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 3o8k_1_A DATA FIRST_RESID 1007 DATA SEQUENCE AEAVQIQFGL INCGNKYLTA EAFGFKVNAS ASSLKKKQIW TLEQPPXXXX DATA SEQUENCE SAAVCLRSHL GRYLAADKDG NVTCEREVPG PDCRFLIVAH DDGRWSLQSE DATA SEQUENCE AHRRYFGGTE DRLSCFAQTV SPAEKWSVHI AMHPQVNIYS VTRKRYAHLS DATA SEQUENCE ARPADEIAVD RDVPWGVDSL ITLAFQDQRY SVQTADHRFL RHDGRLVARP DATA SEQUENCE EPATGYTLEF RSGKVAFRDC EGRYLAPSGP SGTLKAGKAT KVGKDELFAL DATA SEQUENCE EQSCAQVVLQ AANERNVSTR QGMDLSANQD EETDQETFQL EIDRDTKKCA DATA SEQUENCE FRTHTGKYWT LTATGGVQST ASSKNASCYF DIEWRDRRIT LRASNGKFVT DATA SEQUENCE SKKNGQLAAS VETAGDSELF LMKLINRPII VFRGEHGFIG CRKVTGTLDA DATA SEQUENCE NRSSYDVFQL EFNDGAYNIK DSTGKYWTVG SDSAVTSSGD TPVDFFFEFC DATA SEQUENCE DYNKVAIKVG GRYLKGDHAG VLKASAETVD PASLWEY 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 1007 A HA 0.000 nan 4.320 nan 0.000 0.244 1007 A C 0.000 177.610 177.584 0.043 0.000 1.274 1007 A CA 0.000 52.064 52.037 0.045 0.000 0.836 1007 A CB 0.000 19.025 19.000 0.041 0.000 0.831 1008 E N 1.024 121.247 120.200 0.038 0.000 2.678 1008 E HA 0.940 5.303 4.350 0.022 0.000 0.204 1008 E C 0.143 176.757 176.600 0.023 0.000 0.743 1008 E CA -0.761 55.662 56.400 0.038 0.000 1.082 1008 E CB 1.561 31.287 29.700 0.043 0.000 1.721 1008 E HN 1.976 nan 8.360 nan 0.000 0.390 1009 A N -0.343 122.484 122.820 0.013 0.000 2.611 1009 A HA 0.282 4.616 4.320 0.022 0.000 0.302 1009 A C -1.375 176.206 177.584 -0.005 0.000 0.947 1009 A CA -0.243 51.801 52.037 0.013 0.000 0.697 1009 A CB 0.503 19.517 19.000 0.023 0.000 1.247 1009 A HN 0.553 nan 8.150 nan 0.000 0.403 1010 V N 2.014 121.928 119.914 -0.001 0.000 2.555 1010 V HA 0.439 4.573 4.120 0.022 0.000 0.286 1010 V C 0.602 176.670 176.094 -0.043 0.000 1.044 1010 V CA 0.398 62.686 62.300 -0.020 0.000 1.026 1010 V CB 1.198 33.024 31.823 0.005 0.000 0.981 1010 V HN 0.901 nan 8.190 nan 0.000 0.480 1011 Q N 6.653 126.417 119.800 -0.059 0.000 2.377 1011 Q HA 0.314 4.667 4.340 0.022 0.000 0.249 1011 Q C -0.396 175.532 176.000 -0.120 0.000 1.005 1011 Q CA -0.802 54.947 55.803 -0.091 0.000 0.912 1011 Q CB 0.714 29.400 28.738 -0.088 0.000 1.223 1011 Q HN 0.736 nan 8.270 nan 0.000 0.459 1012 I N 3.089 123.546 120.570 -0.189 0.000 2.710 1012 I HA 0.011 4.194 4.170 0.022 0.000 0.286 1012 I C 0.118 176.061 176.117 -0.290 0.000 1.181 1012 I CA 0.853 61.993 61.300 -0.267 0.000 1.430 1012 I CB 0.330 38.005 38.000 -0.541 0.000 1.367 1012 I HN 0.734 nan 8.210 nan 0.000 0.577 1013 Q N 6.082 125.751 119.800 -0.219 0.000 2.313 1013 Q HA 0.580 4.933 4.340 0.022 0.000 0.260 1013 Q C -1.460 174.520 176.000 -0.034 0.000 0.972 1013 Q CA -0.505 55.154 55.803 -0.239 0.000 0.886 1013 Q CB 2.978 31.645 28.738 -0.118 0.000 1.373 1013 Q HN 0.612 nan 8.270 nan 0.000 0.416 1014 F N -1.287 118.759 119.950 0.161 0.000 2.711 1014 F HA 0.893 5.433 4.527 0.022 0.000 0.313 1014 F C -0.235 175.727 175.800 0.269 0.000 1.141 1014 F CA -1.311 56.815 58.000 0.210 0.000 0.941 1014 F CB 0.958 40.085 39.000 0.211 0.000 1.349 1014 F HN 0.483 nan 8.300 nan 0.000 0.464 1015 G N 0.961 110.137 108.800 0.626 0.000 2.437 1015 G HA2 0.633 4.606 3.960 0.022 0.000 0.319 1015 G HA3 0.633 4.606 3.960 0.022 0.000 0.319 1015 G C -2.212 173.026 174.900 0.564 0.000 1.158 1015 G CA -0.814 44.654 45.100 0.613 0.000 0.899 1015 G HN 0.572 nan 8.290 nan 0.000 0.502 1016 L N 0.938 122.481 121.223 0.533 0.000 2.409 1016 L HA 0.544 4.897 4.340 0.022 0.000 0.272 1016 L C -0.429 176.666 176.870 0.376 0.000 0.980 1016 L CA -0.845 54.157 54.840 0.269 0.000 0.826 1016 L CB 1.799 43.877 42.059 0.031 0.000 1.268 1016 L HN 0.420 nan 8.230 nan 0.000 0.407 1017 I N 5.032 125.736 120.570 0.223 0.000 2.321 1017 I HA 0.359 4.543 4.170 0.022 0.000 0.291 1017 I C -0.132 175.984 176.117 -0.002 0.000 0.998 1017 I CA -0.589 60.685 61.300 -0.044 0.000 1.227 1017 I CB 1.390 39.228 38.000 -0.270 0.000 1.368 1017 I HN 0.622 nan 8.210 nan 0.000 0.466 1018 N N 5.216 123.813 118.700 -0.172 0.000 2.417 1018 N HA 0.168 4.922 4.740 0.022 0.000 0.300 1018 N C 0.785 176.040 175.510 -0.425 0.000 1.102 1018 N CA -0.365 52.288 53.050 -0.663 0.000 0.886 1018 N CB 1.750 39.690 38.487 -0.911 0.000 1.203 1018 N HN 0.797 nan 8.380 nan 0.000 0.496 1019 C N 2.559 121.576 119.300 -0.472 0.000 2.106 1019 C HA -0.294 4.180 4.460 0.022 0.000 0.197 1019 C C 2.246 177.117 174.990 -0.199 0.000 1.080 1019 C CA 2.072 60.911 59.018 -0.297 0.000 1.850 1019 C CB -1.705 25.872 27.740 -0.273 0.000 1.203 1019 C HN 0.954 nan 8.230 nan 0.000 0.309 1020 G N 0.564 109.271 108.800 -0.155 0.000 3.229 1020 G HA2 0.081 4.054 3.960 0.022 0.000 0.214 1020 G HA3 0.081 4.054 3.960 0.022 0.000 0.214 1020 G C 0.395 175.238 174.900 -0.095 0.000 1.256 1020 G CA 0.881 45.920 45.100 -0.103 0.000 1.042 1020 G HN 0.963 nan 8.290 nan 0.000 0.497 1021 N N -0.707 117.910 118.700 -0.137 0.000 2.727 1021 N HA -0.127 4.626 4.740 0.022 0.000 0.251 1021 N C -0.618 174.829 175.510 -0.105 0.000 1.040 1021 N CA 0.522 53.484 53.050 -0.148 0.000 0.712 1021 N CB -0.185 38.240 38.487 -0.103 0.000 0.912 1021 N HN 0.211 nan 8.380 nan 0.000 0.545 1022 K N 1.245 121.594 120.400 -0.086 0.000 2.270 1022 K HA 0.341 4.674 4.320 0.022 0.000 0.255 1022 K C -0.587 176.061 176.600 0.081 0.000 0.936 1022 K CA -0.434 55.877 56.287 0.040 0.000 0.809 1022 K CB 0.917 33.467 32.500 0.083 0.000 1.131 1022 K HN 0.091 nan 8.250 nan 0.000 0.427 1023 Y N 1.159 121.590 120.300 0.218 0.000 2.309 1023 Y HA 0.187 4.750 4.550 0.022 0.000 0.327 1023 Y C 1.132 177.251 175.900 0.366 0.000 1.172 1023 Y CA -0.358 57.921 58.100 0.299 0.000 1.280 1023 Y CB 0.808 39.426 38.460 0.263 0.000 1.234 1023 Y HN 0.386 nan 8.280 nan 0.000 0.512 1024 L N 3.353 124.921 121.223 0.575 0.000 2.578 1024 L HA 0.040 4.393 4.340 0.022 0.000 0.279 1024 L C -0.423 176.822 176.870 0.624 0.000 1.227 1024 L CA 0.851 55.973 54.840 0.470 0.000 0.900 1024 L CB 0.129 42.207 42.059 0.032 0.000 1.144 1024 L HN 0.737 nan 8.230 nan 0.000 0.496 1025 T N 3.710 118.587 114.554 0.538 0.000 2.921 1025 T HA 0.607 4.970 4.350 0.022 0.000 0.297 1025 T C -0.665 174.307 174.700 0.454 0.000 1.013 1025 T CA -0.534 61.856 62.100 0.484 0.000 0.990 1025 T CB 1.761 70.833 68.868 0.339 0.000 1.023 1025 T HN 0.652 nan 8.240 nan 0.000 0.447 1026 A N 3.183 126.216 122.820 0.356 0.000 2.293 1026 A HA 0.686 5.020 4.320 0.022 0.000 0.312 1026 A C 0.305 177.979 177.584 0.150 0.000 1.309 1026 A CA -0.771 51.426 52.037 0.267 0.000 0.839 1026 A CB 0.573 19.674 19.000 0.169 0.000 1.155 1026 A HN 0.709 nan 8.150 nan 0.000 0.501 1027 E N 1.327 121.648 120.200 0.202 0.000 3.188 1027 E HA 0.443 4.806 4.350 0.022 0.000 0.262 1027 E C 0.645 177.273 176.600 0.046 0.000 1.341 1027 E CA -0.110 56.363 56.400 0.120 0.000 1.140 1027 E CB 0.609 30.459 29.700 0.251 0.000 1.306 1027 E HN 0.617 nan 8.360 nan 0.000 0.694 1028 A N 0.548 123.297 122.820 -0.118 0.000 2.640 1028 A HA 0.253 4.587 4.320 0.022 0.000 0.282 1028 A C -0.369 177.119 177.584 -0.159 0.000 1.357 1028 A CA -0.239 51.717 52.037 -0.135 0.000 0.946 1028 A CB -0.744 18.127 19.000 -0.214 0.000 1.065 1028 A HN 0.327 nan 8.150 nan 0.000 0.541 1029 F N -0.240 119.722 119.950 0.020 0.000 2.426 1029 F HA 0.441 4.981 4.527 0.022 0.000 0.348 1029 F C 1.469 177.232 175.800 -0.062 0.000 1.124 1029 F CA -0.735 57.257 58.000 -0.014 0.000 1.008 1029 F CB 1.730 40.745 39.000 0.025 0.000 1.139 1029 F HN 0.320 nan 8.300 nan 0.000 0.452 1030 G N 5.359 114.188 108.800 0.048 0.000 2.042 1030 G HA2 -0.294 3.679 3.960 0.022 0.000 0.249 1030 G HA3 -0.294 3.679 3.960 0.022 0.000 0.249 1030 G C -0.004 174.780 174.900 -0.193 0.000 0.736 1030 G CA 0.048 45.002 45.100 -0.243 0.000 0.950 1030 G HN 0.688 nan 8.290 nan 0.000 0.402 1031 F N -2.741 117.294 119.950 0.143 0.000 2.667 1031 F HA -0.173 4.367 4.527 0.022 0.000 0.250 1031 F C 0.862 176.765 175.800 0.170 0.000 1.029 1031 F CA 0.684 58.769 58.000 0.142 0.000 0.944 1031 F CB -1.762 37.311 39.000 0.123 0.000 0.994 1031 F HN 0.385 nan 8.300 nan 0.000 0.842 1032 K N 0.212 120.814 120.400 0.337 0.000 2.138 1032 K HA 0.720 5.054 4.320 0.022 0.000 0.263 1032 K C -0.437 176.346 176.600 0.304 0.000 0.965 1032 K CA -0.854 55.601 56.287 0.280 0.000 0.868 1032 K CB 2.373 35.006 32.500 0.223 0.000 1.083 1032 K HN 0.161 nan 8.250 nan 0.000 0.443 1033 V N 5.535 125.620 119.914 0.285 0.000 2.266 1033 V HA 0.251 4.384 4.120 0.022 0.000 0.266 1033 V C -1.200 175.068 176.094 0.290 0.000 1.036 1033 V CA -0.558 61.938 62.300 0.327 0.000 0.828 1033 V CB -0.117 31.907 31.823 0.336 0.000 1.081 1033 V HN 0.911 nan 8.190 nan 0.000 0.449 1034 N N 4.500 123.367 118.700 0.279 0.000 2.448 1034 N HA 0.682 5.435 4.740 0.022 0.000 0.274 1034 N C -0.130 175.554 175.510 0.290 0.000 1.239 1034 N CA -0.106 53.089 53.050 0.241 0.000 0.982 1034 N CB 1.675 40.278 38.487 0.194 0.000 1.199 1034 N HN 0.453 nan 8.380 nan 0.000 0.576 1035 A N -0.619 122.350 122.820 0.249 0.000 3.218 1035 A HA 0.446 4.779 4.320 0.022 0.000 0.321 1035 A C -0.009 177.691 177.584 0.194 0.000 1.012 1035 A CA -0.667 51.534 52.037 0.274 0.000 0.948 1035 A CB -0.574 18.577 19.000 0.252 0.000 1.050 1035 A HN 0.572 nan 8.150 nan 0.000 0.492 1036 S N -0.126 115.699 115.700 0.208 0.000 2.526 1036 S HA 0.377 4.860 4.470 0.022 0.000 0.220 1036 S C 1.081 175.790 174.600 0.182 0.000 1.017 1036 S CA 0.499 58.798 58.200 0.165 0.000 0.930 1036 S CB 0.353 63.644 63.200 0.151 0.000 0.856 1036 S HN 0.892 nan 8.310 nan 0.000 0.497 1037 A N 1.677 124.643 122.820 0.244 0.000 2.371 1037 A HA 0.495 4.828 4.320 0.022 0.000 0.257 1037 A C 0.990 178.764 177.584 0.317 0.000 1.089 1037 A CA -0.040 52.154 52.037 0.261 0.000 0.794 1037 A CB 0.317 19.498 19.000 0.300 0.000 1.029 1037 A HN 0.383 nan 8.150 nan 0.000 0.488 1038 S N -0.043 115.811 115.700 0.256 0.000 2.559 1038 S HA 0.361 4.844 4.470 0.022 0.000 0.226 1038 S C 0.500 175.272 174.600 0.286 0.000 1.000 1038 S CA 0.446 58.804 58.200 0.264 0.000 0.948 1038 S CB -0.531 62.758 63.200 0.149 0.000 0.870 1038 S HN 1.700 nan 8.310 nan 0.000 0.497 1039 S N 0.391 116.192 115.700 0.167 0.000 2.705 1039 S HA 0.648 5.131 4.470 0.022 0.000 0.280 1039 S C -1.222 173.125 174.600 -0.422 0.000 1.174 1039 S CA -0.963 57.210 58.200 -0.045 0.000 0.823 1039 S CB 0.796 63.997 63.200 0.001 0.000 1.162 1039 S HN 0.243 nan 8.310 nan 0.000 0.487 1040 L N 1.709 122.677 121.223 -0.424 0.000 2.353 1040 L HA 0.544 4.897 4.340 0.022 0.000 0.269 1040 L C -0.681 176.081 176.870 -0.179 0.000 1.085 1040 L CA -0.344 54.232 54.840 -0.441 0.000 0.938 1040 L CB 0.253 41.997 42.059 -0.525 0.000 1.312 1040 L HN 0.601 nan 8.230 nan 0.000 0.429 1041 K N 1.183 121.508 120.400 -0.125 0.000 2.296 1041 K HA 0.405 4.738 4.320 0.022 0.000 0.243 1041 K C 0.800 177.365 176.600 -0.059 0.000 1.082 1041 K CA -0.699 55.550 56.287 -0.064 0.000 0.929 1041 K CB 0.754 33.224 32.500 -0.049 0.000 1.353 1041 K HN 0.007 nan 8.250 nan 0.000 0.536 1042 K N 0.603 120.969 120.400 -0.057 0.000 2.103 1042 K HA -0.119 4.214 4.320 0.022 0.000 0.207 1042 K C 1.207 177.768 176.600 -0.066 0.000 1.048 1042 K CA 1.631 57.895 56.287 -0.039 0.000 0.930 1042 K CB -0.027 32.432 32.500 -0.067 0.000 0.716 1042 K HN 0.191 nan 8.250 nan 0.000 0.444 1043 K N 0.721 121.079 120.400 -0.070 0.000 2.555 1043 K HA -0.024 4.309 4.320 0.022 0.000 0.193 1043 K C 0.667 177.218 176.600 -0.082 0.000 1.032 1043 K CA 0.674 56.913 56.287 -0.080 0.000 1.004 1043 K CB 0.384 32.878 32.500 -0.010 0.000 0.804 1043 K HN 0.187 nan 8.250 nan 0.000 0.496 1044 Q N -0.054 119.719 119.800 -0.045 0.000 2.157 1044 Q HA 0.182 4.535 4.340 0.022 0.000 0.229 1044 Q C 1.005 177.065 176.000 0.101 0.000 0.827 1044 Q CA 0.062 55.930 55.803 0.109 0.000 1.055 1044 Q CB 0.200 29.010 28.738 0.121 0.000 1.157 1044 Q HN 0.431 nan 8.270 nan 0.000 0.482 1045 I N -5.096 115.377 120.570 -0.161 0.000 3.783 1045 I HA 0.197 4.380 4.170 0.022 0.000 0.310 1045 I C -0.495 175.564 176.117 -0.096 0.000 1.274 1045 I CA -0.604 60.646 61.300 -0.083 0.000 1.294 1045 I CB -0.304 37.623 38.000 -0.123 0.000 1.051 1045 I HN -0.048 nan 8.210 nan 0.000 0.435 1046 W N 3.406 124.656 121.300 -0.082 0.000 3.423 1046 W HA -0.222 4.451 4.660 0.021 0.000 0.429 1046 W C 1.067 177.326 176.519 -0.433 0.000 1.782 1046 W CA 1.031 58.257 57.345 -0.197 0.000 0.519 1046 W CB -1.101 28.319 29.460 -0.065 0.000 2.861 1046 W HN 0.359 nan 8.180 nan 0.000 0.529 1047 T N 2.369 116.784 114.554 -0.232 0.000 2.918 1047 T HA 0.739 5.102 4.350 0.022 0.000 0.283 1047 T C -0.440 174.102 174.700 -0.265 0.000 1.001 1047 T CA -0.887 61.034 62.100 -0.298 0.000 1.041 1047 T CB 1.515 70.226 68.868 -0.261 0.000 1.028 1047 T HN 0.356 nan 8.240 nan 0.000 0.511 1048 L N 1.544 122.602 121.223 -0.275 0.000 2.313 1048 L HA 0.703 5.056 4.340 0.022 0.000 0.268 1048 L C -0.489 176.327 176.870 -0.089 0.000 1.010 1048 L CA -0.867 53.861 54.840 -0.186 0.000 0.814 1048 L CB 2.083 43.980 42.059 -0.270 0.000 1.304 1048 L HN 0.664 nan 8.230 nan 0.000 0.441 1049 E N 1.579 121.772 120.200 -0.012 0.000 2.146 1049 E HA 0.217 4.580 4.350 0.022 0.000 0.282 1049 E C -1.085 175.524 176.600 0.015 0.000 0.989 1049 E CA -0.257 56.164 56.400 0.035 0.000 0.799 1049 E CB 0.898 30.667 29.700 0.115 0.000 1.088 1049 E HN 0.329 nan 8.360 nan 0.000 0.397 1050 Q N 4.947 124.755 119.800 0.013 0.000 2.436 1050 Q HA -0.016 4.337 4.340 0.022 0.000 0.326 1050 Q C -1.738 174.270 176.000 0.012 0.000 1.079 1050 Q CA -0.817 54.991 55.803 0.009 0.000 1.049 1050 Q CB -0.461 28.284 28.738 0.012 0.000 1.047 1050 Q HN 0.330 nan 8.270 nan 0.000 0.386 1051 P HA -0.182 nan 4.420 nan 0.000 0.259 1051 P C -2.229 175.074 177.300 0.004 0.000 1.111 1051 P CA -0.034 63.072 63.100 0.009 0.000 0.758 1051 P CB -0.285 31.422 31.700 0.012 0.000 0.693 1058 A N 1.649 124.445 122.820 -0.039 0.000 2.308 1058 A HA 0.870 5.203 4.320 0.022 0.000 0.217 1058 A C 0.877 178.440 177.584 -0.035 0.000 1.216 1058 A CA 0.615 52.626 52.037 -0.044 0.000 0.864 1058 A CB -0.521 18.447 19.000 -0.053 0.000 0.902 1058 A HN 1.291 nan 8.150 nan 0.000 0.499 1059 A N -0.378 122.426 122.820 -0.026 0.000 2.313 1059 A HA 0.763 5.097 4.320 0.022 0.000 0.323 1059 A C -0.174 177.425 177.584 0.024 0.000 1.133 1059 A CA 0.026 52.057 52.037 -0.010 0.000 0.847 1059 A CB 1.073 20.052 19.000 -0.035 0.000 1.308 1059 A HN 1.188 nan 8.150 nan 0.000 0.475 1060 V N -2.940 117.013 119.914 0.066 0.000 2.962 1060 V HA 0.751 4.884 4.120 0.022 0.000 0.313 1060 V C -0.416 175.775 176.094 0.161 0.000 1.099 1060 V CA -1.007 61.353 62.300 0.100 0.000 0.971 1060 V CB 0.763 32.658 31.823 0.120 0.000 1.028 1060 V HN 1.103 nan 8.190 nan 0.000 0.430 1061 C N 3.350 122.751 119.300 0.169 0.000 2.470 1061 C HA 0.918 5.391 4.460 0.022 0.000 0.341 1061 C C -0.642 174.484 174.990 0.226 0.000 1.190 1061 C CA -0.625 58.549 59.018 0.260 0.000 1.904 1061 C CB 0.715 28.630 27.740 0.293 0.000 2.354 1061 C HN 0.803 nan 8.230 nan 0.000 0.509 1062 L N 2.537 123.899 121.223 0.232 0.000 2.406 1062 L HA 0.559 4.912 4.340 0.022 0.000 0.270 1062 L C 0.104 177.092 176.870 0.197 0.000 0.982 1062 L CA -0.262 54.672 54.840 0.155 0.000 0.843 1062 L CB 0.838 42.927 42.059 0.050 0.000 1.225 1062 L HN 0.845 nan 8.230 nan 0.000 0.412 1063 R N 1.332 121.772 120.500 -0.100 0.000 2.540 1063 R HA 0.869 5.222 4.340 0.022 0.000 0.287 1063 R C -0.030 176.059 176.300 -0.350 0.000 0.980 1063 R CA -0.420 55.432 56.100 -0.413 0.000 0.966 1063 R CB 1.491 31.069 30.300 -1.204 0.000 1.106 1063 R HN 0.589 nan 8.270 nan 0.000 0.480 1064 S N 0.641 116.063 115.700 -0.462 0.000 2.634 1064 S HA 0.001 4.484 4.470 0.022 0.000 0.261 1064 S C 0.843 175.192 174.600 -0.418 0.000 1.271 1064 S CA -0.591 57.168 58.200 -0.735 0.000 0.985 1064 S CB 0.631 63.465 63.200 -0.609 0.000 0.968 1064 S HN 0.820 nan 8.310 nan 0.000 0.568 1065 H N 0.483 119.279 119.070 -0.457 0.000 2.387 1065 H HA 0.045 4.614 4.556 0.022 0.000 0.299 1065 H C 1.619 176.814 175.328 -0.221 0.000 1.090 1065 H CA 1.725 57.596 56.048 -0.296 0.000 1.332 1065 H CB -0.556 29.058 29.762 -0.246 0.000 1.386 1065 H HN 0.605 nan 8.280 nan 0.000 0.516 1066 L N -0.676 120.523 121.223 -0.041 0.000 2.349 1066 L HA -0.106 4.247 4.340 0.022 0.000 0.220 1066 L C 1.820 178.651 176.870 -0.066 0.000 1.130 1066 L CA 1.132 55.942 54.840 -0.051 0.000 0.791 1066 L CB -0.242 41.794 42.059 -0.039 0.000 0.918 1066 L HN 0.596 nan 8.230 nan 0.000 0.444 1067 G N -0.175 108.546 108.800 -0.132 0.000 2.159 1067 G HA2 -0.226 3.747 3.960 0.022 0.000 0.227 1067 G HA3 -0.226 3.747 3.960 0.022 0.000 0.227 1067 G C 0.170 174.939 174.900 -0.218 0.000 0.986 1067 G CA -0.322 44.674 45.100 -0.174 0.000 0.651 1067 G HN 0.348 nan 8.290 nan 0.000 0.523 1068 R N -0.838 119.533 120.500 -0.215 0.000 2.732 1068 R HA 0.715 5.068 4.340 0.022 0.000 0.278 1068 R C 0.310 176.552 176.300 -0.096 0.000 0.976 1068 R CA -0.849 55.181 56.100 -0.116 0.000 0.963 1068 R CB 1.088 31.256 30.300 -0.220 0.000 1.150 1068 R HN 0.210 nan 8.270 nan 0.000 0.478 1069 Y N 0.478 120.789 120.300 0.019 0.000 2.958 1069 Y HA 0.391 4.954 4.550 0.022 0.000 0.480 1069 Y C -0.017 175.987 175.900 0.175 0.000 1.384 1069 Y CA -0.423 57.739 58.100 0.103 0.000 1.949 1069 Y CB 0.410 38.917 38.460 0.079 0.000 1.690 1069 Y HN 0.224 nan 8.280 nan 0.000 0.720 1070 L N -0.050 121.388 121.223 0.358 0.000 2.505 1070 L HA 0.708 5.061 4.340 0.022 0.000 0.266 1070 L C -1.363 175.721 176.870 0.357 0.000 0.954 1070 L CA -0.461 54.507 54.840 0.214 0.000 0.852 1070 L CB 1.549 43.533 42.059 -0.125 0.000 1.282 1070 L HN 0.493 nan 8.230 nan 0.000 0.403 1071 A N 3.768 126.781 122.820 0.322 0.000 2.386 1071 A HA 0.959 5.293 4.320 0.022 0.000 0.311 1071 A C -0.986 176.820 177.584 0.370 0.000 1.068 1071 A CA -0.103 52.131 52.037 0.329 0.000 0.743 1071 A CB 1.702 20.819 19.000 0.196 0.000 1.258 1071 A HN 1.030 nan 8.150 nan 0.000 0.429 1072 A N 2.668 125.686 122.820 0.331 0.000 2.328 1072 A HA 0.589 4.923 4.320 0.022 0.000 0.318 1072 A C -0.294 177.452 177.584 0.269 0.000 1.347 1072 A CA -0.532 51.705 52.037 0.333 0.000 0.842 1072 A CB -0.024 19.214 19.000 0.398 0.000 1.148 1072 A HN 0.807 nan 8.150 nan 0.000 0.499 1073 D N 1.015 121.537 120.400 0.202 0.000 2.300 1073 D HA -0.007 4.646 4.640 0.022 0.000 0.235 1073 D C 1.045 177.348 176.300 0.005 0.000 1.338 1073 D CA 0.400 54.462 54.000 0.104 0.000 0.903 1073 D CB 0.639 41.483 40.800 0.072 0.000 1.180 1073 D HN 0.523 nan 8.370 nan 0.000 0.485 1074 K N 0.260 120.562 120.400 -0.163 0.000 2.525 1074 K HA -0.051 4.282 4.320 0.022 0.000 0.192 1074 K C -0.130 176.397 176.600 -0.122 0.000 1.029 1074 K CA 0.622 56.679 56.287 -0.383 0.000 1.029 1074 K CB 0.151 32.489 32.500 -0.270 0.000 0.814 1074 K HN 0.277 nan 8.250 nan 0.000 0.503 1075 D N -0.622 119.769 120.400 -0.015 0.000 2.535 1075 D HA 0.107 4.760 4.640 0.022 0.000 0.229 1075 D C 0.539 176.887 176.300 0.080 0.000 1.238 1075 D CA 0.104 54.088 54.000 -0.026 0.000 0.824 1075 D CB 1.185 41.935 40.800 -0.084 0.000 1.045 1075 D HN 0.183 nan 8.370 nan 0.000 0.500 1076 G N 1.137 110.092 108.800 0.258 0.000 2.153 1076 G HA2 -0.315 3.658 3.960 0.022 0.000 0.252 1076 G HA3 -0.315 3.658 3.960 0.022 0.000 0.252 1076 G C -0.001 175.049 174.900 0.250 0.000 0.994 1076 G CA -0.376 44.934 45.100 0.350 0.000 0.698 1076 G HN 0.271 nan 8.290 nan 0.000 0.521 1077 N N -0.200 118.610 118.700 0.185 0.000 2.483 1077 N HA 0.286 5.039 4.740 0.022 0.000 0.264 1077 N C 0.090 175.741 175.510 0.236 0.000 1.197 1077 N CA 0.596 53.747 53.050 0.169 0.000 0.927 1077 N CB 2.123 40.686 38.487 0.127 0.000 1.065 1077 N HN 0.473 nan 8.380 nan 0.000 0.461 1078 V N 2.740 122.799 119.914 0.241 0.000 2.326 1078 V HA 0.449 4.583 4.120 0.022 0.000 0.281 1078 V C -0.340 175.907 176.094 0.256 0.000 1.015 1078 V CA -0.294 62.188 62.300 0.303 0.000 0.823 1078 V CB 0.704 32.767 31.823 0.400 0.000 1.009 1078 V HN 0.776 nan 8.190 nan 0.000 0.436 1079 T N 2.752 117.453 114.554 0.244 0.000 2.908 1079 T HA 0.455 4.818 4.350 0.022 0.000 0.290 1079 T C -0.258 174.580 174.700 0.230 0.000 1.034 1079 T CA -0.530 61.708 62.100 0.229 0.000 1.010 1079 T CB 1.503 70.491 68.868 0.200 0.000 1.068 1079 T HN 0.847 nan 8.240 nan 0.000 0.481 1080 C N 3.413 122.856 119.300 0.237 0.000 3.401 1080 C HA 0.475 4.948 4.460 0.022 0.000 0.204 1080 C C 1.064 176.099 174.990 0.075 0.000 1.522 1080 C CA -0.319 58.824 59.018 0.209 0.000 1.409 1080 C CB -1.638 26.282 27.740 0.299 0.000 1.967 1080 C HN 1.103 nan 8.230 nan 0.000 0.496 1081 E N 1.544 121.751 120.200 0.012 0.000 2.399 1081 E HA 0.104 4.467 4.350 0.022 0.000 0.206 1081 E C 0.483 176.937 176.600 -0.243 0.000 0.812 1081 E CA -0.446 55.776 56.400 -0.297 0.000 1.138 1081 E CB -0.235 29.523 29.700 0.096 0.000 1.140 1081 E HN 0.730 nan 8.360 nan 0.000 0.536 1082 R N 2.530 123.013 120.500 -0.027 0.000 2.449 1082 R HA 0.081 4.434 4.340 0.022 0.000 0.296 1082 R C 0.490 176.826 176.300 0.061 0.000 1.047 1082 R CA 0.343 56.446 56.100 0.006 0.000 1.018 1082 R CB 0.185 30.503 30.300 0.030 0.000 0.962 1082 R HN 0.244 nan 8.270 nan 0.000 0.428 1083 E N 1.702 121.926 120.200 0.039 0.000 2.489 1083 E HA 0.043 4.406 4.350 0.022 0.000 0.193 1083 E C -0.387 176.272 176.600 0.100 0.000 1.057 1083 E CA -0.123 56.353 56.400 0.127 0.000 0.866 1083 E CB 0.515 30.243 29.700 0.047 0.000 0.916 1083 E HN 0.324 nan 8.360 nan 0.000 0.500 1084 V N 2.751 122.630 119.914 -0.057 0.000 2.462 1084 V HA 0.239 4.372 4.120 0.022 0.000 0.288 1084 V C -2.428 173.498 176.094 -0.279 0.000 1.020 1084 V CA -2.025 60.160 62.300 -0.192 0.000 0.857 1084 V CB 1.604 33.371 31.823 -0.093 0.000 1.013 1084 V HN 0.071 nan 8.190 nan 0.000 0.431 1085 P HA 0.183 nan 4.420 nan 0.000 0.259 1085 P C 0.372 177.551 177.300 -0.203 0.000 1.163 1085 P CA 0.774 63.619 63.100 -0.426 0.000 0.760 1085 P CB 0.582 31.976 31.700 -0.512 0.000 0.762 1086 G N 3.353 112.077 108.800 -0.126 0.000 3.209 1086 G HA2 0.452 4.426 3.960 0.022 0.000 0.236 1086 G HA3 0.452 4.426 3.960 0.022 0.000 0.236 1086 G C -2.083 172.772 174.900 -0.075 0.000 1.329 1086 G CA -1.007 44.044 45.100 -0.081 0.000 1.015 1086 G HN 0.135 nan 8.290 nan 0.000 0.571 1087 P HA 0.064 nan 4.420 nan 0.000 0.223 1087 P C 0.759 178.008 177.300 -0.084 0.000 1.151 1087 P CA 0.881 63.943 63.100 -0.063 0.000 0.787 1087 P CB 0.356 32.036 31.700 -0.033 0.000 0.788 1088 D N -1.720 118.649 120.400 -0.052 0.000 2.333 1088 D HA -0.004 4.649 4.640 0.022 0.000 0.208 1088 D C 1.109 177.333 176.300 -0.127 0.000 0.984 1088 D CA 0.569 54.539 54.000 -0.049 0.000 0.873 1088 D CB -0.179 40.648 40.800 0.044 0.000 0.935 1088 D HN 0.164 nan 8.370 nan 0.000 0.521 1089 C N 1.299 120.558 119.300 -0.068 0.000 2.576 1089 C HA 0.147 4.620 4.460 0.022 0.000 0.267 1089 C C 0.938 175.921 174.990 -0.012 0.000 1.364 1089 C CA -0.462 58.590 59.018 0.056 0.000 1.723 1089 C CB -0.878 26.903 27.740 0.069 0.000 1.778 1089 C HN 0.034 nan 8.230 nan 0.000 0.572 1090 R N 1.187 121.507 120.500 -0.300 0.000 2.230 1090 R HA 0.462 4.815 4.340 0.022 0.000 0.337 1090 R C -0.961 175.089 176.300 -0.416 0.000 1.063 1090 R CA 0.223 56.189 56.100 -0.223 0.000 0.935 1090 R CB 0.218 30.406 30.300 -0.186 0.000 1.121 1090 R HN 0.347 nan 8.270 nan 0.000 0.486 1091 F N 1.611 121.522 119.950 -0.064 0.000 2.509 1091 F HA 0.514 5.054 4.527 0.022 0.000 0.334 1091 F C 0.545 176.304 175.800 -0.069 0.000 1.060 1091 F CA -1.076 56.875 58.000 -0.081 0.000 0.997 1091 F CB 1.295 40.235 39.000 -0.099 0.000 1.271 1091 F HN 0.082 nan 8.300 nan 0.000 0.488 1092 L N 2.467 123.766 121.223 0.127 0.000 2.343 1092 L HA 0.441 4.794 4.340 0.022 0.000 0.278 1092 L C -0.787 176.086 176.870 0.004 0.000 0.996 1092 L CA -0.621 54.235 54.840 0.027 0.000 0.831 1092 L CB 1.464 43.520 42.059 -0.006 0.000 1.232 1092 L HN 0.437 nan 8.230 nan 0.000 0.413 1093 I N 3.555 124.052 120.570 -0.121 0.000 2.692 1093 I HA 0.038 4.221 4.170 0.022 0.000 0.284 1093 I C -0.090 175.846 176.117 -0.302 0.000 1.159 1093 I CA 0.464 61.553 61.300 -0.351 0.000 1.423 1093 I CB 0.919 38.397 38.000 -0.870 0.000 1.380 1093 I HN 0.186 nan 8.210 nan 0.000 0.580 1094 V N 6.780 126.524 119.914 -0.282 0.000 2.380 1094 V HA 0.552 4.686 4.120 0.022 0.000 0.286 1094 V C 0.230 176.018 176.094 -0.510 0.000 1.015 1094 V CA -0.884 61.255 62.300 -0.268 0.000 0.834 1094 V CB 1.117 32.907 31.823 -0.053 0.000 1.009 1094 V HN 0.838 nan 8.190 nan 0.000 0.428 1095 A N 4.397 126.964 122.820 -0.421 0.000 2.401 1095 A HA 0.638 4.971 4.320 0.022 0.000 0.259 1095 A C -0.223 177.154 177.584 -0.346 0.000 1.103 1095 A CA -0.147 51.738 52.037 -0.253 0.000 0.789 1095 A CB 0.074 19.053 19.000 -0.036 0.000 1.035 1095 A HN 0.845 nan 8.150 nan 0.000 0.491 1096 H N 2.252 121.398 119.070 0.127 0.000 2.646 1096 H HA 0.163 4.732 4.556 0.022 0.000 0.328 1096 H C 0.169 175.510 175.328 0.021 0.000 0.998 1096 H CA -0.594 55.484 56.048 0.049 0.000 1.225 1096 H CB 1.219 31.008 29.762 0.045 0.000 1.457 1096 H HN 0.832 nan 8.280 nan 0.000 0.505 1097 D N 1.824 122.282 120.400 0.095 0.000 2.897 1097 D HA -0.261 4.392 4.640 0.022 0.000 0.560 1097 D C 0.196 176.509 176.300 0.022 0.000 0.994 1097 D CA 2.173 56.181 54.000 0.015 0.000 1.576 1097 D CB -0.026 40.768 40.800 -0.010 0.000 0.580 1097 D HN 0.738 nan 8.370 nan 0.000 0.491 1098 D N -1.326 119.091 120.400 0.028 0.000 2.764 1098 D HA 0.528 5.181 4.640 0.022 0.000 0.227 1098 D C -0.265 176.045 176.300 0.017 0.000 1.347 1098 D CA -0.676 53.334 54.000 0.016 0.000 0.953 1098 D CB 1.476 42.263 40.800 -0.021 0.000 1.476 1098 D HN 0.325 nan 8.370 nan 0.000 0.585 1099 G N 1.276 110.096 108.800 0.032 0.000 2.378 1099 G HA2 0.556 4.529 3.960 0.022 0.000 0.291 1099 G HA3 0.556 4.529 3.960 0.022 0.000 0.291 1099 G C -0.634 174.310 174.900 0.074 0.000 1.421 1099 G CA -0.734 44.397 45.100 0.051 0.000 1.154 1099 G HN 0.433 nan 8.290 nan 0.000 0.590 1100 R N 0.300 120.902 120.500 0.170 0.000 2.825 1100 R HA 0.407 4.760 4.340 0.022 0.000 0.274 1100 R C -1.265 175.263 176.300 0.379 0.000 1.026 1100 R CA -0.770 55.455 56.100 0.207 0.000 0.867 1100 R CB 1.155 31.555 30.300 0.167 0.000 1.268 1100 R HN 0.362 nan 8.270 nan 0.000 0.491 1101 W N 0.078 121.436 121.300 0.098 0.000 2.169 1101 W HA 0.723 5.397 4.660 0.023 0.000 0.447 1101 W C -0.102 176.491 176.519 0.123 0.000 1.829 1101 W CA -0.434 56.925 57.345 0.024 0.000 2.025 1101 W CB 1.157 30.637 29.460 0.032 0.000 1.542 1101 W HN 0.314 nan 8.180 nan 0.000 0.727 1102 S N 0.063 115.947 115.700 0.307 0.000 2.543 1102 S HA 0.444 4.927 4.470 0.022 0.000 0.273 1102 S C -1.327 173.475 174.600 0.336 0.000 1.152 1102 S CA -0.703 57.726 58.200 0.383 0.000 0.910 1102 S CB 0.576 63.983 63.200 0.345 0.000 1.105 1102 S HN 0.299 nan 8.310 nan 0.000 0.465 1103 L N 3.797 125.270 121.223 0.417 0.000 2.494 1103 L HA 0.410 4.763 4.340 0.022 0.000 0.251 1103 L C 0.310 177.437 176.870 0.428 0.000 1.119 1103 L CA -0.112 54.902 54.840 0.290 0.000 1.026 1103 L CB 0.719 42.768 42.059 -0.017 0.000 1.370 1103 L HN 0.602 nan 8.230 nan 0.000 0.426 1104 Q N 1.707 121.695 119.800 0.314 0.000 2.295 1104 Q HA 0.133 4.486 4.340 0.022 0.000 0.259 1104 Q C -0.070 175.880 176.000 -0.084 0.000 0.976 1104 Q CA -0.185 55.584 55.803 -0.057 0.000 0.923 1104 Q CB 1.436 29.999 28.738 -0.291 0.000 1.185 1104 Q HN 0.410 nan 8.270 nan 0.000 0.410 1105 S N 3.053 118.626 115.700 -0.212 0.000 2.498 1105 S HA -0.051 4.432 4.470 0.022 0.000 0.281 1105 S C 0.891 175.193 174.600 -0.497 0.000 1.265 1105 S CA -0.032 57.851 58.200 -0.528 0.000 1.071 1105 S CB 0.757 63.544 63.200 -0.687 0.000 0.894 1105 S HN 0.861 nan 8.310 nan 0.000 0.491 1106 E N 5.013 124.962 120.200 -0.419 0.000 2.158 1106 E HA -0.079 4.284 4.350 0.022 0.000 0.191 1106 E C 1.922 178.369 176.600 -0.255 0.000 0.982 1106 E CA 0.953 57.188 56.400 -0.275 0.000 0.823 1106 E CB -0.313 29.271 29.700 -0.194 0.000 0.766 1106 E HN 0.828 nan 8.360 nan 0.000 0.468 1107 A N 2.073 124.704 122.820 -0.316 0.000 1.859 1107 A HA -0.182 4.151 4.320 0.022 0.000 0.217 1107 A C 1.339 178.868 177.584 -0.091 0.000 1.198 1107 A CA 1.884 53.821 52.037 -0.167 0.000 0.629 1107 A CB -0.706 18.252 19.000 -0.069 0.000 0.830 1107 A HN 0.616 nan 8.150 nan 0.000 0.446 1108 H N -3.845 115.168 119.070 -0.095 0.000 2.348 1108 H HA 0.583 5.152 4.556 0.022 0.000 0.232 1108 H C 0.147 175.414 175.328 -0.101 0.000 1.419 1108 H CA -0.580 55.427 56.048 -0.069 0.000 1.416 1108 H CB -0.194 29.549 29.762 -0.030 0.000 1.510 1108 H HN 0.319 nan 8.280 nan 0.000 0.507 1109 R N 1.062 121.476 120.500 -0.144 0.000 3.681 1109 R HA -0.240 4.113 4.340 0.022 0.000 0.241 1109 R C -0.609 175.499 176.300 -0.320 0.000 1.093 1109 R CA 0.894 56.872 56.100 -0.204 0.000 0.720 1109 R CB -0.921 29.330 30.300 -0.081 0.000 1.088 1109 R HN 0.640 nan 8.270 nan 0.000 0.514 1110 R N -0.734 119.595 120.500 -0.285 0.000 2.599 1110 R HA 0.321 4.674 4.340 0.022 0.000 0.295 1110 R C -0.948 175.296 176.300 -0.093 0.000 0.963 1110 R CA -0.822 55.179 56.100 -0.165 0.000 0.883 1110 R CB 1.401 31.730 30.300 0.048 0.000 1.171 1110 R HN 0.003 nan 8.270 nan 0.000 0.450 1111 Y N 1.120 121.503 120.300 0.139 0.000 2.352 1111 Y HA 0.268 4.831 4.550 0.022 0.000 0.326 1111 Y C 0.100 176.186 175.900 0.309 0.000 1.166 1111 Y CA -0.604 57.629 58.100 0.222 0.000 1.182 1111 Y CB 0.910 39.477 38.460 0.178 0.000 1.216 1111 Y HN 0.445 nan 8.280 nan 0.000 0.474 1112 F N 1.705 121.911 119.950 0.427 0.000 2.427 1112 F HA 0.615 5.155 4.527 0.022 0.000 0.352 1112 F C 0.413 176.534 175.800 0.534 0.000 1.100 1112 F CA 0.168 58.388 58.000 0.367 0.000 1.191 1112 F CB 0.275 39.374 39.000 0.166 0.000 1.128 1112 F HN 0.547 nan 8.300 nan 0.000 0.533 1113 G N 1.817 110.544 108.800 -0.121 0.000 2.500 1113 G HA2 0.586 4.559 3.960 0.022 0.000 0.299 1113 G HA3 0.586 4.559 3.960 0.022 0.000 0.299 1113 G C -0.580 174.220 174.900 -0.167 0.000 1.242 1113 G CA 0.026 45.120 45.100 -0.011 0.000 0.859 1113 G HN 1.526 nan 8.290 nan 0.000 0.481 1114 G N -2.185 106.540 108.800 -0.125 0.000 2.384 1114 G HA2 0.548 4.521 3.960 0.022 0.000 0.204 1114 G HA3 0.548 4.521 3.960 0.022 0.000 0.204 1114 G C -0.140 174.701 174.900 -0.098 0.000 1.237 1114 G CA 0.851 45.897 45.100 -0.089 0.000 1.060 1114 G HN 2.383 nan 8.290 nan 0.000 0.514 1115 T N -1.570 112.961 114.554 -0.039 0.000 2.676 1115 T HA 0.541 4.904 4.350 0.022 0.000 0.308 1115 T C 0.162 174.877 174.700 0.026 0.000 1.740 1115 T CA 1.414 63.504 62.100 -0.017 0.000 0.982 1115 T CB 0.931 69.763 68.868 -0.059 0.000 1.724 1115 T HN 2.435 nan 8.240 nan 0.000 0.497 1116 E N 0.663 120.890 120.200 0.044 0.000 3.611 1116 E HA -0.233 4.130 4.350 0.022 0.000 0.285 1116 E C -0.181 176.472 176.600 0.087 0.000 1.520 1116 E CA 2.302 58.741 56.400 0.065 0.000 2.203 1116 E CB -0.510 29.215 29.700 0.041 0.000 2.008 1116 E HN 0.880 nan 8.360 nan 0.000 0.455 1117 D N -0.226 120.217 120.400 0.072 0.000 2.400 1117 D HA 0.041 4.694 4.640 0.022 0.000 0.243 1117 D C 0.699 177.037 176.300 0.063 0.000 1.184 1117 D CA 0.243 54.289 54.000 0.077 0.000 0.853 1117 D CB -0.056 40.770 40.800 0.045 0.000 0.944 1117 D HN 0.255 nan 8.370 nan 0.000 0.501 1118 R N 0.370 120.904 120.500 0.055 0.000 2.997 1118 R HA 0.243 4.596 4.340 0.022 0.000 0.358 1118 R C -0.663 175.659 176.300 0.036 0.000 1.191 1118 R CA -0.583 55.542 56.100 0.042 0.000 1.113 1118 R CB -0.634 29.681 30.300 0.026 0.000 1.433 1118 R HN -0.023 nan 8.270 nan 0.000 0.584 1119 L N 0.081 121.335 121.223 0.052 0.000 2.475 1119 L HA 0.535 4.888 4.340 0.022 0.000 0.253 1119 L C 0.470 177.341 176.870 0.002 0.000 1.198 1119 L CA 0.310 55.148 54.840 -0.004 0.000 0.814 1119 L CB 1.229 43.307 42.059 0.031 0.000 1.134 1119 L HN 0.573 nan 8.230 nan 0.000 0.478 1120 S N -0.523 115.129 115.700 -0.081 0.000 2.643 1120 S HA 0.262 4.746 4.470 0.022 0.000 0.266 1120 S C -0.681 173.944 174.600 0.042 0.000 1.130 1120 S CA -0.140 58.093 58.200 0.054 0.000 0.817 1120 S CB 0.653 63.923 63.200 0.116 0.000 1.107 1120 S HN 0.805 nan 8.310 nan 0.000 0.471 1121 C N 1.766 121.212 119.300 0.243 0.000 3.543 1121 C HA 0.475 4.948 4.460 0.022 0.000 0.281 1121 C C 0.696 175.883 174.990 0.330 0.000 2.362 1121 C CA -0.275 58.941 59.018 0.331 0.000 1.649 1121 C CB -2.131 25.951 27.740 0.570 0.000 3.429 1121 C HN 0.842 nan 8.230 nan 0.000 0.407 1122 F N 2.333 122.381 119.950 0.164 0.000 2.695 1122 F HA 0.558 5.098 4.527 0.022 0.000 0.301 1122 F C 0.786 176.665 175.800 0.132 0.000 1.182 1122 F CA 0.557 58.639 58.000 0.136 0.000 1.412 1122 F CB -0.180 38.876 39.000 0.093 0.000 1.056 1122 F HN 0.404 nan 8.300 nan 0.000 0.522 1123 A N 1.874 124.645 122.820 -0.083 0.000 2.582 1123 A HA 0.244 4.578 4.320 0.022 0.000 0.336 1123 A C 0.899 178.493 177.584 0.017 0.000 1.445 1123 A CA -0.564 51.409 52.037 -0.107 0.000 0.997 1123 A CB -0.245 18.782 19.000 0.045 0.000 1.148 1123 A HN 0.695 nan 8.150 nan 0.000 0.514 1124 Q N 1.268 121.010 119.800 -0.097 0.000 2.431 1124 Q HA 0.135 4.489 4.340 0.022 0.000 0.210 1124 Q C 0.385 176.518 176.000 0.221 0.000 0.958 1124 Q CA 0.861 56.699 55.803 0.057 0.000 0.957 1124 Q CB -0.006 28.705 28.738 -0.046 0.000 1.007 1124 Q HN 0.458 nan 8.270 nan 0.000 0.511 1125 T N -0.812 113.850 114.554 0.181 0.000 2.778 1125 T HA 0.528 4.891 4.350 0.022 0.000 0.293 1125 T C -1.220 173.446 174.700 -0.057 0.000 1.144 1125 T CA -0.675 61.478 62.100 0.087 0.000 1.010 1125 T CB 1.757 70.633 68.868 0.014 0.000 1.325 1125 T HN 0.031 nan 8.240 nan 0.000 0.515 1126 V N 2.101 121.913 119.914 -0.169 0.000 2.617 1126 V HA 0.831 4.965 4.120 0.022 0.000 0.298 1126 V C -0.025 175.989 176.094 -0.134 0.000 1.048 1126 V CA -0.405 61.762 62.300 -0.221 0.000 0.964 1126 V CB 1.425 33.062 31.823 -0.310 0.000 1.004 1126 V HN 0.886 nan 8.190 nan 0.000 0.466 1127 S N 4.019 119.648 115.700 -0.119 0.000 2.556 1127 S HA 0.426 4.909 4.470 0.022 0.000 0.280 1127 S C -2.701 171.832 174.600 -0.112 0.000 1.141 1127 S CA -0.825 57.315 58.200 -0.099 0.000 0.883 1127 S CB 2.404 65.560 63.200 -0.073 0.000 1.103 1127 S HN 0.517 nan 8.310 nan 0.000 0.453 1128 P HA 0.094 nan 4.420 nan 0.000 0.261 1128 P C 0.523 177.712 177.300 -0.186 0.000 1.288 1128 P CA 0.669 63.686 63.100 -0.139 0.000 0.751 1128 P CB -0.400 31.227 31.700 -0.120 0.000 1.103 1129 A N -0.238 122.477 122.820 -0.174 0.000 2.419 1129 A HA 0.111 4.444 4.320 0.022 0.000 0.233 1129 A C 1.236 178.707 177.584 -0.189 0.000 1.217 1129 A CA -0.044 51.860 52.037 -0.222 0.000 0.944 1129 A CB 0.264 19.174 19.000 -0.149 0.000 1.025 1129 A HN 0.060 nan 8.150 nan 0.000 0.524 1130 E N 0.578 120.720 120.200 -0.096 0.000 2.585 1130 E HA 0.241 4.605 4.350 0.022 0.000 0.206 1130 E C -0.778 175.884 176.600 0.102 0.000 1.007 1130 E CA 0.036 56.472 56.400 0.060 0.000 1.028 1130 E CB 0.247 29.970 29.700 0.040 0.000 1.087 1130 E HN 0.336 nan 8.360 nan 0.000 0.455 1131 K N 0.764 121.123 120.400 -0.069 0.000 2.541 1131 K HA 0.364 4.697 4.320 0.022 0.000 0.250 1131 K C -1.552 174.967 176.600 -0.136 0.000 0.950 1131 K CA -0.490 55.820 56.287 0.038 0.000 0.805 1131 K CB 1.330 33.822 32.500 -0.014 0.000 1.166 1131 K HN -0.078 nan 8.250 nan 0.000 0.430 1132 W N 0.811 122.187 121.300 0.126 0.000 2.761 1132 W HA 0.404 5.076 4.660 0.021 0.000 0.340 1132 W C 0.132 176.646 176.519 -0.007 0.000 1.072 1132 W CA -0.716 56.667 57.345 0.063 0.000 1.215 1132 W CB 2.037 31.558 29.460 0.102 0.000 1.420 1132 W HN 0.300 nan 8.180 nan 0.000 0.519 1133 S N 1.807 117.575 115.700 0.114 0.000 2.433 1133 S HA 0.583 5.066 4.470 0.022 0.000 0.310 1133 S C -0.593 173.920 174.600 -0.146 0.000 1.097 1133 S CA -0.628 57.540 58.200 -0.052 0.000 1.103 1133 S CB 0.141 63.296 63.200 -0.075 0.000 0.992 1133 S HN 0.272 nan 8.310 nan 0.000 0.469 1134 V N 5.137 124.818 119.914 -0.388 0.000 2.740 1134 V HA 0.215 4.348 4.120 0.022 0.000 0.303 1134 V C 0.449 176.584 176.094 0.069 0.000 1.054 1134 V CA -0.148 61.877 62.300 -0.459 0.000 1.106 1134 V CB 0.516 31.800 31.823 -0.899 0.000 0.957 1134 V HN 1.013 nan 8.190 nan 0.000 0.486 1135 H N 3.335 122.479 119.070 0.124 0.000 2.348 1135 H HA 0.467 5.036 4.556 0.022 0.000 0.232 1135 H C 0.034 175.633 175.328 0.452 0.000 1.419 1135 H CA -0.998 55.267 56.048 0.362 0.000 1.416 1135 H CB 0.452 30.469 29.762 0.426 0.000 1.510 1135 H HN 0.685 nan 8.280 nan 0.000 0.507 1136 I N 2.704 123.670 120.570 0.659 0.000 3.075 1136 I HA -0.243 3.940 4.170 0.022 0.000 0.320 1136 I C 0.884 177.368 176.117 0.611 0.000 1.211 1136 I CA 1.358 62.958 61.300 0.501 0.000 1.463 1136 I CB 0.749 38.818 38.000 0.114 0.000 1.308 1136 I HN 0.772 nan 8.210 nan 0.000 0.553 1137 A N 7.471 130.585 122.820 0.490 0.000 2.674 1137 A HA 0.278 4.611 4.320 0.022 0.000 0.274 1137 A C 0.225 178.099 177.584 0.483 0.000 1.065 1137 A CA -0.462 51.890 52.037 0.525 0.000 0.978 1137 A CB 0.083 19.267 19.000 0.307 0.000 1.242 1137 A HN 0.631 nan 8.150 nan 0.000 0.583 1138 M N -0.719 119.093 119.600 0.354 0.000 2.245 1138 M HA 0.399 4.893 4.480 0.022 0.000 0.292 1138 M C 0.171 176.710 176.300 0.398 0.000 1.176 1138 M CA -0.182 55.289 55.300 0.286 0.000 1.035 1138 M CB -0.840 31.826 32.600 0.111 0.000 1.440 1138 M HN 0.290 nan 8.290 nan 0.000 0.494 1139 H N 1.340 120.528 119.070 0.197 0.000 3.038 1139 H HA 0.069 4.639 4.556 0.022 0.000 0.338 1139 H C -1.891 173.343 175.328 -0.158 0.000 1.041 1139 H CA -0.156 55.944 56.048 0.087 0.000 1.394 1139 H CB 0.669 30.422 29.762 -0.015 0.000 1.357 1139 H HN 0.380 nan 8.280 nan 0.000 0.600 1140 P HA 0.062 nan 4.420 nan 0.000 0.257 1140 P C -0.292 176.845 177.300 -0.272 0.000 1.241 1140 P CA 0.455 63.209 63.100 -0.576 0.000 0.816 1140 P CB 0.493 31.490 31.700 -1.171 0.000 1.150 1141 Q N 0.777 120.519 119.800 -0.097 0.000 2.243 1141 Q HA 0.500 4.853 4.340 0.022 0.000 0.252 1141 Q C -0.077 175.943 176.000 0.034 0.000 0.909 1141 Q CA -0.580 55.225 55.803 0.004 0.000 0.922 1141 Q CB 2.333 31.122 28.738 0.084 0.000 1.215 1141 Q HN -0.061 nan 8.270 nan 0.000 0.427 1142 V N -0.734 119.186 119.914 0.009 0.000 3.232 1142 V HA 0.517 4.651 4.120 0.022 0.000 0.303 1142 V C -1.552 174.569 176.094 0.044 0.000 1.311 1142 V CA -1.222 61.098 62.300 0.032 0.000 1.061 1142 V CB 2.329 34.193 31.823 0.069 0.000 1.085 1142 V HN 0.834 nan 8.190 nan 0.000 0.447 1143 N N 0.773 119.523 118.700 0.084 0.000 2.417 1143 N HA 0.706 5.460 4.740 0.022 0.000 0.274 1143 N C -1.379 174.296 175.510 0.275 0.000 0.987 1143 N CA -0.516 52.627 53.050 0.154 0.000 0.912 1143 N CB 1.960 40.513 38.487 0.109 0.000 1.177 1143 N HN 0.622 nan 8.380 nan 0.000 0.490 1144 I N 3.125 123.863 120.570 0.280 0.000 2.315 1144 I HA 0.194 4.377 4.170 0.022 0.000 0.291 1144 I C -0.504 175.837 176.117 0.374 0.000 1.006 1144 I CA -0.329 61.140 61.300 0.282 0.000 1.265 1144 I CB 0.073 38.127 38.000 0.091 0.000 1.387 1144 I HN 0.470 nan 8.210 nan 0.000 0.475 1145 Y N 5.841 126.243 120.300 0.169 0.000 2.567 1145 Y HA 0.769 5.332 4.550 0.022 0.000 0.333 1145 Y C -0.162 175.834 175.900 0.161 0.000 1.106 1145 Y CA -1.116 56.921 58.100 -0.107 0.000 1.157 1145 Y CB 1.909 40.202 38.460 -0.279 0.000 1.277 1145 Y HN 0.585 nan 8.280 nan 0.000 0.490 1146 S N 2.130 117.546 115.700 -0.472 0.000 2.547 1146 S HA 0.425 4.908 4.470 0.022 0.000 0.281 1146 S C -0.038 174.191 174.600 -0.618 0.000 1.118 1146 S CA -0.311 57.708 58.200 -0.302 0.000 0.947 1146 S CB 0.987 64.198 63.200 0.018 0.000 1.053 1146 S HN 0.677 nan 8.310 nan 0.000 0.482 1147 V N 1.983 121.640 119.914 -0.428 0.000 2.427 1147 V HA -0.100 4.033 4.120 0.022 0.000 0.248 1147 V C 2.292 178.233 176.094 -0.254 0.000 1.051 1147 V CA 2.120 64.228 62.300 -0.320 0.000 1.048 1147 V CB -2.231 29.471 31.823 -0.202 0.000 0.666 1147 V HN 0.920 nan 8.190 nan 0.000 0.456 1148 T N 0.633 115.048 114.554 -0.233 0.000 2.508 1148 T HA -0.129 4.234 4.350 0.022 0.000 0.249 1148 T C 1.976 176.595 174.700 -0.134 0.000 1.173 1148 T CA 1.386 63.394 62.100 -0.152 0.000 1.275 1148 T CB -0.406 68.386 68.868 -0.125 0.000 0.883 1148 T HN 0.242 nan 8.240 nan 0.000 0.394 1149 R N 1.616 122.048 120.500 -0.113 0.000 2.276 1149 R HA -0.032 4.321 4.340 0.022 0.000 0.243 1149 R C 0.996 177.224 176.300 -0.120 0.000 1.161 1149 R CA 0.679 56.731 56.100 -0.080 0.000 1.007 1149 R CB -0.848 29.433 30.300 -0.031 0.000 0.867 1149 R HN 0.607 nan 8.270 nan 0.000 0.472 1150 K N -0.047 120.201 120.400 -0.254 0.000 3.016 1150 K HA -0.202 4.131 4.320 0.022 0.000 0.262 1150 K C -0.301 176.157 176.600 -0.237 0.000 1.043 1150 K CA 0.925 57.017 56.287 -0.325 0.000 0.761 1150 K CB -0.384 32.064 32.500 -0.086 0.000 1.230 1150 K HN 0.082 nan 8.250 nan 0.000 0.485 1151 R N -0.580 119.746 120.500 -0.289 0.000 2.867 1151 R HA 0.391 4.745 4.340 0.022 0.000 0.268 1151 R C -0.845 175.433 176.300 -0.038 0.000 1.014 1151 R CA -0.738 55.346 56.100 -0.027 0.000 0.946 1151 R CB 0.553 30.901 30.300 0.080 0.000 1.208 1151 R HN 0.016 nan 8.270 nan 0.000 0.477 1152 Y N 0.246 120.705 120.300 0.265 0.000 2.335 1152 Y HA 0.436 4.999 4.550 0.022 0.000 0.339 1152 Y C 0.891 176.942 175.900 0.251 0.000 0.987 1152 Y CA -0.476 57.790 58.100 0.276 0.000 1.140 1152 Y CB 1.527 40.126 38.460 0.233 0.000 1.173 1152 Y HN 0.671 nan 8.280 nan 0.000 0.486 1153 A N 4.798 127.817 122.820 0.331 0.000 2.507 1153 A HA 0.372 4.705 4.320 0.022 0.000 0.235 1153 A C 0.012 177.793 177.584 0.328 0.000 1.070 1153 A CA 0.510 52.690 52.037 0.238 0.000 0.768 1153 A CB -0.051 18.979 19.000 0.051 0.000 1.011 1153 A HN 0.945 nan 8.150 nan 0.000 0.502 1154 H N -0.848 118.252 119.070 0.050 0.000 2.864 1154 H HA 0.276 4.845 4.556 0.022 0.000 0.265 1154 H C -1.905 173.434 175.328 0.017 0.000 1.452 1154 H CA -0.911 55.159 56.048 0.037 0.000 1.153 1154 H CB -0.110 29.689 29.762 0.063 0.000 1.792 1154 H HN 0.778 nan 8.280 nan 0.000 0.472 1155 L N 1.690 122.893 121.223 -0.033 0.000 2.380 1155 L HA 0.348 4.701 4.340 0.022 0.000 0.273 1155 L C 0.690 177.459 176.870 -0.168 0.000 1.138 1155 L CA 0.418 55.200 54.840 -0.097 0.000 0.832 1155 L CB 1.099 43.160 42.059 0.004 0.000 1.124 1155 L HN 0.687 nan 8.230 nan 0.000 0.454 1156 S N 2.422 118.026 115.700 -0.160 0.000 2.624 1156 S HA 0.634 5.117 4.470 0.022 0.000 0.263 1156 S C 0.714 175.306 174.600 -0.015 0.000 1.287 1156 S CA 0.051 58.184 58.200 -0.112 0.000 0.990 1156 S CB 1.163 64.311 63.200 -0.088 0.000 0.950 1156 S HN 0.890 nan 8.310 nan 0.000 0.561 1157 A N 2.593 125.420 122.820 0.012 0.000 2.106 1157 A HA 0.335 4.668 4.320 0.022 0.000 0.218 1157 A C 2.003 179.598 177.584 0.018 0.000 1.718 1157 A CA -0.129 51.927 52.037 0.032 0.000 0.768 1157 A CB -0.305 18.727 19.000 0.055 0.000 1.321 1157 A HN 0.697 nan 8.150 nan 0.000 0.567 1158 R N -0.363 120.147 120.500 0.017 0.000 2.087 1158 R HA 0.095 4.448 4.340 0.022 0.000 0.216 1158 R C -1.032 175.271 176.300 0.006 0.000 1.114 1158 R CA 0.764 56.870 56.100 0.011 0.000 1.002 1158 R CB -2.244 28.064 30.300 0.012 0.000 0.903 1158 R HN 0.327 nan 8.270 nan 0.000 0.445 1159 P HA 0.021 nan 4.420 nan 0.000 0.250 1159 P C -0.407 176.888 177.300 -0.009 0.000 1.239 1159 P CA 0.352 63.451 63.100 -0.002 0.000 0.756 1159 P CB -0.241 31.457 31.700 -0.003 0.000 1.013 1160 A N 1.097 123.913 122.820 -0.007 0.000 3.132 1160 A HA -0.117 4.216 4.320 0.022 0.000 0.288 1160 A C 1.171 178.747 177.584 -0.013 0.000 1.959 1160 A CA 1.069 53.099 52.037 -0.012 0.000 1.374 1160 A CB -1.261 17.738 19.000 -0.002 0.000 0.918 1160 A HN 0.306 nan 8.150 nan 0.000 0.594 1161 D N 0.514 120.902 120.400 -0.020 0.000 2.411 1161 D HA -0.030 4.623 4.640 0.022 0.000 0.374 1161 D C 0.216 176.501 176.300 -0.024 0.000 1.187 1161 D CA 0.294 54.283 54.000 -0.017 0.000 0.928 1161 D CB 0.226 41.022 40.800 -0.008 0.000 1.402 1161 D HN 0.810 nan 8.370 nan 0.000 0.478 1162 E N 0.926 121.104 120.200 -0.038 0.000 2.222 1162 E HA 0.465 4.829 4.350 0.022 0.000 0.267 1162 E C -0.374 176.173 176.600 -0.087 0.000 0.963 1162 E CA -0.775 55.597 56.400 -0.046 0.000 0.837 1162 E CB 1.975 31.652 29.700 -0.040 0.000 1.183 1162 E HN 0.048 nan 8.360 nan 0.000 0.403 1163 I N 1.727 122.241 120.570 -0.092 0.000 2.352 1163 I HA 0.346 4.530 4.170 0.022 0.000 0.290 1163 I C 0.060 176.086 176.117 -0.152 0.000 1.036 1163 I CA -0.365 60.848 61.300 -0.145 0.000 1.336 1163 I CB 1.175 39.107 38.000 -0.114 0.000 1.407 1163 I HN 0.602 nan 8.210 nan 0.000 0.497 1164 A N 5.960 128.617 122.820 -0.270 0.000 2.299 1164 A HA 0.735 5.068 4.320 0.022 0.000 0.332 1164 A C -0.552 177.005 177.584 -0.045 0.000 1.131 1164 A CA -0.582 51.362 52.037 -0.155 0.000 0.844 1164 A CB 1.829 20.746 19.000 -0.138 0.000 1.251 1164 A HN 0.570 nan 8.150 nan 0.000 0.486 1165 V N 1.054 121.027 119.914 0.099 0.000 2.284 1165 V HA 0.671 4.804 4.120 0.022 0.000 0.274 1165 V C -1.637 174.586 176.094 0.215 0.000 1.023 1165 V CA -0.044 62.384 62.300 0.213 0.000 0.808 1165 V CB 0.356 32.271 31.823 0.153 0.000 1.035 1165 V HN 0.921 nan 8.190 nan 0.000 0.445 1166 D N 4.531 125.119 120.400 0.312 0.000 2.474 1166 D HA 0.484 5.137 4.640 0.022 0.000 0.234 1166 D C -0.617 175.783 176.300 0.166 0.000 1.323 1166 D CA -0.561 53.567 54.000 0.212 0.000 0.915 1166 D CB 0.602 41.508 40.800 0.176 0.000 1.487 1166 D HN 0.784 nan 8.370 nan 0.000 0.524 1167 R N 0.593 121.188 120.500 0.158 0.000 2.868 1167 R HA 0.254 4.607 4.340 0.022 0.000 0.262 1167 R C -0.983 175.445 176.300 0.212 0.000 1.163 1167 R CA -0.864 55.302 56.100 0.109 0.000 1.105 1167 R CB 0.462 30.744 30.300 -0.029 0.000 1.270 1167 R HN -0.048 nan 8.270 nan 0.000 0.437 1168 D N 0.785 121.280 120.400 0.159 0.000 2.362 1168 D HA -0.058 4.595 4.640 0.022 0.000 0.215 1168 D C -0.121 176.324 176.300 0.240 0.000 0.978 1168 D CA 1.345 55.461 54.000 0.193 0.000 0.921 1168 D CB 0.394 41.252 40.800 0.097 0.000 0.895 1168 D HN 0.239 nan 8.370 nan 0.000 0.494 1169 V N -0.407 119.608 119.914 0.167 0.000 3.023 1169 V HA 0.268 4.401 4.120 0.022 0.000 0.294 1169 V C -2.620 173.446 176.094 -0.047 0.000 1.324 1169 V CA -1.565 60.742 62.300 0.013 0.000 0.979 1169 V CB 2.674 34.517 31.823 0.034 0.000 1.093 1169 V HN -0.146 nan 8.190 nan 0.000 0.434 1170 P HA 0.164 nan 4.420 nan 0.000 0.273 1170 P C -0.911 176.407 177.300 0.030 0.000 1.428 1170 P CA -0.012 62.979 63.100 -0.182 0.000 0.995 1170 P CB 0.153 31.624 31.700 -0.382 0.000 1.286 1171 W N 3.396 124.589 121.300 -0.178 0.000 2.666 1171 W HA 0.449 5.123 4.660 0.023 0.000 0.334 1171 W C 0.497 176.940 176.519 -0.126 0.000 1.051 1171 W CA 0.629 57.887 57.345 -0.145 0.000 1.224 1171 W CB 2.640 32.018 29.460 -0.137 0.000 1.405 1171 W HN 0.694 nan 8.180 nan 0.000 0.513 1172 G N 1.157 109.795 108.800 -0.271 0.000 2.907 1172 G HA2 -0.283 3.690 3.960 0.022 0.000 0.242 1172 G HA3 -0.283 3.690 3.960 0.022 0.000 0.242 1172 G C 0.499 175.340 174.900 -0.099 0.000 1.448 1172 G CA -0.085 44.917 45.100 -0.163 0.000 0.911 1172 G HN 1.116 nan 8.290 nan 0.000 0.553 1173 V N -1.903 117.975 119.914 -0.060 0.000 3.140 1173 V HA -0.073 4.060 4.120 0.022 0.000 0.269 1173 V C 1.959 178.058 176.094 0.007 0.000 1.149 1173 V CA 2.574 64.858 62.300 -0.028 0.000 1.162 1173 V CB -0.655 31.161 31.823 -0.011 0.000 0.756 1173 V HN 0.721 nan 8.190 nan 0.000 0.523 1174 D N 0.541 120.964 120.400 0.038 0.000 2.347 1174 D HA -0.027 4.626 4.640 0.022 0.000 0.213 1174 D C 1.994 178.378 176.300 0.140 0.000 0.985 1174 D CA 1.090 55.157 54.000 0.112 0.000 0.879 1174 D CB 0.178 41.108 40.800 0.217 0.000 0.919 1174 D HN 0.568 nan 8.370 nan 0.000 0.526 1175 S N 0.435 116.175 115.700 0.067 0.000 2.478 1175 S HA 0.031 4.514 4.470 0.022 0.000 0.222 1175 S C 0.854 175.479 174.600 0.042 0.000 1.008 1175 S CA -0.460 57.784 58.200 0.074 0.000 0.928 1175 S CB 0.187 63.386 63.200 -0.001 0.000 0.781 1175 S HN 0.137 nan 8.310 nan 0.000 0.518 1176 L N 2.842 124.068 121.223 0.006 0.000 2.485 1176 L HA 0.328 4.681 4.340 0.022 0.000 0.279 1176 L C -0.794 176.062 176.870 -0.025 0.000 1.124 1176 L CA 0.487 55.317 54.840 -0.016 0.000 0.888 1176 L CB -0.227 41.815 42.059 -0.028 0.000 1.217 1176 L HN 0.094 nan 8.230 nan 0.000 0.464 1177 I N 3.737 124.291 120.570 -0.026 0.000 2.603 1177 I HA 0.452 4.635 4.170 0.022 0.000 0.300 1177 I C -0.098 175.981 176.117 -0.064 0.000 1.017 1177 I CA -0.330 60.940 61.300 -0.050 0.000 1.098 1177 I CB 2.147 40.120 38.000 -0.045 0.000 1.279 1177 I HN 0.441 nan 8.210 nan 0.000 0.437 1178 T N 6.079 120.580 114.554 -0.088 0.000 2.879 1178 T HA 0.469 4.832 4.350 0.022 0.000 0.290 1178 T C -0.271 174.383 174.700 -0.075 0.000 0.993 1178 T CA -0.490 61.541 62.100 -0.115 0.000 0.975 1178 T CB 1.047 69.822 68.868 -0.156 0.000 0.981 1178 T HN 0.275 nan 8.240 nan 0.000 0.439 1179 L N 3.050 124.216 121.223 -0.096 0.000 2.422 1179 L HA 0.521 4.874 4.340 0.022 0.000 0.256 1179 L C 0.962 177.828 176.870 -0.007 0.000 1.202 1179 L CA -0.684 54.149 54.840 -0.011 0.000 1.119 1179 L CB -0.361 41.686 42.059 -0.020 0.000 1.383 1179 L HN 0.658 nan 8.230 nan 0.000 0.411 1180 A N 1.816 124.684 122.820 0.080 0.000 2.351 1180 A HA 0.554 4.887 4.320 0.022 0.000 0.257 1180 A C -0.012 177.685 177.584 0.189 0.000 1.087 1180 A CA -0.367 51.734 52.037 0.107 0.000 0.798 1180 A CB 0.218 19.325 19.000 0.179 0.000 1.033 1180 A HN 0.364 nan 8.150 nan 0.000 0.488 1181 F N 0.301 120.407 119.950 0.260 0.000 2.532 1181 F HA 0.298 4.837 4.527 0.021 0.000 0.323 1181 F C 1.443 177.159 175.800 -0.139 0.000 1.234 1181 F CA 0.771 58.753 58.000 -0.031 0.000 1.323 1181 F CB 0.378 39.299 39.000 -0.131 0.000 1.183 1181 F HN 0.678 nan 8.300 nan 0.000 0.589 1182 Q N -0.657 119.108 119.800 -0.057 0.000 2.582 1182 Q HA 0.161 4.514 4.340 0.022 0.000 0.408 1182 Q C -1.491 174.405 176.000 -0.173 0.000 0.577 1182 Q CA -0.750 54.978 55.803 -0.124 0.000 0.966 1182 Q CB 0.766 29.414 28.738 -0.150 0.000 0.981 1182 Q HN 0.569 nan 8.270 nan 0.000 0.423 1183 D N 1.687 121.987 120.400 -0.167 0.000 2.524 1183 D HA 0.112 4.765 4.640 0.022 0.000 0.222 1183 D C -0.557 175.643 176.300 -0.166 0.000 1.142 1183 D CA -0.262 53.643 54.000 -0.158 0.000 0.973 1183 D CB 0.367 41.094 40.800 -0.122 0.000 1.025 1183 D HN 0.374 nan 8.370 nan 0.000 0.519 1184 Q N -0.367 119.302 119.800 -0.217 0.000 2.487 1184 Q HA -0.244 4.110 4.340 0.022 0.000 0.279 1184 Q C -0.459 175.418 176.000 -0.206 0.000 1.228 1184 Q CA 0.890 56.572 55.803 -0.202 0.000 0.873 1184 Q CB -2.157 26.507 28.738 -0.123 0.000 1.260 1184 Q HN 0.686 nan 8.270 nan 0.000 0.471 1185 R N -1.354 118.938 120.500 -0.346 0.000 2.781 1185 R HA 0.720 5.073 4.340 0.022 0.000 0.268 1185 R C -1.354 174.643 176.300 -0.506 0.000 1.047 1185 R CA -0.654 55.293 56.100 -0.255 0.000 0.925 1185 R CB 1.139 31.390 30.300 -0.081 0.000 1.246 1185 R HN 0.055 nan 8.270 nan 0.000 0.456 1186 Y N -0.023 120.381 120.300 0.173 0.000 2.301 1186 Y HA 0.236 4.799 4.550 0.022 0.000 0.325 1186 Y C -0.734 175.304 175.900 0.230 0.000 1.103 1186 Y CA -0.892 57.321 58.100 0.189 0.000 1.182 1186 Y CB 2.134 40.720 38.460 0.209 0.000 1.139 1186 Y HN 0.507 nan 8.280 nan 0.000 0.443 1187 S N 1.113 116.997 115.700 0.306 0.000 2.439 1187 S HA 0.384 4.867 4.470 0.022 0.000 0.282 1187 S C 0.047 174.819 174.600 0.287 0.000 1.170 1187 S CA -0.954 57.448 58.200 0.336 0.000 1.054 1187 S CB 0.474 63.809 63.200 0.224 0.000 0.956 1187 S HN 0.638 nan 8.310 nan 0.000 0.490 1188 V N 1.579 121.556 119.914 0.105 0.000 2.596 1188 V HA 0.020 4.153 4.120 0.022 0.000 0.260 1188 V C 0.377 176.508 176.094 0.060 0.000 0.968 1188 V CA -0.010 62.260 62.300 -0.051 0.000 1.172 1188 V CB -1.412 30.206 31.823 -0.342 0.000 1.014 1188 V HN 0.984 nan 8.190 nan 0.000 0.468 1189 Q N 4.198 124.021 119.800 0.037 0.000 2.222 1189 Q HA 0.553 4.906 4.340 0.022 0.000 0.252 1189 Q C 0.473 176.366 176.000 -0.178 0.000 0.926 1189 Q CA -0.282 55.430 55.803 -0.153 0.000 0.899 1189 Q CB 1.749 30.306 28.738 -0.302 0.000 1.250 1189 Q HN 0.955 nan 8.270 nan 0.000 0.441 1190 T N -0.347 114.080 114.554 -0.212 0.000 2.902 1190 T HA 0.545 4.909 4.350 0.022 0.000 0.287 1190 T C 0.894 175.522 174.700 -0.121 0.000 1.048 1190 T CA -0.147 61.874 62.100 -0.132 0.000 0.941 1190 T CB 0.594 69.404 68.868 -0.096 0.000 1.432 1190 T HN 0.642 nan 8.240 nan 0.000 0.586 1191 A N -0.453 122.331 122.820 -0.060 0.000 2.021 1191 A HA 0.263 4.596 4.320 0.022 0.000 0.216 1191 A C 2.053 179.659 177.584 0.036 0.000 1.163 1191 A CA 1.275 53.297 52.037 -0.024 0.000 0.676 1191 A CB -1.604 17.393 19.000 -0.006 0.000 0.818 1191 A HN 1.005 nan 8.150 nan 0.000 0.453 1192 D N -2.216 118.195 120.400 0.019 0.000 2.371 1192 D HA 0.173 4.826 4.640 0.022 0.000 0.234 1192 D C 0.805 177.177 176.300 0.120 0.000 1.049 1192 D CA 0.814 54.840 54.000 0.045 0.000 0.907 1192 D CB -0.811 39.985 40.800 -0.006 0.000 0.891 1192 D HN 0.625 nan 8.370 nan 0.000 0.531 1193 H N -2.238 116.728 119.070 -0.173 0.000 4.123 1193 H HA -0.141 4.428 4.556 0.022 0.000 0.146 1193 H C 0.959 176.000 175.328 -0.478 0.000 0.800 1193 H CA 1.265 57.156 56.048 -0.261 0.000 1.256 1193 H CB -1.387 28.282 29.762 -0.155 0.000 0.848 1193 H HN 0.571 nan 8.280 nan 0.000 0.462 1194 R N -0.619 119.724 120.500 -0.262 0.000 2.580 1194 R HA 0.552 4.905 4.340 0.022 0.000 0.267 1194 R C -0.158 175.837 176.300 -0.508 0.000 1.125 1194 R CA -0.121 55.802 56.100 -0.294 0.000 1.188 1194 R CB 0.543 30.794 30.300 -0.081 0.000 1.155 1194 R HN -0.037 nan 8.270 nan 0.000 0.586 1195 F N -0.226 119.738 119.950 0.023 0.000 2.598 1195 F HA 0.340 4.879 4.527 0.020 0.000 0.327 1195 F C -0.358 175.459 175.800 0.029 0.000 1.057 1195 F CA -1.138 56.877 58.000 0.026 0.000 0.957 1195 F CB 1.003 40.025 39.000 0.037 0.000 1.278 1195 F HN 0.123 nan 8.300 nan 0.000 0.484 1196 L N 2.900 124.283 121.223 0.267 0.000 2.268 1196 L HA 0.438 4.791 4.340 0.022 0.000 0.289 1196 L C 0.052 177.060 176.870 0.230 0.000 1.064 1196 L CA -0.448 54.505 54.840 0.189 0.000 0.824 1196 L CB 0.057 42.186 42.059 0.117 0.000 1.202 1196 L HN 0.490 nan 8.230 nan 0.000 0.433 1197 R N 2.979 123.557 120.500 0.130 0.000 2.570 1197 R HA -0.015 4.339 4.340 0.022 0.000 0.277 1197 R C 1.639 177.993 176.300 0.090 0.000 1.039 1197 R CA 0.899 57.028 56.100 0.048 0.000 1.065 1197 R CB 0.155 30.440 30.300 -0.024 0.000 0.964 1197 R HN 0.786 nan 8.270 nan 0.000 0.428 1198 H N 2.439 121.509 119.070 -0.000 0.000 2.457 1198 H HA -0.159 4.411 4.556 0.022 0.000 0.297 1198 H C 0.514 175.884 175.328 0.070 0.000 1.092 1198 H CA 1.652 57.712 56.048 0.020 0.000 1.309 1198 H CB 0.188 29.842 29.762 -0.180 0.000 1.382 1198 H HN 0.823 nan 8.280 nan 0.000 0.535 1199 D N 0.715 120.969 120.400 -0.243 0.000 2.144 1199 D HA -0.035 4.618 4.640 0.022 0.000 0.199 1199 D C 1.807 178.123 176.300 0.027 0.000 0.984 1199 D CA 1.907 55.828 54.000 -0.131 0.000 0.834 1199 D CB -0.517 40.156 40.800 -0.212 0.000 0.955 1199 D HN 0.603 nan 8.370 nan 0.000 0.465 1200 G N -2.365 106.458 108.800 0.038 0.000 3.290 1200 G HA2 0.255 4.228 3.960 0.022 0.000 0.220 1200 G HA3 0.255 4.228 3.960 0.022 0.000 0.220 1200 G C 0.240 175.158 174.900 0.030 0.000 0.940 1200 G CA 0.047 45.177 45.100 0.051 0.000 0.884 1200 G HN 0.621 nan 8.290 nan 0.000 0.649 1201 R N 0.241 120.754 120.500 0.022 0.000 2.534 1201 R HA 0.843 5.196 4.340 0.022 0.000 0.301 1201 R C -0.545 175.775 176.300 0.033 0.000 0.961 1201 R CA -0.750 55.359 56.100 0.015 0.000 0.871 1201 R CB 0.902 31.202 30.300 -0.001 0.000 1.170 1201 R HN 0.428 nan 8.270 nan 0.000 0.446 1202 L N 2.876 124.115 121.223 0.028 0.000 2.500 1202 L HA 0.347 4.700 4.340 0.022 0.000 0.272 1202 L C 0.899 177.800 176.870 0.052 0.000 1.149 1202 L CA 0.203 55.067 54.840 0.040 0.000 0.897 1202 L CB 0.785 42.850 42.059 0.009 0.000 1.178 1202 L HN 0.694 nan 8.230 nan 0.000 0.473 1203 V N 0.999 120.974 119.914 0.100 0.000 3.204 1203 V HA 0.902 5.035 4.120 0.022 0.000 0.316 1203 V C 0.642 176.839 176.094 0.172 0.000 1.160 1203 V CA -0.013 62.355 62.300 0.113 0.000 1.044 1203 V CB 1.362 33.251 31.823 0.110 0.000 1.136 1203 V HN 0.613 nan 8.190 nan 0.000 0.455 1204 A N 0.228 123.147 122.820 0.164 0.000 1.924 1204 A HA 0.402 4.735 4.320 0.022 0.000 0.211 1204 A C 1.356 179.141 177.584 0.334 0.000 1.198 1204 A CA 0.764 52.909 52.037 0.180 0.000 0.657 1204 A CB -0.072 18.989 19.000 0.102 0.000 0.852 1204 A HN 0.902 nan 8.150 nan 0.000 0.454 1205 R N 0.196 120.853 120.500 0.261 0.000 2.750 1205 R HA 0.454 4.807 4.340 0.022 0.000 0.281 1205 R C -3.098 173.142 176.300 -0.099 0.000 0.972 1205 R CA -2.063 54.137 56.100 0.167 0.000 0.912 1205 R CB 1.918 32.263 30.300 0.075 0.000 1.187 1205 R HN 0.074 nan 8.270 nan 0.000 0.464 1206 P HA 0.082 nan 4.420 nan 0.000 0.272 1206 P C -1.082 176.077 177.300 -0.235 0.000 1.230 1206 P CA 0.098 62.885 63.100 -0.523 0.000 0.788 1206 P CB 1.228 32.545 31.700 -0.639 0.000 0.949 1207 E N 1.752 121.835 120.200 -0.195 0.000 3.812 1207 E HA 0.326 4.689 4.350 0.022 0.000 0.195 1207 E C -1.961 174.573 176.600 -0.111 0.000 1.229 1207 E CA -0.399 55.928 56.400 -0.122 0.000 0.844 1207 E CB -0.703 28.944 29.700 -0.088 0.000 3.096 1207 E HN 0.263 nan 8.360 nan 0.000 0.617 1208 P HA 0.511 nan 4.420 nan 0.000 0.372 1208 P C -0.578 176.677 177.300 -0.075 0.000 1.372 1208 P CA 0.301 63.350 63.100 -0.085 0.000 1.527 1208 P CB 1.756 33.420 31.700 -0.060 0.000 1.689 1209 A N -0.061 122.709 122.820 -0.083 0.000 2.498 1209 A HA 0.238 4.571 4.320 0.022 0.000 0.238 1209 A C 1.617 179.121 177.584 -0.135 0.000 1.225 1209 A CA 1.003 53.019 52.037 -0.034 0.000 0.978 1209 A CB -0.438 18.533 19.000 -0.049 0.000 1.142 1209 A HN 0.186 nan 8.150 nan 0.000 0.552 1210 T N -2.611 111.852 114.554 -0.151 0.000 3.067 1210 T HA 0.219 4.582 4.350 0.022 0.000 0.257 1210 T C 1.118 175.716 174.700 -0.170 0.000 1.105 1210 T CA 0.712 62.748 62.100 -0.106 0.000 1.104 1210 T CB -0.140 68.674 68.868 -0.090 0.000 0.925 1210 T HN 0.439 nan 8.240 nan 0.000 0.498 1211 G N 1.071 109.737 108.800 -0.222 0.000 2.530 1211 G HA2 0.497 4.470 3.960 0.022 0.000 0.313 1211 G HA3 0.497 4.470 3.960 0.022 0.000 0.313 1211 G C -0.825 173.998 174.900 -0.129 0.000 0.971 1211 G CA -0.665 44.367 45.100 -0.113 0.000 1.237 1211 G HN 0.428 nan 8.290 nan 0.000 0.446 1212 Y N 0.898 121.263 120.300 0.108 0.000 2.334 1212 Y HA 0.552 5.115 4.550 0.021 0.000 0.325 1212 Y C 1.304 177.343 175.900 0.232 0.000 1.308 1212 Y CA -0.432 57.773 58.100 0.174 0.000 1.389 1212 Y CB 1.450 40.054 38.460 0.241 0.000 1.328 1212 Y HN 0.434 nan 8.280 nan 0.000 0.532 1213 T N -0.274 114.539 114.554 0.432 0.000 2.829 1213 T HA 0.628 4.991 4.350 0.022 0.000 0.280 1213 T C -0.945 174.007 174.700 0.420 0.000 0.999 1213 T CA -0.992 61.361 62.100 0.421 0.000 0.983 1213 T CB 0.427 69.502 68.868 0.345 0.000 0.968 1213 T HN 0.501 nan 8.240 nan 0.000 0.446 1214 L N 2.435 123.871 121.223 0.355 0.000 2.371 1214 L HA 0.512 4.865 4.340 0.022 0.000 0.272 1214 L C 0.625 177.388 176.870 -0.179 0.000 1.124 1214 L CA -0.574 54.258 54.840 -0.013 0.000 0.816 1214 L CB 0.849 42.743 42.059 -0.275 0.000 1.129 1214 L HN 0.782 nan 8.230 nan 0.000 0.448 1215 E N 2.504 122.474 120.200 -0.383 0.000 2.207 1215 E HA 0.344 4.707 4.350 0.022 0.000 0.250 1215 E C -1.213 175.100 176.600 -0.478 0.000 0.890 1215 E CA -0.655 55.453 56.400 -0.486 0.000 0.749 1215 E CB 0.834 30.412 29.700 -0.203 0.000 1.193 1215 E HN 0.245 nan 8.360 nan 0.000 0.423 1216 F N 2.284 122.102 119.950 -0.219 0.000 2.450 1216 F HA 0.301 4.841 4.527 0.021 0.000 0.339 1216 F C 0.969 176.681 175.800 -0.147 0.000 1.146 1216 F CA -0.216 57.719 58.000 -0.109 0.000 1.267 1216 F CB 0.654 39.676 39.000 0.037 0.000 1.178 1216 F HN 0.340 nan 8.300 nan 0.000 0.585 1217 R N 0.746 121.304 120.500 0.096 0.000 2.837 1217 R HA 0.318 4.671 4.340 0.022 0.000 0.245 1217 R C -0.889 175.422 176.300 0.019 0.000 1.712 1217 R CA -0.559 55.546 56.100 0.009 0.000 1.539 1217 R CB 0.740 30.998 30.300 -0.071 0.000 1.490 1217 R HN 0.727 nan 8.270 nan 0.000 0.667 1218 S N -0.552 115.173 115.700 0.042 0.000 3.580 1218 S HA -0.186 4.297 4.470 0.022 0.000 0.472 1218 S C 1.116 175.730 174.600 0.024 0.000 0.730 1218 S CA 0.797 59.012 58.200 0.025 0.000 1.324 1218 S CB -1.290 61.916 63.200 0.010 0.000 1.439 1218 S HN 1.446 nan 8.310 nan 0.000 0.676 1219 G N 2.574 111.390 108.800 0.026 0.000 2.353 1219 G HA2 -0.337 3.636 3.960 0.022 0.000 0.258 1219 G HA3 -0.337 3.636 3.960 0.022 0.000 0.258 1219 G C 0.152 175.089 174.900 0.062 0.000 1.013 1219 G CA 0.970 46.091 45.100 0.034 0.000 0.622 1219 G HN 1.057 nan 8.290 nan 0.000 0.535 1220 K N -0.391 120.047 120.400 0.063 0.000 2.350 1220 K HA 0.872 5.206 4.320 0.022 0.000 0.241 1220 K C -0.675 175.988 176.600 0.105 0.000 0.994 1220 K CA -0.676 55.648 56.287 0.062 0.000 0.839 1220 K CB 2.498 34.990 32.500 -0.013 0.000 1.244 1220 K HN 0.671 nan 8.250 nan 0.000 0.443 1221 V N -0.643 119.304 119.914 0.055 0.000 3.087 1221 V HA 0.814 4.947 4.120 0.022 0.000 0.306 1221 V C -1.714 174.203 176.094 -0.294 0.000 1.187 1221 V CA -0.615 61.656 62.300 -0.047 0.000 0.999 1221 V CB 2.155 34.032 31.823 0.091 0.000 1.049 1221 V HN 0.949 nan 8.190 nan 0.000 0.431 1222 A N 4.274 126.824 122.820 -0.450 0.000 2.454 1222 A HA 0.956 5.289 4.320 0.022 0.000 0.302 1222 A C -1.704 175.678 177.584 -0.338 0.000 1.079 1222 A CA -0.459 51.332 52.037 -0.410 0.000 0.731 1222 A CB 1.605 20.303 19.000 -0.503 0.000 1.299 1222 A HN 0.770 nan 8.150 nan 0.000 0.413 1223 F N 0.811 120.954 119.950 0.320 0.000 2.460 1223 F HA 0.573 5.114 4.527 0.022 0.000 0.341 1223 F C 0.583 176.687 175.800 0.506 0.000 1.130 1223 F CA -0.344 57.855 58.000 0.331 0.000 0.962 1223 F CB 1.866 40.913 39.000 0.078 0.000 1.171 1223 F HN 0.678 nan 8.300 nan 0.000 0.436 1224 R N 1.971 122.816 120.500 0.574 0.000 2.338 1224 R HA 0.512 4.865 4.340 0.022 0.000 0.317 1224 R C -0.624 175.796 176.300 0.200 0.000 0.968 1224 R CA -0.672 55.569 56.100 0.234 0.000 0.849 1224 R CB 1.030 31.243 30.300 -0.144 0.000 1.128 1224 R HN 0.639 nan 8.270 nan 0.000 0.448 1225 D N 2.692 123.116 120.400 0.040 0.000 2.398 1225 D HA -0.045 4.608 4.640 0.022 0.000 0.264 1225 D C 1.104 177.281 176.300 -0.206 0.000 1.263 1225 D CA -0.371 53.491 54.000 -0.230 0.000 1.037 1225 D CB 0.292 40.806 40.800 -0.476 0.000 1.101 1225 D HN 0.686 nan 8.370 nan 0.000 0.551 1226 C N -1.771 117.387 119.300 -0.237 0.000 2.435 1226 C HA 0.040 4.513 4.460 0.022 0.000 0.279 1226 C C 2.046 176.958 174.990 -0.129 0.000 1.321 1226 C CA 0.199 59.134 59.018 -0.138 0.000 1.752 1226 C CB -0.947 26.735 27.740 -0.097 0.000 1.959 1226 C HN 0.505 nan 8.230 nan 0.000 0.500 1227 E N 1.733 121.817 120.200 -0.193 0.000 2.046 1227 E HA 0.225 4.588 4.350 0.022 0.000 0.190 1227 E C 1.493 178.013 176.600 -0.133 0.000 0.982 1227 E CA 1.470 57.784 56.400 -0.145 0.000 0.800 1227 E CB -0.522 29.081 29.700 -0.161 0.000 0.756 1227 E HN 0.895 nan 8.360 nan 0.000 0.449 1228 G N 0.985 109.679 108.800 -0.177 0.000 2.459 1228 G HA2 -0.067 3.906 3.960 0.022 0.000 0.273 1228 G HA3 -0.067 3.906 3.960 0.022 0.000 0.273 1228 G C -0.412 174.370 174.900 -0.198 0.000 1.070 1228 G CA -0.528 44.458 45.100 -0.191 0.000 1.287 1228 G HN 0.093 nan 8.290 nan 0.000 0.642 1229 R N 0.767 121.141 120.500 -0.209 0.000 2.568 1229 R HA 0.136 4.489 4.340 0.022 0.000 0.232 1229 R C -0.123 176.210 176.300 0.055 0.000 1.412 1229 R CA -0.921 55.125 56.100 -0.089 0.000 1.492 1229 R CB 0.291 30.523 30.300 -0.113 0.000 1.441 1229 R HN 0.467 nan 8.270 nan 0.000 0.768 1230 Y N 1.788 122.149 120.300 0.102 0.000 2.914 1230 Y HA -0.304 4.259 4.550 0.022 0.000 0.381 1230 Y C 1.564 177.595 175.900 0.218 0.000 1.223 1230 Y CA 0.046 58.243 58.100 0.162 0.000 1.612 1230 Y CB 0.252 38.769 38.460 0.096 0.000 1.092 1230 Y HN 0.313 nan 8.280 nan 0.000 0.549 1231 L N 2.404 123.938 121.223 0.518 0.000 2.463 1231 L HA 0.085 4.439 4.340 0.022 0.000 0.300 1231 L C 0.483 177.610 176.870 0.427 0.000 1.315 1231 L CA 1.331 56.443 54.840 0.453 0.000 0.824 1231 L CB -0.311 42.018 42.059 0.450 0.000 1.058 1231 L HN 0.943 nan 8.230 nan 0.000 0.588 1232 A N 1.151 124.208 122.820 0.395 0.000 2.609 1232 A HA 0.402 4.735 4.320 0.022 0.000 0.305 1232 A C -2.813 174.914 177.584 0.238 0.000 0.888 1232 A CA -0.872 51.389 52.037 0.373 0.000 0.614 1232 A CB -0.444 18.683 19.000 0.210 0.000 1.326 1232 A HN 0.445 nan 8.150 nan 0.000 0.417 1233 P HA 0.475 nan 4.420 nan 0.000 0.275 1233 P C 0.575 177.929 177.300 0.091 0.000 1.228 1233 P CA 0.132 63.313 63.100 0.134 0.000 0.786 1233 P CB 1.386 33.158 31.700 0.121 0.000 0.927 1234 S N 0.708 116.452 115.700 0.073 0.000 2.339 1234 S HA 0.229 4.712 4.470 0.022 0.000 0.213 1234 S C 1.096 175.723 174.600 0.044 0.000 1.033 1234 S CA 1.172 59.406 58.200 0.058 0.000 0.950 1234 S CB -0.419 62.812 63.200 0.052 0.000 0.893 1234 S HN 0.690 nan 8.310 nan 0.000 0.492 1235 G N 0.694 109.517 108.800 0.039 0.000 3.212 1235 G HA2 0.396 4.369 3.960 0.022 0.000 0.188 1235 G HA3 0.396 4.369 3.960 0.022 0.000 0.188 1235 G C -2.286 172.633 174.900 0.033 0.000 1.254 1235 G CA -0.507 44.612 45.100 0.032 0.000 0.957 1235 G HN 0.145 nan 8.290 nan 0.000 0.596 1236 P HA -0.012 nan 4.420 nan 0.000 0.230 1236 P C 1.251 178.576 177.300 0.041 0.000 1.158 1236 P CA 1.547 64.667 63.100 0.032 0.000 0.769 1236 P CB 0.293 32.010 31.700 0.028 0.000 0.807 1237 S N -2.089 113.634 115.700 0.039 0.000 2.557 1237 S HA 0.349 4.832 4.470 0.022 0.000 0.223 1237 S C 1.549 176.176 174.600 0.045 0.000 0.969 1237 S CA 0.275 58.501 58.200 0.043 0.000 0.927 1237 S CB -1.073 62.143 63.200 0.027 0.000 0.806 1237 S HN 0.230 nan 8.310 nan 0.000 0.489 1238 G N 1.939 110.768 108.800 0.049 0.000 2.361 1238 G HA2 -0.285 3.688 3.960 0.022 0.000 0.294 1238 G HA3 -0.285 3.688 3.960 0.022 0.000 0.294 1238 G C 0.192 175.122 174.900 0.051 0.000 1.004 1238 G CA 0.517 45.652 45.100 0.058 0.000 0.870 1238 G HN 0.607 nan 8.290 nan 0.000 0.510 1239 T N 0.117 114.692 114.554 0.035 0.000 2.867 1239 T HA 0.115 4.478 4.350 0.022 0.000 0.290 1239 T C 0.628 175.352 174.700 0.040 0.000 1.025 1239 T CA 0.139 62.252 62.100 0.022 0.000 1.146 1239 T CB 0.739 69.620 68.868 0.022 0.000 1.024 1239 T HN 0.277 nan 8.240 nan 0.000 0.519 1240 L N 5.412 126.646 121.223 0.018 0.000 2.283 1240 L HA 0.388 4.741 4.340 0.022 0.000 0.287 1240 L C 0.037 176.941 176.870 0.058 0.000 1.073 1240 L CA 0.282 55.138 54.840 0.026 0.000 0.822 1240 L CB -0.156 41.867 42.059 -0.060 0.000 1.186 1240 L HN 0.623 nan 8.230 nan 0.000 0.436 1241 K N 3.955 124.421 120.400 0.110 0.000 2.553 1241 K HA 0.690 5.023 4.320 0.022 0.000 0.250 1241 K C -0.507 176.217 176.600 0.207 0.000 0.953 1241 K CA -0.774 55.605 56.287 0.152 0.000 0.800 1241 K CB 1.500 34.072 32.500 0.121 0.000 1.243 1241 K HN 0.564 nan 8.250 nan 0.000 0.435 1242 A N 1.938 124.928 122.820 0.284 0.000 2.624 1242 A HA 0.305 4.638 4.320 0.022 0.000 0.231 1242 A C 0.565 178.271 177.584 0.202 0.000 1.034 1242 A CA 1.079 53.285 52.037 0.282 0.000 0.754 1242 A CB -0.122 19.033 19.000 0.259 0.000 0.953 1242 A HN 0.823 nan 8.150 nan 0.000 0.509 1243 G N 0.167 109.076 108.800 0.181 0.000 2.705 1243 G HA2 0.520 4.493 3.960 0.022 0.000 0.299 1243 G HA3 0.520 4.493 3.960 0.022 0.000 0.299 1243 G C 0.576 175.535 174.900 0.097 0.000 1.315 1243 G CA -0.184 44.999 45.100 0.137 0.000 1.045 1243 G HN 0.763 nan 8.290 nan 0.000 0.517 1244 K N -0.478 119.970 120.400 0.080 0.000 2.367 1244 K HA 0.338 4.671 4.320 0.022 0.000 0.194 1244 K C 0.910 177.543 176.600 0.056 0.000 1.027 1244 K CA 0.098 56.417 56.287 0.054 0.000 1.075 1244 K CB 0.472 32.999 32.500 0.045 0.000 0.845 1244 K HN 0.399 nan 8.250 nan 0.000 0.529 1245 A N 2.802 125.672 122.820 0.084 0.000 2.520 1245 A HA 0.114 4.447 4.320 0.022 0.000 0.245 1245 A C 1.488 179.136 177.584 0.106 0.000 1.072 1245 A CA 0.208 52.301 52.037 0.093 0.000 0.761 1245 A CB 0.133 19.198 19.000 0.109 0.000 1.004 1245 A HN 0.450 nan 8.150 nan 0.000 0.499 1246 T N 1.686 116.287 114.554 0.078 0.000 2.545 1246 T HA -0.104 4.260 4.350 0.022 0.000 0.261 1246 T C 0.738 175.525 174.700 0.146 0.000 1.097 1246 T CA 1.571 63.714 62.100 0.071 0.000 1.189 1246 T CB -0.358 68.541 68.868 0.051 0.000 0.863 1246 T HN 0.642 nan 8.240 nan 0.000 0.405 1247 K N 0.571 121.062 120.400 0.152 0.000 2.203 1247 K HA 0.669 5.002 4.320 0.022 0.000 0.251 1247 K C -0.867 175.801 176.600 0.114 0.000 0.944 1247 K CA -0.836 55.568 56.287 0.194 0.000 0.829 1247 K CB 2.756 35.316 32.500 0.100 0.000 1.125 1247 K HN 0.177 nan 8.250 nan 0.000 0.430 1248 V N 1.412 121.313 119.914 -0.022 0.000 3.003 1248 V HA 0.608 4.741 4.120 0.022 0.000 0.305 1248 V C 0.190 176.187 176.094 -0.161 0.000 1.078 1248 V CA 0.579 62.746 62.300 -0.222 0.000 1.083 1248 V CB 1.138 32.568 31.823 -0.656 0.000 1.039 1248 V HN 0.944 nan 8.190 nan 0.000 0.481 1249 G N 3.530 112.234 108.800 -0.160 0.000 3.058 1249 G HA2 0.296 4.269 3.960 0.022 0.000 0.282 1249 G HA3 0.296 4.269 3.960 0.022 0.000 0.282 1249 G C 0.193 174.992 174.900 -0.168 0.000 1.248 1249 G CA -0.022 44.998 45.100 -0.134 0.000 0.822 1249 G HN 0.897 nan 8.290 nan 0.000 0.579 1250 K N -0.429 119.888 120.400 -0.137 0.000 2.442 1250 K HA -0.054 4.279 4.320 0.022 0.000 0.198 1250 K C 0.956 177.443 176.600 -0.189 0.000 1.044 1250 K CA 2.088 58.281 56.287 -0.155 0.000 0.948 1250 K CB -0.168 32.265 32.500 -0.112 0.000 0.762 1250 K HN 0.334 nan 8.250 nan 0.000 0.472 1251 D N 1.645 121.945 120.400 -0.165 0.000 2.234 1251 D HA -0.117 4.536 4.640 0.022 0.000 0.205 1251 D C 0.417 176.580 176.300 -0.228 0.000 0.962 1251 D CA 0.936 54.847 54.000 -0.147 0.000 0.855 1251 D CB 0.043 40.797 40.800 -0.077 0.000 0.951 1251 D HN 0.638 nan 8.370 nan 0.000 0.500 1252 E N 0.138 120.143 120.200 -0.325 0.000 2.812 1252 E HA 0.242 4.606 4.350 0.022 0.000 0.211 1252 E C -0.271 175.825 176.600 -0.840 0.000 0.986 1252 E CA -0.254 55.875 56.400 -0.452 0.000 1.119 1252 E CB 0.685 30.282 29.700 -0.172 0.000 1.046 1252 E HN 0.157 nan 8.360 nan 0.000 0.474 1253 L N 1.652 122.391 121.223 -0.807 0.000 2.275 1253 L HA 0.488 4.841 4.340 0.022 0.000 0.288 1253 L C -0.763 175.589 176.870 -0.863 0.000 1.046 1253 L CA -0.616 53.817 54.840 -0.679 0.000 0.805 1253 L CB 0.391 42.240 42.059 -0.351 0.000 1.193 1253 L HN 0.069 nan 8.230 nan 0.000 0.426 1254 F N 1.349 121.267 119.950 -0.053 0.000 2.546 1254 F HA 0.674 5.215 4.527 0.023 0.000 0.320 1254 F C 0.289 176.132 175.800 0.072 0.000 1.076 1254 F CA -0.861 57.154 58.000 0.025 0.000 0.928 1254 F CB 1.755 40.837 39.000 0.136 0.000 1.189 1254 F HN 0.381 nan 8.300 nan 0.000 0.465 1255 A N 3.539 126.561 122.820 0.337 0.000 2.271 1255 A HA 0.773 5.106 4.320 0.022 0.000 0.317 1255 A C -0.916 176.845 177.584 0.295 0.000 1.245 1255 A CA -0.621 51.587 52.037 0.285 0.000 0.857 1255 A CB 0.317 19.491 19.000 0.289 0.000 1.175 1255 A HN 0.791 nan 8.150 nan 0.000 0.512 1256 L N 2.700 124.062 121.223 0.232 0.000 2.276 1256 L HA 0.439 4.792 4.340 0.022 0.000 0.286 1256 L C 0.008 176.965 176.870 0.144 0.000 1.061 1256 L CA -0.148 54.816 54.840 0.208 0.000 0.807 1256 L CB 0.941 43.119 42.059 0.198 0.000 1.177 1256 L HN 0.731 nan 8.230 nan 0.000 0.429 1257 E N 3.030 123.312 120.200 0.135 0.000 2.266 1257 E HA 0.306 4.669 4.350 0.022 0.000 0.268 1257 E C -1.231 175.376 176.600 0.012 0.000 0.879 1257 E CA -0.990 55.455 56.400 0.074 0.000 0.762 1257 E CB 1.921 31.679 29.700 0.097 0.000 1.199 1257 E HN 0.468 nan 8.360 nan 0.000 0.422 1258 Q N 1.271 121.048 119.800 -0.037 0.000 2.308 1258 Q HA -0.031 4.322 4.340 0.022 0.000 0.313 1258 Q C -0.158 175.775 176.000 -0.111 0.000 1.075 1258 Q CA 0.529 56.266 55.803 -0.110 0.000 0.995 1258 Q CB 0.431 29.070 28.738 -0.166 0.000 1.107 1258 Q HN 0.350 nan 8.270 nan 0.000 0.380 1259 S N 2.936 118.558 115.700 -0.131 0.000 2.411 1259 S HA 0.178 4.661 4.470 0.022 0.000 0.294 1259 S C -0.266 174.255 174.600 -0.130 0.000 1.115 1259 S CA -0.863 57.265 58.200 -0.120 0.000 1.071 1259 S CB 0.358 63.506 63.200 -0.088 0.000 0.967 1259 S HN 0.698 nan 8.310 nan 0.000 0.488 1260 C N 5.210 124.443 119.300 -0.112 0.000 2.534 1260 C HA 0.735 5.208 4.460 0.022 0.000 0.385 1260 C C 1.134 176.128 174.990 0.007 0.000 1.264 1260 C CA -0.479 58.513 59.018 -0.043 0.000 2.342 1260 C CB -0.551 27.145 27.740 -0.073 0.000 2.564 1260 C HN 1.026 nan 8.230 nan 0.000 0.603 1261 A N 4.552 127.461 122.820 0.149 0.000 2.548 1261 A HA 0.287 4.620 4.320 0.022 0.000 0.247 1261 A C -0.136 177.324 177.584 -0.207 0.000 1.067 1261 A CA 0.484 52.488 52.037 -0.055 0.000 0.757 1261 A CB -0.024 18.732 19.000 -0.405 0.000 0.996 1261 A HN 0.912 nan 8.150 nan 0.000 0.504 1262 Q N 1.084 120.752 119.800 -0.221 0.000 2.322 1262 Q HA 0.551 4.904 4.340 0.022 0.000 0.265 1262 Q C -0.613 175.265 176.000 -0.202 0.000 0.985 1262 Q CA -0.417 55.207 55.803 -0.299 0.000 0.849 1262 Q CB 1.928 30.361 28.738 -0.508 0.000 1.274 1262 Q HN 0.764 nan 8.270 nan 0.000 0.449 1263 V N 0.363 120.197 119.914 -0.133 0.000 2.815 1263 V HA 0.760 4.893 4.120 0.022 0.000 0.314 1263 V C -0.476 175.629 176.094 0.018 0.000 1.064 1263 V CA -0.982 61.284 62.300 -0.057 0.000 0.952 1263 V CB 1.851 33.662 31.823 -0.020 0.000 1.020 1263 V HN 0.449 nan 8.190 nan 0.000 0.439 1264 V N 3.512 123.427 119.914 0.002 0.000 2.513 1264 V HA 0.537 4.671 4.120 0.022 0.000 0.299 1264 V C -0.338 175.811 176.094 0.091 0.000 1.035 1264 V CA -0.424 61.924 62.300 0.080 0.000 0.889 1264 V CB 1.573 33.407 31.823 0.018 0.000 0.988 1264 V HN 0.757 nan 8.190 nan 0.000 0.440 1265 L N 4.691 126.011 121.223 0.161 0.000 2.313 1265 L HA 0.593 4.946 4.340 0.022 0.000 0.283 1265 L C -0.260 176.742 176.870 0.220 0.000 1.013 1265 L CA -0.078 54.855 54.840 0.155 0.000 0.816 1265 L CB 1.637 43.694 42.059 -0.004 0.000 1.236 1265 L HN 0.618 nan 8.230 nan 0.000 0.419 1266 Q N 2.567 122.500 119.800 0.222 0.000 2.325 1266 Q HA 0.697 5.050 4.340 0.022 0.000 0.270 1266 Q C -0.604 175.388 176.000 -0.014 0.000 1.020 1266 Q CA -0.578 55.293 55.803 0.113 0.000 0.785 1266 Q CB 2.144 30.930 28.738 0.080 0.000 1.259 1266 Q HN 0.781 nan 8.270 nan 0.000 0.452 1267 A N 2.738 125.484 122.820 -0.124 0.000 2.262 1267 A HA 0.787 5.120 4.320 0.022 0.000 0.273 1267 A C -0.437 176.976 177.584 -0.284 0.000 1.202 1267 A CA 0.286 52.049 52.037 -0.458 0.000 0.811 1267 A CB 0.451 19.265 19.000 -0.310 0.000 1.159 1267 A HN 0.868 nan 8.150 nan 0.000 0.505 1268 A N 0.591 123.237 122.820 -0.289 0.000 2.771 1268 A HA 0.516 4.850 4.320 0.022 0.000 0.301 1268 A C 0.030 177.532 177.584 -0.136 0.000 1.194 1268 A CA 0.093 52.029 52.037 -0.168 0.000 0.837 1268 A CB -0.371 18.538 19.000 -0.152 0.000 1.438 1268 A HN 1.721 nan 8.150 nan 0.000 0.436 1269 N N 0.819 119.461 118.700 -0.098 0.000 1.955 1269 N HA -0.213 4.540 4.740 0.022 0.000 0.125 1269 N C 0.408 175.880 175.510 -0.063 0.000 0.824 1269 N CA 1.865 54.868 53.050 -0.078 0.000 0.855 1269 N CB -0.100 38.332 38.487 -0.092 0.000 0.810 1269 N HN 0.661 nan 8.380 nan 0.000 0.714 1270 E N -2.074 118.099 120.200 -0.046 0.000 2.642 1270 E HA 0.148 4.512 4.350 0.022 0.000 0.206 1270 E C 0.218 176.812 176.600 -0.011 0.000 0.939 1270 E CA 0.567 56.951 56.400 -0.026 0.000 1.372 1270 E CB 0.252 29.943 29.700 -0.015 0.000 1.334 1270 E HN 0.698 nan 8.360 nan 0.000 0.709 1271 R N 1.186 121.677 120.500 -0.015 0.000 2.607 1271 R HA 0.525 4.878 4.340 0.022 0.000 0.261 1271 R C 0.130 176.446 176.300 0.027 0.000 1.051 1271 R CA -0.444 55.660 56.100 0.007 0.000 1.110 1271 R CB -0.175 30.128 30.300 0.004 0.000 1.158 1271 R HN -0.128 nan 8.270 nan 0.000 0.543 1272 N N 0.942 119.673 118.700 0.052 0.000 2.426 1272 N HA 0.269 5.022 4.740 0.022 0.000 0.275 1272 N C -0.133 175.445 175.510 0.114 0.000 1.019 1272 N CA -0.495 52.612 53.050 0.096 0.000 0.941 1272 N CB 1.860 40.409 38.487 0.103 0.000 1.123 1272 N HN 0.640 nan 8.380 nan 0.000 0.486 1273 V N 1.202 121.201 119.914 0.142 0.000 2.694 1273 V HA 0.296 4.429 4.120 0.022 0.000 0.306 1273 V C 0.454 176.682 176.094 0.224 0.000 1.054 1273 V CA 0.498 62.864 62.300 0.109 0.000 1.161 1273 V CB 0.617 32.458 31.823 0.030 0.000 0.916 1273 V HN 0.649 nan 8.190 nan 0.000 0.490 1274 S N 3.234 119.031 115.700 0.162 0.000 2.697 1274 S HA 0.802 5.286 4.470 0.022 0.000 0.289 1274 S C 0.691 175.398 174.600 0.178 0.000 1.149 1274 S CA 0.096 58.438 58.200 0.237 0.000 0.850 1274 S CB 1.660 64.938 63.200 0.129 0.000 1.151 1274 S HN 1.363 nan 8.310 nan 0.000 0.491 1275 T N 0.471 115.143 114.554 0.196 0.000 3.040 1275 T HA 0.353 4.716 4.350 0.022 0.000 0.250 1275 T C 0.837 175.580 174.700 0.071 0.000 1.058 1275 T CA 0.023 62.193 62.100 0.117 0.000 0.988 1275 T CB -0.156 68.801 68.868 0.147 0.000 0.993 1275 T HN 0.536 nan 8.240 nan 0.000 0.519 1276 R N 1.204 121.748 120.500 0.073 0.000 2.638 1276 R HA 0.385 4.738 4.340 0.022 0.000 0.268 1276 R C 0.760 177.075 176.300 0.025 0.000 1.006 1276 R CA 1.358 57.483 56.100 0.042 0.000 1.088 1276 R CB -0.245 30.076 30.300 0.035 0.000 0.950 1276 R HN 0.591 nan 8.270 nan 0.000 0.419 1277 Q N 0.781 120.590 119.800 0.015 0.000 2.453 1277 Q HA -0.157 4.196 4.340 0.022 0.000 0.330 1277 Q C 0.376 176.377 176.000 0.002 0.000 1.417 1277 Q CA 1.023 56.830 55.803 0.006 0.000 0.902 1277 Q CB -2.657 26.083 28.738 0.003 0.000 1.154 1277 Q HN 1.091 nan 8.270 nan 0.000 0.395 1278 G N -1.669 107.133 108.800 0.004 0.000 2.277 1278 G HA2 0.518 4.491 3.960 0.022 0.000 0.379 1278 G HA3 0.518 4.491 3.960 0.022 0.000 0.379 1278 G C 1.479 176.369 174.900 -0.016 0.000 1.354 1278 G CA 2.576 47.675 45.100 -0.003 0.000 1.158 1278 G HN 2.715 nan 8.290 nan 0.000 0.629 1279 M N -2.377 117.210 119.600 -0.022 0.000 7.319 1279 M HA -0.175 4.318 4.480 0.022 0.000 0.567 1279 M C 0.654 176.926 176.300 -0.047 0.000 0.480 1279 M CA 2.494 57.777 55.300 -0.029 0.000 1.311 1279 M CB -2.068 30.517 32.600 -0.025 0.000 0.421 1279 M HN 0.846 nan 8.290 nan 0.000 0.475 1280 D N 0.583 120.947 120.400 -0.060 0.000 2.430 1280 D HA 0.807 5.460 4.640 0.022 0.000 0.285 1280 D C 0.050 176.261 176.300 -0.148 0.000 1.210 1280 D CA 0.107 54.049 54.000 -0.097 0.000 1.080 1280 D CB 0.358 41.110 40.800 -0.080 0.000 1.134 1280 D HN 0.812 nan 8.370 nan 0.000 0.562 1281 L N 0.131 121.223 121.223 -0.218 0.000 2.341 1281 L HA 0.541 4.894 4.340 0.022 0.000 0.278 1281 L C -0.874 175.872 176.870 -0.207 0.000 1.005 1281 L CA -0.524 54.130 54.840 -0.310 0.000 0.818 1281 L CB 1.513 43.173 42.059 -0.666 0.000 1.259 1281 L HN 0.425 nan 8.230 nan 0.000 0.418 1282 S N 1.481 117.094 115.700 -0.144 0.000 2.668 1282 S HA 0.636 5.119 4.470 0.022 0.000 0.277 1282 S C -0.532 174.048 174.600 -0.034 0.000 1.170 1282 S CA -0.779 57.377 58.200 -0.072 0.000 0.994 1282 S CB 1.845 65.017 63.200 -0.045 0.000 1.051 1282 S HN 0.674 nan 8.310 nan 0.000 0.484 1283 A N 3.504 126.314 122.820 -0.015 0.000 2.805 1283 A HA 0.467 4.801 4.320 0.022 0.000 0.301 1283 A C 0.861 178.447 177.584 0.005 0.000 1.557 1283 A CA -0.390 51.654 52.037 0.012 0.000 1.254 1283 A CB -0.958 18.047 19.000 0.008 0.000 1.114 1283 A HN 0.927 nan 8.150 nan 0.000 0.553 1284 N N 0.555 119.263 118.700 0.014 0.000 2.559 1284 N HA 0.009 4.762 4.740 0.022 0.000 0.247 1284 N C 0.338 175.859 175.510 0.018 0.000 1.063 1284 N CA 0.020 53.075 53.050 0.010 0.000 0.876 1284 N CB -0.386 38.104 38.487 0.005 0.000 1.608 1284 N HN 0.395 nan 8.380 nan 0.000 0.467 1285 Q N 1.120 120.939 119.800 0.030 0.000 2.584 1285 Q HA 0.134 4.487 4.340 0.022 0.000 0.235 1285 Q C -0.187 175.833 176.000 0.034 0.000 1.079 1285 Q CA 0.690 56.513 55.803 0.032 0.000 0.977 1285 Q CB 0.320 29.083 28.738 0.042 0.000 1.293 1285 Q HN 0.660 nan 8.270 nan 0.000 0.553 1286 D N -1.653 118.765 120.400 0.029 0.000 2.914 1286 D HA 0.178 4.831 4.640 0.022 0.000 0.349 1286 D C -0.754 175.561 176.300 0.025 0.000 1.540 1286 D CA -0.133 53.884 54.000 0.028 0.000 0.778 1286 D CB 0.337 41.149 40.800 0.019 0.000 1.213 1286 D HN 0.433 nan 8.370 nan 0.000 0.451 1287 E N -0.066 120.149 120.200 0.025 0.000 2.445 1287 E HA 0.434 4.797 4.350 0.022 0.000 0.273 1287 E C -0.895 175.714 176.600 0.015 0.000 0.961 1287 E CA -0.821 55.589 56.400 0.017 0.000 0.807 1287 E CB 1.777 31.483 29.700 0.009 0.000 1.362 1287 E HN -0.068 nan 8.360 nan 0.000 0.453 1288 E N 0.926 121.128 120.200 0.003 0.000 2.989 1288 E HA 0.192 4.555 4.350 0.022 0.000 0.224 1288 E C -1.002 175.583 176.600 -0.025 0.000 1.175 1288 E CA -0.119 56.276 56.400 -0.009 0.000 1.300 1288 E CB 0.574 30.264 29.700 -0.016 0.000 1.422 1288 E HN 0.321 nan 8.360 nan 0.000 0.439 1289 T N -0.929 113.605 114.554 -0.033 0.000 2.862 1289 T HA 0.062 4.425 4.350 0.022 0.000 0.276 1289 T C 0.871 175.518 174.700 -0.088 0.000 0.974 1289 T CA -0.834 61.233 62.100 -0.055 0.000 0.966 1289 T CB 0.865 69.696 68.868 -0.062 0.000 1.072 1289 T HN 0.029 nan 8.240 nan 0.000 0.538 1290 D N 0.327 120.655 120.400 -0.119 0.000 2.254 1290 D HA -0.139 4.514 4.640 0.022 0.000 0.201 1290 D C 1.947 178.056 176.300 -0.319 0.000 0.998 1290 D CA 1.524 55.438 54.000 -0.143 0.000 0.885 1290 D CB -0.020 40.552 40.800 -0.379 0.000 0.915 1290 D HN 0.545 nan 8.370 nan 0.000 0.460 1291 Q N -0.598 119.006 119.800 -0.326 0.000 2.398 1291 Q HA -0.000 4.353 4.340 0.022 0.000 0.204 1291 Q C 0.952 176.853 176.000 -0.165 0.000 0.932 1291 Q CA 0.491 56.175 55.803 -0.198 0.000 0.916 1291 Q CB 0.305 29.005 28.738 -0.063 0.000 1.024 1291 Q HN 0.201 nan 8.270 nan 0.000 0.504 1292 E N -0.013 120.090 120.200 -0.163 0.000 2.444 1292 E HA 0.065 4.428 4.350 0.022 0.000 0.191 1292 E C -0.620 175.732 176.600 -0.412 0.000 1.041 1292 E CA 0.203 56.554 56.400 -0.080 0.000 0.883 1292 E CB 0.878 30.629 29.700 0.086 0.000 1.024 1292 E HN -0.071 nan 8.360 nan 0.000 0.470 1293 T N 0.735 114.886 114.554 -0.673 0.000 2.788 1293 T HA 0.438 4.801 4.350 0.022 0.000 0.296 1293 T C -0.931 173.503 174.700 -0.443 0.000 1.009 1293 T CA -0.481 61.380 62.100 -0.398 0.000 0.949 1293 T CB 0.112 68.923 68.868 -0.095 0.000 0.946 1293 T HN -0.069 nan 8.240 nan 0.000 0.453 1294 F N 2.060 122.074 119.950 0.106 0.000 2.477 1294 F HA 0.396 4.936 4.527 0.022 0.000 0.335 1294 F C 0.614 176.408 175.800 -0.010 0.000 1.130 1294 F CA -1.184 56.901 58.000 0.141 0.000 0.948 1294 F CB 1.600 40.593 39.000 -0.010 0.000 1.154 1294 F HN 0.371 nan 8.300 nan 0.000 0.439 1295 Q N 4.256 124.120 119.800 0.107 0.000 2.301 1295 Q HA 0.172 4.526 4.340 0.022 0.000 0.262 1295 Q C -0.370 175.634 176.000 0.007 0.000 1.168 1295 Q CA -0.277 55.465 55.803 -0.100 0.000 0.908 1295 Q CB 0.453 29.114 28.738 -0.127 0.000 1.348 1295 Q HN 0.797 nan 8.270 nan 0.000 0.441 1296 L N 5.743 126.934 121.223 -0.052 0.000 2.623 1296 L HA 0.058 4.411 4.340 0.022 0.000 0.281 1296 L C -0.411 176.388 176.870 -0.119 0.000 1.150 1296 L CA 0.122 54.885 54.840 -0.128 0.000 0.965 1296 L CB 0.061 41.987 42.059 -0.222 0.000 1.303 1296 L HN 0.583 nan 8.230 nan 0.000 0.467 1297 E N 7.052 127.189 120.200 -0.105 0.000 2.152 1297 E HA 0.186 4.549 4.350 0.022 0.000 0.285 1297 E C -0.360 176.259 176.600 0.031 0.000 1.043 1297 E CA -0.147 56.263 56.400 0.015 0.000 0.839 1297 E CB 1.355 31.119 29.700 0.106 0.000 1.069 1297 E HN 0.612 nan 8.360 nan 0.000 0.399 1298 I N 3.964 124.605 120.570 0.119 0.000 2.523 1298 I HA -0.004 4.179 4.170 0.022 0.000 0.281 1298 I C 0.204 176.440 176.117 0.199 0.000 1.126 1298 I CA -0.889 60.508 61.300 0.163 0.000 1.187 1298 I CB 0.107 38.244 38.000 0.228 0.000 1.478 1298 I HN 0.448 nan 8.210 nan 0.000 0.522 1299 D N 3.674 124.166 120.400 0.155 0.000 2.515 1299 D HA -0.126 4.527 4.640 0.022 0.000 0.232 1299 D C 1.028 177.332 176.300 0.007 0.000 1.157 1299 D CA 0.233 54.291 54.000 0.095 0.000 0.871 1299 D CB 1.020 41.858 40.800 0.064 0.000 1.200 1299 D HN 0.332 nan 8.370 nan 0.000 0.466 1300 R N 0.944 121.361 120.500 -0.138 0.000 2.120 1300 R HA -0.101 4.252 4.340 0.022 0.000 0.234 1300 R C 1.377 177.591 176.300 -0.143 0.000 1.123 1300 R CA 1.902 57.849 56.100 -0.254 0.000 0.975 1300 R CB -0.036 29.941 30.300 -0.538 0.000 0.866 1300 R HN 0.668 nan 8.270 nan 0.000 0.446 1301 D N -0.658 119.668 120.400 -0.122 0.000 2.188 1301 D HA -0.134 4.519 4.640 0.022 0.000 0.239 1301 D C 1.819 178.064 176.300 -0.091 0.000 1.059 1301 D CA 1.648 55.585 54.000 -0.105 0.000 0.931 1301 D CB -1.288 39.446 40.800 -0.111 0.000 1.011 1301 D HN 0.127 nan 8.370 nan 0.000 0.424 1302 T N -1.277 113.202 114.554 -0.126 0.000 2.760 1302 T HA -0.269 4.095 4.350 0.022 0.000 0.269 1302 T C 1.123 175.781 174.700 -0.070 0.000 1.047 1302 T CA 2.521 64.535 62.100 -0.144 0.000 1.139 1302 T CB -0.333 68.356 68.868 -0.299 0.000 0.855 1302 T HN 0.165 nan 8.240 nan 0.000 0.471 1303 K N -0.264 120.121 120.400 -0.025 0.000 3.529 1303 K HA -0.113 4.220 4.320 0.022 0.000 0.313 1303 K C -0.128 176.516 176.600 0.074 0.000 1.316 1303 K CA 1.273 57.589 56.287 0.047 0.000 0.988 1303 K CB -1.749 30.785 32.500 0.056 0.000 1.252 1303 K HN 0.692 nan 8.250 nan 0.000 0.438 1304 K N -0.216 120.201 120.400 0.028 0.000 2.154 1304 K HA 0.348 4.682 4.320 0.022 0.000 0.264 1304 K C 0.081 176.754 176.600 0.121 0.000 1.008 1304 K CA -0.194 56.134 56.287 0.068 0.000 0.937 1304 K CB 1.427 33.946 32.500 0.032 0.000 1.002 1304 K HN 0.244 nan 8.250 nan 0.000 0.469 1305 C N 1.632 120.977 119.300 0.074 0.000 2.350 1305 C HA 0.673 5.146 4.460 0.022 0.000 0.348 1305 C C -0.145 174.788 174.990 -0.096 0.000 1.260 1305 C CA -0.363 58.594 59.018 -0.102 0.000 1.966 1305 C CB -0.476 27.032 27.740 -0.387 0.000 2.380 1305 C HN 0.778 nan 8.230 nan 0.000 0.535 1306 A N 5.831 128.561 122.820 -0.152 0.000 2.842 1306 A HA 0.585 4.918 4.320 0.022 0.000 0.339 1306 A C -0.345 177.192 177.584 -0.078 0.000 1.177 1306 A CA -0.449 51.560 52.037 -0.046 0.000 0.797 1306 A CB -0.318 18.706 19.000 0.039 0.000 1.094 1306 A HN 0.808 nan 8.150 nan 0.000 0.474 1307 F N 1.470 121.328 119.950 -0.154 0.000 2.623 1307 F HA 0.099 4.639 4.527 0.022 0.000 0.386 1307 F C 1.340 177.052 175.800 -0.147 0.000 1.068 1307 F CA 0.692 58.477 58.000 -0.357 0.000 1.265 1307 F CB 0.545 38.826 39.000 -1.199 0.000 1.026 1307 F HN 0.365 nan 8.300 nan 0.000 0.568 1308 R N 1.822 122.389 120.500 0.112 0.000 2.460 1308 R HA 0.340 4.693 4.340 0.022 0.000 0.303 1308 R C -0.134 176.363 176.300 0.328 0.000 0.968 1308 R CA -0.443 55.635 56.100 -0.037 0.000 0.889 1308 R CB 1.700 32.016 30.300 0.026 0.000 1.123 1308 R HN 0.816 nan 8.270 nan 0.000 0.455 1309 T N -1.035 113.597 114.554 0.130 0.000 2.927 1309 T HA 0.195 4.558 4.350 0.022 0.000 0.281 1309 T C 1.433 175.851 174.700 -0.471 0.000 0.998 1309 T CA -0.397 61.756 62.100 0.087 0.000 1.019 1309 T CB 0.939 69.851 68.868 0.073 0.000 1.061 1309 T HN 0.772 nan 8.240 nan 0.000 0.518 1310 H N -0.834 117.704 119.070 -0.887 0.000 2.428 1310 H HA 0.037 4.606 4.556 0.022 0.000 0.296 1310 H C 2.092 177.024 175.328 -0.659 0.000 1.062 1310 H CA 1.456 56.659 56.048 -1.409 0.000 1.350 1310 H CB -0.857 28.024 29.762 -1.469 0.000 1.403 1310 H HN 0.701 nan 8.280 nan 0.000 0.533 1311 T N -1.476 112.424 114.554 -1.091 0.000 3.139 1311 T HA 0.027 4.390 4.350 0.022 0.000 0.267 1311 T C 1.812 176.320 174.700 -0.321 0.000 1.164 1311 T CA 1.100 62.847 62.100 -0.589 0.000 1.075 1311 T CB -1.004 67.571 68.868 -0.489 0.000 0.904 1311 T HN 0.939 nan 8.240 nan 0.000 0.540 1312 G N 0.131 108.735 108.800 -0.326 0.000 2.157 1312 G HA2 -0.192 3.782 3.960 0.022 0.000 0.239 1312 G HA3 -0.192 3.782 3.960 0.022 0.000 0.239 1312 G C 0.040 174.884 174.900 -0.094 0.000 0.982 1312 G CA 0.303 45.301 45.100 -0.170 0.000 0.650 1312 G HN 0.687 nan 8.290 nan 0.000 0.527 1313 K N -1.056 119.273 120.400 -0.119 0.000 2.583 1313 K HA 0.882 5.215 4.320 0.022 0.000 0.263 1313 K C -0.544 176.014 176.600 -0.069 0.000 1.038 1313 K CA -0.747 55.563 56.287 0.038 0.000 1.031 1313 K CB 0.460 32.991 32.500 0.053 0.000 1.399 1313 K HN 0.150 nan 8.250 nan 0.000 0.531 1314 Y N -1.026 119.369 120.300 0.159 0.000 2.492 1314 Y HA 0.277 4.840 4.550 0.022 0.000 0.346 1314 Y C -0.873 175.248 175.900 0.369 0.000 0.997 1314 Y CA -0.777 57.477 58.100 0.256 0.000 1.025 1314 Y CB 1.056 39.599 38.460 0.137 0.000 1.263 1314 Y HN 0.370 nan 8.280 nan 0.000 0.454 1315 W N 2.805 124.265 121.300 0.266 0.000 2.520 1315 W HA 0.246 4.919 4.660 0.022 0.000 0.337 1315 W C 0.076 176.776 176.519 0.302 0.000 1.406 1315 W CA -0.134 57.359 57.345 0.247 0.000 1.318 1315 W CB -0.308 29.305 29.460 0.255 0.000 1.338 1315 W HN 0.289 nan 8.180 nan 0.000 0.570 1316 T N 4.187 118.951 114.554 0.350 0.000 2.940 1316 T HA 0.647 5.010 4.350 0.022 0.000 0.288 1316 T C -0.832 173.966 174.700 0.165 0.000 1.045 1316 T CA -0.892 61.331 62.100 0.204 0.000 1.018 1316 T CB 1.690 70.624 68.868 0.111 0.000 1.151 1316 T HN 0.296 nan 8.240 nan 0.000 0.529 1317 L N 2.233 123.499 121.223 0.071 0.000 2.322 1317 L HA 0.672 5.025 4.340 0.022 0.000 0.281 1317 L C 0.211 177.093 176.870 0.020 0.000 1.014 1317 L CA -0.484 54.384 54.840 0.047 0.000 0.815 1317 L CB 1.456 43.508 42.059 -0.011 0.000 1.247 1317 L HN 0.868 nan 8.230 nan 0.000 0.421 1318 T N 1.286 115.852 114.554 0.020 0.000 2.912 1318 T HA 0.538 4.901 4.350 0.022 0.000 0.280 1318 T C 1.195 175.897 174.700 0.004 0.000 0.989 1318 T CA -0.103 62.002 62.100 0.008 0.000 0.995 1318 T CB 1.630 70.501 68.868 0.004 0.000 1.077 1318 T HN 0.725 nan 8.240 nan 0.000 0.531 1319 A N 1.286 124.106 122.820 -0.000 0.000 1.869 1319 A HA -0.116 4.217 4.320 0.022 0.000 0.218 1319 A C 2.424 180.009 177.584 0.001 0.000 1.203 1319 A CA 2.611 54.647 52.037 -0.002 0.000 0.638 1319 A CB -2.035 16.963 19.000 -0.003 0.000 0.831 1319 A HN 0.945 nan 8.150 nan 0.000 0.450 1320 T N -1.265 113.291 114.554 0.003 0.000 2.803 1320 T HA 0.205 4.569 4.350 0.022 0.000 0.269 1320 T C 1.428 176.135 174.700 0.012 0.000 1.052 1320 T CA 2.054 64.157 62.100 0.005 0.000 1.136 1320 T CB -0.387 68.483 68.868 0.004 0.000 0.864 1320 T HN 1.728 nan 8.240 nan 0.000 0.467 1321 G N 0.537 109.347 108.800 0.017 0.000 2.145 1321 G HA2 0.037 4.010 3.960 0.022 0.000 0.145 1321 G HA3 0.037 4.010 3.960 0.022 0.000 0.145 1321 G C 0.177 175.100 174.900 0.037 0.000 1.017 1321 G CA -0.464 44.656 45.100 0.032 0.000 0.682 1321 G HN 0.813 nan 8.290 nan 0.000 0.504 1322 G N -0.149 108.663 108.800 0.020 0.000 2.339 1322 G HA2 0.639 4.612 3.960 0.022 0.000 0.287 1322 G HA3 0.639 4.612 3.960 0.022 0.000 0.287 1322 G C 0.092 174.994 174.900 0.003 0.000 1.163 1322 G CA -0.102 44.999 45.100 0.002 0.000 0.872 1322 G HN 0.926 nan 8.290 nan 0.000 0.464 1323 V N 3.151 123.048 119.914 -0.029 0.000 2.465 1323 V HA 0.495 4.628 4.120 0.022 0.000 0.279 1323 V C 0.228 176.219 176.094 -0.172 0.000 1.045 1323 V CA -0.427 61.836 62.300 -0.062 0.000 0.938 1323 V CB 0.700 32.433 31.823 -0.149 0.000 0.986 1323 V HN 0.953 nan 8.190 nan 0.000 0.467 1324 Q N 2.484 122.206 119.800 -0.129 0.000 2.456 1324 Q HA 0.553 4.906 4.340 0.022 0.000 0.284 1324 Q C -0.450 175.488 176.000 -0.102 0.000 1.061 1324 Q CA -0.710 55.013 55.803 -0.132 0.000 0.799 1324 Q CB 2.011 30.717 28.738 -0.054 0.000 1.445 1324 Q HN 0.620 nan 8.270 nan 0.000 0.411 1325 S N 0.508 116.153 115.700 -0.092 0.000 3.513 1325 S HA 0.142 4.625 4.470 0.022 0.000 0.209 1325 S C 0.051 174.679 174.600 0.047 0.000 1.446 1325 S CA 0.267 58.464 58.200 -0.005 0.000 1.150 1325 S CB 0.233 63.431 63.200 -0.004 0.000 1.266 1325 S HN 0.685 nan 8.310 nan 0.000 0.502 1326 T N 1.426 116.027 114.554 0.078 0.000 3.478 1326 T HA 0.479 4.842 4.350 0.022 0.000 0.223 1326 T C 0.889 175.647 174.700 0.097 0.000 0.958 1326 T CA 0.482 62.620 62.100 0.063 0.000 1.324 1326 T CB -0.675 68.214 68.868 0.034 0.000 1.262 1326 T HN 0.772 nan 8.240 nan 0.000 0.379 1327 A N 2.199 125.080 122.820 0.101 0.000 2.522 1327 A HA 0.128 4.461 4.320 0.022 0.000 0.275 1327 A C 1.536 179.200 177.584 0.133 0.000 1.058 1327 A CA 0.788 52.873 52.037 0.081 0.000 0.880 1327 A CB -0.502 18.519 19.000 0.034 0.000 0.946 1327 A HN 0.615 nan 8.150 nan 0.000 0.526 1328 S N 1.895 117.652 115.700 0.095 0.000 2.383 1328 S HA -0.165 4.318 4.470 0.022 0.000 0.229 1328 S C 2.061 176.744 174.600 0.138 0.000 1.030 1328 S CA 1.865 60.139 58.200 0.122 0.000 1.002 1328 S CB -0.100 63.138 63.200 0.064 0.000 0.829 1328 S HN 1.082 nan 8.310 nan 0.000 0.467 1329 S N -1.041 114.677 115.700 0.032 0.000 2.514 1329 S HA 0.449 4.932 4.470 0.022 0.000 0.223 1329 S C 0.201 174.694 174.600 -0.177 0.000 1.046 1329 S CA -0.243 57.944 58.200 -0.022 0.000 0.914 1329 S CB 0.415 63.610 63.200 -0.009 0.000 0.807 1329 S HN 0.150 nan 8.310 nan 0.000 0.497 1330 K N 0.129 120.371 120.400 -0.263 0.000 6.867 1330 K HA 0.366 4.699 4.320 0.022 0.000 0.846 1330 K C -2.064 174.405 176.600 -0.217 0.000 1.057 1330 K CA -0.202 55.855 56.287 -0.382 0.000 0.923 1330 K CB -0.219 32.116 32.500 -0.275 0.000 1.452 1330 K HN 0.242 nan 8.250 nan 0.000 0.684 1331 N N -1.224 117.340 118.700 -0.227 0.000 3.951 1331 N HA 0.488 5.241 4.740 0.022 0.000 0.222 1331 N C -0.536 174.917 175.510 -0.096 0.000 1.352 1331 N CA 0.251 53.229 53.050 -0.120 0.000 0.852 1331 N CB 0.825 39.249 38.487 -0.105 0.000 1.444 1331 N HN 0.426 nan 8.380 nan 0.000 0.473 1332 A N -0.067 122.753 122.820 0.000 0.000 1.975 1332 A HA 0.023 4.357 4.320 0.022 0.000 0.215 1332 A C 1.386 178.964 177.584 -0.010 0.000 1.170 1332 A CA 1.807 53.897 52.037 0.090 0.000 0.656 1332 A CB -0.630 18.402 19.000 0.053 0.000 0.821 1332 A HN 0.725 nan 8.150 nan 0.000 0.449 1333 S N -1.266 114.389 115.700 -0.074 0.000 2.653 1333 S HA -0.067 4.416 4.470 0.022 0.000 0.233 1333 S C 1.209 175.692 174.600 -0.195 0.000 0.970 1333 S CA 0.827 58.960 58.200 -0.112 0.000 0.947 1333 S CB -0.945 62.222 63.200 -0.056 0.000 0.771 1333 S HN 0.550 nan 8.310 nan 0.000 0.538 1334 C N -0.055 119.083 119.300 -0.270 0.000 2.912 1334 C HA 0.382 4.855 4.460 0.022 0.000 0.274 1334 C C 0.249 175.006 174.990 -0.388 0.000 1.248 1334 C CA -0.778 58.075 59.018 -0.275 0.000 1.694 1334 C CB -1.111 26.398 27.740 -0.386 0.000 2.024 1334 C HN 0.587 nan 8.230 nan 0.000 0.605 1335 Y N 0.171 120.294 120.300 -0.296 0.000 2.328 1335 Y HA 0.551 5.114 4.550 0.022 0.000 0.337 1335 Y C 0.030 175.659 175.900 -0.451 0.000 1.008 1335 Y CA -0.522 57.450 58.100 -0.214 0.000 1.129 1335 Y CB 0.446 38.828 38.460 -0.130 0.000 1.185 1335 Y HN 0.077 nan 8.280 nan 0.000 0.476 1336 F N 1.242 121.247 119.950 0.092 0.000 2.579 1336 F HA 0.441 4.981 4.527 0.022 0.000 0.324 1336 F C -0.483 175.315 175.800 -0.003 0.000 1.058 1336 F CA -1.296 56.730 58.000 0.044 0.000 0.944 1336 F CB 1.437 40.455 39.000 0.030 0.000 1.245 1336 F HN 0.337 nan 8.300 nan 0.000 0.477 1337 D N 2.218 122.734 120.400 0.193 0.000 2.381 1337 D HA 0.355 5.008 4.640 0.022 0.000 0.235 1337 D C -0.501 175.804 176.300 0.008 0.000 1.068 1337 D CA -0.239 53.813 54.000 0.086 0.000 0.832 1337 D CB 2.210 43.066 40.800 0.093 0.000 1.101 1337 D HN 0.127 nan 8.370 nan 0.000 0.515 1338 I N 1.558 122.017 120.570 -0.186 0.000 2.496 1338 I HA -0.032 4.151 4.170 0.022 0.000 0.285 1338 I C 1.809 177.662 176.117 -0.439 0.000 1.080 1338 I CA 0.261 61.254 61.300 -0.513 0.000 1.404 1338 I CB 0.802 38.066 38.000 -1.227 0.000 1.403 1338 I HN 0.412 nan 8.210 nan 0.000 0.539 1339 E N 5.475 125.504 120.200 -0.286 0.000 2.489 1339 E HA -0.007 4.356 4.350 0.022 0.000 0.193 1339 E C -0.257 176.348 176.600 0.008 0.000 1.057 1339 E CA -0.016 56.329 56.400 -0.091 0.000 0.866 1339 E CB 0.214 29.882 29.700 -0.053 0.000 0.916 1339 E HN 0.522 nan 8.360 nan 0.000 0.500 1340 W N -0.233 121.131 121.300 0.107 0.000 2.703 1340 W HA -0.385 4.288 4.660 0.022 0.000 0.215 1340 W C 1.084 177.627 176.519 0.040 0.000 0.676 1340 W CA 0.745 58.154 57.345 0.105 0.000 0.798 1340 W CB -0.619 28.923 29.460 0.136 0.000 0.996 1340 W HN 0.097 nan 8.180 nan 0.000 0.400 1341 R N -0.105 120.542 120.500 0.245 0.000 2.416 1341 R HA -0.098 4.255 4.340 0.022 0.000 0.154 1341 R C -0.857 175.387 176.300 -0.093 0.000 0.476 1341 R CA 0.696 56.825 56.100 0.048 0.000 1.010 1341 R CB -1.752 28.572 30.300 0.039 0.000 1.046 1341 R HN 0.907 nan 8.270 nan 0.000 0.559 1342 D N 1.456 121.797 120.400 -0.098 0.000 3.688 1342 D HA -0.247 4.406 4.640 0.022 0.000 0.214 1342 D C 0.603 176.619 176.300 -0.473 0.000 1.071 1342 D CA 1.432 55.104 54.000 -0.547 0.000 1.124 1342 D CB -0.002 39.878 40.800 -1.533 0.000 0.760 1342 D HN 0.406 nan 8.370 nan 0.000 0.383 1343 R N 0.201 120.776 120.500 0.125 0.000 1.214 1343 R HA -0.099 4.254 4.340 0.022 0.000 0.049 1343 R C 0.359 176.750 176.300 0.152 0.000 0.947 1343 R CA 1.086 57.300 56.100 0.189 0.000 1.974 1343 R CB -0.818 29.531 30.300 0.082 0.000 0.298 1343 R HN 0.547 nan 8.270 nan 0.000 0.722 1344 R N 0.139 120.706 120.500 0.112 0.000 3.029 1344 R HA 0.782 5.136 4.340 0.022 0.000 0.239 1344 R C -0.525 175.868 176.300 0.154 0.000 1.351 1344 R CA -0.443 55.737 56.100 0.133 0.000 1.052 1344 R CB 1.371 31.714 30.300 0.072 0.000 1.354 1344 R HN 0.207 nan 8.270 nan 0.000 0.499 1345 I N -1.005 119.661 120.570 0.160 0.000 3.102 1345 I HA 0.430 4.613 4.170 0.022 0.000 0.310 1345 I C -1.012 175.160 176.117 0.092 0.000 1.246 1345 I CA -0.486 60.886 61.300 0.119 0.000 0.979 1345 I CB 2.933 41.003 38.000 0.117 0.000 1.267 1345 I HN 0.544 nan 8.210 nan 0.000 0.451 1346 T N 4.439 118.972 114.554 -0.035 0.000 2.930 1346 T HA 0.631 4.994 4.350 0.022 0.000 0.290 1346 T C -1.169 173.486 174.700 -0.076 0.000 1.052 1346 T CA -0.509 61.555 62.100 -0.060 0.000 1.017 1346 T CB 1.987 70.717 68.868 -0.230 0.000 1.137 1346 T HN 0.240 nan 8.240 nan 0.000 0.511 1347 L N 2.023 123.264 121.223 0.030 0.000 2.442 1347 L HA 0.420 4.773 4.340 0.022 0.000 0.261 1347 L C -0.058 177.061 176.870 0.414 0.000 1.000 1347 L CA -0.286 54.622 54.840 0.113 0.000 0.882 1347 L CB 0.996 42.999 42.059 -0.093 0.000 1.207 1347 L HN 0.417 nan 8.230 nan 0.000 0.443 1348 R N 2.255 123.025 120.500 0.450 0.000 2.298 1348 R HA 0.686 5.039 4.340 0.022 0.000 0.310 1348 R C 0.068 176.522 176.300 0.257 0.000 1.068 1348 R CA 0.179 56.526 56.100 0.412 0.000 0.957 1348 R CB 1.072 31.568 30.300 0.326 0.000 1.003 1348 R HN 0.710 nan 8.270 nan 0.000 0.454 1349 A N 2.435 125.348 122.820 0.155 0.000 2.621 1349 A HA 0.164 4.497 4.320 0.022 0.000 0.267 1349 A C 1.121 178.634 177.584 -0.119 0.000 1.506 1349 A CA -0.144 51.908 52.037 0.025 0.000 0.873 1349 A CB 0.538 19.594 19.000 0.094 0.000 1.577 1349 A HN 0.763 nan 8.150 nan 0.000 0.536 1350 S N -0.070 115.515 115.700 -0.191 0.000 2.377 1350 S HA -0.126 4.357 4.470 0.022 0.000 0.223 1350 S C 1.432 175.979 174.600 -0.089 0.000 1.030 1350 S CA 1.306 59.422 58.200 -0.140 0.000 0.970 1350 S CB -0.625 62.486 63.200 -0.149 0.000 0.830 1350 S HN 0.826 nan 8.310 nan 0.000 0.473 1351 N N 1.107 119.762 118.700 -0.075 0.000 2.535 1351 N HA 0.118 4.872 4.740 0.022 0.000 0.203 1351 N C 1.069 176.525 175.510 -0.090 0.000 1.301 1351 N CA 0.943 53.955 53.050 -0.064 0.000 0.859 1351 N CB -1.162 37.300 38.487 -0.042 0.000 1.055 1351 N HN 0.397 nan 8.380 nan 0.000 0.457 1352 G N -0.369 108.365 108.800 -0.111 0.000 2.230 1352 G HA2 -0.371 3.602 3.960 0.022 0.000 0.270 1352 G HA3 -0.371 3.602 3.960 0.022 0.000 0.270 1352 G C -0.034 174.683 174.900 -0.305 0.000 0.987 1352 G CA 0.859 45.856 45.100 -0.172 0.000 0.664 1352 G HN 0.512 nan 8.290 nan 0.000 0.539 1353 K N -0.092 120.178 120.400 -0.217 0.000 2.118 1353 K HA 0.519 4.852 4.320 0.022 0.000 0.267 1353 K C -0.042 176.462 176.600 -0.161 0.000 0.991 1353 K CA -0.749 55.396 56.287 -0.237 0.000 0.916 1353 K CB 0.894 33.349 32.500 -0.075 0.000 1.041 1353 K HN 0.028 nan 8.250 nan 0.000 0.455 1354 F N 0.714 120.717 119.950 0.088 0.000 2.418 1354 F HA 0.073 4.613 4.527 0.023 0.000 0.341 1354 F C 0.835 176.719 175.800 0.141 0.000 1.120 1354 F CA -0.732 57.337 58.000 0.116 0.000 1.232 1354 F CB 0.385 39.448 39.000 0.104 0.000 1.175 1354 F HN 0.049 nan 8.300 nan 0.000 0.569 1355 V N 2.566 122.725 119.914 0.408 0.000 2.498 1355 V HA 0.343 4.476 4.120 0.022 0.000 0.279 1355 V C 0.295 176.596 176.094 0.346 0.000 1.048 1355 V CA -0.011 62.479 62.300 0.316 0.000 0.967 1355 V CB 1.229 33.207 31.823 0.258 0.000 0.988 1355 V HN 0.892 nan 8.190 nan 0.000 0.473 1356 T N 2.584 117.287 114.554 0.247 0.000 2.858 1356 T HA 0.484 4.847 4.350 0.022 0.000 0.285 1356 T C -0.211 174.565 174.700 0.126 0.000 1.052 1356 T CA -0.362 61.847 62.100 0.182 0.000 1.009 1356 T CB 1.709 70.649 68.868 0.119 0.000 1.241 1356 T HN 0.757 nan 8.240 nan 0.000 0.542 1357 S N 1.821 117.548 115.700 0.046 0.000 2.328 1357 S HA 0.432 4.915 4.470 0.022 0.000 0.204 1357 S C -0.101 174.498 174.600 -0.002 0.000 1.475 1357 S CA -0.922 57.283 58.200 0.008 0.000 1.148 1357 S CB -0.120 63.048 63.200 -0.054 0.000 1.077 1357 S HN 0.559 nan 8.310 nan 0.000 0.479 1358 K N 1.865 122.270 120.400 0.008 0.000 2.542 1358 K HA 0.006 4.339 4.320 0.022 0.000 0.276 1358 K C 0.948 177.544 176.600 -0.006 0.000 0.963 1358 K CA 0.009 56.298 56.287 0.004 0.000 0.975 1358 K CB 0.457 32.960 32.500 0.005 0.000 0.901 1358 K HN 0.464 nan 8.250 nan 0.000 0.506 1359 K N 1.473 121.870 120.400 -0.005 0.000 2.144 1359 K HA -0.258 4.075 4.320 0.022 0.000 0.209 1359 K C 1.383 177.978 176.600 -0.009 0.000 1.047 1359 K CA 2.375 58.657 56.287 -0.007 0.000 0.927 1359 K CB -0.284 32.213 32.500 -0.005 0.000 0.716 1359 K HN 0.602 nan 8.250 nan 0.000 0.454 1360 N N -0.896 117.799 118.700 -0.008 0.000 2.521 1360 N HA 0.019 4.772 4.740 0.022 0.000 0.188 1360 N C 1.035 176.537 175.510 -0.013 0.000 1.146 1360 N CA 0.837 53.881 53.050 -0.010 0.000 0.893 1360 N CB 0.369 38.850 38.487 -0.009 0.000 0.975 1360 N HN 0.223 nan 8.380 nan 0.000 0.451 1361 G N -0.393 108.399 108.800 -0.014 0.000 2.267 1361 G HA2 -0.437 3.536 3.960 0.022 0.000 0.257 1361 G HA3 -0.437 3.536 3.960 0.022 0.000 0.257 1361 G C 0.052 174.938 174.900 -0.024 0.000 0.998 1361 G CA 0.543 45.632 45.100 -0.018 0.000 0.620 1361 G HN 0.848 nan 8.290 nan 0.000 0.529 1362 Q N 0.835 120.619 119.800 -0.026 0.000 2.421 1362 Q HA 0.525 4.878 4.340 0.022 0.000 0.255 1362 Q C 0.388 176.368 176.000 -0.033 0.000 1.013 1362 Q CA -0.444 55.334 55.803 -0.041 0.000 0.895 1362 Q CB 0.385 29.102 28.738 -0.036 0.000 1.271 1362 Q HN 0.436 nan 8.270 nan 0.000 0.460 1363 L N 2.623 123.806 121.223 -0.067 0.000 2.361 1363 L HA 0.460 4.814 4.340 0.022 0.000 0.278 1363 L C -0.371 176.500 176.870 0.001 0.000 1.113 1363 L CA -0.368 54.450 54.840 -0.037 0.000 0.849 1363 L CB 0.682 42.648 42.059 -0.156 0.000 1.155 1363 L HN 0.789 nan 8.230 nan 0.000 0.452 1364 A N 3.258 126.111 122.820 0.055 0.000 2.353 1364 A HA 0.761 5.094 4.320 0.022 0.000 0.299 1364 A C 0.160 177.811 177.584 0.111 0.000 1.089 1364 A CA -0.186 51.890 52.037 0.065 0.000 0.736 1364 A CB 1.436 20.464 19.000 0.047 0.000 1.195 1364 A HN 0.810 nan 8.150 nan 0.000 0.447 1365 A N 1.983 124.873 122.820 0.117 0.000 3.141 1365 A HA 0.458 4.792 4.320 0.022 0.000 0.158 1365 A C 1.569 179.210 177.584 0.096 0.000 1.606 1365 A CA 1.290 53.407 52.037 0.134 0.000 1.052 1365 A CB -1.059 18.011 19.000 0.116 0.000 1.645 1365 A HN 2.446 nan 8.150 nan 0.000 0.778 1366 S N -3.531 112.204 115.700 0.059 0.000 3.445 1366 S HA -0.142 4.341 4.470 0.022 0.000 0.319 1366 S C -0.029 174.604 174.600 0.055 0.000 1.209 1366 S CA 0.608 58.831 58.200 0.039 0.000 0.934 1366 S CB -2.794 60.426 63.200 0.034 0.000 0.999 1366 S HN 1.419 nan 8.310 nan 0.000 0.582 1367 V N 0.952 120.921 119.914 0.092 0.000 2.483 1367 V HA 0.476 4.609 4.120 0.022 0.000 0.295 1367 V C 1.049 177.209 176.094 0.110 0.000 1.035 1367 V CA -0.571 61.806 62.300 0.128 0.000 0.896 1367 V CB 1.736 33.680 31.823 0.202 0.000 0.986 1367 V HN 0.470 nan 8.190 nan 0.000 0.447 1368 E N 1.263 121.524 120.200 0.101 0.000 2.526 1368 E HA 0.172 4.535 4.350 0.022 0.000 0.208 1368 E C -0.336 176.367 176.600 0.171 0.000 0.997 1368 E CA 0.099 56.514 56.400 0.026 0.000 0.961 1368 E CB 1.020 30.714 29.700 -0.009 0.000 1.030 1368 E HN 0.771 nan 8.360 nan 0.000 0.483 1369 T N 0.773 115.519 114.554 0.319 0.000 2.881 1369 T HA 0.481 4.844 4.350 0.022 0.000 0.290 1369 T C -0.213 174.684 174.700 0.328 0.000 1.000 1369 T CA -0.824 61.482 62.100 0.343 0.000 0.978 1369 T CB 1.797 70.764 68.868 0.166 0.000 0.997 1369 T HN 0.088 nan 8.240 nan 0.000 0.443 1370 A N 2.153 125.031 122.820 0.097 0.000 2.573 1370 A HA 0.450 4.783 4.320 0.022 0.000 0.250 1370 A C 1.391 178.925 177.584 -0.084 0.000 1.049 1370 A CA 0.389 52.231 52.037 -0.325 0.000 0.767 1370 A CB -0.322 18.432 19.000 -0.410 0.000 0.965 1370 A HN 1.084 nan 8.150 nan 0.000 0.514 1371 G N 0.422 109.187 108.800 -0.058 0.000 2.497 1371 G HA2 0.294 4.267 3.960 0.022 0.000 0.210 1371 G HA3 0.294 4.267 3.960 0.022 0.000 0.210 1371 G C 0.657 175.545 174.900 -0.021 0.000 1.177 1371 G CA 1.300 46.398 45.100 -0.003 0.000 0.822 1371 G HN 0.896 nan 8.290 nan 0.000 0.550 1372 D N -1.893 118.484 120.400 -0.038 0.000 1.727 1372 D HA -0.159 4.494 4.640 0.022 0.000 0.219 1372 D C 1.554 177.822 176.300 -0.054 0.000 1.123 1372 D CA 1.311 55.285 54.000 -0.042 0.000 1.268 1372 D CB -1.460 39.322 40.800 -0.031 0.000 1.411 1372 D HN 0.234 nan 8.370 nan 0.000 0.681 1373 S N -0.095 115.579 115.700 -0.044 0.000 2.605 1373 S HA 0.164 4.647 4.470 0.022 0.000 0.217 1373 S C 0.804 175.356 174.600 -0.080 0.000 0.958 1373 S CA 0.326 58.488 58.200 -0.063 0.000 0.919 1373 S CB 0.326 63.504 63.200 -0.036 0.000 0.780 1373 S HN 0.270 nan 8.310 nan 0.000 0.507 1374 E N 0.390 120.558 120.200 -0.053 0.000 2.583 1374 E HA 0.274 4.637 4.350 0.022 0.000 0.213 1374 E C -0.813 175.797 176.600 0.018 0.000 0.989 1374 E CA -0.162 56.243 56.400 0.009 0.000 0.991 1374 E CB 0.361 30.114 29.700 0.088 0.000 1.040 1374 E HN 0.126 nan 8.360 nan 0.000 0.481 1375 L N 1.210 122.381 121.223 -0.088 0.000 2.319 1375 L HA 0.332 4.686 4.340 0.022 0.000 0.280 1375 L C -0.631 176.158 176.870 -0.135 0.000 1.099 1375 L CA 0.044 54.867 54.840 -0.029 0.000 0.828 1375 L CB -0.089 41.945 42.059 -0.041 0.000 1.150 1375 L HN -0.018 nan 8.230 nan 0.000 0.442 1376 F N 3.937 123.885 119.950 -0.003 0.000 2.458 1376 F HA 0.499 5.038 4.527 0.021 0.000 0.330 1376 F C 0.133 175.966 175.800 0.054 0.000 1.082 1376 F CA -0.626 57.384 58.000 0.016 0.000 0.995 1376 F CB 1.497 40.495 39.000 -0.003 0.000 1.170 1376 F HN 0.228 nan 8.300 nan 0.000 0.478 1377 L N 4.837 126.194 121.223 0.224 0.000 2.282 1377 L HA 0.619 4.972 4.340 0.022 0.000 0.288 1377 L C -1.024 176.001 176.870 0.258 0.000 1.033 1377 L CA -0.399 54.580 54.840 0.230 0.000 0.807 1377 L CB 1.026 43.195 42.059 0.183 0.000 1.209 1377 L HN 0.762 nan 8.230 nan 0.000 0.423 1378 M N 6.127 125.902 119.600 0.292 0.000 2.395 1378 M HA 0.426 4.919 4.480 0.022 0.000 0.307 1378 M C -1.511 174.898 176.300 0.182 0.000 1.091 1378 M CA -0.663 54.773 55.300 0.226 0.000 0.919 1378 M CB 1.590 34.352 32.600 0.269 0.000 1.662 1378 M HN 0.604 nan 8.290 nan 0.000 0.440 1379 K N 5.742 126.108 120.400 -0.057 0.000 2.637 1379 K HA 0.396 4.729 4.320 0.022 0.000 0.248 1379 K C -1.676 174.807 176.600 -0.195 0.000 0.971 1379 K CA -0.585 55.405 56.287 -0.494 0.000 0.858 1379 K CB 1.460 33.326 32.500 -1.058 0.000 1.170 1379 K HN 0.856 nan 8.250 nan 0.000 0.443 1380 L N 5.471 126.734 121.223 0.066 0.000 2.601 1380 L HA -0.046 4.307 4.340 0.022 0.000 0.277 1380 L C 0.768 177.617 176.870 -0.036 0.000 1.219 1380 L CA 0.046 54.938 54.840 0.087 0.000 0.915 1380 L CB 0.301 42.524 42.059 0.273 0.000 1.160 1380 L HN 0.779 nan 8.230 nan 0.000 0.494 1381 I N 0.080 120.606 120.570 -0.074 0.000 4.082 1381 I HA 0.125 4.308 4.170 0.022 0.000 0.337 1381 I C 0.727 176.812 176.117 -0.055 0.000 1.352 1381 I CA 0.153 61.406 61.300 -0.079 0.000 1.097 1381 I CB -0.236 37.702 38.000 -0.104 0.000 1.048 1381 I HN 0.589 nan 8.210 nan 0.000 0.393 1382 N N 1.188 119.858 118.700 -0.050 0.000 2.433 1382 N HA 0.174 4.927 4.740 0.022 0.000 0.270 1382 N C 0.162 175.667 175.510 -0.009 0.000 1.354 1382 N CA -0.195 52.824 53.050 -0.052 0.000 0.889 1382 N CB 0.398 38.814 38.487 -0.118 0.000 1.285 1382 N HN 0.085 nan 8.380 nan 0.000 0.503 1383 R N 0.685 121.203 120.500 0.030 0.000 2.661 1383 R HA 0.313 4.666 4.340 0.022 0.000 0.429 1383 R C -1.898 174.435 176.300 0.056 0.000 1.044 1383 R CA -1.240 54.886 56.100 0.042 0.000 1.065 1383 R CB 0.514 30.852 30.300 0.064 0.000 1.377 1383 R HN 0.206 nan 8.270 nan 0.000 0.600 1384 P HA -0.053 nan 4.420 nan 0.000 0.228 1384 P C 0.334 177.686 177.300 0.085 0.000 1.151 1384 P CA 0.843 63.994 63.100 0.085 0.000 0.770 1384 P CB 0.938 32.682 31.700 0.074 0.000 0.786 1385 I N 0.651 121.240 120.570 0.032 0.000 2.439 1385 I HA 0.267 4.450 4.170 0.022 0.000 0.283 1385 I C -1.019 175.069 176.117 -0.049 0.000 1.023 1385 I CA -1.483 59.803 61.300 -0.023 0.000 1.100 1385 I CB 1.140 39.069 38.000 -0.118 0.000 1.238 1385 I HN -0.314 nan 8.210 nan 0.000 0.445 1386 I N 6.923 127.463 120.570 -0.050 0.000 2.892 1386 I HA 0.693 4.876 4.170 0.022 0.000 0.306 1386 I C -0.707 175.298 176.117 -0.187 0.000 1.078 1386 I CA -0.984 60.230 61.300 -0.143 0.000 1.032 1386 I CB 1.703 39.522 38.000 -0.303 0.000 1.229 1386 I HN 0.071 nan 8.210 nan 0.000 0.435 1387 V N 2.883 122.639 119.914 -0.263 0.000 2.876 1387 V HA 0.545 4.678 4.120 0.022 0.000 0.312 1387 V C -1.177 174.855 176.094 -0.104 0.000 1.085 1387 V CA -0.502 61.693 62.300 -0.175 0.000 0.945 1387 V CB 2.082 33.696 31.823 -0.348 0.000 1.017 1387 V HN 0.523 nan 8.190 nan 0.000 0.428 1388 F N 2.797 123.012 119.950 0.441 0.000 2.467 1388 F HA 0.694 5.233 4.527 0.020 0.000 0.336 1388 F C 0.234 176.352 175.800 0.530 0.000 1.123 1388 F CA -0.513 57.738 58.000 0.418 0.000 0.964 1388 F CB 1.603 40.709 39.000 0.177 0.000 1.136 1388 F HN 0.283 nan 8.300 nan 0.000 0.447 1389 R N 2.096 122.976 120.500 0.634 0.000 2.435 1389 R HA 0.613 4.966 4.340 0.022 0.000 0.308 1389 R C 0.087 176.576 176.300 0.314 0.000 0.975 1389 R CA -0.374 55.928 56.100 0.336 0.000 0.867 1389 R CB 1.063 31.354 30.300 -0.016 0.000 1.171 1389 R HN 0.876 nan 8.270 nan 0.000 0.470 1390 G N 2.202 111.218 108.800 0.360 0.000 2.928 1390 G HA2 0.035 4.008 3.960 0.022 0.000 0.163 1390 G HA3 0.035 4.008 3.960 0.022 0.000 0.163 1390 G C 0.256 175.041 174.900 -0.191 0.000 1.573 1390 G CA -0.117 44.951 45.100 -0.054 0.000 1.084 1390 G HN 0.696 nan 8.290 nan 0.000 0.569 1391 E N -0.077 119.927 120.200 -0.326 0.000 2.022 1391 E HA -0.022 4.342 4.350 0.022 0.000 0.190 1391 E C 0.278 176.701 176.600 -0.296 0.000 0.973 1391 E CA 0.612 56.763 56.400 -0.416 0.000 0.816 1391 E CB -0.138 29.102 29.700 -0.765 0.000 0.781 1391 E HN 0.407 nan 8.360 nan 0.000 0.456 1392 H N 0.616 119.663 119.070 -0.038 0.000 2.432 1392 H HA 0.591 5.160 4.556 0.022 0.000 0.226 1392 H C 0.480 175.815 175.328 0.011 0.000 1.634 1392 H CA 0.161 56.199 56.048 -0.018 0.000 1.253 1392 H CB 0.347 30.105 29.762 -0.007 0.000 1.584 1392 H HN 0.396 nan 8.280 nan 0.000 0.545 1393 G N 0.323 109.147 108.800 0.038 0.000 2.355 1393 G HA2 -0.045 3.928 3.960 0.022 0.000 0.619 1393 G HA3 -0.045 3.928 3.960 0.022 0.000 0.619 1393 G C -1.228 173.694 174.900 0.036 0.000 1.337 1393 G CA -1.189 43.949 45.100 0.063 0.000 0.993 1393 G HN 0.155 nan 8.290 nan 0.000 0.599 1394 F N -0.173 119.934 119.950 0.262 0.000 2.370 1394 F HA 0.663 5.203 4.527 0.022 0.000 0.319 1394 F C 1.473 177.471 175.800 0.330 0.000 1.129 1394 F CA -0.558 57.641 58.000 0.331 0.000 1.109 1394 F CB 0.958 40.171 39.000 0.355 0.000 1.262 1394 F HN 0.331 nan 8.300 nan 0.000 0.534 1395 I N 1.318 122.247 120.570 0.599 0.000 2.441 1395 I HA 0.512 4.695 4.170 0.022 0.000 0.287 1395 I C 0.404 176.847 176.117 0.543 0.000 1.049 1395 I CA 0.011 61.577 61.300 0.443 0.000 1.381 1395 I CB 0.415 38.591 38.000 0.293 0.000 1.409 1395 I HN 0.644 nan 8.210 nan 0.000 0.523 1396 G N 4.749 113.787 108.800 0.397 0.000 2.702 1396 G HA2 0.416 4.389 3.960 0.022 0.000 0.296 1396 G HA3 0.416 4.389 3.960 0.022 0.000 0.296 1396 G C -1.069 173.970 174.900 0.231 0.000 1.463 1396 G CA -0.635 44.675 45.100 0.351 0.000 0.890 1396 G HN 0.720 nan 8.290 nan 0.000 0.534 1397 C N 0.541 119.973 119.300 0.221 0.000 2.657 1397 C HA 0.681 5.154 4.460 0.022 0.000 0.404 1397 C C 1.239 176.274 174.990 0.076 0.000 1.291 1397 C CA -0.747 58.344 59.018 0.122 0.000 2.218 1397 C CB 0.424 28.242 27.740 0.130 0.000 2.687 1397 C HN 0.971 nan 8.230 nan 0.000 0.634 1398 R N 1.295 121.819 120.500 0.040 0.000 2.840 1398 R HA 0.145 4.498 4.340 0.022 0.000 0.282 1398 R C 1.384 177.703 176.300 0.031 0.000 1.133 1398 R CA 0.229 56.348 56.100 0.031 0.000 1.208 1398 R CB 0.235 30.544 30.300 0.015 0.000 1.160 1398 R HN 0.838 nan 8.270 nan 0.000 0.576 1399 K N -0.354 120.060 120.400 0.024 0.000 1.992 1399 K HA 0.029 4.362 4.320 0.022 0.000 0.210 1399 K C 0.272 176.883 176.600 0.018 0.000 1.036 1399 K CA 1.453 57.752 56.287 0.020 0.000 0.946 1399 K CB 0.227 32.736 32.500 0.014 0.000 0.742 1399 K HN 0.357 nan 8.250 nan 0.000 0.442 1400 V N 1.427 121.350 119.914 0.014 0.000 2.838 1400 V HA 0.065 4.199 4.120 0.022 0.000 0.363 1400 V C 0.821 176.922 176.094 0.011 0.000 1.324 1400 V CA 0.263 62.571 62.300 0.013 0.000 1.220 1400 V CB 0.343 32.172 31.823 0.011 0.000 1.328 1400 V HN 0.612 nan 8.190 nan 0.000 0.595 1401 T N -3.355 111.205 114.554 0.010 0.000 3.056 1401 T HA 0.407 4.770 4.350 0.022 0.000 0.243 1401 T C 1.566 176.269 174.700 0.004 0.000 0.995 1401 T CA 1.307 63.411 62.100 0.006 0.000 1.091 1401 T CB 0.950 69.819 68.868 0.002 0.000 0.990 1401 T HN 1.101 nan 8.240 nan 0.000 0.464 1402 G N 1.127 109.929 108.800 0.003 0.000 2.192 1402 G HA2 -0.128 3.845 3.960 0.022 0.000 0.193 1402 G HA3 -0.128 3.845 3.960 0.022 0.000 0.193 1402 G C 0.147 175.028 174.900 -0.032 0.000 0.999 1402 G CA -0.001 45.099 45.100 0.000 0.000 0.659 1402 G HN 0.831 nan 8.290 nan 0.000 0.503 1403 T N 2.725 117.257 114.554 -0.037 0.000 2.918 1403 T HA 0.545 4.908 4.350 0.022 0.000 0.302 1403 T C 0.536 175.177 174.700 -0.098 0.000 1.045 1403 T CA -0.295 61.761 62.100 -0.074 0.000 1.114 1403 T CB 1.680 70.519 68.868 -0.048 0.000 0.965 1403 T HN 0.119 nan 8.240 nan 0.000 0.540 1404 L N 3.148 124.254 121.223 -0.194 0.000 2.360 1404 L HA 0.277 4.631 4.340 0.022 0.000 0.276 1404 L C 0.285 177.093 176.870 -0.102 0.000 1.121 1404 L CA 0.006 54.712 54.840 -0.224 0.000 0.845 1404 L CB 0.150 41.885 42.059 -0.540 0.000 1.143 1404 L HN 0.651 nan 8.230 nan 0.000 0.452 1405 D N 2.219 122.614 120.400 -0.008 0.000 2.264 1405 D HA 0.321 4.974 4.640 0.022 0.000 0.250 1405 D C 0.771 177.126 176.300 0.092 0.000 1.113 1405 D CA -0.128 53.903 54.000 0.052 0.000 0.871 1405 D CB 1.728 42.583 40.800 0.092 0.000 1.167 1405 D HN 0.607 nan 8.370 nan 0.000 0.447 1406 A N 2.967 125.867 122.820 0.132 0.000 2.169 1406 A HA -0.076 4.257 4.320 0.022 0.000 0.212 1406 A C 0.905 178.658 177.584 0.282 0.000 1.153 1406 A CA 0.424 52.621 52.037 0.266 0.000 0.756 1406 A CB -0.333 18.881 19.000 0.356 0.000 0.813 1406 A HN 0.581 nan 8.150 nan 0.000 0.471 1407 N N -1.125 117.698 118.700 0.204 0.000 2.377 1407 N HA 0.129 4.882 4.740 0.022 0.000 0.259 1407 N C -0.117 175.502 175.510 0.182 0.000 1.332 1407 N CA -0.491 52.671 53.050 0.188 0.000 0.877 1407 N CB -0.061 38.520 38.487 0.156 0.000 1.299 1407 N HN 0.228 nan 8.380 nan 0.000 0.501 1408 R N -0.096 120.536 120.500 0.219 0.000 2.801 1408 R HA 0.154 4.507 4.340 0.022 0.000 0.273 1408 R C 0.849 177.297 176.300 0.247 0.000 1.080 1408 R CA 0.588 56.811 56.100 0.204 0.000 1.197 1408 R CB 0.350 30.774 30.300 0.205 0.000 1.109 1408 R HN 0.433 nan 8.270 nan 0.000 0.535 1409 S N -1.084 114.732 115.700 0.193 0.000 2.517 1409 S HA 0.094 4.577 4.470 0.022 0.000 0.214 1409 S C 0.319 175.090 174.600 0.285 0.000 0.991 1409 S CA -0.294 58.017 58.200 0.185 0.000 0.906 1409 S CB 0.521 63.751 63.200 0.051 0.000 0.789 1409 S HN 0.379 nan 8.310 nan 0.000 0.513 1410 S N 1.156 116.994 115.700 0.231 0.000 2.570 1410 S HA 0.585 5.069 4.470 0.022 0.000 0.286 1410 S C -1.420 173.175 174.600 -0.009 0.000 1.099 1410 S CA -0.935 57.297 58.200 0.052 0.000 0.913 1410 S CB 0.986 64.073 63.200 -0.188 0.000 1.085 1410 S HN 0.475 nan 8.310 nan 0.000 0.480 1411 Y N -0.083 120.130 120.300 -0.144 0.000 2.518 1411 Y HA 0.559 5.121 4.550 0.021 0.000 0.344 1411 Y C -0.294 175.516 175.900 -0.150 0.000 0.982 1411 Y CA -1.508 56.386 58.100 -0.343 0.000 1.234 1411 Y CB -0.762 37.040 38.460 -1.097 0.000 1.114 1411 Y HN 0.319 nan 8.280 nan 0.000 0.515 1412 D N 2.419 122.822 120.400 0.005 0.000 2.419 1412 D HA 0.115 4.768 4.640 0.022 0.000 0.236 1412 D C -0.561 175.467 176.300 -0.453 0.000 1.165 1412 D CA 0.087 53.957 54.000 -0.217 0.000 0.882 1412 D CB 1.490 42.111 40.800 -0.299 0.000 1.201 1412 D HN 0.437 nan 8.370 nan 0.000 0.443 1413 V N 3.362 123.010 119.914 -0.443 0.000 2.313 1413 V HA 0.239 4.372 4.120 0.022 0.000 0.278 1413 V C -0.405 175.455 176.094 -0.391 0.000 1.017 1413 V CA -0.593 61.482 62.300 -0.375 0.000 0.823 1413 V CB -0.126 31.579 31.823 -0.196 0.000 1.010 1413 V HN 0.280 nan 8.190 nan 0.000 0.443 1414 F N 3.528 123.514 119.950 0.061 0.000 2.379 1414 F HA 0.544 5.082 4.527 0.018 0.000 0.332 1414 F C 0.813 176.616 175.800 0.005 0.000 1.096 1414 F CA -0.707 57.328 58.000 0.060 0.000 1.105 1414 F CB 0.901 39.961 39.000 0.099 0.000 1.189 1414 F HN 0.489 nan 8.300 nan 0.000 0.515 1415 Q N 2.468 122.393 119.800 0.208 0.000 2.195 1415 Q HA 0.827 5.180 4.340 0.022 0.000 0.250 1415 Q C -1.412 174.662 176.000 0.123 0.000 0.988 1415 Q CA -1.213 54.682 55.803 0.153 0.000 0.911 1415 Q CB 2.283 31.132 28.738 0.185 0.000 1.258 1415 Q HN 0.643 nan 8.270 nan 0.000 0.475 1416 L N -2.388 118.912 121.223 0.129 0.000 2.565 1416 L HA 0.515 4.868 4.340 0.022 0.000 0.261 1416 L C -1.174 175.801 176.870 0.174 0.000 0.932 1416 L CA -0.659 54.261 54.840 0.134 0.000 0.878 1416 L CB 2.170 44.323 42.059 0.157 0.000 1.333 1416 L HN 0.733 nan 8.230 nan 0.000 0.409 1417 E N 2.264 122.567 120.200 0.172 0.000 2.232 1417 E HA 0.572 4.935 4.350 0.022 0.000 0.264 1417 E C -1.553 175.154 176.600 0.178 0.000 0.973 1417 E CA -0.622 55.878 56.400 0.166 0.000 0.849 1417 E CB 2.547 32.329 29.700 0.137 0.000 1.198 1417 E HN 0.540 nan 8.360 nan 0.000 0.407 1418 F N 1.363 121.296 119.950 -0.029 0.000 2.482 1418 F HA 0.390 4.930 4.527 0.022 0.000 0.331 1418 F C -0.927 174.796 175.800 -0.129 0.000 1.115 1418 F CA -0.801 57.119 58.000 -0.133 0.000 0.955 1418 F CB 1.577 40.509 39.000 -0.112 0.000 1.136 1418 F HN 0.389 nan 8.300 nan 0.000 0.452 1419 N N 4.828 122.996 118.700 -0.887 0.000 2.581 1419 N HA 0.320 5.073 4.740 0.022 0.000 0.279 1419 N C -0.490 174.533 175.510 -0.810 0.000 1.124 1419 N CA -0.077 52.597 53.050 -0.626 0.000 0.833 1419 N CB 0.705 38.978 38.487 -0.357 0.000 1.338 1419 N HN 0.747 nan 8.380 nan 0.000 0.533 1420 D N 2.039 122.043 120.400 -0.660 0.000 4.744 1420 D HA -0.160 4.493 4.640 0.022 0.000 0.141 1420 D C 0.594 176.615 176.300 -0.464 0.000 0.668 1420 D CA 2.497 56.259 54.000 -0.396 0.000 1.194 1420 D CB -1.212 39.439 40.800 -0.247 0.000 0.713 1420 D HN 0.622 nan 8.370 nan 0.000 0.567 1421 G N -0.092 108.479 108.800 -0.383 0.000 4.530 1421 G HA2 0.648 4.621 3.960 0.022 0.000 0.284 1421 G HA3 0.648 4.621 3.960 0.022 0.000 0.284 1421 G C -0.185 174.603 174.900 -0.186 0.000 1.008 1421 G CA 1.018 46.055 45.100 -0.104 0.000 0.770 1421 G HN 0.616 nan 8.290 nan 0.000 0.424 1422 A N -0.023 122.435 122.820 -0.604 0.000 2.313 1422 A HA 0.923 5.256 4.320 0.022 0.000 0.323 1422 A C -1.615 175.429 177.584 -0.900 0.000 1.133 1422 A CA -0.788 50.866 52.037 -0.638 0.000 0.847 1422 A CB 1.324 19.999 19.000 -0.541 0.000 1.308 1422 A HN 0.249 nan 8.150 nan 0.000 0.475 1423 Y N -0.152 119.884 120.300 -0.440 0.000 2.421 1423 Y HA 0.361 4.923 4.550 0.021 0.000 0.339 1423 Y C -0.352 175.417 175.900 -0.218 0.000 0.996 1423 Y CA -0.487 57.386 58.100 -0.377 0.000 1.046 1423 Y CB 2.303 40.260 38.460 -0.838 0.000 1.226 1423 Y HN 0.785 nan 8.280 nan 0.000 0.445 1424 N N 3.038 121.742 118.700 0.007 0.000 2.430 1424 N HA 0.628 5.381 4.740 0.022 0.000 0.292 1424 N C -1.564 173.948 175.510 0.004 0.000 1.051 1424 N CA -0.585 52.501 53.050 0.060 0.000 0.917 1424 N CB 1.535 40.057 38.487 0.059 0.000 1.164 1424 N HN 0.323 nan 8.380 nan 0.000 0.484 1425 I N 1.347 121.794 120.570 -0.204 0.000 2.412 1425 I HA 0.350 4.533 4.170 0.022 0.000 0.296 1425 I C 0.037 176.020 176.117 -0.224 0.000 0.987 1425 I CA -0.351 60.628 61.300 -0.535 0.000 1.180 1425 I CB 1.250 38.166 38.000 -1.807 0.000 1.340 1425 I HN 0.406 nan 8.210 nan 0.000 0.455 1426 K N 4.622 124.963 120.400 -0.097 0.000 2.482 1426 K HA 0.374 4.707 4.320 0.022 0.000 0.251 1426 K C -1.334 175.316 176.600 0.082 0.000 0.936 1426 K CA -0.676 55.558 56.287 -0.088 0.000 0.791 1426 K CB 1.591 33.972 32.500 -0.198 0.000 1.213 1426 K HN 0.731 nan 8.250 nan 0.000 0.428 1427 D N 1.408 121.884 120.400 0.128 0.000 2.451 1427 D HA 0.116 4.770 4.640 0.022 0.000 0.259 1427 D C 0.490 176.863 176.300 0.121 0.000 1.201 1427 D CA -0.223 53.929 54.000 0.253 0.000 1.028 1427 D CB 0.868 41.860 40.800 0.321 0.000 1.095 1427 D HN 0.377 nan 8.370 nan 0.000 0.539 1428 S N -0.940 114.831 115.700 0.120 0.000 2.368 1428 S HA -0.188 4.295 4.470 0.022 0.000 0.225 1428 S C 1.974 176.612 174.600 0.063 0.000 1.030 1428 S CA 1.858 60.111 58.200 0.089 0.000 0.999 1428 S CB -1.016 62.226 63.200 0.071 0.000 0.844 1428 S HN 0.829 nan 8.310 nan 0.000 0.459 1429 T N -0.944 113.641 114.554 0.053 0.000 2.915 1429 T HA 0.240 4.603 4.350 0.022 0.000 0.269 1429 T C 1.544 176.247 174.700 0.006 0.000 1.071 1429 T CA 1.276 63.396 62.100 0.034 0.000 1.132 1429 T CB -0.512 68.378 68.868 0.038 0.000 0.878 1429 T HN 0.832 nan 8.240 nan 0.000 0.479 1430 G N 0.980 109.767 108.800 -0.021 0.000 2.135 1430 G HA2 -0.119 3.854 3.960 0.022 0.000 0.183 1430 G HA3 -0.119 3.854 3.960 0.022 0.000 0.183 1430 G C -0.075 174.707 174.900 -0.197 0.000 1.004 1430 G CA -0.223 44.811 45.100 -0.110 0.000 0.677 1430 G HN 0.577 nan 8.290 nan 0.000 0.512 1431 K N -0.623 119.709 120.400 -0.113 0.000 2.098 1431 K HA 0.704 5.037 4.320 0.022 0.000 0.244 1431 K C -0.100 176.403 176.600 -0.161 0.000 1.014 1431 K CA -0.462 55.782 56.287 -0.071 0.000 0.917 1431 K CB 0.609 33.141 32.500 0.053 0.000 1.072 1431 K HN 0.187 nan 8.250 nan 0.000 0.477 1432 Y N -1.068 119.326 120.300 0.157 0.000 2.602 1432 Y HA 0.243 4.802 4.550 0.014 0.000 0.330 1432 Y C -0.143 175.938 175.900 0.301 0.000 1.114 1432 Y CA -0.599 57.621 58.100 0.200 0.000 1.182 1432 Y CB 0.884 39.433 38.460 0.148 0.000 1.305 1432 Y HN 0.388 nan 8.280 nan 0.000 0.502 1433 W N 2.502 123.918 121.300 0.194 0.000 2.481 1433 W HA 0.352 5.022 4.660 0.016 0.000 0.320 1433 W C -0.200 176.487 176.519 0.279 0.000 1.209 1433 W CA -1.022 56.379 57.345 0.093 0.000 1.400 1433 W CB -0.014 29.312 29.460 -0.224 0.000 1.361 1433 W HN 0.333 nan 8.180 nan 0.000 0.456 1434 T N -0.460 114.275 114.554 0.302 0.000 2.936 1434 T HA 0.656 5.019 4.350 0.022 0.000 0.282 1434 T C -0.646 174.126 174.700 0.120 0.000 1.003 1434 T CA -0.950 61.268 62.100 0.197 0.000 1.005 1434 T CB 2.186 71.119 68.868 0.107 0.000 1.097 1434 T HN 0.024 nan 8.240 nan 0.000 0.532 1435 V N 1.026 120.968 119.914 0.047 0.000 2.398 1435 V HA 0.659 4.792 4.120 0.022 0.000 0.286 1435 V C 0.772 176.862 176.094 -0.005 0.000 1.026 1435 V CA -0.400 61.904 62.300 0.007 0.000 0.868 1435 V CB 1.092 32.896 31.823 -0.031 0.000 0.982 1435 V HN 1.194 nan 8.190 nan 0.000 0.443 1436 G N 3.280 112.075 108.800 -0.008 0.000 2.467 1436 G HA2 0.294 4.267 3.960 0.022 0.000 0.257 1436 G HA3 0.294 4.267 3.960 0.022 0.000 0.257 1436 G C 1.175 176.071 174.900 -0.007 0.000 1.227 1436 G CA 0.320 45.416 45.100 -0.007 0.000 0.835 1436 G HN 1.185 nan 8.290 nan 0.000 0.556 1437 S N 0.816 116.513 115.700 -0.005 0.000 2.444 1437 S HA -0.255 4.229 4.470 0.022 0.000 0.244 1437 S C 1.403 176.002 174.600 -0.002 0.000 1.025 1437 S CA 1.980 60.177 58.200 -0.005 0.000 0.995 1437 S CB -0.241 62.957 63.200 -0.003 0.000 0.781 1437 S HN 0.693 nan 8.310 nan 0.000 0.496 1438 D N -0.365 120.035 120.400 -0.000 0.000 2.339 1438 D HA 0.270 4.924 4.640 0.022 0.000 0.217 1438 D C 0.868 177.172 176.300 0.007 0.000 1.050 1438 D CA 0.617 54.620 54.000 0.004 0.000 0.856 1438 D CB -0.277 40.527 40.800 0.006 0.000 0.922 1438 D HN 0.380 nan 8.370 nan 0.000 0.518 1439 S N -1.675 114.027 115.700 0.003 0.000 2.154 1439 S HA -0.162 4.321 4.470 0.022 0.000 0.247 1439 S C 0.839 175.443 174.600 0.007 0.000 1.170 1439 S CA 0.428 58.633 58.200 0.007 0.000 1.419 1439 S CB -1.806 61.405 63.200 0.018 0.000 1.768 1439 S HN 0.848 nan 8.310 nan 0.000 0.587 1440 A N 2.366 125.186 122.820 0.000 0.000 2.524 1440 A HA 0.516 4.849 4.320 0.022 0.000 0.250 1440 A C 0.694 178.254 177.584 -0.040 0.000 1.078 1440 A CA 0.184 52.212 52.037 -0.016 0.000 0.761 1440 A CB 0.141 19.133 19.000 -0.014 0.000 1.012 1440 A HN 0.592 nan 8.150 nan 0.000 0.500 1441 V N 2.003 121.868 119.914 -0.082 0.000 3.385 1441 V HA 0.717 4.850 4.120 0.022 0.000 0.301 1441 V C 0.852 176.835 176.094 -0.186 0.000 1.082 1441 V CA 0.247 62.467 62.300 -0.134 0.000 1.085 1441 V CB 1.405 33.072 31.823 -0.260 0.000 1.152 1441 V HN 1.129 nan 8.190 nan 0.000 0.465 1442 T N -0.447 113.978 114.554 -0.214 0.000 3.087 1442 T HA 0.199 4.562 4.350 0.022 0.000 0.351 1442 T C 0.272 174.879 174.700 -0.155 0.000 1.520 1442 T CA 0.214 62.209 62.100 -0.176 0.000 1.111 1442 T CB 1.720 70.545 68.868 -0.070 0.000 1.353 1442 T HN 0.654 nan 8.240 nan 0.000 0.481 1443 S N 1.844 117.466 115.700 -0.129 0.000 2.528 1443 S HA 0.212 4.695 4.470 0.022 0.000 0.219 1443 S C 0.870 175.517 174.600 0.078 0.000 0.985 1443 S CA 0.499 58.693 58.200 -0.010 0.000 0.914 1443 S CB -0.232 62.993 63.200 0.042 0.000 0.776 1443 S HN 0.905 nan 8.310 nan 0.000 0.526 1444 S N 0.901 116.628 115.700 0.046 0.000 2.548 1444 S HA 0.667 5.150 4.470 0.022 0.000 0.277 1444 S C 0.333 174.984 174.600 0.085 0.000 1.315 1444 S CA -0.038 58.199 58.200 0.062 0.000 1.050 1444 S CB 0.947 64.170 63.200 0.039 0.000 0.918 1444 S HN 0.788 nan 8.310 nan 0.000 0.497 1445 G N 1.982 110.842 108.800 0.101 0.000 2.453 1445 G HA2 0.171 4.144 3.960 0.022 0.000 0.665 1445 G HA3 0.171 4.144 3.960 0.022 0.000 0.665 1445 G C -1.111 173.897 174.900 0.181 0.000 1.411 1445 G CA -0.676 44.494 45.100 0.117 0.000 0.889 1445 G HN 0.658 nan 8.290 nan 0.000 0.651 1446 D N -0.177 120.319 120.400 0.161 0.000 2.463 1446 D HA 0.311 4.964 4.640 0.022 0.000 0.224 1446 D C 0.712 177.115 176.300 0.172 0.000 1.174 1446 D CA 0.103 54.234 54.000 0.218 0.000 0.829 1446 D CB 0.875 41.758 40.800 0.139 0.000 0.993 1446 D HN 0.386 nan 8.370 nan 0.000 0.497 1447 T N 2.288 116.916 114.554 0.123 0.000 3.029 1447 T HA 0.290 4.653 4.350 0.022 0.000 0.346 1447 T C -2.587 172.057 174.700 -0.095 0.000 1.211 1447 T CA -1.703 60.400 62.100 0.004 0.000 1.009 1447 T CB 0.933 69.810 68.868 0.016 0.000 1.084 1447 T HN -0.096 nan 8.240 nan 0.000 0.536 1448 P HA 0.162 nan 4.420 nan 0.000 0.264 1448 P C -0.152 176.990 177.300 -0.265 0.000 1.229 1448 P CA -0.302 62.417 63.100 -0.634 0.000 0.780 1448 P CB 0.310 31.467 31.700 -0.905 0.000 0.808 1449 V N 1.719 121.573 119.914 -0.099 0.000 2.547 1449 V HA 0.513 4.647 4.120 0.022 0.000 0.299 1449 V C -0.564 175.483 176.094 -0.078 0.000 1.040 1449 V CA -0.826 61.422 62.300 -0.086 0.000 0.913 1449 V CB 1.767 33.551 31.823 -0.065 0.000 0.992 1449 V HN 0.178 nan 8.190 nan 0.000 0.449 1450 D N 4.933 125.183 120.400 -0.249 0.000 2.264 1450 D HA 0.500 5.153 4.640 0.022 0.000 0.250 1450 D C -0.585 175.351 176.300 -0.607 0.000 1.113 1450 D CA 0.519 54.309 54.000 -0.350 0.000 0.871 1450 D CB 1.138 41.685 40.800 -0.421 0.000 1.167 1450 D HN 0.518 nan 8.370 nan 0.000 0.447 1451 F N 0.676 120.308 119.950 -0.531 0.000 2.557 1451 F HA 0.543 5.081 4.527 0.019 0.000 0.336 1451 F C -0.079 175.311 175.800 -0.684 0.000 1.058 1451 F CA -0.999 56.734 58.000 -0.445 0.000 0.988 1451 F CB 1.153 40.087 39.000 -0.111 0.000 1.275 1451 F HN 0.126 nan 8.300 nan 0.000 0.488 1452 F N 2.009 122.140 119.950 0.302 0.000 2.499 1452 F HA 0.430 4.972 4.527 0.025 0.000 0.333 1452 F C -0.896 175.124 175.800 0.367 0.000 1.138 1452 F CA -0.831 57.321 58.000 0.254 0.000 0.945 1452 F CB 0.951 40.017 39.000 0.110 0.000 1.181 1452 F HN 0.060 nan 8.300 nan 0.000 0.435 1453 F N 2.140 122.217 119.950 0.211 0.000 2.410 1453 F HA 0.350 4.889 4.527 0.021 0.000 0.348 1453 F C 0.269 175.859 175.800 -0.351 0.000 1.106 1453 F CA -1.371 56.481 58.000 -0.247 0.000 1.163 1453 F CB 1.011 39.612 39.000 -0.665 0.000 1.129 1453 F HN 0.431 nan 8.300 nan 0.000 0.516 1454 E N 3.815 123.766 120.200 -0.416 0.000 2.267 1454 E HA 0.232 4.595 4.350 0.022 0.000 0.248 1454 E C -1.350 174.794 176.600 -0.759 0.000 0.899 1454 E CA -0.581 55.252 56.400 -0.946 0.000 0.764 1454 E CB 1.014 30.272 29.700 -0.737 0.000 1.227 1454 E HN 0.227 nan 8.360 nan 0.000 0.421 1455 F N 1.836 121.498 119.950 -0.480 0.000 2.490 1455 F HA 0.045 4.585 4.527 0.022 0.000 0.357 1455 F C 1.005 176.829 175.800 0.041 0.000 1.166 1455 F CA -0.493 57.456 58.000 -0.085 0.000 1.116 1455 F CB -0.016 39.038 39.000 0.089 0.000 1.171 1455 F HN 0.501 nan 8.300 nan 0.000 0.576 1456 C N 0.420 119.791 119.300 0.118 0.000 2.865 1456 C HA 0.166 4.639 4.460 0.022 0.000 0.280 1456 C C 0.856 175.955 174.990 0.181 0.000 1.255 1456 C CA 0.062 59.166 59.018 0.144 0.000 1.705 1456 C CB -0.666 27.071 27.740 -0.006 0.000 2.080 1456 C HN 0.782 nan 8.230 nan 0.000 0.591 1457 D N -1.187 119.339 120.400 0.210 0.000 2.727 1457 D HA 0.226 4.879 4.640 0.022 0.000 0.264 1457 D C 0.341 176.849 176.300 0.347 0.000 1.101 1457 D CA -0.682 53.465 54.000 0.245 0.000 1.122 1457 D CB 0.592 41.518 40.800 0.210 0.000 1.390 1457 D HN 0.392 nan 8.370 nan 0.000 0.606 1458 Y N -0.018 120.338 120.300 0.094 0.000 2.490 1458 Y HA 0.282 4.846 4.550 0.022 0.000 0.281 1458 Y C 0.620 176.572 175.900 0.086 0.000 1.174 1458 Y CA 0.369 58.525 58.100 0.092 0.000 1.295 1458 Y CB 0.049 38.535 38.460 0.043 0.000 1.062 1458 Y HN 0.217 nan 8.280 nan 0.000 0.522 1459 N N -0.867 117.671 118.700 -0.270 0.000 2.066 1459 N HA 0.108 4.861 4.740 0.022 0.000 0.223 1459 N C -1.211 174.069 175.510 -0.383 0.000 1.403 1459 N CA -0.320 52.401 53.050 -0.548 0.000 0.766 1459 N CB -0.122 37.770 38.487 -0.992 0.000 1.207 1459 N HN 0.228 nan 8.380 nan 0.000 0.545 1460 K N 0.409 120.875 120.400 0.110 0.000 2.426 1460 K HA 0.633 4.966 4.320 0.022 0.000 0.251 1460 K C -1.557 175.215 176.600 0.287 0.000 0.941 1460 K CA -0.835 55.556 56.287 0.173 0.000 0.808 1460 K CB 3.484 36.014 32.500 0.050 0.000 1.265 1460 K HN -0.077 nan 8.250 nan 0.000 0.432 1461 V N 0.929 120.954 119.914 0.186 0.000 2.914 1461 V HA 0.746 4.880 4.120 0.022 0.000 0.314 1461 V C -1.423 174.666 176.094 -0.009 0.000 1.084 1461 V CA -0.562 61.663 62.300 -0.125 0.000 0.963 1461 V CB 1.952 33.390 31.823 -0.641 0.000 1.025 1461 V HN 0.924 nan 8.190 nan 0.000 0.432 1462 A N 6.023 128.801 122.820 -0.069 0.000 2.330 1462 A HA 0.851 5.184 4.320 0.022 0.000 0.327 1462 A C -0.854 176.860 177.584 0.217 0.000 1.155 1462 A CA -0.540 51.584 52.037 0.144 0.000 0.803 1462 A CB 0.797 19.824 19.000 0.045 0.000 1.208 1462 A HN 0.738 nan 8.150 nan 0.000 0.477 1463 I N 2.150 122.931 120.570 0.351 0.000 2.321 1463 I HA 0.333 4.516 4.170 0.022 0.000 0.291 1463 I C 0.338 176.674 176.117 0.366 0.000 0.998 1463 I CA -0.121 61.382 61.300 0.340 0.000 1.227 1463 I CB 1.489 39.620 38.000 0.220 0.000 1.368 1463 I HN 0.580 nan 8.210 nan 0.000 0.466 1464 K N 5.888 126.460 120.400 0.287 0.000 2.221 1464 K HA 0.675 5.008 4.320 0.022 0.000 0.258 1464 K C -1.563 175.139 176.600 0.171 0.000 0.944 1464 K CA -0.633 55.692 56.287 0.063 0.000 0.823 1464 K CB 2.369 34.746 32.500 -0.204 0.000 1.113 1464 K HN 0.405 nan 8.250 nan 0.000 0.431 1465 V N 3.635 123.563 119.914 0.024 0.000 2.419 1465 V HA 0.489 4.622 4.120 0.022 0.000 0.287 1465 V C -0.273 175.780 176.094 -0.068 0.000 1.017 1465 V CA 0.461 62.688 62.300 -0.121 0.000 0.844 1465 V CB 0.748 32.342 31.823 -0.381 0.000 1.011 1465 V HN 1.002 nan 8.190 nan 0.000 0.429 1466 G N 4.853 113.656 108.800 0.005 0.000 2.392 1466 G HA2 0.149 4.122 3.960 0.022 0.000 0.290 1466 G HA3 0.149 4.122 3.960 0.022 0.000 0.290 1466 G C 1.336 176.210 174.900 -0.043 0.000 1.032 1466 G CA 0.797 45.888 45.100 -0.015 0.000 1.269 1466 G HN 2.571 nan 8.290 nan 0.000 0.511 1467 G N -0.300 108.458 108.800 -0.071 0.000 2.353 1467 G HA2 -0.326 3.647 3.960 0.022 0.000 0.258 1467 G HA3 -0.326 3.647 3.960 0.022 0.000 0.258 1467 G C 0.756 175.568 174.900 -0.147 0.000 1.013 1467 G CA 1.375 46.412 45.100 -0.106 0.000 0.622 1467 G HN 1.175 nan 8.290 nan 0.000 0.535 1468 R N -0.331 120.099 120.500 -0.116 0.000 2.604 1468 R HA 0.632 4.986 4.340 0.022 0.000 0.287 1468 R C -0.685 175.551 176.300 -0.108 0.000 0.970 1468 R CA -0.921 55.138 56.100 -0.068 0.000 0.946 1468 R CB 0.642 30.951 30.300 0.015 0.000 1.127 1468 R HN 0.246 nan 8.270 nan 0.000 0.473 1469 Y N 0.801 121.158 120.300 0.096 0.000 2.310 1469 Y HA 0.300 4.864 4.550 0.022 0.000 0.326 1469 Y C 0.906 176.909 175.900 0.171 0.000 1.151 1469 Y CA -0.532 57.648 58.100 0.133 0.000 1.195 1469 Y CB 0.945 39.464 38.460 0.100 0.000 1.210 1469 Y HN 0.250 nan 8.280 nan 0.000 0.483 1470 L N 4.214 125.685 121.223 0.414 0.000 2.410 1470 L HA 0.206 4.559 4.340 0.022 0.000 0.273 1470 L C -0.458 176.722 176.870 0.515 0.000 1.144 1470 L CA 0.030 55.107 54.840 0.395 0.000 0.863 1470 L CB 0.326 42.582 42.059 0.329 0.000 1.140 1470 L HN 0.638 nan 8.230 nan 0.000 0.463 1471 K N 2.118 122.750 120.400 0.386 0.000 2.581 1471 K HA 0.429 4.762 4.320 0.022 0.000 0.249 1471 K C -0.328 176.433 176.600 0.268 0.000 0.966 1471 K CA -0.633 55.833 56.287 0.298 0.000 0.811 1471 K CB 1.482 34.054 32.500 0.120 0.000 1.223 1471 K HN 0.457 nan 8.250 nan 0.000 0.438 1472 G N 4.513 113.510 108.800 0.328 0.000 2.369 1472 G HA2 -0.038 3.935 3.960 0.022 0.000 0.287 1472 G HA3 -0.038 3.935 3.960 0.022 0.000 0.287 1472 G C 0.154 175.133 174.900 0.132 0.000 1.009 1472 G CA 0.147 45.394 45.100 0.245 0.000 1.393 1472 G HN 0.907 nan 8.290 nan 0.000 0.432 1473 D N 1.657 122.133 120.400 0.128 0.000 2.158 1473 D HA -0.047 4.606 4.640 0.022 0.000 0.275 1473 D C 0.203 176.603 176.300 0.167 0.000 1.170 1473 D CA -0.266 53.808 54.000 0.123 0.000 1.007 1473 D CB -0.122 40.746 40.800 0.113 0.000 1.144 1473 D HN 0.313 nan 8.370 nan 0.000 0.509 1474 H N -1.332 117.762 119.070 0.039 0.000 2.848 1474 H HA 0.382 4.951 4.556 0.022 0.000 0.341 1474 H C 0.768 176.119 175.328 0.039 0.000 1.060 1474 H CA 1.463 57.533 56.048 0.036 0.000 1.444 1474 H CB 0.530 30.307 29.762 0.026 0.000 1.446 1474 H HN 0.593 nan 8.280 nan 0.000 0.583 1475 A N 2.704 125.445 122.820 -0.130 0.000 3.553 1475 A HA -0.143 4.190 4.320 0.022 0.000 0.261 1475 A C 1.828 179.414 177.584 0.004 0.000 1.096 1475 A CA 1.482 53.472 52.037 -0.078 0.000 1.308 1475 A CB -2.206 16.776 19.000 -0.031 0.000 1.084 1475 A HN 1.973 nan 8.150 nan 0.000 0.914 1476 G N -2.132 106.698 108.800 0.049 0.000 2.176 1476 G HA2 0.031 4.004 3.960 0.022 0.000 0.252 1476 G HA3 0.031 4.004 3.960 0.022 0.000 0.252 1476 G C 0.447 175.399 174.900 0.087 0.000 1.024 1476 G CA 0.738 45.892 45.100 0.089 0.000 0.755 1476 G HN 1.904 nan 8.290 nan 0.000 0.507 1477 V N 0.101 120.056 119.914 0.068 0.000 2.924 1477 V HA 0.475 4.608 4.120 0.022 0.000 0.305 1477 V C 1.032 177.163 176.094 0.060 0.000 1.073 1477 V CA -0.620 61.707 62.300 0.046 0.000 1.098 1477 V CB 1.637 33.481 31.823 0.034 0.000 1.000 1477 V HN 0.351 nan 8.190 nan 0.000 0.484 1478 L N 5.475 126.697 121.223 -0.001 0.000 2.295 1478 L HA 0.395 4.748 4.340 0.022 0.000 0.288 1478 L C 0.124 176.981 176.870 -0.021 0.000 1.079 1478 L CA 0.567 55.391 54.840 -0.026 0.000 0.830 1478 L CB -0.306 41.619 42.059 -0.223 0.000 1.200 1478 L HN 0.601 nan 8.230 nan 0.000 0.438 1479 K N 3.621 124.054 120.400 0.055 0.000 2.306 1479 K HA 0.693 5.027 4.320 0.022 0.000 0.236 1479 K C -0.717 175.940 176.600 0.094 0.000 1.013 1479 K CA -0.780 55.539 56.287 0.054 0.000 0.857 1479 K CB 1.925 34.463 32.500 0.063 0.000 1.214 1479 K HN 0.453 nan 8.250 nan 0.000 0.449 1480 A N 1.288 124.155 122.820 0.078 0.000 3.095 1480 A HA 0.212 4.546 4.320 0.022 0.000 0.301 1480 A C 0.758 178.393 177.584 0.085 0.000 1.432 1480 A CA -0.342 51.753 52.037 0.097 0.000 1.140 1480 A CB -0.619 18.416 19.000 0.059 0.000 1.174 1480 A HN 0.670 nan 8.150 nan 0.000 0.546 1481 S N 0.763 116.526 115.700 0.106 0.000 2.566 1481 S HA 0.375 4.858 4.470 0.022 0.000 0.234 1481 S C 1.212 175.873 174.600 0.101 0.000 1.075 1481 S CA 0.531 58.783 58.200 0.086 0.000 0.926 1481 S CB -0.494 62.751 63.200 0.074 0.000 0.811 1481 S HN 1.266 nan 8.310 nan 0.000 0.518 1482 A N 2.435 125.338 122.820 0.138 0.000 2.553 1482 A HA 0.129 4.462 4.320 0.022 0.000 0.258 1482 A C 1.031 178.737 177.584 0.204 0.000 1.069 1482 A CA 0.201 52.328 52.037 0.150 0.000 0.767 1482 A CB -0.247 18.849 19.000 0.160 0.000 0.997 1482 A HN 0.622 nan 8.150 nan 0.000 0.512 1483 E N 1.817 122.103 120.200 0.144 0.000 2.385 1483 E HA -0.008 4.355 4.350 0.022 0.000 0.194 1483 E C -0.038 176.676 176.600 0.190 0.000 1.013 1483 E CA 1.153 57.646 56.400 0.155 0.000 0.866 1483 E CB 0.242 29.995 29.700 0.087 0.000 0.832 1483 E HN 0.764 nan 8.360 nan 0.000 0.500 1484 T N -0.414 114.208 114.554 0.114 0.000 2.900 1484 T HA 0.317 4.680 4.350 0.022 0.000 0.295 1484 T C -0.657 173.958 174.700 -0.140 0.000 1.044 1484 T CA -0.795 61.314 62.100 0.014 0.000 0.995 1484 T CB 2.083 70.948 68.868 -0.005 0.000 1.072 1484 T HN -0.060 nan 8.240 nan 0.000 0.473 1485 V N 3.048 122.744 119.914 -0.363 0.000 2.439 1485 V HA 0.495 4.628 4.120 0.022 0.000 0.271 1485 V C -0.795 175.145 176.094 -0.258 0.000 1.040 1485 V CA 0.173 62.180 62.300 -0.488 0.000 1.002 1485 V CB -0.416 31.002 31.823 -0.676 0.000 1.000 1485 V HN 1.113 nan 8.190 nan 0.000 0.477 1486 D N 4.894 125.162 120.400 -0.220 0.000 2.559 1486 D HA 0.589 5.242 4.640 0.022 0.000 0.250 1486 D C -2.394 173.780 176.300 -0.210 0.000 1.135 1486 D CA -1.758 52.139 54.000 -0.171 0.000 0.955 1486 D CB 1.629 42.354 40.800 -0.125 0.000 1.442 1486 D HN 0.185 nan 8.370 nan 0.000 0.471 1487 P HA -0.205 nan 4.420 nan 0.000 0.218 1487 P C 0.991 178.090 177.300 -0.335 0.000 1.150 1487 P CA 2.509 65.475 63.100 -0.223 0.000 0.841 1487 P CB 0.001 31.600 31.700 -0.168 0.000 0.784 1488 A N -0.887 121.746 122.820 -0.312 0.000 2.123 1488 A HA -0.010 4.323 4.320 0.022 0.000 0.214 1488 A C 1.947 179.230 177.584 -0.502 0.000 1.152 1488 A CA 1.278 53.081 52.037 -0.390 0.000 0.728 1488 A CB -0.878 17.988 19.000 -0.225 0.000 0.814 1488 A HN 0.310 nan 8.150 nan 0.000 0.464 1489 S N -0.879 114.592 115.700 -0.381 0.000 2.597 1489 S HA 0.460 4.943 4.470 0.022 0.000 0.224 1489 S C 0.192 174.510 174.600 -0.469 0.000 0.955 1489 S CA -0.396 57.618 58.200 -0.310 0.000 0.933 1489 S CB -0.373 62.764 63.200 -0.105 0.000 0.788 1489 S HN 0.305 nan 8.310 nan 0.000 0.488 1490 L N 1.645 122.471 121.223 -0.662 0.000 2.322 1490 L HA 0.619 4.972 4.340 0.022 0.000 0.279 1490 L C -1.177 175.221 176.870 -0.787 0.000 1.036 1490 L CA -0.842 53.682 54.840 -0.527 0.000 0.807 1490 L CB 1.280 43.163 42.059 -0.294 0.000 1.226 1490 L HN 0.403 nan 8.230 nan 0.000 0.433 1491 W N 1.126 122.429 121.300 0.006 0.000 2.998 1491 W HA 0.406 5.081 4.660 0.026 0.000 0.335 1491 W C -0.414 176.138 176.519 0.054 0.000 1.110 1491 W CA -0.512 56.873 57.345 0.067 0.000 1.230 1491 W CB 1.341 30.906 29.460 0.175 0.000 1.405 1491 W HN 0.324 nan 8.180 nan 0.000 0.493 1492 E N 2.139 122.473 120.200 0.222 0.000 2.257 1492 E HA 0.172 4.535 4.350 0.022 0.000 0.278 1492 E C -0.660 175.874 176.600 -0.110 0.000 1.049 1492 E CA -0.382 55.980 56.400 -0.064 0.000 0.876 1492 E CB 0.562 30.174 29.700 -0.146 0.000 1.035 1492 E HN 0.387 nan 8.360 nan 0.000 0.419 1493 Y N 0.000 120.140 120.300 -0.266 0.000 2.660 1493 Y HA 0.000 4.563 4.550 0.022 0.000 0.201 1493 Y CA 0.000 57.901 58.100 -0.332 0.000 1.940 1493 Y CB 0.000 38.300 38.460 -0.268 0.000 1.050 1493 Y HN 0.000 nan 8.280 nan 0.000 0.758