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 1qhm_1_A DATA FIRST_RESID 1004 DATA SEQUENCE NEKLATAWEG FTKGDWQNEV NVRDFIQKNY TPYEGDESFL AGATEATTTL DATA SEQUENCE WDKVMEGVKL ENRTHAPVDF DTAVASTITS HDAGYINKQL EKIVGLQTEA DATA SEQUENCE PLKRALIPFG GIKMIEGSCK AYNRELDPMI KKIFTEYRKT HNQGVFDVYT DATA SEQUENCE PDILRCRKSG VLTGLPDAYG RGRIIGDYRR VALYGIDYLM KDKLAQFTSL DATA SEQUENCE QADLENGVNL EQTIRLREEI AEQHRALGQM KEMAAKYGYD ISGPATNAQE DATA SEQUENCE AIQWTYFGYL AAVKSQNGAA MSFGRTSTFL DVYIERDLKA GKITEQEAQE DATA SEQUENCE MVDHLVMKLR MVRFLRTPEY DELFSGDPIW ATESIGGMGL DGRTLVTKNS DATA SEQUENCE FRFLNTLYTM GPSPEPNMTI LWSEKLPLNF KKFAAKVSID TSSLQYENDD DATA SEQUENCE LMRPDFNNDD YAIACCVSPM IVGKQMQFFG ARANLAKTML YAINGGVDEK DATA SEQUENCE LKMQVGPKSE PIKGDVLNYD EVMERMDHFM DWLAKQYITA LNIIHYMHDK DATA SEQUENCE YSYEASLMAL HDRDVIRTMA CGIAGLSVAA DSLSAIKYAK VKPIRDEDGL DATA SEQUENCE AIDFEIEGEY PQFGNNDPRV DDLAVDLVER FMKKIQKLHT YRDAIPTQSV DATA SEQUENCE LTITSNVVYG KK 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 1004 N HA 0.000 nan 4.740 nan 0.000 0.220 1004 N C 0.000 175.478 175.510 -0.053 0.000 1.280 1004 N CA 0.000 53.037 53.050 -0.022 0.000 0.885 1004 N CB 0.000 38.480 38.487 -0.012 0.000 1.341 1005 E N 0.847 121.021 120.200 -0.042 0.000 2.033 1005 E HA -0.104 4.246 4.350 -0.000 0.000 0.189 1005 E C 1.612 178.160 176.600 -0.086 0.000 0.979 1005 E CA 2.051 58.421 56.400 -0.049 0.000 0.802 1005 E CB -0.322 29.363 29.700 -0.024 0.000 0.763 1005 E HN 0.629 nan 8.360 nan 0.000 0.449 1006 K N 1.427 121.781 120.400 -0.078 0.000 1.986 1006 K HA -0.235 4.084 4.320 -0.000 0.000 0.230 1006 K C 2.381 178.827 176.600 -0.257 0.000 1.048 1006 K CA 2.192 58.415 56.287 -0.106 0.000 1.008 1006 K CB -1.619 30.846 32.500 -0.059 0.000 0.737 1006 K HN 0.113 nan 8.250 nan 0.000 0.447 1007 L N 0.664 121.648 121.223 -0.399 0.000 1.997 1007 L HA -0.184 4.155 4.340 -0.000 0.000 0.216 1007 L C 3.062 179.538 176.870 -0.656 0.000 1.074 1007 L CA 2.577 56.894 54.840 -0.871 0.000 0.763 1007 L CB -1.227 40.387 42.059 -0.741 0.000 0.890 1007 L HN 0.641 nan 8.230 nan 0.000 0.434 1008 A N -1.347 121.282 122.820 -0.317 0.000 1.873 1008 A HA -0.410 3.910 4.320 -0.000 0.000 0.219 1008 A C 2.488 180.016 177.584 -0.093 0.000 1.269 1008 A CA 3.503 55.453 52.037 -0.145 0.000 0.671 1008 A CB -1.508 17.443 19.000 -0.081 0.000 0.842 1008 A HN 0.496 nan 8.150 nan 0.000 0.460 1009 T N -1.159 113.339 114.554 -0.093 0.000 2.674 1009 T HA -0.005 4.345 4.350 -0.000 0.000 0.265 1009 T C 1.997 176.672 174.700 -0.041 0.000 1.039 1009 T CA 2.561 64.629 62.100 -0.052 0.000 1.150 1009 T CB -0.691 68.152 68.868 -0.041 0.000 0.864 1009 T HN 0.839 nan 8.240 nan 0.000 0.427 1010 A N 0.554 123.325 122.820 -0.081 0.000 1.927 1010 A HA -0.128 4.192 4.320 -0.000 0.000 0.220 1010 A C 2.143 179.935 177.584 0.345 0.000 1.185 1010 A CA 1.698 53.755 52.037 0.033 0.000 0.639 1010 A CB -1.410 17.496 19.000 -0.156 0.000 0.820 1010 A HN 0.875 nan 8.150 nan 0.000 0.451 1011 W N 0.032 121.338 121.300 0.011 0.000 3.377 1011 W HA 0.239 4.899 4.660 -0.000 0.000 0.277 1011 W C 0.489 176.877 176.519 -0.219 0.000 1.311 1011 W CA -0.467 56.903 57.345 0.041 0.000 1.703 1011 W CB 0.009 29.673 29.460 0.339 0.000 1.095 1011 W HN 0.375 nan 8.180 nan 0.000 0.715 1012 E N 0.736 120.914 120.200 -0.037 0.000 2.757 1012 E HA 0.066 4.416 4.350 -0.000 0.000 0.238 1012 E C 1.187 177.669 176.600 -0.196 0.000 1.057 1012 E CA 1.830 58.175 56.400 -0.092 0.000 0.952 1012 E CB -0.252 29.390 29.700 -0.096 0.000 0.934 1012 E HN 0.353 nan 8.360 nan 0.000 0.518 1013 G N 4.176 112.954 108.800 -0.037 0.000 2.317 1013 G HA2 -0.294 3.665 3.960 -0.000 0.000 0.227 1013 G HA3 -0.294 3.665 3.960 -0.000 0.000 0.227 1013 G C -0.007 174.993 174.900 0.168 0.000 1.042 1013 G CA -0.115 44.989 45.100 0.008 0.000 0.623 1013 G HN 0.462 nan 8.290 nan 0.000 0.509 1014 F N 3.253 123.274 119.950 0.118 0.000 2.629 1014 F HA 0.351 4.878 4.527 -0.000 0.000 0.377 1014 F C 1.536 177.457 175.800 0.202 0.000 1.101 1014 F CA 0.221 58.291 58.000 0.116 0.000 1.301 1014 F CB -0.049 39.096 39.000 0.242 0.000 1.062 1014 F HN 0.020 nan 8.300 nan 0.000 0.583 1015 T N 3.391 118.128 114.554 0.306 0.000 2.870 1015 T HA 0.420 4.770 4.350 -0.000 0.000 0.300 1015 T C 0.715 175.665 174.700 0.416 0.000 0.989 1015 T CA -0.505 61.740 62.100 0.243 0.000 1.139 1015 T CB 0.424 69.343 68.868 0.085 0.000 0.920 1015 T HN 0.758 nan 8.240 nan 0.000 0.537 1016 K N 1.294 121.840 120.400 0.244 0.000 2.339 1016 K HA 0.568 4.888 4.320 -0.000 0.000 0.260 1016 K C 0.771 177.455 176.600 0.140 0.000 0.989 1016 K CA 0.002 56.354 56.287 0.109 0.000 0.888 1016 K CB -0.407 32.118 32.500 0.042 0.000 0.983 1016 K HN 1.290 nan 8.250 nan 0.000 0.515 1017 G N -0.940 107.805 108.800 -0.091 0.000 2.315 1017 G HA2 0.330 4.290 3.960 -0.000 0.000 0.294 1017 G HA3 0.330 4.290 3.960 -0.000 0.000 0.294 1017 G C -0.318 174.520 174.900 -0.103 0.000 1.300 1017 G CA 0.219 45.337 45.100 0.029 0.000 0.843 1017 G HN 0.455 nan 8.290 nan 0.000 0.527 1018 D N -0.044 120.398 120.400 0.069 0.000 2.218 1018 D HA -0.045 4.595 4.640 -0.000 0.000 0.204 1018 D C 2.212 178.579 176.300 0.111 0.000 0.976 1018 D CA 1.636 55.680 54.000 0.072 0.000 0.853 1018 D CB -0.077 40.794 40.800 0.118 0.000 0.939 1018 D HN 0.564 nan 8.370 nan 0.000 0.481 1019 W N 1.028 122.415 121.300 0.145 0.000 2.560 1019 W HA -0.107 4.553 4.660 -0.000 0.000 0.252 1019 W C 0.614 177.297 176.519 0.274 0.000 1.242 1019 W CA 0.365 57.836 57.345 0.209 0.000 1.242 1019 W CB -0.735 28.831 29.460 0.177 0.000 1.136 1019 W HN 0.108 nan 8.180 nan 0.000 0.625 1020 Q N 0.441 119.976 119.800 -0.443 0.000 2.356 1020 Q HA 0.043 4.383 4.340 -0.000 0.000 0.205 1020 Q C 1.099 177.125 176.000 0.043 0.000 0.901 1020 Q CA 0.407 56.010 55.803 -0.334 0.000 0.938 1020 Q CB 0.064 28.434 28.738 -0.613 0.000 1.081 1020 Q HN 0.391 nan 8.270 nan 0.000 0.517 1021 N N 1.057 119.811 118.700 0.089 0.000 2.171 1021 N HA 0.054 4.794 4.740 -0.000 0.000 0.212 1021 N C -0.335 175.295 175.510 0.201 0.000 1.184 1021 N CA 0.316 53.453 53.050 0.146 0.000 0.888 1021 N CB 1.044 39.576 38.487 0.075 0.000 1.038 1021 N HN 0.366 nan 8.380 nan 0.000 0.517 1022 E N -1.346 119.001 120.200 0.244 0.000 2.422 1022 E HA 0.214 4.564 4.350 -0.000 0.000 0.280 1022 E C -1.419 175.274 176.600 0.156 0.000 1.091 1022 E CA -0.807 55.707 56.400 0.189 0.000 0.849 1022 E CB 1.109 30.882 29.700 0.122 0.000 1.353 1022 E HN -0.298 nan 8.360 nan 0.000 0.449 1023 V N 1.697 121.609 119.914 -0.005 0.000 2.370 1023 V HA 0.210 4.330 4.120 -0.000 0.000 0.257 1023 V C -0.105 176.072 176.094 0.138 0.000 1.064 1023 V CA 0.224 62.442 62.300 -0.135 0.000 0.975 1023 V CB -0.501 31.216 31.823 -0.175 0.000 1.067 1023 V HN 0.734 nan 8.190 nan 0.000 0.485 1024 N N 3.795 122.703 118.700 0.347 0.000 2.673 1024 N HA 0.182 4.922 4.740 -0.000 0.000 0.265 1024 N C 0.900 176.585 175.510 0.292 0.000 1.709 1024 N CA -0.257 52.955 53.050 0.269 0.000 0.792 1024 N CB 1.116 39.762 38.487 0.265 0.000 1.286 1024 N HN 0.313 nan 8.380 nan 0.000 0.506 1025 V N 0.883 120.930 119.914 0.222 0.000 2.277 1025 V HA -0.336 3.784 4.120 -0.000 0.000 0.253 1025 V C 2.776 178.922 176.094 0.087 0.000 1.067 1025 V CA 1.737 64.096 62.300 0.098 0.000 1.047 1025 V CB -0.610 31.165 31.823 -0.080 0.000 0.649 1025 V HN 0.617 nan 8.190 nan 0.000 0.447 1026 R N 0.292 120.817 120.500 0.043 0.000 2.094 1026 R HA -0.263 4.077 4.340 -0.000 0.000 0.239 1026 R C 2.151 178.466 176.300 0.025 0.000 1.137 1026 R CA 2.667 58.771 56.100 0.006 0.000 0.943 1026 R CB -0.985 29.316 30.300 0.001 0.000 0.850 1026 R HN 0.662 nan 8.270 nan 0.000 0.433 1027 D N -0.604 119.854 120.400 0.097 0.000 2.149 1027 D HA -0.191 4.449 4.640 -0.000 0.000 0.198 1027 D C 1.863 178.176 176.300 0.021 0.000 0.990 1027 D CA 1.205 55.276 54.000 0.119 0.000 0.839 1027 D CB -0.246 40.700 40.800 0.243 0.000 0.948 1027 D HN 0.242 nan 8.370 nan 0.000 0.460 1028 F N 1.102 120.912 119.950 -0.233 0.000 1.997 1028 F HA -0.168 4.359 4.527 -0.000 0.000 0.296 1028 F C 2.112 177.561 175.800 -0.585 0.000 1.160 1028 F CA 1.742 59.225 58.000 -0.862 0.000 1.176 1028 F CB -0.747 37.688 39.000 -0.941 0.000 0.964 1028 F HN -0.029 nan 8.300 nan 0.000 0.484 1029 I N 0.161 120.517 120.570 -0.356 0.000 2.121 1029 I HA -0.416 3.754 4.170 -0.000 0.000 0.243 1029 I C 2.505 178.456 176.117 -0.276 0.000 1.047 1029 I CA 2.027 63.111 61.300 -0.359 0.000 1.308 1029 I CB -0.803 37.109 38.000 -0.146 0.000 1.015 1029 I HN 0.337 nan 8.210 nan 0.000 0.410 1030 Q N 0.930 120.629 119.800 -0.169 0.000 2.084 1030 Q HA -0.181 4.158 4.340 -0.000 0.000 0.202 1030 Q C 2.102 178.067 176.000 -0.058 0.000 0.978 1030 Q CA 1.601 57.393 55.803 -0.019 0.000 0.844 1030 Q CB -0.042 28.684 28.738 -0.020 0.000 0.898 1030 Q HN 0.212 nan 8.270 nan 0.000 0.426 1031 K N 0.684 120.961 120.400 -0.205 0.000 2.211 1031 K HA -0.022 4.298 4.320 -0.000 0.000 0.203 1031 K C -0.078 176.325 176.600 -0.327 0.000 1.050 1031 K CA 1.194 57.357 56.287 -0.207 0.000 0.945 1031 K CB -0.141 32.288 32.500 -0.117 0.000 0.732 1031 K HN 0.646 nan 8.250 nan 0.000 0.451 1032 N N -0.791 117.577 118.700 -0.553 0.000 2.946 1032 N HA 0.074 4.813 4.740 -0.000 0.000 0.213 1032 N C -1.133 174.034 175.510 -0.571 0.000 1.440 1032 N CA -0.646 52.067 53.050 -0.562 0.000 0.745 1032 N CB 0.149 38.274 38.487 -0.603 0.000 1.471 1032 N HN -0.046 nan 8.380 nan 0.000 0.569 1033 Y N -1.397 118.623 120.300 -0.467 0.000 2.581 1033 Y HA 0.678 5.228 4.550 -0.000 0.000 0.345 1033 Y C -1.275 174.472 175.900 -0.255 0.000 1.036 1033 Y CA -0.941 56.929 58.100 -0.384 0.000 1.042 1033 Y CB 1.838 40.092 38.460 -0.343 0.000 1.289 1033 Y HN -0.007 nan 8.280 nan 0.000 0.471 1034 T N 5.632 120.013 114.554 -0.288 0.000 2.874 1034 T HA 0.337 4.686 4.350 -0.000 0.000 0.321 1034 T C -2.802 171.783 174.700 -0.190 0.000 1.075 1034 T CA -1.410 60.479 62.100 -0.351 0.000 0.966 1034 T CB 0.537 69.281 68.868 -0.207 0.000 1.001 1034 T HN 0.433 nan 8.240 nan 0.000 0.476 1035 P HA 0.014 nan 4.420 nan 0.000 0.265 1035 P C -1.133 176.209 177.300 0.070 0.000 1.187 1035 P CA -0.230 62.875 63.100 0.008 0.000 0.766 1035 P CB 0.479 32.135 31.700 -0.073 0.000 0.820 1036 Y N 1.627 121.910 120.300 -0.027 0.000 2.350 1036 Y HA 0.264 4.814 4.550 -0.000 0.000 0.338 1036 Y C 0.796 176.721 175.900 0.042 0.000 0.961 1036 Y CA -0.538 57.551 58.100 -0.018 0.000 1.100 1036 Y CB 1.851 40.311 38.460 -0.000 0.000 1.179 1036 Y HN 0.378 nan 8.280 nan 0.000 0.454 1037 E N 2.876 122.805 120.200 -0.451 0.000 2.489 1037 E HA 0.214 4.564 4.350 -0.000 0.000 0.204 1037 E C 1.032 177.260 176.600 -0.621 0.000 1.006 1037 E CA -0.015 56.156 56.400 -0.382 0.000 0.936 1037 E CB 0.622 30.211 29.700 -0.184 0.000 1.002 1037 E HN 0.857 nan 8.360 nan 0.000 0.488 1038 G N 1.814 109.769 108.800 -1.408 0.000 2.590 1038 G HA2 0.031 3.990 3.960 -0.000 0.000 0.276 1038 G HA3 0.031 3.990 3.960 -0.000 0.000 0.276 1038 G C -0.016 174.525 174.900 -0.599 0.000 1.337 1038 G CA -0.101 44.430 45.100 -0.949 0.000 1.030 1038 G HN 0.159 nan 8.290 nan 0.000 0.534 1039 D N -2.337 117.936 120.400 -0.212 0.000 2.467 1039 D HA 0.135 4.774 4.640 -0.000 0.000 0.245 1039 D C 0.976 177.017 176.300 -0.433 0.000 1.038 1039 D CA -0.520 53.353 54.000 -0.213 0.000 1.038 1039 D CB 0.992 41.765 40.800 -0.045 0.000 1.278 1039 D HN 0.428 nan 8.370 nan 0.000 0.564 1040 E N 0.103 119.937 120.200 -0.611 0.000 2.510 1040 E HA -0.166 4.184 4.350 -0.000 0.000 0.202 1040 E C 1.258 177.536 176.600 -0.537 0.000 1.072 1040 E CA 0.586 56.493 56.400 -0.821 0.000 0.883 1040 E CB -0.504 28.629 29.700 -0.946 0.000 0.818 1040 E HN 0.427 nan 8.360 nan 0.000 0.548 1041 S N 1.628 117.164 115.700 -0.273 0.000 2.370 1041 S HA -0.223 4.246 4.470 -0.000 0.000 0.226 1041 S C 1.971 176.464 174.600 -0.178 0.000 1.033 1041 S CA 1.113 59.221 58.200 -0.152 0.000 1.011 1041 S CB -1.245 61.931 63.200 -0.040 0.000 0.852 1041 S HN 0.486 nan 8.310 nan 0.000 0.457 1042 F N 2.386 122.256 119.950 -0.134 0.000 2.333 1042 F HA 0.279 4.806 4.527 -0.000 0.000 0.300 1042 F C 0.805 176.540 175.800 -0.108 0.000 1.083 1042 F CA -0.501 57.426 58.000 -0.122 0.000 1.395 1042 F CB -0.792 38.108 39.000 -0.166 0.000 1.056 1042 F HN 0.079 nan 8.300 nan 0.000 0.529 1043 L N 1.665 122.229 121.223 -1.099 0.000 2.517 1043 L HA 0.185 4.525 4.340 -0.000 0.000 0.294 1043 L C 0.465 177.187 176.870 -0.248 0.000 1.264 1043 L CA 0.415 54.816 54.840 -0.731 0.000 0.839 1043 L CB -0.488 41.257 42.059 -0.524 0.000 1.098 1043 L HN 0.426 nan 8.230 nan 0.000 0.525 1044 A N 1.954 124.702 122.820 -0.121 0.000 2.386 1044 A HA 0.728 5.047 4.320 -0.000 0.000 0.311 1044 A C 0.173 177.747 177.584 -0.016 0.000 1.068 1044 A CA -0.001 52.013 52.037 -0.039 0.000 0.743 1044 A CB 1.391 20.393 19.000 0.003 0.000 1.258 1044 A HN 0.809 nan 8.150 nan 0.000 0.429 1045 G N 0.032 108.828 108.800 -0.007 0.000 2.588 1045 G HA2 0.598 4.558 3.960 -0.000 0.000 0.278 1045 G HA3 0.598 4.558 3.960 -0.000 0.000 0.278 1045 G C 0.672 175.580 174.900 0.014 0.000 1.307 1045 G CA 0.138 45.242 45.100 0.006 0.000 1.016 1045 G HN 1.572 nan 8.290 nan 0.000 0.503 1046 A N -1.213 121.617 122.820 0.016 0.000 2.339 1046 A HA 0.546 4.866 4.320 -0.000 0.000 0.272 1046 A C 0.671 178.270 177.584 0.026 0.000 1.182 1046 A CA 0.609 52.655 52.037 0.014 0.000 0.819 1046 A CB -0.042 18.965 19.000 0.011 0.000 1.115 1046 A HN 0.731 nan 8.150 nan 0.000 0.512 1047 T N -1.258 113.318 114.554 0.037 0.000 2.907 1047 T HA 0.337 4.687 4.350 -0.000 0.000 0.292 1047 T C 1.058 175.790 174.700 0.052 0.000 1.043 1047 T CA -0.168 61.963 62.100 0.051 0.000 1.003 1047 T CB 1.664 70.582 68.868 0.083 0.000 1.084 1047 T HN 0.761 nan 8.240 nan 0.000 0.483 1048 E N 1.418 121.648 120.200 0.049 0.000 2.153 1048 E HA -0.136 4.214 4.350 -0.000 0.000 0.194 1048 E C 1.994 178.629 176.600 0.057 0.000 0.988 1048 E CA 1.327 57.755 56.400 0.047 0.000 0.811 1048 E CB -0.030 29.694 29.700 0.038 0.000 0.746 1048 E HN 0.673 nan 8.360 nan 0.000 0.466 1049 A N 0.228 123.095 122.820 0.077 0.000 1.841 1049 A HA -0.161 4.159 4.320 -0.000 0.000 0.214 1049 A C 2.401 180.030 177.584 0.075 0.000 1.195 1049 A CA 1.985 54.084 52.037 0.103 0.000 0.611 1049 A CB -1.072 18.025 19.000 0.161 0.000 0.835 1049 A HN 0.317 nan 8.150 nan 0.000 0.443 1050 T N 0.138 114.729 114.554 0.063 0.000 2.665 1050 T HA -0.169 4.181 4.350 -0.000 0.000 0.268 1050 T C 1.974 176.671 174.700 -0.006 0.000 1.035 1050 T CA 2.164 64.210 62.100 -0.091 0.000 1.151 1050 T CB -0.672 68.168 68.868 -0.046 0.000 0.862 1050 T HN 0.577 nan 8.240 nan 0.000 0.438 1051 T N 2.015 116.598 114.554 0.049 0.000 2.737 1051 T HA -0.110 4.240 4.350 -0.000 0.000 0.265 1051 T C 2.521 177.281 174.700 0.101 0.000 1.038 1051 T CA 1.773 63.933 62.100 0.101 0.000 1.144 1051 T CB -0.751 68.164 68.868 0.077 0.000 0.866 1051 T HN 0.700 nan 8.240 nan 0.000 0.434 1052 T N 1.851 116.443 114.554 0.064 0.000 2.746 1052 T HA -0.001 4.349 4.350 -0.000 0.000 0.267 1052 T C 2.045 176.772 174.700 0.046 0.000 1.039 1052 T CA 0.841 62.969 62.100 0.046 0.000 1.142 1052 T CB -0.811 68.082 68.868 0.040 0.000 0.866 1052 T HN 0.222 nan 8.240 nan 0.000 0.444 1053 L N -0.621 120.635 121.223 0.054 0.000 1.970 1053 L HA -0.035 4.305 4.340 -0.000 0.000 0.212 1053 L C 2.748 179.678 176.870 0.100 0.000 1.071 1053 L CA 1.930 56.801 54.840 0.052 0.000 0.751 1053 L CB -0.678 41.377 42.059 -0.007 0.000 0.889 1053 L HN 0.452 nan 8.230 nan 0.000 0.432 1054 W N 1.498 122.740 121.300 -0.098 0.000 2.321 1054 W HA -0.279 4.380 4.660 -0.000 0.000 0.306 1054 W C 2.084 178.571 176.519 -0.053 0.000 1.217 1054 W CA 1.621 58.915 57.345 -0.085 0.000 1.257 1054 W CB -0.057 29.351 29.460 -0.087 0.000 1.145 1054 W HN 0.305 nan 8.180 nan 0.000 0.509 1055 D N 0.457 120.795 120.400 -0.103 0.000 2.117 1055 D HA -0.209 4.431 4.640 -0.000 0.000 0.197 1055 D C 1.843 178.016 176.300 -0.211 0.000 0.987 1055 D CA 1.702 55.578 54.000 -0.207 0.000 0.829 1055 D CB -0.474 40.283 40.800 -0.071 0.000 0.961 1055 D HN 0.057 nan 8.370 nan 0.000 0.460 1056 K N 0.960 121.288 120.400 -0.120 0.000 2.032 1056 K HA -0.108 4.212 4.320 -0.000 0.000 0.209 1056 K C 1.923 178.436 176.600 -0.144 0.000 1.048 1056 K CA 0.953 57.184 56.287 -0.093 0.000 0.927 1056 K CB -0.569 31.912 32.500 -0.031 0.000 0.712 1056 K HN -0.014 nan 8.250 nan 0.000 0.441 1057 V N 0.748 120.545 119.914 -0.194 0.000 2.307 1057 V HA -0.245 3.875 4.120 -0.000 0.000 0.245 1057 V C 2.417 178.275 176.094 -0.395 0.000 1.045 1057 V CA 1.799 63.952 62.300 -0.245 0.000 1.024 1057 V CB -0.472 31.223 31.823 -0.213 0.000 0.651 1057 V HN 0.354 nan 8.190 nan 0.000 0.449 1058 M N -0.315 118.896 119.600 -0.648 0.000 2.192 1058 M HA -0.246 4.234 4.480 -0.000 0.000 0.259 1058 M C 2.114 178.220 176.300 -0.323 0.000 1.071 1058 M CA 1.733 56.666 55.300 -0.612 0.000 1.082 1058 M CB -1.131 31.057 32.600 -0.687 0.000 1.373 1058 M HN 0.517 nan 8.290 nan 0.000 0.408 1059 E N -0.405 119.649 120.200 -0.244 0.000 2.021 1059 E HA -0.191 4.159 4.350 -0.000 0.000 0.200 1059 E C 2.070 178.588 176.600 -0.136 0.000 1.015 1059 E CA 1.447 57.755 56.400 -0.154 0.000 0.824 1059 E CB -0.542 29.089 29.700 -0.114 0.000 0.762 1059 E HN 0.632 nan 8.360 nan 0.000 0.454 1060 G N 1.009 109.730 108.800 -0.132 0.000 2.469 1060 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.219 1060 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.219 1060 G C 1.759 176.593 174.900 -0.110 0.000 1.150 1060 G CA 1.040 46.078 45.100 -0.103 0.000 0.763 1060 G HN 0.129 nan 8.290 nan 0.000 0.561 1061 V N 0.826 120.651 119.914 -0.150 0.000 2.237 1061 V HA -0.208 3.912 4.120 -0.000 0.000 0.245 1061 V C 2.816 178.842 176.094 -0.112 0.000 1.046 1061 V CA 2.468 64.690 62.300 -0.130 0.000 1.007 1061 V CB -0.526 31.196 31.823 -0.169 0.000 0.638 1061 V HN 0.386 nan 8.190 nan 0.000 0.445 1062 K N -0.320 120.004 120.400 -0.126 0.000 2.113 1062 K HA -0.222 4.098 4.320 -0.000 0.000 0.208 1062 K C 2.148 178.690 176.600 -0.097 0.000 1.047 1062 K CA 1.632 57.856 56.287 -0.104 0.000 0.928 1062 K CB -0.392 32.047 32.500 -0.102 0.000 0.716 1062 K HN 0.362 nan 8.250 nan 0.000 0.446 1063 L N 1.269 122.438 121.223 -0.090 0.000 2.046 1063 L HA -0.242 4.098 4.340 -0.000 0.000 0.208 1063 L C 2.097 178.920 176.870 -0.079 0.000 1.077 1063 L CA 1.601 56.396 54.840 -0.074 0.000 0.747 1063 L CB -0.138 41.885 42.059 -0.060 0.000 0.896 1063 L HN 0.288 nan 8.230 nan 0.000 0.432 1064 E N -0.228 119.925 120.200 -0.080 0.000 2.031 1064 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 1064 E C 1.893 178.413 176.600 -0.133 0.000 0.994 1064 E CA 1.384 57.740 56.400 -0.073 0.000 0.800 1064 E CB -0.150 29.516 29.700 -0.056 0.000 0.752 1064 E HN 0.564 nan 8.360 nan 0.000 0.447 1065 N N 1.030 119.641 118.700 -0.149 0.000 2.036 1065 N HA -0.243 4.496 4.740 -0.000 0.000 0.195 1065 N C 1.904 177.139 175.510 -0.457 0.000 1.037 1065 N CA 1.237 54.144 53.050 -0.238 0.000 0.855 1065 N CB -0.453 37.956 38.487 -0.131 0.000 1.033 1065 N HN 0.141 nan 8.380 nan 0.000 0.423 1066 R N 0.641 120.982 120.500 -0.265 0.000 2.105 1066 R HA -0.060 4.280 4.340 -0.000 0.000 0.239 1066 R C 1.474 177.638 176.300 -0.226 0.000 1.135 1066 R CA 1.673 57.642 56.100 -0.220 0.000 0.967 1066 R CB -0.085 30.151 30.300 -0.107 0.000 0.861 1066 R HN 0.184 nan 8.270 nan 0.000 0.442 1067 T N -0.386 114.059 114.554 -0.181 0.000 3.044 1067 T HA 0.034 4.384 4.350 -0.000 0.000 0.255 1067 T C -0.216 174.509 174.700 0.042 0.000 1.073 1067 T CA 0.307 62.379 62.100 -0.047 0.000 1.125 1067 T CB 0.018 68.890 68.868 0.007 0.000 0.908 1067 T HN 0.401 nan 8.240 nan 0.000 0.480 1068 H N 0.692 119.799 119.070 0.063 0.000 2.756 1068 H HA -0.073 4.482 4.556 -0.000 0.000 0.315 1068 H C 0.071 175.499 175.328 0.167 0.000 1.210 1068 H CA 0.699 56.799 56.048 0.086 0.000 1.150 1068 H CB -1.925 27.877 29.762 0.066 0.000 1.463 1068 H HN 0.616 nan 8.280 nan 0.000 0.427 1069 A N -0.649 122.296 122.820 0.209 0.000 2.601 1069 A HA 0.632 4.952 4.320 -0.000 0.000 0.291 1069 A C -2.768 174.815 177.584 -0.001 0.000 1.075 1069 A CA -1.335 50.836 52.037 0.223 0.000 0.671 1069 A CB 1.483 20.701 19.000 0.363 0.000 1.277 1069 A HN -0.034 nan 8.150 nan 0.000 0.417 1070 P HA 0.281 nan 4.420 nan 0.000 0.271 1070 P C 1.086 178.387 177.300 0.001 0.000 1.218 1070 P CA -0.273 62.758 63.100 -0.115 0.000 0.780 1070 P CB 0.696 32.281 31.700 -0.193 0.000 0.901 1071 V N 0.687 120.597 119.914 -0.006 0.000 2.252 1071 V HA -0.179 3.940 4.120 -0.000 0.000 0.249 1071 V C 0.894 177.000 176.094 0.019 0.000 1.056 1071 V CA 2.399 64.698 62.300 -0.001 0.000 1.022 1071 V CB -0.770 31.044 31.823 -0.016 0.000 0.641 1071 V HN 0.753 nan 8.190 nan 0.000 0.445 1072 D N -2.481 117.948 120.400 0.047 0.000 2.683 1072 D HA 0.439 5.079 4.640 -0.000 0.000 0.246 1072 D C -1.323 175.063 176.300 0.144 0.000 1.238 1072 D CA -0.567 53.450 54.000 0.028 0.000 0.759 1072 D CB 1.616 42.402 40.800 -0.023 0.000 1.349 1072 D HN 0.097 nan 8.370 nan 0.000 0.426 1073 F N -0.499 119.424 119.950 -0.044 0.000 2.665 1073 F HA 0.527 5.054 4.527 -0.000 0.000 0.308 1073 F C -0.666 175.134 175.800 -0.001 0.000 1.112 1073 F CA -1.018 56.961 58.000 -0.036 0.000 0.972 1073 F CB 0.960 39.913 39.000 -0.078 0.000 1.295 1073 F HN 0.010 nan 8.300 nan 0.000 0.440 1074 D N 1.254 121.778 120.400 0.207 0.000 2.378 1074 D HA 0.249 4.889 4.640 -0.000 0.000 0.238 1074 D C 0.840 177.223 176.300 0.137 0.000 1.180 1074 D CA 1.084 55.159 54.000 0.125 0.000 0.895 1074 D CB 1.434 42.341 40.800 0.178 0.000 1.192 1074 D HN 0.880 nan 8.370 nan 0.000 0.438 1075 T N -3.108 111.477 114.554 0.051 0.000 3.130 1075 T HA 0.431 4.781 4.350 -0.000 0.000 0.288 1075 T C 0.730 175.459 174.700 0.049 0.000 0.936 1075 T CA 0.025 62.160 62.100 0.059 0.000 0.897 1075 T CB 0.492 69.346 68.868 -0.024 0.000 1.178 1075 T HN 0.367 nan 8.240 nan 0.000 0.543 1076 A N 0.609 123.454 122.820 0.041 0.000 2.263 1076 A HA 0.690 5.010 4.320 -0.000 0.000 0.200 1076 A C 0.309 177.920 177.584 0.045 0.000 1.428 1076 A CA 0.063 52.122 52.037 0.038 0.000 1.050 1076 A CB 0.676 19.687 19.000 0.018 0.000 1.226 1076 A HN 0.296 nan 8.150 nan 0.000 0.501 1077 V N 1.835 121.777 119.914 0.047 0.000 2.432 1077 V HA 0.579 4.699 4.120 -0.000 0.000 0.275 1077 V C 0.462 176.608 176.094 0.086 0.000 1.043 1077 V CA -0.173 62.153 62.300 0.044 0.000 0.925 1077 V CB 1.024 32.829 31.823 -0.031 0.000 0.985 1077 V HN 0.477 nan 8.190 nan 0.000 0.466 1078 A N 4.194 127.069 122.820 0.091 0.000 2.310 1078 A HA 0.529 4.849 4.320 -0.000 0.000 0.300 1078 A C 0.485 178.154 177.584 0.142 0.000 1.269 1078 A CA -0.061 52.016 52.037 0.066 0.000 0.909 1078 A CB 0.458 19.542 19.000 0.139 0.000 1.144 1078 A HN 0.777 nan 8.150 nan 0.000 0.540 1079 S N 2.164 117.962 115.700 0.164 0.000 2.562 1079 S HA 0.553 5.022 4.470 -0.000 0.000 0.281 1079 S C 0.654 175.407 174.600 0.256 0.000 1.333 1079 S CA 0.574 58.923 58.200 0.249 0.000 1.052 1079 S CB 0.120 63.425 63.200 0.175 0.000 0.884 1079 S HN 1.418 nan 8.310 nan 0.000 0.506 1080 T N 1.486 116.191 114.554 0.252 0.000 2.647 1080 T HA 0.447 4.797 4.350 -0.000 0.000 0.295 1080 T C 1.205 176.001 174.700 0.159 0.000 1.126 1080 T CA -0.801 61.438 62.100 0.231 0.000 1.040 1080 T CB 0.060 69.067 68.868 0.231 0.000 1.472 1080 T HN 0.395 nan 8.240 nan 0.000 0.500 1081 I N 1.142 121.778 120.570 0.109 0.000 2.394 1081 I HA -0.058 4.111 4.170 -0.000 0.000 0.251 1081 I C 2.321 178.481 176.117 0.073 0.000 1.136 1081 I CA 1.847 63.184 61.300 0.062 0.000 1.425 1081 I CB -0.300 37.714 38.000 0.024 0.000 1.079 1081 I HN 0.941 nan 8.210 nan 0.000 0.425 1082 T N -3.721 110.887 114.554 0.090 0.000 3.084 1082 T HA 0.112 4.462 4.350 -0.000 0.000 0.270 1082 T C 1.648 176.414 174.700 0.110 0.000 1.008 1082 T CA 0.297 62.448 62.100 0.086 0.000 0.900 1082 T CB -0.004 68.893 68.868 0.050 0.000 1.084 1082 T HN 0.306 nan 8.240 nan 0.000 0.538 1083 S N 0.877 116.670 115.700 0.155 0.000 2.382 1083 S HA -0.074 4.395 4.470 -0.000 0.000 0.228 1083 S C 0.541 175.161 174.600 0.035 0.000 1.027 1083 S CA 0.478 58.748 58.200 0.116 0.000 0.991 1083 S CB -0.722 62.575 63.200 0.162 0.000 0.823 1083 S HN 0.698 nan 8.310 nan 0.000 0.469 1084 H N 1.711 120.820 119.070 0.064 0.000 2.472 1084 H HA 0.563 5.119 4.556 -0.000 0.000 0.335 1084 H C -0.233 175.130 175.328 0.057 0.000 1.136 1084 H CA -0.611 55.474 56.048 0.061 0.000 1.264 1084 H CB 0.497 30.301 29.762 0.070 0.000 1.486 1084 H HN 0.223 nan 8.280 nan 0.000 0.517 1085 D N 0.463 120.931 120.400 0.112 0.000 2.377 1085 D HA 0.303 4.943 4.640 -0.000 0.000 0.245 1085 D C 0.355 176.658 176.300 0.006 0.000 1.196 1085 D CA -0.429 53.596 54.000 0.042 0.000 0.962 1085 D CB 0.854 41.661 40.800 0.012 0.000 1.127 1085 D HN 0.666 nan 8.370 nan 0.000 0.471 1086 A N -0.097 122.593 122.820 -0.217 0.000 2.507 1086 A HA 0.479 4.798 4.320 -0.000 0.000 0.235 1086 A C 0.549 177.962 177.584 -0.285 0.000 1.070 1086 A CA 0.509 52.104 52.037 -0.736 0.000 0.768 1086 A CB 0.114 18.445 19.000 -1.115 0.000 1.011 1086 A HN 0.534 nan 8.150 nan 0.000 0.502 1087 G N -0.225 108.409 108.800 -0.277 0.000 2.731 1087 G HA2 0.592 4.552 3.960 -0.000 0.000 0.298 1087 G HA3 0.592 4.552 3.960 -0.000 0.000 0.298 1087 G C -1.373 173.445 174.900 -0.136 0.000 1.424 1087 G CA -0.382 44.701 45.100 -0.029 0.000 1.029 1087 G HN 0.556 nan 8.290 nan 0.000 0.518 1088 Y N 0.339 120.725 120.300 0.142 0.000 2.665 1088 Y HA 0.550 5.100 4.550 -0.000 0.000 0.336 1088 Y C 1.169 177.130 175.900 0.103 0.000 1.085 1088 Y CA -1.093 57.098 58.100 0.151 0.000 1.096 1088 Y CB 1.832 40.373 38.460 0.135 0.000 1.301 1088 Y HN 0.356 nan 8.280 nan 0.000 0.493 1089 I N 0.005 120.741 120.570 0.277 0.000 2.729 1089 I HA 0.085 4.254 4.170 -0.000 0.000 0.256 1089 I C -0.114 176.092 176.117 0.149 0.000 1.115 1089 I CA 0.711 62.107 61.300 0.160 0.000 1.446 1089 I CB 0.281 38.354 38.000 0.121 0.000 1.176 1089 I HN 0.566 nan 8.210 nan 0.000 0.446 1090 N N 0.554 119.361 118.700 0.179 0.000 2.629 1090 N HA 0.108 4.848 4.740 -0.000 0.000 0.277 1090 N C 0.367 175.944 175.510 0.111 0.000 1.188 1090 N CA -0.257 52.860 53.050 0.113 0.000 0.835 1090 N CB 0.937 39.476 38.487 0.087 0.000 1.420 1090 N HN -0.063 nan 8.380 nan 0.000 0.542 1091 K N 1.538 121.921 120.400 -0.027 0.000 2.160 1091 K HA -0.248 4.072 4.320 -0.000 0.000 0.206 1091 K C 1.720 178.268 176.600 -0.087 0.000 1.047 1091 K CA 2.392 58.515 56.287 -0.273 0.000 0.930 1091 K CB 0.156 32.237 32.500 -0.698 0.000 0.720 1091 K HN 0.663 nan 8.250 nan 0.000 0.450 1092 Q N 0.277 120.057 119.800 -0.033 0.000 2.424 1092 Q HA 0.103 4.443 4.340 -0.000 0.000 0.204 1092 Q C 1.830 177.860 176.000 0.051 0.000 0.933 1092 Q CA 0.669 56.474 55.803 0.003 0.000 0.929 1092 Q CB -0.199 28.536 28.738 -0.006 0.000 1.037 1092 Q HN 0.387 nan 8.270 nan 0.000 0.511 1093 L N -0.205 121.071 121.223 0.089 0.000 2.316 1093 L HA 0.145 4.485 4.340 -0.000 0.000 0.207 1093 L C 0.613 177.603 176.870 0.200 0.000 1.070 1093 L CA -0.069 54.850 54.840 0.133 0.000 0.820 1093 L CB 0.297 42.438 42.059 0.137 0.000 0.992 1093 L HN 0.389 nan 8.230 nan 0.000 0.466 1094 E N 1.200 121.541 120.200 0.234 0.000 2.415 1094 E HA -0.018 4.332 4.350 -0.000 0.000 0.260 1094 E C 0.804 177.453 176.600 0.082 0.000 1.016 1094 E CA 0.283 56.857 56.400 0.290 0.000 0.924 1094 E CB 0.754 30.652 29.700 0.330 0.000 0.961 1094 E HN 0.207 nan 8.360 nan 0.000 0.459 1095 K N 3.022 123.270 120.400 -0.254 0.000 2.262 1095 K HA 0.073 4.392 4.320 -0.000 0.000 0.200 1095 K C 0.561 177.095 176.600 -0.110 0.000 1.049 1095 K CA 0.725 56.849 56.287 -0.271 0.000 0.979 1095 K CB 0.255 32.424 32.500 -0.552 0.000 0.773 1095 K HN 0.353 nan 8.250 nan 0.000 0.474 1096 I N 0.695 121.213 120.570 -0.086 0.000 2.499 1096 I HA 0.355 4.525 4.170 -0.000 0.000 0.288 1096 I C -0.467 175.607 176.117 -0.070 0.000 1.048 1096 I CA -1.526 59.708 61.300 -0.110 0.000 1.062 1096 I CB 2.253 40.132 38.000 -0.202 0.000 1.238 1096 I HN 0.175 nan 8.210 nan 0.000 0.426 1097 V N 2.730 122.589 119.914 -0.091 0.000 3.103 1097 V HA 1.114 5.234 4.120 -0.000 0.000 0.318 1097 V C -0.042 175.951 176.094 -0.169 0.000 1.114 1097 V CA -0.633 61.665 62.300 -0.004 0.000 1.020 1097 V CB 1.469 33.472 31.823 0.300 0.000 1.085 1097 V HN 1.238 nan 8.190 nan 0.000 0.446 1098 G N 1.255 109.948 108.800 -0.178 0.000 3.088 1098 G HA2 0.274 4.234 3.960 -0.000 0.000 0.620 1098 G HA3 0.274 4.234 3.960 -0.000 0.000 0.620 1098 G C -1.635 173.285 174.900 0.034 0.000 1.375 1098 G CA -0.436 44.466 45.100 -0.330 0.000 1.016 1098 G HN 1.015 nan 8.290 nan 0.000 0.590 1099 L N 1.452 122.690 121.223 0.026 0.000 2.303 1099 L HA 0.497 4.837 4.340 -0.000 0.000 0.256 1099 L C 1.584 178.465 176.870 0.019 0.000 1.034 1099 L CA -1.098 53.783 54.840 0.068 0.000 0.832 1099 L CB 1.983 44.092 42.059 0.083 0.000 1.403 1099 L HN 0.712 nan 8.230 nan 0.000 0.419 1100 Q N -0.447 119.327 119.800 -0.045 0.000 2.049 1100 Q HA -0.027 4.313 4.340 -0.000 0.000 0.198 1100 Q C 0.532 176.406 176.000 -0.210 0.000 0.971 1100 Q CA 1.613 57.339 55.803 -0.130 0.000 0.833 1100 Q CB 0.125 28.753 28.738 -0.183 0.000 0.896 1100 Q HN 0.845 nan 8.270 nan 0.000 0.434 1101 T N -1.928 112.530 114.554 -0.161 0.000 2.797 1101 T HA 0.196 4.546 4.350 -0.000 0.000 0.267 1101 T C 0.567 175.334 174.700 0.112 0.000 0.986 1101 T CA -0.561 61.458 62.100 -0.136 0.000 0.999 1101 T CB 0.716 69.546 68.868 -0.062 0.000 1.508 1101 T HN -0.066 nan 8.240 nan 0.000 0.595 1102 E N 0.690 121.012 120.200 0.203 0.000 2.158 1102 E HA 0.368 4.718 4.350 -0.000 0.000 0.191 1102 E C 0.807 177.471 176.600 0.107 0.000 0.982 1102 E CA 0.691 57.177 56.400 0.144 0.000 0.823 1102 E CB -0.440 29.337 29.700 0.128 0.000 0.766 1102 E HN 0.797 nan 8.360 nan 0.000 0.468 1103 A N 1.562 124.436 122.820 0.089 0.000 2.324 1103 A HA 0.544 4.864 4.320 -0.000 0.000 0.330 1103 A C -2.552 175.059 177.584 0.045 0.000 1.165 1103 A CA -2.020 50.056 52.037 0.066 0.000 0.813 1103 A CB 0.574 19.605 19.000 0.051 0.000 1.197 1103 A HN -0.126 nan 8.150 nan 0.000 0.484 1104 P HA 0.216 nan 4.420 nan 0.000 0.264 1104 P C 0.346 177.646 177.300 -0.000 0.000 1.193 1104 P CA 0.433 63.548 63.100 0.025 0.000 0.763 1104 P CB 0.206 31.924 31.700 0.031 0.000 0.810 1105 L N -0.592 120.621 121.223 -0.018 0.000 4.884 1105 L HA -0.281 4.059 4.340 -0.000 0.000 0.430 1105 L C 0.716 177.569 176.870 -0.029 0.000 1.087 1105 L CA 0.726 55.544 54.840 -0.037 0.000 1.033 1105 L CB -1.279 40.757 42.059 -0.039 0.000 2.030 1105 L HN 0.484 nan 8.230 nan 0.000 0.762 1106 K N 2.085 122.479 120.400 -0.011 0.000 2.310 1106 K HA 0.341 4.661 4.320 -0.000 0.000 0.290 1106 K C 0.432 177.033 176.600 0.003 0.000 1.077 1106 K CA -0.423 55.873 56.287 0.016 0.000 0.922 1106 K CB 0.553 33.073 32.500 0.034 0.000 1.057 1106 K HN 0.135 nan 8.250 nan 0.000 0.479 1107 R N 2.136 122.653 120.500 0.028 0.000 2.490 1107 R HA 0.306 4.646 4.340 -0.000 0.000 0.278 1107 R C -0.104 176.238 176.300 0.069 0.000 1.069 1107 R CA -0.478 55.621 56.100 -0.000 0.000 1.080 1107 R CB 1.245 31.517 30.300 -0.047 0.000 1.030 1107 R HN 0.616 nan 8.270 nan 0.000 0.491 1108 A N 2.726 125.560 122.820 0.023 0.000 2.284 1108 A HA 0.609 4.929 4.320 -0.000 0.000 0.317 1108 A C -0.592 177.037 177.584 0.075 0.000 1.120 1108 A CA -0.827 51.250 52.037 0.066 0.000 0.900 1108 A CB 0.871 19.849 19.000 -0.038 0.000 1.319 1108 A HN 0.554 nan 8.150 nan 0.000 0.494 1109 L N 0.769 122.042 121.223 0.084 0.000 2.287 1109 L HA 0.437 4.777 4.340 -0.000 0.000 0.287 1109 L C -0.948 175.900 176.870 -0.036 0.000 1.022 1109 L CA 0.043 54.889 54.840 0.010 0.000 0.814 1109 L CB 1.017 43.074 42.059 -0.003 0.000 1.217 1109 L HN 0.533 nan 8.230 nan 0.000 0.420 1110 I N 5.736 126.268 120.570 -0.064 0.000 2.692 1110 I HA 0.176 4.346 4.170 -0.000 0.000 0.285 1110 I C -1.155 174.847 176.117 -0.191 0.000 1.191 1110 I CA -1.310 59.959 61.300 -0.053 0.000 1.128 1110 I CB 1.028 39.062 38.000 0.056 0.000 1.585 1110 I HN 0.448 nan 8.210 nan 0.000 0.558 1111 P HA -0.210 nan 4.420 nan 0.000 0.218 1111 P C 1.442 178.363 177.300 -0.631 0.000 1.146 1111 P CA 1.583 64.172 63.100 -0.851 0.000 0.813 1111 P CB 0.081 30.629 31.700 -1.920 0.000 0.778 1112 F N 1.046 120.872 119.950 -0.208 0.000 2.161 1112 F HA -0.070 4.457 4.527 -0.000 0.000 0.300 1112 F C 2.770 178.577 175.800 0.011 0.000 1.089 1112 F CA 1.717 59.720 58.000 0.006 0.000 1.282 1112 F CB -1.782 37.261 39.000 0.071 0.000 1.010 1112 F HN 0.001 nan 8.300 nan 0.000 0.485 1113 G N -0.966 107.920 108.800 0.144 0.000 2.422 1113 G HA2 0.303 4.263 3.960 -0.000 0.000 0.218 1113 G HA3 0.303 4.263 3.960 -0.000 0.000 0.218 1113 G C 0.663 175.654 174.900 0.151 0.000 1.140 1113 G CA 0.794 45.977 45.100 0.138 0.000 0.775 1113 G HN 0.681 nan 8.290 nan 0.000 0.545 1114 G N -1.420 107.412 108.800 0.053 0.000 2.341 1114 G HA2 0.286 4.246 3.960 -0.000 0.000 0.300 1114 G HA3 0.286 4.246 3.960 -0.000 0.000 0.300 1114 G C -0.152 174.722 174.900 -0.044 0.000 1.706 1114 G CA -0.330 44.779 45.100 0.015 0.000 0.916 1114 G HN 0.129 nan 8.290 nan 0.000 0.716 1115 I N 0.986 121.522 120.570 -0.056 0.000 2.585 1115 I HA 0.190 4.359 4.170 -0.000 0.000 0.254 1115 I C 2.426 178.515 176.117 -0.046 0.000 1.129 1115 I CA 1.174 62.432 61.300 -0.070 0.000 1.455 1115 I CB -0.090 37.891 38.000 -0.031 0.000 1.111 1115 I HN 0.593 nan 8.210 nan 0.000 0.433 1116 K N -0.414 119.958 120.400 -0.046 0.000 2.218 1116 K HA -0.190 4.130 4.320 -0.000 0.000 0.205 1116 K C 1.987 178.577 176.600 -0.017 0.000 1.046 1116 K CA 1.204 57.465 56.287 -0.044 0.000 0.933 1116 K CB -0.238 32.213 32.500 -0.081 0.000 0.728 1116 K HN 0.311 nan 8.250 nan 0.000 0.454 1117 M N 0.594 120.196 119.600 0.004 0.000 2.156 1117 M HA -0.072 4.408 4.480 -0.000 0.000 0.264 1117 M C 2.026 178.324 176.300 -0.004 0.000 1.067 1117 M CA 1.230 56.550 55.300 0.034 0.000 1.131 1117 M CB -0.285 32.366 32.600 0.085 0.000 1.368 1117 M HN 0.072 nan 8.290 nan 0.000 0.416 1118 I N 0.184 120.737 120.570 -0.029 0.000 2.179 1118 I HA -0.271 3.899 4.170 -0.000 0.000 0.242 1118 I C 2.072 178.190 176.117 0.003 0.000 1.088 1118 I CA 1.393 62.672 61.300 -0.036 0.000 1.357 1118 I CB -1.468 36.497 38.000 -0.058 0.000 1.051 1118 I HN 0.367 nan 8.210 nan 0.000 0.409 1119 E N 1.026 121.227 120.200 0.002 0.000 2.058 1119 E HA -0.196 4.154 4.350 -0.000 0.000 0.194 1119 E C 2.316 178.930 176.600 0.023 0.000 0.997 1119 E CA 1.399 57.809 56.400 0.018 0.000 0.801 1119 E CB -0.459 29.241 29.700 0.000 0.000 0.746 1119 E HN 0.589 nan 8.360 nan 0.000 0.450 1120 G N 0.817 109.621 108.800 0.007 0.000 2.442 1120 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.219 1120 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.219 1120 G C 1.705 176.610 174.900 0.008 0.000 1.141 1120 G CA 1.063 46.161 45.100 -0.002 0.000 0.763 1120 G HN 0.163 nan 8.290 nan 0.000 0.554 1121 S N -0.178 115.540 115.700 0.029 0.000 2.345 1121 S HA -0.154 4.315 4.470 -0.000 0.000 0.220 1121 S C 2.492 177.202 174.600 0.184 0.000 1.031 1121 S CA 1.168 59.417 58.200 0.082 0.000 0.996 1121 S CB -0.609 62.542 63.200 -0.081 0.000 0.882 1121 S HN 0.536 nan 8.310 nan 0.000 0.445 1122 C N 1.724 121.134 119.300 0.183 0.000 2.398 1122 C HA -0.107 4.353 4.460 -0.000 0.000 0.276 1122 C C 2.715 177.834 174.990 0.216 0.000 1.222 1122 C CA 1.152 60.359 59.018 0.315 0.000 1.746 1122 C CB -0.989 26.884 27.740 0.221 0.000 2.039 1122 C HN 0.592 nan 8.230 nan 0.000 0.470 1123 K N 1.423 121.886 120.400 0.105 0.000 1.977 1123 K HA -0.147 4.173 4.320 -0.000 0.000 0.218 1123 K C 2.147 178.755 176.600 0.013 0.000 1.051 1123 K CA 2.090 58.404 56.287 0.046 0.000 0.953 1123 K CB -0.689 31.815 32.500 0.006 0.000 0.727 1123 K HN 0.346 nan 8.250 nan 0.000 0.445 1124 A N -0.068 122.714 122.820 -0.063 0.000 1.869 1124 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 1124 A C 1.836 179.270 177.584 -0.250 0.000 1.203 1124 A CA 1.942 53.840 52.037 -0.233 0.000 0.638 1124 A CB -1.209 17.526 19.000 -0.441 0.000 0.831 1124 A HN 0.541 nan 8.150 nan 0.000 0.450 1125 Y N -0.277 120.073 120.300 0.084 0.000 2.471 1125 Y HA 0.178 4.728 4.550 -0.000 0.000 0.321 1125 Y C 0.770 176.771 175.900 0.168 0.000 1.195 1125 Y CA 0.013 58.205 58.100 0.152 0.000 1.272 1125 Y CB -1.176 37.436 38.460 0.253 0.000 1.097 1125 Y HN 0.589 nan 8.280 nan 0.000 0.507 1126 N N 1.728 120.537 118.700 0.181 0.000 2.629 1126 N HA -0.253 4.487 4.740 -0.000 0.000 0.278 1126 N C -0.846 174.736 175.510 0.121 0.000 1.102 1126 N CA 0.481 53.603 53.050 0.121 0.000 0.759 1126 N CB -0.319 38.213 38.487 0.075 0.000 0.911 1126 N HN 0.467 nan 8.380 nan 0.000 0.553 1127 R N 0.476 121.061 120.500 0.142 0.000 2.795 1127 R HA 0.428 4.768 4.340 -0.000 0.000 0.268 1127 R C -1.003 175.344 176.300 0.078 0.000 1.041 1127 R CA -0.900 55.241 56.100 0.069 0.000 0.927 1127 R CB 1.241 31.529 30.300 -0.019 0.000 1.235 1127 R HN 0.323 nan 8.270 nan 0.000 0.463 1128 E N 1.146 121.366 120.200 0.033 0.000 2.187 1128 E HA 0.297 4.647 4.350 -0.000 0.000 0.268 1128 E C -1.013 175.615 176.600 0.047 0.000 0.896 1128 E CA -0.646 55.778 56.400 0.041 0.000 0.766 1128 E CB 2.079 31.790 29.700 0.019 0.000 1.142 1128 E HN 0.239 nan 8.360 nan 0.000 0.408 1129 L N 3.359 124.619 121.223 0.062 0.000 2.360 1129 L HA 0.100 4.440 4.340 -0.000 0.000 0.276 1129 L C -0.036 176.856 176.870 0.038 0.000 1.121 1129 L CA -0.269 54.608 54.840 0.062 0.000 0.845 1129 L CB 0.626 42.720 42.059 0.059 0.000 1.143 1129 L HN 0.608 nan 8.230 nan 0.000 0.452 1130 D N 7.727 128.148 120.400 0.035 0.000 2.451 1130 D HA -0.009 4.631 4.640 -0.000 0.000 0.254 1130 D C -1.330 174.985 176.300 0.026 0.000 1.204 1130 D CA -1.538 52.478 54.000 0.026 0.000 0.896 1130 D CB 1.242 42.059 40.800 0.029 0.000 1.136 1130 D HN 0.354 nan 8.370 nan 0.000 0.499 1131 P HA -0.267 nan 4.420 nan 0.000 0.217 1131 P C 1.496 178.800 177.300 0.006 0.000 1.148 1131 P CA 1.084 64.189 63.100 0.008 0.000 0.834 1131 P CB 0.162 31.864 31.700 0.004 0.000 0.783 1132 M N -0.335 119.275 119.600 0.017 0.000 2.064 1132 M HA -0.101 4.379 4.480 -0.000 0.000 0.260 1132 M C 2.099 178.419 176.300 0.033 0.000 1.073 1132 M CA 1.736 57.047 55.300 0.020 0.000 1.124 1132 M CB -1.168 31.453 32.600 0.035 0.000 1.326 1132 M HN -0.287 nan 8.290 nan 0.000 0.410 1133 I N 0.543 121.158 120.570 0.074 0.000 2.185 1133 I HA -0.357 3.812 4.170 -0.000 0.000 0.246 1133 I C 2.366 178.590 176.117 0.178 0.000 1.088 1133 I CA 1.892 63.287 61.300 0.158 0.000 1.347 1133 I CB -1.407 36.664 38.000 0.118 0.000 1.041 1133 I HN 0.513 nan 8.210 nan 0.000 0.415 1134 K N 1.196 121.640 120.400 0.074 0.000 2.057 1134 K HA -0.231 4.089 4.320 -0.000 0.000 0.207 1134 K C 2.258 178.846 176.600 -0.021 0.000 1.049 1134 K CA 1.599 57.911 56.287 0.041 0.000 0.931 1134 K CB -0.094 32.410 32.500 0.007 0.000 0.714 1134 K HN 0.127 nan 8.250 nan 0.000 0.440 1135 K N 0.758 121.109 120.400 -0.082 0.000 2.057 1135 K HA -0.129 4.191 4.320 -0.000 0.000 0.207 1135 K C 2.068 178.406 176.600 -0.436 0.000 1.049 1135 K CA 1.614 57.764 56.287 -0.228 0.000 0.931 1135 K CB -0.126 32.251 32.500 -0.206 0.000 0.714 1135 K HN 0.193 nan 8.250 nan 0.000 0.440 1136 I N 0.227 120.600 120.570 -0.328 0.000 2.163 1136 I HA -0.254 3.916 4.170 -0.000 0.000 0.243 1136 I C 1.091 176.865 176.117 -0.571 0.000 1.085 1136 I CA 1.323 62.348 61.300 -0.459 0.000 1.347 1136 I CB -0.140 37.655 38.000 -0.342 0.000 1.044 1136 I HN 0.080 nan 8.210 nan 0.000 0.408 1137 F N -0.042 119.811 119.950 -0.162 0.000 2.701 1137 F HA 0.105 4.632 4.527 -0.000 0.000 0.295 1137 F C 1.459 177.173 175.800 -0.144 0.000 1.165 1137 F CA 0.170 58.086 58.000 -0.139 0.000 1.399 1137 F CB -0.111 38.800 39.000 -0.149 0.000 0.996 1137 F HN -0.092 nan 8.300 nan 0.000 0.513 1138 T N -2.200 112.291 114.554 -0.106 0.000 3.177 1138 T HA 0.042 4.392 4.350 -0.000 0.000 0.262 1138 T C 1.560 176.170 174.700 -0.150 0.000 0.959 1138 T CA 0.153 62.190 62.100 -0.105 0.000 0.996 1138 T CB 0.384 69.191 68.868 -0.101 0.000 1.185 1138 T HN 0.142 nan 8.240 nan 0.000 0.486 1139 E N -0.274 119.753 120.200 -0.288 0.000 2.340 1139 E HA 0.145 4.494 4.350 -0.000 0.000 0.198 1139 E C 0.944 177.516 176.600 -0.046 0.000 0.961 1139 E CA 0.443 56.699 56.400 -0.239 0.000 0.905 1139 E CB 0.404 29.882 29.700 -0.370 0.000 0.884 1139 E HN 0.400 nan 8.360 nan 0.000 0.491 1140 Y N 0.245 120.487 120.300 -0.097 0.000 2.439 1140 Y HA 0.261 4.811 4.550 -0.000 0.000 0.281 1140 Y C 1.110 176.951 175.900 -0.098 0.000 1.145 1140 Y CA -0.042 57.997 58.100 -0.102 0.000 1.252 1140 Y CB -0.171 38.202 38.460 -0.144 0.000 1.271 1140 Y HN -0.191 nan 8.280 nan 0.000 0.516 1141 R N 2.143 122.626 120.500 -0.029 0.000 2.215 1141 R HA 0.274 4.613 4.340 -0.000 0.000 0.336 1141 R C -0.678 175.620 176.300 -0.003 0.000 0.996 1141 R CA -0.500 55.591 56.100 -0.015 0.000 0.847 1141 R CB 0.497 30.726 30.300 -0.119 0.000 1.127 1141 R HN 0.034 nan 8.270 nan 0.000 0.465 1142 K N 2.529 122.901 120.400 -0.046 0.000 2.326 1142 K HA 0.146 4.466 4.320 -0.000 0.000 0.275 1142 K C -0.475 175.947 176.600 -0.297 0.000 1.018 1142 K CA -0.072 56.075 56.287 -0.234 0.000 0.962 1142 K CB 0.594 32.828 32.500 -0.442 0.000 0.953 1142 K HN 0.818 nan 8.250 nan 0.000 0.475 1143 T N -0.008 114.416 114.554 -0.216 0.000 2.943 1143 T HA 0.076 4.426 4.350 -0.000 0.000 0.284 1143 T C 1.153 175.782 174.700 -0.120 0.000 1.015 1143 T CA -0.498 61.560 62.100 -0.069 0.000 1.042 1143 T CB 1.278 70.155 68.868 0.014 0.000 1.055 1143 T HN 0.808 nan 8.240 nan 0.000 0.500 1144 H N 1.898 120.968 119.070 0.001 0.000 2.265 1144 H HA -0.221 4.335 4.556 -0.000 0.000 0.293 1144 H C 2.135 177.476 175.328 0.021 0.000 1.089 1144 H CA 2.787 58.867 56.048 0.055 0.000 1.244 1144 H CB -0.504 29.210 29.762 -0.080 0.000 1.355 1144 H HN 0.790 nan 8.280 nan 0.000 0.485 1145 N N -0.492 118.099 118.700 -0.181 0.000 2.027 1145 N HA -0.331 4.409 4.740 -0.000 0.000 0.200 1145 N C 2.078 177.545 175.510 -0.072 0.000 1.042 1145 N CA 2.194 55.147 53.050 -0.162 0.000 0.871 1145 N CB -0.338 38.119 38.487 -0.049 0.000 1.063 1145 N HN 0.483 nan 8.380 nan 0.000 0.438 1146 Q N 0.409 120.156 119.800 -0.089 0.000 2.112 1146 Q HA -0.071 4.268 4.340 -0.000 0.000 0.206 1146 Q C 1.999 177.966 176.000 -0.055 0.000 0.987 1146 Q CA 2.308 58.069 55.803 -0.071 0.000 0.858 1146 Q CB -1.154 27.519 28.738 -0.109 0.000 0.905 1146 Q HN 0.533 nan 8.270 nan 0.000 0.420 1147 G N -0.622 108.116 108.800 -0.102 0.000 2.418 1147 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.217 1147 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.217 1147 G C 1.484 176.364 174.900 -0.033 0.000 1.158 1147 G CA 1.039 46.153 45.100 0.023 0.000 0.771 1147 G HN 0.311 nan 8.290 nan 0.000 0.545 1148 V N 0.326 120.129 119.914 -0.186 0.000 2.237 1148 V HA -0.113 4.007 4.120 -0.000 0.000 0.245 1148 V C 2.456 178.199 176.094 -0.585 0.000 1.046 1148 V CA 1.616 63.639 62.300 -0.462 0.000 1.007 1148 V CB -0.675 30.713 31.823 -0.724 0.000 0.638 1148 V HN 0.321 nan 8.190 nan 0.000 0.445 1149 F N 0.395 120.068 119.950 -0.461 0.000 2.494 1149 F HA -0.127 4.400 4.527 -0.000 0.000 0.298 1149 F C 2.094 177.832 175.800 -0.104 0.000 1.106 1149 F CA 1.249 59.089 58.000 -0.266 0.000 1.452 1149 F CB -0.467 38.455 39.000 -0.130 0.000 1.085 1149 F HN 0.236 nan 8.300 nan 0.000 0.569 1150 D N -0.741 119.673 120.400 0.023 0.000 2.234 1150 D HA -0.043 4.597 4.640 -0.000 0.000 0.205 1150 D C 2.274 178.576 176.300 0.005 0.000 0.962 1150 D CA 0.908 54.926 54.000 0.031 0.000 0.855 1150 D CB 0.084 40.900 40.800 0.026 0.000 0.951 1150 D HN 0.141 nan 8.370 nan 0.000 0.500 1151 V N 0.249 120.132 119.914 -0.052 0.000 3.431 1151 V HA -0.014 4.106 4.120 -0.000 0.000 0.253 1151 V C 0.585 176.687 176.094 0.013 0.000 1.184 1151 V CA -0.203 62.069 62.300 -0.048 0.000 1.104 1151 V CB -0.254 31.508 31.823 -0.102 0.000 0.799 1151 V HN 0.058 nan 8.190 nan 0.000 0.462 1152 Y N 2.835 123.045 120.300 -0.151 0.000 2.861 1152 Y HA 0.146 4.696 4.550 -0.000 0.000 0.344 1152 Y C 1.342 177.178 175.900 -0.107 0.000 1.272 1152 Y CA 0.290 58.277 58.100 -0.187 0.000 1.502 1152 Y CB 0.121 38.387 38.460 -0.323 0.000 1.333 1152 Y HN 0.325 nan 8.280 nan 0.000 0.634 1153 T N 0.655 115.219 114.554 0.016 0.000 2.927 1153 T HA 0.347 4.697 4.350 -0.000 0.000 0.281 1153 T C -1.957 172.729 174.700 -0.023 0.000 0.998 1153 T CA -2.015 60.078 62.100 -0.013 0.000 1.019 1153 T CB 1.878 70.719 68.868 -0.045 0.000 1.061 1153 T HN 0.234 nan 8.240 nan 0.000 0.518 1154 P HA -0.031 nan 4.420 nan 0.000 0.217 1154 P C 0.658 177.969 177.300 0.017 0.000 1.150 1154 P CA 1.040 64.155 63.100 0.026 0.000 0.832 1154 P CB -0.073 31.651 31.700 0.040 0.000 0.787 1155 D N -0.582 119.833 120.400 0.024 0.000 2.104 1155 D HA -0.156 4.484 4.640 -0.000 0.000 0.194 1155 D C 1.874 178.164 176.300 -0.016 0.000 0.994 1155 D CA 1.000 55.041 54.000 0.068 0.000 0.830 1155 D CB -0.807 40.053 40.800 0.099 0.000 0.959 1155 D HN 0.156 nan 8.370 nan 0.000 0.452 1156 I N 0.136 120.612 120.570 -0.156 0.000 2.208 1156 I HA -0.231 3.939 4.170 -0.000 0.000 0.245 1156 I C 1.912 177.867 176.117 -0.269 0.000 1.097 1156 I CA 0.493 61.611 61.300 -0.304 0.000 1.363 1156 I CB -0.133 37.517 38.000 -0.584 0.000 1.051 1156 I HN 0.056 nan 8.210 nan 0.000 0.413 1157 L N 0.647 121.748 121.223 -0.203 0.000 2.042 1157 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 1157 L C 2.601 179.475 176.870 0.007 0.000 1.076 1157 L CA 1.796 56.591 54.840 -0.076 0.000 0.749 1157 L CB -0.952 41.121 42.059 0.023 0.000 0.893 1157 L HN 0.151 nan 8.230 nan 0.000 0.432 1158 R N -1.914 118.607 120.500 0.035 0.000 2.081 1158 R HA -0.167 4.172 4.340 -0.000 0.000 0.235 1158 R C 2.378 178.745 176.300 0.112 0.000 1.131 1158 R CA 1.663 57.813 56.100 0.084 0.000 0.960 1158 R CB -0.737 29.633 30.300 0.117 0.000 0.856 1158 R HN 0.390 nan 8.270 nan 0.000 0.436 1159 C N 0.097 119.464 119.300 0.111 0.000 2.413 1159 C HA -0.089 4.370 4.460 -0.000 0.000 0.276 1159 C C 2.562 177.609 174.990 0.095 0.000 1.248 1159 C CA 0.729 59.829 59.018 0.136 0.000 1.742 1159 C CB -0.873 26.904 27.740 0.061 0.000 2.017 1159 C HN 0.475 nan 8.230 nan 0.000 0.481 1160 R N 0.919 121.442 120.500 0.039 0.000 2.081 1160 R HA -0.149 4.191 4.340 -0.000 0.000 0.235 1160 R C 2.294 178.657 176.300 0.105 0.000 1.131 1160 R CA 1.383 57.524 56.100 0.068 0.000 0.960 1160 R CB -0.357 29.980 30.300 0.062 0.000 0.856 1160 R HN 0.565 nan 8.270 nan 0.000 0.436 1161 K N 0.827 121.288 120.400 0.101 0.000 2.097 1161 K HA -0.103 4.216 4.320 -0.000 0.000 0.205 1161 K C 2.122 178.786 176.600 0.106 0.000 1.050 1161 K CA 1.691 58.039 56.287 0.101 0.000 0.938 1161 K CB 0.062 32.615 32.500 0.087 0.000 0.718 1161 K HN 0.180 nan 8.250 nan 0.000 0.442 1162 S N -1.358 114.418 115.700 0.128 0.000 2.436 1162 S HA 0.084 4.554 4.470 -0.000 0.000 0.228 1162 S C 1.470 176.180 174.600 0.182 0.000 1.014 1162 S CA 0.828 59.128 58.200 0.167 0.000 0.950 1162 S CB 0.224 63.560 63.200 0.226 0.000 0.784 1162 S HN 0.545 nan 8.310 nan 0.000 0.504 1163 G N 0.351 109.242 108.800 0.151 0.000 2.195 1163 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.224 1163 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.224 1163 G C 0.896 175.841 174.900 0.076 0.000 0.990 1163 G CA 0.339 45.506 45.100 0.111 0.000 0.639 1163 G HN 1.162 nan 8.290 nan 0.000 0.514 1164 V N -1.644 118.341 119.914 0.118 0.000 2.392 1164 V HA 0.191 4.311 4.120 -0.000 0.000 0.249 1164 V C 1.278 177.356 176.094 -0.027 0.000 1.059 1164 V CA 1.433 63.761 62.300 0.046 0.000 1.051 1164 V CB -0.493 31.446 31.823 0.194 0.000 0.658 1164 V HN 0.294 nan 8.190 nan 0.000 0.455 1165 L N 0.643 121.873 121.223 0.011 0.000 2.313 1165 L HA 0.761 5.101 4.340 -0.000 0.000 0.283 1165 L C -0.239 176.651 176.870 0.032 0.000 1.013 1165 L CA 0.493 55.319 54.840 -0.024 0.000 0.816 1165 L CB 1.257 43.324 42.059 0.013 0.000 1.236 1165 L HN 0.319 nan 8.230 nan 0.000 0.419 1166 T N 1.218 115.792 114.554 0.033 0.000 2.916 1166 T HA 0.576 4.926 4.350 -0.000 0.000 0.305 1166 T C 0.455 175.226 174.700 0.118 0.000 1.119 1166 T CA 0.147 62.299 62.100 0.087 0.000 1.008 1166 T CB 1.379 70.294 68.868 0.079 0.000 1.129 1166 T HN 0.962 nan 8.240 nan 0.000 0.480 1167 G N 2.689 111.583 108.800 0.157 0.000 2.136 1167 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.242 1167 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.242 1167 G C 0.148 175.157 174.900 0.183 0.000 0.989 1167 G CA 0.183 45.393 45.100 0.184 0.000 0.682 1167 G HN 0.906 nan 8.290 nan 0.000 0.522 1168 L N 1.607 122.920 121.223 0.151 0.000 2.584 1168 L HA 0.200 4.540 4.340 -0.000 0.000 0.272 1168 L C -1.038 175.904 176.870 0.121 0.000 1.195 1168 L CA -0.988 53.935 54.840 0.138 0.000 0.920 1168 L CB 0.332 42.483 42.059 0.155 0.000 1.173 1168 L HN 0.051 nan 8.230 nan 0.000 0.489 1169 P HA 0.061 nan 4.420 nan 0.000 0.237 1169 P C -0.729 176.644 177.300 0.122 0.000 1.788 1169 P CA -0.275 62.855 63.100 0.051 0.000 1.061 1169 P CB 0.059 31.867 31.700 0.180 0.000 1.967 1170 D N 0.476 120.934 120.400 0.097 0.000 2.535 1170 D HA 0.238 4.878 4.640 -0.000 0.000 0.229 1170 D C 1.104 177.472 176.300 0.113 0.000 1.238 1170 D CA -0.596 53.458 54.000 0.091 0.000 0.824 1170 D CB 0.212 41.049 40.800 0.061 0.000 1.045 1170 D HN 0.177 nan 8.370 nan 0.000 0.500 1171 A N -0.553 122.323 122.820 0.094 0.000 2.498 1171 A HA 0.528 4.847 4.320 -0.000 0.000 0.238 1171 A C -0.246 177.530 177.584 0.321 0.000 1.225 1171 A CA 0.005 52.156 52.037 0.189 0.000 0.978 1171 A CB 0.186 19.353 19.000 0.279 0.000 1.142 1171 A HN 0.354 nan 8.150 nan 0.000 0.552 1172 Y N -4.944 115.465 120.300 0.181 0.000 3.010 1172 Y HA 0.466 5.015 4.550 -0.000 0.000 0.399 1172 Y C 0.211 176.177 175.900 0.111 0.000 1.189 1172 Y CA -1.401 56.761 58.100 0.103 0.000 1.175 1172 Y CB -0.178 38.289 38.460 0.012 0.000 1.619 1172 Y HN 0.641 nan 8.280 nan 0.000 0.459 1173 G N 1.735 110.715 108.800 0.300 0.000 2.635 1173 G HA2 0.054 4.014 3.960 -0.000 0.000 0.264 1173 G HA3 0.054 4.014 3.960 -0.000 0.000 0.264 1173 G C 0.647 175.590 174.900 0.072 0.000 0.583 1173 G CA 0.354 45.592 45.100 0.229 0.000 1.071 1173 G HN 1.044 nan 8.290 nan 0.000 0.270 1174 R N 2.935 123.472 120.500 0.062 0.000 2.090 1174 R HA 0.184 4.524 4.340 -0.000 0.000 0.219 1174 R C 1.587 177.856 176.300 -0.051 0.000 1.100 1174 R CA 0.249 56.336 56.100 -0.022 0.000 0.991 1174 R CB -0.620 29.585 30.300 -0.157 0.000 0.893 1174 R HN 1.088 nan 8.270 nan 0.000 0.443 1175 G N 2.106 110.873 108.800 -0.055 0.000 2.706 1175 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.343 1175 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.343 1175 G C -0.355 174.549 174.900 0.008 0.000 0.121 1175 G CA 0.463 45.557 45.100 -0.010 0.000 1.208 1175 G HN 0.367 nan 8.290 nan 0.000 0.529 1176 R N 1.495 122.030 120.500 0.058 0.000 2.583 1176 R HA 0.329 4.668 4.340 -0.000 0.000 0.329 1176 R C 0.070 176.438 176.300 0.112 0.000 1.166 1176 R CA -0.348 55.801 56.100 0.082 0.000 1.264 1176 R CB 0.391 30.749 30.300 0.096 0.000 1.324 1176 R HN 0.541 nan 8.270 nan 0.000 0.684 1177 I N 1.103 121.745 120.570 0.120 0.000 2.377 1177 I HA 0.446 4.616 4.170 -0.000 0.000 0.293 1177 I C -0.070 176.157 176.117 0.184 0.000 0.987 1177 I CA -0.750 60.630 61.300 0.133 0.000 1.185 1177 I CB 1.897 39.945 38.000 0.081 0.000 1.341 1177 I HN 0.061 nan 8.210 nan 0.000 0.455 1178 I N 5.703 126.376 120.570 0.171 0.000 2.428 1178 I HA 0.317 4.487 4.170 -0.000 0.000 0.279 1178 I C 0.720 176.753 176.117 -0.140 0.000 1.040 1178 I CA -0.390 60.958 61.300 0.081 0.000 1.171 1178 I CB 1.118 39.134 38.000 0.027 0.000 1.312 1178 I HN 0.616 nan 8.210 nan 0.000 0.470 1179 G N 3.260 111.900 108.800 -0.266 0.000 2.467 1179 G HA2 0.058 4.017 3.960 -0.000 0.000 0.257 1179 G HA3 0.058 4.017 3.960 -0.000 0.000 0.257 1179 G C -0.266 173.962 174.900 -1.122 0.000 1.227 1179 G CA -0.259 44.451 45.100 -0.649 0.000 0.835 1179 G HN 0.574 nan 8.290 nan 0.000 0.556 1180 D N 1.466 121.384 120.400 -0.803 0.000 2.470 1180 D HA 0.096 4.736 4.640 -0.000 0.000 0.226 1180 D C 0.479 176.463 176.300 -0.526 0.000 1.196 1180 D CA -0.357 53.282 54.000 -0.601 0.000 0.979 1180 D CB 0.116 40.676 40.800 -0.400 0.000 1.059 1180 D HN 0.370 nan 8.370 nan 0.000 0.515 1181 Y N 1.862 122.037 120.300 -0.209 0.000 2.509 1181 Y HA -0.022 4.528 4.550 -0.000 0.000 0.293 1181 Y C 2.041 177.837 175.900 -0.174 0.000 1.133 1181 Y CA 0.356 58.362 58.100 -0.156 0.000 1.283 1181 Y CB -0.099 38.248 38.460 -0.187 0.000 1.001 1181 Y HN 0.240 nan 8.280 nan 0.000 0.555 1182 R N 0.202 120.542 120.500 -0.267 0.000 2.237 1182 R HA -0.052 4.288 4.340 -0.000 0.000 0.219 1182 R C 2.000 178.125 176.300 -0.292 0.000 1.080 1182 R CA 0.739 56.504 56.100 -0.559 0.000 0.995 1182 R CB -0.300 29.113 30.300 -1.478 0.000 0.875 1182 R HN 0.322 nan 8.270 nan 0.000 0.462 1183 R N -0.009 120.428 120.500 -0.106 0.000 2.081 1183 R HA -0.074 4.266 4.340 -0.000 0.000 0.235 1183 R C 2.088 178.548 176.300 0.268 0.000 1.131 1183 R CA 1.503 57.691 56.100 0.146 0.000 0.960 1183 R CB -0.652 29.735 30.300 0.145 0.000 0.856 1183 R HN 0.041 nan 8.270 nan 0.000 0.436 1184 V N 1.502 121.551 119.914 0.225 0.000 2.250 1184 V HA -0.334 3.786 4.120 -0.000 0.000 0.250 1184 V C 2.536 178.903 176.094 0.455 0.000 1.060 1184 V CA 2.199 64.675 62.300 0.293 0.000 1.030 1184 V CB -0.901 31.071 31.823 0.248 0.000 0.643 1184 V HN 0.453 nan 8.190 nan 0.000 0.445 1185 A N -0.267 122.812 122.820 0.432 0.000 1.845 1185 A HA -0.194 4.126 4.320 -0.000 0.000 0.215 1185 A C 2.166 179.923 177.584 0.288 0.000 1.195 1185 A CA 2.142 54.419 52.037 0.399 0.000 0.616 1185 A CB -0.708 18.438 19.000 0.243 0.000 0.832 1185 A HN 0.464 nan 8.150 nan 0.000 0.443 1186 L N -2.161 119.187 121.223 0.209 0.000 2.131 1186 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 1186 L C 1.758 178.603 176.870 -0.042 0.000 1.092 1186 L CA 1.949 56.733 54.840 -0.094 0.000 0.759 1186 L CB -0.454 41.286 42.059 -0.531 0.000 0.903 1186 L HN 0.492 nan 8.230 nan 0.000 0.435 1187 Y N -0.945 119.572 120.300 0.362 0.000 2.452 1187 Y HA 0.557 5.107 4.550 -0.000 0.000 0.262 1187 Y C 1.269 177.366 175.900 0.327 0.000 1.089 1187 Y CA -0.018 58.284 58.100 0.337 0.000 1.262 1187 Y CB 0.016 38.613 38.460 0.228 0.000 1.236 1187 Y HN 0.078 nan 8.280 nan 0.000 0.512 1188 G N 0.850 109.949 108.800 0.499 0.000 2.721 1188 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.686 1188 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.686 1188 G C 0.322 175.407 174.900 0.308 0.000 1.236 1188 G CA -0.326 45.015 45.100 0.402 0.000 0.786 1188 G HN 0.001 nan 8.290 nan 0.000 0.616 1189 I N 1.164 121.836 120.570 0.171 0.000 2.163 1189 I HA -0.120 4.050 4.170 -0.000 0.000 0.243 1189 I C 2.498 178.684 176.117 0.115 0.000 1.085 1189 I CA 2.227 63.587 61.300 0.101 0.000 1.347 1189 I CB -1.104 36.892 38.000 -0.006 0.000 1.044 1189 I HN 0.644 nan 8.210 nan 0.000 0.408 1190 D N -0.029 120.444 120.400 0.121 0.000 2.133 1190 D HA -0.268 4.372 4.640 -0.000 0.000 0.195 1190 D C 2.132 178.527 176.300 0.158 0.000 0.997 1190 D CA 1.402 55.469 54.000 0.113 0.000 0.840 1190 D CB -0.518 40.350 40.800 0.113 0.000 0.947 1190 D HN 0.434 nan 8.370 nan 0.000 0.452 1191 Y N 0.864 121.230 120.300 0.111 0.000 2.242 1191 Y HA -0.059 4.491 4.550 -0.000 0.000 0.291 1191 Y C 2.132 178.076 175.900 0.074 0.000 1.137 1191 Y CA 1.072 59.241 58.100 0.115 0.000 1.181 1191 Y CB -0.135 38.448 38.460 0.204 0.000 0.989 1191 Y HN -0.069 nan 8.280 nan 0.000 0.527 1192 L N -0.730 120.632 121.223 0.232 0.000 2.156 1192 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 1192 L C 2.381 179.271 176.870 0.034 0.000 1.095 1192 L CA 1.068 55.974 54.840 0.110 0.000 0.770 1192 L CB -0.431 41.718 42.059 0.149 0.000 0.914 1192 L HN 0.330 nan 8.230 nan 0.000 0.439 1193 M N -0.382 119.242 119.600 0.040 0.000 2.156 1193 M HA -0.195 4.285 4.480 -0.000 0.000 0.264 1193 M C 2.378 178.745 176.300 0.112 0.000 1.067 1193 M CA 1.532 56.868 55.300 0.061 0.000 1.131 1193 M CB -0.300 32.274 32.600 -0.044 0.000 1.368 1193 M HN 0.139 nan 8.290 nan 0.000 0.416 1194 K N 0.476 120.882 120.400 0.011 0.000 2.097 1194 K HA -0.234 4.086 4.320 -0.000 0.000 0.206 1194 K C 1.471 178.012 176.600 -0.098 0.000 1.049 1194 K CA 1.978 58.240 56.287 -0.042 0.000 0.933 1194 K CB -0.094 32.344 32.500 -0.103 0.000 0.717 1194 K HN 0.151 nan 8.250 nan 0.000 0.442 1195 D N 0.620 120.913 120.400 -0.179 0.000 2.117 1195 D HA -0.147 4.493 4.640 -0.000 0.000 0.197 1195 D C 1.650 177.921 176.300 -0.049 0.000 0.987 1195 D CA 1.225 55.119 54.000 -0.175 0.000 0.829 1195 D CB 0.191 40.849 40.800 -0.236 0.000 0.961 1195 D HN 0.013 nan 8.370 nan 0.000 0.460 1196 K N -0.111 120.297 120.400 0.014 0.000 2.211 1196 K HA -0.001 4.319 4.320 -0.000 0.000 0.203 1196 K C 2.128 178.763 176.600 0.059 0.000 1.050 1196 K CA 0.314 56.642 56.287 0.068 0.000 0.945 1196 K CB -0.243 32.337 32.500 0.134 0.000 0.732 1196 K HN 0.350 nan 8.250 nan 0.000 0.451 1197 L N -0.018 121.211 121.223 0.010 0.000 2.313 1197 L HA -0.039 4.300 4.340 -0.000 0.000 0.214 1197 L C 2.270 179.171 176.870 0.051 0.000 1.119 1197 L CA 0.604 55.426 54.840 -0.031 0.000 0.809 1197 L CB -0.319 41.677 42.059 -0.105 0.000 0.933 1197 L HN 0.035 nan 8.230 nan 0.000 0.449 1198 A N -0.599 122.232 122.820 0.018 0.000 1.930 1198 A HA -0.161 4.159 4.320 -0.000 0.000 0.215 1198 A C 2.188 179.792 177.584 0.032 0.000 1.176 1198 A CA 0.884 52.928 52.037 0.012 0.000 0.632 1198 A CB -0.196 18.788 19.000 -0.027 0.000 0.819 1198 A HN 0.371 nan 8.150 nan 0.000 0.445 1199 Q N -1.621 118.206 119.800 0.045 0.000 2.046 1199 Q HA -0.127 4.212 4.340 -0.000 0.000 0.200 1199 Q C 1.875 177.922 176.000 0.078 0.000 0.975 1199 Q CA 1.632 57.464 55.803 0.049 0.000 0.836 1199 Q CB -0.297 28.475 28.738 0.056 0.000 0.896 1199 Q HN 0.719 nan 8.270 nan 0.000 0.428 1200 F N 1.137 121.061 119.950 -0.044 0.000 2.069 1200 F HA -0.263 4.264 4.527 -0.000 0.000 0.298 1200 F C 2.202 177.971 175.800 -0.051 0.000 1.113 1200 F CA 1.884 59.853 58.000 -0.053 0.000 1.214 1200 F CB -0.484 38.468 39.000 -0.080 0.000 0.978 1200 F HN -0.047 nan 8.300 nan 0.000 0.474 1201 T N -0.229 114.396 114.554 0.118 0.000 2.833 1201 T HA -0.186 4.163 4.350 -0.000 0.000 0.269 1201 T C 2.116 176.767 174.700 -0.081 0.000 1.054 1201 T CA 1.530 63.627 62.100 -0.005 0.000 1.135 1201 T CB -0.677 68.228 68.868 0.061 0.000 0.869 1201 T HN 0.483 nan 8.240 nan 0.000 0.466 1202 S N 1.232 116.899 115.700 -0.055 0.000 2.500 1202 S HA 0.066 4.536 4.470 -0.000 0.000 0.239 1202 S C 1.716 176.259 174.600 -0.095 0.000 0.989 1202 S CA 0.565 58.729 58.200 -0.059 0.000 0.951 1202 S CB -0.632 62.547 63.200 -0.035 0.000 0.759 1202 S HN 0.480 nan 8.310 nan 0.000 0.523 1203 L N 0.292 121.420 121.223 -0.159 0.000 2.567 1203 L HA 0.192 4.532 4.340 -0.000 0.000 0.225 1203 L C 2.766 179.518 176.870 -0.197 0.000 1.119 1203 L CA 0.151 54.883 54.840 -0.180 0.000 0.871 1203 L CB -0.391 41.528 42.059 -0.233 0.000 1.036 1203 L HN 0.370 nan 8.230 nan 0.000 0.459 1204 Q N 0.896 120.574 119.800 -0.203 0.000 2.014 1204 Q HA -0.283 4.057 4.340 -0.000 0.000 0.207 1204 Q C 2.358 178.292 176.000 -0.111 0.000 0.993 1204 Q CA 2.379 58.081 55.803 -0.168 0.000 0.850 1204 Q CB -0.069 28.593 28.738 -0.127 0.000 0.916 1204 Q HN 0.550 nan 8.270 nan 0.000 0.417 1205 A N 1.272 124.042 122.820 -0.085 0.000 1.869 1205 A HA -0.298 4.022 4.320 -0.000 0.000 0.218 1205 A C 1.760 179.306 177.584 -0.063 0.000 1.203 1205 A CA 2.215 54.214 52.037 -0.062 0.000 0.638 1205 A CB -1.087 17.883 19.000 -0.050 0.000 0.831 1205 A HN 0.499 nan 8.150 nan 0.000 0.450 1206 D N -0.703 119.655 120.400 -0.069 0.000 2.133 1206 D HA -0.151 4.488 4.640 -0.000 0.000 0.195 1206 D C 1.846 178.105 176.300 -0.069 0.000 0.997 1206 D CA 1.482 55.444 54.000 -0.064 0.000 0.840 1206 D CB -0.475 40.283 40.800 -0.068 0.000 0.947 1206 D HN 0.352 nan 8.370 nan 0.000 0.452 1207 L N 1.372 122.541 121.223 -0.089 0.000 1.970 1207 L HA -0.194 4.146 4.340 -0.000 0.000 0.212 1207 L C 1.924 178.755 176.870 -0.065 0.000 1.071 1207 L CA 1.892 56.679 54.840 -0.088 0.000 0.751 1207 L CB -0.564 41.422 42.059 -0.122 0.000 0.889 1207 L HN -0.014 nan 8.230 nan 0.000 0.432 1208 E N -0.581 119.582 120.200 -0.062 0.000 2.110 1208 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 1208 E C 1.518 178.095 176.600 -0.038 0.000 0.988 1208 E CA 1.155 57.528 56.400 -0.046 0.000 0.804 1208 E CB -0.232 29.442 29.700 -0.043 0.000 0.745 1208 E HN 0.549 nan 8.360 nan 0.000 0.458 1209 N N -0.154 118.522 118.700 -0.039 0.000 2.461 1209 N HA -0.009 4.730 4.740 -0.000 0.000 0.188 1209 N C 0.980 176.471 175.510 -0.031 0.000 1.134 1209 N CA 0.957 53.988 53.050 -0.032 0.000 0.878 1209 N CB 0.767 39.235 38.487 -0.032 0.000 0.972 1209 N HN 0.283 nan 8.380 nan 0.000 0.456 1210 G N 0.674 109.453 108.800 -0.034 0.000 2.168 1210 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.257 1210 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.257 1210 G C 0.148 175.030 174.900 -0.031 0.000 0.997 1210 G CA 0.614 45.696 45.100 -0.031 0.000 0.708 1210 G HN 0.422 nan 8.290 nan 0.000 0.520 1211 V N -0.650 119.244 119.914 -0.034 0.000 2.405 1211 V HA 0.545 4.665 4.120 -0.000 0.000 0.264 1211 V C 0.772 176.844 176.094 -0.037 0.000 1.048 1211 V CA 0.625 62.905 62.300 -0.033 0.000 0.966 1211 V CB -0.662 31.141 31.823 -0.033 0.000 1.015 1211 V HN 0.662 nan 8.190 nan 0.000 0.477 1212 N N 3.414 122.095 118.700 -0.032 0.000 2.727 1212 N HA -0.219 4.521 4.740 -0.000 0.000 0.251 1212 N C 0.508 175.996 175.510 -0.037 0.000 1.040 1212 N CA 0.496 53.526 53.050 -0.033 0.000 0.712 1212 N CB -0.860 37.605 38.487 -0.038 0.000 0.912 1212 N HN 0.750 nan 8.380 nan 0.000 0.545 1213 L N 0.814 122.017 121.223 -0.033 0.000 1.965 1213 L HA -0.253 4.086 4.340 -0.000 0.000 0.226 1213 L C 2.085 178.933 176.870 -0.036 0.000 1.083 1213 L CA 2.133 56.952 54.840 -0.035 0.000 0.790 1213 L CB -0.402 41.641 42.059 -0.027 0.000 0.898 1213 L HN 0.332 nan 8.230 nan 0.000 0.439 1214 E N -1.368 118.817 120.200 -0.025 0.000 2.204 1214 E HA -0.273 4.076 4.350 -0.000 0.000 0.195 1214 E C 2.073 178.655 176.600 -0.030 0.000 0.990 1214 E CA 1.284 57.671 56.400 -0.021 0.000 0.821 1214 E CB -0.080 29.618 29.700 -0.003 0.000 0.750 1214 E HN 0.618 nan 8.360 nan 0.000 0.477 1215 Q N -0.440 119.339 119.800 -0.035 0.000 2.187 1215 Q HA -0.025 4.315 4.340 -0.000 0.000 0.199 1215 Q C 2.041 178.006 176.000 -0.059 0.000 0.957 1215 Q CA 1.232 57.008 55.803 -0.045 0.000 0.857 1215 Q CB 0.010 28.720 28.738 -0.047 0.000 0.929 1215 Q HN 0.105 nan 8.270 nan 0.000 0.453 1216 T N 0.586 115.103 114.554 -0.062 0.000 2.857 1216 T HA 0.003 4.353 4.350 -0.000 0.000 0.266 1216 T C 1.732 176.378 174.700 -0.090 0.000 1.048 1216 T CA 0.755 62.807 62.100 -0.080 0.000 1.139 1216 T CB -0.129 68.688 68.868 -0.085 0.000 0.874 1216 T HN 0.177 nan 8.240 nan 0.000 0.455 1217 I N 0.867 121.393 120.570 -0.074 0.000 2.226 1217 I HA -0.176 3.994 4.170 -0.000 0.000 0.245 1217 I C 2.795 178.872 176.117 -0.066 0.000 1.100 1217 I CA 1.234 62.494 61.300 -0.067 0.000 1.374 1217 I CB -0.348 37.624 38.000 -0.048 0.000 1.057 1217 I HN 0.147 nan 8.210 nan 0.000 0.413 1218 R N 1.341 121.797 120.500 -0.072 0.000 2.070 1218 R HA -0.167 4.173 4.340 -0.000 0.000 0.233 1218 R C 2.442 178.678 176.300 -0.106 0.000 1.137 1218 R CA 1.390 57.434 56.100 -0.095 0.000 0.945 1218 R CB -0.303 29.941 30.300 -0.092 0.000 0.845 1218 R HN 0.311 nan 8.270 nan 0.000 0.430 1219 L N 0.643 121.815 121.223 -0.085 0.000 2.079 1219 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 1219 L C 2.559 179.407 176.870 -0.037 0.000 1.081 1219 L CA 1.542 56.342 54.840 -0.067 0.000 0.752 1219 L CB -0.212 41.812 42.059 -0.057 0.000 0.896 1219 L HN 0.323 nan 8.230 nan 0.000 0.433 1220 R N -0.417 120.053 120.500 -0.050 0.000 2.066 1220 R HA -0.222 4.118 4.340 -0.000 0.000 0.232 1220 R C 2.175 178.570 176.300 0.158 0.000 1.131 1220 R CA 1.704 57.815 56.100 0.018 0.000 0.955 1220 R CB -0.256 29.952 30.300 -0.153 0.000 0.851 1220 R HN 0.398 nan 8.270 nan 0.000 0.432 1221 E N 0.986 121.212 120.200 0.044 0.000 2.110 1221 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 1221 E C 1.537 178.108 176.600 -0.048 0.000 0.988 1221 E CA 1.307 57.717 56.400 0.016 0.000 0.804 1221 E CB 0.161 29.834 29.700 -0.046 0.000 0.745 1221 E HN 0.370 nan 8.360 nan 0.000 0.458 1222 E N 0.313 120.425 120.200 -0.146 0.000 2.077 1222 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 1222 E C 2.236 178.838 176.600 0.004 0.000 0.989 1222 E CA 1.174 57.399 56.400 -0.290 0.000 0.800 1222 E CB -0.097 29.303 29.700 -0.501 0.000 0.746 1222 E HN 0.419 nan 8.360 nan 0.000 0.452 1223 I N 1.132 121.754 120.570 0.086 0.000 2.315 1223 I HA -0.228 3.942 4.170 -0.000 0.000 0.248 1223 I C 2.565 178.756 176.117 0.123 0.000 1.117 1223 I CA 0.654 62.048 61.300 0.157 0.000 1.404 1223 I CB -0.308 37.822 38.000 0.218 0.000 1.071 1223 I HN 0.070 nan 8.210 nan 0.000 0.419 1224 A N 0.612 123.481 122.820 0.082 0.000 1.908 1224 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 1224 A C 2.210 179.823 177.584 0.050 0.000 1.181 1224 A CA 1.583 53.596 52.037 -0.041 0.000 0.627 1224 A CB -0.431 18.535 19.000 -0.057 0.000 0.818 1224 A HN 0.353 nan 8.150 nan 0.000 0.445 1225 E N -0.070 120.171 120.200 0.068 0.000 2.150 1225 E HA -0.189 4.160 4.350 -0.000 0.000 0.193 1225 E C 2.179 178.859 176.600 0.133 0.000 0.985 1225 E CA 1.191 57.648 56.400 0.095 0.000 0.814 1225 E CB -0.347 29.418 29.700 0.108 0.000 0.752 1225 E HN 0.795 nan 8.360 nan 0.000 0.466 1226 Q N -0.268 119.634 119.800 0.170 0.000 2.016 1226 Q HA -0.188 4.151 4.340 -0.000 0.000 0.200 1226 Q C 2.174 178.240 176.000 0.110 0.000 0.978 1226 Q CA 1.515 57.409 55.803 0.152 0.000 0.833 1226 Q CB -0.361 28.478 28.738 0.168 0.000 0.895 1226 Q HN 0.384 nan 8.270 nan 0.000 0.427 1227 H N 1.034 120.112 119.070 0.013 0.000 2.265 1227 H HA -0.169 4.387 4.556 -0.000 0.000 0.295 1227 H C 2.182 177.498 175.328 -0.020 0.000 1.084 1227 H CA 2.340 58.375 56.048 -0.022 0.000 1.261 1227 H CB 0.007 29.722 29.762 -0.078 0.000 1.360 1227 H HN 0.060 nan 8.280 nan 0.000 0.487 1228 R N 0.046 120.587 120.500 0.067 0.000 2.113 1228 R HA -0.210 4.130 4.340 -0.000 0.000 0.244 1228 R C 2.429 178.705 176.300 -0.041 0.000 1.142 1228 R CA 1.679 57.779 56.100 -0.000 0.000 0.953 1228 R CB -0.629 29.696 30.300 0.042 0.000 0.860 1228 R HN 0.449 nan 8.270 nan 0.000 0.438 1229 A N 0.937 123.754 122.820 -0.006 0.000 1.908 1229 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 1229 A C 2.246 179.805 177.584 -0.042 0.000 1.181 1229 A CA 1.478 53.509 52.037 -0.009 0.000 0.627 1229 A CB -0.614 18.397 19.000 0.019 0.000 0.818 1229 A HN 0.395 nan 8.150 nan 0.000 0.445 1230 L N -0.727 120.458 121.223 -0.064 0.000 2.127 1230 L HA -0.166 4.174 4.340 -0.000 0.000 0.211 1230 L C 2.769 179.566 176.870 -0.122 0.000 1.089 1230 L CA 1.060 55.851 54.840 -0.082 0.000 0.757 1230 L CB -0.666 41.336 42.059 -0.095 0.000 0.899 1230 L HN 0.517 nan 8.230 nan 0.000 0.434 1231 G N -0.859 107.841 108.800 -0.166 0.000 2.402 1231 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.216 1231 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.216 1231 G C 1.440 176.281 174.900 -0.097 0.000 1.162 1231 G CA 0.205 45.215 45.100 -0.151 0.000 0.777 1231 G HN 0.436 nan 8.290 nan 0.000 0.539 1232 Q N -0.573 119.184 119.800 -0.072 0.000 2.369 1232 Q HA 0.169 4.508 4.340 -0.000 0.000 0.206 1232 Q C 2.377 178.333 176.000 -0.074 0.000 0.963 1232 Q CA 0.414 56.187 55.803 -0.050 0.000 0.894 1232 Q CB -0.147 28.580 28.738 -0.019 0.000 0.965 1232 Q HN 0.445 nan 8.270 nan 0.000 0.475 1233 M N 0.653 120.197 119.600 -0.093 0.000 2.132 1233 M HA -0.172 4.308 4.480 -0.000 0.000 0.263 1233 M C 1.849 178.024 176.300 -0.208 0.000 1.065 1233 M CA 1.512 56.733 55.300 -0.132 0.000 1.122 1233 M CB 0.112 32.650 32.600 -0.103 0.000 1.365 1233 M HN 0.057 nan 8.290 nan 0.000 0.411 1234 K N -0.088 120.206 120.400 -0.176 0.000 2.026 1234 K HA -0.180 4.139 4.320 -0.000 0.000 0.208 1234 K C 1.744 178.242 176.600 -0.170 0.000 1.048 1234 K CA 1.614 57.785 56.287 -0.193 0.000 0.929 1234 K CB -0.249 32.175 32.500 -0.128 0.000 0.713 1234 K HN 0.449 nan 8.250 nan 0.000 0.439 1235 E N 0.770 120.903 120.200 -0.111 0.000 2.070 1235 E HA -0.259 4.090 4.350 -0.000 0.000 0.197 1235 E C 2.042 178.599 176.600 -0.071 0.000 1.004 1235 E CA 1.481 57.839 56.400 -0.070 0.000 0.805 1235 E CB -0.165 29.511 29.700 -0.040 0.000 0.744 1235 E HN 0.319 nan 8.360 nan 0.000 0.451 1236 M N 0.812 120.350 119.600 -0.103 0.000 2.067 1236 M HA -0.170 4.310 4.480 -0.000 0.000 0.260 1236 M C 2.402 178.606 176.300 -0.160 0.000 1.069 1236 M CA 1.958 57.208 55.300 -0.082 0.000 1.117 1236 M CB -0.181 32.351 32.600 -0.114 0.000 1.334 1236 M HN 0.118 nan 8.290 nan 0.000 0.407 1237 A N 0.487 123.008 122.820 -0.499 0.000 1.940 1237 A HA -0.106 4.213 4.320 -0.000 0.000 0.219 1237 A C 2.353 179.813 177.584 -0.206 0.000 1.176 1237 A CA 2.155 53.653 52.037 -0.897 0.000 0.631 1237 A CB -1.278 16.989 19.000 -1.221 0.000 0.814 1237 A HN 0.730 nan 8.150 nan 0.000 0.446 1238 A N 0.088 122.839 122.820 -0.114 0.000 1.908 1238 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 1238 A C 2.039 179.675 177.584 0.086 0.000 1.181 1238 A CA 1.879 53.922 52.037 0.010 0.000 0.627 1238 A CB -0.523 18.467 19.000 -0.016 0.000 0.818 1238 A HN 0.581 nan 8.150 nan 0.000 0.445 1239 K N -1.756 118.695 120.400 0.085 0.000 2.281 1239 K HA -0.163 4.157 4.320 -0.000 0.000 0.203 1239 K C 0.419 177.047 176.600 0.048 0.000 1.046 1239 K CA 1.368 57.691 56.287 0.060 0.000 0.938 1239 K CB -0.266 32.258 32.500 0.040 0.000 0.737 1239 K HN 0.663 nan 8.250 nan 0.000 0.458 1240 Y N 0.137 120.542 120.300 0.175 0.000 2.683 1240 Y HA 0.187 4.737 4.550 -0.000 0.000 0.297 1240 Y C 1.210 177.377 175.900 0.446 0.000 1.147 1240 Y CA -0.053 58.261 58.100 0.355 0.000 1.274 1240 Y CB 0.518 39.257 38.460 0.465 0.000 1.143 1240 Y HN 0.207 nan 8.280 nan 0.000 0.527 1241 G N -0.660 108.338 108.800 0.330 0.000 2.153 1241 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.252 1241 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.252 1241 G C -0.357 174.595 174.900 0.087 0.000 0.994 1241 G CA 0.021 45.225 45.100 0.174 0.000 0.698 1241 G HN 0.381 nan 8.290 nan 0.000 0.521 1242 Y N -0.226 120.181 120.300 0.179 0.000 2.429 1242 Y HA 0.580 5.130 4.550 -0.000 0.000 0.342 1242 Y C -0.134 175.752 175.900 -0.024 0.000 1.004 1242 Y CA -1.141 57.045 58.100 0.144 0.000 1.075 1242 Y CB 2.087 40.699 38.460 0.253 0.000 1.214 1242 Y HN 0.087 nan 8.280 nan 0.000 0.455 1243 D N 3.358 123.854 120.400 0.161 0.000 2.461 1243 D HA 0.230 4.870 4.640 -0.000 0.000 0.240 1243 D C -0.048 176.251 176.300 -0.000 0.000 1.094 1243 D CA -0.421 53.606 54.000 0.044 0.000 0.868 1243 D CB 0.452 41.301 40.800 0.082 0.000 1.062 1243 D HN 0.564 nan 8.370 nan 0.000 0.530 1244 I N 1.067 121.473 120.570 -0.274 0.000 3.855 1244 I HA 0.155 4.325 4.170 -0.000 0.000 0.327 1244 I C 1.237 177.284 176.117 -0.117 0.000 1.359 1244 I CA -0.333 60.663 61.300 -0.506 0.000 1.142 1244 I CB -0.009 37.352 38.000 -1.066 0.000 1.041 1244 I HN 0.160 nan 8.210 nan 0.000 0.403 1245 S N 0.841 116.542 115.700 0.003 0.000 2.399 1245 S HA 0.047 4.517 4.470 -0.000 0.000 0.231 1245 S C 1.212 175.901 174.600 0.148 0.000 1.022 1245 S CA 0.534 58.769 58.200 0.057 0.000 0.983 1245 S CB -0.765 62.464 63.200 0.048 0.000 0.803 1245 S HN 0.595 nan 8.310 nan 0.000 0.480 1246 G N 1.985 110.915 108.800 0.216 0.000 2.491 1246 G HA2 0.602 4.562 3.960 -0.000 0.000 0.327 1246 G HA3 0.602 4.562 3.960 -0.000 0.000 0.327 1246 G C -3.081 172.057 174.900 0.396 0.000 1.189 1246 G CA -2.169 43.075 45.100 0.240 0.000 0.956 1246 G HN 0.176 nan 8.290 nan 0.000 0.491 1247 P HA 0.280 nan 4.420 nan 0.000 0.271 1247 P C 0.132 177.593 177.300 0.268 0.000 1.216 1247 P CA 0.005 63.327 63.100 0.370 0.000 0.771 1247 P CB 1.051 32.892 31.700 0.235 0.000 0.864 1248 A N 3.635 126.472 122.820 0.027 0.000 2.565 1248 A HA 0.108 4.428 4.320 -0.000 0.000 0.237 1248 A C 1.427 178.930 177.584 -0.136 0.000 1.053 1248 A CA 0.601 52.307 52.037 -0.552 0.000 0.755 1248 A CB -0.696 17.711 19.000 -0.989 0.000 0.980 1248 A HN 0.609 nan 8.150 nan 0.000 0.506 1249 T N 2.016 116.471 114.554 -0.165 0.000 2.925 1249 T HA 0.015 4.365 4.350 -0.000 0.000 0.245 1249 T C 0.992 175.699 174.700 0.011 0.000 1.025 1249 T CA 1.219 63.312 62.100 -0.012 0.000 1.149 1249 T CB -0.278 68.578 68.868 -0.020 0.000 0.866 1249 T HN 0.951 nan 8.240 nan 0.000 0.437 1250 N N 0.636 119.293 118.700 -0.071 0.000 2.604 1250 N HA 0.586 5.326 4.740 -0.000 0.000 0.297 1250 N C 1.002 176.479 175.510 -0.055 0.000 1.266 1250 N CA -0.155 52.882 53.050 -0.022 0.000 0.961 1250 N CB 0.216 38.681 38.487 -0.037 0.000 1.166 1250 N HN 0.046 nan 8.380 nan 0.000 0.601 1251 A N -1.205 121.616 122.820 0.001 0.000 2.014 1251 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 1251 A C 2.024 179.548 177.584 -0.100 0.000 1.163 1251 A CA 1.191 53.222 52.037 -0.009 0.000 0.652 1251 A CB -0.951 18.075 19.000 0.043 0.000 0.808 1251 A HN 0.798 nan 8.150 nan 0.000 0.449 1252 Q N -0.268 119.476 119.800 -0.093 0.000 2.079 1252 Q HA -0.187 4.153 4.340 -0.000 0.000 0.200 1252 Q C 1.845 177.750 176.000 -0.159 0.000 0.974 1252 Q CA 1.637 57.390 55.803 -0.084 0.000 0.840 1252 Q CB -0.090 28.635 28.738 -0.022 0.000 0.898 1252 Q HN 0.791 nan 8.270 nan 0.000 0.430 1253 E N 0.104 120.108 120.200 -0.326 0.000 2.072 1253 E HA -0.172 4.178 4.350 -0.000 0.000 0.191 1253 E C 1.967 178.103 176.600 -0.773 0.000 0.985 1253 E CA 0.753 56.671 56.400 -0.804 0.000 0.801 1253 E CB -0.146 28.832 29.700 -1.203 0.000 0.750 1253 E HN 0.418 nan 8.360 nan 0.000 0.452 1254 A N 1.706 124.134 122.820 -0.652 0.000 1.859 1254 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 1254 A C 2.239 179.725 177.584 -0.163 0.000 1.198 1254 A CA 1.562 53.224 52.037 -0.625 0.000 0.629 1254 A CB -0.844 17.506 19.000 -1.083 0.000 0.830 1254 A HN 0.148 nan 8.150 nan 0.000 0.446 1255 I N -1.027 119.487 120.570 -0.093 0.000 2.127 1255 I HA -0.306 3.864 4.170 -0.000 0.000 0.241 1255 I C 2.808 178.990 176.117 0.108 0.000 1.075 1255 I CA 1.948 63.282 61.300 0.057 0.000 1.334 1255 I CB -0.389 37.616 38.000 0.008 0.000 1.040 1255 I HN 0.440 nan 8.210 nan 0.000 0.405 1256 Q N 0.523 120.351 119.800 0.047 0.000 2.096 1256 Q HA -0.216 4.124 4.340 -0.000 0.000 0.204 1256 Q C 2.046 178.191 176.000 0.242 0.000 0.982 1256 Q CA 1.958 57.766 55.803 0.008 0.000 0.850 1256 Q CB -0.356 28.356 28.738 -0.043 0.000 0.901 1256 Q HN 0.523 nan 8.270 nan 0.000 0.422 1257 W N -0.236 121.064 121.300 0.000 0.000 2.353 1257 W HA -0.202 4.458 4.660 -0.000 0.000 0.319 1257 W C 2.158 178.778 176.519 0.167 0.000 1.207 1257 W CA 1.144 58.584 57.345 0.157 0.000 1.291 1257 W CB -0.586 28.953 29.460 0.133 0.000 1.159 1257 W HN 0.166 nan 8.180 nan 0.000 0.478 1258 T N 0.031 114.836 114.554 0.418 0.000 2.653 1258 T HA -0.344 4.005 4.350 -0.000 0.000 0.268 1258 T C 1.298 176.174 174.700 0.292 0.000 1.035 1258 T CA 2.075 64.359 62.100 0.307 0.000 1.154 1258 T CB -0.912 68.127 68.868 0.285 0.000 0.862 1258 T HN 0.165 nan 8.240 nan 0.000 0.441 1259 Y N 0.902 121.314 120.300 0.186 0.000 2.181 1259 Y HA -0.101 4.448 4.550 -0.000 0.000 0.288 1259 Y C 1.897 177.870 175.900 0.123 0.000 1.146 1259 Y CA 0.740 58.935 58.100 0.159 0.000 1.164 1259 Y CB -0.634 37.807 38.460 -0.031 0.000 0.982 1259 Y HN 0.134 nan 8.280 nan 0.000 0.515 1260 F N 0.240 120.137 119.950 -0.087 0.000 2.126 1260 F HA -0.082 4.444 4.527 -0.000 0.000 0.299 1260 F C 2.697 178.377 175.800 -0.200 0.000 1.096 1260 F CA 1.418 59.263 58.000 -0.258 0.000 1.255 1260 F CB -1.300 37.579 39.000 -0.202 0.000 0.997 1260 F HN 0.129 nan 8.300 nan 0.000 0.479 1261 G N -1.651 107.245 108.800 0.160 0.000 2.469 1261 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.219 1261 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.219 1261 G C 1.667 176.595 174.900 0.046 0.000 1.150 1261 G CA 1.090 46.305 45.100 0.191 0.000 0.763 1261 G HN 0.439 nan 8.290 nan 0.000 0.561 1262 Y N 0.596 120.635 120.300 -0.435 0.000 2.263 1262 Y HA 0.055 4.605 4.550 -0.000 0.000 0.292 1262 Y C 2.424 178.087 175.900 -0.394 0.000 1.130 1262 Y CA 1.194 58.824 58.100 -0.783 0.000 1.179 1262 Y CB -0.274 37.815 38.460 -0.618 0.000 0.998 1262 Y HN 0.120 nan 8.280 nan 0.000 0.532 1263 L N 0.794 121.728 121.223 -0.481 0.000 2.079 1263 L HA -0.105 4.235 4.340 -0.000 0.000 0.210 1263 L C 2.381 179.072 176.870 -0.298 0.000 1.081 1263 L CA 2.080 56.624 54.840 -0.492 0.000 0.752 1263 L CB -1.221 40.517 42.059 -0.535 0.000 0.896 1263 L HN 0.282 nan 8.230 nan 0.000 0.433 1264 A N -0.666 122.039 122.820 -0.192 0.000 1.930 1264 A HA -0.059 4.261 4.320 -0.000 0.000 0.217 1264 A C 2.454 179.984 177.584 -0.089 0.000 1.175 1264 A CA 1.629 53.608 52.037 -0.098 0.000 0.627 1264 A CB -1.054 17.921 19.000 -0.041 0.000 0.815 1264 A HN 0.554 nan 8.150 nan 0.000 0.443 1265 A N -0.587 122.155 122.820 -0.130 0.000 1.877 1265 A HA -0.014 4.305 4.320 -0.000 0.000 0.216 1265 A C 2.081 179.601 177.584 -0.108 0.000 1.186 1265 A CA 1.761 53.750 52.037 -0.080 0.000 0.620 1265 A CB -0.894 18.083 19.000 -0.037 0.000 0.822 1265 A HN 0.439 nan 8.150 nan 0.000 0.443 1266 V N -0.204 119.536 119.914 -0.289 0.000 3.141 1266 V HA -0.139 3.981 4.120 -0.000 0.000 0.265 1266 V C 2.102 178.184 176.094 -0.020 0.000 1.126 1266 V CA 1.966 64.177 62.300 -0.148 0.000 1.141 1266 V CB -0.600 30.965 31.823 -0.430 0.000 0.743 1266 V HN 0.524 nan 8.190 nan 0.000 0.492 1267 K N 0.161 120.530 120.400 -0.052 0.000 2.334 1267 K HA 0.028 4.347 4.320 -0.000 0.000 0.195 1267 K C 2.101 178.743 176.600 0.071 0.000 1.045 1267 K CA 1.100 57.381 56.287 -0.010 0.000 1.004 1267 K CB 0.191 32.673 32.500 -0.030 0.000 0.837 1267 K HN 0.604 nan 8.250 nan 0.000 0.510 1268 S N -0.447 115.297 115.700 0.074 0.000 2.506 1268 S HA 0.155 4.625 4.470 -0.000 0.000 0.219 1268 S C 0.593 175.265 174.600 0.120 0.000 1.031 1268 S CA -0.394 57.872 58.200 0.109 0.000 0.911 1268 S CB 0.374 63.613 63.200 0.064 0.000 0.812 1268 S HN -0.051 nan 8.310 nan 0.000 0.497 1269 Q N 1.964 121.822 119.800 0.097 0.000 2.433 1269 Q HA 0.456 4.795 4.340 -0.000 0.000 0.279 1269 Q C -1.250 174.721 176.000 -0.048 0.000 1.105 1269 Q CA -0.423 55.414 55.803 0.057 0.000 0.815 1269 Q CB 1.569 30.334 28.738 0.045 0.000 1.403 1269 Q HN 0.502 nan 8.270 nan 0.000 0.435 1270 N N -1.689 116.861 118.700 -0.251 0.000 2.517 1270 N HA 0.195 4.935 4.740 -0.000 0.000 0.285 1270 N C 0.012 175.110 175.510 -0.686 0.000 1.528 1270 N CA -0.324 52.160 53.050 -0.944 0.000 0.892 1270 N CB 0.579 38.637 38.487 -0.715 0.000 1.356 1270 N HN 0.529 nan 8.380 nan 0.000 0.495 1271 G N -0.861 107.760 108.800 -0.299 0.000 2.569 1271 G HA2 0.472 4.432 3.960 -0.000 0.000 0.249 1271 G HA3 0.472 4.432 3.960 -0.000 0.000 0.249 1271 G C 0.878 175.732 174.900 -0.078 0.000 1.216 1271 G CA -0.203 44.837 45.100 -0.101 0.000 0.845 1271 G HN 0.340 nan 8.290 nan 0.000 0.568 1272 A N 1.512 124.331 122.820 -0.001 0.000 1.873 1272 A HA 0.321 4.641 4.320 -0.000 0.000 0.215 1272 A C 2.018 179.763 177.584 0.268 0.000 1.186 1272 A CA 1.923 54.015 52.037 0.091 0.000 0.616 1272 A CB -0.340 18.707 19.000 0.078 0.000 0.823 1272 A HN 1.536 nan 8.150 nan 0.000 0.442 1273 A N -0.811 122.154 122.820 0.243 0.000 3.249 1273 A HA 0.631 4.951 4.320 -0.000 0.000 0.297 1273 A C 0.193 177.936 177.584 0.264 0.000 1.302 1273 A CA -0.384 51.852 52.037 0.333 0.000 1.074 1273 A CB -0.686 18.441 19.000 0.211 0.000 1.132 1273 A HN 0.404 nan 8.150 nan 0.000 0.575 1274 M N 2.129 121.916 119.600 0.310 0.000 3.213 1274 M HA 0.112 4.592 4.480 -0.000 0.000 0.275 1274 M C 0.115 176.679 176.300 0.440 0.000 1.424 1274 M CA 0.059 55.564 55.300 0.341 0.000 1.561 1274 M CB -0.223 32.577 32.600 0.334 0.000 1.109 1274 M HN 0.498 nan 8.290 nan 0.000 0.552 1275 S N 1.126 117.035 115.700 0.348 0.000 2.558 1275 S HA -0.058 4.412 4.470 -0.000 0.000 0.287 1275 S C 0.746 175.591 174.600 0.408 0.000 1.321 1275 S CA -0.266 58.130 58.200 0.325 0.000 1.048 1275 S CB 0.423 63.747 63.200 0.205 0.000 0.844 1275 S HN 0.591 nan 8.310 nan 0.000 0.512 1276 F N 2.338 122.366 119.950 0.130 0.000 2.259 1276 F HA 0.243 4.770 4.527 -0.000 0.000 0.298 1276 F C 1.439 177.344 175.800 0.175 0.000 1.088 1276 F CA 1.504 59.511 58.000 0.011 0.000 1.358 1276 F CB -0.551 38.339 39.000 -0.184 0.000 1.040 1276 F HN 0.891 nan 8.300 nan 0.000 0.505 1277 G N 0.332 109.212 108.800 0.134 0.000 2.378 1277 G HA2 -0.122 3.837 3.960 -0.000 0.000 0.198 1277 G HA3 -0.122 3.837 3.960 -0.000 0.000 0.198 1277 G C -0.665 174.203 174.900 -0.053 0.000 1.223 1277 G CA -0.718 44.372 45.100 -0.017 0.000 1.088 1277 G HN 0.185 nan 8.290 nan 0.000 0.530 1278 R N 0.843 121.256 120.500 -0.144 0.000 2.278 1278 R HA 0.542 4.881 4.340 -0.000 0.000 0.322 1278 R C 0.460 176.671 176.300 -0.149 0.000 1.058 1278 R CA 0.422 56.417 56.100 -0.176 0.000 0.991 1278 R CB 0.592 30.743 30.300 -0.249 0.000 1.140 1278 R HN 0.599 nan 8.270 nan 0.000 0.518 1279 T N -1.231 113.264 114.554 -0.097 0.000 3.056 1279 T HA -0.069 4.281 4.350 -0.000 0.000 0.243 1279 T C 1.926 176.618 174.700 -0.014 0.000 0.995 1279 T CA 0.720 62.834 62.100 0.024 0.000 1.091 1279 T CB 0.127 69.124 68.868 0.215 0.000 0.990 1279 T HN 0.525 nan 8.240 nan 0.000 0.464 1280 S N 2.544 117.990 115.700 -0.423 0.000 2.414 1280 S HA -0.298 4.172 4.470 -0.000 0.000 0.238 1280 S C 2.090 176.599 174.600 -0.152 0.000 1.055 1280 S CA 2.300 60.152 58.200 -0.581 0.000 1.174 1280 S CB -1.680 60.948 63.200 -0.953 0.000 1.087 1280 S HN 0.434 nan 8.310 nan 0.000 0.428 1281 T N 1.912 116.359 114.554 -0.179 0.000 2.720 1281 T HA -0.074 4.275 4.350 -0.000 0.000 0.268 1281 T C 1.322 175.986 174.700 -0.061 0.000 1.037 1281 T CA 1.581 63.596 62.100 -0.141 0.000 1.144 1281 T CB -0.714 67.993 68.868 -0.268 0.000 0.864 1281 T HN 0.445 nan 8.240 nan 0.000 0.444 1282 F N 2.013 121.883 119.950 -0.133 0.000 2.043 1282 F HA -0.120 4.407 4.527 -0.000 0.000 0.297 1282 F C 1.927 177.781 175.800 0.090 0.000 1.121 1282 F CA 1.364 59.341 58.000 -0.038 0.000 1.199 1282 F CB -0.695 38.288 39.000 -0.028 0.000 0.968 1282 F HN 0.058 nan 8.300 nan 0.000 0.478 1283 L N 0.177 121.399 121.223 -0.002 0.000 2.191 1283 L HA -0.232 4.108 4.340 -0.000 0.000 0.212 1283 L C 2.301 179.176 176.870 0.008 0.000 1.103 1283 L CA 1.643 56.478 54.840 -0.008 0.000 0.769 1283 L CB -1.034 41.154 42.059 0.215 0.000 0.908 1283 L HN 0.319 nan 8.230 nan 0.000 0.438 1284 D N 0.474 120.870 120.400 -0.006 0.000 2.309 1284 D HA -0.134 4.506 4.640 -0.000 0.000 0.212 1284 D C 2.001 178.247 176.300 -0.090 0.000 0.968 1284 D CA 1.447 55.435 54.000 -0.020 0.000 0.882 1284 D CB 0.397 41.186 40.800 -0.019 0.000 0.918 1284 D HN 0.338 nan 8.370 nan 0.000 0.503 1285 V N -1.815 117.986 119.914 -0.189 0.000 2.951 1285 V HA -0.084 4.036 4.120 -0.000 0.000 0.255 1285 V C 1.852 177.801 176.094 -0.242 0.000 1.088 1285 V CA 0.695 62.818 62.300 -0.295 0.000 1.109 1285 V CB -1.075 30.406 31.823 -0.569 0.000 0.724 1285 V HN 0.014 nan 8.190 nan 0.000 0.471 1286 Y N 0.528 120.762 120.300 -0.110 0.000 2.314 1286 Y HA 0.244 4.794 4.550 -0.000 0.000 0.294 1286 Y C 2.307 178.189 175.900 -0.029 0.000 1.119 1286 Y CA 1.716 59.804 58.100 -0.019 0.000 1.179 1286 Y CB -0.163 38.237 38.460 -0.099 0.000 1.025 1286 Y HN 0.173 nan 8.280 nan 0.000 0.541 1287 I N -0.475 120.151 120.570 0.092 0.000 2.202 1287 I HA -0.225 3.945 4.170 -0.000 0.000 0.242 1287 I C 2.377 178.485 176.117 -0.016 0.000 1.091 1287 I CA 1.419 62.740 61.300 0.035 0.000 1.368 1287 I CB -0.205 37.812 38.000 0.027 0.000 1.058 1287 I HN 0.100 nan 8.210 nan 0.000 0.410 1288 E N 1.459 121.628 120.200 -0.053 0.000 2.058 1288 E HA -0.277 4.073 4.350 -0.000 0.000 0.194 1288 E C 2.269 178.831 176.600 -0.063 0.000 0.997 1288 E CA 1.544 57.889 56.400 -0.093 0.000 0.801 1288 E CB -0.249 29.377 29.700 -0.123 0.000 0.746 1288 E HN 0.184 nan 8.360 nan 0.000 0.450 1289 R N 0.212 120.692 120.500 -0.033 0.000 2.083 1289 R HA -0.180 4.160 4.340 -0.000 0.000 0.237 1289 R C 1.169 177.457 176.300 -0.021 0.000 1.137 1289 R CA 2.069 58.159 56.100 -0.017 0.000 0.951 1289 R CB -0.415 29.896 30.300 0.018 0.000 0.851 1289 R HN 0.169 nan 8.270 nan 0.000 0.434 1290 D N 0.235 120.633 120.400 -0.003 0.000 2.312 1290 D HA -0.042 4.598 4.640 -0.000 0.000 0.211 1290 D C 1.779 178.067 176.300 -0.020 0.000 0.964 1290 D CA 0.579 54.575 54.000 -0.007 0.000 0.877 1290 D CB 0.126 40.931 40.800 0.009 0.000 0.924 1290 D HN 0.281 nan 8.370 nan 0.000 0.515 1291 L N 0.314 121.517 121.223 -0.033 0.000 2.071 1291 L HA -0.031 4.309 4.340 -0.000 0.000 0.201 1291 L C 2.531 179.373 176.870 -0.046 0.000 1.076 1291 L CA 1.153 55.967 54.840 -0.043 0.000 0.755 1291 L CB -0.556 41.462 42.059 -0.068 0.000 0.915 1291 L HN -0.033 nan 8.230 nan 0.000 0.445 1292 K N 0.472 120.839 120.400 -0.055 0.000 2.640 1292 K HA 0.104 4.424 4.320 -0.000 0.000 0.193 1292 K C 1.255 177.832 176.600 -0.039 0.000 1.036 1292 K CA 1.314 57.570 56.287 -0.052 0.000 0.962 1292 K CB -1.017 31.448 32.500 -0.059 0.000 0.791 1292 K HN 0.535 nan 8.250 nan 0.000 0.491 1293 A N -2.197 120.603 122.820 -0.034 0.000 2.551 1293 A HA 0.531 4.851 4.320 -0.000 0.000 0.252 1293 A C 1.903 179.473 177.584 -0.023 0.000 1.199 1293 A CA 0.982 53.002 52.037 -0.028 0.000 0.972 1293 A CB 0.033 19.016 19.000 -0.029 0.000 1.153 1293 A HN 1.454 nan 8.150 nan 0.000 0.559 1294 G N -1.033 107.754 108.800 -0.022 0.000 2.184 1294 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.264 1294 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.264 1294 G C 1.274 176.166 174.900 -0.014 0.000 0.975 1294 G CA 1.541 46.631 45.100 -0.017 0.000 0.642 1294 G HN 1.319 nan 8.290 nan 0.000 0.536 1295 K N -1.025 119.366 120.400 -0.014 0.000 2.147 1295 K HA 0.612 4.931 4.320 -0.000 0.000 0.205 1295 K C 1.977 178.572 176.600 -0.009 0.000 1.049 1295 K CA 2.589 58.870 56.287 -0.010 0.000 0.936 1295 K CB -0.603 31.891 32.500 -0.010 0.000 0.722 1295 K HN 2.246 nan 8.250 nan 0.000 0.446 1296 I N -0.198 120.366 120.570 -0.010 0.000 3.108 1296 I HA 0.721 4.891 4.170 -0.000 0.000 0.312 1296 I C 0.255 176.368 176.117 -0.008 0.000 1.095 1296 I CA -0.391 60.904 61.300 -0.008 0.000 1.000 1296 I CB 1.774 39.770 38.000 -0.007 0.000 1.229 1296 I HN 0.402 nan 8.210 nan 0.000 0.454 1297 T N -1.242 113.310 114.554 -0.003 0.000 2.888 1297 T HA 0.487 4.837 4.350 -0.000 0.000 0.284 1297 T C 0.779 175.486 174.700 0.011 0.000 1.017 1297 T CA 0.409 62.510 62.100 0.002 0.000 1.022 1297 T CB 1.619 70.490 68.868 0.004 0.000 1.013 1297 T HN 1.029 nan 8.240 nan 0.000 0.465 1298 E N 1.513 121.726 120.200 0.022 0.000 2.114 1298 E HA -0.278 4.071 4.350 -0.000 0.000 0.199 1298 E C 1.940 178.572 176.600 0.053 0.000 1.008 1298 E CA 2.061 58.492 56.400 0.053 0.000 0.810 1298 E CB -0.313 29.442 29.700 0.092 0.000 0.739 1298 E HN 0.843 nan 8.360 nan 0.000 0.456 1299 Q N -0.280 119.541 119.800 0.035 0.000 2.119 1299 Q HA -0.160 4.180 4.340 -0.000 0.000 0.201 1299 Q C 2.023 178.035 176.000 0.020 0.000 0.972 1299 Q CA 1.434 57.253 55.803 0.027 0.000 0.847 1299 Q CB -0.045 28.705 28.738 0.019 0.000 0.903 1299 Q HN 0.434 nan 8.270 nan 0.000 0.433 1300 E N 0.001 120.208 120.200 0.012 0.000 2.077 1300 E HA -0.186 4.163 4.350 -0.000 0.000 0.193 1300 E C 1.858 178.453 176.600 -0.008 0.000 0.989 1300 E CA 0.846 57.244 56.400 -0.003 0.000 0.800 1300 E CB -0.075 29.621 29.700 -0.007 0.000 0.746 1300 E HN 0.452 nan 8.360 nan 0.000 0.452 1301 A N 1.321 124.145 122.820 0.007 0.000 1.834 1301 A HA -0.264 4.056 4.320 -0.000 0.000 0.216 1301 A C 2.123 179.712 177.584 0.009 0.000 1.203 1301 A CA 1.364 53.408 52.037 0.011 0.000 0.621 1301 A CB -0.700 18.320 19.000 0.033 0.000 0.841 1301 A HN 0.133 nan 8.150 nan 0.000 0.446 1302 Q N -0.531 119.287 119.800 0.030 0.000 2.182 1302 Q HA -0.293 4.047 4.340 -0.000 0.000 0.213 1302 Q C 1.977 177.976 176.000 -0.002 0.000 1.000 1302 Q CA 2.304 58.117 55.803 0.017 0.000 0.889 1302 Q CB -0.489 28.266 28.738 0.029 0.000 0.932 1302 Q HN 0.879 nan 8.270 nan 0.000 0.415 1303 E N -0.544 119.665 120.200 0.016 0.000 2.085 1303 E HA -0.183 4.167 4.350 -0.000 0.000 0.194 1303 E C 2.059 178.691 176.600 0.054 0.000 0.994 1303 E CA 1.249 57.685 56.400 0.060 0.000 0.801 1303 E CB -0.025 29.692 29.700 0.027 0.000 0.743 1303 E HN 0.382 nan 8.360 nan 0.000 0.453 1304 M N 0.060 119.625 119.600 -0.060 0.000 2.117 1304 M HA -0.157 4.322 4.480 -0.000 0.000 0.262 1304 M C 2.377 178.623 176.300 -0.091 0.000 1.065 1304 M CA 1.065 56.301 55.300 -0.105 0.000 1.114 1304 M CB -0.202 32.344 32.600 -0.090 0.000 1.361 1304 M HN 0.060 nan 8.290 nan 0.000 0.408 1305 V N 0.707 120.551 119.914 -0.116 0.000 2.343 1305 V HA -0.274 3.845 4.120 -0.000 0.000 0.247 1305 V C 1.903 177.827 176.094 -0.283 0.000 1.051 1305 V CA 1.904 64.049 62.300 -0.259 0.000 1.036 1305 V CB -0.805 30.843 31.823 -0.292 0.000 0.654 1305 V HN 0.428 nan 8.190 nan 0.000 0.451 1306 D N -0.838 119.467 120.400 -0.157 0.000 2.144 1306 D HA -0.174 4.466 4.640 -0.000 0.000 0.199 1306 D C 2.072 178.256 176.300 -0.194 0.000 0.984 1306 D CA 1.606 55.496 54.000 -0.184 0.000 0.834 1306 D CB -0.184 40.549 40.800 -0.111 0.000 0.955 1306 D HN 0.557 nan 8.370 nan 0.000 0.465 1307 H N 0.465 119.409 119.070 -0.211 0.000 2.395 1307 H HA 0.049 4.604 4.556 -0.000 0.000 0.299 1307 H C 2.036 177.183 175.328 -0.303 0.000 1.070 1307 H CA 0.278 56.208 56.048 -0.197 0.000 1.356 1307 H CB -0.198 29.482 29.762 -0.138 0.000 1.401 1307 H HN 0.042 nan 8.280 nan 0.000 0.524 1308 L N 1.014 122.104 121.223 -0.221 0.000 1.961 1308 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 1308 L C 2.323 178.915 176.870 -0.464 0.000 1.072 1308 L CA 2.160 56.761 54.840 -0.398 0.000 0.749 1308 L CB -0.705 41.160 42.059 -0.324 0.000 0.889 1308 L HN 0.367 nan 8.230 nan 0.000 0.432 1309 V N -1.867 117.776 119.914 -0.451 0.000 2.720 1309 V HA -0.315 3.805 4.120 -0.000 0.000 0.256 1309 V C 2.524 178.401 176.094 -0.362 0.000 1.082 1309 V CA 1.905 63.943 62.300 -0.438 0.000 1.101 1309 V CB -0.927 30.636 31.823 -0.435 0.000 0.693 1309 V HN 0.602 nan 8.190 nan 0.000 0.479 1310 M N -0.150 119.243 119.600 -0.345 0.000 2.065 1310 M HA -0.148 4.331 4.480 -0.000 0.000 0.259 1310 M C 2.367 178.572 176.300 -0.159 0.000 1.069 1310 M CA 2.006 57.142 55.300 -0.274 0.000 1.110 1310 M CB -0.240 32.216 32.600 -0.239 0.000 1.328 1310 M HN 0.217 nan 8.290 nan 0.000 0.405 1311 K N 0.701 120.965 120.400 -0.227 0.000 2.009 1311 K HA -0.132 4.188 4.320 -0.000 0.000 0.210 1311 K C 1.954 178.500 176.600 -0.090 0.000 1.049 1311 K CA 1.540 57.724 56.287 -0.173 0.000 0.929 1311 K CB -1.122 31.117 32.500 -0.435 0.000 0.714 1311 K HN 0.479 nan 8.250 nan 0.000 0.440 1312 L N 0.671 121.777 121.223 -0.195 0.000 2.129 1312 L HA -0.204 4.136 4.340 -0.000 0.000 0.212 1312 L C 2.443 179.265 176.870 -0.079 0.000 1.087 1312 L CA 1.278 56.022 54.840 -0.160 0.000 0.757 1312 L CB -0.378 41.451 42.059 -0.383 0.000 0.896 1312 L HN 0.208 nan 8.230 nan 0.000 0.434 1313 R N -0.644 119.806 120.500 -0.082 0.000 2.236 1313 R HA -0.019 4.321 4.340 -0.000 0.000 0.208 1313 R C 2.045 178.374 176.300 0.048 0.000 1.036 1313 R CA 0.833 56.930 56.100 -0.005 0.000 1.001 1313 R CB -0.088 30.225 30.300 0.022 0.000 0.896 1313 R HN 0.417 nan 8.270 nan 0.000 0.464 1314 M N 0.541 120.162 119.600 0.035 0.000 2.514 1314 M HA 0.028 4.508 4.480 -0.000 0.000 0.258 1314 M C 0.711 176.990 176.300 -0.035 0.000 1.119 1314 M CA 0.150 55.463 55.300 0.022 0.000 1.111 1314 M CB 0.563 33.184 32.600 0.035 0.000 1.390 1314 M HN -0.081 nan 8.290 nan 0.000 0.475 1315 V N 3.260 123.151 119.914 -0.039 0.000 2.509 1315 V HA 0.050 4.170 4.120 -0.000 0.000 0.297 1315 V C -0.138 175.794 176.094 -0.271 0.000 1.014 1315 V CA 0.266 62.473 62.300 -0.154 0.000 1.127 1315 V CB 0.028 31.808 31.823 -0.071 0.000 0.925 1315 V HN 0.268 nan 8.190 nan 0.000 0.480 1316 R N 5.065 125.318 120.500 -0.412 0.000 2.912 1316 R HA 0.664 5.004 4.340 -0.000 0.000 0.262 1316 R C -1.521 174.402 176.300 -0.630 0.000 1.057 1316 R CA -0.571 55.305 56.100 -0.374 0.000 0.981 1316 R CB 1.896 32.078 30.300 -0.196 0.000 1.201 1316 R HN 0.705 nan 8.270 nan 0.000 0.484 1317 F N 0.541 120.435 119.950 -0.093 0.000 2.574 1317 F HA 0.303 4.830 4.527 -0.000 0.000 0.313 1317 F C -0.245 175.446 175.800 -0.180 0.000 1.130 1317 F CA -1.045 56.881 58.000 -0.123 0.000 0.936 1317 F CB 1.351 40.281 39.000 -0.117 0.000 1.219 1317 F HN 0.193 nan 8.300 nan 0.000 0.445 1318 L N 5.711 126.932 121.223 -0.003 0.000 2.477 1318 L HA 0.380 4.720 4.340 -0.000 0.000 0.272 1318 L C 0.012 176.769 176.870 -0.188 0.000 1.157 1318 L CA 0.554 55.268 54.840 -0.211 0.000 0.889 1318 L CB -0.291 41.583 42.059 -0.308 0.000 1.158 1318 L HN 0.555 nan 8.230 nan 0.000 0.473 1319 R N 2.646 123.047 120.500 -0.164 0.000 3.322 1319 R HA 0.680 5.020 4.340 -0.000 0.000 0.189 1319 R C -0.395 175.962 176.300 0.095 0.000 1.510 1319 R CA 0.073 56.130 56.100 -0.072 0.000 0.827 1319 R CB 0.174 30.473 30.300 -0.002 0.000 1.856 1319 R HN 0.693 nan 8.270 nan 0.000 0.497 1320 T N -2.531 112.127 114.554 0.175 0.000 2.841 1320 T HA 0.371 4.721 4.350 -0.000 0.000 0.296 1320 T C -2.355 172.400 174.700 0.091 0.000 1.166 1320 T CA -1.617 60.575 62.100 0.154 0.000 1.007 1320 T CB 2.265 71.131 68.868 -0.004 0.000 1.253 1320 T HN 0.006 nan 8.240 nan 0.000 0.511 1321 P HA -0.208 nan 4.420 nan 0.000 0.213 1321 P C 1.517 178.792 177.300 -0.042 0.000 1.176 1321 P CA 1.959 65.026 63.100 -0.055 0.000 0.919 1321 P CB -0.098 31.508 31.700 -0.157 0.000 0.791 1322 E N -1.926 118.180 120.200 -0.157 0.000 2.393 1322 E HA -0.217 4.133 4.350 -0.000 0.000 0.201 1322 E C 0.442 176.969 176.600 -0.121 0.000 1.025 1322 E CA 1.251 57.514 56.400 -0.230 0.000 0.856 1322 E CB -0.644 28.779 29.700 -0.462 0.000 0.771 1322 E HN 0.351 nan 8.360 nan 0.000 0.526 1323 Y N 0.391 120.723 120.300 0.053 0.000 2.626 1323 Y HA 0.323 4.873 4.550 -0.000 0.000 0.248 1323 Y C -0.193 175.726 175.900 0.032 0.000 1.147 1323 Y CA -1.532 56.604 58.100 0.061 0.000 1.219 1323 Y CB 0.236 38.739 38.460 0.071 0.000 1.279 1323 Y HN -0.025 nan 8.280 nan 0.000 0.541 1324 D N 0.497 121.002 120.400 0.174 0.000 2.304 1324 D HA 0.348 4.987 4.640 -0.000 0.000 0.247 1324 D C 1.541 177.892 176.300 0.084 0.000 1.089 1324 D CA 0.950 55.019 54.000 0.115 0.000 0.910 1324 D CB 1.222 42.100 40.800 0.131 0.000 1.199 1324 D HN 0.346 nan 8.370 nan 0.000 0.426 1325 E N 2.585 122.806 120.200 0.034 0.000 2.217 1325 E HA -0.337 4.013 4.350 -0.000 0.000 0.219 1325 E C 2.408 179.027 176.600 0.032 0.000 1.070 1325 E CA 3.334 59.732 56.400 -0.004 0.000 0.889 1325 E CB -1.735 27.944 29.700 -0.034 0.000 0.768 1325 E HN 0.576 nan 8.360 nan 0.000 0.465 1326 L N -0.126 121.130 121.223 0.055 0.000 1.965 1326 L HA 0.247 4.587 4.340 -0.000 0.000 0.226 1326 L C 2.787 179.692 176.870 0.059 0.000 1.083 1326 L CA 4.226 59.103 54.840 0.061 0.000 0.790 1326 L CB -2.097 40.004 42.059 0.070 0.000 0.898 1326 L HN 1.192 nan 8.230 nan 0.000 0.439 1327 F N -1.208 118.778 119.950 0.061 0.000 2.134 1327 F HA 0.484 5.010 4.527 -0.000 0.000 0.269 1327 F C 2.536 178.398 175.800 0.104 0.000 1.175 1327 F CA 0.812 58.853 58.000 0.068 0.000 1.227 1327 F CB -0.906 38.125 39.000 0.051 0.000 1.625 1327 F HN 0.889 nan 8.300 nan 0.000 0.500 1328 S N -0.057 115.723 115.700 0.132 0.000 2.428 1328 S HA 0.114 4.583 4.470 -0.000 0.000 0.240 1328 S C 1.894 176.610 174.600 0.194 0.000 1.036 1328 S CA 1.230 59.537 58.200 0.177 0.000 1.009 1328 S CB -1.849 61.488 63.200 0.229 0.000 0.803 1328 S HN 2.247 nan 8.310 nan 0.000 0.486 1329 G N 2.049 110.978 108.800 0.214 0.000 2.147 1329 G HA2 0.282 4.242 3.960 -0.000 0.000 0.269 1329 G HA3 0.282 4.242 3.960 -0.000 0.000 0.269 1329 G C -0.675 174.250 174.900 0.041 0.000 0.912 1329 G CA -0.038 45.169 45.100 0.178 0.000 1.057 1329 G HN 0.506 nan 8.290 nan 0.000 0.364 1330 D N 3.126 123.523 120.400 -0.005 0.000 2.443 1330 D HA 0.231 4.871 4.640 -0.000 0.000 0.239 1330 D C -1.249 174.793 176.300 -0.430 0.000 1.136 1330 D CA -0.045 53.817 54.000 -0.229 0.000 0.879 1330 D CB 1.096 41.814 40.800 -0.136 0.000 1.195 1330 D HN 0.277 nan 8.370 nan 0.000 0.443 1331 P HA 0.192 nan 4.420 nan 0.000 0.279 1331 P C -0.247 176.632 177.300 -0.701 0.000 1.276 1331 P CA -0.662 62.046 63.100 -0.654 0.000 0.801 1331 P CB 0.831 32.163 31.700 -0.613 0.000 1.127 1332 I N 0.234 120.628 120.570 -0.293 0.000 2.752 1332 I HA -0.067 4.103 4.170 -0.000 0.000 0.287 1332 I C 0.776 176.842 176.117 -0.085 0.000 1.188 1332 I CA 0.441 61.721 61.300 -0.033 0.000 1.427 1332 I CB -0.696 37.337 38.000 0.054 0.000 1.365 1332 I HN 0.462 nan 8.210 nan 0.000 0.585 1333 W N 5.002 126.405 121.300 0.171 0.000 1.710 1333 W HA 0.386 5.046 4.660 -0.000 0.000 0.326 1333 W C 0.130 176.743 176.519 0.156 0.000 0.801 1333 W CA -1.075 56.351 57.345 0.135 0.000 2.715 1333 W CB 0.427 29.951 29.460 0.106 0.000 1.934 1333 W HN 0.571 nan 8.180 nan 0.000 0.609 1334 A N 1.657 124.686 122.820 0.347 0.000 2.729 1334 A HA 0.274 4.594 4.320 -0.000 0.000 0.291 1334 A C 0.665 178.379 177.584 0.217 0.000 1.574 1334 A CA 1.038 53.237 52.037 0.270 0.000 1.194 1334 A CB -0.392 18.684 19.000 0.127 0.000 1.047 1334 A HN 0.052 nan 8.150 nan 0.000 0.578 1335 T N 1.710 116.414 114.554 0.250 0.000 2.875 1335 T HA 0.484 4.834 4.350 -0.000 0.000 0.284 1335 T C -0.138 174.667 174.700 0.175 0.000 0.995 1335 T CA -0.228 61.980 62.100 0.181 0.000 1.060 1335 T CB 1.330 70.277 68.868 0.133 0.000 0.967 1335 T HN 0.711 nan 8.240 nan 0.000 0.476 1336 E N 1.595 121.868 120.200 0.123 0.000 2.199 1336 E HA 0.452 4.802 4.350 -0.000 0.000 0.265 1336 E C -1.135 175.465 176.600 0.000 0.000 0.882 1336 E CA -0.537 55.925 56.400 0.103 0.000 0.759 1336 E CB 1.114 30.895 29.700 0.135 0.000 1.148 1336 E HN 0.407 nan 8.360 nan 0.000 0.412 1337 S N 4.783 120.450 115.700 -0.055 0.000 2.475 1337 S HA 0.536 5.005 4.470 -0.000 0.000 0.281 1337 S C -0.012 174.492 174.600 -0.161 0.000 1.198 1337 S CA -0.601 57.537 58.200 -0.103 0.000 1.063 1337 S CB 0.142 63.249 63.200 -0.155 0.000 0.972 1337 S HN 0.493 nan 8.310 nan 0.000 0.486 1338 I N 1.955 122.450 120.570 -0.125 0.000 2.603 1338 I HA 0.640 4.810 4.170 -0.000 0.000 0.300 1338 I C 1.068 177.104 176.117 -0.135 0.000 1.017 1338 I CA -0.669 60.541 61.300 -0.149 0.000 1.098 1338 I CB 1.402 39.358 38.000 -0.073 0.000 1.279 1338 I HN 0.822 nan 8.210 nan 0.000 0.437 1339 G N 3.884 112.542 108.800 -0.236 0.000 2.565 1339 G HA2 0.067 4.027 3.960 -0.000 0.000 0.295 1339 G HA3 0.067 4.027 3.960 -0.000 0.000 0.295 1339 G C 0.460 175.230 174.900 -0.216 0.000 1.165 1339 G CA 0.250 45.183 45.100 -0.279 0.000 0.977 1339 G HN 1.906 nan 8.290 nan 0.000 0.546 1340 G N -2.093 106.625 108.800 -0.137 0.000 2.782 1340 G HA2 0.319 4.279 3.960 -0.000 0.000 0.228 1340 G HA3 0.319 4.279 3.960 -0.000 0.000 0.228 1340 G C -0.252 174.586 174.900 -0.102 0.000 1.372 1340 G CA 0.586 45.632 45.100 -0.090 0.000 0.862 1340 G HN 1.665 nan 8.290 nan 0.000 0.547 1341 M N 0.438 120.007 119.600 -0.052 0.000 2.535 1341 M HA 0.611 5.091 4.480 -0.000 0.000 0.314 1341 M C 0.828 177.111 176.300 -0.028 0.000 1.153 1341 M CA -0.145 55.133 55.300 -0.037 0.000 0.924 1341 M CB 1.148 33.744 32.600 -0.007 0.000 1.710 1341 M HN 1.323 nan 8.290 nan 0.000 0.451 1342 G N 1.140 109.926 108.800 -0.022 0.000 2.504 1342 G HA2 0.457 4.416 3.960 -0.000 0.000 0.288 1342 G HA3 0.457 4.416 3.960 -0.000 0.000 0.288 1342 G C 0.707 175.616 174.900 0.016 0.000 1.182 1342 G CA -0.628 44.463 45.100 -0.015 0.000 0.894 1342 G HN 0.617 nan 8.290 nan 0.000 0.521 1343 L N 0.969 122.206 121.223 0.024 0.000 2.187 1343 L HA -0.068 4.272 4.340 -0.000 0.000 0.213 1343 L C 2.448 179.335 176.870 0.028 0.000 1.100 1343 L CA 1.812 56.673 54.840 0.034 0.000 0.765 1343 L CB -0.923 41.158 42.059 0.038 0.000 0.904 1343 L HN 0.770 nan 8.230 nan 0.000 0.437 1344 D N -1.497 118.918 120.400 0.024 0.000 2.363 1344 D HA 0.044 4.684 4.640 -0.000 0.000 0.220 1344 D C 1.671 177.979 176.300 0.014 0.000 0.994 1344 D CA 0.994 55.005 54.000 0.019 0.000 0.890 1344 D CB 0.032 40.842 40.800 0.018 0.000 0.906 1344 D HN 0.336 nan 8.370 nan 0.000 0.530 1345 G N -0.041 108.769 108.800 0.017 0.000 2.284 1345 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.216 1345 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.216 1345 G C 0.431 175.337 174.900 0.009 0.000 1.009 1345 G CA -0.138 44.969 45.100 0.011 0.000 0.625 1345 G HN 0.434 nan 8.290 nan 0.000 0.501 1346 R N 1.206 121.718 120.500 0.019 0.000 2.679 1346 R HA 0.434 4.774 4.340 -0.000 0.000 0.268 1346 R C 0.601 176.929 176.300 0.047 0.000 1.044 1346 R CA 0.791 56.909 56.100 0.030 0.000 1.105 1346 R CB 0.411 30.742 30.300 0.053 0.000 0.989 1346 R HN 0.220 nan 8.270 nan 0.000 0.447 1347 T N 1.112 115.687 114.554 0.036 0.000 2.904 1347 T HA 0.208 4.558 4.350 -0.000 0.000 0.290 1347 T C 1.033 175.766 174.700 0.055 0.000 1.018 1347 T CA -0.441 61.660 62.100 0.003 0.000 1.075 1347 T CB 0.511 69.356 68.868 -0.039 0.000 0.986 1347 T HN 0.424 nan 8.240 nan 0.000 0.523 1348 L N 3.650 124.824 121.223 -0.082 0.000 2.667 1348 L HA 0.315 4.655 4.340 -0.000 0.000 0.232 1348 L C 0.086 176.833 176.870 -0.205 0.000 1.138 1348 L CA -0.247 54.465 54.840 -0.213 0.000 0.921 1348 L CB 0.680 42.535 42.059 -0.339 0.000 1.180 1348 L HN 0.393 nan 8.230 nan 0.000 0.487 1349 V N 0.515 120.312 119.914 -0.196 0.000 2.572 1349 V HA 0.210 4.330 4.120 -0.000 0.000 0.291 1349 V C 0.673 176.729 176.094 -0.064 0.000 1.039 1349 V CA 0.067 62.166 62.300 -0.335 0.000 1.055 1349 V CB 0.897 32.380 31.823 -0.567 0.000 0.969 1349 V HN 0.428 nan 8.190 nan 0.000 0.482 1350 T N 1.318 115.855 114.554 -0.028 0.000 2.831 1350 T HA 0.453 4.803 4.350 -0.000 0.000 0.287 1350 T C 0.680 175.485 174.700 0.176 0.000 1.070 1350 T CA -0.964 61.200 62.100 0.106 0.000 1.010 1350 T CB 1.754 70.642 68.868 0.032 0.000 1.264 1350 T HN 0.420 nan 8.240 nan 0.000 0.532 1351 K N 0.199 120.535 120.400 -0.107 0.000 2.152 1351 K HA -0.127 4.192 4.320 -0.000 0.000 0.206 1351 K C 1.891 178.626 176.600 0.226 0.000 1.048 1351 K CA 1.414 57.530 56.287 -0.284 0.000 0.933 1351 K CB -0.329 31.620 32.500 -0.917 0.000 0.721 1351 K HN 0.430 nan 8.250 nan 0.000 0.447 1352 N N 0.650 119.441 118.700 0.152 0.000 2.244 1352 N HA -0.084 4.656 4.740 -0.000 0.000 0.183 1352 N C 1.422 177.148 175.510 0.359 0.000 1.016 1352 N CA 1.092 54.308 53.050 0.276 0.000 0.866 1352 N CB 0.004 38.614 38.487 0.204 0.000 0.980 1352 N HN 0.015 nan 8.380 nan 0.000 0.430 1353 S N -0.134 115.683 115.700 0.195 0.000 2.359 1353 S HA -0.135 4.335 4.470 -0.000 0.000 0.223 1353 S C 1.714 176.518 174.600 0.340 0.000 1.039 1353 S CA 1.166 59.429 58.200 0.104 0.000 1.042 1353 S CB -0.614 62.458 63.200 -0.214 0.000 0.915 1353 S HN 0.341 nan 8.310 nan 0.000 0.439 1354 F N 1.877 122.069 119.950 0.403 0.000 2.134 1354 F HA -0.076 4.451 4.527 -0.000 0.000 0.299 1354 F C 2.606 178.608 175.800 0.338 0.000 1.097 1354 F CA 1.101 59.346 58.000 0.409 0.000 1.264 1354 F CB -0.374 38.775 39.000 0.248 0.000 1.001 1354 F HN 0.042 nan 8.300 nan 0.000 0.479 1355 R N -0.654 120.160 120.500 0.523 0.000 2.096 1355 R HA -0.209 4.131 4.340 -0.000 0.000 0.240 1355 R C 2.207 178.665 176.300 0.262 0.000 1.139 1355 R CA 1.887 58.190 56.100 0.338 0.000 0.952 1355 R CB -1.059 29.427 30.300 0.309 0.000 0.854 1355 R HN 0.236 nan 8.270 nan 0.000 0.436 1356 F N 1.149 121.183 119.950 0.140 0.000 2.102 1356 F HA -0.139 4.388 4.527 -0.000 0.000 0.298 1356 F C 2.384 178.213 175.800 0.049 0.000 1.105 1356 F CA 1.256 59.294 58.000 0.063 0.000 1.239 1356 F CB -0.522 38.508 39.000 0.051 0.000 0.991 1356 F HN -0.067 nan 8.300 nan 0.000 0.474 1357 L N -0.436 120.974 121.223 0.312 0.000 2.083 1357 L HA -0.273 4.067 4.340 -0.000 0.000 0.209 1357 L C 2.252 179.163 176.870 0.069 0.000 1.083 1357 L CA 1.589 56.525 54.840 0.161 0.000 0.752 1357 L CB -0.909 41.300 42.059 0.250 0.000 0.899 1357 L HN 0.295 nan 8.230 nan 0.000 0.433 1358 N N 0.094 118.933 118.700 0.232 0.000 2.272 1358 N HA -0.213 4.527 4.740 -0.000 0.000 0.185 1358 N C 1.795 177.327 175.510 0.037 0.000 1.014 1358 N CA 1.726 54.903 53.050 0.211 0.000 0.870 1358 N CB 0.115 38.744 38.487 0.236 0.000 0.975 1358 N HN 0.451 nan 8.380 nan 0.000 0.433 1359 T N -1.034 113.488 114.554 -0.055 0.000 2.977 1359 T HA -0.080 4.270 4.350 -0.000 0.000 0.271 1359 T C 1.826 176.412 174.700 -0.191 0.000 1.105 1359 T CA 0.632 62.638 62.100 -0.156 0.000 1.116 1359 T CB -0.346 68.375 68.868 -0.246 0.000 0.878 1359 T HN 0.205 nan 8.240 nan 0.000 0.509 1360 L N -1.302 119.792 121.223 -0.216 0.000 2.552 1360 L HA 0.139 4.479 4.340 -0.000 0.000 0.227 1360 L C 1.952 178.700 176.870 -0.204 0.000 1.146 1360 L CA 0.572 55.254 54.840 -0.263 0.000 0.858 1360 L CB -0.314 41.533 42.059 -0.352 0.000 0.969 1360 L HN 0.236 nan 8.230 nan 0.000 0.451 1361 Y N -0.778 119.492 120.300 -0.049 0.000 2.447 1361 Y HA -0.074 4.476 4.550 -0.000 0.000 0.286 1361 Y C 2.955 178.827 175.900 -0.047 0.000 1.153 1361 Y CA 0.873 58.957 58.100 -0.026 0.000 1.241 1361 Y CB -1.042 37.428 38.460 0.016 0.000 1.284 1361 Y HN 0.149 nan 8.280 nan 0.000 0.520 1362 T N -0.905 113.718 114.554 0.116 0.000 2.665 1362 T HA -0.249 4.101 4.350 -0.000 0.000 0.268 1362 T C 1.433 176.082 174.700 -0.084 0.000 1.035 1362 T CA 2.038 64.142 62.100 0.008 0.000 1.151 1362 T CB -0.462 68.386 68.868 -0.034 0.000 0.862 1362 T HN 0.282 nan 8.240 nan 0.000 0.438 1363 M N 0.872 120.336 119.600 -0.227 0.000 2.405 1363 M HA 0.462 4.941 4.480 -0.000 0.000 0.292 1363 M C 1.084 177.184 176.300 -0.334 0.000 1.111 1363 M CA 0.041 55.038 55.300 -0.505 0.000 0.979 1363 M CB 0.829 32.818 32.600 -1.018 0.000 1.426 1363 M HN 0.650 nan 8.290 nan 0.000 0.509 1364 G N 2.287 111.030 108.800 -0.095 0.000 2.728 1364 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.294 1364 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.294 1364 G C -3.209 171.666 174.900 -0.041 0.000 1.342 1364 G CA -1.191 43.920 45.100 0.018 0.000 0.866 1364 G HN 0.161 nan 8.290 nan 0.000 0.534 1365 P HA 0.490 nan 4.420 nan 0.000 0.287 1365 P C -0.598 176.707 177.300 0.008 0.000 1.281 1365 P CA 0.115 63.203 63.100 -0.021 0.000 0.781 1365 P CB 1.749 33.453 31.700 0.006 0.000 0.903 1366 S N 3.634 119.317 115.700 -0.027 0.000 2.575 1366 S HA 0.557 5.026 4.470 -0.000 0.000 0.278 1366 S C -2.112 172.490 174.600 0.002 0.000 1.139 1366 S CA -1.475 56.729 58.200 0.005 0.000 0.954 1366 S CB 1.429 64.613 63.200 -0.026 0.000 1.054 1366 S HN 0.129 nan 8.310 nan 0.000 0.483 1367 P HA 0.083 nan 4.420 nan 0.000 0.219 1367 P C 1.300 178.635 177.300 0.058 0.000 1.154 1367 P CA 0.313 63.442 63.100 0.049 0.000 0.826 1367 P CB 0.226 31.963 31.700 0.062 0.000 0.795 1368 E N 0.093 120.318 120.200 0.042 0.000 2.038 1368 E HA -0.123 4.227 4.350 -0.000 0.000 0.195 1368 E C -1.113 175.511 176.600 0.040 0.000 1.000 1368 E CA 1.423 57.848 56.400 0.040 0.000 0.803 1368 E CB -2.153 27.560 29.700 0.022 0.000 0.750 1368 E HN 0.181 nan 8.360 nan 0.000 0.448 1369 P HA 0.043 nan 4.420 nan 0.000 0.235 1369 P C -0.976 176.338 177.300 0.024 0.000 1.765 1369 P CA -0.141 62.940 63.100 -0.032 0.000 1.034 1369 P CB -0.878 30.752 31.700 -0.116 0.000 1.984 1370 N N 2.483 121.239 118.700 0.093 0.000 2.292 1370 N HA -0.127 4.613 4.740 -0.000 0.000 0.284 1370 N C -0.391 175.165 175.510 0.076 0.000 1.387 1370 N CA 0.907 54.031 53.050 0.124 0.000 0.961 1370 N CB -0.371 38.273 38.487 0.261 0.000 1.356 1370 N HN 0.220 nan 8.380 nan 0.000 0.491 1371 M N 2.708 122.326 119.600 0.030 0.000 2.055 1371 M HA 0.144 4.624 4.480 -0.000 0.000 0.347 1371 M C 0.195 176.460 176.300 -0.059 0.000 1.123 1371 M CA -0.623 54.681 55.300 0.006 0.000 1.035 1371 M CB 1.104 33.716 32.600 0.021 0.000 1.484 1371 M HN 0.507 nan 8.290 nan 0.000 0.428 1372 T N 1.908 116.430 114.554 -0.053 0.000 2.829 1372 T HA 0.675 5.025 4.350 -0.000 0.000 0.282 1372 T C -0.232 174.410 174.700 -0.096 0.000 0.990 1372 T CA -0.766 61.274 62.100 -0.100 0.000 1.028 1372 T CB 1.021 69.871 68.868 -0.031 0.000 0.951 1372 T HN 0.518 nan 8.240 nan 0.000 0.460 1373 I N 3.437 123.902 120.570 -0.175 0.000 2.365 1373 I HA 0.242 4.412 4.170 -0.000 0.000 0.291 1373 I C 0.284 176.503 176.117 0.171 0.000 1.004 1373 I CA -0.930 60.371 61.300 0.001 0.000 1.311 1373 I CB 1.254 39.251 38.000 -0.005 0.000 1.401 1373 I HN 0.522 nan 8.210 nan 0.000 0.491 1374 L N 6.823 128.135 121.223 0.148 0.000 2.387 1374 L HA 0.128 4.468 4.340 -0.000 0.000 0.267 1374 L C -0.061 176.962 176.870 0.255 0.000 1.197 1374 L CA -0.099 54.847 54.840 0.176 0.000 1.070 1374 L CB -0.215 41.863 42.059 0.031 0.000 1.349 1374 L HN 0.591 nan 8.230 nan 0.000 0.422 1375 W N 3.520 124.936 121.300 0.192 0.000 2.216 1375 W HA 0.219 4.878 4.660 -0.000 0.000 0.326 1375 W C -0.013 176.596 176.519 0.151 0.000 1.319 1375 W CA 0.323 57.794 57.345 0.210 0.000 1.213 1375 W CB 1.499 31.111 29.460 0.253 0.000 1.171 1375 W HN 0.358 nan 8.180 nan 0.000 0.557 1376 S N 3.329 118.898 115.700 -0.220 0.000 2.564 1376 S HA 0.133 4.603 4.470 -0.000 0.000 0.274 1376 S C 0.462 174.934 174.600 -0.213 0.000 1.124 1376 S CA -0.479 57.687 58.200 -0.057 0.000 0.869 1376 S CB 1.734 64.913 63.200 -0.034 0.000 1.105 1376 S HN 0.507 nan 8.310 nan 0.000 0.472 1377 E N 2.022 122.241 120.200 0.031 0.000 2.265 1377 E HA 0.035 4.385 4.350 -0.000 0.000 0.196 1377 E C 0.685 177.269 176.600 -0.026 0.000 0.996 1377 E CA 1.378 57.817 56.400 0.065 0.000 0.832 1377 E CB 0.058 29.835 29.700 0.128 0.000 0.756 1377 E HN 0.577 nan 8.360 nan 0.000 0.491 1378 K N -0.070 120.300 120.400 -0.050 0.000 2.520 1378 K HA 0.168 4.488 4.320 -0.000 0.000 0.205 1378 K C -0.224 176.322 176.600 -0.090 0.000 1.035 1378 K CA -0.195 56.062 56.287 -0.049 0.000 1.188 1378 K CB 0.133 32.623 32.500 -0.018 0.000 0.894 1378 K HN 0.113 nan 8.250 nan 0.000 0.497 1379 L N 1.642 122.761 121.223 -0.174 0.000 2.418 1379 L HA 0.234 4.573 4.340 -0.000 0.000 0.265 1379 L C -2.167 174.665 176.870 -0.064 0.000 1.143 1379 L CA -2.299 52.451 54.840 -0.149 0.000 0.809 1379 L CB 0.199 42.111 42.059 -0.244 0.000 1.124 1379 L HN -0.176 nan 8.230 nan 0.000 0.456 1380 P HA -0.006 nan 4.420 nan 0.000 0.262 1380 P C 0.736 178.093 177.300 0.095 0.000 1.182 1380 P CA 0.143 63.267 63.100 0.040 0.000 0.761 1380 P CB 0.497 32.224 31.700 0.044 0.000 0.795 1381 L N 2.544 123.806 121.223 0.065 0.000 2.013 1381 L HA -0.313 4.027 4.340 -0.000 0.000 0.212 1381 L C 1.731 178.688 176.870 0.145 0.000 1.073 1381 L CA 1.979 56.870 54.840 0.086 0.000 0.753 1381 L CB -0.839 41.261 42.059 0.068 0.000 0.890 1381 L HN 0.417 nan 8.230 nan 0.000 0.432 1382 N N -0.026 118.777 118.700 0.172 0.000 2.094 1382 N HA -0.263 4.477 4.740 -0.000 0.000 0.191 1382 N C 1.597 177.361 175.510 0.423 0.000 1.023 1382 N CA 1.487 54.691 53.050 0.256 0.000 0.857 1382 N CB -0.660 37.949 38.487 0.203 0.000 1.013 1382 N HN 0.206 nan 8.380 nan 0.000 0.426 1383 F N 1.935 122.046 119.950 0.268 0.000 2.113 1383 F HA -0.039 4.488 4.527 -0.000 0.000 0.297 1383 F C 1.818 177.690 175.800 0.120 0.000 1.103 1383 F CA 1.329 59.393 58.000 0.106 0.000 1.248 1383 F CB -0.162 38.785 39.000 -0.089 0.000 0.999 1383 F HN -0.111 nan 8.300 nan 0.000 0.475 1384 K N 0.536 120.928 120.400 -0.013 0.000 2.020 1384 K HA -0.244 4.076 4.320 -0.000 0.000 0.212 1384 K C 2.045 178.717 176.600 0.121 0.000 1.050 1384 K CA 2.127 58.407 56.287 -0.013 0.000 0.929 1384 K CB -0.479 32.051 32.500 0.050 0.000 0.714 1384 K HN 0.320 nan 8.250 nan 0.000 0.443 1385 K N 0.207 120.698 120.400 0.151 0.000 2.032 1385 K HA -0.171 4.149 4.320 -0.000 0.000 0.209 1385 K C 2.117 178.826 176.600 0.182 0.000 1.048 1385 K CA 1.523 57.911 56.287 0.168 0.000 0.927 1385 K CB -0.368 32.243 32.500 0.185 0.000 0.712 1385 K HN 0.015 nan 8.250 nan 0.000 0.441 1386 F N 1.778 121.763 119.950 0.058 0.000 2.065 1386 F HA -0.278 4.249 4.527 -0.000 0.000 0.298 1386 F C 2.327 178.105 175.800 -0.036 0.000 1.112 1386 F CA 1.482 59.525 58.000 0.071 0.000 1.212 1386 F CB -0.801 38.309 39.000 0.184 0.000 0.975 1386 F HN 0.042 nan 8.300 nan 0.000 0.476 1387 A N 0.379 123.081 122.820 -0.196 0.000 1.884 1387 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 1387 A C 2.474 180.031 177.584 -0.044 0.000 1.197 1387 A CA 2.719 54.648 52.037 -0.180 0.000 0.637 1387 A CB -1.733 17.245 19.000 -0.036 0.000 0.827 1387 A HN 0.564 nan 8.150 nan 0.000 0.450 1388 A N -0.733 122.102 122.820 0.025 0.000 1.892 1388 A HA -0.092 4.228 4.320 -0.000 0.000 0.218 1388 A C 2.405 179.969 177.584 -0.033 0.000 1.188 1388 A CA 3.560 55.598 52.037 0.001 0.000 0.631 1388 A CB -1.113 17.903 19.000 0.028 0.000 0.822 1388 A HN 0.860 nan 8.150 nan 0.000 0.447 1389 K N -0.756 119.614 120.400 -0.049 0.000 1.985 1389 K HA 0.000 4.320 4.320 -0.000 0.000 0.210 1389 K C 2.082 178.617 176.600 -0.108 0.000 1.047 1389 K CA 1.753 58.011 56.287 -0.048 0.000 0.932 1389 K CB -1.660 30.836 32.500 -0.007 0.000 0.716 1389 K HN 0.396 nan 8.250 nan 0.000 0.439 1390 V N 1.715 121.443 119.914 -0.311 0.000 2.324 1390 V HA -0.293 3.827 4.120 -0.000 0.000 0.250 1390 V C 2.711 178.685 176.094 -0.199 0.000 1.060 1390 V CA 2.473 64.542 62.300 -0.385 0.000 1.042 1390 V CB -0.688 30.769 31.823 -0.610 0.000 0.650 1390 V HN 0.614 nan 8.190 nan 0.000 0.450 1391 S N -0.247 115.387 115.700 -0.110 0.000 2.368 1391 S HA -0.120 4.350 4.470 -0.000 0.000 0.225 1391 S C 1.928 176.514 174.600 -0.023 0.000 1.030 1391 S CA 1.403 59.587 58.200 -0.026 0.000 0.999 1391 S CB -0.293 62.942 63.200 0.058 0.000 0.844 1391 S HN 0.396 nan 8.310 nan 0.000 0.459 1392 I N 2.170 122.725 120.570 -0.024 0.000 2.286 1392 I HA -0.136 4.034 4.170 -0.000 0.000 0.248 1392 I C 1.678 177.801 176.117 0.010 0.000 1.115 1392 I CA 1.428 62.724 61.300 -0.007 0.000 1.392 1392 I CB -1.235 36.764 38.000 -0.002 0.000 1.065 1392 I HN 0.222 nan 8.210 nan 0.000 0.418 1393 D N -0.236 120.177 120.400 0.022 0.000 2.213 1393 D HA -0.063 4.577 4.640 -0.000 0.000 0.205 1393 D C 2.073 178.401 176.300 0.047 0.000 0.961 1393 D CA 1.707 55.749 54.000 0.071 0.000 0.853 1393 D CB 0.142 41.063 40.800 0.202 0.000 0.967 1393 D HN 0.411 nan 8.370 nan 0.000 0.496 1394 T N -3.698 110.844 114.554 -0.020 0.000 2.955 1394 T HA 0.092 4.442 4.350 -0.000 0.000 0.251 1394 T C 0.878 175.564 174.700 -0.025 0.000 1.002 1394 T CA 0.628 62.705 62.100 -0.037 0.000 0.970 1394 T CB 0.245 69.036 68.868 -0.128 0.000 1.091 1394 T HN -0.057 nan 8.240 nan 0.000 0.495 1395 S N 0.431 116.117 115.700 -0.023 0.000 3.631 1395 S HA -0.193 4.276 4.470 -0.000 0.000 0.366 1395 S C 0.690 175.291 174.600 0.002 0.000 0.993 1395 S CA 0.808 59.008 58.200 0.001 0.000 1.167 1395 S CB -1.900 61.308 63.200 0.013 0.000 0.909 1395 S HN 0.685 nan 8.310 nan 0.000 0.478 1396 S N -0.105 115.579 115.700 -0.026 0.000 2.666 1396 S HA 0.393 4.863 4.470 -0.000 0.000 0.239 1396 S C 0.423 174.999 174.600 -0.040 0.000 1.031 1396 S CA -0.426 57.758 58.200 -0.026 0.000 1.015 1396 S CB 0.317 63.486 63.200 -0.052 0.000 0.981 1396 S HN 0.580 nan 8.310 nan 0.000 0.547 1397 L N 2.149 123.335 121.223 -0.060 0.000 2.379 1397 L HA 0.481 4.821 4.340 -0.000 0.000 0.269 1397 L C 0.074 176.858 176.870 -0.143 0.000 1.084 1397 L CA -0.454 54.293 54.840 -0.154 0.000 0.802 1397 L CB 0.589 42.486 42.059 -0.270 0.000 1.175 1397 L HN 0.101 nan 8.230 nan 0.000 0.448 1398 Q N 1.212 120.850 119.800 -0.270 0.000 2.387 1398 Q HA 0.541 4.881 4.340 -0.000 0.000 0.273 1398 Q C -1.578 174.213 176.000 -0.348 0.000 1.089 1398 Q CA -0.624 55.100 55.803 -0.132 0.000 0.824 1398 Q CB 2.820 31.536 28.738 -0.037 0.000 1.367 1398 Q HN 0.352 nan 8.270 nan 0.000 0.443 1399 Y N -0.401 119.914 120.300 0.026 0.000 2.581 1399 Y HA 0.513 5.063 4.550 -0.000 0.000 0.345 1399 Y C 0.059 175.997 175.900 0.063 0.000 1.036 1399 Y CA -0.799 57.336 58.100 0.057 0.000 1.042 1399 Y CB 2.082 40.529 38.460 -0.021 0.000 1.289 1399 Y HN 0.365 nan 8.280 nan 0.000 0.471 1400 E N 0.739 121.110 120.200 0.284 0.000 2.390 1400 E HA 0.150 4.500 4.350 -0.000 0.000 0.277 1400 E C -1.624 175.133 176.600 0.262 0.000 0.939 1400 E CA -0.960 55.566 56.400 0.210 0.000 0.769 1400 E CB 2.478 32.282 29.700 0.174 0.000 1.251 1400 E HN 0.525 nan 8.360 nan 0.000 0.450 1401 N N 2.149 120.970 118.700 0.203 0.000 2.402 1401 N HA -0.020 4.719 4.740 -0.000 0.000 0.252 1401 N C 0.335 175.974 175.510 0.216 0.000 1.118 1401 N CA 0.213 53.399 53.050 0.226 0.000 0.945 1401 N CB 0.744 39.325 38.487 0.156 0.000 1.147 1401 N HN 0.413 nan 8.380 nan 0.000 0.495 1402 D N 2.466 123.023 120.400 0.261 0.000 2.224 1402 D HA -0.099 4.541 4.640 -0.000 0.000 0.205 1402 D C 0.492 176.900 176.300 0.180 0.000 0.965 1402 D CA 1.023 55.173 54.000 0.249 0.000 0.852 1402 D CB 0.279 41.212 40.800 0.223 0.000 0.947 1402 D HN 0.477 nan 8.370 nan 0.000 0.494 1403 D N -0.468 120.031 120.400 0.165 0.000 2.350 1403 D HA -0.065 4.575 4.640 -0.000 0.000 0.216 1403 D C 1.818 178.180 176.300 0.103 0.000 0.968 1403 D CA 0.391 54.467 54.000 0.128 0.000 0.894 1403 D CB 0.373 41.252 40.800 0.131 0.000 0.909 1403 D HN 0.373 nan 8.370 nan 0.000 0.520 1404 L N -0.863 120.419 121.223 0.099 0.000 2.362 1404 L HA 0.120 4.460 4.340 -0.000 0.000 0.204 1404 L C 2.361 179.265 176.870 0.056 0.000 1.060 1404 L CA 0.150 55.031 54.840 0.068 0.000 0.827 1404 L CB 0.008 42.104 42.059 0.062 0.000 1.027 1404 L HN -0.103 nan 8.230 nan 0.000 0.474 1405 M N -0.572 119.052 119.600 0.040 0.000 2.098 1405 M HA -0.120 4.359 4.480 -0.000 0.000 0.262 1405 M C 2.373 178.670 176.300 -0.005 0.000 1.072 1405 M CA 1.447 56.723 55.300 -0.040 0.000 1.133 1405 M CB -0.469 31.888 32.600 -0.405 0.000 1.344 1405 M HN 0.089 nan 8.290 nan 0.000 0.414 1406 R N 0.990 121.519 120.500 0.049 0.000 2.143 1406 R HA -0.192 4.148 4.340 -0.000 0.000 0.239 1406 R C -0.749 175.636 176.300 0.140 0.000 1.126 1406 R CA 2.584 58.788 56.100 0.173 0.000 0.927 1406 R CB -1.666 28.751 30.300 0.194 0.000 0.860 1406 R HN 0.205 nan 8.270 nan 0.000 0.433 1407 P HA -0.187 nan 4.420 nan 0.000 0.218 1407 P C 0.683 178.021 177.300 0.063 0.000 1.149 1407 P CA 1.494 64.641 63.100 0.079 0.000 0.817 1407 P CB -0.285 31.453 31.700 0.063 0.000 0.785 1408 D N -0.428 120.008 120.400 0.060 0.000 2.084 1408 D HA -0.149 4.491 4.640 -0.000 0.000 0.194 1408 D C 1.523 177.773 176.300 -0.083 0.000 0.990 1408 D CA 1.167 55.149 54.000 -0.031 0.000 0.826 1408 D CB -0.290 40.475 40.800 -0.059 0.000 0.971 1408 D HN 0.105 nan 8.370 nan 0.000 0.453 1409 F N 0.197 120.093 119.950 -0.091 0.000 2.743 1409 F HA 0.091 4.617 4.527 -0.000 0.000 0.297 1409 F C 1.105 176.896 175.800 -0.015 0.000 1.131 1409 F CA 0.364 58.328 58.000 -0.060 0.000 1.426 1409 F CB -0.611 38.342 39.000 -0.078 0.000 1.116 1409 F HN -0.050 nan 8.300 nan 0.000 0.583 1410 N N 1.454 120.261 118.700 0.178 0.000 2.735 1410 N HA -0.274 4.466 4.740 -0.000 0.000 0.248 1410 N C -0.749 174.841 175.510 0.133 0.000 1.083 1410 N CA 0.601 53.721 53.050 0.117 0.000 0.703 1410 N CB -1.179 37.351 38.487 0.072 0.000 1.005 1410 N HN 0.389 nan 8.380 nan 0.000 0.550 1411 N N 0.036 118.844 118.700 0.180 0.000 2.324 1411 N HA 0.209 4.949 4.740 -0.000 0.000 0.285 1411 N C -1.099 174.518 175.510 0.177 0.000 1.076 1411 N CA -0.137 53.004 53.050 0.152 0.000 0.864 1411 N CB 1.103 39.691 38.487 0.167 0.000 1.632 1411 N HN 0.266 nan 8.380 nan 0.000 0.478 1412 D N 0.261 120.709 120.400 0.081 0.000 2.463 1412 D HA 0.159 4.799 4.640 -0.000 0.000 0.224 1412 D C -0.337 175.880 176.300 -0.137 0.000 1.174 1412 D CA -0.068 53.939 54.000 0.012 0.000 0.829 1412 D CB 0.329 41.112 40.800 -0.028 0.000 0.993 1412 D HN 0.350 nan 8.370 nan 0.000 0.497 1413 D N 0.163 120.497 120.400 -0.109 0.000 2.895 1413 D HA 0.099 4.739 4.640 -0.000 0.000 0.350 1413 D C -0.957 175.216 176.300 -0.211 0.000 1.389 1413 D CA -0.708 53.170 54.000 -0.203 0.000 0.812 1413 D CB -0.137 40.583 40.800 -0.133 0.000 1.164 1413 D HN 0.295 nan 8.370 nan 0.000 0.455 1414 Y N -0.733 119.420 120.300 -0.246 0.000 2.432 1414 Y HA 0.846 5.396 4.550 -0.000 0.000 0.322 1414 Y C -0.406 175.340 175.900 -0.255 0.000 1.246 1414 Y CA -1.533 56.365 58.100 -0.337 0.000 1.268 1414 Y CB 0.953 39.017 38.460 -0.660 0.000 1.276 1414 Y HN -0.032 nan 8.280 nan 0.000 0.499 1415 A N 2.345 125.116 122.820 -0.083 0.000 2.469 1415 A HA 0.737 5.057 4.320 -0.000 0.000 0.299 1415 A C -1.350 176.262 177.584 0.047 0.000 1.098 1415 A CA -0.965 51.021 52.037 -0.084 0.000 0.737 1415 A CB 1.094 20.041 19.000 -0.088 0.000 1.312 1415 A HN 0.633 nan 8.150 nan 0.000 0.414 1416 I N 0.753 121.346 120.570 0.038 0.000 2.440 1416 I HA 0.574 4.743 4.170 -0.000 0.000 0.294 1416 I C 0.564 176.702 176.117 0.035 0.000 0.995 1416 I CA -0.159 61.173 61.300 0.053 0.000 1.306 1416 I CB 1.027 39.050 38.000 0.039 0.000 1.407 1416 I HN 0.744 nan 8.210 nan 0.000 0.501 1417 A N 5.298 128.130 122.820 0.020 0.000 2.353 1417 A HA 0.428 4.748 4.320 -0.000 0.000 0.299 1417 A C -0.609 176.925 177.584 -0.084 0.000 1.089 1417 A CA -0.414 51.629 52.037 0.010 0.000 0.736 1417 A CB 0.789 19.824 19.000 0.058 0.000 1.195 1417 A HN 0.748 nan 8.150 nan 0.000 0.447 1418 C N 1.290 120.444 119.300 -0.243 0.000 2.590 1418 C HA 0.230 4.690 4.460 -0.000 0.000 0.411 1418 C C 1.223 176.001 174.990 -0.353 0.000 1.420 1418 C CA 0.686 59.384 59.018 -0.534 0.000 1.643 1418 C CB -1.854 25.000 27.740 -1.478 0.000 2.528 1418 C HN 1.128 nan 8.230 nan 0.000 0.606 1419 C N 3.112 122.271 119.300 -0.235 0.000 4.300 1419 C HA -0.029 4.430 4.460 -0.000 0.000 0.304 1419 C C 0.122 175.173 174.990 0.102 0.000 1.367 1419 C CA 0.947 59.942 59.018 -0.039 0.000 2.032 1419 C CB -2.980 24.759 27.740 -0.002 0.000 1.285 1419 C HN 0.970 nan 8.230 nan 0.000 0.737 1420 V N -0.156 119.803 119.914 0.076 0.000 3.236 1420 V HA 0.637 4.757 4.120 -0.000 0.000 0.287 1420 V C 0.295 176.448 176.094 0.097 0.000 1.491 1420 V CA 0.088 62.466 62.300 0.131 0.000 1.037 1420 V CB 2.217 34.153 31.823 0.188 0.000 1.160 1420 V HN 0.422 nan 8.190 nan 0.000 0.453 1421 S N 4.402 120.168 115.700 0.110 0.000 2.576 1421 S HA 0.347 4.817 4.470 -0.000 0.000 0.272 1421 S C -2.451 172.245 174.600 0.160 0.000 1.352 1421 S CA -0.217 58.061 58.200 0.130 0.000 1.021 1421 S CB 0.661 63.933 63.200 0.121 0.000 0.887 1421 S HN 0.742 nan 8.310 nan 0.000 0.542 1422 P HA 0.318 nan 4.420 nan 0.000 0.273 1422 P C -0.808 176.580 177.300 0.146 0.000 1.250 1422 P CA -0.099 63.070 63.100 0.115 0.000 0.793 1422 P CB 0.411 32.061 31.700 -0.084 0.000 1.011 1423 M N 0.335 119.942 119.600 0.012 0.000 2.378 1423 M HA 0.374 4.854 4.480 -0.000 0.000 0.289 1423 M C -0.586 175.693 176.300 -0.035 0.000 1.136 1423 M CA -0.497 54.838 55.300 0.058 0.000 0.917 1423 M CB 1.957 34.604 32.600 0.079 0.000 1.669 1423 M HN 0.115 nan 8.290 nan 0.000 0.461 1424 I N 2.928 123.503 120.570 0.009 0.000 2.578 1424 I HA 0.045 4.215 4.170 -0.000 0.000 0.286 1424 I C 0.110 176.199 176.117 -0.046 0.000 1.126 1424 I CA -0.389 60.903 61.300 -0.013 0.000 1.380 1424 I CB 0.316 38.355 38.000 0.066 0.000 1.408 1424 I HN 0.390 nan 8.210 nan 0.000 0.532 1425 V N 7.475 127.325 119.914 -0.106 0.000 2.644 1425 V HA -0.084 4.036 4.120 -0.000 0.000 0.303 1425 V C 1.465 177.432 176.094 -0.212 0.000 1.058 1425 V CA 1.611 63.805 62.300 -0.177 0.000 1.228 1425 V CB -0.129 31.563 31.823 -0.217 0.000 0.861 1425 V HN 1.192 nan 8.190 nan 0.000 0.484 1426 G N 4.363 112.952 108.800 -0.351 0.000 2.184 1426 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.264 1426 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.264 1426 G C 0.822 175.646 174.900 -0.127 0.000 0.975 1426 G CA 0.462 45.313 45.100 -0.414 0.000 0.642 1426 G HN 0.635 nan 8.290 nan 0.000 0.536 1427 K N -0.261 120.118 120.400 -0.034 0.000 2.391 1427 K HA 0.226 4.546 4.320 -0.000 0.000 0.197 1427 K C 0.997 177.643 176.600 0.077 0.000 1.087 1427 K CA 0.454 56.764 56.287 0.038 0.000 1.012 1427 K CB 0.743 33.260 32.500 0.027 0.000 0.925 1427 K HN 0.587 nan 8.250 nan 0.000 0.547 1428 Q N 0.424 120.285 119.800 0.102 0.000 2.377 1428 Q HA 0.508 4.848 4.340 -0.000 0.000 0.271 1428 Q C -1.177 174.881 176.000 0.097 0.000 1.077 1428 Q CA -0.783 55.068 55.803 0.080 0.000 0.820 1428 Q CB 2.571 31.357 28.738 0.081 0.000 1.347 1428 Q HN -0.088 nan 8.270 nan 0.000 0.444 1429 M N 1.959 121.540 119.600 -0.032 0.000 2.259 1429 M HA 0.324 4.804 4.480 -0.000 0.000 0.304 1429 M C -1.828 174.365 176.300 -0.178 0.000 1.019 1429 M CA -0.111 55.114 55.300 -0.124 0.000 0.922 1429 M CB 2.053 34.503 32.600 -0.251 0.000 1.600 1429 M HN 0.527 nan 8.290 nan 0.000 0.433 1430 Q N 3.534 123.279 119.800 -0.092 0.000 2.327 1430 Q HA 0.485 4.825 4.340 -0.000 0.000 0.270 1430 Q C -1.716 174.308 176.000 0.040 0.000 1.022 1430 Q CA -0.531 55.235 55.803 -0.061 0.000 0.773 1430 Q CB 1.059 29.825 28.738 0.047 0.000 1.251 1430 Q HN 0.713 nan 8.270 nan 0.000 0.457 1431 F N 3.841 123.721 119.950 -0.118 0.000 2.494 1431 F HA 0.130 4.657 4.527 -0.000 0.000 0.369 1431 F C 0.117 175.839 175.800 -0.129 0.000 1.098 1431 F CA -0.871 56.929 58.000 -0.334 0.000 1.154 1431 F CB -0.105 38.403 39.000 -0.819 0.000 1.103 1431 F HN 0.500 nan 8.300 nan 0.000 0.549 1432 F N 4.153 124.239 119.950 0.227 0.000 2.506 1432 F HA 0.435 4.962 4.527 -0.000 0.000 0.369 1432 F C 0.718 176.680 175.800 0.269 0.000 1.114 1432 F CA -0.624 57.504 58.000 0.214 0.000 1.121 1432 F CB -0.296 38.817 39.000 0.188 0.000 1.104 1432 F HN 0.442 nan 8.300 nan 0.000 0.564 1433 G N 3.843 112.426 108.800 -0.362 0.000 2.528 1433 G HA2 0.562 4.522 3.960 -0.000 0.000 0.289 1433 G HA3 0.562 4.522 3.960 -0.000 0.000 0.289 1433 G C -0.254 174.184 174.900 -0.770 0.000 1.192 1433 G CA -0.290 44.602 45.100 -0.347 0.000 0.921 1433 G HN 0.982 nan 8.290 nan 0.000 0.512 1434 A N 0.615 123.256 122.820 -0.298 0.000 3.909 1434 A HA 0.763 5.083 4.320 -0.000 0.000 0.180 1434 A C 0.793 178.375 177.584 -0.003 0.000 1.812 1434 A CA -0.088 51.775 52.037 -0.290 0.000 1.557 1434 A CB 0.384 19.377 19.000 -0.011 0.000 1.216 1434 A HN 0.594 nan 8.150 nan 0.000 0.386 1435 R N -1.661 118.862 120.500 0.038 0.000 2.673 1435 R HA 0.606 4.946 4.340 -0.000 0.000 0.281 1435 R C -1.325 174.818 176.300 -0.263 0.000 0.991 1435 R CA -0.303 55.769 56.100 -0.047 0.000 0.896 1435 R CB 2.216 32.517 30.300 0.001 0.000 1.201 1435 R HN 0.705 nan 8.270 nan 0.000 0.457 1436 A N 1.955 124.499 122.820 -0.459 0.000 2.288 1436 A HA 0.307 4.627 4.320 -0.000 0.000 0.320 1436 A C -0.591 176.768 177.584 -0.376 0.000 1.217 1436 A CA -0.657 51.038 52.037 -0.571 0.000 0.840 1436 A CB 0.548 19.062 19.000 -0.810 0.000 1.179 1436 A HN 0.878 nan 8.150 nan 0.000 0.504 1437 N N 2.972 121.511 118.700 -0.268 0.000 2.439 1437 N HA 0.249 4.989 4.740 -0.000 0.000 0.243 1437 N C 0.656 176.000 175.510 -0.276 0.000 1.088 1437 N CA -0.427 52.486 53.050 -0.227 0.000 0.940 1437 N CB 0.220 38.614 38.487 -0.155 0.000 1.180 1437 N HN 0.701 nan 8.380 nan 0.000 0.505 1438 L N 2.818 123.858 121.223 -0.306 0.000 2.376 1438 L HA -0.070 4.269 4.340 -0.000 0.000 0.219 1438 L C 2.307 179.029 176.870 -0.245 0.000 1.133 1438 L CA 0.513 55.172 54.840 -0.303 0.000 0.816 1438 L CB -0.301 41.568 42.059 -0.317 0.000 0.933 1438 L HN 0.631 nan 8.230 nan 0.000 0.449 1439 A N 0.512 123.198 122.820 -0.224 0.000 1.855 1439 A HA -0.187 4.133 4.320 -0.000 0.000 0.215 1439 A C 2.323 179.749 177.584 -0.263 0.000 1.191 1439 A CA 1.393 53.309 52.037 -0.203 0.000 0.613 1439 A CB -0.254 18.653 19.000 -0.154 0.000 0.829 1439 A HN 0.253 nan 8.150 nan 0.000 0.442 1440 K N -0.658 119.546 120.400 -0.327 0.000 2.097 1440 K HA -0.098 4.221 4.320 -0.000 0.000 0.206 1440 K C 2.062 178.136 176.600 -0.876 0.000 1.049 1440 K CA 1.748 57.680 56.287 -0.590 0.000 0.933 1440 K CB -0.394 31.762 32.500 -0.573 0.000 0.717 1440 K HN 0.502 nan 8.250 nan 0.000 0.442 1441 T N 1.569 115.814 114.554 -0.514 0.000 2.746 1441 T HA -0.182 4.167 4.350 -0.000 0.000 0.267 1441 T C 1.731 176.242 174.700 -0.315 0.000 1.039 1441 T CA 1.330 63.248 62.100 -0.303 0.000 1.142 1441 T CB -0.103 68.728 68.868 -0.063 0.000 0.866 1441 T HN 0.250 nan 8.240 nan 0.000 0.444 1442 M N 0.347 119.787 119.600 -0.267 0.000 2.117 1442 M HA 0.012 4.492 4.480 -0.000 0.000 0.262 1442 M C 2.164 178.330 176.300 -0.223 0.000 1.065 1442 M CA 1.448 56.617 55.300 -0.218 0.000 1.114 1442 M CB -0.225 32.257 32.600 -0.195 0.000 1.361 1442 M HN 0.215 nan 8.290 nan 0.000 0.408 1443 L N -0.503 120.589 121.223 -0.218 0.000 2.017 1443 L HA -0.252 4.088 4.340 -0.000 0.000 0.208 1443 L C 2.391 179.253 176.870 -0.012 0.000 1.073 1443 L CA 1.290 56.084 54.840 -0.076 0.000 0.745 1443 L CB -0.537 41.516 42.059 -0.010 0.000 0.894 1443 L HN 0.319 nan 8.230 nan 0.000 0.432 1444 Y N -0.184 119.930 120.300 -0.310 0.000 2.181 1444 Y HA -0.218 4.332 4.550 -0.000 0.000 0.288 1444 Y C 2.685 178.193 175.900 -0.653 0.000 1.146 1444 Y CA 0.614 58.426 58.100 -0.479 0.000 1.164 1444 Y CB -1.491 36.579 38.460 -0.650 0.000 0.982 1444 Y HN 0.232 nan 8.280 nan 0.000 0.515 1445 A N 0.505 122.970 122.820 -0.591 0.000 1.883 1445 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 1445 A C 2.397 179.853 177.584 -0.214 0.000 1.186 1445 A CA 1.979 53.745 52.037 -0.451 0.000 0.624 1445 A CB -1.177 17.661 19.000 -0.271 0.000 0.822 1445 A HN 0.433 nan 8.150 nan 0.000 0.444 1446 I N -0.398 120.083 120.570 -0.150 0.000 2.286 1446 I HA -0.231 3.939 4.170 -0.000 0.000 0.248 1446 I C 0.970 177.057 176.117 -0.050 0.000 1.115 1446 I CA 1.311 62.569 61.300 -0.070 0.000 1.392 1446 I CB -0.387 37.610 38.000 -0.004 0.000 1.065 1446 I HN 0.381 nan 8.210 nan 0.000 0.418 1447 N N 0.591 119.253 118.700 -0.063 0.000 2.455 1447 N HA 0.186 4.925 4.740 -0.000 0.000 0.258 1447 N C 0.851 176.302 175.510 -0.098 0.000 1.158 1447 N CA 0.324 53.337 53.050 -0.062 0.000 0.893 1447 N CB 0.650 39.115 38.487 -0.037 0.000 1.173 1447 N HN 0.374 nan 8.380 nan 0.000 0.503 1448 G N 0.477 109.215 108.800 -0.104 0.000 2.187 1448 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.261 1448 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.261 1448 G C 0.959 175.796 174.900 -0.105 0.000 1.000 1448 G CA 0.475 45.521 45.100 -0.089 0.000 0.718 1448 G HN 0.665 nan 8.290 nan 0.000 0.519 1449 G N -3.139 105.552 108.800 -0.180 0.000 2.194 1449 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.236 1449 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.236 1449 G C 0.414 175.147 174.900 -0.278 0.000 0.987 1449 G CA 0.387 45.388 45.100 -0.164 0.000 0.635 1449 G HN 1.570 nan 8.290 nan 0.000 0.520 1450 V N 2.042 121.801 119.914 -0.259 0.000 2.546 1450 V HA 0.433 4.553 4.120 -0.000 0.000 0.284 1450 V C 0.235 176.080 176.094 -0.415 0.000 1.050 1450 V CA -0.306 61.824 62.300 -0.285 0.000 0.981 1450 V CB 1.828 33.553 31.823 -0.164 0.000 0.990 1450 V HN 0.366 nan 8.190 nan 0.000 0.474 1451 D N 4.476 124.586 120.400 -0.484 0.000 2.380 1451 D HA 0.045 4.685 4.640 -0.000 0.000 0.230 1451 D C 1.145 177.361 176.300 -0.141 0.000 1.154 1451 D CA -0.290 53.456 54.000 -0.423 0.000 0.859 1451 D CB 1.249 41.818 40.800 -0.385 0.000 1.045 1451 D HN 0.787 nan 8.370 nan 0.000 0.495 1452 E N 4.481 124.650 120.200 -0.051 0.000 2.265 1452 E HA -0.205 4.145 4.350 -0.000 0.000 0.196 1452 E C 0.509 177.100 176.600 -0.015 0.000 0.996 1452 E CA 0.931 57.311 56.400 -0.033 0.000 0.832 1452 E CB 0.164 29.852 29.700 -0.019 0.000 0.756 1452 E HN 0.473 nan 8.360 nan 0.000 0.491 1453 K N 0.056 120.464 120.400 0.014 0.000 2.076 1453 K HA 0.086 4.406 4.320 -0.000 0.000 0.204 1453 K C 2.138 178.743 176.600 0.009 0.000 1.051 1453 K CA 0.983 57.283 56.287 0.022 0.000 0.949 1453 K CB 0.144 32.676 32.500 0.053 0.000 0.726 1453 K HN 0.154 nan 8.250 nan 0.000 0.443 1454 L N 0.506 121.730 121.223 0.002 0.000 2.640 1454 L HA 0.127 4.467 4.340 -0.000 0.000 0.230 1454 L C -0.389 176.467 176.870 -0.023 0.000 1.123 1454 L CA -0.064 54.774 54.840 -0.003 0.000 0.900 1454 L CB 0.168 42.232 42.059 0.009 0.000 1.146 1454 L HN 0.099 nan 8.230 nan 0.000 0.484 1455 K N 2.097 122.472 120.400 -0.041 0.000 3.974 1455 K HA -0.182 4.138 4.320 -0.000 0.000 0.280 1455 K C -0.491 176.074 176.600 -0.059 0.000 0.949 1455 K CA 0.695 56.950 56.287 -0.053 0.000 0.817 1455 K CB -1.234 31.244 32.500 -0.037 0.000 1.535 1455 K HN 0.442 nan 8.250 nan 0.000 0.444 1456 M N -1.631 117.916 119.600 -0.089 0.000 2.365 1456 M HA 0.301 4.781 4.480 -0.000 0.000 0.287 1456 M C -0.746 175.477 176.300 -0.128 0.000 1.154 1456 M CA -1.168 54.083 55.300 -0.082 0.000 0.941 1456 M CB 2.087 34.657 32.600 -0.051 0.000 1.704 1456 M HN -0.019 nan 8.290 nan 0.000 0.479 1457 Q N 2.138 121.877 119.800 -0.101 0.000 2.286 1457 Q HA 0.329 4.669 4.340 -0.000 0.000 0.267 1457 Q C 0.105 176.044 176.000 -0.103 0.000 1.028 1457 Q CA 0.195 55.926 55.803 -0.120 0.000 0.901 1457 Q CB 1.272 29.960 28.738 -0.084 0.000 1.183 1457 Q HN 0.738 nan 8.270 nan 0.000 0.392 1458 V N 1.780 121.605 119.914 -0.149 0.000 2.743 1458 V HA 0.562 4.682 4.120 -0.000 0.000 0.237 1458 V C 0.849 176.876 176.094 -0.111 0.000 1.113 1458 V CA 0.832 63.116 62.300 -0.026 0.000 1.141 1458 V CB -0.603 31.227 31.823 0.012 0.000 0.873 1458 V HN 0.601 nan 8.190 nan 0.000 0.486 1459 G N 1.574 110.171 108.800 -0.339 0.000 2.511 1459 G HA2 0.594 4.553 3.960 -0.000 0.000 0.316 1459 G HA3 0.594 4.553 3.960 -0.000 0.000 0.316 1459 G C -2.778 171.732 174.900 -0.651 0.000 1.210 1459 G CA -1.648 42.760 45.100 -1.155 0.000 0.969 1459 G HN 0.423 nan 8.290 nan 0.000 0.492 1460 P HA 0.182 nan 4.420 nan 0.000 0.263 1460 P C 0.096 177.294 177.300 -0.170 0.000 1.175 1460 P CA 0.233 63.120 63.100 -0.354 0.000 0.761 1460 P CB 0.082 31.583 31.700 -0.332 0.000 0.794 1461 K N 2.247 122.583 120.400 -0.107 0.000 2.451 1461 K HA 0.422 4.742 4.320 -0.000 0.000 0.280 1461 K C 0.726 177.301 176.600 -0.042 0.000 1.020 1461 K CA -0.050 56.196 56.287 -0.068 0.000 1.008 1461 K CB -0.518 31.951 32.500 -0.053 0.000 0.917 1461 K HN 0.758 nan 8.250 nan 0.000 0.478 1462 S N 0.281 115.960 115.700 -0.035 0.000 2.688 1462 S HA 0.562 5.032 4.470 -0.000 0.000 0.275 1462 S C -1.174 173.407 174.600 -0.031 0.000 1.175 1462 S CA -1.048 57.139 58.200 -0.021 0.000 0.818 1462 S CB 1.024 64.224 63.200 -0.001 0.000 1.157 1462 S HN 0.606 nan 8.310 nan 0.000 0.482 1463 E N 1.407 121.590 120.200 -0.028 0.000 2.259 1463 E HA 0.402 4.752 4.350 -0.000 0.000 0.281 1463 E C -2.526 174.051 176.600 -0.039 0.000 1.027 1463 E CA -1.797 54.584 56.400 -0.032 0.000 0.838 1463 E CB 0.316 30.000 29.700 -0.027 0.000 1.066 1463 E HN 0.362 nan 8.360 nan 0.000 0.401 1464 P HA 0.066 nan 4.420 nan 0.000 0.269 1464 P C 0.217 177.495 177.300 -0.036 0.000 1.209 1464 P CA -0.042 63.032 63.100 -0.043 0.000 0.776 1464 P CB 0.501 32.175 31.700 -0.042 0.000 0.876 1465 I N 0.709 121.258 120.570 -0.035 0.000 2.845 1465 I HA 0.015 4.185 4.170 -0.000 0.000 0.296 1465 I C 1.255 177.359 176.117 -0.021 0.000 1.216 1465 I CA 0.711 61.992 61.300 -0.031 0.000 1.438 1465 I CB -0.002 37.980 38.000 -0.029 0.000 1.342 1465 I HN 0.318 nan 8.210 nan 0.000 0.577 1466 K N 4.756 125.142 120.400 -0.022 0.000 2.098 1466 K HA 0.796 5.116 4.320 -0.000 0.000 0.258 1466 K C 0.129 176.721 176.600 -0.012 0.000 0.973 1466 K CA 0.055 56.332 56.287 -0.018 0.000 0.898 1466 K CB 1.398 33.887 32.500 -0.019 0.000 1.057 1466 K HN 1.155 nan 8.250 nan 0.000 0.447 1467 G N 0.565 109.360 108.800 -0.009 0.000 2.459 1467 G HA2 0.068 4.028 3.960 -0.000 0.000 0.685 1467 G HA3 0.068 4.028 3.960 -0.000 0.000 0.685 1467 G C -0.196 174.704 174.900 0.001 0.000 1.303 1467 G CA 0.356 45.453 45.100 -0.005 0.000 0.907 1467 G HN 1.099 nan 8.290 nan 0.000 0.632 1468 D N -1.469 118.933 120.400 0.003 0.000 2.350 1468 D HA 0.208 4.848 4.640 -0.000 0.000 0.213 1468 D C 0.831 177.143 176.300 0.019 0.000 1.031 1468 D CA 0.549 54.553 54.000 0.007 0.000 0.861 1468 D CB 0.712 41.514 40.800 0.003 0.000 0.926 1468 D HN 0.638 nan 8.370 nan 0.000 0.520 1469 V N 1.482 121.406 119.914 0.017 0.000 2.577 1469 V HA 0.263 4.383 4.120 -0.000 0.000 0.303 1469 V C -0.021 176.081 176.094 0.013 0.000 1.042 1469 V CA -0.949 61.363 62.300 0.021 0.000 0.872 1469 V CB 2.289 34.120 31.823 0.013 0.000 0.998 1469 V HN 0.055 nan 8.190 nan 0.000 0.423 1470 L N 3.676 124.908 121.223 0.014 0.000 2.426 1470 L HA 0.378 4.718 4.340 -0.000 0.000 0.271 1470 L C 0.271 177.130 176.870 -0.019 0.000 1.169 1470 L CA -0.013 54.821 54.840 -0.009 0.000 0.836 1470 L CB 0.562 42.603 42.059 -0.030 0.000 1.112 1470 L HN 0.739 nan 8.230 nan 0.000 0.465 1471 N N 1.259 119.944 118.700 -0.025 0.000 2.511 1471 N HA 0.064 4.804 4.740 -0.000 0.000 0.249 1471 N C 0.509 176.012 175.510 -0.012 0.000 0.971 1471 N CA -0.524 52.522 53.050 -0.008 0.000 0.938 1471 N CB 0.542 39.023 38.487 -0.010 0.000 1.131 1471 N HN 0.491 nan 8.380 nan 0.000 0.505 1472 Y N 3.578 123.813 120.300 -0.108 0.000 2.073 1472 Y HA -0.401 4.149 4.550 -0.000 0.000 0.270 1472 Y C 1.045 176.891 175.900 -0.090 0.000 1.226 1472 Y CA 2.529 60.557 58.100 -0.120 0.000 1.117 1472 Y CB -0.210 38.156 38.460 -0.156 0.000 0.939 1472 Y HN 0.646 nan 8.280 nan 0.000 0.504 1473 D N -0.259 120.142 120.400 0.003 0.000 2.123 1473 D HA -0.194 4.446 4.640 -0.000 0.000 0.196 1473 D C 2.190 178.395 176.300 -0.158 0.000 0.992 1473 D CA 1.768 55.722 54.000 -0.076 0.000 0.833 1473 D CB -0.279 40.546 40.800 0.041 0.000 0.954 1473 D HN 0.632 nan 8.370 nan 0.000 0.455 1474 E N 0.010 120.139 120.200 -0.119 0.000 2.047 1474 E HA -0.132 4.218 4.350 -0.000 0.000 0.191 1474 E C 2.110 178.610 176.600 -0.167 0.000 0.987 1474 E CA 0.620 56.948 56.400 -0.121 0.000 0.799 1474 E CB 0.100 29.751 29.700 -0.082 0.000 0.752 1474 E HN 0.027 nan 8.360 nan 0.000 0.449 1475 V N 1.185 120.984 119.914 -0.191 0.000 2.282 1475 V HA -0.309 3.811 4.120 -0.000 0.000 0.249 1475 V C 2.491 178.436 176.094 -0.249 0.000 1.057 1475 V CA 2.074 64.248 62.300 -0.209 0.000 1.032 1475 V CB -0.434 31.255 31.823 -0.224 0.000 0.645 1475 V HN 0.386 nan 8.190 nan 0.000 0.447 1476 M N -0.346 119.030 119.600 -0.372 0.000 2.229 1476 M HA -0.116 4.364 4.480 -0.000 0.000 0.264 1476 M C 1.938 178.129 176.300 -0.181 0.000 1.063 1476 M CA 1.714 56.812 55.300 -0.338 0.000 1.114 1476 M CB -0.487 31.781 32.600 -0.552 0.000 1.387 1476 M HN 0.374 nan 8.290 nan 0.000 0.420 1477 E N -0.574 119.518 120.200 -0.180 0.000 2.072 1477 E HA -0.180 4.170 4.350 -0.000 0.000 0.191 1477 E C 2.050 178.522 176.600 -0.213 0.000 0.985 1477 E CA 1.304 57.612 56.400 -0.155 0.000 0.801 1477 E CB 0.070 29.668 29.700 -0.170 0.000 0.750 1477 E HN 0.482 nan 8.360 nan 0.000 0.452 1478 R N -0.260 120.128 120.500 -0.186 0.000 2.075 1478 R HA -0.098 4.242 4.340 -0.000 0.000 0.232 1478 R C 2.446 178.748 176.300 0.003 0.000 1.126 1478 R CA 1.484 57.503 56.100 -0.135 0.000 0.963 1478 R CB -0.339 29.891 30.300 -0.116 0.000 0.858 1478 R HN 0.260 nan 8.270 nan 0.000 0.435 1479 M N 1.369 120.953 119.600 -0.027 0.000 2.159 1479 M HA -0.178 4.302 4.480 -0.000 0.000 0.263 1479 M C 1.773 178.156 176.300 0.138 0.000 1.063 1479 M CA 1.779 57.099 55.300 0.034 0.000 1.110 1479 M CB -0.188 32.377 32.600 -0.058 0.000 1.374 1479 M HN 0.005 nan 8.290 nan 0.000 0.411 1480 D N -0.937 119.534 120.400 0.119 0.000 2.123 1480 D HA -0.205 4.435 4.640 -0.000 0.000 0.200 1480 D C 1.744 178.219 176.300 0.292 0.000 0.976 1480 D CA 1.335 55.447 54.000 0.187 0.000 0.831 1480 D CB -0.281 40.619 40.800 0.166 0.000 0.974 1480 D HN 0.660 nan 8.370 nan 0.000 0.469 1481 H N -1.333 117.804 119.070 0.112 0.000 2.428 1481 H HA -0.085 4.471 4.556 -0.000 0.000 0.296 1481 H C 1.847 177.274 175.328 0.165 0.000 1.062 1481 H CA 0.512 56.629 56.048 0.116 0.000 1.350 1481 H CB 0.047 29.866 29.762 0.094 0.000 1.403 1481 H HN 0.166 nan 8.280 nan 0.000 0.533 1482 F N 1.069 121.147 119.950 0.212 0.000 2.259 1482 F HA -0.111 4.415 4.527 -0.000 0.000 0.298 1482 F C 2.352 178.319 175.800 0.277 0.000 1.088 1482 F CA 0.887 59.008 58.000 0.203 0.000 1.358 1482 F CB -0.074 38.998 39.000 0.119 0.000 1.040 1482 F HN 0.003 nan 8.300 nan 0.000 0.505 1483 M N -0.485 119.318 119.600 0.339 0.000 2.460 1483 M HA -0.180 4.299 4.480 -0.000 0.000 0.263 1483 M C 1.445 177.899 176.300 0.256 0.000 1.071 1483 M CA 1.032 56.526 55.300 0.322 0.000 1.096 1483 M CB -0.367 32.422 32.600 0.316 0.000 1.408 1483 M HN -0.013 nan 8.290 nan 0.000 0.463 1484 D N -0.510 119.994 120.400 0.173 0.000 2.097 1484 D HA -0.167 4.473 4.640 -0.000 0.000 0.197 1484 D C 1.440 177.786 176.300 0.076 0.000 0.984 1484 D CA 1.120 55.175 54.000 0.092 0.000 0.826 1484 D CB -0.258 40.575 40.800 0.054 0.000 0.973 1484 D HN 0.464 nan 8.370 nan 0.000 0.460 1485 W N 1.300 122.516 121.300 -0.140 0.000 2.354 1485 W HA -0.178 4.481 4.660 -0.000 0.000 0.315 1485 W C 2.121 178.555 176.519 -0.141 0.000 1.206 1485 W CA 1.029 58.249 57.345 -0.209 0.000 1.290 1485 W CB -0.687 28.506 29.460 -0.445 0.000 1.152 1485 W HN -0.021 nan 8.180 nan 0.000 0.489 1486 L N 1.602 122.837 121.223 0.020 0.000 2.081 1486 L HA -0.138 4.201 4.340 -0.000 0.000 0.212 1486 L C 2.426 179.320 176.870 0.040 0.000 1.080 1486 L CA 2.734 57.566 54.840 -0.013 0.000 0.754 1486 L CB -1.425 40.787 42.059 0.256 0.000 0.893 1486 L HN 0.108 nan 8.230 nan 0.000 0.433 1487 A N -0.788 122.093 122.820 0.101 0.000 1.902 1487 A HA -0.272 4.047 4.320 -0.000 0.000 0.217 1487 A C 2.454 179.978 177.584 -0.099 0.000 1.181 1487 A CA 1.978 53.995 52.037 -0.032 0.000 0.623 1487 A CB -0.578 18.324 19.000 -0.164 0.000 0.818 1487 A HN 0.495 nan 8.150 nan 0.000 0.443 1488 K N -0.933 119.367 120.400 -0.166 0.000 2.057 1488 K HA -0.167 4.153 4.320 -0.000 0.000 0.206 1488 K C 2.255 178.708 176.600 -0.245 0.000 1.050 1488 K CA 1.431 57.599 56.287 -0.197 0.000 0.935 1488 K CB -0.120 32.255 32.500 -0.209 0.000 0.715 1488 K HN 0.403 nan 8.250 nan 0.000 0.439 1489 Q N -0.381 119.178 119.800 -0.402 0.000 2.046 1489 Q HA -0.202 4.138 4.340 -0.000 0.000 0.200 1489 Q C 2.024 177.931 176.000 -0.154 0.000 0.975 1489 Q CA 1.405 56.966 55.803 -0.402 0.000 0.836 1489 Q CB -0.652 27.646 28.738 -0.733 0.000 0.896 1489 Q HN 0.415 nan 8.270 nan 0.000 0.428 1490 Y N 1.369 121.547 120.300 -0.204 0.000 2.097 1490 Y HA -0.202 4.348 4.550 -0.000 0.000 0.282 1490 Y C 2.098 177.949 175.900 -0.082 0.000 1.152 1490 Y CA 0.996 59.040 58.100 -0.093 0.000 1.136 1490 Y CB -0.424 38.053 38.460 0.028 0.000 0.975 1490 Y HN 0.003 nan 8.280 nan 0.000 0.498 1491 I N -0.395 120.092 120.570 -0.138 0.000 2.394 1491 I HA -0.253 3.917 4.170 -0.000 0.000 0.251 1491 I C 2.142 178.179 176.117 -0.133 0.000 1.136 1491 I CA 1.690 62.860 61.300 -0.217 0.000 1.425 1491 I CB -1.540 36.363 38.000 -0.162 0.000 1.079 1491 I HN 0.260 nan 8.210 nan 0.000 0.425 1492 T N 1.138 115.625 114.554 -0.112 0.000 2.821 1492 T HA -0.070 4.280 4.350 -0.000 0.000 0.267 1492 T C 2.064 176.724 174.700 -0.066 0.000 1.046 1492 T CA 1.363 63.411 62.100 -0.088 0.000 1.139 1492 T CB -0.135 68.666 68.868 -0.111 0.000 0.871 1492 T HN 0.432 nan 8.240 nan 0.000 0.454 1493 A N 1.506 124.281 122.820 -0.075 0.000 1.858 1493 A HA -0.002 4.318 4.320 -0.000 0.000 0.216 1493 A C 2.286 179.878 177.584 0.014 0.000 1.190 1493 A CA 1.235 53.266 52.037 -0.009 0.000 0.617 1493 A CB -0.910 18.060 19.000 -0.049 0.000 0.827 1493 A HN 0.469 nan 8.150 nan 0.000 0.443 1494 L N -0.308 120.876 121.223 -0.066 0.000 2.083 1494 L HA -0.213 4.127 4.340 -0.000 0.000 0.209 1494 L C 2.340 179.238 176.870 0.048 0.000 1.083 1494 L CA 1.161 55.993 54.840 -0.014 0.000 0.752 1494 L CB -0.787 41.190 42.059 -0.137 0.000 0.899 1494 L HN 0.390 nan 8.230 nan 0.000 0.433 1495 N N 0.587 119.287 118.700 -0.000 0.000 2.069 1495 N HA -0.163 4.577 4.740 -0.000 0.000 0.191 1495 N C 1.892 177.347 175.510 -0.093 0.000 1.031 1495 N CA 1.455 54.518 53.050 0.021 0.000 0.852 1495 N CB -0.228 38.272 38.487 0.022 0.000 1.018 1495 N HN 0.310 nan 8.380 nan 0.000 0.423 1496 I N 0.883 121.399 120.570 -0.090 0.000 2.179 1496 I HA -0.214 3.956 4.170 -0.000 0.000 0.242 1496 I C 2.119 178.155 176.117 -0.135 0.000 1.088 1496 I CA 0.809 62.027 61.300 -0.136 0.000 1.357 1496 I CB -0.268 37.686 38.000 -0.076 0.000 1.051 1496 I HN 0.053 nan 8.210 nan 0.000 0.409 1497 I N 0.381 120.879 120.570 -0.119 0.000 2.151 1497 I HA -0.359 3.811 4.170 -0.000 0.000 0.243 1497 I C 2.356 178.329 176.117 -0.240 0.000 1.080 1497 I CA 1.905 63.112 61.300 -0.155 0.000 1.339 1497 I CB -0.549 37.319 38.000 -0.221 0.000 1.039 1497 I HN 0.310 nan 8.210 nan 0.000 0.409 1498 H N -1.920 116.994 119.070 -0.260 0.000 2.535 1498 H HA -0.112 4.444 4.556 -0.000 0.000 0.273 1498 H C 1.698 176.644 175.328 -0.636 0.000 0.983 1498 H CA 0.806 56.541 56.048 -0.522 0.000 1.238 1498 H CB -0.038 29.060 29.762 -1.107 0.000 1.412 1498 H HN 0.377 nan 8.280 nan 0.000 0.562 1499 Y N 0.577 120.339 120.300 -0.897 0.000 2.184 1499 Y HA -0.188 4.362 4.550 -0.000 0.000 0.290 1499 Y C 1.993 177.674 175.900 -0.364 0.000 1.129 1499 Y CA 1.131 58.600 58.100 -1.051 0.000 1.144 1499 Y CB -0.039 37.926 38.460 -0.826 0.000 0.995 1499 Y HN 0.029 nan 8.280 nan 0.000 0.513 1500 M N -0.333 119.321 119.600 0.089 0.000 2.086 1500 M HA -0.227 4.252 4.480 -0.000 0.000 0.261 1500 M C 2.242 178.663 176.300 0.203 0.000 1.067 1500 M CA 1.719 57.133 55.300 0.190 0.000 1.116 1500 M CB -1.664 31.101 32.600 0.274 0.000 1.348 1500 M HN 0.433 nan 8.290 nan 0.000 0.407 1501 H N 0.472 119.569 119.070 0.045 0.000 2.456 1501 H HA -0.115 4.441 4.556 -0.000 0.000 0.296 1501 H C 1.094 176.388 175.328 -0.057 0.000 1.079 1501 H CA 1.358 57.285 56.048 -0.201 0.000 1.322 1501 H CB 0.091 29.573 29.762 -0.467 0.000 1.388 1501 H HN 0.286 nan 8.280 nan 0.000 0.538 1502 D N -0.055 120.419 120.400 0.123 0.000 2.183 1502 D HA -0.081 4.559 4.640 -0.000 0.000 0.203 1502 D C 2.274 178.573 176.300 -0.001 0.000 0.969 1502 D CA 0.692 54.798 54.000 0.178 0.000 0.842 1502 D CB 0.137 41.050 40.800 0.188 0.000 0.957 1502 D HN 0.362 nan 8.370 nan 0.000 0.484 1503 K N -0.624 119.647 120.400 -0.215 0.000 2.044 1503 K HA -0.068 4.252 4.320 -0.000 0.000 0.204 1503 K C 1.047 177.437 176.600 -0.351 0.000 1.045 1503 K CA 0.736 56.762 56.287 -0.435 0.000 0.951 1503 K CB 0.085 32.102 32.500 -0.806 0.000 0.738 1503 K HN 0.079 nan 8.250 nan 0.000 0.443 1504 Y N -0.629 119.697 120.300 0.043 0.000 2.457 1504 Y HA 0.259 4.808 4.550 -0.000 0.000 0.263 1504 Y C 0.677 176.595 175.900 0.031 0.000 1.164 1504 Y CA -0.246 57.901 58.100 0.077 0.000 1.274 1504 Y CB 1.105 39.645 38.460 0.135 0.000 1.097 1504 Y HN -0.070 nan 8.280 nan 0.000 0.523 1505 S N -0.504 115.236 115.700 0.067 0.000 2.646 1505 S HA 0.112 4.582 4.470 -0.000 0.000 0.217 1505 S C -1.147 173.524 174.600 0.119 0.000 0.836 1505 S CA -0.527 57.656 58.200 -0.030 0.000 1.094 1505 S CB -0.782 62.214 63.200 -0.341 0.000 1.557 1505 S HN 0.214 nan 8.310 nan 0.000 0.449 1506 Y N 2.864 123.167 120.300 0.004 0.000 2.650 1506 Y HA 0.206 4.756 4.550 -0.000 0.000 0.331 1506 Y C 0.473 176.388 175.900 0.024 0.000 1.165 1506 Y CA 0.202 58.325 58.100 0.039 0.000 1.473 1506 Y CB 0.467 38.923 38.460 -0.007 0.000 1.224 1506 Y HN 0.328 nan 8.280 nan 0.000 0.533 1507 E N 5.300 125.258 120.200 -0.402 0.000 2.467 1507 E HA 0.181 4.531 4.350 -0.000 0.000 0.321 1507 E C 1.245 177.584 176.600 -0.435 0.000 1.388 1507 E CA 0.516 56.734 56.400 -0.304 0.000 1.508 1507 E CB -0.312 29.269 29.700 -0.198 0.000 1.250 1507 E HN 0.743 nan 8.360 nan 0.000 0.500 1508 A N 1.287 123.916 122.820 -0.318 0.000 1.903 1508 A HA -0.316 4.004 4.320 -0.000 0.000 0.219 1508 A C 2.255 179.811 177.584 -0.047 0.000 1.191 1508 A CA 2.254 54.226 52.037 -0.107 0.000 0.638 1508 A CB -0.798 18.267 19.000 0.108 0.000 0.823 1508 A HN 0.542 nan 8.150 nan 0.000 0.451 1509 S N -0.726 114.960 115.700 -0.023 0.000 2.419 1509 S HA -0.090 4.380 4.470 -0.000 0.000 0.233 1509 S C 1.585 176.215 174.600 0.050 0.000 1.016 1509 S CA 1.685 59.898 58.200 0.021 0.000 0.974 1509 S CB -0.454 62.763 63.200 0.029 0.000 0.786 1509 S HN 0.287 nan 8.310 nan 0.000 0.492 1510 L N 0.276 121.513 121.223 0.022 0.000 2.168 1510 L HA 0.308 4.648 4.340 -0.000 0.000 0.203 1510 L C 2.620 179.545 176.870 0.091 0.000 1.078 1510 L CA 0.838 55.720 54.840 0.069 0.000 0.780 1510 L CB -0.688 41.422 42.059 0.085 0.000 0.939 1510 L HN 0.207 nan 8.230 nan 0.000 0.451 1511 M N -0.196 119.353 119.600 -0.085 0.000 2.358 1511 M HA -0.022 4.458 4.480 -0.000 0.000 0.264 1511 M C 2.220 178.565 176.300 0.074 0.000 1.064 1511 M CA 1.198 56.430 55.300 -0.113 0.000 1.093 1511 M CB -1.435 30.986 32.600 -0.298 0.000 1.401 1511 M HN 0.290 nan 8.290 nan 0.000 0.440 1512 A N -0.444 122.417 122.820 0.068 0.000 2.168 1512 A HA 0.057 4.376 4.320 -0.000 0.000 0.215 1512 A C 1.748 179.375 177.584 0.072 0.000 1.152 1512 A CA 0.662 52.748 52.037 0.082 0.000 0.716 1512 A CB -0.491 18.548 19.000 0.064 0.000 0.794 1512 A HN 0.488 nan 8.150 nan 0.000 0.465 1513 L N -0.428 120.839 121.223 0.074 0.000 3.017 1513 L HA 0.323 4.662 4.340 -0.000 0.000 0.255 1513 L C -0.193 176.618 176.870 -0.098 0.000 1.247 1513 L CA -0.390 54.434 54.840 -0.027 0.000 1.038 1513 L CB -0.119 41.852 42.059 -0.147 0.000 1.380 1513 L HN 0.305 nan 8.230 nan 0.000 0.548 1514 H N -1.710 117.319 119.070 -0.068 0.000 2.797 1514 H HA 0.411 4.966 4.556 -0.000 0.000 0.362 1514 H C -0.518 174.793 175.328 -0.027 0.000 1.183 1514 H CA -0.751 55.261 56.048 -0.059 0.000 1.197 1514 H CB 1.194 30.924 29.762 -0.053 0.000 1.835 1514 H HN -0.106 nan 8.280 nan 0.000 0.567 1515 D N -0.331 120.133 120.400 0.107 0.000 2.380 1515 D HA 0.075 4.715 4.640 -0.000 0.000 0.254 1515 D C 1.494 177.835 176.300 0.069 0.000 1.288 1515 D CA -0.231 53.805 54.000 0.060 0.000 1.008 1515 D CB 0.767 41.590 40.800 0.039 0.000 1.099 1515 D HN 0.420 nan 8.370 nan 0.000 0.537 1516 R N -0.273 120.254 120.500 0.044 0.000 2.064 1516 R HA -0.071 4.269 4.340 -0.000 0.000 0.228 1516 R C -0.396 175.922 176.300 0.029 0.000 1.144 1516 R CA 1.002 57.126 56.100 0.040 0.000 0.932 1516 R CB 0.051 30.365 30.300 0.024 0.000 0.833 1516 R HN 0.436 nan 8.270 nan 0.000 0.429 1517 D N 2.174 122.583 120.400 0.014 0.000 2.380 1517 D HA 0.128 4.768 4.640 -0.000 0.000 0.230 1517 D C -0.429 175.871 176.300 0.001 0.000 1.154 1517 D CA -0.084 53.914 54.000 -0.002 0.000 0.859 1517 D CB 1.688 42.480 40.800 -0.012 0.000 1.045 1517 D HN 0.093 nan 8.370 nan 0.000 0.495 1518 V N 0.010 119.918 119.914 -0.010 0.000 2.532 1518 V HA 0.508 4.628 4.120 -0.000 0.000 0.295 1518 V C 0.379 176.440 176.094 -0.055 0.000 1.041 1518 V CA -1.026 61.269 62.300 -0.010 0.000 0.926 1518 V CB 1.458 33.278 31.823 -0.005 0.000 0.992 1518 V HN 0.282 nan 8.190 nan 0.000 0.457 1519 I N 4.280 124.824 120.570 -0.044 0.000 2.505 1519 I HA 0.341 4.511 4.170 -0.000 0.000 0.287 1519 I C 0.769 176.806 176.117 -0.133 0.000 1.104 1519 I CA 0.299 61.555 61.300 -0.073 0.000 1.387 1519 I CB 0.212 38.189 38.000 -0.038 0.000 1.404 1519 I HN 0.630 nan 8.210 nan 0.000 0.528 1520 R N 4.274 124.651 120.500 -0.205 0.000 2.474 1520 R HA 0.617 4.956 4.340 -0.000 0.000 0.295 1520 R C -0.353 175.776 176.300 -0.285 0.000 0.980 1520 R CA -0.581 55.304 56.100 -0.358 0.000 0.934 1520 R CB 1.905 31.866 30.300 -0.566 0.000 1.101 1520 R HN 0.694 nan 8.270 nan 0.000 0.469 1521 T N -0.608 113.773 114.554 -0.288 0.000 2.909 1521 T HA 0.376 4.725 4.350 -0.000 0.000 0.299 1521 T C -0.466 174.161 174.700 -0.122 0.000 1.073 1521 T CA -0.966 61.039 62.100 -0.158 0.000 0.999 1521 T CB 1.546 70.360 68.868 -0.089 0.000 1.098 1521 T HN 0.356 nan 8.240 nan 0.000 0.477 1522 M N 3.472 123.041 119.600 -0.052 0.000 2.664 1522 M HA 0.569 5.049 4.480 -0.000 0.000 0.332 1522 M C 0.464 176.748 176.300 -0.027 0.000 1.354 1522 M CA -0.576 54.713 55.300 -0.018 0.000 1.399 1522 M CB -0.695 31.887 32.600 -0.029 0.000 1.224 1522 M HN 0.889 nan 8.290 nan 0.000 0.479 1523 A N 4.352 127.175 122.820 0.004 0.000 2.618 1523 A HA 0.246 4.565 4.320 -0.000 0.000 0.293 1523 A C 0.124 177.718 177.584 0.016 0.000 1.413 1523 A CA -0.306 51.754 52.037 0.038 0.000 1.074 1523 A CB -1.208 17.860 19.000 0.112 0.000 1.087 1523 A HN 0.856 nan 8.150 nan 0.000 0.553 1524 C N 1.673 120.999 119.300 0.044 0.000 2.520 1524 C HA 0.786 5.246 4.460 -0.000 0.000 0.376 1524 C C 1.207 176.302 174.990 0.175 0.000 1.268 1524 C CA 0.158 59.258 59.018 0.138 0.000 2.414 1524 C CB 0.840 28.705 27.740 0.207 0.000 2.521 1524 C HN 0.985 nan 8.230 nan 0.000 0.618 1525 G N 0.556 109.497 108.800 0.236 0.000 2.642 1525 G HA2 0.777 4.737 3.960 -0.000 0.000 0.293 1525 G HA3 0.777 4.737 3.960 -0.000 0.000 0.293 1525 G C -1.503 173.447 174.900 0.083 0.000 1.341 1525 G CA -0.418 44.766 45.100 0.140 0.000 0.916 1525 G HN 0.674 nan 8.290 nan 0.000 0.474 1526 I N 0.463 121.049 120.570 0.027 0.000 2.545 1526 I HA 0.631 4.801 4.170 -0.000 0.000 0.292 1526 I C 0.129 176.203 176.117 -0.072 0.000 1.040 1526 I CA -0.981 60.276 61.300 -0.072 0.000 1.068 1526 I CB 2.325 40.278 38.000 -0.079 0.000 1.251 1526 I HN 0.637 nan 8.210 nan 0.000 0.424 1527 A N 3.341 126.089 122.820 -0.120 0.000 2.355 1527 A HA 0.726 5.046 4.320 -0.000 0.000 0.324 1527 A C 0.584 178.098 177.584 -0.118 0.000 1.117 1527 A CA -0.016 51.971 52.037 -0.084 0.000 0.785 1527 A CB 1.275 20.238 19.000 -0.061 0.000 1.254 1527 A HN 1.206 nan 8.150 nan 0.000 0.453 1528 G N 0.427 109.172 108.800 -0.092 0.000 2.198 1528 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.260 1528 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.260 1528 G C 0.633 175.437 174.900 -0.160 0.000 1.025 1528 G CA 0.659 45.693 45.100 -0.111 0.000 0.769 1528 G HN 1.443 nan 8.290 nan 0.000 0.507 1529 L N 1.543 122.656 121.223 -0.184 0.000 2.017 1529 L HA 0.011 4.350 4.340 -0.000 0.000 0.208 1529 L C 2.994 179.641 176.870 -0.372 0.000 1.073 1529 L CA 3.301 57.992 54.840 -0.249 0.000 0.745 1529 L CB -0.910 41.008 42.059 -0.235 0.000 0.894 1529 L HN 0.842 nan 8.230 nan 0.000 0.432 1530 S N -1.397 114.018 115.700 -0.476 0.000 2.370 1530 S HA -0.183 4.287 4.470 -0.000 0.000 0.226 1530 S C 1.942 176.384 174.600 -0.262 0.000 1.033 1530 S CA 1.667 59.476 58.200 -0.652 0.000 1.011 1530 S CB -1.182 61.798 63.200 -0.367 0.000 0.852 1530 S HN 0.260 nan 8.310 nan 0.000 0.457 1531 V N 2.391 122.213 119.914 -0.154 0.000 2.407 1531 V HA -0.059 4.061 4.120 -0.000 0.000 0.248 1531 V C 3.152 179.182 176.094 -0.107 0.000 1.055 1531 V CA 1.602 63.851 62.300 -0.084 0.000 1.049 1531 V CB -1.538 30.244 31.823 -0.068 0.000 0.662 1531 V HN 0.705 nan 8.190 nan 0.000 0.455 1532 A N -0.036 122.695 122.820 -0.148 0.000 1.897 1532 A HA -0.001 4.319 4.320 -0.000 0.000 0.215 1532 A C 2.428 179.944 177.584 -0.114 0.000 1.181 1532 A CA 1.781 53.730 52.037 -0.146 0.000 0.620 1532 A CB -0.697 18.205 19.000 -0.164 0.000 0.821 1532 A HN 0.530 nan 8.150 nan 0.000 0.443 1533 A N 0.225 122.968 122.820 -0.129 0.000 1.877 1533 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 1533 A C 1.797 179.403 177.584 0.037 0.000 1.186 1533 A CA 1.995 54.000 52.037 -0.053 0.000 0.620 1533 A CB -0.686 18.238 19.000 -0.127 0.000 0.822 1533 A HN 0.433 nan 8.150 nan 0.000 0.443 1534 D N -0.105 120.326 120.400 0.052 0.000 2.092 1534 D HA -0.098 4.542 4.640 -0.000 0.000 0.193 1534 D C 2.354 178.666 176.300 0.019 0.000 0.994 1534 D CA 1.723 55.818 54.000 0.159 0.000 0.828 1534 D CB -0.468 40.453 40.800 0.202 0.000 0.963 1534 D HN 0.358 nan 8.370 nan 0.000 0.450 1535 S N 0.048 115.697 115.700 -0.086 0.000 2.370 1535 S HA -0.119 4.351 4.470 -0.000 0.000 0.226 1535 S C 2.154 176.639 174.600 -0.192 0.000 1.033 1535 S CA 0.576 58.647 58.200 -0.217 0.000 1.011 1535 S CB -0.302 62.757 63.200 -0.236 0.000 0.852 1535 S HN 0.243 nan 8.310 nan 0.000 0.457 1536 L N 0.794 121.964 121.223 -0.088 0.000 2.046 1536 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 1536 L C 2.739 179.626 176.870 0.028 0.000 1.077 1536 L CA 1.262 56.103 54.840 0.002 0.000 0.747 1536 L CB -0.649 41.458 42.059 0.081 0.000 0.896 1536 L HN 0.352 nan 8.230 nan 0.000 0.432 1537 S N -0.123 115.611 115.700 0.057 0.000 2.378 1537 S HA -0.301 4.169 4.470 -0.000 0.000 0.221 1537 S C 2.185 176.808 174.600 0.037 0.000 1.037 1537 S CA 1.693 59.993 58.200 0.166 0.000 1.069 1537 S CB -0.346 63.076 63.200 0.371 0.000 1.006 1537 S HN 0.451 nan 8.310 nan 0.000 0.423 1538 A N 1.393 124.086 122.820 -0.211 0.000 1.940 1538 A HA -0.181 4.139 4.320 -0.000 0.000 0.221 1538 A C 2.189 179.626 177.584 -0.245 0.000 1.190 1538 A CA 2.117 53.835 52.037 -0.531 0.000 0.647 1538 A CB -1.123 17.119 19.000 -1.263 0.000 0.821 1538 A HN 0.692 nan 8.150 nan 0.000 0.457 1539 I N -0.362 120.084 120.570 -0.208 0.000 2.361 1539 I HA -0.254 3.915 4.170 -0.000 0.000 0.251 1539 I C 2.280 178.333 176.117 -0.107 0.000 1.133 1539 I CA 1.980 63.202 61.300 -0.129 0.000 1.413 1539 I CB -0.158 37.791 38.000 -0.086 0.000 1.073 1539 I HN 0.578 nan 8.210 nan 0.000 0.424 1540 K N -1.020 119.243 120.400 -0.228 0.000 2.358 1540 K HA 0.032 4.352 4.320 -0.000 0.000 0.200 1540 K C 0.347 176.596 176.600 -0.586 0.000 1.030 1540 K CA 0.259 56.279 56.287 -0.445 0.000 1.097 1540 K CB 0.338 32.356 32.500 -0.803 0.000 0.862 1540 K HN 0.171 nan 8.250 nan 0.000 0.534 1541 Y N 0.315 120.609 120.300 -0.010 0.000 2.672 1541 Y HA 0.479 5.029 4.550 -0.000 0.000 0.252 1541 Y C 0.410 176.343 175.900 0.055 0.000 1.132 1541 Y CA -0.614 57.501 58.100 0.025 0.000 1.228 1541 Y CB 1.337 39.835 38.460 0.064 0.000 1.310 1541 Y HN 0.271 nan 8.280 nan 0.000 0.549 1542 A N -0.458 122.433 122.820 0.119 0.000 2.593 1542 A HA 0.786 5.106 4.320 -0.000 0.000 0.304 1542 A C -1.470 176.137 177.584 0.038 0.000 1.233 1542 A CA -0.880 51.218 52.037 0.102 0.000 0.661 1542 A CB 1.114 20.198 19.000 0.139 0.000 1.338 1542 A HN -0.150 nan 8.150 nan 0.000 0.495 1543 K N 0.650 121.075 120.400 0.041 0.000 2.404 1543 K HA 0.584 4.904 4.320 -0.000 0.000 0.257 1543 K C -1.576 175.037 176.600 0.021 0.000 1.026 1543 K CA -0.055 56.248 56.287 0.026 0.000 0.951 1543 K CB 1.078 33.599 32.500 0.036 0.000 1.203 1543 K HN 0.387 nan 8.250 nan 0.000 0.446 1544 V N 5.251 125.166 119.914 0.002 0.000 2.333 1544 V HA 0.345 4.464 4.120 -0.000 0.000 0.274 1544 V C -0.273 175.864 176.094 0.072 0.000 1.028 1544 V CA -0.724 61.587 62.300 0.017 0.000 0.851 1544 V CB 1.027 32.810 31.823 -0.066 0.000 1.000 1544 V HN 0.504 nan 8.190 nan 0.000 0.456 1545 K N 7.285 127.747 120.400 0.102 0.000 2.307 1545 K HA 0.481 4.801 4.320 -0.000 0.000 0.263 1545 K C -2.748 173.929 176.600 0.129 0.000 0.973 1545 K CA -1.679 54.663 56.287 0.092 0.000 0.846 1545 K CB 2.552 35.080 32.500 0.048 0.000 1.100 1545 K HN 0.358 nan 8.250 nan 0.000 0.438 1546 P HA 0.270 nan 4.420 nan 0.000 0.290 1546 P C -0.414 176.783 177.300 -0.171 0.000 1.276 1546 P CA -0.486 62.571 63.100 -0.072 0.000 0.808 1546 P CB 1.010 32.713 31.700 0.005 0.000 0.966 1547 I N 3.984 124.377 120.570 -0.295 0.000 2.312 1547 I HA 0.291 4.460 4.170 -0.000 0.000 0.291 1547 I C 1.235 177.220 176.117 -0.219 0.000 1.031 1547 I CA -0.320 60.859 61.300 -0.200 0.000 1.293 1547 I CB 0.329 38.220 38.000 -0.182 0.000 1.403 1547 I HN 0.272 nan 8.210 nan 0.000 0.484 1548 R N 4.049 124.464 120.500 -0.142 0.000 2.573 1548 R HA 0.363 4.703 4.340 -0.000 0.000 0.272 1548 R C -0.313 175.931 176.300 -0.093 0.000 1.009 1548 R CA -0.763 55.264 56.100 -0.121 0.000 1.059 1548 R CB 1.375 31.622 30.300 -0.087 0.000 1.112 1548 R HN 0.598 nan 8.270 nan 0.000 0.517 1549 D N -0.153 120.197 120.400 -0.084 0.000 2.564 1549 D HA -0.028 4.611 4.640 -0.000 0.000 0.273 1549 D C 0.811 177.079 176.300 -0.052 0.000 1.192 1549 D CA -0.527 53.434 54.000 -0.065 0.000 1.080 1549 D CB 0.268 41.030 40.800 -0.063 0.000 1.160 1549 D HN 0.530 nan 8.370 nan 0.000 0.607 1550 E N -0.262 119.912 120.200 -0.044 0.000 2.267 1550 E HA -0.207 4.143 4.350 -0.000 0.000 0.197 1550 E C 0.037 176.615 176.600 -0.037 0.000 0.998 1550 E CA 1.100 57.477 56.400 -0.037 0.000 0.830 1550 E CB -0.358 29.323 29.700 -0.032 0.000 0.751 1550 E HN 0.485 nan 8.360 nan 0.000 0.491 1551 D N 0.271 120.646 120.400 -0.042 0.000 2.368 1551 D HA 0.151 4.791 4.640 -0.000 0.000 0.218 1551 D C 0.790 177.063 176.300 -0.045 0.000 1.112 1551 D CA 0.576 54.551 54.000 -0.042 0.000 0.834 1551 D CB 0.703 41.476 40.800 -0.045 0.000 0.953 1551 D HN 0.368 nan 8.370 nan 0.000 0.505 1552 G N 1.497 110.268 108.800 -0.048 0.000 2.160 1552 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.251 1552 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.251 1552 G C 0.275 175.141 174.900 -0.058 0.000 1.008 1552 G CA -0.040 45.030 45.100 -0.050 0.000 0.724 1552 G HN 0.316 nan 8.290 nan 0.000 0.514 1553 L N 0.258 121.442 121.223 -0.066 0.000 2.375 1553 L HA 0.648 4.987 4.340 -0.000 0.000 0.271 1553 L C 1.120 177.928 176.870 -0.102 0.000 1.107 1553 L CA -0.398 54.400 54.840 -0.070 0.000 0.806 1553 L CB 1.451 43.470 42.059 -0.067 0.000 1.146 1553 L HN 0.277 nan 8.230 nan 0.000 0.447 1554 A N 4.102 126.857 122.820 -0.108 0.000 2.395 1554 A HA 0.327 4.647 4.320 -0.000 0.000 0.286 1554 A C 0.651 178.064 177.584 -0.285 0.000 1.193 1554 A CA -0.269 51.614 52.037 -0.257 0.000 0.852 1554 A CB -0.206 18.678 19.000 -0.193 0.000 1.118 1554 A HN 0.638 nan 8.150 nan 0.000 0.524 1555 I N 1.208 121.588 120.570 -0.317 0.000 3.976 1555 I HA 0.228 4.398 4.170 -0.000 0.000 0.337 1555 I C 0.277 176.229 176.117 -0.276 0.000 1.359 1555 I CA 0.722 61.893 61.300 -0.215 0.000 1.098 1555 I CB -1.205 36.711 38.000 -0.139 0.000 1.027 1555 I HN 0.613 nan 8.210 nan 0.000 0.394 1556 D N 0.162 120.208 120.400 -0.591 0.000 2.972 1556 D HA 0.277 4.917 4.640 -0.000 0.000 0.294 1556 D C -1.880 173.849 176.300 -0.952 0.000 1.211 1556 D CA -0.225 53.481 54.000 -0.490 0.000 0.732 1556 D CB 1.251 41.931 40.800 -0.201 0.000 1.257 1556 D HN -0.192 nan 8.370 nan 0.000 0.435 1557 F N 0.536 120.476 119.950 -0.017 0.000 2.619 1557 F HA 0.392 4.919 4.527 -0.000 0.000 0.308 1557 F C 0.058 175.851 175.800 -0.011 0.000 1.097 1557 F CA -0.719 57.268 58.000 -0.022 0.000 0.953 1557 F CB 1.949 40.926 39.000 -0.039 0.000 1.287 1557 F HN -0.049 nan 8.300 nan 0.000 0.446 1558 E N 3.070 123.366 120.200 0.161 0.000 2.133 1558 E HA 0.566 4.916 4.350 -0.000 0.000 0.274 1558 E C -0.943 175.717 176.600 0.101 0.000 0.930 1558 E CA -0.467 55.993 56.400 0.101 0.000 0.770 1558 E CB 2.153 31.888 29.700 0.059 0.000 1.104 1558 E HN 0.424 nan 8.360 nan 0.000 0.403 1559 I N 2.101 122.728 120.570 0.095 0.000 2.460 1559 I HA 0.245 4.414 4.170 -0.000 0.000 0.298 1559 I C 0.017 176.189 176.117 0.091 0.000 0.989 1559 I CA -0.493 60.856 61.300 0.083 0.000 1.173 1559 I CB 1.645 39.705 38.000 0.100 0.000 1.338 1559 I HN 0.501 nan 8.210 nan 0.000 0.456 1560 E N 4.752 125.002 120.200 0.083 0.000 2.331 1560 E HA 0.567 4.917 4.350 -0.000 0.000 0.243 1560 E C -0.495 176.159 176.600 0.090 0.000 0.925 1560 E CA -0.319 56.127 56.400 0.076 0.000 0.760 1560 E CB 1.167 30.900 29.700 0.055 0.000 1.254 1560 E HN 0.892 nan 8.360 nan 0.000 0.419 1561 G N 2.874 111.736 108.800 0.103 0.000 2.371 1561 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.663 1561 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.663 1561 G C -1.197 173.794 174.900 0.152 0.000 1.311 1561 G CA -0.994 44.169 45.100 0.106 0.000 0.985 1561 G HN 0.363 nan 8.290 nan 0.000 0.566 1562 E N -0.513 119.754 120.200 0.112 0.000 2.248 1562 E HA 0.651 5.001 4.350 -0.000 0.000 0.272 1562 E C -0.679 176.018 176.600 0.162 0.000 1.008 1562 E CA -0.352 56.087 56.400 0.064 0.000 0.856 1562 E CB 1.604 31.286 29.700 -0.029 0.000 1.120 1562 E HN 0.780 nan 8.360 nan 0.000 0.397 1563 Y N -1.793 118.535 120.300 0.047 0.000 2.492 1563 Y HA 0.517 5.067 4.550 -0.000 0.000 0.346 1563 Y C -2.746 173.173 175.900 0.032 0.000 0.997 1563 Y CA -3.165 54.984 58.100 0.081 0.000 1.025 1563 Y CB 0.669 39.212 38.460 0.139 0.000 1.263 1563 Y HN 0.203 nan 8.280 nan 0.000 0.454 1564 P HA 0.051 nan 4.420 nan 0.000 0.266 1564 P C -1.193 176.130 177.300 0.037 0.000 1.195 1564 P CA 0.191 63.258 63.100 -0.054 0.000 0.768 1564 P CB 1.192 32.825 31.700 -0.113 0.000 0.838 1565 Q N 1.351 121.132 119.800 -0.031 0.000 2.309 1565 Q HA 0.345 4.685 4.340 -0.000 0.000 0.264 1565 Q C -0.229 175.831 176.000 0.101 0.000 1.008 1565 Q CA -0.926 54.907 55.803 0.050 0.000 0.853 1565 Q CB 1.408 30.120 28.738 -0.043 0.000 1.314 1565 Q HN 0.385 nan 8.270 nan 0.000 0.448 1566 F N 1.033 121.007 119.950 0.040 0.000 2.626 1566 F HA 0.166 4.693 4.527 -0.000 0.000 0.354 1566 F C 1.282 177.089 175.800 0.010 0.000 1.168 1566 F CA 2.434 60.452 58.000 0.030 0.000 1.368 1566 F CB 0.205 39.229 39.000 0.040 0.000 1.092 1566 F HN 0.824 nan 8.300 nan 0.000 0.612 1567 G N 3.613 111.718 108.800 -1.159 0.000 4.731 1567 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.266 1567 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.266 1567 G C -0.129 174.520 174.900 -0.419 0.000 1.635 1567 G CA -0.178 44.475 45.100 -0.746 0.000 1.229 1567 G HN 0.864 nan 8.290 nan 0.000 0.663 1568 N N 3.008 121.564 118.700 -0.240 0.000 2.223 1568 N HA -0.018 4.721 4.740 -0.000 0.000 0.271 1568 N C 0.783 176.194 175.510 -0.165 0.000 1.315 1568 N CA 0.657 53.610 53.050 -0.161 0.000 0.835 1568 N CB 0.094 38.512 38.487 -0.114 0.000 1.066 1568 N HN 0.509 nan 8.380 nan 0.000 0.486 1569 N N 0.850 119.466 118.700 -0.139 0.000 2.731 1569 N HA -0.163 4.576 4.740 -0.000 0.000 0.199 1569 N C -0.038 175.421 175.510 -0.085 0.000 1.206 1569 N CA 0.695 53.677 53.050 -0.114 0.000 0.955 1569 N CB -0.268 38.167 38.487 -0.087 0.000 0.997 1569 N HN 0.566 nan 8.380 nan 0.000 0.449 1570 D N 1.586 121.935 120.400 -0.085 0.000 2.451 1570 D HA -0.029 4.611 4.640 -0.000 0.000 0.254 1570 D C -1.161 175.115 176.300 -0.040 0.000 1.204 1570 D CA -1.431 52.527 54.000 -0.070 0.000 0.896 1570 D CB 1.177 41.928 40.800 -0.082 0.000 1.136 1570 D HN 0.162 nan 8.370 nan 0.000 0.499 1571 P HA -0.114 nan 4.420 nan 0.000 0.229 1571 P C 0.898 178.218 177.300 0.034 0.000 1.160 1571 P CA 0.531 63.634 63.100 0.004 0.000 0.777 1571 P CB 0.030 31.728 31.700 -0.004 0.000 0.814 1572 R N -0.236 120.270 120.500 0.010 0.000 2.328 1572 R HA 0.123 4.462 4.340 -0.000 0.000 0.200 1572 R C 0.898 177.306 176.300 0.179 0.000 0.983 1572 R CA 0.434 56.575 56.100 0.068 0.000 1.062 1572 R CB -0.613 29.642 30.300 -0.075 0.000 0.956 1572 R HN 0.110 nan 8.270 nan 0.000 0.479 1573 V N -0.039 119.965 119.914 0.149 0.000 3.137 1573 V HA -0.021 4.099 4.120 -0.000 0.000 0.236 1573 V C 1.046 177.285 176.094 0.242 0.000 1.260 1573 V CA 0.570 63.002 62.300 0.220 0.000 1.244 1573 V CB 0.383 32.346 31.823 0.234 0.000 1.016 1573 V HN 0.071 nan 8.190 nan 0.000 0.477 1574 D N 0.946 121.477 120.400 0.218 0.000 2.178 1574 D HA -0.156 4.484 4.640 -0.000 0.000 0.201 1574 D C 1.739 178.145 176.300 0.177 0.000 0.980 1574 D CA 1.279 55.431 54.000 0.253 0.000 0.842 1574 D CB -0.196 40.680 40.800 0.127 0.000 0.948 1574 D HN 0.361 nan 8.370 nan 0.000 0.472 1575 D N 0.087 120.563 120.400 0.127 0.000 2.178 1575 D HA -0.070 4.570 4.640 -0.000 0.000 0.201 1575 D C 2.285 178.650 176.300 0.107 0.000 0.980 1575 D CA 0.354 54.414 54.000 0.100 0.000 0.842 1575 D CB 0.053 40.902 40.800 0.082 0.000 0.948 1575 D HN 0.256 nan 8.370 nan 0.000 0.472 1576 L N 0.751 122.049 121.223 0.126 0.000 2.056 1576 L HA -0.142 4.198 4.340 -0.000 0.000 0.207 1576 L C 2.680 179.600 176.870 0.083 0.000 1.078 1576 L CA 1.005 55.917 54.840 0.120 0.000 0.749 1576 L CB -0.452 41.690 42.059 0.138 0.000 0.901 1576 L HN -0.043 nan 8.230 nan 0.000 0.433 1577 A N -0.066 122.804 122.820 0.082 0.000 1.865 1577 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 1577 A C 2.356 179.968 177.584 0.046 0.000 1.191 1577 A CA 2.024 54.074 52.037 0.020 0.000 0.623 1577 A CB -0.955 18.069 19.000 0.039 0.000 0.826 1577 A HN 0.171 nan 8.150 nan 0.000 0.444 1578 V N 0.710 120.674 119.914 0.084 0.000 2.255 1578 V HA -0.315 3.804 4.120 -0.000 0.000 0.247 1578 V C 2.410 178.544 176.094 0.066 0.000 1.051 1578 V CA 2.691 65.035 62.300 0.074 0.000 1.018 1578 V CB -0.972 30.896 31.823 0.076 0.000 0.641 1578 V HN 0.812 nan 8.190 nan 0.000 0.445 1579 D N -0.413 120.029 120.400 0.071 0.000 2.133 1579 D HA -0.239 4.401 4.640 -0.000 0.000 0.192 1579 D C 1.945 178.286 176.300 0.068 0.000 1.001 1579 D CA 1.674 55.717 54.000 0.072 0.000 0.844 1579 D CB -0.210 40.643 40.800 0.087 0.000 0.944 1579 D HN 0.215 nan 8.370 nan 0.000 0.447 1580 L N -0.012 121.243 121.223 0.055 0.000 1.989 1580 L HA -0.142 4.198 4.340 -0.000 0.000 0.211 1580 L C 2.595 179.504 176.870 0.066 0.000 1.071 1580 L CA 1.282 56.144 54.840 0.037 0.000 0.749 1580 L CB -0.837 41.214 42.059 -0.013 0.000 0.890 1580 L HN 0.100 nan 8.230 nan 0.000 0.431 1581 V N 0.460 120.410 119.914 0.060 0.000 2.255 1581 V HA -0.333 3.787 4.120 -0.000 0.000 0.247 1581 V C 2.520 178.693 176.094 0.132 0.000 1.051 1581 V CA 2.124 64.482 62.300 0.098 0.000 1.018 1581 V CB -1.019 30.848 31.823 0.073 0.000 0.641 1581 V HN 0.691 nan 8.190 nan 0.000 0.445 1582 E N 0.412 120.667 120.200 0.092 0.000 2.153 1582 E HA -0.260 4.090 4.350 -0.000 0.000 0.194 1582 E C 2.270 178.921 176.600 0.085 0.000 0.988 1582 E CA 1.256 57.702 56.400 0.076 0.000 0.811 1582 E CB -0.384 29.347 29.700 0.052 0.000 0.746 1582 E HN 0.510 nan 8.360 nan 0.000 0.466 1583 R N -0.189 120.374 120.500 0.104 0.000 2.083 1583 R HA -0.120 4.220 4.340 -0.000 0.000 0.237 1583 R C 2.179 178.573 176.300 0.157 0.000 1.137 1583 R CA 1.809 57.975 56.100 0.111 0.000 0.951 1583 R CB -0.456 29.911 30.300 0.112 0.000 0.851 1583 R HN 0.186 nan 8.270 nan 0.000 0.434 1584 F N 1.014 120.977 119.950 0.021 0.000 2.051 1584 F HA -0.218 4.309 4.527 -0.000 0.000 0.296 1584 F C 2.155 177.972 175.800 0.028 0.000 1.122 1584 F CA 1.517 59.532 58.000 0.026 0.000 1.201 1584 F CB -0.216 38.797 39.000 0.021 0.000 0.978 1584 F HN -0.091 nan 8.300 nan 0.000 0.472 1585 M N 0.189 119.815 119.600 0.042 0.000 2.144 1585 M HA -0.238 4.242 4.480 -0.000 0.000 0.260 1585 M C 2.190 178.433 176.300 -0.095 0.000 1.067 1585 M CA 1.574 56.832 55.300 -0.070 0.000 1.095 1585 M CB -1.411 31.199 32.600 0.016 0.000 1.365 1585 M HN 0.167 nan 8.290 nan 0.000 0.406 1586 K N 0.162 120.536 120.400 -0.043 0.000 2.057 1586 K HA -0.141 4.179 4.320 -0.000 0.000 0.206 1586 K C 2.059 178.612 176.600 -0.079 0.000 1.050 1586 K CA 1.030 57.290 56.287 -0.045 0.000 0.935 1586 K CB 0.210 32.704 32.500 -0.010 0.000 0.715 1586 K HN 0.069 nan 8.250 nan 0.000 0.439 1587 K N 0.714 121.059 120.400 -0.092 0.000 2.002 1587 K HA -0.126 4.193 4.320 -0.000 0.000 0.209 1587 K C 2.150 178.639 176.600 -0.184 0.000 1.048 1587 K CA 1.374 57.593 56.287 -0.114 0.000 0.930 1587 K CB -0.436 32.011 32.500 -0.088 0.000 0.714 1587 K HN 0.250 nan 8.250 nan 0.000 0.438 1588 I N 1.706 122.095 120.570 -0.302 0.000 2.127 1588 I HA -0.316 3.853 4.170 -0.000 0.000 0.241 1588 I C 2.243 178.245 176.117 -0.191 0.000 1.075 1588 I CA 1.388 62.507 61.300 -0.300 0.000 1.334 1588 I CB -0.339 37.423 38.000 -0.397 0.000 1.040 1588 I HN 0.258 nan 8.210 nan 0.000 0.405 1589 Q N 0.546 120.251 119.800 -0.159 0.000 2.515 1589 Q HA -0.192 4.147 4.340 -0.000 0.000 0.215 1589 Q C 1.557 177.480 176.000 -0.127 0.000 0.983 1589 Q CA 0.894 56.622 55.803 -0.125 0.000 0.905 1589 Q CB -0.101 28.578 28.738 -0.098 0.000 0.961 1589 Q HN 0.502 nan 8.270 nan 0.000 0.503 1590 K N -0.169 120.152 120.400 -0.131 0.000 2.393 1590 K HA 0.132 4.452 4.320 -0.000 0.000 0.193 1590 K C 0.135 176.633 176.600 -0.170 0.000 1.026 1590 K CA 0.089 56.296 56.287 -0.133 0.000 1.064 1590 K CB 0.441 32.879 32.500 -0.103 0.000 0.833 1590 K HN 0.096 nan 8.250 nan 0.000 0.521 1591 L N 0.340 121.465 121.223 -0.163 0.000 2.375 1591 L HA 0.287 4.627 4.340 -0.000 0.000 0.268 1591 L C -0.044 176.722 176.870 -0.172 0.000 1.058 1591 L CA -1.003 53.747 54.840 -0.152 0.000 0.803 1591 L CB 0.840 42.837 42.059 -0.104 0.000 1.212 1591 L HN 0.050 nan 8.230 nan 0.000 0.451 1592 H N -0.159 118.885 119.070 -0.043 0.000 2.767 1592 H HA 0.261 4.817 4.556 -0.000 0.000 0.316 1592 H C -0.106 175.215 175.328 -0.012 0.000 1.059 1592 H CA 0.005 56.038 56.048 -0.025 0.000 1.461 1592 H CB 0.828 30.581 29.762 -0.015 0.000 1.475 1592 H HN 0.561 nan 8.280 nan 0.000 0.531 1593 T N 0.698 115.322 114.554 0.117 0.000 2.888 1593 T HA 0.182 4.531 4.350 -0.000 0.000 0.284 1593 T C -0.432 174.370 174.700 0.170 0.000 1.017 1593 T CA -1.012 61.154 62.100 0.110 0.000 1.022 1593 T CB 0.947 69.849 68.868 0.056 0.000 1.013 1593 T HN 0.503 nan 8.240 nan 0.000 0.465 1594 Y N 2.827 123.187 120.300 0.100 0.000 2.811 1594 Y HA 0.108 4.657 4.550 -0.000 0.000 0.334 1594 Y C 1.559 177.580 175.900 0.202 0.000 1.247 1594 Y CA 0.261 58.447 58.100 0.144 0.000 1.526 1594 Y CB 0.222 38.768 38.460 0.144 0.000 1.284 1594 Y HN 1.053 nan 8.280 nan 0.000 0.586 1595 R N 3.148 123.328 120.500 -0.533 0.000 3.932 1595 R HA -0.296 4.043 4.340 -0.000 0.000 0.318 1595 R C -0.156 176.034 176.300 -0.182 0.000 1.219 1595 R CA 1.228 57.040 56.100 -0.480 0.000 0.889 1595 R CB -1.443 28.422 30.300 -0.725 0.000 1.309 1595 R HN 1.016 nan 8.270 nan 0.000 0.537 1596 D N -2.911 117.445 120.400 -0.073 0.000 2.911 1596 D HA -0.217 4.422 4.640 -0.000 0.000 0.227 1596 D C -0.042 176.228 176.300 -0.050 0.000 1.164 1596 D CA 1.517 55.498 54.000 -0.032 0.000 0.782 1596 D CB -1.306 39.470 40.800 -0.039 0.000 1.094 1596 D HN 0.618 nan 8.370 nan 0.000 0.425 1597 A N 0.442 123.239 122.820 -0.037 0.000 2.492 1597 A HA 0.393 4.713 4.320 -0.000 0.000 0.254 1597 A C 0.827 178.380 177.584 -0.052 0.000 1.091 1597 A CA -0.126 51.862 52.037 -0.082 0.000 0.768 1597 A CB 0.165 19.114 19.000 -0.085 0.000 1.028 1597 A HN 0.293 nan 8.150 nan 0.000 0.498 1598 I N 4.426 124.951 120.570 -0.075 0.000 2.556 1598 I HA 0.162 4.331 4.170 -0.000 0.000 0.284 1598 I C -2.052 174.027 176.117 -0.063 0.000 1.114 1598 I CA -1.540 59.720 61.300 -0.067 0.000 1.418 1598 I CB 0.773 38.731 38.000 -0.070 0.000 1.394 1598 I HN 0.405 nan 8.210 nan 0.000 0.552 1599 P HA 0.108 nan 4.420 nan 0.000 0.271 1599 P C -0.424 176.849 177.300 -0.045 0.000 1.216 1599 P CA -0.067 62.997 63.100 -0.061 0.000 0.771 1599 P CB 0.785 32.433 31.700 -0.086 0.000 0.864 1600 T N 0.084 114.624 114.554 -0.023 0.000 2.804 1600 T HA 0.792 5.141 4.350 -0.000 0.000 0.290 1600 T C -1.230 173.487 174.700 0.027 0.000 1.099 1600 T CA -0.712 61.382 62.100 -0.009 0.000 1.011 1600 T CB 1.792 70.651 68.868 -0.015 0.000 1.291 1600 T HN 0.387 nan 8.240 nan 0.000 0.523 1601 Q N -0.507 119.316 119.800 0.037 0.000 2.435 1601 Q HA 0.678 5.018 4.340 -0.000 0.000 0.282 1601 Q C -0.705 175.329 176.000 0.057 0.000 1.020 1601 Q CA -0.542 55.302 55.803 0.067 0.000 0.820 1601 Q CB 1.427 30.220 28.738 0.090 0.000 1.436 1601 Q HN 0.808 nan 8.270 nan 0.000 0.395 1602 S N -0.105 115.637 115.700 0.071 0.000 2.952 1602 S HA 0.168 4.638 4.470 -0.000 0.000 0.251 1602 S C 0.492 175.133 174.600 0.068 0.000 1.021 1602 S CA 0.249 58.487 58.200 0.064 0.000 1.067 1602 S CB 0.609 63.852 63.200 0.071 0.000 1.002 1602 S HN 0.472 nan 8.310 nan 0.000 0.574 1603 V N 1.130 121.086 119.914 0.071 0.000 2.649 1603 V HA 0.465 4.585 4.120 -0.000 0.000 0.248 1603 V C 0.404 176.539 176.094 0.068 0.000 1.054 1603 V CA 1.086 63.427 62.300 0.068 0.000 1.073 1603 V CB 0.236 32.094 31.823 0.059 0.000 0.699 1603 V HN 0.703 nan 8.190 nan 0.000 0.463 1604 L N -0.115 121.147 121.223 0.065 0.000 2.476 1604 L HA 0.540 4.880 4.340 -0.000 0.000 0.269 1604 L C -0.853 176.050 176.870 0.055 0.000 0.965 1604 L CA -0.177 54.705 54.840 0.070 0.000 0.845 1604 L CB 2.066 44.169 42.059 0.073 0.000 1.259 1604 L HN -0.023 nan 8.230 nan 0.000 0.403 1605 T N 5.232 119.817 114.554 0.051 0.000 2.855 1605 T HA 0.581 4.931 4.350 -0.000 0.000 0.281 1605 T C -0.865 173.854 174.700 0.031 0.000 1.007 1605 T CA -0.249 61.872 62.100 0.034 0.000 1.009 1605 T CB 1.697 70.584 68.868 0.030 0.000 0.983 1605 T HN 0.417 nan 8.240 nan 0.000 0.455 1606 I N 3.634 124.216 120.570 0.020 0.000 2.406 1606 I HA 0.582 4.752 4.170 -0.000 0.000 0.290 1606 I C -0.465 175.656 176.117 0.006 0.000 0.999 1606 I CA -0.089 61.221 61.300 0.016 0.000 1.124 1606 I CB 1.489 39.499 38.000 0.017 0.000 1.289 1606 I HN 0.767 nan 8.210 nan 0.000 0.441 1607 T N 2.113 116.670 114.554 0.005 0.000 3.032 1607 T HA 0.445 4.795 4.350 -0.000 0.000 0.312 1607 T C -0.572 174.125 174.700 -0.004 0.000 1.078 1607 T CA -0.793 61.306 62.100 -0.000 0.000 1.028 1607 T CB 1.094 69.964 68.868 0.004 0.000 1.091 1607 T HN 0.590 nan 8.240 nan 0.000 0.457 1608 S N 2.832 118.528 115.700 -0.008 0.000 2.411 1608 S HA 0.417 4.887 4.470 -0.000 0.000 0.304 1608 S C -0.400 174.188 174.600 -0.020 0.000 1.098 1608 S CA -0.719 57.473 58.200 -0.014 0.000 1.068 1608 S CB -0.681 62.512 63.200 -0.012 0.000 1.032 1608 S HN 0.646 nan 8.310 nan 0.000 0.511 1609 N N 1.751 120.433 118.700 -0.029 0.000 2.430 1609 N HA 0.502 5.242 4.740 -0.000 0.000 0.292 1609 N C -0.592 174.866 175.510 -0.085 0.000 1.051 1609 N CA -0.695 52.329 53.050 -0.043 0.000 0.917 1609 N CB 1.809 40.278 38.487 -0.031 0.000 1.164 1609 N HN 0.655 nan 8.380 nan 0.000 0.484 1610 V N 0.386 120.224 119.914 -0.126 0.000 2.370 1610 V HA 0.679 4.799 4.120 -0.000 0.000 0.283 1610 V C -0.081 175.756 176.094 -0.429 0.000 1.023 1610 V CA -0.617 61.529 62.300 -0.258 0.000 0.857 1610 V CB 0.900 32.571 31.823 -0.255 0.000 0.985 1610 V HN 0.242 nan 8.190 nan 0.000 0.443 1611 V N 5.013 124.663 119.914 -0.441 0.000 3.093 1611 V HA 0.615 4.735 4.120 -0.000 0.000 0.320 1611 V C -0.923 174.796 176.094 -0.625 0.000 1.093 1611 V CA -0.636 61.420 62.300 -0.406 0.000 1.016 1611 V CB 2.071 33.800 31.823 -0.157 0.000 1.096 1611 V HN 0.858 nan 8.190 nan 0.000 0.452 1612 Y N 0.505 120.816 120.300 0.019 0.000 2.346 1612 Y HA 0.660 5.210 4.550 -0.000 0.000 0.332 1612 Y C 0.718 176.628 175.900 0.015 0.000 0.985 1612 Y CA -0.354 57.756 58.100 0.016 0.000 1.112 1612 Y CB 1.639 40.109 38.460 0.016 0.000 1.170 1612 Y HN 0.765 nan 8.280 nan 0.000 0.447 1613 G N 0.660 109.549 108.800 0.148 0.000 2.514 1613 G HA2 0.370 4.330 3.960 -0.000 0.000 0.245 1613 G HA3 0.370 4.330 3.960 -0.000 0.000 0.245 1613 G C 0.391 175.342 174.900 0.084 0.000 1.488 1613 G CA -0.157 44.996 45.100 0.088 0.000 1.063 1613 G HN 1.021 nan 8.290 nan 0.000 0.557 1614 K N -2.357 118.076 120.400 0.055 0.000 3.311 1614 K HA 0.328 4.648 4.320 -0.000 0.000 0.270 1614 K C 0.427 177.054 176.600 0.044 0.000 0.927 1614 K CA 2.975 59.287 56.287 0.042 0.000 0.706 1614 K CB -2.634 29.889 32.500 0.038 0.000 1.418 1614 K HN 2.313 nan 8.250 nan 0.000 0.459 1615 K N 0.000 120.428 120.400 0.047 0.000 2.780 1615 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1615 K CA 0.000 nan 56.287 nan 0.000 0.838 1615 K CB 0.000 nan 32.500 nan 0.000 1.064 1615 K HN 0.000 nan 8.250 nan 0.000 0.543