.514 111.232 108.800 -0.137 0.000 2.356 1125 G HA2 0.237 4.197 3.960 -0.000 0.000 0.294 1125 G HA3 0.237 4.197 3.960 -0.000 0.000 0.294 1125 G C -1.598 173.005 174.900 -0.494 0.000 1.423 1125 G CA -0.847 44.066 45.100 -0.312 0.000 0.806 1125 G HN 0.615 nan 8.290 nan 0.000 0.527 1126 N N -0.563 117.862 118.700 -0.459 0.000 2.508 1126 N HA 0.496 5.236 4.740 -0.000 0.000 0.285 1126 N C 0.816 176.044 175.510 -0.469 0.000 1.144 1126 N CA 0.508 53.336 53.050 -0.370 0.000 0.978 1126 N CB 1.529 39.891 38.487 -0.208 0.000 1.180 1126 N HN 1.729 nan 8.380 nan 0.000 0.484 1127 G N 0.601 109.204 108.800 -0.328 0.000 2.212 1127 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.255 1127 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.255 1127 G C -0.544 174.394 174.900 0.063 0.000 1.062 1127 G CA -0.432 44.608 45.100 -0.100 0.000 0.815 1127 G HN 0.471 nan 8.290 nan 0.000 0.497 1128 F N 0.758 120.697 119.950 -0.018 0.000 2.411 1128 F HA 0.557 5.083 4.527 -0.000 0.000 0.355 1128 F C 0.845 176.759 175.800 0.190 0.000 1.117 1128 F CA -0.347 57.699 58.000 0.076 0.000 1.139 1128 F CB 1.579 40.558 39.000 -0.034 0.000 1.120 1128 F HN 0.331 nan 8.300 nan 0.000 0.493 1129 A N 3.394 126.576 122.820 0.604 0.000 2.258 1129 A HA 0.662 4.982 4.320 -0.000 0.000 0.316 1129 A C -0.465 177.339 177.584 0.366 0.000 1.279 1129 A CA -0.425 51.917 52.037 0.509 0.000 0.876 1129 A CB 0.518 19.916 19.000 0.663 0.000 1.170 1129 A HN 0.661 nan 8.150 nan 0.000 0.520 1130 T N 1.861 116.508 114.554 0.155 0.000 2.841 1130 T HA 0.476 4.826 4.350 -0.000 0.000 0.283 1130 T C -1.192 173.683 174.700 0.291 0.000 1.000 1130 T CA -0.125 62.058 62.100 0.138 0.000 0.977 1130 T CB 0.992 69.815 68.868 -0.075 0.000 0.979 1130 T HN 0.509 nan 8.240 nan 0.000 0.446 1131 Y N 3.495 123.899 120.300 0.173 0.000 2.328 1131 Y HA 0.578 5.128 4.550 -0.000 0.000 0.333 1131 Y C -0.335 175.549 175.900 -0.026 0.000 0.958 1131 Y CA -1.000 57.198 58.100 0.164 0.000 1.167 1131 Y CB 0.762 39.342 38.460 0.200 0.000 1.151 1131 Y HN 0.530 nan 8.280 nan 0.000 0.470 1132 R N 4.500 124.538 120.500 -0.771 0.000 2.599 1132 R HA 0.386 4.726 4.340 -0.000 0.000 0.295 1132 R C -1.509 174.194 176.300 -0.995 0.000 0.963 1132 R CA -1.166 54.468 56.100 -0.777 0.000 0.883 1132 R CB 1.662 31.706 30.300 -0.427 0.000 1.171 1132 R HN 0.631 nan 8.270 nan 0.000 0.450 1133 N N 0.134 118.240 118.700 -0.990 0.000 2.321 1133 N HA 0.205 4.945 4.740 -0.000 0.000 0.299 1133 N C -0.084 175.149 175.510 -0.462 0.000 1.048 1133 N CA -0.267 52.298 53.050 -0.808 0.000 0.836 1133 N CB 2.183 40.014 38.487 -1.092 0.000 1.269 1133 N HN 0.440 nan 8.380 nan 0.000 0.486 1134 T N 0.821 115.188 114.554 -0.312 0.000 2.925 1134 T HA 0.101 4.451 4.350 -0.000 0.000 0.245 1134 T C -0.918 173.776 174.700 -0.011 0.000 1.025 1134 T CA 0.945 62.961 62.100 -0.140 0.000 1.149 1134 T CB -0.128 68.673 68.868 -0.111 0.000 0.866 1134 T HN 0.706 nan 8.240 nan 0.000 0.437 1135 D N 0.718 121.130 120.400 0.020 0.000 2.375 1135 D HA 0.270 4.910 4.640 -0.000 0.000 0.259 1135 D C -0.683 175.753 176.300 0.227 0.000 1.235 1135 D CA -0.604 53.485 54.000 0.147 0.000 0.924 1135 D CB -0.000 40.886 40.800 0.143 0.000 1.143 1135 D HN 0.071 nan 8.370 nan 0.000 0.529 1136 F N 2.907 122.917 119.950 0.101 0.000 2.255 1136 F HA -0.314 4.213 4.527 -0.000 0.000 0.134 1136 F C -0.144 175.859 175.800 0.338 0.000 1.085 1136 F CA 0.431 58.542 58.000 0.185 0.000 0.746 1136 F CB -1.304 37.868 39.000 0.286 0.000 0.588 1136 F HN 0.512 nan 8.300 nan 0.000 0.796 1137 F N -0.091 119.906 119.950 0.078 0.000 2.965 1137 F HA -0.190 4.337 4.527 -0.000 0.000 0.287 1137 F C 1.531 177.354 175.800 0.038 0.000 0.790 1137 F CA 0.731 58.730 58.000 -0.000 0.000 1.279 1137 F CB -1.612 37.319 39.000 -0.115 0.000 1.409 1137 F HN 0.782 nan 8.300 nan 0.000 0.446 1138 G N 0.022 108.912 108.800 0.149 0.000 2.199 1138 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.254 1138 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.254 1138 G C 0.339 175.325 174.900 0.142 0.000 0.982 1138 G CA 0.183 45.357 45.100 0.124 0.000 0.632 1138 G HN 1.175 nan 8.290 nan 0.000 0.529 1139 L N -0.673 120.663 121.223 0.187 0.000 3.073 1139 L HA 0.804 5.144 4.340 -0.000 0.000 0.242 1139 L C 0.034 177.039 176.870 0.226 0.000 1.317 1139 L CA -0.171 54.777 54.840 0.181 0.000 1.081 1139 L CB -0.373 41.776 42.059 0.151 0.000 1.456 1139 L HN 1.270 nan 8.230 nan 0.000 0.525 1140 V N -0.122 119.928 119.914 0.226 0.000 2.661 1140 V HA 0.307 4.427 4.120 -0.000 0.000 0.266 1140 V C -2.361 173.884 176.094 0.251 0.000 1.820 1140 V CA -0.475 61.962 62.300 0.227 0.000 0.838 1140 V CB 1.719 33.689 31.823 0.245 0.000 1.369 1140 V HN 0.524 nan 8.190 nan 0.000 0.417 1141 D N 3.603 124.164 120.400 0.268 0.000 2.593 1141 D HA 0.729 5.369 4.640 -0.000 0.000 0.251 1141 D C 0.591 177.051 176.300 0.267 0.000 1.140 1141 D CA 1.205 55.344 54.000 0.233 0.000 0.855 1141 D CB 1.735 42.639 40.800 0.173 0.000 1.267 1141 D HN 1.982 nan 8.370 nan 0.000 0.532 1142 G N 2.706 111.623 108.800 0.194 0.000 2.176 1142 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.252 1142 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.252 1142 G C -0.321 174.720 174.900 0.236 0.000 1.024 1142 G CA 0.180 45.354 45.100 0.124 0.000 0.755 1142 G HN 0.483 nan 8.290 nan 0.000 0.507 1143 L N 1.657 123.113 121.223 0.388 0.000 2.298 1143 L HA 0.725 5.065 4.340 -0.000 0.000 0.284 1143 L C 0.100 177.160 176.870 0.316 0.000 1.013 1143 L CA -0.709 54.394 54.840 0.440 0.000 0.824 1143 L CB 0.699 42.946 42.059 0.314 0.000 1.221 1143 L HN 0.489 nan 8.230 nan 0.000 0.418 1144 N N 3.241 122.111 118.700 0.284 0.000 3.039 1144 N HA 0.686 5.426 4.740 -0.000 0.000 0.257 1144 N C -1.436 174.266 175.510 0.320 0.000 1.497 1144 N CA -0.785 52.435 53.050 0.284 0.000 0.861 1144 N CB 2.134 40.677 38.487 0.093 0.000 1.479 1144 N HN 0.377 nan 8.380 nan 0.000 0.547 1145 F N -2.811 117.151 119.950 0.021 0.000 2.770 1145 F HA 0.856 5.383 4.527 -0.000 0.000 0.313 1145 F C -2.288 173.533 175.800 0.035 0.000 1.154 1145 F CA -0.843 57.179 58.000 0.037 0.000 0.923 1145 F CB 1.161 40.219 39.000 0.097 0.000 1.301 1145 F HN 0.832 nan 8.300 nan 0.000 0.449 1146 A N 1.936 124.779 122.820 0.038 0.000 2.517 1146 A HA 0.778 5.097 4.320 -0.000 0.000 0.297 1146 A C -2.319 175.370 177.584 0.174 0.000 1.050 1146 A CA -0.594 51.421 52.037 -0.037 0.000 0.694 1146 A CB 1.578 20.526 19.000 -0.087 0.000 1.277 1146 A HN 1.750 nan 8.150 nan 0.000 0.400 1147 V N 1.953 122.004 119.914 0.227 0.000 3.007 1147 V HA 0.911 5.031 4.120 -0.000 0.000 0.311 1147 V C -1.175 175.046 176.094 0.211 0.000 1.120 1147 V CA -0.093 62.352 62.300 0.241 0.000 0.980 1147 V CB 2.151 34.164 31.823 0.317 0.000 1.033 1147 V HN 1.439 nan 8.190 nan 0.000 0.429 1148 Q N 4.286 124.191 119.800 0.174 0.000 2.479 1148 Q HA 0.529 4.868 4.340 -0.000 0.000 0.276 1148 Q C -2.416 173.734 176.000 0.249 0.000 0.989 1148 Q CA -0.780 55.138 55.803 0.190 0.000 0.864 1148 Q CB 1.968 30.720 28.738 0.024 0.000 1.444 1148 Q HN 0.820 nan 8.270 nan 0.000 0.388 1149 Y N 1.872 122.297 120.300 0.209 0.000 2.391 1149 Y HA 0.475 5.024 4.550 -0.000 0.000 0.341 1149 Y C -1.777 174.316 175.900 0.322 0.000 0.965 1149 Y CA -0.388 57.847 58.100 0.224 0.000 1.067 1149 Y CB 2.287 40.869 38.460 0.203 0.000 1.199 1149 Y HN 0.823 nan 8.280 nan 0.000 0.450 1150 Q N 4.397 124.221 119.800 0.040 0.000 2.309 1150 Q HA 0.664 5.004 4.340 -0.000 0.000 0.270 1150 Q C -0.338 175.573 176.000 -0.147 0.000 1.023 1150 Q CA -1.080 54.801 55.803 0.131 0.000 0.758 1150 Q CB 1.835 30.716 28.738 0.238 0.000 1.247 1150 Q HN 0.962 nan 8.270 nan 0.000 0.455 1151 G N 2.434 111.297 108.800 0.104 0.000 2.484 1151 G HA2 0.022 3.982 3.960 -0.000 0.000 0.235 1151 G HA3 0.022 3.982 3.960 -0.000 0.000 0.235 1151 G C -0.426 174.486 174.900 0.021 0.000 1.282 1151 G CA -0.543 44.621 45.100 0.106 0.000 0.857 1151 G HN 0.793 nan 8.290 nan 0.000 0.571 1152 K N 1.088 121.500 120.400 0.020 0.000 2.561 1152 K HA -0.059 4.260 4.320 -0.000 0.000 0.280 1152 K C -0.430 176.168 176.600 -0.002 0.000 0.975 1152 K CA 0.457 56.751 56.287 0.010 0.000 1.024 1152 K CB 0.087 32.608 32.500 0.034 0.000 0.883 1152 K HN 0.583 nan 8.250 nan 0.000 0.496 1153 N N 3.562 122.239 118.700 -0.038 0.000 2.576 1153 N HA 0.167 4.907 4.740 -0.000 0.000 0.269 1153 N C -0.249 175.219 175.510 -0.071 0.000 1.058 1153 N CA -0.537 52.478 53.050 -0.059 0.000 0.860 1153 N CB 1.932 40.358 38.487 -0.102 0.000 1.249 1153 N HN 0.760 nan 8.380 nan 0.000 0.525 1154 G N 1.447 110.219 108.800 -0.048 0.000 3.329 1154 G HA2 0.147 4.107 3.960 -0.000 0.000 0.180 1154 G HA3 0.147 4.107 3.960 -0.000 0.000 0.180 1154 G C 0.103 174.952 174.900 -0.085 0.000 1.640 1154 G CA -0.024 45.051 45.100 -0.041 0.000 1.018 1154 G HN 0.328 nan 8.290 nan 0.000 0.581 1155 N N 0.691 119.337 118.700 -0.091 0.000 2.456 1155 N HA 0.387 5.127 4.740 -0.000 0.000 0.296 1155 N C -1.911 173.385 175.510 -0.356 0.000 1.102 1155 N CA -1.906 51.047 53.050 -0.161 0.000 0.924 1155 N CB 2.048 40.480 38.487 -0.093 0.000 1.186 1155 N HN -0.092 nan 8.380 nan 0.000 0.492 1156 P HA 0.019 nan 4.420 nan 0.000 0.226 1156 P C 0.490 176.676 177.300 -1.858 0.000 1.153 1156 P CA 0.922 63.479 63.100 -0.905 0.000 0.777 1156 P CB 0.484 31.821 31.700 -0.606 0.000 0.794 1157 S N -0.598 114.732 115.700 -0.616 0.000 2.118 1157 S HA 0.229 4.699 4.470 -0.000 0.000 0.160 1157 S C 1.545 176.498 174.600 0.587 0.000 1.407 1157 S CA 1.102 59.389 58.200 0.146 0.000 2.425 1157 S CB -0.978 62.265 63.200 0.073 0.000 0.270 1157 S HN 0.230 nan 8.310 nan 0.000 0.349 1158 G N 0.154 109.125 108.800 0.285 0.000 5.084 1158 G HA2 0.455 4.415 3.960 -0.000 0.000 0.241 1158 G HA3 0.455 4.415 3.960 -0.000 0.000 0.241 1158 G C -0.834 174.136 174.900 0.116 0.000 0.918 1158 G CA -0.073 45.139 45.100 0.186 0.000 0.754 1158 G HN 0.339 nan 8.290 nan 0.000 0.478 1159 E N -0.401 119.876 120.200 0.128 0.000 2.749 1159 E HA 0.399 4.749 4.350 -0.000 0.000 0.360 1159 E C 0.435 177.089 176.600 0.090 0.000 1.037 1159 E CA 0.100 56.553 56.400 0.088 0.000 0.684 1159 E CB -0.105 29.634 29.700 0.064 0.000 1.422 1159 E HN 1.182 nan 8.360 nan 0.000 0.407 1160 G N 3.090 111.949 108.800 0.097 0.000 2.141 1160 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.231 1160 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.231 1160 G C 0.286 175.260 174.900 0.123 0.000 0.984 1160 G CA -0.248 44.905 45.100 0.089 0.000 0.660 1160 G HN 0.430 nan 8.290 nan 0.000 0.525 1161 F N 2.134 122.092 119.950 0.013 0.000 2.703 1161 F HA 0.359 4.885 4.527 -0.000 0.000 0.324 1161 F C 1.476 177.284 175.800 0.013 0.000 1.174 1161 F CA 2.027 60.033 58.000 0.011 0.000 1.367 1161 F CB 0.644 39.650 39.000 0.011 0.000 1.065 1161 F HN 0.390 nan 8.300 nan 0.000 0.633 1162 T N -0.620 114.026 114.554 0.152 0.000 2.933 1162 T HA 0.325 4.675 4.350 -0.000 0.000 0.305 1162 T C 0.584 175.385 174.700 0.168 0.000 1.092 1162 T CA -0.297 61.883 62.100 0.134 0.000 1.008 1162 T CB 1.332 70.238 68.868 0.064 0.000 1.102 1162 T HN 0.791 nan 8.240 nan 0.000 0.469 1163 S N 2.382 118.191 115.700 0.181 0.000 2.433 1163 S HA -0.118 4.351 4.470 -0.000 0.000 0.276 1163 S C 1.147 175.814 174.600 0.112 0.000 1.122 1163 S CA 1.602 59.901 58.200 0.166 0.000 1.277 1163 S CB -1.336 61.931 63.200 0.112 0.000 1.198 1163 S HN 1.820 nan 8.310 nan 0.000 0.440 1164 G N 1.062 109.894 108.800 0.053 0.000 2.938 1164 G HA2 0.614 4.574 3.960 -0.000 0.000 0.308 1164 G HA3 0.614 4.574 3.960 -0.000 0.000 0.308 1164 G C -0.970 173.911 174.900 -0.031 0.000 1.422 1164 G CA -0.097 45.010 45.100 0.012 0.000 1.071 1164 G HN 0.772 nan 8.290 nan 0.000 0.530 1165 V N 0.202 120.064 119.914 -0.086 0.000 3.165 1165 V HA 0.927 5.047 4.120 -0.000 0.000 0.309 1165 V C -0.104 175.877 176.094 -0.189 0.000 1.267 1165 V CA -0.863 61.348 62.300 -0.148 0.000 1.067 1165 V CB 1.531 33.226 31.823 -0.213 0.000 1.082 1165 V HN 0.776 nan 8.190 nan 0.000 0.451 1166 T N -0.093 114.347 114.554 -0.190 0.000 2.792 1166 T HA 0.410 4.759 4.350 -0.000 0.000 0.303 1166 T C -0.867 173.738 174.700 -0.159 0.000 1.310 1166 T CA -0.448 61.551 62.100 -0.168 0.000 1.007 1166 T CB 1.903 70.677 68.868 -0.156 0.000 1.335 1166 T HN 1.106 nan 8.240 nan 0.000 0.504 1167 N N 1.645 120.260 118.700 -0.141 0.000 2.386 1167 N HA 0.228 4.968 4.740 -0.000 0.000 0.291 1167 N C 0.219 175.653 175.510 -0.128 0.000 1.309 1167 N CA -0.299 52.679 53.050 -0.120 0.000 0.948 1167 N CB 0.066 38.487 38.487 -0.109 0.000 1.083 1167 N HN 0.804 nan 8.380 nan 0.000 0.527 1168 N N -2.795 115.833 118.700 -0.119 0.000 2.082 1168 N HA 0.081 4.821 4.740 -0.000 0.000 0.228 1168 N C 1.468 176.888 175.510 -0.149 0.000 1.341 1168 N CA 0.277 53.249 53.050 -0.129 0.000 0.873 1168 N CB -0.424 38.012 38.487 -0.084 0.000 1.137 1168 N HN 0.649 nan 8.380 nan 0.000 0.505 1169 G N 2.002 110.710 108.800 -0.153 0.000 2.681 1169 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.224 1169 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.224 1169 G C 1.452 176.219 174.900 -0.222 0.000 1.100 1169 G CA 0.859 45.855 45.100 -0.172 0.000 0.743 1169 G HN 0.397 nan 8.290 nan 0.000 0.612 1170 R N 0.250 120.618 120.500 -0.219 0.000 2.472 1170 R HA 0.209 4.549 4.340 -0.000 0.000 0.279 1170 R C -0.397 175.728 176.300 -0.292 0.000 0.953 1170 R CA -0.251 55.689 56.100 -0.267 0.000 1.088 1170 R CB 0.422 30.581 30.300 -0.235 0.000 1.197 1170 R HN 0.279 nan 8.270 nan 0.000 0.536 1182 G N -1.119 107.688 108.800 0.012 0.000 2.649 1182 G HA2 0.994 4.954 3.960 -0.000 0.000 0.290 1182 G HA3 0.994 4.954 3.960 -0.000 0.000 0.290 1182 G C -0.651 174.266 174.900 0.028 0.000 1.426 1182 G CA 0.459 45.590 45.100 0.051 0.000 0.794 1182 G HN 2.018 nan 8.290 nan 0.000 0.483 1183 S N -0.890 114.854 115.700 0.073 0.000 2.547 1183 S HA 0.726 5.195 4.470 -0.000 0.000 0.270 1183 S C -1.015 173.657 174.600 0.120 0.000 1.150 1183 S CA -0.795 57.425 58.200 0.033 0.000 0.850 1183 S CB 1.947 65.105 63.200 -0.069 0.000 1.118 1183 S HN 1.913 nan 8.310 nan 0.000 0.461 1184 I N -0.529 120.099 120.570 0.097 0.000 2.730 1184 I HA 0.944 5.114 4.170 -0.000 0.000 0.298 1184 I C -0.755 175.434 176.117 0.121 0.000 1.089 1184 I CA -0.673 60.717 61.300 0.150 0.000 1.041 1184 I CB 1.053 39.111 38.000 0.096 0.000 1.235 1184 I HN 1.119 nan 8.210 nan 0.000 0.423 1185 T N 2.309 116.972 114.554 0.182 0.000 2.982 1185 T HA 0.607 4.957 4.350 -0.000 0.000 0.321 1185 T C -1.658 173.259 174.700 0.363 0.000 1.229 1185 T CA -0.502 61.749 62.100 0.252 0.000 1.044 1185 T CB 1.618 70.619 68.868 0.221 0.000 1.184 1185 T HN 0.826 nan 8.240 nan 0.000 0.477 1186 Y N 0.963 121.426 120.300 0.272 0.000 2.524 1186 Y HA 0.659 5.209 4.550 -0.000 0.000 0.344 1186 Y C 0.012 176.114 175.900 0.336 0.000 1.012 1186 Y CA -1.036 57.223 58.100 0.264 0.000 1.068 1186 Y CB 2.617 41.195 38.460 0.197 0.000 1.249 1186 Y HN 0.849 nan 8.280 nan 0.000 0.468 1187 D N 1.216 121.005 120.400 -1.018 0.000 2.531 1187 D HA -0.006 4.633 4.640 -0.000 0.000 0.263 1187 D C -0.613 175.514 176.300 -0.288 0.000 1.057 1187 D CA 0.577 54.264 54.000 -0.522 0.000 0.909 1187 D CB -0.037 40.606 40.800 -0.262 0.000 1.236 1187 D HN 0.442 nan 8.370 nan 0.000 0.494 1188 Y N 2.202 122.224 120.300 -0.463 0.000 3.079 1188 Y HA -0.222 4.328 4.550 -0.000 0.000 0.226 1188 Y C -0.570 175.356 175.900 0.044 0.000 1.078 1188 Y CA -0.670 57.377 58.100 -0.088 0.000 0.756 1188 Y CB -2.437 36.033 38.460 0.017 0.000 1.117 1188 Y HN -0.058 nan 8.280 nan 0.000 0.374 1189 E N 1.198 121.372 120.200 -0.043 0.000 0.669 1189 E HA -0.047 4.303 4.350 -0.000 0.000 0.361 1189 E C 1.126 177.621 176.600 -0.174 0.000 0.875 1189 E CA 2.124 58.465 56.400 -0.098 0.000 1.363 1189 E CB -0.937 28.743 29.700 -0.034 0.000 0.339 1189 E HN 1.747 nan 8.360 nan 0.000 0.363 1190 G N 2.080 110.624 108.800 -0.428 0.000 2.955 1190 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.604 1190 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.604 1190 G C -0.264 174.208 174.900 -0.714 0.000 1.572 1190 G CA -0.133 44.467 45.100 -0.834 0.000 1.016 1190 G HN 0.904 nan 8.290 nan 0.000 0.569 1191 F N -2.918 116.686 119.950 -0.577 0.000 2.158 1191 F HA 0.134 4.661 4.527 -0.000 0.000 0.514 1191 F C 0.989 176.443 175.800 -0.577 0.000 1.280 1191 F CA 0.819 58.496 58.000 -0.539 0.000 1.650 1191 F CB -1.124 37.343 39.000 -0.888 0.000 2.635 1191 F HN 1.541 nan 8.300 nan 0.000 0.725 1192 G N 3.592 112.223 108.800 -0.283 0.000 2.524 1192 G HA2 0.839 4.799 3.960 -0.000 0.000 0.310 1192 G HA3 0.839 4.799 3.960 -0.000 0.000 0.310 1192 G C -0.889 174.100 174.900 0.149 0.000 1.279 1192 G CA -0.970 44.048 45.100 -0.136 0.000 0.974 1192 G HN 0.483 nan 8.290 nan 0.000 0.484 1193 I N -0.150 120.631 120.570 0.351 0.000 3.023 1193 I HA 0.906 5.076 4.170 -0.000 0.000 0.312 1193 I C 0.521 176.918 176.117 0.465 0.000 1.056 1193 I CA -1.139 60.390 61.300 0.381 0.000 1.033 1193 I CB 1.395 39.598 38.000 0.337 0.000 1.233 1193 I HN 0.790 nan 8.210 nan 0.000 0.462 1194 G N 0.235 109.252 108.800 0.361 0.000 2.633 1194 G HA2 0.571 4.531 3.960 -0.000 0.000 0.299 1194 G HA3 0.571 4.531 3.960 -0.000 0.000 0.299 1194 G C -1.261 173.711 174.900 0.121 0.000 1.501 1194 G CA -0.458 44.776 45.100 0.223 0.000 0.887 1194 G HN 0.954 nan 8.290 nan 0.000 0.561 1195 G N -0.880 107.961 108.800 0.068 0.000 2.448 1195 G HA2 0.970 4.930 3.960 -0.000 0.000 0.324 1195 G HA3 0.970 4.930 3.960 -0.000 0.000 0.324 1195 G C -0.525 174.369 174.900 -0.010 0.000 1.203 1195 G CA 0.028 45.159 45.100 0.050 0.000 0.954 1195 G HN 1.746 nan 8.290 nan 0.000 0.480 1196 A N 0.909 123.714 122.820 -0.026 0.000 2.459 1196 A HA 0.739 5.059 4.320 -0.000 0.000 0.296 1196 A C -1.214 176.328 177.584 -0.070 0.000 1.039 1196 A CA -0.445 51.555 52.037 -0.061 0.000 0.698 1196 A CB 1.194 20.120 19.000 -0.123 0.000 1.261 1196 A HN 0.602 nan 8.150 nan 0.000 0.405 1197 I N 1.250 121.772 120.570 -0.081 0.000 2.797 1197 I HA 0.826 4.996 4.170 -0.000 0.000 0.307 1197 I C 0.435 176.442 176.117 -0.184 0.000 1.033 1197 I CA -0.316 60.876 61.300 -0.179 0.000 1.071 1197 I CB 2.267 40.206 38.000 -0.102 0.000 1.255 1197 I HN 0.857 nan 8.210 nan 0.000 0.445 1198 S N 1.789 117.323 115.700 -0.276 0.000 2.565 1198 S HA 0.829 5.299 4.470 -0.000 0.000 0.274 1198 S C -1.128 173.363 174.600 -0.181 0.000 1.144 1198 S CA -0.678 57.422 58.200 -0.167 0.000 0.849 1198 S CB 1.565 64.689 63.200 -0.128 0.000 1.103 1198 S HN 0.777 nan 8.310 nan 0.000 0.455 1199 S N 0.736 116.374 115.700 -0.103 0.000 2.562 1199 S HA 0.764 5.234 4.470 -0.000 0.000 0.274 1199 S C -1.590 172.961 174.600 -0.082 0.000 1.160 1199 S CA -0.417 57.717 58.200 -0.109 0.000 0.933 1199 S CB 1.295 64.448 63.200 -0.077 0.000 1.100 1199 S HN 1.141 nan 8.310 nan 0.000 0.468 1200 S N 3.134 118.758 115.700 -0.127 0.000 2.547 1200 S HA 0.527 4.997 4.470 -0.000 0.000 0.281 1200 S C -0.839 173.728 174.600 -0.054 0.000 1.118 1200 S CA -0.966 57.201 58.200 -0.055 0.000 0.947 1200 S CB 1.734 64.983 63.200 0.081 0.000 1.053 1200 S HN 0.738 nan 8.310 nan 0.000 0.482 1201 K N 1.823 122.221 120.400 -0.003 0.000 2.295 1201 K HA 0.229 4.549 4.320 -0.000 0.000 0.270 1201 K C -0.319 176.315 176.600 0.057 0.000 1.011 1201 K CA -0.114 56.178 56.287 0.008 0.000 0.953 1201 K CB 0.449 32.960 32.500 0.018 0.000 0.956 1201 K HN 0.574 nan 8.250 nan 0.000 0.477 1202 R N 1.946 122.481 120.500 0.058 0.000 2.460 1202 R HA 0.250 4.590 4.340 -0.000 0.000 0.303 1202 R C -0.302 176.065 176.300 0.111 0.000 0.968 1202 R CA -0.864 55.328 56.100 0.153 0.000 0.889 1202 R CB 1.008 31.392 30.300 0.139 0.000 1.123 1202 R HN 0.811 nan 8.270 nan 0.000 0.455 1203 T N -1.150 113.470 114.554 0.110 0.000 2.855 1203 T HA -0.031 4.318 4.350 -0.000 0.000 0.322 1203 T C 0.536 175.271 174.700 0.059 0.000 1.088 1203 T CA -0.391 61.750 62.100 0.067 0.000 1.104 1203 T CB 0.475 69.371 68.868 0.046 0.000 0.996 1203 T HN 0.456 nan 8.240 nan 0.000 0.549 1204 D N 1.200 121.629 120.400 0.048 0.000 2.263 1204 D HA 0.027 4.667 4.640 -0.000 0.000 0.208 1204 D C 2.194 178.520 176.300 0.044 0.000 0.971 1204 D CA 1.296 55.323 54.000 0.045 0.000 0.867 1204 D CB -0.616 40.208 40.800 0.041 0.000 0.929 1204 D HN 0.742 nan 8.370 nan 0.000 0.492 1205 A N 1.201 124.043 122.820 0.037 0.000 1.873 1205 A HA -0.211 4.109 4.320 -0.000 0.000 0.215 1205 A C 1.967 179.574 177.584 0.038 0.000 1.186 1205 A CA 1.312 53.367 52.037 0.029 0.000 0.616 1205 A CB -0.655 18.350 19.000 0.008 0.000 0.823 1205 A HN 0.358 nan 8.150 nan 0.000 0.442 1206 Q N -0.499 119.331 119.800 0.049 0.000 2.515 1206 Q HA 0.030 4.370 4.340 -0.000 0.000 0.212 1206 Q C -0.305 175.741 176.000 0.078 0.000 0.970 1206 Q CA 0.488 56.330 55.803 0.065 0.000 0.941 1206 Q CB -0.284 28.512 28.738 0.097 0.000 0.998 1206 Q HN 0.402 nan 8.270 nan 0.000 0.518 1207 N N 1.749 120.490 118.700 0.068 0.000 3.114 1207 N HA 0.070 4.810 4.740 -0.000 0.000 0.289 1207 N C -0.884 174.663 175.510 0.061 0.000 1.519 1207 N CA 0.194 53.285 53.050 0.067 0.000 1.026 1207 N CB 1.365 39.888 38.487 0.061 0.000 1.306 1207 N HN 0.294 nan 8.380 nan 0.000 0.495 1208 T N -2.723 111.872 114.554 0.068 0.000 3.954 1208 T HA 0.343 4.693 4.350 -0.000 0.000 0.226 1208 T C 0.702 175.445 174.700 0.072 0.000 1.049 1208 T CA 0.062 62.199 62.100 0.063 0.000 1.481 1208 T CB -0.055 68.847 68.868 0.057 0.000 0.853 1208 T HN 0.179 nan 8.240 nan 0.000 0.632 1209 A N 0.172 123.037 122.820 0.075 0.000 2.703 1209 A HA 0.010 4.330 4.320 -0.000 0.000 0.297 1209 A C 1.150 178.789 177.584 0.091 0.000 1.410 1209 A CA 1.382 53.464 52.037 0.074 0.000 1.041 1209 A CB -2.117 16.912 19.000 0.048 0.000 0.893 1209 A HN 2.013 nan 8.150 nan 0.000 0.561 1210 A N -1.318 121.578 122.820 0.126 0.000 2.302 1210 A HA 0.608 4.928 4.320 -0.000 0.000 0.285 1210 A C 1.077 178.866 177.584 0.341 0.000 1.105 1210 A CA 0.065 52.232 52.037 0.217 0.000 0.816 1210 A CB 0.057 19.186 19.000 0.216 0.000 1.067 1210 A HN 1.142 nan 8.150 nan 0.000 0.489 1211 Y N 0.653 120.985 120.300 0.053 0.000 2.143 1211 Y HA -0.304 4.245 4.550 -0.000 0.000 0.226 1211 Y C 0.856 176.818 175.900 0.104 0.000 1.288 1211 Y CA 1.709 59.860 58.100 0.084 0.000 0.998 1211 Y CB -2.082 36.436 38.460 0.096 0.000 0.792 1211 Y HN 0.737 nan 8.280 nan 0.000 0.532 1212 I N -4.587 116.115 120.570 0.218 0.000 2.741 1212 I HA 0.653 4.823 4.170 -0.000 0.000 0.288 1212 I C -0.227 175.972 176.117 0.137 0.000 1.482 1212 I CA -0.713 60.697 61.300 0.183 0.000 1.050 1212 I CB 2.040 40.180 38.000 0.234 0.000 1.388 1212 I HN 0.476 nan 8.210 nan 0.000 0.428 1213 G N 2.178 111.052 108.800 0.122 0.000 2.781 1213 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.468 1213 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.468 1213 G C -0.778 174.174 174.900 0.086 0.000 1.186 1213 G CA -0.374 44.787 45.100 0.101 0.000 1.220 1213 G HN 1.056 nan 8.290 nan 0.000 0.564 1214 N N 1.013 119.759 118.700 0.078 0.000 2.543 1214 N HA 0.416 5.155 4.740 -0.000 0.000 0.289 1214 N C 1.187 176.733 175.510 0.059 0.000 1.223 1214 N CA 0.634 53.722 53.050 0.063 0.000 1.080 1214 N CB 0.314 38.834 38.487 0.054 0.000 1.450 1214 N HN 1.538 nan 8.380 nan 0.000 0.501 1215 G N 1.890 110.727 108.800 0.060 0.000 2.865 1215 G HA2 0.075 4.034 3.960 -0.000 0.000 0.292 1215 G HA3 0.075 4.034 3.960 -0.000 0.000 0.292 1215 G C 0.595 175.514 174.900 0.031 0.000 0.800 1215 G CA -0.460 44.671 45.100 0.051 0.000 1.838 1215 G HN 0.621 nan 8.290 nan 0.000 0.535 1216 D N 2.340 122.751 120.400 0.019 0.000 2.128 1216 D HA 0.038 4.678 4.640 -0.000 0.000 0.213 1216 D C 1.365 177.657 176.300 -0.014 0.000 0.983 1216 D CA 0.772 54.777 54.000 0.009 0.000 0.889 1216 D CB 0.388 41.193 40.800 0.009 0.000 1.018 1216 D HN 0.332 nan 8.370 nan 0.000 0.448 1217 R N -0.715 119.764 120.500 -0.035 0.000 2.691 1217 R HA 0.765 5.105 4.340 -0.000 0.000 0.259 1217 R C -0.547 175.653 176.300 -0.167 0.000 1.048 1217 R CA -0.710 55.341 56.100 -0.082 0.000 1.086 1217 R CB 1.684 31.947 30.300 -0.061 0.000 1.166 1217 R HN 0.117 nan 8.270 nan 0.000 0.526 1218 A N 0.891 123.506 122.820 -0.341 0.000 2.318 1218 A HA 0.457 4.777 4.320 -0.000 0.000 0.324 1218 A C -1.005 176.409 177.584 -0.283 0.000 1.170 1218 A CA -0.581 51.170 52.037 -0.477 0.000 0.810 1218 A CB 0.747 19.015 19.000 -1.220 0.000 1.198 1218 A HN 0.688 nan 8.150 nan 0.000 0.484 1219 E N 1.205 121.354 120.200 -0.085 0.000 2.246 1219 E HA 0.518 4.867 4.350 -0.000 0.000 0.266 1219 E C -0.903 175.704 176.600 0.012 0.000 0.880 1219 E CA -0.611 55.774 56.400 -0.024 0.000 0.762 1219 E CB 2.293 32.102 29.700 0.181 0.000 1.180 1219 E HN 0.734 nan 8.360 nan 0.000 0.416 1220 T N -0.251 114.180 114.554 -0.204 0.000 2.876 1220 T HA 0.618 4.968 4.350 -0.000 0.000 0.289 1220 T C -1.059 173.436 174.700 -0.342 0.000 1.014 1220 T CA -0.645 61.378 62.100 -0.128 0.000 0.986 1220 T CB 0.770 69.577 68.868 -0.103 0.000 1.021 1220 T HN 0.300 nan 8.240 nan 0.000 0.458 1221 Y N 0.554 120.866 120.300 0.020 0.000 2.354 1221 Y HA 0.663 5.213 4.550 -0.000 0.000 0.330 1221 Y C 0.291 176.192 175.900 0.002 0.000 1.011 1221 Y CA -0.736 57.388 58.100 0.040 0.000 1.099 1221 Y CB 2.697 41.217 38.460 0.100 0.000 1.179 1221 Y HN 0.953 nan 8.280 nan 0.000 0.442 1222 T N 2.090 116.706 114.554 0.102 0.000 2.971 1222 T HA 0.771 5.121 4.350 -0.000 0.000 0.304 1222 T C -0.650 174.099 174.700 0.082 0.000 1.038 1222 T CA -0.483 61.645 62.100 0.046 0.000 1.007 1222 T CB 0.896 69.730 68.868 -0.056 0.000 1.055 1222 T HN 0.905 nan 8.240 nan 0.000 0.451 1223 G N 1.431 110.316 108.800 0.142 0.000 2.524 1223 G HA2 0.765 4.725 3.960 -0.000 0.000 0.310 1223 G HA3 0.765 4.725 3.960 -0.000 0.000 0.310 1223 G C -0.433 174.586 174.900 0.198 0.000 1.279 1223 G CA -0.594 44.610 45.100 0.174 0.000 0.974 1223 G HN 1.000 nan 8.290 nan 0.000 0.484 1224 G N -0.619 108.319 108.800 0.229 0.000 2.696 1224 G HA2 0.616 4.576 3.960 -0.000 0.000 0.295 1224 G HA3 0.616 4.576 3.960 -0.000 0.000 0.295 1224 G C -2.097 173.049 174.900 0.409 0.000 1.398 1224 G CA -0.564 44.734 45.100 0.330 0.000 0.920 1224 G HN 0.642 nan 8.290 nan 0.000 0.492 1225 L N 0.703 122.115 121.223 0.315 0.000 2.408 1225 L HA 0.826 5.166 4.340 -0.000 0.000 0.268 1225 L C -0.266 176.564 176.870 -0.067 0.000 0.986 1225 L CA -0.718 54.212 54.840 0.149 0.000 0.820 1225 L CB 2.269 44.417 42.059 0.149 0.000 1.303 1225 L HN 0.870 nan 8.230 nan 0.000 0.411 1226 K N 2.272 122.509 120.400 -0.271 0.000 2.575 1226 K HA 0.567 4.887 4.320 -0.000 0.000 0.279 1226 K C -2.196 174.075 176.600 -0.549 0.000 0.969 1226 K CA -0.863 55.108 56.287 -0.527 0.000 0.868 1226 K CB 2.038 33.954 32.500 -0.973 0.000 1.457 1226 K HN 0.355 nan 8.250 nan 0.000 0.426 1227 Y N 1.688 121.525 120.300 -0.772 0.000 2.332 1227 Y HA 0.413 4.963 4.550 -0.000 0.000 0.325 1227 Y C -2.118 173.276 175.900 -0.842 0.000 1.054 1227 Y CA -0.720 56.875 58.100 -0.842 0.000 1.119 1227 Y CB 1.949 39.978 38.460 -0.717 0.000 1.168 1227 Y HN 0.862 nan 8.280 nan 0.000 0.439 1228 D N 5.209 124.600 120.400 -1.683 0.000 2.336 1228 D HA 0.718 5.357 4.640 -0.000 0.000 0.248 1228 D C -1.632 174.132 176.300 -0.894 0.000 1.326 1228 D CA 0.164 53.483 54.000 -1.135 0.000 0.973 1228 D CB 0.794 41.100 40.800 -0.823 0.000 1.255 1228 D HN 0.864 nan 8.370 nan 0.000 0.558 1229 A N 3.177 125.548 122.820 -0.749 0.000 2.586 1229 A HA 0.532 4.852 4.320 -0.000 0.000 0.298 1229 A C -0.791 176.631 177.584 -0.270 0.000 1.013 1229 A CA -0.785 50.973 52.037 -0.465 0.000 0.707 1229 A CB 0.242 18.950 19.000 -0.486 0.000 1.276 1229 A HN 0.540 nan 8.150 nan 0.000 0.414 1230 N N 2.844 121.433 118.700 -0.186 0.000 2.629 1230 N HA -0.240 4.500 4.740 -0.000 0.000 0.278 1230 N C 0.554 175.931 175.510 -0.222 0.000 1.102 1230 N CA 1.023 53.993 53.050 -0.134 0.000 0.759 1230 N CB -1.110 37.360 38.487 -0.029 0.000 0.911 1230 N HN 0.878 nan 8.380 nan 0.000 0.553 1231 N N -2.434 116.052 118.700 -0.355 0.000 2.848 1231 N HA -0.267 4.472 4.740 -0.000 0.000 0.236 1231 N C -0.317 174.750 175.510 -0.738 0.000 0.951 1231 N CA 1.578 54.222 53.050 -0.678 0.000 1.021 1231 N CB -0.773 37.073 38.487 -1.068 0.000 1.090 1231 N HN 0.611 nan 8.380 nan 0.000 0.611 1232 I N 0.939 121.316 120.570 -0.320 0.000 2.365 1232 I HA 0.145 4.315 4.170 -0.000 0.000 0.291 1232 I C -0.140 175.925 176.117 -0.086 0.000 1.004 1232 I CA -0.500 60.757 61.300 -0.072 0.000 1.311 1232 I CB 0.691 38.782 38.000 0.152 0.000 1.401 1232 I HN 0.005 nan 8.210 nan 0.000 0.491 1233 Y N 7.416 127.624 120.300 -0.153 0.000 2.328 1233 Y HA 0.493 5.043 4.550 -0.000 0.000 0.333 1233 Y C -1.275 174.581 175.900 -0.073 0.000 0.958 1233 Y CA -0.810 57.193 58.100 -0.163 0.000 1.167 1233 Y CB 0.982 39.335 38.460 -0.178 0.000 1.151 1233 Y HN 0.361 nan 8.280 nan 0.000 0.470 1234 L N 5.511 126.528 121.223 -0.344 0.000 2.341 1234 L HA 0.911 5.251 4.340 -0.000 0.000 0.278 1234 L C -0.821 175.790 176.870 -0.433 0.000 1.005 1234 L CA -0.756 53.965 54.840 -0.198 0.000 0.818 1234 L CB 1.454 43.487 42.059 -0.043 0.000 1.259 1234 L HN 0.766 nan 8.230 nan 0.000 0.418 1235 A N 2.587 125.328 122.820 -0.132 0.000 2.608 1235 A HA 0.991 5.311 4.320 -0.000 0.000 0.292 1235 A C -1.695 175.909 177.584 0.032 0.000 1.066 1235 A CA -0.004 51.985 52.037 -0.081 0.000 0.676 1235 A CB 1.583 20.549 19.000 -0.057 0.000 1.277 1235 A HN 0.992 nan 8.150 nan 0.000 0.413 1236 A N 0.598 123.447 122.820 0.049 0.000 2.539 1236 A HA 0.881 5.201 4.320 -0.000 0.000 0.296 1236 A C -1.224 176.425 177.584 0.108 0.000 1.073 1236 A CA -0.492 51.565 52.037 0.033 0.000 0.700 1236 A CB 1.998 21.065 19.000 0.112 0.000 1.296 1236 A HN 1.272 nan 8.150 nan 0.000 0.405 1237 Q N 0.773 120.589 119.800 0.028 0.000 2.284 1237 Q HA 0.501 4.841 4.340 -0.000 0.000 0.269 1237 Q C -2.625 173.440 176.000 0.110 0.000 1.026 1237 Q CA -0.429 55.431 55.803 0.096 0.000 0.831 1237 Q CB 2.007 30.775 28.738 0.051 0.000 1.322 1237 Q HN 0.998 nan 8.270 nan 0.000 0.419 1238 Y N 1.876 122.247 120.300 0.118 0.000 2.396 1238 Y HA 0.606 5.156 4.550 -0.000 0.000 0.332 1238 Y C -1.657 174.334 175.900 0.153 0.000 1.034 1238 Y CA -0.229 57.993 58.100 0.203 0.000 1.057 1238 Y CB 2.098 40.767 38.460 0.347 0.000 1.220 1238 Y HN 0.614 nan 8.280 nan 0.000 0.440 1239 T N 5.937 119.947 114.554 -0.907 0.000 3.041 1239 T HA 0.502 4.852 4.350 -0.000 0.000 0.321 1239 T C -1.911 172.465 174.700 -0.540 0.000 1.184 1239 T CA -0.637 61.139 62.100 -0.541 0.000 1.050 1239 T CB 1.313 70.063 68.868 -0.195 0.000 1.159 1239 T HN 0.829 nan 8.240 nan 0.000 0.469 1240 Q N 2.023 121.669 119.800 -0.257 0.000 2.365 1240 Q HA 0.780 5.120 4.340 -0.000 0.000 0.269 1240 Q C -0.755 175.226 176.000 -0.032 0.000 1.061 1240 Q CA -1.058 54.656 55.803 -0.148 0.000 0.816 1240 Q CB 2.071 30.759 28.738 -0.083 0.000 1.325 1240 Q HN 0.719 nan 8.270 nan 0.000 0.446 1241 T N -1.122 113.311 114.554 -0.202 0.000 2.924 1241 T HA 0.639 4.989 4.350 -0.000 0.000 0.291 1241 T C -1.141 173.266 174.700 -0.489 0.000 1.045 1241 T CA -0.618 61.391 62.100 -0.151 0.000 1.015 1241 T CB 0.951 69.770 68.868 -0.082 0.000 1.103 1241 T HN 0.539 nan 8.240 nan 0.000 0.496 1242 Y N 0.778 121.115 120.300 0.062 0.000 2.373 1242 Y HA 0.414 4.963 4.550 -0.000 0.000 0.336 1242 Y C 0.512 176.398 175.900 -0.022 0.000 0.979 1242 Y CA -0.980 57.144 58.100 0.041 0.000 1.080 1242 Y CB 1.582 40.084 38.460 0.070 0.000 1.190 1242 Y HN 0.809 nan 8.280 nan 0.000 0.446 1243 N N 1.339 120.089 118.700 0.085 0.000 2.708 1243 N HA -0.238 4.502 4.740 -0.000 0.000 0.249 1243 N C 0.219 175.701 175.510 -0.046 0.000 1.097 1243 N CA 1.122 54.189 53.050 0.028 0.000 0.710 1243 N CB -0.999 37.497 38.487 0.016 0.000 1.032 1243 N HN 0.795 nan 8.380 nan 0.000 0.551 1244 A N -1.914 120.902 122.820 -0.007 0.000 2.664 1244 A HA 0.193 4.513 4.320 -0.000 0.000 0.222 1244 A C 0.525 178.212 177.584 0.171 0.000 1.320 1244 A CA 0.209 52.273 52.037 0.046 0.000 1.029 1244 A CB 0.539 19.485 19.000 -0.091 0.000 1.318 1244 A HN 0.124 nan 8.150 nan 0.000 0.589 1245 T N 2.399 117.013 114.554 0.101 0.000 2.747 1245 T HA 0.285 4.635 4.350 -0.000 0.000 0.301 1245 T C 0.169 174.918 174.700 0.081 0.000 0.952 1245 T CA -0.339 61.819 62.100 0.096 0.000 0.983 1245 T CB 0.220 69.125 68.868 0.061 0.000 0.930 1245 T HN 0.340 nan 8.240 nan 0.000 0.494 1246 R N 2.063 122.605 120.500 0.071 0.000 2.494 1246 R HA 0.175 4.515 4.340 -0.000 0.000 0.291 1246 R C 0.132 176.424 176.300 -0.013 0.000 0.953 1246 R CA 0.109 56.215 56.100 0.010 0.000 1.098 1246 R CB -0.174 30.105 30.300 -0.034 0.000 0.911 1246 R HN 0.602 nan 8.270 nan 0.000 0.407 1247 V N 2.430 122.323 119.914 -0.034 0.000 2.250 1247 V HA 0.477 4.597 4.120 -0.000 0.000 0.268 1247 V C 0.965 176.972 176.094 -0.146 0.000 1.043 1247 V CA 0.392 62.659 62.300 -0.055 0.000 0.814 1247 V CB 0.780 32.612 31.823 0.017 0.000 1.072 1247 V HN 0.968 nan 8.190 nan 0.000 0.451 1248 G N 3.731 112.433 108.800 -0.162 0.000 2.556 1248 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.283 1248 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.283 1248 G C 0.980 175.760 174.900 -0.199 0.000 1.177 1248 G CA 1.011 45.994 45.100 -0.195 0.000 0.978 1248 G HN 2.221 nan 8.290 nan 0.000 0.554 1249 S N -0.184 115.364 115.700 -0.253 0.000 2.561 1249 S HA 0.567 5.037 4.470 -0.000 0.000 0.245 1249 S C 1.308 175.522 174.600 -0.643 0.000 1.001 1249 S CA 0.481 58.468 58.200 -0.355 0.000 1.002 1249 S CB 0.144 63.156 63.200 -0.314 0.000 0.805 1249 S HN 0.703 nan 8.310 nan 0.000 0.458 1250 L N 1.775 122.731 121.223 -0.445 0.000 2.685 1250 L HA 0.401 4.741 4.340 -0.000 0.000 0.233 1250 L C 1.488 178.241 176.870 -0.195 0.000 1.173 1250 L CA 0.288 54.891 54.840 -0.394 0.000 0.961 1250 L CB -0.629 41.419 42.059 -0.018 0.000 1.217 1250 L HN 0.728 nan 8.230 nan 0.000 0.478 1251 G N -0.441 108.226 108.800 -0.223 0.000 2.553 1251 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.242 1251 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.242 1251 G C -0.737 174.169 174.900 0.010 0.000 1.277 1251 G CA -0.186 44.880 45.100 -0.057 0.000 0.910 1251 G HN 0.159 nan 8.290 nan 0.000 0.576 1252 W N -0.448 120.896 121.300 0.073 0.000 2.615 1252 W HA 0.765 5.425 4.660 -0.000 0.000 0.423 1252 W C 0.521 177.099 176.519 0.098 0.000 1.666 1252 W CA -0.041 57.361 57.345 0.096 0.000 1.717 1252 W CB 0.954 30.504 29.460 0.149 0.000 1.696 1252 W HN 1.217 nan 8.180 nan 0.000 0.701 1253 A N 0.650 123.522 122.820 0.088 0.000 2.310 1253 A HA 0.357 4.676 4.320 -0.000 0.000 0.304 1253 A C 0.264 177.887 177.584 0.064 0.000 1.231 1253 A CA -0.592 51.495 52.037 0.083 0.000 0.799 1253 A CB 0.122 19.163 19.000 0.068 0.000 1.162 1253 A HN 0.798 nan 8.150 nan 0.000 0.486 1254 N N 1.208 119.957 118.700 0.082 0.000 2.049 1254 N HA -0.191 4.549 4.740 -0.000 0.000 0.198 1254 N C 0.844 176.392 175.510 0.064 0.000 1.030 1254 N CA 1.942 55.044 53.050 0.088 0.000 0.870 1254 N CB 0.010 38.558 38.487 0.101 0.000 1.045 1254 N HN 0.707 nan 8.380 nan 0.000 0.434 1255 K N -0.341 120.060 120.400 0.003 0.000 2.340 1255 K HA 0.727 5.047 4.320 -0.000 0.000 0.244 1255 K C -1.907 174.619 176.600 -0.122 0.000 0.973 1255 K CA -0.837 55.356 56.287 -0.158 0.000 0.828 1255 K CB 1.916 34.372 32.500 -0.073 0.000 1.226 1255 K HN 0.055 nan 8.250 nan 0.000 0.437 1256 A N 2.543 125.254 122.820 -0.182 0.000 2.555 1256 A HA 0.347 4.667 4.320 -0.000 0.000 0.297 1256 A C -1.884 175.654 177.584 -0.078 0.000 1.060 1256 A CA -0.713 51.279 52.037 -0.074 0.000 0.710 1256 A CB 1.780 20.762 19.000 -0.030 0.000 1.282 1256 A HN 0.662 nan 8.150 nan 0.000 0.399 1257 Q N 1.516 121.320 119.800 0.006 0.000 2.333 1257 Q HA 0.469 4.809 4.340 -0.000 0.000 0.265 1257 Q C -0.998 175.054 176.000 0.085 0.000 0.989 1257 Q CA -0.647 55.192 55.803 0.060 0.000 0.842 1257 Q CB 1.773 30.651 28.738 0.233 0.000 1.262 1257 Q HN 0.701 nan 8.270 nan 0.000 0.451 1258 N N 2.594 121.277 118.700 -0.028 0.000 2.392 1258 N HA 0.455 5.195 4.740 -0.000 0.000 0.283 1258 N C -1.533 174.051 175.510 0.123 0.000 1.003 1258 N CA -0.298 52.778 53.050 0.043 0.000 0.892 1258 N CB 1.543 40.033 38.487 0.007 0.000 1.193 1258 N HN 0.408 nan 8.380 nan 0.000 0.487 1259 F N 0.854 120.885 119.950 0.135 0.000 2.563 1259 F HA 0.461 4.988 4.527 -0.000 0.000 0.316 1259 F C -0.894 174.980 175.800 0.124 0.000 1.076 1259 F CA -0.661 57.488 58.000 0.249 0.000 0.921 1259 F CB 1.649 40.847 39.000 0.330 0.000 1.209 1259 F HN 0.377 nan 8.300 nan 0.000 0.462 1260 E N 4.078 123.648 120.200 -1.049 0.000 2.428 1260 E HA 0.570 4.919 4.350 -0.000 0.000 0.307 1260 E C -1.755 174.507 176.600 -0.563 0.000 0.902 1260 E CA -0.697 55.361 56.400 -0.569 0.000 0.799 1260 E CB 1.587 31.144 29.700 -0.238 0.000 1.351 1260 E HN 0.720 nan 8.360 nan 0.000 0.392 1261 A N 2.381 125.008 122.820 -0.322 0.000 2.356 1261 A HA 0.760 5.080 4.320 -0.000 0.000 0.310 1261 A C -0.999 176.609 177.584 0.040 0.000 1.075 1261 A CA -0.576 51.403 52.037 -0.096 0.000 0.746 1261 A CB 1.564 20.612 19.000 0.079 0.000 1.221 1261 A HN 0.307 nan 8.150 nan 0.000 0.443 1262 V N 1.131 121.093 119.914 0.080 0.000 2.680 1262 V HA 0.833 4.953 4.120 -0.000 0.000 0.309 1262 V C 0.027 176.212 176.094 0.151 0.000 1.052 1262 V CA 0.030 62.402 62.300 0.119 0.000 0.908 1262 V CB 1.921 33.828 31.823 0.141 0.000 1.001 1262 V HN 1.454 nan 8.190 nan 0.000 0.431 1263 A N 4.860 127.762 122.820 0.137 0.000 2.374 1263 A HA 0.890 5.210 4.320 -0.000 0.000 0.305 1263 A C -0.937 176.728 177.584 0.136 0.000 1.053 1263 A CA -0.574 51.549 52.037 0.142 0.000 0.726 1263 A CB 1.582 20.646 19.000 0.108 0.000 1.229 1263 A HN 0.788 nan 8.150 nan 0.000 0.431 1264 Q N 0.138 120.032 119.800 0.157 0.000 2.495 1264 Q HA 0.614 4.954 4.340 -0.000 0.000 0.287 1264 Q C -1.934 174.131 176.000 0.108 0.000 1.078 1264 Q CA -0.739 55.130 55.803 0.110 0.000 0.793 1264 Q CB 2.712 31.475 28.738 0.042 0.000 1.459 1264 Q HN 0.722 nan 8.270 nan 0.000 0.422 1265 Y N 0.797 121.034 120.300 -0.105 0.000 2.421 1265 Y HA 0.305 4.854 4.550 -0.000 0.000 0.339 1265 Y C -1.321 174.368 175.900 -0.351 0.000 0.996 1265 Y CA -0.745 57.209 58.100 -0.244 0.000 1.046 1265 Y CB 2.173 40.418 38.460 -0.358 0.000 1.226 1265 Y HN 0.583 nan 8.280 nan 0.000 0.445 1266 Q N 5.378 124.712 119.800 -0.776 0.000 2.390 1266 Q HA 0.376 4.716 4.340 -0.000 0.000 0.249 1266 Q C -1.966 173.755 176.000 -0.465 0.000 0.996 1266 Q CA -0.102 55.411 55.803 -0.482 0.000 0.899 1266 Q CB 0.098 28.605 28.738 -0.386 0.000 1.216 1266 Q HN 0.523 nan 8.270 nan 0.000 0.465 1267 F N 2.735 122.603 119.950 -0.137 0.000 2.399 1267 F HA 0.124 4.651 4.527 -0.000 0.000 0.342 1267 F C 1.486 177.168 175.800 -0.197 0.000 1.106 1267 F CA -0.164 57.758 58.000 -0.131 0.000 1.196 1267 F CB 0.863 39.612 39.000 -0.418 0.000 1.163 1267 F HN 0.694 nan 8.300 nan 0.000 0.547 1268 D N 2.507 123.047 120.400 0.233 0.000 2.191 1268 D HA -0.331 4.309 4.640 -0.000 0.000 0.190 1268 D C 1.699 178.103 176.300 0.173 0.000 1.007 1268 D CA 2.164 56.277 54.000 0.188 0.000 0.865 1268 D CB -0.835 40.135 40.800 0.283 0.000 0.929 1268 D HN 0.587 nan 8.370 nan 0.000 0.447 1269 F N -1.073 118.978 119.950 0.169 0.000 2.743 1269 F HA 0.521 5.048 4.527 -0.000 0.000 0.297 1269 F C 1.708 177.550 175.800 0.071 0.000 1.131 1269 F CA 0.154 58.225 58.000 0.118 0.000 1.426 1269 F CB 0.340 39.413 39.000 0.121 0.000 1.116 1269 F HN 0.197 nan 8.300 nan 0.000 0.583 1270 G N 0.454 108.979 108.800 -0.458 0.000 2.485 1270 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.181 1270 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.181 1270 G C -0.513 174.116 174.900 -0.451 0.000 0.999 1270 G CA -0.169 44.665 45.100 -0.443 0.000 0.721 1270 G HN 0.427 nan 8.290 nan 0.000 0.486 1271 L N 1.145 122.106 121.223 -0.437 0.000 2.379 1271 L HA 0.940 5.280 4.340 -0.000 0.000 0.269 1271 L C 0.348 177.259 176.870 0.067 0.000 1.084 1271 L CA -0.767 54.040 54.840 -0.055 0.000 0.802 1271 L CB 1.297 43.407 42.059 0.084 0.000 1.175 1271 L HN 0.273 nan 8.230 nan 0.000 0.448 1272 R N 3.859 124.420 120.500 0.102 0.000 3.107 1272 R HA 0.429 4.769 4.340 -0.000 0.000 0.251 1272 R C -2.871 173.488 176.300 0.099 0.000 1.818 1272 R CA -1.142 55.008 56.100 0.084 0.000 1.228 1272 R CB 1.022 31.359 30.300 0.061 0.000 1.459 1272 R HN 0.413 nan 8.270 nan 0.000 0.520 1273 P HA 0.084 nan 4.420 nan 0.000 0.271 1273 P C -0.898 176.468 177.300 0.110 0.000 1.216 1273 P CA 0.029 63.220 63.100 0.151 0.000 0.776 1273 P CB 1.458 33.277 31.700 0.199 0.000 0.881 1274 S N 3.358 119.123 115.700 0.108 0.000 2.600 1274 S HA 0.744 5.214 4.470 -0.000 0.000 0.300 1274 S C -1.221 173.447 174.600 0.113 0.000 1.087 1274 S CA -0.773 57.485 58.200 0.097 0.000 0.965 1274 S CB 1.118 64.361 63.200 0.072 0.000 1.089 1274 S HN 0.407 nan 8.310 nan 0.000 0.496 1275 L N 1.514 122.803 121.223 0.110 0.000 2.431 1275 L HA 0.847 5.187 4.340 -0.000 0.000 0.266 1275 L C -1.217 175.722 176.870 0.115 0.000 0.978 1275 L CA -0.424 54.483 54.840 0.113 0.000 0.822 1275 L CB 1.514 43.635 42.059 0.104 0.000 1.310 1275 L HN 1.201 nan 8.230 nan 0.000 0.409 1276 A N 4.017 126.909 122.820 0.121 0.000 2.574 1276 A HA 0.623 4.943 4.320 -0.000 0.000 0.297 1276 A C -2.485 175.176 177.584 0.128 0.000 1.062 1276 A CA -0.444 51.660 52.037 0.111 0.000 0.686 1276 A CB 1.715 20.762 19.000 0.079 0.000 1.285 1276 A HN 0.724 nan 8.150 nan 0.000 0.403 1277 Y N 1.913 122.200 120.300 -0.023 0.000 2.485 1277 Y HA 0.772 5.321 4.550 -0.000 0.000 0.345 1277 Y C -1.273 174.531 175.900 -0.160 0.000 0.998 1277 Y CA -1.043 57.025 58.100 -0.053 0.000 1.059 1277 Y CB 1.454 39.962 38.460 0.079 0.000 1.234 1277 Y HN 0.605 nan 8.280 nan 0.000 0.461 1278 L N 5.856 126.463 121.223 -1.027 0.000 2.482 1278 L HA 0.459 4.799 4.340 -0.000 0.000 0.263 1278 L C -1.195 175.104 176.870 -0.951 0.000 0.957 1278 L CA -0.734 53.603 54.840 -0.837 0.000 0.836 1278 L CB 1.946 43.500 42.059 -0.842 0.000 1.324 1278 L HN 0.844 nan 8.230 nan 0.000 0.406 1279 Q N 1.113 120.670 119.800 -0.405 0.000 2.565 1279 Q HA 0.721 5.061 4.340 -0.000 0.000 0.294 1279 Q C -1.662 174.329 176.000 -0.015 0.000 1.005 1279 Q CA -0.721 54.957 55.803 -0.208 0.000 0.771 1279 Q CB 2.636 31.322 28.738 -0.087 0.000 1.486 1279 Q HN 0.465 nan 8.270 nan 0.000 0.422 1280 S N 0.605 116.312 115.700 0.012 0.000 2.776 1280 S HA 0.402 4.872 4.470 -0.000 0.000 0.284 1280 S C -1.587 173.049 174.600 0.060 0.000 1.160 1280 S CA -0.630 57.599 58.200 0.049 0.000 1.051 1280 S CB 1.020 64.240 63.200 0.033 0.000 1.037 1280 S HN 0.454 nan 8.310 nan 0.000 0.485 1281 K N 3.384 123.827 120.400 0.072 0.000 2.281 1281 K HA 0.445 4.764 4.320 -0.000 0.000 0.272 1281 K C 0.232 176.852 176.600 0.033 0.000 1.048 1281 K CA -0.447 55.873 56.287 0.055 0.000 0.898 1281 K CB 0.818 33.361 32.500 0.072 0.000 1.128 1281 K HN 0.802 nan 8.250 nan 0.000 0.460 1282 G N 4.162 112.972 108.800 0.017 0.000 2.355 1282 G HA2 0.202 4.162 3.960 -0.000 0.000 0.276 1282 G HA3 0.202 4.162 3.960 -0.000 0.000 0.276 1282 G C -0.232 174.667 174.900 -0.002 0.000 1.198 1282 G CA -0.328 44.781 45.100 0.014 0.000 0.876 1282 G HN 0.317 nan 8.290 nan 0.000 0.478 1283 K N 1.312 121.715 120.400 0.005 0.000 2.123 1283 K HA 0.239 4.559 4.320 -0.000 0.000 0.248 1283 K C 0.596 177.212 176.600 0.028 0.000 0.969 1283 K CA -1.323 54.970 56.287 0.011 0.000 0.882 1283 K CB 0.983 33.491 32.500 0.012 0.000 1.080 1283 K HN 0.578 nan 8.250 nan 0.000 0.441 1284 N N 1.459 120.178 118.700 0.032 0.000 2.823 1284 N HA -0.223 4.516 4.740 -0.000 0.000 0.287 1284 N C -0.768 174.784 175.510 0.070 0.000 1.007 1284 N CA 0.421 53.500 53.050 0.047 0.000 0.840 1284 N CB -0.918 37.600 38.487 0.052 0.000 0.944 1284 N HN 0.439 nan 8.380 nan 0.000 0.590 1285 L N 0.001 121.276 121.223 0.087 0.000 2.475 1285 L HA 0.430 4.770 4.340 -0.000 0.000 0.253 1285 L C 1.949 178.916 176.870 0.162 0.000 1.198 1285 L CA -0.271 54.659 54.840 0.151 0.000 0.814 1285 L CB 0.229 42.422 42.059 0.222 0.000 1.134 1285 L HN 0.419 nan 8.230 nan 0.000 0.478 1286 G N -0.819 108.099 108.800 0.197 0.000 2.494 1286 G HA2 0.162 4.122 3.960 -0.000 0.000 0.270 1286 G HA3 0.162 4.122 3.960 -0.000 0.000 0.270 1286 G C 0.288 175.245 174.900 0.096 0.000 1.423 1286 G CA -0.443 44.740 45.100 0.139 0.000 1.055 1286 G HN 0.731 nan 8.290 nan 0.000 0.536 1287 R N -0.715 119.785 120.500 -0.000 0.000 3.516 1287 R HA -0.200 4.140 4.340 -0.000 0.000 0.271 1287 R C 0.955 177.015 176.300 -0.399 0.000 1.098 1287 R CA 1.616 57.640 56.100 -0.128 0.000 0.732 1287 R CB -1.634 28.647 30.300 -0.031 0.000 1.152 1287 R HN 2.523 nan 8.270 nan 0.000 0.455 1288 G N -1.043 107.612 108.800 -0.241 0.000 2.496 1288 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.243 1288 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.243 1288 G C 0.270 175.091 174.900 -0.132 0.000 1.176 1288 G CA 0.684 45.639 45.100 -0.241 0.000 0.940 1288 G HN 0.420 nan 8.290 nan 0.000 0.573 1289 Y N -0.793 119.518 120.300 0.018 0.000 2.723 1289 Y HA -0.263 4.287 4.550 -0.000 0.000 0.485 1289 Y C 1.973 177.794 175.900 -0.132 0.000 1.075 1289 Y CA 2.765 60.830 58.100 -0.058 0.000 3.005 1289 Y CB -2.047 36.411 38.460 -0.004 0.000 0.954 1289 Y HN 1.764 nan 8.280 nan 0.000 0.570 1290 D N -1.649 118.816 120.400 0.109 0.000 4.380 1290 D HA -0.177 4.463 4.640 -0.000 0.000 0.138 1290 D C -0.440 175.852 176.300 -0.013 0.000 0.807 1290 D CA 1.592 55.610 54.000 0.030 0.000 1.062 1290 D CB -1.324 39.479 40.800 0.004 0.000 0.585 1290 D HN 0.411 nan 8.370 nan 0.000 0.584 1291 D N 1.439 121.815 120.400 -0.040 0.000 2.210 1291 D HA 0.648 5.288 4.640 -0.000 0.000 0.249 1291 D C -0.360 175.857 176.300 -0.139 0.000 1.062 1291 D CA 0.377 54.342 54.000 -0.058 0.000 0.891 1291 D CB 1.532 42.316 40.800 -0.027 0.000 1.186 1291 D HN 0.272 nan 8.370 nan 0.000 0.432 1292 E N 0.610 120.699 120.200 -0.184 0.000 2.451 1292 E HA 0.173 4.523 4.350 -0.000 0.000 0.295 1292 E C -1.900 174.595 176.600 -0.175 0.000 0.966 1292 E CA -0.606 55.593 56.400 -0.334 0.000 0.808 1292 E CB 1.011 30.152 29.700 -0.931 0.000 1.242 1292 E HN 0.044 nan 8.360 nan 0.000 0.412 1293 D N 4.234 124.592 120.400 -0.070 0.000 2.339 1293 D HA 0.192 4.832 4.640 -0.000 0.000 0.256 1293 D C 1.060 177.451 176.300 0.151 0.000 1.214 1293 D CA 0.163 54.189 54.000 0.044 0.000 0.877 1293 D CB 0.759 41.590 40.800 0.052 0.000 1.111 1293 D HN 0.473 nan 8.370 nan 0.000 0.478 1294 I N 1.638 122.288 120.570 0.133 0.000 2.617 1294 I HA -0.011 4.159 4.170 -0.000 0.000 0.256 1294 I C 0.553 176.721 176.117 0.085 0.000 1.167 1294 I CA 0.557 61.944 61.300 0.145 0.000 1.469 1294 I CB 0.121 38.176 38.000 0.093 0.000 1.098 1294 I HN 0.186 nan 8.210 nan 0.000 0.436 1295 L N 0.298 121.562 121.223 0.067 0.000 2.703 1295 L HA 0.383 4.723 4.340 -0.000 0.000 0.257 1295 L C -1.222 175.652 176.870 0.007 0.000 0.923 1295 L CA -0.436 54.438 54.840 0.057 0.000 0.936 1295 L CB 1.617 43.703 42.059 0.046 0.000 1.482 1295 L HN -0.031 nan 8.230 nan 0.000 0.432 1296 K N 3.935 124.345 120.400 0.017 0.000 2.651 1296 K HA 0.645 4.965 4.320 -0.000 0.000 0.259 1296 K C -2.221 174.370 176.600 -0.016 0.000 1.017 1296 K CA -0.507 55.736 56.287 -0.073 0.000 0.897 1296 K CB 1.089 33.607 32.500 0.030 0.000 1.262 1296 K HN 0.587 nan 8.250 nan 0.000 0.460 1297 Y N -0.121 120.011 120.300 -0.281 0.000 2.521 1297 Y HA 0.530 5.080 4.550 -0.000 0.000 0.328 1297 Y C -1.787 174.011 175.900 -0.169 0.000 1.151 1297 Y CA -1.358 56.625 58.100 -0.195 0.000 1.054 1297 Y CB 0.910 39.245 38.460 -0.209 0.000 1.338 1297 Y HN 0.021 nan 8.280 nan 0.000 0.453 1298 V N 3.350 123.342 119.914 0.131 0.000 2.509 1298 V HA 0.244 4.364 4.120 -0.000 0.000 0.284 1298 V C -0.486 175.693 176.094 0.141 0.000 1.047 1298 V CA -0.149 62.230 62.300 0.131 0.000 0.952 1298 V CB 1.355 33.250 31.823 0.120 0.000 0.988 1298 V HN 0.828 nan 8.190 nan 0.000 0.469 1299 D N 3.675 124.170 120.400 0.158 0.000 2.193 1299 D HA 0.495 5.135 4.640 -0.000 0.000 0.244 1299 D C -1.082 175.281 176.300 0.106 0.000 1.064 1299 D CA -0.092 54.006 54.000 0.162 0.000 0.845 1299 D CB 2.010 42.986 40.800 0.293 0.000 1.148 1299 D HN 0.248 nan 8.370 nan 0.000 0.464 1300 V N 2.703 122.664 119.914 0.078 0.000 2.638 1300 V HA 0.880 5.000 4.120 -0.000 0.000 0.306 1300 V C 0.524 176.751 176.094 0.222 0.000 1.052 1300 V CA -0.267 62.115 62.300 0.137 0.000 0.885 1300 V CB 1.540 33.440 31.823 0.128 0.000 0.999 1300 V HN 0.781 nan 8.190 nan 0.000 0.424 1301 G N 2.959 111.880 108.800 0.202 0.000 2.451 1301 G HA2 0.895 4.855 3.960 -0.000 0.000 0.292 1301 G HA3 0.895 4.855 3.960 -0.000 0.000 0.292 1301 G C -1.505 173.498 174.900 0.172 0.000 1.427 1301 G CA 0.142 45.372 45.100 0.217 0.000 0.792 1301 G HN 1.393 nan 8.290 nan 0.000 0.498 1302 A N -0.998 121.923 122.820 0.169 0.000 2.608 1302 A HA 0.968 5.288 4.320 -0.000 0.000 0.292 1302 A C -0.519 177.144 177.584 0.132 0.000 1.066 1302 A CA 0.324 52.442 52.037 0.134 0.000 0.676 1302 A CB 1.581 20.662 19.000 0.135 0.000 1.277 1302 A HN 2.184 nan 8.150 nan 0.000 0.413 1303 T N -0.785 113.806 114.554 0.062 0.000 2.906 1303 T HA 0.682 5.032 4.350 -0.000 0.000 0.295 1303 T C -1.711 172.884 174.700 -0.176 0.000 1.061 1303 T CA -0.407 61.680 62.100 -0.021 0.000 1.000 1303 T CB 1.486 70.294 68.868 -0.101 0.000 1.103 1303 T HN 1.579 nan 8.240 nan 0.000 0.486 1304 Y N 3.054 123.086 120.300 -0.448 0.000 2.346 1304 Y HA 0.605 5.155 4.550 -0.000 0.000 0.332 1304 Y C -1.991 173.472 175.900 -0.728 0.000 0.985 1304 Y CA -1.445 56.361 58.100 -0.490 0.000 1.112 1304 Y CB 1.243 39.452 38.460 -0.420 0.000 1.170 1304 Y HN 0.734 nan 8.280 nan 0.000 0.447 1305 Y N 7.357 127.082 120.300 -0.959 0.000 2.425 1305 Y HA 0.217 4.767 4.550 -0.000 0.000 0.347 1305 Y C 0.494 175.891 175.900 -0.839 0.000 0.976 1305 Y CA -0.387 57.321 58.100 -0.652 0.000 1.190 1305 Y CB 0.272 38.525 38.460 -0.345 0.000 1.136 1305 Y HN 0.688 nan 8.280 nan 0.000 0.517 1306 F N 1.109 120.984 119.950 -0.125 0.000 2.095 1306 F HA -0.222 4.305 4.527 -0.000 0.000 0.298 1306 F C 0.934 176.755 175.800 0.034 0.000 1.104 1306 F CA 1.252 59.290 58.000 0.063 0.000 1.232 1306 F CB -0.314 38.799 39.000 0.187 0.000 0.987 1306 F HN 0.565 nan 8.300 nan 0.000 0.475 1307 N N -0.745 118.086 118.700 0.218 0.000 3.522 1307 N HA 0.198 4.938 4.740 -0.000 0.000 0.328 1307 N C -1.110 174.439 175.510 0.065 0.000 1.623 1307 N CA -1.073 52.042 53.050 0.109 0.000 0.812 1307 N CB 0.220 38.775 38.487 0.112 0.000 2.008 1307 N HN -0.074 nan 8.380 nan 0.000 0.601 1308 K N -0.985 119.416 120.400 0.001 0.000 3.001 1308 K HA 0.504 4.824 4.320 -0.000 0.000 0.257 1308 K C -0.430 176.143 176.600 -0.044 0.000 1.290 1308 K CA -0.046 56.209 56.287 -0.054 0.000 1.252 1308 K CB -0.432 32.003 32.500 -0.108 0.000 1.656 1308 K HN 0.490 nan 8.250 nan 0.000 0.351 1309 N N -0.175 118.514 118.700 -0.018 0.000 1.848 1309 N HA 0.130 4.870 4.740 -0.000 0.000 0.236 1309 N C -1.362 174.065 175.510 -0.138 0.000 1.427 1309 N CA 0.110 53.095 53.050 -0.109 0.000 0.732 1309 N CB 0.510 38.957 38.487 -0.067 0.000 1.067 1309 N HN 0.486 nan 8.380 nan 0.000 0.540 1310 M N 0.477 120.126 119.600 0.082 0.000 2.562 1310 M HA 0.511 4.991 4.480 -0.000 0.000 0.281 1310 M C -1.941 174.617 176.300 0.429 0.000 1.195 1310 M CA -0.072 55.363 55.300 0.226 0.000 0.888 1310 M CB 1.899 34.657 32.600 0.263 0.000 1.731 1310 M HN 0.126 nan 8.290 nan 0.000 0.493 1311 S N 0.125 116.142 115.700 0.528 0.000 2.707 1311 S HA 0.806 5.276 4.470 -0.000 0.000 0.270 1311 S C -1.250 173.593 174.600 0.404 0.000 1.031 1311 S CA -0.502 57.948 58.200 0.417 0.000 0.866 1311 S CB 0.932 64.183 63.200 0.086 0.000 1.114 1311 S HN 1.060 nan 8.310 nan 0.000 0.465 1312 T N -0.129 114.567 114.554 0.237 0.000 2.916 1312 T HA 0.897 5.247 4.350 -0.000 0.000 0.292 1312 T C -1.214 173.541 174.700 0.092 0.000 1.064 1312 T CA -0.821 61.361 62.100 0.137 0.000 1.011 1312 T CB 1.254 70.215 68.868 0.155 0.000 1.152 1312 T HN 1.606 nan 8.240 nan 0.000 0.510 1313 Y N -1.818 118.515 120.300 0.056 0.000 2.581 1313 Y HA 0.775 5.325 4.550 -0.000 0.000 0.337 1313 Y C -1.633 174.316 175.900 0.082 0.000 1.108 1313 Y CA -1.675 56.447 58.100 0.036 0.000 1.033 1313 Y CB 0.803 39.272 38.460 0.014 0.000 1.318 1313 Y HN 0.556 nan 8.280 nan 0.000 0.459 1314 V N 1.438 121.502 119.914 0.249 0.000 2.735 1314 V HA 0.685 4.805 4.120 -0.000 0.000 0.310 1314 V C -1.341 174.937 176.094 0.307 0.000 1.061 1314 V CA -0.489 61.948 62.300 0.227 0.000 0.913 1314 V CB 1.772 33.686 31.823 0.152 0.000 1.005 1314 V HN 0.838 nan 8.190 nan 0.000 0.428 1315 D N 1.351 121.962 120.400 0.351 0.000 2.927 1315 D HA 0.475 5.114 4.640 -0.000 0.000 0.219 1315 D C -2.071 174.563 176.300 0.557 0.000 1.248 1315 D CA -0.271 53.987 54.000 0.430 0.000 0.861 1315 D CB 2.226 43.255 40.800 0.381 0.000 1.677 1315 D HN 0.511 nan 8.370 nan 0.000 0.511 1316 Y N 2.728 123.186 120.300 0.264 0.000 2.373 1316 Y HA 0.314 4.864 4.550 -0.000 0.000 0.327 1316 Y C -1.121 174.737 175.900 -0.070 0.000 1.036 1316 Y CA -1.124 57.030 58.100 0.089 0.000 1.265 1316 Y CB 0.943 39.453 38.460 0.083 0.000 1.108 1316 Y HN 0.261 nan 8.280 nan 0.000 0.471 1317 K N 7.241 127.370 120.400 -0.451 0.000 2.250 1317 K HA 0.428 4.748 4.320 -0.000 0.000 0.285 1317 K C -1.021 175.225 176.600 -0.589 0.000 1.097 1317 K CA -0.168 55.705 56.287 -0.689 0.000 0.913 1317 K CB -0.006 31.771 32.500 -1.206 0.000 1.179 1317 K HN 0.727 nan 8.250 nan 0.000 0.462 1318 I N 4.501 124.738 120.570 -0.555 0.000 2.329 1318 I HA 0.005 4.175 4.170 -0.000 0.000 0.295 1318 I C 0.136 176.159 176.117 -0.156 0.000 1.109 1318 I CA -0.435 60.621 61.300 -0.407 0.000 1.297 1318 I CB 0.231 38.012 38.000 -0.364 0.000 1.433 1318 I HN 0.597 nan 8.210 nan 0.000 0.509 1319 N N 7.495 126.115 118.700 -0.133 0.000 2.420 1319 N HA 0.193 4.933 4.740 -0.000 0.000 0.249 1319 N C 0.270 175.781 175.510 0.003 0.000 1.033 1319 N CA -0.159 52.845 53.050 -0.077 0.000 0.944 1319 N CB 1.007 39.401 38.487 -0.154 0.000 1.113 1319 N HN 0.577 nan 8.380 nan 0.000 0.502 1320 L N 3.077 124.336 121.223 0.059 0.000 2.645 1320 L HA 0.167 4.507 4.340 -0.000 0.000 0.235 1320 L C 0.269 177.174 176.870 0.059 0.000 1.150 1320 L CA 0.131 55.009 54.840 0.063 0.000 0.911 1320 L CB -0.187 41.934 42.059 0.103 0.000 1.077 1320 L HN 0.406 nan 8.230 nan 0.000 0.438 1321 L N -0.396 120.857 121.223 0.050 0.000 2.357 1321 L HA 0.256 4.596 4.340 -0.000 0.000 0.273 1321 L C -0.180 176.719 176.870 0.049 0.000 1.080 1321 L CA -0.655 54.218 54.840 0.055 0.000 0.803 1321 L CB 0.822 42.915 42.059 0.058 0.000 1.174 1321 L HN -0.014 nan 8.230 nan 0.000 0.443 1322 D N 1.009 121.443 120.400 0.058 0.000 2.255 1322 D HA 0.098 4.738 4.640 -0.000 0.000 0.249 1322 D C -0.466 175.872 176.300 0.065 0.000 1.078 1322 D CA -0.425 53.608 54.000 0.054 0.000 0.896 1322 D CB 1.057 41.889 40.800 0.054 0.000 1.194 1322 D HN 0.353 nan 8.370 nan 0.000 0.429 1323 D N 1.576 122.007 120.400 0.052 0.000 2.586 1323 D HA 0.016 4.656 4.640 -0.000 0.000 0.234 1323 D C 0.087 176.435 176.300 0.079 0.000 1.132 1323 D CA 0.750 54.783 54.000 0.056 0.000 0.860 1323 D CB 0.253 41.079 40.800 0.043 0.000 1.159 1323 D HN 0.385 nan 8.370 nan 0.000 0.490 1324 N N 0.276 119.038 118.700 0.103 0.000 3.046 1324 N HA 0.150 4.890 4.740 -0.000 0.000 0.243 1324 N C 0.492 176.102 175.510 0.167 0.000 1.452 1324 N CA -0.614 52.519 53.050 0.138 0.000 0.882 1324 N CB 0.453 39.046 38.487 0.176 0.000 1.425 1324 N HN 0.240 nan 8.380 nan 0.000 0.517 1325 Q N -0.008 119.909 119.800 0.195 0.000 2.443 1325 Q HA -0.100 4.240 4.340 -0.000 0.000 0.213 1325 Q C 1.248 177.408 176.000 0.268 0.000 0.982 1325 Q CA 1.503 57.425 55.803 0.199 0.000 0.894 1325 Q CB -0.805 28.052 28.738 0.198 0.000 0.947 1325 Q HN 0.556 nan 8.270 nan 0.000 0.480 1326 F N 1.527 121.543 119.950 0.109 0.000 2.049 1326 F HA -0.102 4.424 4.527 -0.000 0.000 0.288 1326 F C 2.648 178.368 175.800 -0.133 0.000 1.141 1326 F CA 2.726 60.689 58.000 -0.061 0.000 1.165 1326 F CB -0.762 38.170 39.000 -0.113 0.000 1.012 1326 F HN 0.352 nan 8.300 nan 0.000 0.475 1327 T N -0.260 114.176 114.554 -0.196 0.000 2.469 1327 T HA -0.379 3.971 4.350 -0.000 0.000 0.254 1327 T C 2.125 176.672 174.700 -0.256 0.000 1.214 1327 T CA 1.897 63.817 62.100 -0.300 0.000 1.202 1327 T CB -1.152 67.694 68.868 -0.037 0.000 0.864 1327 T HN 0.400 nan 8.240 nan 0.000 0.408 1328 R N 1.445 121.888 120.500 -0.094 0.000 2.312 1328 R HA -0.306 4.034 4.340 -0.000 0.000 0.233 1328 R C 2.169 178.425 176.300 -0.073 0.000 1.097 1328 R CA 2.842 58.911 56.100 -0.051 0.000 0.864 1328 R CB -1.075 29.231 30.300 0.011 0.000 0.987 1328 R HN 0.599 nan 8.270 nan 0.000 0.405 1329 D N -0.795 119.568 120.400 -0.062 0.000 2.106 1329 D HA -0.195 4.445 4.640 -0.000 0.000 0.191 1329 D C 1.689 177.937 176.300 -0.086 0.000 0.997 1329 D CA 1.967 55.961 54.000 -0.009 0.000 0.834 1329 D CB -0.488 40.370 40.800 0.097 0.000 0.956 1329 D HN 0.556 nan 8.370 nan 0.000 0.448 1330 A N -0.248 122.383 122.820 -0.316 0.000 2.119 1330 A HA 0.304 4.623 4.320 -0.000 0.000 0.217 1330 A C 1.618 179.078 177.584 -0.207 0.000 1.153 1330 A CA 1.320 53.172 52.037 -0.309 0.000 0.692 1330 A CB -0.368 18.305 19.000 -0.545 0.000 0.799 1330 A HN 0.349 nan 8.150 nan 0.000 0.458 1331 G N -0.606 108.090 108.800 -0.174 0.000 2.326 1331 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.286 1331 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.286 1331 G C -0.160 174.662 174.900 -0.130 0.000 1.096 1331 G CA 0.211 45.243 45.100 -0.113 0.000 1.003 1331 G HN 0.437 nan 8.290 nan 0.000 0.503 1332 I N 0.308 120.783 120.570 -0.158 0.000 2.353 1332 I HA 0.187 4.357 4.170 -0.000 0.000 0.293 1332 I C 0.734 176.801 176.117 -0.084 0.000 0.992 1332 I CA -0.925 60.298 61.300 -0.128 0.000 1.268 1332 I CB 1.325 39.235 38.000 -0.150 0.000 1.387 1332 I HN 0.351 nan 8.210 nan 0.000 0.478 1333 N N 3.345 122.004 118.700 -0.070 0.000 2.492 1333 N HA 0.042 4.781 4.740 -0.000 0.000 0.260 1333 N C 0.623 176.099 175.510 -0.057 0.000 1.215 1333 N CA 0.406 53.420 53.050 -0.060 0.000 0.923 1333 N CB 0.919 39.366 38.487 -0.067 0.000 1.092 1333 N HN 0.736 nan 8.380 nan 0.000 0.448 1334 T N -1.717 112.811 114.554 -0.043 0.000 2.966 1334 T HA 0.172 4.522 4.350 -0.000 0.000 0.254 1334 T C -0.166 174.511 174.700 -0.037 0.000 0.961 1334 T CA -0.368 61.715 62.100 -0.028 0.000 0.915 1334 T CB -0.201 68.667 68.868 0.001 0.000 1.186 1334 T HN 0.403 nan 8.240 nan 0.000 0.505 1335 D N 3.316 123.693 120.400 -0.039 0.000 2.368 1335 D HA 0.161 4.801 4.640 -0.000 0.000 0.240 1335 D C 0.166 176.417 176.300 -0.082 0.000 1.169 1335 D CA -0.113 53.865 54.000 -0.036 0.000 0.906 1335 D CB 0.567 41.359 40.800 -0.013 0.000 1.187 1335 D HN 0.400 nan 8.370 nan 0.000 0.435 1336 N N 0.599 119.264 118.700 -0.058 0.000 2.267 1336 N HA 0.186 4.925 4.740 -0.000 0.000 0.226 1336 N C 0.115 175.578 175.510 -0.079 0.000 1.314 1336 N CA 0.363 53.361 53.050 -0.087 0.000 0.887 1336 N CB 0.816 39.334 38.487 0.052 0.000 1.120 1336 N HN 0.356 nan 8.380 nan 0.000 0.440 1337 I N -0.600 119.904 120.570 -0.111 0.000 2.918 1337 I HA 0.298 4.468 4.170 -0.000 0.000 0.301 1337 I C -0.923 175.254 176.117 0.100 0.000 1.312 1337 I CA -0.961 60.302 61.300 -0.062 0.000 1.007 1337 I CB 2.322 40.165 38.000 -0.263 0.000 1.281 1337 I HN 0.039 nan 8.210 nan 0.000 0.440 1338 V N 2.436 122.474 119.914 0.206 0.000 2.735 1338 V HA 0.837 4.957 4.120 -0.000 0.000 0.310 1338 V C -0.197 176.105 176.094 0.347 0.000 1.061 1338 V CA -0.584 61.906 62.300 0.317 0.000 0.913 1338 V CB 1.796 33.753 31.823 0.223 0.000 1.005 1338 V HN 0.840 nan 8.190 nan 0.000 0.428 1339 A N 4.514 127.553 122.820 0.366 0.000 2.337 1339 A HA 0.914 5.234 4.320 -0.000 0.000 0.329 1339 A C -1.090 176.703 177.584 0.348 0.000 1.146 1339 A CA -0.559 51.670 52.037 0.319 0.000 0.800 1339 A CB 1.189 20.277 19.000 0.148 0.000 1.220 1339 A HN 0.815 nan 8.150 nan 0.000 0.472 1340 L N 1.911 123.331 121.223 0.328 0.000 2.381 1340 L HA 0.750 5.089 4.340 -0.000 0.000 0.274 1340 L C 0.141 176.962 176.870 -0.081 0.000 0.988 1340 L CA -0.302 54.624 54.840 0.143 0.000 0.824 1340 L CB 2.167 44.397 42.059 0.284 0.000 1.263 1340 L HN 0.904 nan 8.230 nan 0.000 0.410 1341 G N 3.757 112.198 108.800 -0.599 0.000 2.667 1341 G HA2 0.590 4.550 3.960 -0.000 0.000 0.298 1341 G HA3 0.590 4.550 3.960 -0.000 0.000 0.298 1341 G C -2.368 172.166 174.900 -0.609 0.000 1.377 1341 G CA -0.421 44.187 45.100 -0.821 0.000 0.964 1341 G HN 0.286 nan 8.290 nan 0.000 0.493 1342 L N 1.903 123.010 121.223 -0.193 0.000 2.356 1342 L HA 0.825 5.165 4.340 -0.000 0.000 0.277 1342 L C -0.819 176.104 176.870 0.089 0.000 0.996 1342 L CA -1.132 53.707 54.840 -0.002 0.000 0.822 1342 L CB 1.707 43.779 42.059 0.021 0.000 1.256 1342 L HN 0.351 nan 8.230 nan 0.000 0.413 1343 V N 5.180 125.203 119.914 0.182 0.000 2.760 1343 V HA 0.427 4.547 4.120 -0.000 0.000 0.309 1343 V C -1.384 174.844 176.094 0.224 0.000 1.077 1343 V CA -0.813 61.603 62.300 0.193 0.000 0.910 1343 V CB 1.812 33.772 31.823 0.229 0.000 1.008 1343 V HN 0.668 nan 8.190 nan 0.000 0.424 1344 Y N 4.780 125.134 120.300 0.091 0.000 2.341 1344 Y HA 0.705 5.255 4.550 -0.000 0.000 0.338 1344 Y C -0.273 175.705 175.900 0.130 0.000 0.965 1344 Y CA -0.326 57.838 58.100 0.106 0.000 1.108 1344 Y CB 1.581 40.086 38.460 0.074 0.000 1.180 1344 Y HN 0.725 nan 8.280 nan 0.000 0.458 1345 Q N 6.739 126.136 119.800 -0.671 0.000 2.359 1345 Q HA 0.446 4.786 4.340 -0.000 0.000 0.274 1345 Q C -1.840 173.933 176.000 -0.378 0.000 1.074 1345 Q CA -0.787 54.820 55.803 -0.326 0.000 0.810 1345 Q CB 2.837 31.485 28.738 -0.150 0.000 1.342 1345 Q HN 0.700 nan 8.270 nan 0.000 0.427 1346 F N 0.000 119.857 119.950 -0.154 0.000 2.286 1346 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 1346 F CA 0.000 57.990 58.000 -0.017 0.000 1.383 1346 F CB 0.000 39.104 39.000 0.173 0.000 1.145 1346 F HN 0.000 nan 8.300 nan 0.000 0.574