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 3myr_1_H DATA FIRST_RESID 1003 DATA SEQUENCE ERIVVDPITR IEGHLRIEAQ MDGATIAQAY SSGTMVRGIE TILKGRDPRD DATA SEQUENCE AWAFVQRICG VCTLVHGIAS VRAVEDALRI ELPLNAQLIR NLMIGAQYIH DATA SEQUENCE DHVMHFYHLH ALDWVDVVSA LSADPRATSE LAQSISAWPK SSPGYFADTQ DATA SEQUENCE KRIKTFVESG QLGIFANGYW GHPAYRLPPE ANLMAVAHYL EALAWQRDTA DATA SEQUENCE KFHAIFGGKN PHPNFVVGGV PSPIDLDSDS ALNAKRLAEV RNLIQSMRTF DATA SEQUENCE VDQVYVPDTL AIAGFYKDWG ERGEGLGNFL CYGDLPTGAS LDPATFLFPR DATA SEQUENCE GAILDRDLST IHEVDLEATG EIQEFVNHSW YEYSVGNDRG LHPYEGQTNL DATA SEQUENCE EYDRRGGVAP PYKQLDVSDG YSWLKAPRWK GRSVEVGPLA RVLMLYATGH DATA SEQUENCE DQARELVDST LSRLDLPVDA LYSTLGRTAA RALESKILVD AMQGWYDGLI DATA SEQUENCE ANVKSGDTKT FNETLWEPSS WPSRAQGVGI MEAPRGALGH WIVIEDGRIA DATA SEQUENCE NYQAVVPSTW NAGPRDGRGQ AGAYEAALQD NHQLVDVKQP IEILRTIHSF DATA SEQUENCE DPCIACAVH 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 1003 E HA 0.000 nan 4.350 nan 0.000 0.291 1003 E C 0.000 176.597 176.600 -0.006 0.000 1.382 1003 E CA 0.000 56.392 56.400 -0.014 0.000 0.976 1003 E CB 0.000 29.688 29.700 -0.020 0.000 0.812 1004 R N 0.691 121.185 120.500 -0.010 0.000 2.531 1004 R HA 0.387 4.727 4.340 -0.001 0.000 0.273 1004 R C 0.275 176.585 176.300 0.017 0.000 1.070 1004 R CA -0.687 55.417 56.100 0.008 0.000 1.112 1004 R CB 0.348 30.651 30.300 0.005 0.000 1.049 1004 R HN 0.247 nan 8.270 nan 0.000 0.508 1005 I N 2.153 122.737 120.570 0.023 0.000 2.648 1005 I HA 0.020 4.189 4.170 -0.001 0.000 0.284 1005 I C 0.213 176.352 176.117 0.036 0.000 1.153 1005 I CA 0.117 61.431 61.300 0.023 0.000 1.426 1005 I CB 0.625 38.635 38.000 0.016 0.000 1.381 1005 I HN 0.262 nan 8.210 nan 0.000 0.571 1006 V N 6.994 126.932 119.914 0.039 0.000 2.448 1006 V HA 0.402 4.521 4.120 -0.001 0.000 0.295 1006 V C -0.098 176.028 176.094 0.053 0.000 1.025 1006 V CA -0.694 61.640 62.300 0.057 0.000 0.859 1006 V CB 2.160 34.023 31.823 0.067 0.000 0.988 1006 V HN 0.422 nan 8.190 nan 0.000 0.431 1007 V N 3.619 123.571 119.914 0.063 0.000 2.325 1007 V HA 0.564 4.684 4.120 -0.001 0.000 0.280 1007 V C -0.824 175.324 176.094 0.089 0.000 1.016 1007 V CA -0.276 62.062 62.300 0.064 0.000 0.818 1007 V CB 1.293 33.141 31.823 0.043 0.000 1.019 1007 V HN 0.914 nan 8.190 nan 0.000 0.434 1008 D N 5.496 125.952 120.400 0.092 0.000 2.616 1008 D HA 0.457 5.097 4.640 -0.001 0.000 0.238 1008 D C -2.456 173.900 176.300 0.094 0.000 1.354 1008 D CA -0.758 53.308 54.000 0.110 0.000 0.970 1008 D CB 2.909 43.779 40.800 0.117 0.000 1.369 1008 D HN 0.410 nan 8.370 nan 0.000 0.585 1009 P HA 0.391 nan 4.420 nan 0.000 0.284 1009 P C -0.077 177.295 177.300 0.119 0.000 1.253 1009 P CA -0.641 62.539 63.100 0.134 0.000 0.800 1009 P CB 1.139 32.925 31.700 0.143 0.000 0.961 1010 I N 2.966 123.609 120.570 0.123 0.000 2.517 1010 I HA 0.041 4.211 4.170 -0.001 0.000 0.285 1010 I C 1.424 177.624 176.117 0.137 0.000 1.106 1010 I CA 0.448 61.812 61.300 0.107 0.000 1.402 1010 I CB 0.074 38.125 38.000 0.085 0.000 1.399 1010 I HN 0.525 nan 8.210 nan 0.000 0.535 1011 T N 3.456 118.105 114.554 0.157 0.000 2.923 1011 T HA 0.522 4.872 4.350 -0.001 0.000 0.281 1011 T C 0.625 175.466 174.700 0.235 0.000 0.995 1011 T CA -0.852 61.342 62.100 0.156 0.000 0.985 1011 T CB 1.283 70.217 68.868 0.110 0.000 1.114 1011 T HN 0.612 nan 8.240 nan 0.000 0.548 1012 R N -0.088 120.491 120.500 0.131 0.000 3.423 1012 R HA -0.131 4.208 4.340 -0.001 0.000 0.271 1012 R C -0.091 176.255 176.300 0.076 0.000 1.093 1012 R CA 0.868 56.988 56.100 0.034 0.000 0.730 1012 R CB -2.208 28.002 30.300 -0.151 0.000 1.190 1012 R HN 0.813 nan 8.270 nan 0.000 0.437 1013 I N -4.786 115.884 120.570 0.166 0.000 3.343 1013 I HA 0.546 4.715 4.170 -0.001 0.000 0.315 1013 I C -0.272 175.925 176.117 0.133 0.000 1.153 1013 I CA -1.190 60.228 61.300 0.196 0.000 0.952 1013 I CB 1.909 40.048 38.000 0.231 0.000 1.287 1013 I HN -0.221 nan 8.210 nan 0.000 0.472 1014 E N 1.614 121.897 120.200 0.139 0.000 2.167 1014 E HA 0.565 4.914 4.350 -0.001 0.000 0.284 1014 E C 0.046 176.684 176.600 0.064 0.000 1.016 1014 E CA 0.822 57.281 56.400 0.098 0.000 0.817 1014 E CB 1.055 30.833 29.700 0.130 0.000 1.080 1014 E HN 1.018 nan 8.360 nan 0.000 0.397 1015 G N 4.181 112.949 108.800 -0.054 0.000 2.548 1015 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.208 1015 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.208 1015 G C -1.096 173.651 174.900 -0.255 0.000 1.308 1015 G CA -0.527 44.469 45.100 -0.173 0.000 0.924 1015 G HN 0.720 nan 8.290 nan 0.000 0.540 1016 H N -0.572 118.593 119.070 0.158 0.000 2.661 1016 H HA 0.619 5.174 4.556 -0.001 0.000 0.290 1016 H C -0.032 175.414 175.328 0.197 0.000 1.082 1016 H CA -0.412 55.735 56.048 0.166 0.000 1.234 1016 H CB 1.369 31.226 29.762 0.158 0.000 1.387 1016 H HN 0.564 nan 8.280 nan 0.000 0.476 1017 L N 2.906 124.285 121.223 0.261 0.000 2.362 1017 L HA 0.512 4.852 4.340 -0.001 0.000 0.275 1017 L C -0.782 176.221 176.870 0.222 0.000 0.998 1017 L CA -0.704 54.282 54.840 0.243 0.000 0.820 1017 L CB 1.513 43.706 42.059 0.223 0.000 1.270 1017 L HN 0.558 nan 8.230 nan 0.000 0.415 1018 R N 5.378 126.017 120.500 0.231 0.000 2.599 1018 R HA 0.694 5.033 4.340 -0.001 0.000 0.295 1018 R C -1.668 174.741 176.300 0.182 0.000 0.963 1018 R CA -0.707 55.517 56.100 0.206 0.000 0.883 1018 R CB 1.275 31.727 30.300 0.253 0.000 1.171 1018 R HN 0.615 nan 8.270 nan 0.000 0.450 1019 I N 3.361 124.014 120.570 0.138 0.000 2.433 1019 I HA 0.351 4.521 4.170 -0.001 0.000 0.292 1019 I C -0.293 175.887 176.117 0.104 0.000 1.001 1019 I CA -0.583 60.786 61.300 0.116 0.000 1.119 1019 I CB 1.871 39.912 38.000 0.068 0.000 1.289 1019 I HN 0.718 nan 8.210 nan 0.000 0.438 1020 E N 4.311 124.582 120.200 0.119 0.000 2.199 1020 E HA 0.752 5.102 4.350 -0.001 0.000 0.269 1020 E C -0.951 175.737 176.600 0.146 0.000 0.899 1020 E CA -0.867 55.598 56.400 0.109 0.000 0.772 1020 E CB 2.933 32.669 29.700 0.061 0.000 1.155 1020 E HN 0.673 nan 8.360 nan 0.000 0.408 1021 A N 2.657 125.533 122.820 0.094 0.000 2.343 1021 A HA 0.307 4.627 4.320 -0.001 0.000 0.308 1021 A C -0.789 176.838 177.584 0.072 0.000 1.092 1021 A CA -0.729 51.350 52.037 0.071 0.000 0.751 1021 A CB 1.505 20.516 19.000 0.020 0.000 1.203 1021 A HN 0.471 nan 8.150 nan 0.000 0.452 1022 Q N 2.931 122.787 119.800 0.093 0.000 2.323 1022 Q HA 0.428 4.767 4.340 -0.001 0.000 0.257 1022 Q C -0.466 175.551 176.000 0.028 0.000 1.022 1022 Q CA 0.229 56.071 55.803 0.064 0.000 0.919 1022 Q CB 0.212 29.006 28.738 0.094 0.000 1.220 1022 Q HN 0.629 nan 8.270 nan 0.000 0.427 1023 M N 2.498 122.110 119.600 0.020 0.000 2.314 1023 M HA 0.285 4.764 4.480 -0.001 0.000 0.342 1023 M C -0.577 175.728 176.300 0.009 0.000 1.171 1023 M CA -0.527 54.781 55.300 0.012 0.000 1.098 1023 M CB 1.112 33.718 32.600 0.011 0.000 1.559 1023 M HN 0.573 nan 8.290 nan 0.000 0.459 1024 D N 1.385 121.789 120.400 0.006 0.000 2.446 1024 D HA 0.517 5.156 4.640 -0.001 0.000 0.251 1024 D C 0.840 177.141 176.300 0.003 0.000 1.137 1024 D CA 0.658 54.660 54.000 0.003 0.000 0.890 1024 D CB 0.642 41.443 40.800 0.001 0.000 1.071 1024 D HN 0.851 nan 8.370 nan 0.000 0.528 1025 G N 3.516 112.317 108.800 0.003 0.000 2.629 1025 G HA2 -0.334 3.626 3.960 -0.001 0.000 0.313 1025 G HA3 -0.334 3.626 3.960 -0.001 0.000 0.313 1025 G C 1.037 175.940 174.900 0.005 0.000 1.217 1025 G CA 0.828 45.929 45.100 0.002 0.000 0.994 1025 G HN 1.013 nan 8.290 nan 0.000 0.549 1026 A N -0.701 122.123 122.820 0.005 0.000 2.275 1026 A HA 0.569 4.889 4.320 -0.001 0.000 0.212 1026 A C 1.261 178.854 177.584 0.015 0.000 1.201 1026 A CA 1.806 53.849 52.037 0.010 0.000 0.843 1026 A CB -0.024 18.981 19.000 0.009 0.000 0.873 1026 A HN 0.979 nan 8.150 nan 0.000 0.492 1027 T N 0.715 115.277 114.554 0.012 0.000 2.882 1027 T HA 0.462 4.812 4.350 -0.001 0.000 0.287 1027 T C 0.057 174.768 174.700 0.020 0.000 0.992 1027 T CA -0.080 62.030 62.100 0.018 0.000 1.076 1027 T CB 0.957 69.830 68.868 0.008 0.000 0.961 1027 T HN 0.213 nan 8.240 nan 0.000 0.490 1028 I N 2.942 123.531 120.570 0.032 0.000 2.436 1028 I HA 0.180 4.349 4.170 -0.001 0.000 0.289 1028 I C 1.247 177.360 176.117 -0.006 0.000 1.083 1028 I CA -0.239 61.068 61.300 0.012 0.000 1.372 1028 I CB 0.899 38.902 38.000 0.005 0.000 1.408 1028 I HN 0.811 nan 8.210 nan 0.000 0.516 1029 A N 6.368 129.179 122.820 -0.015 0.000 1.901 1029 A HA 0.153 4.473 4.320 -0.001 0.000 0.210 1029 A C 0.829 178.376 177.584 -0.061 0.000 1.208 1029 A CA 0.755 52.777 52.037 -0.024 0.000 0.644 1029 A CB 0.308 19.302 19.000 -0.010 0.000 0.863 1029 A HN 0.638 nan 8.150 nan 0.000 0.454 1030 Q N -1.265 118.486 119.800 -0.081 0.000 2.359 1030 Q HA 0.690 5.030 4.340 -0.001 0.000 0.274 1030 Q C -1.218 174.609 176.000 -0.289 0.000 1.074 1030 Q CA -0.281 55.393 55.803 -0.216 0.000 0.810 1030 Q CB 2.013 30.631 28.738 -0.200 0.000 1.342 1030 Q HN 0.397 nan 8.270 nan 0.000 0.427 1031 A N 1.991 124.521 122.820 -0.483 0.000 2.413 1031 A HA 0.862 5.182 4.320 -0.001 0.000 0.307 1031 A C -1.706 175.462 177.584 -0.693 0.000 1.087 1031 A CA -0.461 51.354 52.037 -0.370 0.000 0.750 1031 A CB 1.167 20.048 19.000 -0.199 0.000 1.296 1031 A HN 0.597 nan 8.150 nan 0.000 0.423 1032 Y N 0.185 120.417 120.300 -0.113 0.000 2.406 1032 Y HA 0.590 5.139 4.550 -0.001 0.000 0.340 1032 Y C 0.472 176.373 175.900 0.001 0.000 0.975 1032 Y CA -0.405 57.602 58.100 -0.156 0.000 1.056 1032 Y CB 2.558 40.747 38.460 -0.451 0.000 1.210 1032 Y HN 0.600 nan 8.280 nan 0.000 0.448 1033 S N 2.324 118.181 115.700 0.263 0.000 2.437 1033 S HA 0.656 5.125 4.470 -0.001 0.000 0.305 1033 S C -0.842 173.911 174.600 0.256 0.000 1.109 1033 S CA -0.366 57.963 58.200 0.215 0.000 1.099 1033 S CB 0.831 64.097 63.200 0.109 0.000 1.004 1033 S HN 0.606 nan 8.310 nan 0.000 0.475 1034 S N 3.660 119.496 115.700 0.227 0.000 2.647 1034 S HA 0.686 5.156 4.470 -0.001 0.000 0.300 1034 S C -0.085 174.653 174.600 0.231 0.000 1.129 1034 S CA -0.474 57.849 58.200 0.206 0.000 1.029 1034 S CB 0.923 64.283 63.200 0.267 0.000 1.007 1034 S HN 0.984 nan 8.310 nan 0.000 0.484 1035 G N 2.022 110.952 108.800 0.216 0.000 2.325 1035 G HA2 0.456 4.416 3.960 -0.001 0.000 0.298 1035 G HA3 0.456 4.416 3.960 -0.001 0.000 0.298 1035 G C 0.565 175.777 174.900 0.521 0.000 1.134 1035 G CA -0.274 45.020 45.100 0.322 0.000 0.876 1035 G HN 0.910 nan 8.290 nan 0.000 0.452 1036 T N 0.216 115.082 114.554 0.521 0.000 3.296 1036 T HA 0.475 4.825 4.350 -0.001 0.000 0.285 1036 T C 0.254 175.204 174.700 0.417 0.000 1.014 1036 T CA -0.501 61.958 62.100 0.598 0.000 0.920 1036 T CB -0.008 69.128 68.868 0.447 0.000 1.143 1036 T HN 0.444 nan 8.240 nan 0.000 0.522 1037 M N 1.660 121.467 119.600 0.346 0.000 2.371 1037 M HA 0.646 5.126 4.480 -0.001 0.000 0.287 1037 M C -2.302 173.907 176.300 -0.150 0.000 1.149 1037 M CA -0.824 54.486 55.300 0.015 0.000 0.929 1037 M CB 2.238 34.862 32.600 0.040 0.000 1.683 1037 M HN 0.081 nan 8.290 nan 0.000 0.470 1038 V N 6.019 125.631 119.914 -0.503 0.000 2.876 1038 V HA 0.634 4.753 4.120 -0.001 0.000 0.312 1038 V C -0.099 175.789 176.094 -0.344 0.000 1.085 1038 V CA -0.241 61.743 62.300 -0.527 0.000 0.945 1038 V CB 2.616 33.746 31.823 -1.154 0.000 1.017 1038 V HN 1.073 nan 8.190 nan 0.000 0.428 1039 R N 3.261 123.647 120.500 -0.191 0.000 2.412 1039 R HA 0.376 4.716 4.340 -0.001 0.000 0.212 1039 R C 1.162 177.412 176.300 -0.082 0.000 0.878 1039 R CA 0.563 56.593 56.100 -0.117 0.000 1.022 1039 R CB 0.878 31.154 30.300 -0.040 0.000 1.265 1039 R HN 1.263 nan 8.270 nan 0.000 0.620 1040 G N 1.932 110.701 108.800 -0.051 0.000 2.272 1040 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.280 1040 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.280 1040 G C 0.575 175.493 174.900 0.030 0.000 1.067 1040 G CA 0.244 45.349 45.100 0.009 0.000 0.902 1040 G HN 0.250 nan 8.290 nan 0.000 0.500 1041 I N -0.356 120.241 120.570 0.045 0.000 2.264 1041 I HA -0.165 4.005 4.170 -0.001 0.000 0.248 1041 I C 2.608 178.720 176.117 -0.009 0.000 1.111 1041 I CA 1.893 63.209 61.300 0.028 0.000 1.382 1041 I CB -0.220 37.796 38.000 0.026 0.000 1.060 1041 I HN 0.462 nan 8.210 nan 0.000 0.418 1042 E N 0.287 120.514 120.200 0.045 0.000 2.070 1042 E HA -0.228 4.121 4.350 -0.001 0.000 0.197 1042 E C 2.143 178.753 176.600 0.017 0.000 1.004 1042 E CA 2.088 58.514 56.400 0.042 0.000 0.805 1042 E CB -0.222 29.554 29.700 0.127 0.000 0.744 1042 E HN 0.458 nan 8.360 nan 0.000 0.451 1043 T N 0.981 115.554 114.554 0.031 0.000 2.777 1043 T HA -0.106 4.244 4.350 -0.001 0.000 0.266 1043 T C 1.940 176.628 174.700 -0.020 0.000 1.040 1043 T CA 0.893 63.004 62.100 0.018 0.000 1.141 1043 T CB -0.201 68.687 68.868 0.035 0.000 0.868 1043 T HN 0.109 nan 8.240 nan 0.000 0.444 1044 I N 0.892 121.446 120.570 -0.027 0.000 2.264 1044 I HA -0.162 4.008 4.170 -0.001 0.000 0.248 1044 I C 2.154 178.167 176.117 -0.173 0.000 1.111 1044 I CA 1.195 62.466 61.300 -0.049 0.000 1.382 1044 I CB -0.425 37.590 38.000 0.026 0.000 1.060 1044 I HN 0.209 nan 8.210 nan 0.000 0.418 1045 L N 0.323 121.403 121.223 -0.239 0.000 2.191 1045 L HA -0.143 4.197 4.340 -0.001 0.000 0.212 1045 L C 1.153 177.883 176.870 -0.233 0.000 1.103 1045 L CA 0.827 55.439 54.840 -0.380 0.000 0.769 1045 L CB -0.518 41.301 42.059 -0.399 0.000 0.908 1045 L HN 0.150 nan 8.230 nan 0.000 0.438 1046 K N 0.294 120.624 120.400 -0.116 0.000 2.489 1046 K HA 0.100 4.420 4.320 -0.001 0.000 0.278 1046 K C 1.126 177.684 176.600 -0.070 0.000 1.000 1046 K CA 0.737 56.991 56.287 -0.055 0.000 1.012 1046 K CB 0.327 32.816 32.500 -0.019 0.000 0.903 1046 K HN 0.266 nan 8.250 nan 0.000 0.485 1047 G N 2.413 111.189 108.800 -0.040 0.000 2.205 1047 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.261 1047 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.261 1047 G C 0.208 175.075 174.900 -0.055 0.000 0.980 1047 G CA 0.131 45.210 45.100 -0.035 0.000 0.632 1047 G HN 0.592 nan 8.290 nan 0.000 0.533 1048 R N 0.257 120.692 120.500 -0.107 0.000 2.549 1048 R HA 0.460 4.800 4.340 -0.001 0.000 0.259 1048 R C -0.354 175.910 176.300 -0.060 0.000 1.095 1048 R CA -0.594 55.422 56.100 -0.140 0.000 1.148 1048 R CB 0.427 30.519 30.300 -0.347 0.000 1.181 1048 R HN 0.183 nan 8.270 nan 0.000 0.571 1049 D N 0.934 121.314 120.400 -0.035 0.000 2.348 1049 D HA 0.066 4.705 4.640 -0.001 0.000 0.253 1049 D C -1.728 174.623 176.300 0.085 0.000 1.161 1049 D CA -1.855 52.179 54.000 0.057 0.000 0.876 1049 D CB 1.461 42.288 40.800 0.046 0.000 1.160 1049 D HN 0.123 nan 8.370 nan 0.000 0.459 1050 P HA -0.047 nan 4.420 nan 0.000 0.222 1050 P C 1.041 178.448 177.300 0.177 0.000 1.147 1050 P CA 0.864 64.046 63.100 0.136 0.000 0.790 1050 P CB 0.261 31.984 31.700 0.038 0.000 0.780 1051 R N -0.621 120.006 120.500 0.212 0.000 2.189 1051 R HA -0.089 4.251 4.340 -0.001 0.000 0.223 1051 R C 1.062 177.563 176.300 0.336 0.000 1.092 1051 R CA 1.134 57.395 56.100 0.268 0.000 0.989 1051 R CB -0.494 29.847 30.300 0.069 0.000 0.876 1051 R HN 0.226 nan 8.270 nan 0.000 0.457 1052 D N 0.007 120.504 120.400 0.162 0.000 2.346 1052 D HA 0.077 4.717 4.640 -0.001 0.000 0.206 1052 D C 1.604 177.865 176.300 -0.065 0.000 1.001 1052 D CA 0.582 54.606 54.000 0.040 0.000 0.871 1052 D CB 0.088 40.947 40.800 0.098 0.000 0.943 1052 D HN 0.147 nan 8.370 nan 0.000 0.518 1053 A N 1.770 124.602 122.820 0.020 0.000 1.948 1053 A HA -0.177 4.143 4.320 -0.001 0.000 0.220 1053 A C 2.085 179.690 177.584 0.035 0.000 1.177 1053 A CA 1.452 53.467 52.037 -0.037 0.000 0.636 1053 A CB -1.266 17.748 19.000 0.024 0.000 0.815 1053 A HN 0.577 nan 8.150 nan 0.000 0.449 1054 W N -0.641 120.785 121.300 0.209 0.000 2.342 1054 W HA -0.073 4.587 4.660 -0.001 0.000 0.297 1054 W C 1.897 178.524 176.519 0.180 0.000 1.213 1054 W CA 1.273 58.734 57.345 0.193 0.000 1.251 1054 W CB -1.112 28.465 29.460 0.194 0.000 1.136 1054 W HN 0.385 nan 8.180 nan 0.000 0.526 1055 A N 0.865 123.064 122.820 -1.034 0.000 1.930 1055 A HA -0.052 4.268 4.320 -0.001 0.000 0.217 1055 A C 1.851 179.146 177.584 -0.482 0.000 1.175 1055 A CA 1.331 52.709 52.037 -1.097 0.000 0.627 1055 A CB -1.287 16.887 19.000 -1.376 0.000 0.815 1055 A HN 0.224 nan 8.150 nan 0.000 0.443 1056 F N 0.247 119.964 119.950 -0.388 0.000 2.051 1056 F HA -0.182 4.344 4.527 -0.001 0.000 0.296 1056 F C 2.600 178.278 175.800 -0.203 0.000 1.122 1056 F CA 2.111 59.956 58.000 -0.259 0.000 1.201 1056 F CB -0.732 38.113 39.000 -0.258 0.000 0.978 1056 F HN 0.154 nan 8.300 nan 0.000 0.472 1057 V N -1.659 118.280 119.914 0.042 0.000 2.809 1057 V HA -0.206 3.914 4.120 -0.001 0.000 0.256 1057 V C 1.941 178.074 176.094 0.064 0.000 1.080 1057 V CA 1.620 63.919 62.300 -0.001 0.000 1.102 1057 V CB -1.137 30.695 31.823 0.015 0.000 0.705 1057 V HN 0.501 nan 8.190 nan 0.000 0.475 1058 Q N 0.578 120.446 119.800 0.114 0.000 2.181 1058 Q HA -0.208 4.132 4.340 -0.001 0.000 0.205 1058 Q C 2.040 178.015 176.000 -0.043 0.000 0.980 1058 Q CA 1.721 57.606 55.803 0.136 0.000 0.862 1058 Q CB -0.017 28.832 28.738 0.185 0.000 0.905 1058 Q HN 0.523 nan 8.270 nan 0.000 0.429 1059 R N 0.051 120.438 120.500 -0.188 0.000 2.328 1059 R HA 0.133 4.473 4.340 -0.001 0.000 0.200 1059 R C 1.571 177.866 176.300 -0.008 0.000 0.983 1059 R CA 0.202 56.207 56.100 -0.159 0.000 1.062 1059 R CB -0.260 29.919 30.300 -0.202 0.000 0.956 1059 R HN 0.396 nan 8.270 nan 0.000 0.479 1060 I N -1.276 119.264 120.570 -0.050 0.000 2.194 1060 I HA -0.307 3.863 4.170 -0.001 0.000 0.246 1060 I C 0.649 176.812 176.117 0.076 0.000 1.093 1060 I CA 1.016 62.273 61.300 -0.072 0.000 1.355 1060 I CB 0.018 37.761 38.000 -0.427 0.000 1.046 1060 I HN 0.159 nan 8.210 nan 0.000 0.413 1061 C N -0.316 119.101 119.300 0.194 0.000 2.931 1061 C HA 0.511 4.970 4.460 -0.001 0.000 0.370 1061 C C 1.120 176.335 174.990 0.376 0.000 1.071 1061 C CA -0.559 58.623 59.018 0.273 0.000 1.266 1061 C CB 0.994 28.906 27.740 0.286 0.000 1.691 1061 C HN 0.518 nan 8.230 nan 0.000 0.511 1062 G N 2.667 111.623 108.800 0.260 0.000 2.986 1062 G HA2 0.193 4.152 3.960 -0.001 0.000 0.213 1062 G HA3 0.193 4.152 3.960 -0.001 0.000 0.213 1062 G C 0.970 175.910 174.900 0.067 0.000 1.156 1062 G CA 1.009 46.151 45.100 0.070 0.000 0.763 1062 G HN 0.689 nan 8.290 nan 0.000 0.547 1063 V N 1.247 121.243 119.914 0.137 0.000 2.300 1063 V HA -0.081 4.039 4.120 -0.001 0.000 0.241 1063 V C 2.315 178.504 176.094 0.160 0.000 1.034 1063 V CA 1.441 63.828 62.300 0.145 0.000 1.021 1063 V CB -0.512 31.404 31.823 0.154 0.000 0.662 1063 V HN 0.576 nan 8.190 nan 0.000 0.458 1064 C N 1.340 120.742 119.300 0.170 0.000 3.305 1064 C HA 0.384 4.844 4.460 -0.001 0.000 0.566 1064 C C 1.183 176.297 174.990 0.205 0.000 1.178 1064 C CA -1.023 58.083 59.018 0.148 0.000 1.317 1064 C CB -2.521 25.277 27.740 0.097 0.000 1.634 1064 C HN 0.454 nan 8.230 nan 0.000 0.643 1065 T N 0.594 115.278 114.554 0.216 0.000 2.791 1065 T HA 0.194 4.544 4.350 -0.001 0.000 0.323 1065 T C 1.107 175.968 174.700 0.268 0.000 1.082 1065 T CA 1.295 63.575 62.100 0.301 0.000 1.084 1065 T CB 0.193 69.192 68.868 0.219 0.000 0.992 1065 T HN 1.505 nan 8.240 nan 0.000 0.547 1066 L N 2.116 123.529 121.223 0.318 0.000 3.737 1066 L HA -0.286 4.054 4.340 -0.001 0.000 0.370 1066 L C 1.810 178.642 176.870 -0.062 0.000 0.709 1066 L CA 2.329 57.290 54.840 0.201 0.000 2.983 1066 L CB -1.981 40.194 42.059 0.192 0.000 0.704 1066 L HN 0.650 nan 8.230 nan 0.000 0.728 1067 V N -2.854 117.051 119.914 -0.015 0.000 2.407 1067 V HA -0.227 3.892 4.120 -0.001 0.000 0.248 1067 V C 2.305 178.242 176.094 -0.263 0.000 1.055 1067 V CA 2.102 64.301 62.300 -0.168 0.000 1.049 1067 V CB -1.083 30.621 31.823 -0.197 0.000 0.662 1067 V HN 0.700 nan 8.190 nan 0.000 0.455 1068 H N 0.948 120.010 119.070 -0.013 0.000 2.470 1068 H HA 0.122 4.677 4.556 -0.001 0.000 0.289 1068 H C 2.422 177.739 175.328 -0.019 0.000 1.033 1068 H CA 1.365 57.434 56.048 0.035 0.000 1.331 1068 H CB -0.301 29.604 29.762 0.238 0.000 1.414 1068 H HN 0.595 nan 8.280 nan 0.000 0.545 1069 G N 1.717 110.498 108.800 -0.032 0.000 2.421 1069 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.216 1069 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.216 1069 G C 1.742 176.294 174.900 -0.581 0.000 1.171 1069 G CA 0.425 45.366 45.100 -0.266 0.000 0.775 1069 G HN 0.174 nan 8.290 nan 0.000 0.543 1070 I N 1.915 122.012 120.570 -0.787 0.000 2.127 1070 I HA -0.185 3.984 4.170 -0.001 0.000 0.241 1070 I C 3.331 179.263 176.117 -0.308 0.000 1.075 1070 I CA 1.450 62.437 61.300 -0.522 0.000 1.334 1070 I CB -1.325 36.441 38.000 -0.389 0.000 1.040 1070 I HN 0.273 nan 8.210 nan 0.000 0.405 1071 A N -0.008 122.599 122.820 -0.354 0.000 1.940 1071 A HA -0.245 4.074 4.320 -0.001 0.000 0.219 1071 A C 2.631 180.029 177.584 -0.309 0.000 1.176 1071 A CA 2.351 54.124 52.037 -0.439 0.000 0.631 1071 A CB -0.806 17.699 19.000 -0.825 0.000 0.814 1071 A HN 0.446 nan 8.150 nan 0.000 0.446 1072 S N -0.540 115.092 115.700 -0.113 0.000 2.345 1072 S HA -0.140 4.329 4.470 -0.001 0.000 0.220 1072 S C 2.085 176.801 174.600 0.194 0.000 1.031 1072 S CA 2.006 60.381 58.200 0.292 0.000 0.996 1072 S CB -0.802 62.700 63.200 0.504 0.000 0.882 1072 S HN 0.958 nan 8.310 nan 0.000 0.445 1073 V N 0.564 120.554 119.914 0.126 0.000 2.407 1073 V HA -0.060 4.059 4.120 -0.001 0.000 0.248 1073 V C 2.313 178.427 176.094 0.033 0.000 1.055 1073 V CA 1.768 64.136 62.300 0.114 0.000 1.049 1073 V CB -1.064 30.802 31.823 0.072 0.000 0.662 1073 V HN 0.356 nan 8.190 nan 0.000 0.455 1074 R N 0.932 121.410 120.500 -0.036 0.000 2.096 1074 R HA -0.007 4.332 4.340 -0.001 0.000 0.235 1074 R C 2.541 178.801 176.300 -0.067 0.000 1.127 1074 R CA 1.558 57.620 56.100 -0.062 0.000 0.968 1074 R CB -0.662 29.577 30.300 -0.103 0.000 0.861 1074 R HN 0.645 nan 8.270 nan 0.000 0.440 1075 A N 0.424 123.208 122.820 -0.061 0.000 1.898 1075 A HA -0.081 4.239 4.320 -0.001 0.000 0.216 1075 A C 2.297 179.843 177.584 -0.062 0.000 1.181 1075 A CA 1.156 53.139 52.037 -0.089 0.000 0.620 1075 A CB -0.338 18.602 19.000 -0.098 0.000 0.819 1075 A HN 0.108 nan 8.150 nan 0.000 0.442 1076 V N 0.093 119.997 119.914 -0.017 0.000 2.358 1076 V HA -0.235 3.885 4.120 -0.001 0.000 0.246 1076 V C 2.334 178.368 176.094 -0.101 0.000 1.047 1076 V CA 2.226 64.486 62.300 -0.067 0.000 1.035 1076 V CB -0.869 30.944 31.823 -0.017 0.000 0.658 1076 V HN 0.633 nan 8.190 nan 0.000 0.452 1077 E N 0.014 120.186 120.200 -0.046 0.000 2.153 1077 E HA -0.251 4.099 4.350 -0.001 0.000 0.194 1077 E C 1.901 178.464 176.600 -0.062 0.000 0.988 1077 E CA 1.448 57.819 56.400 -0.048 0.000 0.811 1077 E CB -0.162 29.528 29.700 -0.018 0.000 0.746 1077 E HN 0.673 nan 8.360 nan 0.000 0.466 1078 D N 0.200 120.562 120.400 -0.064 0.000 2.123 1078 D HA -0.087 4.553 4.640 -0.001 0.000 0.200 1078 D C 1.898 178.161 176.300 -0.062 0.000 0.976 1078 D CA 1.354 55.319 54.000 -0.058 0.000 0.831 1078 D CB -0.019 40.741 40.800 -0.068 0.000 0.974 1078 D HN 0.140 nan 8.370 nan 0.000 0.469 1079 A N -0.266 122.504 122.820 -0.083 0.000 1.933 1079 A HA -0.052 4.267 4.320 -0.001 0.000 0.218 1079 A C 1.778 179.286 177.584 -0.126 0.000 1.175 1079 A CA 0.925 52.905 52.037 -0.095 0.000 0.628 1079 A CB -0.362 18.565 19.000 -0.122 0.000 0.814 1079 A HN 0.336 nan 8.150 nan 0.000 0.444 1080 L N -0.862 120.262 121.223 -0.166 0.000 2.640 1080 L HA 0.189 4.528 4.340 -0.001 0.000 0.230 1080 L C 0.275 177.090 176.870 -0.091 0.000 1.123 1080 L CA 0.314 55.042 54.840 -0.186 0.000 0.900 1080 L CB -0.502 41.355 42.059 -0.337 0.000 1.146 1080 L HN 0.423 nan 8.230 nan 0.000 0.484 1081 R N 0.209 120.669 120.500 -0.066 0.000 3.188 1081 R HA -0.201 4.139 4.340 -0.001 0.000 0.247 1081 R C -0.356 175.926 176.300 -0.031 0.000 0.918 1081 R CA 0.509 56.586 56.100 -0.039 0.000 0.629 1081 R CB -2.911 27.375 30.300 -0.025 0.000 1.087 1081 R HN 0.265 nan 8.270 nan 0.000 0.462 1082 I N 1.476 122.025 120.570 -0.036 0.000 2.331 1082 I HA 0.139 4.309 4.170 -0.001 0.000 0.292 1082 I C 0.937 177.036 176.117 -0.030 0.000 0.998 1082 I CA -0.486 60.797 61.300 -0.028 0.000 1.267 1082 I CB 1.315 39.302 38.000 -0.021 0.000 1.386 1082 I HN -0.036 nan 8.210 nan 0.000 0.476 1083 E N 5.679 125.859 120.200 -0.032 0.000 2.259 1083 E HA 0.309 4.659 4.350 -0.001 0.000 0.281 1083 E C -0.700 175.874 176.600 -0.043 0.000 1.027 1083 E CA -0.812 55.569 56.400 -0.031 0.000 0.838 1083 E CB 1.978 31.662 29.700 -0.025 0.000 1.066 1083 E HN 0.287 nan 8.360 nan 0.000 0.401 1084 L N 5.270 126.472 121.223 -0.034 0.000 2.350 1084 L HA 0.277 4.616 4.340 -0.001 0.000 0.275 1084 L C -2.164 174.684 176.870 -0.036 0.000 1.099 1084 L CA -1.644 53.173 54.840 -0.038 0.000 0.808 1084 L CB 0.467 42.509 42.059 -0.027 0.000 1.149 1084 L HN 0.275 nan 8.230 nan 0.000 0.442 1085 P HA -0.008 nan 4.420 nan 0.000 0.269 1085 P C 1.039 178.325 177.300 -0.024 0.000 1.215 1085 P CA -0.155 62.929 63.100 -0.028 0.000 0.780 1085 P CB 0.583 32.270 31.700 -0.021 0.000 0.898 1086 L N 1.928 123.141 121.223 -0.018 0.000 2.042 1086 L HA -0.244 4.095 4.340 -0.001 0.000 0.210 1086 L C 1.637 178.491 176.870 -0.027 0.000 1.076 1086 L CA 1.890 56.720 54.840 -0.017 0.000 0.749 1086 L CB -0.385 41.670 42.059 -0.006 0.000 0.893 1086 L HN 0.357 nan 8.230 nan 0.000 0.432 1087 N N 0.225 118.910 118.700 -0.025 0.000 2.223 1087 N HA -0.150 4.589 4.740 -0.001 0.000 0.185 1087 N C 1.743 177.216 175.510 -0.062 0.000 1.016 1087 N CA 1.443 54.471 53.050 -0.036 0.000 0.863 1087 N CB -0.264 38.211 38.487 -0.020 0.000 0.983 1087 N HN 0.439 nan 8.380 nan 0.000 0.429 1088 A N 0.741 123.532 122.820 -0.048 0.000 1.897 1088 A HA -0.146 4.174 4.320 -0.001 0.000 0.215 1088 A C 2.254 179.786 177.584 -0.087 0.000 1.181 1088 A CA 1.314 53.317 52.037 -0.057 0.000 0.620 1088 A CB -0.588 18.402 19.000 -0.016 0.000 0.821 1088 A HN 0.195 nan 8.150 nan 0.000 0.443 1089 Q N -0.076 119.677 119.800 -0.079 0.000 2.096 1089 Q HA -0.084 4.256 4.340 -0.001 0.000 0.204 1089 Q C 1.873 177.765 176.000 -0.180 0.000 0.982 1089 Q CA 1.701 57.438 55.803 -0.110 0.000 0.850 1089 Q CB -0.459 28.233 28.738 -0.077 0.000 0.901 1089 Q HN 0.667 nan 8.270 nan 0.000 0.422 1090 L N -0.616 120.519 121.223 -0.147 0.000 2.056 1090 L HA -0.136 4.203 4.340 -0.001 0.000 0.207 1090 L C 2.243 178.989 176.870 -0.207 0.000 1.078 1090 L CA 0.897 55.641 54.840 -0.159 0.000 0.749 1090 L CB -0.363 41.676 42.059 -0.034 0.000 0.901 1090 L HN 0.280 nan 8.230 nan 0.000 0.433 1091 I N -0.572 119.851 120.570 -0.246 0.000 2.226 1091 I HA -0.285 3.884 4.170 -0.001 0.000 0.245 1091 I C 2.732 178.662 176.117 -0.312 0.000 1.100 1091 I CA 1.238 62.279 61.300 -0.431 0.000 1.374 1091 I CB -0.251 37.427 38.000 -0.537 0.000 1.057 1091 I HN 0.185 nan 8.210 nan 0.000 0.413 1092 R N 0.645 121.018 120.500 -0.212 0.000 2.081 1092 R HA -0.132 4.208 4.340 -0.001 0.000 0.235 1092 R C 2.067 178.243 176.300 -0.207 0.000 1.131 1092 R CA 1.737 57.757 56.100 -0.134 0.000 0.960 1092 R CB -0.511 29.731 30.300 -0.096 0.000 0.856 1092 R HN 0.499 nan 8.270 nan 0.000 0.436 1093 N N 0.549 119.009 118.700 -0.400 0.000 2.069 1093 N HA -0.187 4.552 4.740 -0.001 0.000 0.191 1093 N C 1.847 177.054 175.510 -0.505 0.000 1.031 1093 N CA 1.021 53.610 53.050 -0.767 0.000 0.852 1093 N CB -0.143 37.354 38.487 -1.649 0.000 1.018 1093 N HN 0.123 nan 8.380 nan 0.000 0.423 1094 L N 0.674 121.794 121.223 -0.172 0.000 2.012 1094 L HA -0.189 4.150 4.340 -0.001 0.000 0.210 1094 L C 2.427 179.466 176.870 0.281 0.000 1.073 1094 L CA 1.269 56.251 54.840 0.237 0.000 0.748 1094 L CB -0.307 41.972 42.059 0.367 0.000 0.891 1094 L HN 0.270 nan 8.230 nan 0.000 0.431 1095 M N -0.861 118.898 119.600 0.266 0.000 2.159 1095 M HA -0.212 4.268 4.480 -0.001 0.000 0.263 1095 M C 2.238 178.752 176.300 0.356 0.000 1.063 1095 M CA 1.733 57.288 55.300 0.425 0.000 1.110 1095 M CB -0.296 32.446 32.600 0.238 0.000 1.374 1095 M HN 0.191 nan 8.290 nan 0.000 0.411 1096 I N -0.225 120.441 120.570 0.161 0.000 2.226 1096 I HA -0.189 3.980 4.170 -0.001 0.000 0.245 1096 I C 2.574 178.846 176.117 0.258 0.000 1.100 1096 I CA 1.446 62.854 61.300 0.180 0.000 1.374 1096 I CB -0.815 37.212 38.000 0.045 0.000 1.057 1096 I HN 0.355 nan 8.210 nan 0.000 0.413 1097 G N 0.211 109.111 108.800 0.167 0.000 2.408 1097 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.217 1097 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.217 1097 G C 1.836 176.825 174.900 0.148 0.000 1.150 1097 G CA 0.726 45.945 45.100 0.198 0.000 0.776 1097 G HN 0.481 nan 8.290 nan 0.000 0.542 1098 A N 0.182 123.018 122.820 0.027 0.000 1.969 1098 A HA -0.020 4.299 4.320 -0.001 0.000 0.218 1098 A C 2.274 179.859 177.584 0.002 0.000 1.169 1098 A CA 2.158 54.093 52.037 -0.170 0.000 0.635 1098 A CB -0.346 18.335 19.000 -0.531 0.000 0.810 1098 A HN 0.415 nan 8.150 nan 0.000 0.445 1099 Q N -1.000 118.914 119.800 0.190 0.000 2.016 1099 Q HA -0.175 4.164 4.340 -0.001 0.000 0.200 1099 Q C 1.720 177.834 176.000 0.191 0.000 0.978 1099 Q CA 2.060 58.000 55.803 0.227 0.000 0.833 1099 Q CB -0.690 28.249 28.738 0.336 0.000 0.895 1099 Q HN 0.647 nan 8.270 nan 0.000 0.427 1100 Y N 0.123 120.438 120.300 0.026 0.000 2.114 1100 Y HA -0.237 4.312 4.550 -0.001 0.000 0.282 1100 Y C 2.079 177.915 175.900 -0.107 0.000 1.165 1100 Y CA 1.863 59.875 58.100 -0.148 0.000 1.148 1100 Y CB -0.195 38.218 38.460 -0.078 0.000 0.972 1100 Y HN 0.166 nan 8.280 nan 0.000 0.504 1101 I N -1.589 119.140 120.570 0.265 0.000 2.233 1101 I HA -0.322 3.847 4.170 -0.001 0.000 0.243 1101 I C 2.603 178.968 176.117 0.415 0.000 1.093 1101 I CA 1.456 62.955 61.300 0.331 0.000 1.380 1101 I CB -0.595 37.601 38.000 0.328 0.000 1.067 1101 I HN 0.324 nan 8.210 nan 0.000 0.413 1102 H N 1.007 120.222 119.070 0.242 0.000 2.290 1102 H HA -0.250 4.306 4.556 -0.001 0.000 0.298 1102 H C 1.822 177.274 175.328 0.206 0.000 1.087 1102 H CA 2.305 58.464 56.048 0.186 0.000 1.291 1102 H CB -0.109 29.628 29.762 -0.041 0.000 1.369 1102 H HN 0.285 nan 8.280 nan 0.000 0.492 1103 D N -0.394 120.184 120.400 0.297 0.000 2.084 1103 D HA -0.149 4.490 4.640 -0.001 0.000 0.194 1103 D C 2.196 178.657 176.300 0.268 0.000 0.990 1103 D CA 1.082 55.225 54.000 0.238 0.000 0.826 1103 D CB -0.257 40.611 40.800 0.113 0.000 0.971 1103 D HN 0.450 nan 8.370 nan 0.000 0.453 1104 H N -0.002 119.167 119.070 0.164 0.000 2.319 1104 H HA -0.061 4.494 4.556 -0.001 0.000 0.299 1104 H C 2.418 177.695 175.328 -0.085 0.000 1.092 1104 H CA 0.831 56.965 56.048 0.143 0.000 1.302 1104 H CB -0.701 29.221 29.762 0.266 0.000 1.373 1104 H HN 0.048 nan 8.280 nan 0.000 0.497 1105 V N 0.884 120.762 119.914 -0.061 0.000 2.343 1105 V HA -0.270 3.850 4.120 -0.001 0.000 0.247 1105 V C 2.573 178.625 176.094 -0.070 0.000 1.051 1105 V CA 1.814 63.916 62.300 -0.330 0.000 1.036 1105 V CB -0.506 31.198 31.823 -0.198 0.000 0.654 1105 V HN 0.349 nan 8.190 nan 0.000 0.451 1106 M N -1.283 118.333 119.600 0.027 0.000 2.200 1106 M HA -0.132 4.347 4.480 -0.001 0.000 0.265 1106 M C 2.282 178.602 176.300 0.033 0.000 1.066 1106 M CA 1.577 56.912 55.300 0.058 0.000 1.127 1106 M CB -0.743 31.937 32.600 0.132 0.000 1.379 1106 M HN 0.490 nan 8.290 nan 0.000 0.420 1107 H N 0.184 119.286 119.070 0.054 0.000 2.289 1107 H HA -0.249 4.306 4.556 -0.001 0.000 0.296 1107 H C 2.040 177.390 175.328 0.037 0.000 1.091 1107 H CA 2.366 58.454 56.048 0.066 0.000 1.274 1107 H CB -0.397 29.436 29.762 0.119 0.000 1.364 1107 H HN 0.372 nan 8.280 nan 0.000 0.490 1108 F N 0.480 120.310 119.950 -0.201 0.000 2.102 1108 F HA -0.270 4.256 4.527 -0.001 0.000 0.298 1108 F C 2.023 177.567 175.800 -0.427 0.000 1.105 1108 F CA 1.641 59.472 58.000 -0.282 0.000 1.239 1108 F CB -0.493 38.324 39.000 -0.305 0.000 0.991 1108 F HN 0.104 nan 8.300 nan 0.000 0.474 1109 Y N -0.713 119.364 120.300 -0.371 0.000 2.176 1109 Y HA -0.100 4.449 4.550 -0.001 0.000 0.291 1109 Y C 2.545 178.136 175.900 -0.515 0.000 1.122 1109 Y CA 2.154 59.939 58.100 -0.524 0.000 1.128 1109 Y CB -0.986 37.060 38.460 -0.691 0.000 1.005 1109 Y HN 0.135 nan 8.280 nan 0.000 0.509 1110 H N -1.526 117.452 119.070 -0.152 0.000 2.497 1110 H HA 0.124 4.680 4.556 -0.001 0.000 0.282 1110 H C 1.657 176.932 175.328 -0.088 0.000 1.003 1110 H CA 0.876 56.789 56.048 -0.225 0.000 1.307 1110 H CB 0.225 29.822 29.762 -0.275 0.000 1.437 1110 H HN 0.196 nan 8.280 nan 0.000 0.544 1111 L N -1.064 120.074 121.223 -0.142 0.000 2.349 1111 L HA 0.034 4.374 4.340 -0.001 0.000 0.200 1111 L C 2.170 178.782 176.870 -0.429 0.000 1.064 1111 L CA 0.526 55.206 54.840 -0.266 0.000 0.821 1111 L CB -0.079 41.833 42.059 -0.246 0.000 1.027 1111 L HN 0.267 nan 8.230 nan 0.000 0.476 1112 H N 0.613 119.309 119.070 -0.624 0.000 2.399 1112 H HA 0.171 4.726 4.556 -0.001 0.000 0.300 1112 H C 2.091 177.254 175.328 -0.276 0.000 1.048 1112 H CA 0.916 56.685 56.048 -0.464 0.000 1.370 1112 H CB 0.228 29.757 29.762 -0.388 0.000 1.428 1112 H HN 0.191 nan 8.280 nan 0.000 0.534 1113 A N 0.884 123.542 122.820 -0.270 0.000 1.978 1113 A HA -0.106 4.214 4.320 -0.001 0.000 0.220 1113 A C 2.369 179.956 177.584 0.004 0.000 1.170 1113 A CA 1.254 53.149 52.037 -0.236 0.000 0.636 1113 A CB -0.939 17.867 19.000 -0.322 0.000 0.810 1113 A HN 0.437 nan 8.150 nan 0.000 0.448 1114 L N -0.306 120.942 121.223 0.041 0.000 2.633 1114 L HA -0.104 4.235 4.340 -0.001 0.000 0.235 1114 L C 0.974 177.883 176.870 0.066 0.000 1.163 1114 L CA 0.501 55.419 54.840 0.129 0.000 0.859 1114 L CB -0.426 41.747 42.059 0.190 0.000 0.973 1114 L HN 0.278 nan 8.230 nan 0.000 0.451 1115 D N -1.189 119.101 120.400 -0.184 0.000 2.347 1115 D HA -0.087 4.553 4.640 -0.001 0.000 0.213 1115 D C 1.459 177.338 176.300 -0.701 0.000 0.985 1115 D CA 0.930 54.614 54.000 -0.526 0.000 0.879 1115 D CB 0.129 40.422 40.800 -0.845 0.000 0.919 1115 D HN 0.397 nan 8.370 nan 0.000 0.526 1116 W N -0.191 121.054 121.300 -0.092 0.000 2.835 1116 W HA 0.243 4.902 4.660 -0.001 0.000 0.278 1116 W C 0.056 176.728 176.519 0.255 0.000 1.075 1116 W CA -0.153 57.097 57.345 -0.158 0.000 1.439 1116 W CB 0.866 30.083 29.460 -0.406 0.000 0.927 1116 W HN -0.371 nan 8.180 nan 0.000 0.604 1117 V N 2.099 122.250 119.914 0.395 0.000 2.417 1117 V HA 0.229 4.349 4.120 -0.001 0.000 0.291 1117 V C -0.801 175.246 176.094 -0.079 0.000 1.024 1117 V CA -0.536 61.849 62.300 0.142 0.000 0.861 1117 V CB 1.629 33.493 31.823 0.068 0.000 0.985 1117 V HN -0.164 nan 8.190 nan 0.000 0.436 1118 D N 3.703 123.872 120.400 -0.385 0.000 2.454 1118 D HA 0.209 4.849 4.640 -0.001 0.000 0.225 1118 D C 0.913 176.874 176.300 -0.566 0.000 1.081 1118 D CA -0.371 53.263 54.000 -0.610 0.000 0.864 1118 D CB 1.940 42.273 40.800 -0.778 0.000 1.040 1118 D HN 0.362 nan 8.370 nan 0.000 0.517 1119 V N 2.465 121.805 119.914 -0.957 0.000 2.626 1119 V HA -0.129 3.991 4.120 -0.001 0.000 0.252 1119 V C 1.815 177.433 176.094 -0.793 0.000 1.067 1119 V CA 0.953 62.672 62.300 -0.967 0.000 1.081 1119 V CB -0.627 30.361 31.823 -1.392 0.000 0.686 1119 V HN 0.372 nan 8.190 nan 0.000 0.468 1120 V N 0.842 120.247 119.914 -0.849 0.000 2.379 1120 V HA -0.187 3.933 4.120 -0.001 0.000 0.245 1120 V C 2.944 178.859 176.094 -0.299 0.000 1.044 1120 V CA 2.336 64.333 62.300 -0.505 0.000 1.036 1120 V CB -0.509 31.088 31.823 -0.377 0.000 0.664 1120 V HN 0.718 nan 8.190 nan 0.000 0.453 1121 S N 0.361 115.898 115.700 -0.271 0.000 2.399 1121 S HA -0.184 4.286 4.470 -0.001 0.000 0.231 1121 S C 2.145 176.627 174.600 -0.197 0.000 1.022 1121 S CA 1.513 59.598 58.200 -0.191 0.000 0.983 1121 S CB -0.348 62.748 63.200 -0.174 0.000 0.803 1121 S HN 0.599 nan 8.310 nan 0.000 0.480 1122 A N 1.736 124.407 122.820 -0.247 0.000 1.997 1122 A HA -0.055 4.264 4.320 -0.001 0.000 0.221 1122 A C 2.124 179.608 177.584 -0.167 0.000 1.172 1122 A CA 1.672 53.582 52.037 -0.212 0.000 0.645 1122 A CB -0.917 17.939 19.000 -0.240 0.000 0.813 1122 A HN 0.636 nan 8.150 nan 0.000 0.454 1123 L N -0.564 120.558 121.223 -0.168 0.000 2.353 1123 L HA -0.116 4.223 4.340 -0.001 0.000 0.220 1123 L C 2.225 179.042 176.870 -0.090 0.000 1.133 1123 L CA 1.173 55.943 54.840 -0.117 0.000 0.798 1123 L CB -0.295 41.696 42.059 -0.115 0.000 0.922 1123 L HN 0.296 nan 8.230 nan 0.000 0.445 1124 S N -0.555 115.087 115.700 -0.097 0.000 2.524 1124 S HA 0.232 4.702 4.470 -0.001 0.000 0.216 1124 S C 1.079 175.634 174.600 -0.075 0.000 0.987 1124 S CA 0.022 58.178 58.200 -0.075 0.000 0.909 1124 S CB 0.057 63.215 63.200 -0.071 0.000 0.781 1124 S HN 0.372 nan 8.310 nan 0.000 0.521 1125 A N 2.041 124.804 122.820 -0.094 0.000 2.483 1125 A HA 0.212 4.532 4.320 -0.001 0.000 0.238 1125 A C -0.054 177.486 177.584 -0.073 0.000 1.070 1125 A CA -0.193 51.784 52.037 -0.100 0.000 0.770 1125 A CB -0.014 18.904 19.000 -0.138 0.000 1.008 1125 A HN 0.314 nan 8.150 nan 0.000 0.497 1126 D N 2.097 122.458 120.400 -0.066 0.000 2.317 1126 D HA 0.377 5.016 4.640 -0.001 0.000 0.252 1126 D C -1.728 174.546 176.300 -0.043 0.000 1.174 1126 D CA -1.464 52.511 54.000 -0.042 0.000 0.866 1126 D CB 1.052 41.833 40.800 -0.032 0.000 1.127 1126 D HN 0.144 nan 8.370 nan 0.000 0.467 1127 P HA -0.165 nan 4.420 nan 0.000 0.215 1127 P C 1.156 178.500 177.300 0.073 0.000 1.153 1127 P CA 0.988 64.120 63.100 0.052 0.000 0.853 1127 P CB 0.186 31.945 31.700 0.097 0.000 0.788 1128 R N 0.401 120.935 120.500 0.057 0.000 2.081 1128 R HA -0.041 4.298 4.340 -0.001 0.000 0.235 1128 R C 2.029 178.344 176.300 0.025 0.000 1.131 1128 R CA 1.895 58.033 56.100 0.063 0.000 0.960 1128 R CB -1.463 28.865 30.300 0.046 0.000 0.856 1128 R HN 0.043 nan 8.270 nan 0.000 0.436 1129 A N -0.750 122.061 122.820 -0.014 0.000 1.969 1129 A HA -0.083 4.237 4.320 -0.001 0.000 0.218 1129 A C 2.097 179.623 177.584 -0.096 0.000 1.169 1129 A CA 1.836 53.849 52.037 -0.039 0.000 0.635 1129 A CB -0.802 18.172 19.000 -0.043 0.000 0.810 1129 A HN 0.484 nan 8.150 nan 0.000 0.445 1130 T N -0.643 113.803 114.554 -0.180 0.000 2.777 1130 T HA -0.124 4.225 4.350 -0.001 0.000 0.266 1130 T C 2.262 176.705 174.700 -0.428 0.000 1.040 1130 T CA 1.600 63.450 62.100 -0.418 0.000 1.141 1130 T CB -0.354 68.090 68.868 -0.707 0.000 0.868 1130 T HN 0.535 nan 8.240 nan 0.000 0.444 1131 S N 0.982 116.608 115.700 -0.122 0.000 2.370 1131 S HA -0.196 4.274 4.470 -0.001 0.000 0.226 1131 S C 2.027 176.705 174.600 0.131 0.000 1.033 1131 S CA 1.627 59.968 58.200 0.235 0.000 1.011 1131 S CB -0.311 63.083 63.200 0.323 0.000 0.852 1131 S HN 0.573 nan 8.310 nan 0.000 0.457 1132 E N 0.542 120.775 120.200 0.054 0.000 2.106 1132 E HA -0.049 4.300 4.350 -0.001 0.000 0.192 1132 E C 2.131 178.755 176.600 0.039 0.000 0.984 1132 E CA 0.983 57.413 56.400 0.049 0.000 0.806 1132 E CB -0.250 29.468 29.700 0.028 0.000 0.750 1132 E HN 0.453 nan 8.360 nan 0.000 0.458 1133 L N 0.695 121.918 121.223 -0.001 0.000 1.976 1133 L HA -0.219 4.121 4.340 -0.001 0.000 0.209 1133 L C 2.438 179.336 176.870 0.046 0.000 1.071 1133 L CA 1.608 56.450 54.840 0.004 0.000 0.746 1133 L CB -0.472 41.558 42.059 -0.049 0.000 0.890 1133 L HN 0.164 nan 8.230 nan 0.000 0.432 1134 A N -0.519 122.335 122.820 0.057 0.000 1.892 1134 A HA -0.314 4.006 4.320 -0.001 0.000 0.218 1134 A C 2.034 179.737 177.584 0.198 0.000 1.188 1134 A CA 2.139 54.292 52.037 0.193 0.000 0.631 1134 A CB -0.665 18.580 19.000 0.409 0.000 0.822 1134 A HN 0.684 nan 8.150 nan 0.000 0.447 1135 Q N -0.199 119.704 119.800 0.171 0.000 2.230 1135 Q HA -0.091 4.249 4.340 -0.001 0.000 0.202 1135 Q C 2.279 178.334 176.000 0.091 0.000 0.963 1135 Q CA 1.402 57.287 55.803 0.136 0.000 0.866 1135 Q CB -0.179 28.630 28.738 0.117 0.000 0.931 1135 Q HN 0.869 nan 8.270 nan 0.000 0.452 1136 S N 0.558 116.302 115.700 0.075 0.000 2.481 1136 S HA -0.058 4.412 4.470 -0.001 0.000 0.231 1136 S C 1.775 176.402 174.600 0.046 0.000 0.996 1136 S CA 0.637 58.867 58.200 0.050 0.000 0.942 1136 S CB -0.363 62.860 63.200 0.038 0.000 0.768 1136 S HN 0.559 nan 8.310 nan 0.000 0.520 1137 I N -1.958 118.650 120.570 0.063 0.000 4.018 1137 I HA 0.485 4.655 4.170 -0.001 0.000 0.337 1137 I C 0.287 176.429 176.117 0.042 0.000 1.327 1137 I CA -0.483 60.844 61.300 0.044 0.000 1.100 1137 I CB 0.511 38.539 38.000 0.046 0.000 1.025 1137 I HN 0.261 nan 8.210 nan 0.000 0.396 1138 S N 0.192 115.935 115.700 0.071 0.000 2.567 1138 S HA 0.683 5.153 4.470 -0.001 0.000 0.270 1138 S C 0.106 174.767 174.600 0.101 0.000 1.152 1138 S CA 0.025 58.269 58.200 0.073 0.000 0.835 1138 S CB 1.702 64.954 63.200 0.086 0.000 1.115 1138 S HN 0.226 nan 8.310 nan 0.000 0.459 1139 A N 2.324 125.199 122.820 0.091 0.000 2.251 1139 A HA 0.240 4.560 4.320 -0.001 0.000 0.209 1139 A C 0.719 178.380 177.584 0.128 0.000 1.187 1139 A CA -0.440 51.648 52.037 0.085 0.000 0.823 1139 A CB -0.369 18.661 19.000 0.050 0.000 0.846 1139 A HN 0.813 nan 8.150 nan 0.000 0.486 1140 W N 1.509 122.776 121.300 -0.055 0.000 2.409 1140 W HA 0.010 4.670 4.660 -0.001 0.000 0.338 1140 W C -2.196 174.285 176.519 -0.064 0.000 1.273 1140 W CA -0.880 56.415 57.345 -0.084 0.000 1.299 1140 W CB 0.584 29.959 29.460 -0.141 0.000 1.192 1140 W HN 0.162 nan 8.180 nan 0.000 0.565 1141 P HA -0.115 nan 4.420 nan 0.000 0.216 1141 P C -0.225 176.741 177.300 -0.556 0.000 1.153 1141 P CA 1.806 64.603 63.100 -0.506 0.000 0.844 1141 P CB 0.119 31.478 31.700 -0.568 0.000 0.787 1142 K N 0.505 120.334 120.400 -0.952 0.000 2.127 1142 K HA 0.215 4.535 4.320 -0.001 0.000 0.261 1142 K C 0.253 176.522 176.600 -0.551 0.000 1.129 1142 K CA 0.251 56.048 56.287 -0.817 0.000 0.993 1142 K CB -0.307 31.641 32.500 -0.921 0.000 1.410 1142 K HN 0.117 nan 8.250 nan 0.000 0.380 1143 S N -1.191 114.309 115.700 -0.334 0.000 2.998 1143 S HA -0.019 4.450 4.470 -0.001 0.000 0.256 1143 S C 0.385 175.060 174.600 0.126 0.000 0.970 1143 S CA -0.729 57.497 58.200 0.043 0.000 1.238 1143 S CB 0.017 63.390 63.200 0.289 0.000 1.170 1143 S HN 0.360 nan 8.310 nan 0.000 0.663 1144 S N 1.885 117.570 115.700 -0.025 0.000 2.579 1144 S HA 0.408 4.878 4.470 -0.001 0.000 0.275 1144 S C -1.675 173.058 174.600 0.222 0.000 1.345 1144 S CA -0.594 57.660 58.200 0.091 0.000 1.031 1144 S CB 0.531 63.747 63.200 0.027 0.000 0.892 1144 S HN 0.017 nan 8.310 nan 0.000 0.529 1145 P HA -0.031 nan 4.420 nan 0.000 0.215 1145 P C 1.749 179.161 177.300 0.186 0.000 1.157 1145 P CA 1.795 65.041 63.100 0.243 0.000 0.874 1145 P CB -0.497 31.289 31.700 0.144 0.000 0.790 1146 G N -1.456 107.416 108.800 0.121 0.000 2.432 1146 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.219 1146 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.219 1146 G C 1.574 176.529 174.900 0.092 0.000 1.135 1146 G CA 0.644 45.796 45.100 0.087 0.000 0.767 1146 G HN 0.268 nan 8.290 nan 0.000 0.550 1147 Y N 0.590 120.844 120.300 -0.076 0.000 2.200 1147 Y HA 0.049 4.599 4.550 -0.001 0.000 0.290 1147 Y C 2.279 178.081 175.900 -0.164 0.000 1.137 1147 Y CA 1.219 59.218 58.100 -0.168 0.000 1.163 1147 Y CB -0.317 37.960 38.460 -0.305 0.000 0.988 1147 Y HN 0.179 nan 8.280 nan 0.000 0.518 1148 F N 0.141 120.051 119.950 -0.066 0.000 2.186 1148 F HA -0.119 4.407 4.527 -0.001 0.000 0.299 1148 F C 2.636 178.352 175.800 -0.141 0.000 1.090 1148 F CA 0.930 58.822 58.000 -0.181 0.000 1.307 1148 F CB -0.705 38.277 39.000 -0.029 0.000 1.019 1148 F HN 0.185 nan 8.300 nan 0.000 0.489 1149 A N -0.087 122.794 122.820 0.101 0.000 1.883 1149 A HA -0.282 4.037 4.320 -0.001 0.000 0.217 1149 A C 1.823 179.404 177.584 -0.005 0.000 1.186 1149 A CA 2.275 54.338 52.037 0.044 0.000 0.624 1149 A CB -0.984 18.045 19.000 0.048 0.000 0.822 1149 A HN 0.371 nan 8.150 nan 0.000 0.444 1150 D N -1.141 119.240 120.400 -0.032 0.000 2.117 1150 D HA -0.093 4.547 4.640 -0.001 0.000 0.198 1150 D C 1.976 178.225 176.300 -0.084 0.000 0.982 1150 D CA 1.842 55.814 54.000 -0.046 0.000 0.828 1150 D CB -0.215 40.566 40.800 -0.033 0.000 0.967 1150 D HN 0.361 nan 8.370 nan 0.000 0.464 1151 T N -0.142 114.306 114.554 -0.177 0.000 2.684 1151 T HA -0.220 4.130 4.350 -0.001 0.000 0.267 1151 T C 1.803 176.454 174.700 -0.083 0.000 1.036 1151 T CA 1.511 63.510 62.100 -0.169 0.000 1.148 1151 T CB -0.368 68.323 68.868 -0.296 0.000 0.863 1151 T HN 0.312 nan 8.240 nan 0.000 0.436 1152 Q N 0.952 120.719 119.800 -0.055 0.000 2.084 1152 Q HA -0.150 4.190 4.340 -0.001 0.000 0.202 1152 Q C 2.347 178.329 176.000 -0.031 0.000 0.978 1152 Q CA 1.551 57.328 55.803 -0.042 0.000 0.844 1152 Q CB -0.129 28.592 28.738 -0.027 0.000 0.898 1152 Q HN 0.458 nan 8.270 nan 0.000 0.426 1153 K N 0.114 120.501 120.400 -0.022 0.000 2.103 1153 K HA -0.187 4.132 4.320 -0.001 0.000 0.207 1153 K C 2.121 178.723 176.600 0.004 0.000 1.048 1153 K CA 1.364 57.647 56.287 -0.008 0.000 0.930 1153 K CB 0.009 32.507 32.500 -0.004 0.000 0.716 1153 K HN 0.169 nan 8.250 nan 0.000 0.444 1154 R N 0.184 120.681 120.500 -0.006 0.000 2.081 1154 R HA -0.094 4.246 4.340 -0.001 0.000 0.235 1154 R C 2.260 178.583 176.300 0.039 0.000 1.131 1154 R CA 1.336 57.442 56.100 0.010 0.000 0.960 1154 R CB -0.266 30.024 30.300 -0.016 0.000 0.856 1154 R HN 0.226 nan 8.270 nan 0.000 0.436 1155 I N 1.373 121.950 120.570 0.012 0.000 2.226 1155 I HA -0.258 3.911 4.170 -0.001 0.000 0.245 1155 I C 2.349 178.528 176.117 0.103 0.000 1.100 1155 I CA 1.388 62.718 61.300 0.049 0.000 1.374 1155 I CB -1.039 36.947 38.000 -0.023 0.000 1.057 1155 I HN 0.176 nan 8.210 nan 0.000 0.413 1156 K N 0.627 121.050 120.400 0.039 0.000 2.032 1156 K HA -0.193 4.126 4.320 -0.001 0.000 0.209 1156 K C 2.073 178.707 176.600 0.058 0.000 1.048 1156 K CA 2.170 58.475 56.287 0.029 0.000 0.927 1156 K CB -0.035 32.466 32.500 0.002 0.000 0.712 1156 K HN 0.245 nan 8.250 nan 0.000 0.441 1157 T N 0.756 115.352 114.554 0.069 0.000 2.746 1157 T HA -0.152 4.198 4.350 -0.001 0.000 0.267 1157 T C 1.397 176.159 174.700 0.104 0.000 1.039 1157 T CA 1.412 63.551 62.100 0.066 0.000 1.142 1157 T CB -0.354 68.552 68.868 0.064 0.000 0.866 1157 T HN 0.289 nan 8.240 nan 0.000 0.444 1158 F N 1.657 121.599 119.950 -0.013 0.000 2.075 1158 F HA -0.155 4.372 4.527 -0.001 0.000 0.297 1158 F C 2.289 178.091 175.800 0.004 0.000 1.113 1158 F CA 1.116 59.109 58.000 -0.011 0.000 1.218 1158 F CB -0.423 38.569 39.000 -0.014 0.000 0.984 1158 F HN -0.113 nan 8.300 nan 0.000 0.472 1159 V N 0.312 120.316 119.914 0.150 0.000 2.490 1159 V HA -0.274 3.846 4.120 -0.001 0.000 0.250 1159 V C 1.876 177.942 176.094 -0.047 0.000 1.061 1159 V CA 2.223 64.548 62.300 0.041 0.000 1.064 1159 V CB -0.662 31.195 31.823 0.057 0.000 0.670 1159 V HN 0.388 nan 8.190 nan 0.000 0.461 1160 E N 0.292 120.474 120.200 -0.031 0.000 2.481 1160 E HA -0.064 4.285 4.350 -0.001 0.000 0.195 1160 E C 2.130 178.692 176.600 -0.064 0.000 1.047 1160 E CA 0.849 57.226 56.400 -0.039 0.000 0.867 1160 E CB -0.050 29.639 29.700 -0.018 0.000 0.858 1160 E HN 0.747 nan 8.360 nan 0.000 0.513 1161 S N -0.226 115.408 115.700 -0.111 0.000 2.507 1161 S HA -0.019 4.450 4.470 -0.001 0.000 0.235 1161 S C 1.861 176.386 174.600 -0.126 0.000 0.988 1161 S CA 0.595 58.722 58.200 -0.122 0.000 0.944 1161 S CB -0.188 62.906 63.200 -0.176 0.000 0.762 1161 S HN 0.379 nan 8.310 nan 0.000 0.526 1162 G N 0.624 109.346 108.800 -0.130 0.000 2.220 1162 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.269 1162 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.269 1162 G C -0.000 174.817 174.900 -0.138 0.000 0.977 1162 G CA 0.464 45.501 45.100 -0.104 0.000 0.634 1162 G HN 0.638 nan 8.290 nan 0.000 0.539 1163 Q N -0.230 119.428 119.800 -0.237 0.000 2.563 1163 Q HA 0.598 4.938 4.340 -0.001 0.000 0.232 1163 Q C 1.013 176.733 176.000 -0.467 0.000 1.106 1163 Q CA -0.644 55.002 55.803 -0.261 0.000 0.913 1163 Q CB 0.895 29.499 28.738 -0.223 0.000 1.175 1163 Q HN 0.256 nan 8.270 nan 0.000 0.540 1164 L N 1.205 122.269 121.223 -0.265 0.000 2.478 1164 L HA 0.033 4.373 4.340 -0.001 0.000 0.223 1164 L C 1.354 178.239 176.870 0.025 0.000 1.140 1164 L CA 1.243 55.977 54.840 -0.178 0.000 0.842 1164 L CB -0.506 41.612 42.059 0.098 0.000 0.953 1164 L HN 0.877 nan 8.230 nan 0.000 0.452 1165 G N 1.114 109.918 108.800 0.007 0.000 2.622 1165 G HA2 -0.427 3.532 3.960 -0.001 0.000 0.307 1165 G HA3 -0.427 3.532 3.960 -0.001 0.000 0.307 1165 G C 1.031 175.996 174.900 0.109 0.000 1.226 1165 G CA 0.576 45.733 45.100 0.094 0.000 0.997 1165 G HN 0.472 nan 8.290 nan 0.000 0.551 1166 I N -2.165 118.436 120.570 0.052 0.000 3.176 1166 I HA 0.281 4.450 4.170 -0.001 0.000 0.275 1166 I C 2.016 178.310 176.117 0.296 0.000 1.298 1166 I CA 1.264 62.616 61.300 0.088 0.000 1.445 1166 I CB -0.304 37.711 38.000 0.024 0.000 1.075 1166 I HN 0.178 nan 8.210 nan 0.000 0.482 1167 F N 2.398 122.519 119.950 0.284 0.000 2.789 1167 F HA 0.452 4.978 4.527 -0.001 0.000 0.300 1167 F C 1.831 177.849 175.800 0.364 0.000 1.132 1167 F CA -1.021 57.227 58.000 0.413 0.000 1.404 1167 F CB -1.074 38.160 39.000 0.390 0.000 1.114 1167 F HN 0.019 nan 8.300 nan 0.000 0.584 1168 A N 0.492 123.531 122.820 0.365 0.000 2.498 1168 A HA 0.154 4.474 4.320 -0.001 0.000 0.239 1168 A C 1.011 178.691 177.584 0.161 0.000 1.068 1168 A CA 0.377 52.553 52.037 0.231 0.000 0.766 1168 A CB -0.646 18.432 19.000 0.129 0.000 1.003 1168 A HN 0.666 nan 8.150 nan 0.000 0.497 1169 N N -0.286 118.495 118.700 0.135 0.000 2.753 1169 N HA -0.194 4.546 4.740 -0.001 0.000 0.251 1169 N C 0.679 176.137 175.510 -0.087 0.000 1.097 1169 N CA 0.332 53.419 53.050 0.061 0.000 0.786 1169 N CB -1.364 37.156 38.487 0.056 0.000 1.137 1169 N HN 1.107 nan 8.380 nan 0.000 0.566 1170 G N -0.560 108.119 108.800 -0.202 0.000 2.716 1170 G HA2 0.150 4.110 3.960 -0.001 0.000 0.251 1170 G HA3 0.150 4.110 3.960 -0.001 0.000 0.251 1170 G C 0.073 174.488 174.900 -0.809 0.000 1.224 1170 G CA -0.180 44.376 45.100 -0.906 0.000 0.891 1170 G HN 0.308 nan 8.290 nan 0.000 0.561 1171 Y N -1.183 118.598 120.300 -0.865 0.000 2.537 1171 Y HA 0.212 4.761 4.550 -0.001 0.000 0.303 1171 Y C 0.625 176.494 175.900 -0.052 0.000 1.176 1171 Y CA -2.065 55.834 58.100 -0.335 0.000 1.273 1171 Y CB -1.054 37.253 38.460 -0.255 0.000 1.110 1171 Y HN 0.422 nan 8.280 nan 0.000 0.518 1172 W N 0.497 121.975 121.300 0.297 0.000 2.314 1172 W HA 0.327 4.987 4.660 -0.001 0.000 0.339 1172 W C 1.405 178.040 176.519 0.193 0.000 1.293 1172 W CA 0.827 58.254 57.345 0.137 0.000 1.288 1172 W CB 0.322 29.759 29.460 -0.038 0.000 1.186 1172 W HN 0.419 nan 8.180 nan 0.000 0.566 1173 G N -0.021 109.024 108.800 0.408 0.000 2.199 1173 G HA2 -0.343 3.617 3.960 -0.001 0.000 0.254 1173 G HA3 -0.343 3.617 3.960 -0.001 0.000 0.254 1173 G C 0.404 175.498 174.900 0.323 0.000 0.982 1173 G CA -0.019 45.255 45.100 0.290 0.000 0.632 1173 G HN 0.782 nan 8.290 nan 0.000 0.529 1174 H N 2.715 121.998 119.070 0.354 0.000 3.038 1174 H HA 0.133 4.689 4.556 -0.001 0.000 0.338 1174 H C -0.661 174.774 175.328 0.179 0.000 1.041 1174 H CA 0.084 56.243 56.048 0.186 0.000 1.394 1174 H CB 1.375 31.163 29.762 0.042 0.000 1.357 1174 H HN 0.169 nan 8.280 nan 0.000 0.600 1175 P HA -0.084 nan 4.420 nan 0.000 0.222 1175 P C 0.981 178.463 177.300 0.304 0.000 1.147 1175 P CA 1.342 64.526 63.100 0.139 0.000 0.790 1175 P CB -0.032 31.674 31.700 0.008 0.000 0.780 1176 A N -1.361 121.777 122.820 0.530 0.000 2.067 1176 A HA -0.118 4.201 4.320 -0.001 0.000 0.219 1176 A C 0.860 178.605 177.584 0.269 0.000 1.158 1176 A CA 0.288 52.507 52.037 0.303 0.000 0.661 1176 A CB -1.484 17.540 19.000 0.040 0.000 0.801 1176 A HN 0.170 nan 8.150 nan 0.000 0.452 1177 Y N 0.061 120.539 120.300 0.296 0.000 2.569 1177 Y HA 0.143 4.692 4.550 -0.001 0.000 0.332 1177 Y C 1.457 177.487 175.900 0.217 0.000 1.120 1177 Y CA -0.360 57.909 58.100 0.281 0.000 1.416 1177 Y CB 0.605 39.193 38.460 0.213 0.000 1.210 1177 Y HN 0.113 nan 8.280 nan 0.000 0.528 1178 R N 2.580 123.289 120.500 0.349 0.000 2.446 1178 R HA 0.214 4.554 4.340 -0.001 0.000 0.254 1178 R C -0.236 175.980 176.300 -0.141 0.000 0.918 1178 R CA -0.091 56.023 56.100 0.024 0.000 1.069 1178 R CB 0.306 30.482 30.300 -0.207 0.000 1.194 1178 R HN 0.628 nan 8.270 nan 0.000 0.534 1179 L N 4.276 125.410 121.223 -0.148 0.000 2.456 1179 L HA 0.147 4.487 4.340 -0.001 0.000 0.272 1179 L C -1.700 174.949 176.870 -0.367 0.000 1.189 1179 L CA -1.448 53.115 54.840 -0.462 0.000 0.846 1179 L CB 0.113 42.011 42.059 -0.269 0.000 1.111 1179 L HN -0.194 nan 8.230 nan 0.000 0.475 1180 P HA 0.134 nan 4.420 nan 0.000 0.272 1180 P C -2.323 174.842 177.300 -0.225 0.000 1.240 1180 P CA -1.474 61.467 63.100 -0.264 0.000 0.791 1180 P CB 0.138 31.703 31.700 -0.224 0.000 0.978 1181 P HA -0.193 nan 4.420 nan 0.000 0.216 1181 P C 1.356 178.547 177.300 -0.182 0.000 1.153 1181 P CA 1.662 64.667 63.100 -0.158 0.000 0.858 1181 P CB -0.011 31.616 31.700 -0.122 0.000 0.789 1182 E N -0.463 119.628 120.200 -0.182 0.000 2.085 1182 E HA -0.162 4.187 4.350 -0.001 0.000 0.194 1182 E C 2.131 178.586 176.600 -0.242 0.000 0.994 1182 E CA 1.706 57.977 56.400 -0.214 0.000 0.801 1182 E CB -1.167 28.428 29.700 -0.175 0.000 0.743 1182 E HN 0.168 nan 8.360 nan 0.000 0.453 1183 A N 0.950 123.631 122.820 -0.232 0.000 1.969 1183 A HA -0.157 4.163 4.320 -0.001 0.000 0.218 1183 A C 1.818 179.298 177.584 -0.174 0.000 1.169 1183 A CA 1.293 53.204 52.037 -0.210 0.000 0.635 1183 A CB -0.384 18.432 19.000 -0.307 0.000 0.810 1183 A HN 0.145 nan 8.150 nan 0.000 0.445 1184 N N -0.087 118.501 118.700 -0.187 0.000 2.120 1184 N HA -0.140 4.599 4.740 -0.001 0.000 0.188 1184 N C 1.634 177.046 175.510 -0.164 0.000 1.024 1184 N CA 1.538 54.492 53.050 -0.161 0.000 0.852 1184 N CB -0.457 37.911 38.487 -0.199 0.000 1.003 1184 N HN 0.433 nan 8.380 nan 0.000 0.424 1185 L N 1.297 122.404 121.223 -0.194 0.000 2.056 1185 L HA 0.019 4.358 4.340 -0.001 0.000 0.207 1185 L C 2.332 179.106 176.870 -0.159 0.000 1.078 1185 L CA 1.280 56.014 54.840 -0.176 0.000 0.749 1185 L CB -0.667 41.274 42.059 -0.197 0.000 0.901 1185 L HN 0.113 nan 8.230 nan 0.000 0.433 1186 M N -0.883 118.550 119.600 -0.279 0.000 2.080 1186 M HA -0.229 4.251 4.480 -0.001 0.000 0.260 1186 M C 2.135 178.280 176.300 -0.258 0.000 1.068 1186 M CA 2.245 57.370 55.300 -0.293 0.000 1.109 1186 M CB -0.206 32.193 32.600 -0.335 0.000 1.342 1186 M HN 0.354 nan 8.290 nan 0.000 0.405 1187 A N -0.506 122.255 122.820 -0.099 0.000 1.933 1187 A HA -0.101 4.219 4.320 -0.001 0.000 0.218 1187 A C 2.046 179.726 177.584 0.160 0.000 1.175 1187 A CA 1.764 53.860 52.037 0.098 0.000 0.628 1187 A CB -1.072 18.002 19.000 0.123 0.000 0.814 1187 A HN 0.439 nan 8.150 nan 0.000 0.444 1188 V N -0.118 119.822 119.914 0.043 0.000 2.295 1188 V HA -0.263 3.857 4.120 -0.001 0.000 0.246 1188 V C 3.083 179.260 176.094 0.140 0.000 1.049 1188 V CA 1.943 64.264 62.300 0.035 0.000 1.024 1188 V CB -1.241 30.527 31.823 -0.092 0.000 0.648 1188 V HN 0.621 nan 8.190 nan 0.000 0.447 1189 A N -0.760 122.145 122.820 0.141 0.000 1.917 1189 A HA -0.296 4.024 4.320 -0.001 0.000 0.219 1189 A C 2.052 179.883 177.584 0.413 0.000 1.182 1189 A CA 2.320 54.503 52.037 0.242 0.000 0.633 1189 A CB -0.788 18.415 19.000 0.338 0.000 0.819 1189 A HN 0.679 nan 8.150 nan 0.000 0.448 1190 H N -2.688 116.524 119.070 0.237 0.000 2.462 1190 H HA -0.054 4.502 4.556 -0.001 0.000 0.292 1190 H C 1.743 176.975 175.328 -0.159 0.000 1.049 1190 H CA 0.998 57.060 56.048 0.023 0.000 1.334 1190 H CB -0.707 29.033 29.762 -0.037 0.000 1.404 1190 H HN 0.753 nan 8.280 nan 0.000 0.544 1191 Y N 1.035 121.371 120.300 0.061 0.000 2.128 1191 Y HA -0.222 4.328 4.550 -0.001 0.000 0.284 1191 Y C 2.097 178.132 175.900 0.224 0.000 1.154 1191 Y CA 1.314 59.494 58.100 0.133 0.000 1.149 1191 Y CB -0.315 38.294 38.460 0.248 0.000 0.976 1191 Y HN 0.060 nan 8.280 nan 0.000 0.505 1192 L N -0.062 121.451 121.223 0.484 0.000 2.056 1192 L HA -0.171 4.169 4.340 -0.001 0.000 0.207 1192 L C 2.455 179.482 176.870 0.261 0.000 1.078 1192 L CA 1.117 56.165 54.840 0.346 0.000 0.749 1192 L CB -0.548 41.663 42.059 0.254 0.000 0.901 1192 L HN 0.192 nan 8.230 nan 0.000 0.433 1193 E N 0.442 120.820 120.200 0.298 0.000 2.153 1193 E HA -0.203 4.147 4.350 -0.001 0.000 0.194 1193 E C 2.262 178.978 176.600 0.195 0.000 0.988 1193 E CA 1.361 57.955 56.400 0.324 0.000 0.811 1193 E CB -0.225 29.752 29.700 0.463 0.000 0.746 1193 E HN 0.477 nan 8.360 nan 0.000 0.466 1194 A N 0.759 123.630 122.820 0.085 0.000 2.015 1194 A HA -0.067 4.253 4.320 -0.001 0.000 0.219 1194 A C 2.316 179.975 177.584 0.124 0.000 1.163 1194 A CA 0.680 52.665 52.037 -0.085 0.000 0.646 1194 A CB -0.454 18.382 19.000 -0.274 0.000 0.806 1194 A HN 0.160 nan 8.150 nan 0.000 0.448 1195 L N -1.046 120.258 121.223 0.135 0.000 2.072 1195 L HA -0.121 4.219 4.340 -0.001 0.000 0.205 1195 L C 3.081 179.959 176.870 0.013 0.000 1.079 1195 L CA 0.966 55.804 54.840 -0.003 0.000 0.752 1195 L CB -0.441 41.564 42.059 -0.090 0.000 0.906 1195 L HN 0.419 nan 8.230 nan 0.000 0.436 1196 A N -0.559 122.299 122.820 0.064 0.000 1.898 1196 A HA -0.274 4.045 4.320 -0.001 0.000 0.216 1196 A C 2.006 179.611 177.584 0.035 0.000 1.181 1196 A CA 1.526 53.599 52.037 0.060 0.000 0.620 1196 A CB -1.058 18.013 19.000 0.118 0.000 0.819 1196 A HN 0.638 nan 8.150 nan 0.000 0.442 1197 W N 1.653 122.837 121.300 -0.192 0.000 2.381 1197 W HA -0.267 4.393 4.660 -0.001 0.000 0.301 1197 W C 2.290 178.659 176.519 -0.250 0.000 1.205 1197 W CA 2.249 59.411 57.345 -0.306 0.000 1.285 1197 W CB -0.209 28.742 29.460 -0.848 0.000 1.133 1197 W HN 0.532 nan 8.180 nan 0.000 0.521 1198 Q N 1.313 120.955 119.800 -0.262 0.000 2.167 1198 Q HA -0.210 4.130 4.340 -0.001 0.000 0.202 1198 Q C 2.009 177.839 176.000 -0.284 0.000 0.970 1198 Q CA 2.410 57.904 55.803 -0.516 0.000 0.855 1198 Q CB -1.143 27.415 28.738 -0.299 0.000 0.911 1198 Q HN 0.578 nan 8.270 nan 0.000 0.438 1199 R N -0.096 120.302 120.500 -0.170 0.000 2.153 1199 R HA 0.025 4.365 4.340 -0.001 0.000 0.218 1199 R C 0.950 177.161 176.300 -0.148 0.000 1.072 1199 R CA 1.138 57.177 56.100 -0.102 0.000 0.990 1199 R CB -0.255 30.012 30.300 -0.055 0.000 0.889 1199 R HN 0.133 nan 8.270 nan 0.000 0.452 1200 D N 1.087 121.362 120.400 -0.209 0.000 2.117 1200 D HA -0.087 4.553 4.640 -0.001 0.000 0.198 1200 D C 1.589 177.737 176.300 -0.254 0.000 0.982 1200 D CA 1.677 55.560 54.000 -0.195 0.000 0.828 1200 D CB -0.224 40.469 40.800 -0.178 0.000 0.967 1200 D HN 0.207 nan 8.370 nan 0.000 0.464 1201 T N 0.734 115.000 114.554 -0.479 0.000 2.833 1201 T HA -0.089 4.260 4.350 -0.001 0.000 0.269 1201 T C 1.934 176.484 174.700 -0.250 0.000 1.054 1201 T CA 1.158 62.976 62.100 -0.471 0.000 1.135 1201 T CB -0.216 68.055 68.868 -0.995 0.000 0.869 1201 T HN 0.176 nan 8.240 nan 0.000 0.466 1202 A N 1.699 124.385 122.820 -0.223 0.000 2.139 1202 A HA -0.177 4.142 4.320 -0.001 0.000 0.221 1202 A C 2.138 179.676 177.584 -0.076 0.000 1.159 1202 A CA 1.454 53.372 52.037 -0.198 0.000 0.662 1202 A CB -0.491 18.414 19.000 -0.159 0.000 0.796 1202 A HN 0.503 nan 8.150 nan 0.000 0.463 1203 K N -1.730 118.637 120.400 -0.055 0.000 2.283 1203 K HA -0.080 4.240 4.320 -0.001 0.000 0.202 1203 K C 1.555 178.170 176.600 0.026 0.000 1.048 1203 K CA 1.176 57.449 56.287 -0.024 0.000 0.948 1203 K CB -0.279 32.195 32.500 -0.044 0.000 0.742 1203 K HN 0.572 nan 8.250 nan 0.000 0.458 1204 F N 1.444 121.347 119.950 -0.078 0.000 2.102 1204 F HA -0.234 4.293 4.527 -0.001 0.000 0.298 1204 F C 2.126 178.021 175.800 0.158 0.000 1.105 1204 F CA 1.704 59.711 58.000 0.011 0.000 1.239 1204 F CB -0.121 38.886 39.000 0.012 0.000 0.991 1204 F HN 0.142 nan 8.300 nan 0.000 0.474 1205 H N -1.057 118.208 119.070 0.325 0.000 2.389 1205 H HA -0.082 4.473 4.556 -0.001 0.000 0.299 1205 H C 2.324 177.681 175.328 0.049 0.000 1.081 1205 H CA 0.473 56.648 56.048 0.212 0.000 1.345 1205 H CB -0.154 29.693 29.762 0.142 0.000 1.393 1205 H HN 0.394 nan 8.280 nan 0.000 0.520 1206 A N 1.180 124.074 122.820 0.123 0.000 1.908 1206 A HA -0.168 4.151 4.320 -0.001 0.000 0.218 1206 A C 2.369 179.909 177.584 -0.073 0.000 1.181 1206 A CA 1.347 53.390 52.037 0.011 0.000 0.627 1206 A CB -0.703 18.286 19.000 -0.017 0.000 0.818 1206 A HN 0.305 nan 8.150 nan 0.000 0.445 1207 I N -1.931 118.536 120.570 -0.172 0.000 2.127 1207 I HA -0.272 3.897 4.170 -0.001 0.000 0.241 1207 I C 2.248 178.154 176.117 -0.351 0.000 1.075 1207 I CA 1.613 62.705 61.300 -0.347 0.000 1.334 1207 I CB -0.368 37.275 38.000 -0.594 0.000 1.040 1207 I HN 0.307 nan 8.210 nan 0.000 0.405 1208 F N 0.080 119.933 119.950 -0.161 0.000 2.335 1208 F HA 0.087 4.613 4.527 -0.001 0.000 0.296 1208 F C 2.260 177.946 175.800 -0.190 0.000 1.091 1208 F CA 1.066 58.968 58.000 -0.163 0.000 1.399 1208 F CB -0.651 38.260 39.000 -0.149 0.000 1.067 1208 F HN -0.019 nan 8.300 nan 0.000 0.520 1209 G N -1.982 106.807 108.800 -0.019 0.000 3.377 1209 G HA2 0.417 4.377 3.960 -0.001 0.000 0.257 1209 G HA3 0.417 4.377 3.960 -0.001 0.000 0.257 1209 G C 1.406 176.236 174.900 -0.117 0.000 1.038 1209 G CA 0.310 45.299 45.100 -0.185 0.000 0.809 1209 G HN 0.566 nan 8.290 nan 0.000 0.526 1210 G N 0.601 109.362 108.800 -0.065 0.000 2.417 1210 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.233 1210 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.233 1210 G C 0.353 175.246 174.900 -0.011 0.000 1.103 1210 G CA 0.760 45.835 45.100 -0.041 0.000 0.647 1210 G HN 1.254 nan 8.290 nan 0.000 0.512 1211 K N -0.942 119.466 120.400 0.013 0.000 2.597 1211 K HA 0.607 4.927 4.320 -0.001 0.000 0.282 1211 K C -1.415 175.229 176.600 0.073 0.000 0.975 1211 K CA -0.735 55.574 56.287 0.038 0.000 0.867 1211 K CB 1.356 33.886 32.500 0.049 0.000 1.465 1211 K HN 0.360 nan 8.250 nan 0.000 0.417 1212 N N 1.079 119.815 118.700 0.061 0.000 2.336 1212 N HA 0.454 5.194 4.740 -0.001 0.000 0.290 1212 N C -2.762 172.748 175.510 0.000 0.000 1.058 1212 N CA -1.111 51.977 53.050 0.064 0.000 0.865 1212 N CB 1.722 40.252 38.487 0.071 0.000 1.581 1212 N HN 0.512 nan 8.380 nan 0.000 0.480 1213 P HA 0.215 nan 4.420 nan 0.000 0.272 1213 P C -1.109 176.222 177.300 0.051 0.000 1.240 1213 P CA 0.392 63.440 63.100 -0.085 0.000 0.791 1213 P CB 0.201 31.712 31.700 -0.314 0.000 0.978 1214 H N -2.354 116.809 119.070 0.156 0.000 2.982 1214 H HA -0.095 4.460 4.556 -0.001 0.000 0.336 1214 H C -2.077 173.361 175.328 0.184 0.000 1.302 1214 H CA -0.777 55.392 56.048 0.202 0.000 1.204 1214 H CB -1.523 28.339 29.762 0.167 0.000 1.502 1214 H HN 0.431 nan 8.280 nan 0.000 0.446 1215 P HA -0.040 nan 4.420 nan 0.000 0.271 1215 P C -0.009 177.206 177.300 -0.142 0.000 1.233 1215 P CA 0.165 63.245 63.100 -0.034 0.000 0.789 1215 P CB 0.825 32.384 31.700 -0.234 0.000 0.951 1216 N N 0.087 118.573 118.700 -0.356 0.000 2.515 1216 N HA 0.510 5.250 4.740 -0.001 0.000 0.279 1216 N C -0.533 174.209 175.510 -1.281 0.000 1.164 1216 N CA -0.138 52.629 53.050 -0.472 0.000 0.982 1216 N CB 0.351 38.755 38.487 -0.137 0.000 1.170 1216 N HN 0.336 nan 8.380 nan 0.000 0.474 1217 F N -0.261 118.938 119.950 -1.251 0.000 2.675 1217 F HA 0.738 5.265 4.527 -0.001 0.000 0.324 1217 F C -0.377 174.843 175.800 -0.968 0.000 1.106 1217 F CA -0.934 56.453 58.000 -1.022 0.000 0.970 1217 F CB 1.322 39.713 39.000 -1.015 0.000 1.385 1217 F HN 0.076 nan 8.300 nan 0.000 0.489 1218 V N 1.045 120.789 119.914 -0.284 0.000 2.969 1218 V HA 0.509 4.629 4.120 -0.001 0.000 0.304 1218 V C -1.507 174.729 176.094 0.238 0.000 1.192 1218 V CA -0.848 61.459 62.300 0.011 0.000 0.962 1218 V CB 2.275 34.093 31.823 -0.008 0.000 1.045 1218 V HN 0.516 nan 8.190 nan 0.000 0.428 1219 V N 6.180 126.383 119.914 0.482 0.000 2.529 1219 V HA 0.504 4.624 4.120 -0.001 0.000 0.292 1219 V C 1.475 177.838 176.094 0.448 0.000 1.028 1219 V CA 1.807 64.364 62.300 0.428 0.000 1.074 1219 V CB 0.411 32.518 31.823 0.474 0.000 0.958 1219 V HN 1.760 nan 8.190 nan 0.000 0.481 1220 G N 3.238 112.164 108.800 0.210 0.000 2.176 1220 G HA2 0.090 4.050 3.960 -0.001 0.000 0.232 1220 G HA3 0.090 4.050 3.960 -0.001 0.000 0.232 1220 G C 0.475 175.371 174.900 -0.007 0.000 0.986 1220 G CA -0.129 44.986 45.100 0.026 0.000 0.643 1220 G HN 1.725 nan 8.290 nan 0.000 0.522 1221 G N -2.016 106.885 108.800 0.168 0.000 2.552 1221 G HA2 0.657 4.616 3.960 -0.001 0.000 0.137 1221 G HA3 0.657 4.616 3.960 -0.001 0.000 0.137 1221 G C -0.649 174.322 174.900 0.119 0.000 1.135 1221 G CA 0.814 46.008 45.100 0.157 0.000 1.047 1221 G HN 1.839 nan 8.290 nan 0.000 0.501 1222 V N -2.224 117.741 119.914 0.085 0.000 2.876 1222 V HA 0.776 4.896 4.120 -0.001 0.000 0.312 1222 V C -2.289 173.764 176.094 -0.068 0.000 1.085 1222 V CA -1.691 60.592 62.300 -0.029 0.000 0.945 1222 V CB 2.040 33.823 31.823 -0.067 0.000 1.017 1222 V HN 0.468 nan 8.190 nan 0.000 0.428 1223 P HA 0.032 nan 4.420 nan 0.000 0.225 1223 P C 0.632 177.850 177.300 -0.138 0.000 1.156 1223 P CA 0.939 63.921 63.100 -0.197 0.000 0.787 1223 P CB 0.028 31.605 31.700 -0.205 0.000 0.802 1224 S N 1.246 116.898 115.700 -0.081 0.000 2.414 1224 S HA 0.313 4.783 4.470 -0.001 0.000 0.290 1224 S C -2.195 172.395 174.600 -0.016 0.000 1.160 1224 S CA -1.381 56.798 58.200 -0.035 0.000 1.069 1224 S CB -0.277 62.946 63.200 0.039 0.000 1.012 1224 S HN 0.033 nan 8.310 nan 0.000 0.510 1225 P HA 0.395 nan 4.420 nan 0.000 0.274 1225 P C -0.678 176.621 177.300 -0.002 0.000 1.246 1225 P CA -0.663 62.425 63.100 -0.019 0.000 0.795 1225 P CB 0.612 32.291 31.700 -0.036 0.000 1.006 1226 I N 1.342 121.915 120.570 0.005 0.000 2.362 1226 I HA 0.337 4.507 4.170 -0.001 0.000 0.289 1226 I C -0.094 176.021 176.117 -0.002 0.000 0.994 1226 I CA -0.005 61.300 61.300 0.008 0.000 1.158 1226 I CB 1.327 39.337 38.000 0.016 0.000 1.315 1226 I HN 0.226 nan 8.210 nan 0.000 0.451 1227 D N 6.434 126.830 120.400 -0.007 0.000 2.470 1227 D HA 0.155 4.795 4.640 -0.001 0.000 0.233 1227 D C 0.275 176.569 176.300 -0.011 0.000 1.372 1227 D CA -0.448 53.547 54.000 -0.009 0.000 0.994 1227 D CB 1.659 42.452 40.800 -0.012 0.000 1.377 1227 D HN 0.180 nan 8.370 nan 0.000 0.586 1228 L N 2.081 123.300 121.223 -0.008 0.000 2.261 1228 L HA -0.003 4.336 4.340 -0.001 0.000 0.216 1228 L C 1.213 178.078 176.870 -0.009 0.000 1.114 1228 L CA 1.435 56.270 54.840 -0.007 0.000 0.777 1228 L CB -0.286 41.770 42.059 -0.005 0.000 0.910 1228 L HN 0.465 nan 8.230 nan 0.000 0.440 1229 D N -1.883 118.512 120.400 -0.009 0.000 2.559 1229 D HA 0.119 4.759 4.640 -0.001 0.000 0.234 1229 D C 0.264 176.557 176.300 -0.012 0.000 1.226 1229 D CA 0.151 54.146 54.000 -0.009 0.000 0.830 1229 D CB 0.811 41.607 40.800 -0.007 0.000 1.028 1229 D HN 0.066 nan 8.370 nan 0.000 0.492 1230 S N 0.982 116.673 115.700 -0.015 0.000 2.536 1230 S HA 0.148 4.618 4.470 -0.001 0.000 0.298 1230 S C 0.577 175.164 174.600 -0.022 0.000 1.083 1230 S CA -0.712 57.477 58.200 -0.018 0.000 0.995 1230 S CB 1.732 64.921 63.200 -0.020 0.000 1.058 1230 S HN 0.077 nan 8.310 nan 0.000 0.488 1231 D N 1.822 122.209 120.400 -0.022 0.000 2.349 1231 D HA 0.049 4.688 4.640 -0.001 0.000 0.224 1231 D C 0.708 176.990 176.300 -0.030 0.000 1.029 1231 D CA 0.281 54.267 54.000 -0.024 0.000 0.879 1231 D CB 0.238 41.026 40.800 -0.021 0.000 0.906 1231 D HN 0.256 nan 8.370 nan 0.000 0.528 1232 S N -1.066 114.615 115.700 -0.032 0.000 3.025 1232 S HA 0.587 5.057 4.470 -0.001 0.000 0.251 1232 S C -0.444 174.132 174.600 -0.041 0.000 0.954 1232 S CA -0.091 58.087 58.200 -0.037 0.000 1.092 1232 S CB -0.280 62.900 63.200 -0.033 0.000 1.079 1232 S HN 0.507 nan 8.310 nan 0.000 0.543 1233 A N 0.817 123.614 122.820 -0.039 0.000 2.530 1233 A HA 0.792 5.111 4.320 -0.001 0.000 0.288 1233 A C -1.319 176.239 177.584 -0.044 0.000 1.172 1233 A CA -0.637 51.377 52.037 -0.039 0.000 0.733 1233 A CB 0.484 19.468 19.000 -0.028 0.000 1.320 1233 A HN 0.282 nan 8.150 nan 0.000 0.419 1234 L N 2.720 123.921 121.223 -0.038 0.000 2.562 1234 L HA 0.156 4.496 4.340 -0.001 0.000 0.271 1234 L C 0.795 177.649 176.870 -0.026 0.000 1.167 1234 L CA 0.807 55.622 54.840 -0.042 0.000 0.917 1234 L CB -1.347 40.713 42.059 0.002 0.000 1.187 1234 L HN 0.924 nan 8.230 nan 0.000 0.482 1235 N N 1.942 120.622 118.700 -0.033 0.000 3.283 1235 N HA 0.567 5.306 4.740 -0.001 0.000 0.338 1235 N C 0.575 176.077 175.510 -0.013 0.000 1.517 1235 N CA -0.323 52.715 53.050 -0.020 0.000 0.733 1235 N CB 0.969 39.443 38.487 -0.022 0.000 1.797 1235 N HN 0.256 nan 8.380 nan 0.000 0.637 1236 A N 0.100 122.918 122.820 -0.004 0.000 1.933 1236 A HA -0.177 4.143 4.320 -0.001 0.000 0.218 1236 A C 2.125 179.713 177.584 0.007 0.000 1.175 1236 A CA 1.262 53.305 52.037 0.009 0.000 0.628 1236 A CB -0.721 18.286 19.000 0.012 0.000 0.814 1236 A HN 0.676 nan 8.150 nan 0.000 0.444 1237 K N -0.311 120.084 120.400 -0.010 0.000 2.026 1237 K HA -0.156 4.163 4.320 -0.001 0.000 0.208 1237 K C 2.013 178.592 176.600 -0.034 0.000 1.048 1237 K CA 1.199 57.475 56.287 -0.018 0.000 0.929 1237 K CB -0.272 32.213 32.500 -0.025 0.000 0.713 1237 K HN 0.283 nan 8.250 nan 0.000 0.439 1238 R N 0.719 121.184 120.500 -0.057 0.000 2.115 1238 R HA -0.014 4.326 4.340 -0.001 0.000 0.230 1238 R C 2.429 178.668 176.300 -0.102 0.000 1.111 1238 R CA 0.701 56.734 56.100 -0.110 0.000 0.976 1238 R CB -0.678 29.530 30.300 -0.154 0.000 0.870 1238 R HN 0.290 nan 8.270 nan 0.000 0.445 1239 L N 0.155 121.364 121.223 -0.024 0.000 2.291 1239 L HA -0.016 4.323 4.340 -0.001 0.000 0.214 1239 L C 2.428 179.387 176.870 0.150 0.000 1.120 1239 L CA 0.888 55.779 54.840 0.085 0.000 0.799 1239 L CB -0.419 41.700 42.059 0.100 0.000 0.925 1239 L HN 0.105 nan 8.230 nan 0.000 0.446 1240 A N 0.025 122.886 122.820 0.069 0.000 1.930 1240 A HA -0.150 4.170 4.320 -0.001 0.000 0.215 1240 A C 2.140 179.732 177.584 0.014 0.000 1.176 1240 A CA 1.050 53.121 52.037 0.057 0.000 0.632 1240 A CB -0.248 18.771 19.000 0.031 0.000 0.819 1240 A HN 0.410 nan 8.150 nan 0.000 0.445 1241 E N -0.089 120.099 120.200 -0.019 0.000 2.058 1241 E HA -0.161 4.189 4.350 -0.001 0.000 0.194 1241 E C 1.934 178.508 176.600 -0.043 0.000 0.997 1241 E CA 1.472 57.845 56.400 -0.044 0.000 0.801 1241 E CB -0.384 29.266 29.700 -0.085 0.000 0.746 1241 E HN 0.384 nan 8.360 nan 0.000 0.450 1242 V N 1.397 121.273 119.914 -0.063 0.000 2.343 1242 V HA -0.270 3.850 4.120 -0.001 0.000 0.247 1242 V C 2.490 178.594 176.094 0.015 0.000 1.051 1242 V CA 1.956 64.235 62.300 -0.035 0.000 1.036 1242 V CB -0.577 31.234 31.823 -0.020 0.000 0.654 1242 V HN 0.239 nan 8.190 nan 0.000 0.451 1243 R N 0.392 120.820 120.500 -0.120 0.000 2.083 1243 R HA -0.208 4.132 4.340 -0.001 0.000 0.237 1243 R C 2.178 178.406 176.300 -0.120 0.000 1.137 1243 R CA 2.146 58.038 56.100 -0.347 0.000 0.951 1243 R CB -0.313 29.819 30.300 -0.280 0.000 0.851 1243 R HN 0.510 nan 8.270 nan 0.000 0.434 1244 N N 0.723 119.403 118.700 -0.034 0.000 2.166 1244 N HA -0.141 4.598 4.740 -0.001 0.000 0.186 1244 N C 1.812 177.355 175.510 0.055 0.000 1.019 1244 N CA 1.118 54.175 53.050 0.011 0.000 0.856 1244 N CB -0.242 38.255 38.487 0.015 0.000 0.993 1244 N HN 0.240 nan 8.380 nan 0.000 0.426 1245 L N 0.273 121.549 121.223 0.089 0.000 2.083 1245 L HA -0.072 4.268 4.340 -0.001 0.000 0.209 1245 L C 1.993 178.955 176.870 0.154 0.000 1.083 1245 L CA 0.802 55.730 54.840 0.147 0.000 0.752 1245 L CB -0.307 41.916 42.059 0.273 0.000 0.899 1245 L HN 0.124 nan 8.230 nan 0.000 0.433 1246 I N -0.781 119.880 120.570 0.151 0.000 2.226 1246 I HA -0.316 3.853 4.170 -0.001 0.000 0.245 1246 I C 2.714 178.883 176.117 0.086 0.000 1.100 1246 I CA 1.226 62.584 61.300 0.097 0.000 1.374 1246 I CB -0.293 37.743 38.000 0.059 0.000 1.057 1246 I HN 0.363 nan 8.210 nan 0.000 0.413 1247 Q N 0.661 120.499 119.800 0.064 0.000 2.096 1247 Q HA -0.246 4.093 4.340 -0.001 0.000 0.204 1247 Q C 2.334 178.427 176.000 0.155 0.000 0.982 1247 Q CA 2.350 58.202 55.803 0.081 0.000 0.850 1247 Q CB -0.026 28.744 28.738 0.054 0.000 0.901 1247 Q HN 0.593 nan 8.270 nan 0.000 0.422 1248 S N -0.806 115.010 115.700 0.194 0.000 2.461 1248 S HA -0.086 4.383 4.470 -0.001 0.000 0.228 1248 S C 1.897 176.806 174.600 0.515 0.000 1.005 1248 S CA 0.714 59.103 58.200 0.314 0.000 0.942 1248 S CB -0.183 63.185 63.200 0.280 0.000 0.776 1248 S HN 0.338 nan 8.310 nan 0.000 0.514 1249 M N 1.019 120.882 119.600 0.438 0.000 2.099 1249 M HA 0.013 4.492 4.480 -0.001 0.000 0.262 1249 M C 2.548 179.053 176.300 0.343 0.000 1.067 1249 M CA 1.819 57.447 55.300 0.547 0.000 1.124 1249 M CB -0.366 32.430 32.600 0.327 0.000 1.353 1249 M HN 0.313 nan 8.290 nan 0.000 0.410 1250 R N 0.416 121.046 120.500 0.216 0.000 2.091 1250 R HA -0.113 4.227 4.340 -0.001 0.000 0.238 1250 R C 1.867 178.238 176.300 0.120 0.000 1.136 1250 R CA 2.286 58.466 56.100 0.133 0.000 0.959 1250 R CB -0.936 29.416 30.300 0.087 0.000 0.856 1250 R HN 0.262 nan 8.270 nan 0.000 0.437 1251 T N 0.000 114.658 114.554 0.172 0.000 2.777 1251 T HA -0.076 4.274 4.350 -0.001 0.000 0.266 1251 T C 1.360 176.106 174.700 0.077 0.000 1.040 1251 T CA 1.409 63.606 62.100 0.163 0.000 1.141 1251 T CB -0.374 68.647 68.868 0.256 0.000 0.868 1251 T HN 0.223 nan 8.240 nan 0.000 0.444 1252 F N 1.448 121.337 119.950 -0.100 0.000 2.146 1252 F HA -0.077 4.450 4.527 -0.001 0.000 0.298 1252 F C 2.255 177.805 175.800 -0.417 0.000 1.096 1252 F CA 0.686 58.388 58.000 -0.497 0.000 1.275 1252 F CB -0.334 37.988 39.000 -1.130 0.000 1.008 1252 F HN -0.113 nan 8.300 nan 0.000 0.480 1253 V N 0.166 120.030 119.914 -0.084 0.000 2.255 1253 V HA -0.327 3.792 4.120 -0.001 0.000 0.247 1253 V C 1.948 177.964 176.094 -0.129 0.000 1.051 1253 V CA 2.337 64.623 62.300 -0.023 0.000 1.018 1253 V CB -0.604 31.275 31.823 0.093 0.000 0.641 1253 V HN 0.265 nan 8.190 nan 0.000 0.445 1254 D N -0.897 119.440 120.400 -0.105 0.000 2.194 1254 D HA -0.087 4.552 4.640 -0.001 0.000 0.204 1254 D C 2.312 178.521 176.300 -0.150 0.000 0.964 1254 D CA 0.990 54.928 54.000 -0.102 0.000 0.846 1254 D CB -0.022 40.752 40.800 -0.044 0.000 0.962 1254 D HN 0.532 nan 8.370 nan 0.000 0.490 1255 Q N -0.549 119.121 119.800 -0.216 0.000 2.392 1255 Q HA 0.115 4.455 4.340 -0.001 0.000 0.219 1255 Q C 1.560 177.281 176.000 -0.465 0.000 0.895 1255 Q CA 0.240 55.917 55.803 -0.209 0.000 0.929 1255 Q CB 1.546 30.292 28.738 0.013 0.000 1.077 1255 Q HN 0.110 nan 8.270 nan 0.000 0.532 1256 V N -1.046 118.389 119.914 -0.798 0.000 3.001 1256 V HA -0.077 4.043 4.120 -0.001 0.000 0.228 1256 V C 1.463 177.275 176.094 -0.470 0.000 1.204 1256 V CA 0.536 62.203 62.300 -1.054 0.000 1.247 1256 V CB -0.583 29.898 31.823 -2.237 0.000 1.093 1256 V HN 0.202 nan 8.190 nan 0.000 0.504 1257 Y N 1.736 121.700 120.300 -0.561 0.000 2.109 1257 Y HA -0.148 4.402 4.550 -0.001 0.000 0.285 1257 Y C 2.310 178.009 175.900 -0.334 0.000 1.131 1257 Y CA 1.981 59.926 58.100 -0.260 0.000 1.121 1257 Y CB -0.726 37.637 38.460 -0.162 0.000 0.987 1257 Y HN -0.003 nan 8.280 nan 0.000 0.495 1258 V N 1.378 121.034 119.914 -0.429 0.000 2.255 1258 V HA -0.240 3.880 4.120 -0.001 0.000 0.247 1258 V C -0.332 175.552 176.094 -0.350 0.000 1.051 1258 V CA 2.615 64.605 62.300 -0.516 0.000 1.018 1258 V CB -1.914 29.686 31.823 -0.370 0.000 0.641 1258 V HN 0.265 nan 8.190 nan 0.000 0.445 1259 P HA -0.093 nan 4.420 nan 0.000 0.217 1259 P C 1.065 178.306 177.300 -0.097 0.000 1.150 1259 P CA 1.404 64.420 63.100 -0.141 0.000 0.832 1259 P CB -0.058 31.586 31.700 -0.094 0.000 0.787 1260 D N -1.552 118.813 120.400 -0.058 0.000 2.117 1260 D HA -0.139 4.500 4.640 -0.001 0.000 0.197 1260 D C 2.046 178.297 176.300 -0.082 0.000 0.987 1260 D CA 1.809 55.845 54.000 0.060 0.000 0.829 1260 D CB -1.188 39.792 40.800 0.301 0.000 0.961 1260 D HN 0.201 nan 8.370 nan 0.000 0.460 1261 T N -0.471 113.845 114.554 -0.395 0.000 2.867 1261 T HA -0.080 4.269 4.350 -0.001 0.000 0.268 1261 T C 2.153 176.676 174.700 -0.294 0.000 1.057 1261 T CA 0.696 62.464 62.100 -0.554 0.000 1.136 1261 T CB -0.320 67.922 68.868 -1.044 0.000 0.874 1261 T HN 0.103 nan 8.240 nan 0.000 0.466 1262 L N 0.738 121.813 121.223 -0.247 0.000 2.056 1262 L HA 0.113 4.452 4.340 -0.001 0.000 0.207 1262 L C 3.379 180.197 176.870 -0.087 0.000 1.078 1262 L CA 1.258 55.999 54.840 -0.166 0.000 0.749 1262 L CB -0.903 41.062 42.059 -0.158 0.000 0.901 1262 L HN 0.380 nan 8.230 nan 0.000 0.433 1263 A N 0.406 123.207 122.820 -0.032 0.000 1.902 1263 A HA -0.153 4.166 4.320 -0.001 0.000 0.217 1263 A C 2.227 179.915 177.584 0.173 0.000 1.181 1263 A CA 1.435 53.506 52.037 0.057 0.000 0.623 1263 A CB -0.608 18.455 19.000 0.105 0.000 0.818 1263 A HN 0.332 nan 8.150 nan 0.000 0.443 1264 I N -0.314 120.354 120.570 0.162 0.000 2.315 1264 I HA -0.239 3.931 4.170 -0.001 0.000 0.248 1264 I C 2.916 179.161 176.117 0.214 0.000 1.117 1264 I CA 0.869 62.324 61.300 0.258 0.000 1.404 1264 I CB -0.274 37.829 38.000 0.173 0.000 1.071 1264 I HN 0.361 nan 8.210 nan 0.000 0.419 1265 A N 0.892 123.716 122.820 0.008 0.000 1.978 1265 A HA -0.164 4.155 4.320 -0.001 0.000 0.220 1265 A C 2.383 179.970 177.584 0.004 0.000 1.170 1265 A CA 1.827 53.838 52.037 -0.043 0.000 0.636 1265 A CB -1.350 17.574 19.000 -0.128 0.000 0.810 1265 A HN 0.477 nan 8.150 nan 0.000 0.448 1266 G N -1.949 106.810 108.800 -0.069 0.000 2.498 1266 G HA2 -0.095 3.865 3.960 -0.001 0.000 0.219 1266 G HA3 -0.095 3.865 3.960 -0.001 0.000 0.219 1266 G C 1.068 175.760 174.900 -0.346 0.000 1.119 1266 G CA 0.872 45.829 45.100 -0.239 0.000 0.766 1266 G HN 0.502 nan 8.290 nan 0.000 0.552 1267 F N -1.713 118.186 119.950 -0.085 0.000 2.727 1267 F HA 0.363 4.890 4.527 -0.001 0.000 0.302 1267 F C 0.710 176.280 175.800 -0.384 0.000 1.097 1267 F CA -0.107 57.739 58.000 -0.256 0.000 1.330 1267 F CB 0.491 39.267 39.000 -0.373 0.000 1.084 1267 F HN 0.100 nan 8.300 nan 0.000 0.578 1268 Y N -0.964 119.451 120.300 0.193 0.000 2.696 1268 Y HA 0.219 4.768 4.550 -0.001 0.000 0.255 1268 Y C 1.374 177.433 175.900 0.266 0.000 1.103 1268 Y CA -0.615 57.660 58.100 0.290 0.000 1.126 1268 Y CB -0.037 38.531 38.460 0.180 0.000 1.197 1268 Y HN -0.165 nan 8.280 nan 0.000 0.574 1269 K N 0.753 121.287 120.400 0.223 0.000 2.160 1269 K HA -0.208 4.112 4.320 -0.001 0.000 0.206 1269 K C 1.652 178.340 176.600 0.148 0.000 1.047 1269 K CA 1.842 58.210 56.287 0.135 0.000 0.930 1269 K CB -0.057 32.466 32.500 0.039 0.000 0.720 1269 K HN 0.520 nan 8.250 nan 0.000 0.450 1270 D N -0.523 119.976 120.400 0.165 0.000 2.350 1270 D HA -0.177 4.462 4.640 -0.001 0.000 0.216 1270 D C 1.029 177.276 176.300 -0.089 0.000 0.968 1270 D CA 0.564 54.583 54.000 0.032 0.000 0.894 1270 D CB -0.247 40.551 40.800 -0.004 0.000 0.909 1270 D HN 0.285 nan 8.370 nan 0.000 0.520 1271 W N 1.472 122.863 121.300 0.151 0.000 2.825 1271 W HA 0.269 4.929 4.660 -0.001 0.000 0.243 1271 W C 2.409 178.985 176.519 0.096 0.000 1.293 1271 W CA 0.617 58.056 57.345 0.156 0.000 1.403 1271 W CB -0.082 29.562 29.460 0.307 0.000 1.134 1271 W HN 0.084 nan 8.180 nan 0.000 0.666 1272 G N -0.034 108.863 108.800 0.162 0.000 2.848 1272 G HA2 -0.099 3.861 3.960 -0.001 0.000 0.208 1272 G HA3 -0.099 3.861 3.960 -0.001 0.000 0.208 1272 G C 0.900 175.823 174.900 0.039 0.000 1.152 1272 G CA 0.229 45.380 45.100 0.086 0.000 0.789 1272 G HN 0.323 nan 8.290 nan 0.000 0.531 1273 E N -0.603 119.584 120.200 -0.021 0.000 2.603 1273 E HA 0.185 4.534 4.350 -0.001 0.000 0.211 1273 E C 0.585 177.131 176.600 -0.090 0.000 0.995 1273 E CA -0.342 56.028 56.400 -0.051 0.000 0.990 1273 E CB 0.561 30.209 29.700 -0.086 0.000 1.036 1273 E HN 0.543 nan 8.360 nan 0.000 0.475 1274 R N -1.957 118.492 120.500 -0.086 0.000 2.734 1274 R HA 0.621 4.961 4.340 -0.001 0.000 0.271 1274 R C 0.048 176.419 176.300 0.118 0.000 1.021 1274 R CA -0.453 55.590 56.100 -0.096 0.000 0.893 1274 R CB 0.859 30.872 30.300 -0.479 0.000 1.244 1274 R HN 0.007 nan 8.270 nan 0.000 0.464 1275 G N 0.229 109.212 108.800 0.304 0.000 2.140 1275 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.211 1275 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.211 1275 G C -0.462 174.620 174.900 0.304 0.000 1.013 1275 G CA 0.299 45.658 45.100 0.432 0.000 0.705 1275 G HN 0.591 nan 8.290 nan 0.000 0.508 1276 E N -0.308 120.047 120.200 0.259 0.000 2.448 1276 E HA 0.487 4.836 4.350 -0.001 0.000 0.288 1276 E C 0.709 177.425 176.600 0.194 0.000 0.936 1276 E CA 0.122 56.682 56.400 0.266 0.000 0.809 1276 E CB 0.632 30.522 29.700 0.316 0.000 1.408 1276 E HN 0.509 nan 8.360 nan 0.000 0.393 1277 G N 3.159 112.055 108.800 0.161 0.000 3.393 1277 G HA2 0.154 4.114 3.960 -0.001 0.000 0.255 1277 G HA3 0.154 4.114 3.960 -0.001 0.000 0.255 1277 G C 0.923 175.847 174.900 0.040 0.000 1.097 1277 G CA 0.031 45.182 45.100 0.086 0.000 0.780 1277 G HN 0.407 nan 8.290 nan 0.000 0.540 1278 L N -0.727 120.511 121.223 0.025 0.000 2.433 1278 L HA 0.316 4.655 4.340 -0.001 0.000 0.200 1278 L C 2.179 178.996 176.870 -0.087 0.000 1.059 1278 L CA 0.698 55.508 54.840 -0.050 0.000 0.835 1278 L CB -0.072 41.922 42.059 -0.109 0.000 1.076 1278 L HN 0.270 nan 8.230 nan 0.000 0.481 1279 G N 0.994 109.730 108.800 -0.107 0.000 2.162 1279 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.260 1279 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.260 1279 G C -0.089 174.756 174.900 -0.092 0.000 0.976 1279 G CA 0.175 45.259 45.100 -0.026 0.000 0.655 1279 G HN 0.368 nan 8.290 nan 0.000 0.533 1280 N N -0.376 118.043 118.700 -0.469 0.000 2.269 1280 N HA 0.803 5.543 4.740 -0.001 0.000 0.304 1280 N C -0.955 174.040 175.510 -0.858 0.000 1.072 1280 N CA -0.200 52.623 53.050 -0.377 0.000 0.802 1280 N CB 1.520 39.896 38.487 -0.185 0.000 1.348 1280 N HN 0.072 nan 8.380 nan 0.000 0.484 1281 F N 0.401 120.304 119.950 -0.078 0.000 2.591 1281 F HA 0.516 5.042 4.527 -0.001 0.000 0.309 1281 F C -0.368 175.268 175.800 -0.274 0.000 1.098 1281 F CA -0.786 57.136 58.000 -0.129 0.000 0.937 1281 F CB 2.142 41.110 39.000 -0.053 0.000 1.250 1281 F HN 0.047 nan 8.300 nan 0.000 0.447 1282 L N 2.671 123.767 121.223 -0.212 0.000 2.410 1282 L HA 0.758 5.097 4.340 -0.001 0.000 0.270 1282 L C -1.730 174.932 176.870 -0.346 0.000 0.983 1282 L CA -0.311 54.281 54.840 -0.414 0.000 0.822 1282 L CB 1.686 43.314 42.059 -0.718 0.000 1.285 1282 L HN 0.801 nan 8.230 nan 0.000 0.409 1283 C N 3.321 122.479 119.300 -0.237 0.000 2.535 1283 C HA 0.388 4.848 4.460 -0.001 0.000 0.319 1283 C C 0.648 175.672 174.990 0.056 0.000 1.171 1283 C CA -0.690 58.228 59.018 -0.166 0.000 1.394 1283 C CB 1.557 29.262 27.740 -0.059 0.000 1.990 1283 C HN 0.798 nan 8.230 nan 0.000 0.466 1284 Y N 1.749 122.043 120.300 -0.011 0.000 2.475 1284 Y HA 0.301 4.850 4.550 -0.001 0.000 0.289 1284 Y C 1.727 177.710 175.900 0.138 0.000 1.121 1284 Y CA 1.010 59.149 58.100 0.065 0.000 1.257 1284 Y CB -0.916 37.568 38.460 0.041 0.000 1.026 1284 Y HN 1.090 nan 8.280 nan 0.000 0.555 1285 G N 0.579 109.506 108.800 0.213 0.000 2.758 1285 G HA2 0.020 3.979 3.960 -0.001 0.000 0.686 1285 G HA3 0.020 3.979 3.960 -0.001 0.000 0.686 1285 G C -1.191 173.488 174.900 -0.367 0.000 1.389 1285 G CA -0.170 45.031 45.100 0.167 0.000 0.845 1285 G HN 0.254 nan 8.290 nan 0.000 0.572 1286 D N -1.082 118.835 120.400 -0.805 0.000 2.764 1286 D HA 0.506 5.146 4.640 -0.001 0.000 0.293 1286 D C 0.157 176.002 176.300 -0.758 0.000 1.287 1286 D CA 0.147 53.524 54.000 -1.037 0.000 0.768 1286 D CB 0.795 41.441 40.800 -0.258 0.000 1.288 1286 D HN 1.613 nan 8.370 nan 0.000 0.426 1287 L N -0.469 120.452 121.223 -0.503 0.000 3.222 1287 L HA -0.110 4.230 4.340 -0.001 0.000 0.700 1287 L C -2.340 174.541 176.870 0.018 0.000 1.229 1287 L CA -0.367 54.333 54.840 -0.233 0.000 1.229 1287 L CB -1.042 40.921 42.059 -0.159 0.000 1.842 1287 L HN 0.277 nan 8.230 nan 0.000 0.905 1288 P HA 0.049 nan 4.420 nan 0.000 0.274 1288 P C 0.730 178.143 177.300 0.188 0.000 1.231 1288 P CA -0.106 63.184 63.100 0.317 0.000 0.790 1288 P CB 1.237 33.110 31.700 0.287 0.000 0.951 1289 T N 0.371 115.045 114.554 0.200 0.000 2.788 1289 T HA 0.050 4.400 4.350 -0.001 0.000 0.268 1289 T C 1.004 175.785 174.700 0.135 0.000 1.044 1289 T CA 1.769 63.983 62.100 0.189 0.000 1.139 1289 T CB -0.672 68.279 68.868 0.139 0.000 0.867 1289 T HN 0.637 nan 8.240 nan 0.000 0.454 1290 G N -1.272 107.580 108.800 0.087 0.000 3.262 1290 G HA2 0.623 4.583 3.960 -0.001 0.000 0.229 1290 G HA3 0.623 4.583 3.960 -0.001 0.000 0.229 1290 G C 1.011 175.927 174.900 0.027 0.000 1.280 1290 G CA 0.174 45.305 45.100 0.052 0.000 0.951 1290 G HN 0.173 nan 8.290 nan 0.000 0.589 1291 A N -0.589 122.239 122.820 0.014 0.000 1.930 1291 A HA 0.248 4.568 4.320 -0.001 0.000 0.217 1291 A C 1.803 179.389 177.584 0.003 0.000 1.175 1291 A CA 1.807 53.843 52.037 -0.001 0.000 0.627 1291 A CB -0.792 18.204 19.000 -0.005 0.000 0.815 1291 A HN 0.974 nan 8.150 nan 0.000 0.443 1292 S N -0.286 115.420 115.700 0.010 0.000 2.549 1292 S HA 0.318 4.787 4.470 -0.001 0.000 0.279 1292 S C 0.152 174.776 174.600 0.040 0.000 1.321 1292 S CA -0.537 57.670 58.200 0.011 0.000 1.054 1292 S CB 0.195 63.394 63.200 -0.002 0.000 0.899 1292 S HN 0.371 nan 8.310 nan 0.000 0.497 1293 L N 4.467 125.721 121.223 0.053 0.000 2.416 1293 L HA 0.178 4.517 4.340 -0.001 0.000 0.243 1293 L C -0.112 176.803 176.870 0.075 0.000 1.373 1293 L CA -0.078 54.848 54.840 0.144 0.000 1.227 1293 L CB -0.454 41.685 42.059 0.133 0.000 1.428 1293 L HN 0.667 nan 8.230 nan 0.000 0.425 1294 D N 2.069 122.447 120.400 -0.036 0.000 2.317 1294 D HA 0.216 4.855 4.640 -0.001 0.000 0.234 1294 D C -1.682 174.191 176.300 -0.711 0.000 1.112 1294 D CA -2.272 51.584 54.000 -0.239 0.000 0.840 1294 D CB 1.882 42.603 40.800 -0.130 0.000 1.078 1294 D HN 0.064 nan 8.370 nan 0.000 0.486 1295 P HA -0.105 nan 4.420 nan 0.000 0.219 1295 P C 0.870 177.688 177.300 -0.802 0.000 1.146 1295 P CA 1.159 63.335 63.100 -1.540 0.000 0.808 1295 P CB 0.183 31.519 31.700 -0.607 0.000 0.779 1296 A N -1.705 120.869 122.820 -0.409 0.000 2.172 1296 A HA -0.086 4.234 4.320 -0.001 0.000 0.216 1296 A C 2.051 179.571 177.584 -0.106 0.000 1.154 1296 A CA 1.739 53.668 52.037 -0.180 0.000 0.701 1296 A CB -1.273 17.659 19.000 -0.113 0.000 0.789 1296 A HN 0.147 nan 8.150 nan 0.000 0.465 1297 T N -1.118 113.351 114.554 -0.142 0.000 3.040 1297 T HA 0.346 4.695 4.350 -0.001 0.000 0.266 1297 T C -0.085 174.732 174.700 0.195 0.000 1.005 1297 T CA -0.471 61.639 62.100 0.018 0.000 0.906 1297 T CB -0.326 68.539 68.868 -0.004 0.000 1.082 1297 T HN 0.357 nan 8.240 nan 0.000 0.531 1298 F N 1.353 121.335 119.950 0.054 0.000 2.443 1298 F HA 0.259 4.786 4.527 -0.001 0.000 0.353 1298 F C 1.458 177.284 175.800 0.044 0.000 1.101 1298 F CA -0.815 57.220 58.000 0.058 0.000 1.226 1298 F CB 0.980 40.031 39.000 0.086 0.000 1.140 1298 F HN -0.004 nan 8.300 nan 0.000 0.557 1299 L N 2.880 124.196 121.223 0.156 0.000 2.017 1299 L HA -0.124 4.215 4.340 -0.001 0.000 0.208 1299 L C 0.149 176.955 176.870 -0.107 0.000 1.073 1299 L CA 1.417 56.221 54.840 -0.060 0.000 0.745 1299 L CB -0.005 41.884 42.059 -0.283 0.000 0.894 1299 L HN 0.334 nan 8.230 nan 0.000 0.432 1300 F N 1.431 121.414 119.950 0.055 0.000 2.405 1300 F HA 0.365 4.892 4.527 -0.001 0.000 0.355 1300 F C -1.840 174.045 175.800 0.142 0.000 1.121 1300 F CA -3.467 54.549 58.000 0.026 0.000 1.112 1300 F CB 0.306 39.280 39.000 -0.043 0.000 1.126 1300 F HN -0.036 nan 8.300 nan 0.000 0.481 1301 P HA 0.190 nan 4.420 nan 0.000 0.281 1301 P C -0.609 176.861 177.300 0.283 0.000 1.249 1301 P CA -0.715 62.574 63.100 0.315 0.000 0.810 1301 P CB 1.272 33.095 31.700 0.205 0.000 1.008 1302 R N 1.017 121.705 120.500 0.313 0.000 2.438 1302 R HA 0.551 4.890 4.340 -0.001 0.000 0.287 1302 R C 0.096 176.494 176.300 0.163 0.000 1.077 1302 R CA 0.439 56.693 56.100 0.255 0.000 1.034 1302 R CB -0.198 30.268 30.300 0.276 0.000 0.993 1302 R HN 0.853 nan 8.270 nan 0.000 0.459 1303 G N 0.904 109.775 108.800 0.118 0.000 2.339 1303 G HA2 0.404 4.364 3.960 -0.001 0.000 0.302 1303 G HA3 0.404 4.364 3.960 -0.001 0.000 0.302 1303 G C -2.047 172.824 174.900 -0.048 0.000 1.425 1303 G CA -0.322 44.819 45.100 0.068 0.000 0.899 1303 G HN 0.782 nan 8.290 nan 0.000 0.619 1304 A N -0.344 122.420 122.820 -0.093 0.000 2.386 1304 A HA 0.879 5.199 4.320 -0.001 0.000 0.311 1304 A C -0.629 176.955 177.584 -0.000 0.000 1.068 1304 A CA -0.619 51.261 52.037 -0.261 0.000 0.743 1304 A CB 1.188 19.632 19.000 -0.927 0.000 1.258 1304 A HN 0.937 nan 8.150 nan 0.000 0.429 1305 I N 2.184 122.785 120.570 0.051 0.000 2.404 1305 I HA 0.412 4.582 4.170 -0.001 0.000 0.293 1305 I C -0.696 175.523 176.117 0.171 0.000 0.992 1305 I CA -0.348 61.071 61.300 0.199 0.000 1.149 1305 I CB 1.563 39.724 38.000 0.269 0.000 1.315 1305 I HN 0.483 nan 8.210 nan 0.000 0.446 1306 L N 5.012 126.354 121.223 0.199 0.000 2.346 1306 L HA 0.436 4.775 4.340 -0.001 0.000 0.274 1306 L C -0.270 176.677 176.870 0.129 0.000 1.007 1306 L CA -0.795 54.116 54.840 0.118 0.000 0.818 1306 L CB 1.609 43.701 42.059 0.055 0.000 1.284 1306 L HN 0.665 nan 8.230 nan 0.000 0.424 1307 D N 2.835 123.279 120.400 0.074 0.000 2.701 1307 D HA -0.218 4.422 4.640 -0.001 0.000 0.235 1307 D C 0.337 176.648 176.300 0.017 0.000 1.155 1307 D CA 0.745 54.767 54.000 0.035 0.000 0.649 1307 D CB -0.689 40.134 40.800 0.038 0.000 1.050 1307 D HN 0.734 nan 8.370 nan 0.000 0.425 1308 R N -1.362 119.169 120.500 0.052 0.000 3.627 1308 R HA -0.224 4.116 4.340 -0.001 0.000 0.281 1308 R C -0.198 176.140 176.300 0.063 0.000 1.140 1308 R CA 1.140 57.219 56.100 -0.034 0.000 0.761 1308 R CB -1.398 28.593 30.300 -0.515 0.000 1.181 1308 R HN 0.271 nan 8.270 nan 0.000 0.472 1309 D N 0.625 121.098 120.400 0.122 0.000 2.443 1309 D HA 0.179 4.818 4.640 -0.001 0.000 0.221 1309 D C 0.949 177.332 176.300 0.138 0.000 1.097 1309 D CA -0.381 53.690 54.000 0.118 0.000 0.865 1309 D CB 0.677 41.547 40.800 0.117 0.000 1.034 1309 D HN 0.184 nan 8.370 nan 0.000 0.511 1310 L N 2.508 123.812 121.223 0.136 0.000 2.554 1310 L HA -0.016 4.324 4.340 -0.001 0.000 0.226 1310 L C 1.966 178.896 176.870 0.101 0.000 1.137 1310 L CA 0.339 55.262 54.840 0.138 0.000 0.863 1310 L CB -0.152 42.013 42.059 0.178 0.000 0.985 1310 L HN 0.346 nan 8.230 nan 0.000 0.451 1311 S N -2.212 113.536 115.700 0.080 0.000 2.593 1311 S HA 0.047 4.516 4.470 -0.001 0.000 0.217 1311 S C 0.651 175.264 174.600 0.022 0.000 0.966 1311 S CA -0.234 57.996 58.200 0.049 0.000 0.914 1311 S CB -0.084 63.143 63.200 0.045 0.000 0.776 1311 S HN 0.225 nan 8.310 nan 0.000 0.523 1312 T N 3.356 117.919 114.554 0.014 0.000 2.965 1312 T HA 0.472 4.821 4.350 -0.001 0.000 0.306 1312 T C -0.914 173.737 174.700 -0.083 0.000 0.991 1312 T CA -0.583 61.472 62.100 -0.075 0.000 1.001 1312 T CB 1.137 69.917 68.868 -0.146 0.000 0.984 1312 T HN 0.097 nan 8.240 nan 0.000 0.446 1313 I N 4.244 124.772 120.570 -0.069 0.000 2.297 1313 I HA 0.219 4.389 4.170 -0.001 0.000 0.291 1313 I C 0.817 176.904 176.117 -0.049 0.000 1.033 1313 I CA -0.693 60.603 61.300 -0.008 0.000 1.253 1313 I CB 0.015 38.035 38.000 0.033 0.000 1.396 1313 I HN 0.598 nan 8.210 nan 0.000 0.476 1314 H N 5.105 124.228 119.070 0.087 0.000 2.732 1314 H HA 0.200 4.756 4.556 -0.001 0.000 0.351 1314 H C 0.094 175.519 175.328 0.163 0.000 1.090 1314 H CA -0.057 56.084 56.048 0.154 0.000 1.431 1314 H CB 1.235 31.144 29.762 0.246 0.000 1.447 1314 H HN 0.501 nan 8.280 nan 0.000 0.582 1315 E N 1.296 121.683 120.200 0.312 0.000 2.383 1315 E HA 0.187 4.536 4.350 -0.001 0.000 0.264 1315 E C -0.343 176.487 176.600 0.385 0.000 1.050 1315 E CA -0.379 56.180 56.400 0.265 0.000 0.896 1315 E CB 1.528 31.349 29.700 0.201 0.000 0.982 1315 E HN 0.266 nan 8.360 nan 0.000 0.424 1316 V N 1.922 122.030 119.914 0.324 0.000 2.555 1316 V HA 0.432 4.552 4.120 -0.001 0.000 0.302 1316 V C -1.268 175.010 176.094 0.306 0.000 1.038 1316 V CA -0.615 61.943 62.300 0.429 0.000 0.887 1316 V CB 2.002 34.085 31.823 0.434 0.000 0.991 1316 V HN 0.634 nan 8.190 nan 0.000 0.434 1317 D N 4.209 124.802 120.400 0.321 0.000 2.505 1317 D HA 0.374 5.014 4.640 -0.001 0.000 0.250 1317 D C 0.477 176.930 176.300 0.255 0.000 1.164 1317 D CA -0.341 53.790 54.000 0.218 0.000 0.870 1317 D CB 1.942 42.843 40.800 0.168 0.000 1.160 1317 D HN 0.525 nan 8.370 nan 0.000 0.549 1318 L N 2.788 124.135 121.223 0.206 0.000 2.478 1318 L HA 0.088 4.427 4.340 -0.001 0.000 0.223 1318 L C 1.864 179.036 176.870 0.503 0.000 1.140 1318 L CA 0.907 55.922 54.840 0.292 0.000 0.842 1318 L CB 0.076 42.136 42.059 0.001 0.000 0.953 1318 L HN 0.453 nan 8.230 nan 0.000 0.452 1319 E N -0.162 120.233 120.200 0.325 0.000 2.460 1319 E HA 0.225 4.575 4.350 -0.001 0.000 0.200 1319 E C 0.797 177.400 176.600 0.006 0.000 1.011 1319 E CA 0.035 56.605 56.400 0.283 0.000 0.912 1319 E CB 0.367 30.235 29.700 0.280 0.000 0.953 1319 E HN 0.336 nan 8.360 nan 0.000 0.494 1320 A N 1.467 124.311 122.820 0.041 0.000 2.451 1320 A HA 0.066 4.385 4.320 -0.001 0.000 0.266 1320 A C 1.155 178.648 177.584 -0.151 0.000 1.119 1320 A CA 0.150 52.163 52.037 -0.041 0.000 0.786 1320 A CB 0.476 19.487 19.000 0.019 0.000 1.061 1320 A HN 0.004 nan 8.150 nan 0.000 0.503 1321 T N 2.198 116.615 114.554 -0.229 0.000 2.915 1321 T HA -0.022 4.328 4.350 -0.001 0.000 0.269 1321 T C 1.613 176.263 174.700 -0.082 0.000 1.071 1321 T CA 1.988 63.916 62.100 -0.287 0.000 1.132 1321 T CB -0.196 68.552 68.868 -0.200 0.000 0.878 1321 T HN 0.814 nan 8.240 nan 0.000 0.479 1322 G N -0.131 108.632 108.800 -0.061 0.000 3.141 1322 G HA2 0.156 4.116 3.960 -0.001 0.000 0.218 1322 G HA3 0.156 4.116 3.960 -0.001 0.000 0.218 1322 G C 1.021 175.888 174.900 -0.056 0.000 1.170 1322 G CA 0.187 45.260 45.100 -0.045 0.000 0.769 1322 G HN 0.570 nan 8.290 nan 0.000 0.546 1323 E N -0.234 119.951 120.200 -0.026 0.000 2.098 1323 E HA 0.202 4.552 4.350 -0.001 0.000 0.196 1323 E C 0.199 176.800 176.600 0.002 0.000 0.955 1323 E CA -0.378 55.951 56.400 -0.120 0.000 0.936 1323 E CB 0.145 29.789 29.700 -0.094 0.000 1.054 1323 E HN 0.199 nan 8.360 nan 0.000 0.482 1324 I N 2.354 123.048 120.570 0.206 0.000 2.337 1324 I HA 0.158 4.327 4.170 -0.001 0.000 0.291 1324 I C -0.448 175.673 176.117 0.007 0.000 1.046 1324 I CA 0.106 61.567 61.300 0.269 0.000 1.324 1324 I CB 1.130 39.329 38.000 0.332 0.000 1.409 1324 I HN 0.267 nan 8.210 nan 0.000 0.494 1325 Q N 5.675 125.451 119.800 -0.040 0.000 2.389 1325 Q HA 0.478 4.817 4.340 -0.001 0.000 0.277 1325 Q C -1.274 174.561 176.000 -0.276 0.000 1.082 1325 Q CA -0.905 54.763 55.803 -0.225 0.000 0.810 1325 Q CB 3.071 31.662 28.738 -0.244 0.000 1.374 1325 Q HN 0.504 nan 8.270 nan 0.000 0.422 1326 E N 1.547 121.525 120.200 -0.370 0.000 2.166 1326 E HA 0.431 4.780 4.350 -0.001 0.000 0.275 1326 E C -1.212 175.240 176.600 -0.247 0.000 0.941 1326 E CA -0.306 55.938 56.400 -0.260 0.000 0.784 1326 E CB 1.291 30.839 29.700 -0.253 0.000 1.115 1326 E HN 0.288 nan 8.360 nan 0.000 0.399 1327 F N 0.806 120.703 119.950 -0.089 0.000 2.497 1327 F HA 0.281 4.807 4.527 -0.001 0.000 0.331 1327 F C 0.959 176.623 175.800 -0.227 0.000 1.060 1327 F CA -0.758 57.188 58.000 -0.090 0.000 0.989 1327 F CB 1.514 40.460 39.000 -0.091 0.000 1.245 1327 F HN 0.261 nan 8.300 nan 0.000 0.486 1328 V N -1.744 118.077 119.914 -0.155 0.000 3.172 1328 V HA 0.246 4.366 4.120 -0.001 0.000 0.343 1328 V C 0.290 176.229 176.094 -0.258 0.000 1.429 1328 V CA -0.395 61.730 62.300 -0.293 0.000 1.149 1328 V CB -0.480 31.006 31.823 -0.562 0.000 1.106 1328 V HN 0.752 nan 8.190 nan 0.000 0.526 1329 N N 1.383 119.972 118.700 -0.186 0.000 2.272 1329 N HA -0.110 4.630 4.740 -0.001 0.000 0.185 1329 N C 0.960 176.090 175.510 -0.634 0.000 1.014 1329 N CA 2.041 54.890 53.050 -0.334 0.000 0.870 1329 N CB -0.380 37.935 38.487 -0.287 0.000 0.975 1329 N HN 0.823 nan 8.380 nan 0.000 0.433 1330 H N -1.676 117.233 119.070 -0.269 0.000 2.575 1330 H HA 0.424 4.980 4.556 -0.001 0.000 0.256 1330 H C -0.714 174.196 175.328 -0.695 0.000 1.162 1330 H CA -0.358 55.422 56.048 -0.445 0.000 0.969 1330 H CB 0.650 30.124 29.762 -0.481 0.000 1.796 1330 H HN -0.040 nan 8.280 nan 0.000 0.607 1331 S N -0.472 114.960 115.700 -0.447 0.000 2.600 1331 S HA 0.160 4.630 4.470 -0.001 0.000 0.300 1331 S C -0.563 173.801 174.600 -0.394 0.000 1.087 1331 S CA -0.890 57.032 58.200 -0.462 0.000 0.965 1331 S CB 1.366 64.505 63.200 -0.102 0.000 1.089 1331 S HN 0.358 nan 8.310 nan 0.000 0.496 1332 W N 2.563 123.595 121.300 -0.448 0.000 2.136 1332 W HA 0.371 5.030 4.660 -0.001 0.000 0.436 1332 W C -0.975 175.110 176.519 -0.724 0.000 0.624 1332 W CA -0.659 56.258 57.345 -0.713 0.000 2.276 1332 W CB -1.318 27.342 29.460 -1.334 0.000 1.277 1332 W HN 0.559 nan 8.180 nan 0.000 0.595 1333 Y N -0.306 119.994 120.300 0.000 0.000 2.605 1333 Y HA 0.386 4.936 4.550 -0.001 0.000 0.343 1333 Y C -0.118 175.751 175.900 -0.051 0.000 1.036 1333 Y CA -1.394 56.724 58.100 0.030 0.000 1.065 1333 Y CB 1.759 40.208 38.460 -0.019 0.000 1.288 1333 Y HN -0.177 nan 8.280 nan 0.000 0.481 1334 E N 0.477 120.800 120.200 0.206 0.000 2.176 1334 E HA 0.421 4.770 4.350 -0.001 0.000 0.267 1334 E C -1.927 174.843 176.600 0.285 0.000 0.893 1334 E CA -0.551 55.932 56.400 0.137 0.000 0.761 1334 E CB 0.777 30.550 29.700 0.122 0.000 1.133 1334 E HN 0.335 nan 8.360 nan 0.000 0.409 1335 Y N 1.968 122.292 120.300 0.041 0.000 2.330 1335 Y HA 0.134 4.683 4.550 -0.001 0.000 0.336 1335 Y C 1.542 177.443 175.900 0.002 0.000 1.036 1335 Y CA -1.317 56.785 58.100 0.004 0.000 1.125 1335 Y CB 1.802 40.243 38.460 -0.032 0.000 1.194 1335 Y HN 0.671 nan 8.280 nan 0.000 0.469 1336 S N 0.244 116.026 115.700 0.137 0.000 2.442 1336 S HA -0.116 4.353 4.470 -0.001 0.000 0.236 1336 S C 1.393 176.024 174.600 0.052 0.000 1.007 1336 S CA 1.154 59.395 58.200 0.068 0.000 0.965 1336 S CB -0.832 62.385 63.200 0.028 0.000 0.773 1336 S HN 0.525 nan 8.310 nan 0.000 0.504 1337 V N -1.796 118.148 119.914 0.050 0.000 3.623 1337 V HA 0.597 4.717 4.120 -0.001 0.000 0.271 1337 V C 1.010 177.141 176.094 0.063 0.000 1.248 1337 V CA -0.093 62.225 62.300 0.031 0.000 1.156 1337 V CB -1.395 30.420 31.823 -0.015 0.000 0.870 1337 V HN 0.937 nan 8.190 nan 0.000 0.453 1338 G N 0.827 109.688 108.800 0.101 0.000 2.742 1338 G HA2 -0.147 3.812 3.960 -0.001 0.000 0.686 1338 G HA3 -0.147 3.812 3.960 -0.001 0.000 0.686 1338 G C -0.365 174.595 174.900 0.100 0.000 1.220 1338 G CA -0.148 44.999 45.100 0.079 0.000 0.783 1338 G HN 0.173 nan 8.290 nan 0.000 0.646 1339 N N 0.214 118.927 118.700 0.023 0.000 2.461 1339 N HA 0.042 4.781 4.740 -0.001 0.000 0.188 1339 N C 0.957 176.434 175.510 -0.054 0.000 1.134 1339 N CA 0.649 53.656 53.050 -0.072 0.000 0.878 1339 N CB 0.319 38.738 38.487 -0.113 0.000 0.972 1339 N HN 0.556 nan 8.380 nan 0.000 0.456 1340 D N -0.050 120.364 120.400 0.024 0.000 2.350 1340 D HA 0.012 4.652 4.640 -0.001 0.000 0.213 1340 D C 0.606 177.024 176.300 0.196 0.000 1.031 1340 D CA 0.221 54.269 54.000 0.081 0.000 0.861 1340 D CB 0.490 41.318 40.800 0.048 0.000 0.926 1340 D HN 0.053 nan 8.370 nan 0.000 0.520 1341 R N 0.346 120.943 120.500 0.162 0.000 2.404 1341 R HA 0.524 4.863 4.340 -0.001 0.000 0.291 1341 R C 0.220 176.468 176.300 -0.087 0.000 1.025 1341 R CA -0.243 55.920 56.100 0.106 0.000 0.991 1341 R CB 1.080 31.428 30.300 0.081 0.000 1.053 1341 R HN -0.093 nan 8.270 nan 0.000 0.479 1342 G N 3.498 111.959 108.800 -0.565 0.000 2.356 1342 G HA2 0.484 4.443 3.960 -0.001 0.000 0.298 1342 G HA3 0.484 4.443 3.960 -0.001 0.000 0.298 1342 G C -0.988 173.578 174.900 -0.557 0.000 1.145 1342 G CA -0.607 43.733 45.100 -1.267 0.000 0.850 1342 G HN 0.453 nan 8.290 nan 0.000 0.487 1343 L N 1.554 122.488 121.223 -0.482 0.000 2.333 1343 L HA 0.299 4.638 4.340 -0.001 0.000 0.280 1343 L C 0.161 176.814 176.870 -0.362 0.000 1.004 1343 L CA -1.133 53.455 54.840 -0.419 0.000 0.820 1343 L CB 1.923 43.603 42.059 -0.630 0.000 1.247 1343 L HN 0.715 nan 8.230 nan 0.000 0.416 1344 H N 5.109 123.973 119.070 -0.343 0.000 2.790 1344 H HA 0.085 4.641 4.556 -0.001 0.000 0.358 1344 H C -1.862 173.185 175.328 -0.469 0.000 1.103 1344 H CA -0.722 55.103 56.048 -0.371 0.000 1.426 1344 H CB 1.246 30.864 29.762 -0.240 0.000 1.424 1344 H HN 0.293 nan 8.280 nan 0.000 0.599 1345 P HA -0.136 nan 4.420 nan 0.000 0.222 1345 P C 0.658 177.651 177.300 -0.511 0.000 1.147 1345 P CA 1.369 63.861 63.100 -1.014 0.000 0.790 1345 P CB -0.016 30.659 31.700 -1.709 0.000 0.780 1346 Y N 0.812 120.959 120.300 -0.255 0.000 2.403 1346 Y HA -0.137 4.413 4.550 -0.001 0.000 0.291 1346 Y C 1.695 177.578 175.900 -0.028 0.000 1.143 1346 Y CA 0.485 58.608 58.100 0.038 0.000 1.257 1346 Y CB -0.135 38.444 38.460 0.199 0.000 0.984 1346 Y HN 0.153 nan 8.280 nan 0.000 0.550 1347 E N -0.156 120.081 120.200 0.063 0.000 2.685 1347 E HA 0.214 4.563 4.350 -0.001 0.000 0.208 1347 E C 0.686 177.176 176.600 -0.183 0.000 0.996 1347 E CA -0.199 56.169 56.400 -0.053 0.000 1.054 1347 E CB 0.283 29.943 29.700 -0.067 0.000 1.075 1347 E HN 0.182 nan 8.360 nan 0.000 0.460 1348 G N 1.178 109.852 108.800 -0.211 0.000 2.559 1348 G HA2 0.084 4.043 3.960 -0.001 0.000 0.235 1348 G HA3 0.084 4.043 3.960 -0.001 0.000 0.235 1348 G C -0.422 174.358 174.900 -0.201 0.000 1.266 1348 G CA -0.059 44.876 45.100 -0.275 0.000 0.847 1348 G HN 0.166 nan 8.290 nan 0.000 0.583 1349 Q N -0.882 118.785 119.800 -0.222 0.000 2.331 1349 Q HA 0.462 4.802 4.340 -0.001 0.000 0.272 1349 Q C -0.781 175.250 176.000 0.051 0.000 1.062 1349 Q CA -0.609 55.142 55.803 -0.085 0.000 0.806 1349 Q CB 2.427 31.085 28.738 -0.132 0.000 1.312 1349 Q HN 0.560 nan 8.270 nan 0.000 0.431 1350 T N 1.580 116.195 114.554 0.102 0.000 3.241 1350 T HA 0.332 4.682 4.350 -0.001 0.000 0.387 1350 T C -1.169 173.701 174.700 0.283 0.000 1.451 1350 T CA -0.648 61.561 62.100 0.181 0.000 1.363 1350 T CB -0.207 68.724 68.868 0.105 0.000 1.074 1350 T HN 0.427 nan 8.240 nan 0.000 0.598 1351 N N 4.685 123.610 118.700 0.374 0.000 2.476 1351 N HA 0.338 5.077 4.740 -0.001 0.000 0.257 1351 N C -0.267 175.450 175.510 0.344 0.000 0.970 1351 N CA -0.485 52.739 53.050 0.290 0.000 0.938 1351 N CB 1.843 40.462 38.487 0.220 0.000 1.144 1351 N HN 0.603 nan 8.380 nan 0.000 0.500 1352 L N 1.439 122.817 121.223 0.259 0.000 2.410 1352 L HA 0.216 4.556 4.340 -0.001 0.000 0.273 1352 L C 0.575 177.566 176.870 0.201 0.000 1.152 1352 L CA 0.215 55.200 54.840 0.241 0.000 0.855 1352 L CB 0.220 42.384 42.059 0.175 0.000 1.129 1352 L HN 0.454 nan 8.230 nan 0.000 0.463 1353 E N 2.135 122.428 120.200 0.155 0.000 2.759 1353 E HA 0.089 4.439 4.350 -0.001 0.000 0.318 1353 E C -0.412 176.181 176.600 -0.013 0.000 1.093 1353 E CA -0.320 56.131 56.400 0.084 0.000 0.762 1353 E CB 0.425 30.158 29.700 0.055 0.000 1.543 1353 E HN 0.436 nan 8.360 nan 0.000 0.381 1354 Y N 3.148 123.335 120.300 -0.188 0.000 2.153 1354 Y HA -0.064 4.485 4.550 -0.001 0.000 0.289 1354 Y C 1.236 176.901 175.900 -0.392 0.000 1.119 1354 Y CA 1.772 59.535 58.100 -0.561 0.000 1.116 1354 Y CB 0.437 38.621 38.460 -0.460 0.000 1.004 1354 Y HN 0.429 nan 8.280 nan 0.000 0.501 1355 D N 0.030 120.371 120.400 -0.099 0.000 2.084 1355 D HA -0.157 4.483 4.640 -0.001 0.000 0.194 1355 D C 2.019 178.231 176.300 -0.145 0.000 0.990 1355 D CA 1.598 55.521 54.000 -0.128 0.000 0.826 1355 D CB -0.308 40.481 40.800 -0.019 0.000 0.971 1355 D HN 0.354 nan 8.370 nan 0.000 0.453 1356 R N 0.095 120.544 120.500 -0.085 0.000 2.299 1356 R HA 0.128 4.468 4.340 -0.001 0.000 0.197 1356 R C 1.077 177.336 176.300 -0.068 0.000 0.971 1356 R CA 0.249 56.312 56.100 -0.062 0.000 1.030 1356 R CB 0.363 30.645 30.300 -0.029 0.000 0.932 1356 R HN -0.016 nan 8.270 nan 0.000 0.477 1357 R N -0.046 120.407 120.500 -0.078 0.000 2.466 1357 R HA 0.155 4.494 4.340 -0.001 0.000 0.279 1357 R C 0.720 177.002 176.300 -0.029 0.000 0.976 1357 R CA 0.330 56.409 56.100 -0.034 0.000 1.081 1357 R CB 0.591 30.910 30.300 0.032 0.000 1.215 1357 R HN 0.372 nan 8.270 nan 0.000 0.546 1358 G N 0.429 109.144 108.800 -0.142 0.000 2.136 1358 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.242 1358 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.242 1358 G C 0.556 175.282 174.900 -0.290 0.000 0.989 1358 G CA -0.057 44.948 45.100 -0.158 0.000 0.682 1358 G HN 0.541 nan 8.290 nan 0.000 0.522 1359 G N -0.546 107.792 108.800 -0.771 0.000 2.265 1359 G HA2 0.483 4.443 3.960 -0.001 0.000 0.240 1359 G HA3 0.483 4.443 3.960 -0.001 0.000 0.240 1359 G C 0.356 174.571 174.900 -1.143 0.000 1.270 1359 G CA 0.451 44.370 45.100 -1.968 0.000 0.901 1359 G HN 1.039 nan 8.290 nan 0.000 0.507 1360 V N 2.785 122.271 119.914 -0.713 0.000 2.432 1360 V HA 0.456 4.576 4.120 -0.001 0.000 0.275 1360 V C 1.035 177.116 176.094 -0.022 0.000 1.043 1360 V CA -0.568 61.524 62.300 -0.347 0.000 0.925 1360 V CB 1.048 32.587 31.823 -0.475 0.000 0.985 1360 V HN 1.047 nan 8.190 nan 0.000 0.466 1361 A N 8.050 130.912 122.820 0.071 0.000 2.545 1361 A HA 0.382 4.701 4.320 -0.001 0.000 0.253 1361 A C -2.018 175.716 177.584 0.251 0.000 1.074 1361 A CA -0.695 51.440 52.037 0.164 0.000 0.760 1361 A CB -0.634 18.415 19.000 0.082 0.000 1.005 1361 A HN 0.715 nan 8.150 nan 0.000 0.506 1362 P HA 0.158 nan 4.420 nan 0.000 0.267 1362 P C -2.209 175.151 177.300 0.099 0.000 1.201 1362 P CA -0.450 62.772 63.100 0.204 0.000 0.775 1362 P CB -0.169 31.576 31.700 0.076 0.000 0.854 1363 P HA 0.243 nan 4.420 nan 0.000 0.284 1363 P C -1.360 175.982 177.300 0.070 0.000 1.253 1363 P CA -0.213 62.882 63.100 -0.008 0.000 0.800 1363 P CB 0.520 32.201 31.700 -0.031 0.000 0.961 1364 Y N -0.851 119.468 120.300 0.031 0.000 2.634 1364 Y HA 0.614 5.164 4.550 -0.001 0.000 0.340 1364 Y C 0.657 176.577 175.900 0.033 0.000 1.058 1364 Y CA -1.078 57.040 58.100 0.031 0.000 1.081 1364 Y CB 1.467 39.951 38.460 0.040 0.000 1.295 1364 Y HN 0.119 nan 8.280 nan 0.000 0.487 1365 K N -0.548 120.017 120.400 0.275 0.000 2.399 1365 K HA 0.291 4.610 4.320 -0.001 0.000 0.196 1365 K C -0.560 176.174 176.600 0.223 0.000 1.103 1365 K CA 0.191 56.576 56.287 0.162 0.000 0.986 1365 K CB 0.720 33.272 32.500 0.086 0.000 0.952 1365 K HN 0.525 nan 8.250 nan 0.000 0.541 1366 Q N 0.790 120.751 119.800 0.268 0.000 2.315 1366 Q HA 0.328 4.668 4.340 -0.001 0.000 0.273 1366 Q C -0.919 175.095 176.000 0.024 0.000 1.053 1366 Q CA -0.501 55.378 55.803 0.127 0.000 0.817 1366 Q CB 2.555 31.306 28.738 0.022 0.000 1.326 1366 Q HN 0.068 nan 8.270 nan 0.000 0.423 1367 L N 1.190 122.393 121.223 -0.033 0.000 2.472 1367 L HA 0.156 4.496 4.340 -0.001 0.000 0.260 1367 L C 0.500 177.266 176.870 -0.173 0.000 1.209 1367 L CA -0.009 54.742 54.840 -0.149 0.000 0.817 1367 L CB 0.313 42.328 42.059 -0.073 0.000 1.106 1367 L HN 0.525 nan 8.230 nan 0.000 0.479 1368 D N 0.781 121.090 120.400 -0.153 0.000 2.329 1368 D HA 0.166 4.806 4.640 -0.001 0.000 0.232 1368 D C 0.035 176.260 176.300 -0.126 0.000 1.088 1368 D CA -0.219 53.696 54.000 -0.141 0.000 0.835 1368 D CB 1.909 42.642 40.800 -0.111 0.000 1.078 1368 D HN 0.126 nan 8.370 nan 0.000 0.495 1369 V N 3.320 123.089 119.914 -0.241 0.000 3.621 1369 V HA -0.050 4.069 4.120 -0.001 0.000 0.285 1369 V C 1.965 178.026 176.094 -0.056 0.000 1.346 1369 V CA 1.101 63.193 62.300 -0.347 0.000 1.104 1369 V CB 0.002 31.265 31.823 -0.934 0.000 0.913 1369 V HN 0.675 nan 8.190 nan 0.000 0.432 1370 S N -1.056 114.637 115.700 -0.012 0.000 2.461 1370 S HA -0.044 4.426 4.470 -0.001 0.000 0.228 1370 S C 0.993 175.688 174.600 0.160 0.000 1.005 1370 S CA 1.123 59.367 58.200 0.073 0.000 0.942 1370 S CB 0.273 63.476 63.200 0.005 0.000 0.776 1370 S HN 0.634 nan 8.310 nan 0.000 0.514 1371 D N 0.698 121.171 120.400 0.122 0.000 3.604 1371 D HA 0.457 5.096 4.640 -0.001 0.000 0.181 1371 D C 0.455 176.766 176.300 0.017 0.000 1.161 1371 D CA 0.209 54.213 54.000 0.007 0.000 1.302 1371 D CB 0.019 40.783 40.800 -0.060 0.000 1.058 1371 D HN 0.253 nan 8.370 nan 0.000 0.348 1372 G N -0.837 107.885 108.800 -0.129 0.000 2.398 1372 G HA2 0.339 4.298 3.960 -0.001 0.000 0.246 1372 G HA3 0.339 4.298 3.960 -0.001 0.000 0.246 1372 G C -0.455 174.154 174.900 -0.486 0.000 1.289 1372 G CA 0.370 45.202 45.100 -0.446 0.000 0.869 1372 G HN 0.559 nan 8.290 nan 0.000 0.543 1373 Y N -0.090 119.641 120.300 -0.948 0.000 2.779 1373 Y HA 0.640 5.190 4.550 -0.001 0.000 0.251 1373 Y C 0.170 175.247 175.900 -1.371 0.000 1.145 1373 Y CA -0.560 57.005 58.100 -0.891 0.000 1.201 1373 Y CB 0.213 38.462 38.460 -0.352 0.000 1.281 1373 Y HN 0.603 nan 8.280 nan 0.000 0.563 1374 S N -0.672 113.754 115.700 -2.124 0.000 2.543 1374 S HA 0.208 4.678 4.470 -0.001 0.000 0.274 1374 S C -0.974 173.096 174.600 -0.883 0.000 1.149 1374 S CA -0.745 56.755 58.200 -1.167 0.000 0.866 1374 S CB 0.166 63.016 63.200 -0.583 0.000 1.111 1374 S HN 0.434 nan 8.310 nan 0.000 0.457 1375 W N 2.892 124.219 121.300 0.045 0.000 2.825 1375 W HA 0.251 4.911 4.660 -0.001 0.000 0.243 1375 W C 0.595 177.231 176.519 0.194 0.000 1.293 1375 W CA -0.290 57.185 57.345 0.217 0.000 1.403 1375 W CB 0.138 29.765 29.460 0.278 0.000 1.134 1375 W HN 0.289 nan 8.180 nan 0.000 0.666 1376 L N 1.688 123.027 121.223 0.193 0.000 2.349 1376 L HA 0.216 4.556 4.340 -0.001 0.000 0.275 1376 L C 0.708 177.582 176.870 0.006 0.000 1.115 1376 L CA -0.502 54.383 54.840 0.075 0.000 0.820 1376 L CB 0.415 42.453 42.059 -0.035 0.000 1.135 1376 L HN -0.157 nan 8.230 nan 0.000 0.445 1377 K N 1.650 122.005 120.400 -0.075 0.000 2.230 1377 K HA 0.377 4.696 4.320 -0.001 0.000 0.253 1377 K C 0.002 176.501 176.600 -0.167 0.000 1.008 1377 K CA -0.371 55.813 56.287 -0.172 0.000 0.910 1377 K CB 0.606 32.949 32.500 -0.261 0.000 0.994 1377 K HN 0.724 nan 8.250 nan 0.000 0.495 1378 A N 3.356 126.094 122.820 -0.136 0.000 2.540 1378 A HA 0.344 4.663 4.320 -0.001 0.000 0.340 1378 A C -2.421 175.103 177.584 -0.100 0.000 1.424 1378 A CA -1.758 50.213 52.037 -0.111 0.000 0.940 1378 A CB 0.035 19.000 19.000 -0.058 0.000 1.149 1378 A HN 0.315 nan 8.150 nan 0.000 0.505 1379 P HA 0.424 nan 4.420 nan 0.000 0.275 1379 P C -0.549 176.578 177.300 -0.288 0.000 1.227 1379 P CA -0.168 62.582 63.100 -0.583 0.000 0.781 1379 P CB 0.829 31.629 31.700 -1.499 0.000 0.906 1380 R N 1.626 122.144 120.500 0.031 0.000 2.795 1380 R HA 0.399 4.738 4.340 -0.001 0.000 0.275 1380 R C -1.574 175.089 176.300 0.605 0.000 0.981 1380 R CA -0.536 55.797 56.100 0.388 0.000 0.917 1380 R CB 1.724 32.208 30.300 0.307 0.000 1.202 1380 R HN 0.611 nan 8.270 nan 0.000 0.469 1381 W N 3.959 125.536 121.300 0.462 0.000 2.336 1381 W HA 0.301 4.961 4.660 -0.001 0.000 0.315 1381 W C -0.183 176.462 176.519 0.211 0.000 1.016 1381 W CA -0.517 57.053 57.345 0.374 0.000 1.318 1381 W CB 0.639 30.256 29.460 0.261 0.000 1.247 1381 W HN 0.668 nan 8.180 nan 0.000 0.414 1382 K N 4.811 125.022 120.400 -0.316 0.000 3.077 1382 K HA -0.225 4.095 4.320 -0.001 0.000 0.264 1382 K C 0.993 177.553 176.600 -0.067 0.000 1.008 1382 K CA 1.099 57.189 56.287 -0.329 0.000 0.740 1382 K CB -1.551 30.532 32.500 -0.694 0.000 1.273 1382 K HN 1.239 nan 8.250 nan 0.000 0.477 1383 G N -0.042 108.800 108.800 0.070 0.000 2.184 1383 G HA2 -0.370 3.590 3.960 -0.001 0.000 0.264 1383 G HA3 -0.370 3.590 3.960 -0.001 0.000 0.264 1383 G C 0.009 174.951 174.900 0.071 0.000 0.975 1383 G CA 0.792 45.928 45.100 0.060 0.000 0.642 1383 G HN 0.429 nan 8.290 nan 0.000 0.536 1384 R N 0.571 121.175 120.500 0.172 0.000 2.368 1384 R HA 0.553 4.893 4.340 -0.001 0.000 0.302 1384 R C 0.033 176.472 176.300 0.232 0.000 1.002 1384 R CA -0.383 55.827 56.100 0.185 0.000 0.929 1384 R CB 1.281 31.719 30.300 0.230 0.000 1.073 1384 R HN 0.148 nan 8.270 nan 0.000 0.464 1385 S N 1.791 117.571 115.700 0.133 0.000 2.533 1385 S HA 0.201 4.670 4.470 -0.001 0.000 0.282 1385 S C 0.153 174.812 174.600 0.098 0.000 1.304 1385 S CA -0.616 57.665 58.200 0.135 0.000 1.063 1385 S CB 0.684 63.913 63.200 0.048 0.000 0.881 1385 S HN 0.431 nan 8.310 nan 0.000 0.493 1386 V N 1.364 121.353 119.914 0.125 0.000 3.102 1386 V HA 0.715 4.835 4.120 -0.001 0.000 0.312 1386 V C -0.633 175.418 176.094 -0.071 0.000 1.135 1386 V CA -1.114 61.145 62.300 -0.068 0.000 1.022 1386 V CB 1.951 33.674 31.823 -0.166 0.000 1.056 1386 V HN 0.809 nan 8.190 nan 0.000 0.436 1387 E N 1.281 121.343 120.200 -0.230 0.000 2.179 1387 E HA 0.700 5.049 4.350 -0.001 0.000 0.275 1387 E C -0.781 175.797 176.600 -0.036 0.000 0.945 1387 E CA -0.770 55.610 56.400 -0.034 0.000 0.792 1387 E CB 2.106 31.825 29.700 0.031 0.000 1.125 1387 E HN 1.068 nan 8.360 nan 0.000 0.397 1388 V N 0.858 120.775 119.914 0.005 0.000 3.103 1388 V HA 1.012 5.131 4.120 -0.001 0.000 0.318 1388 V C 0.444 176.559 176.094 0.035 0.000 1.114 1388 V CA 0.234 62.477 62.300 -0.096 0.000 1.020 1388 V CB 0.905 32.557 31.823 -0.286 0.000 1.085 1388 V HN 1.035 nan 8.190 nan 0.000 0.446 1389 G N 1.693 110.472 108.800 -0.035 0.000 2.362 1389 G HA2 0.031 3.990 3.960 -0.001 0.000 0.517 1389 G HA3 0.031 3.990 3.960 -0.001 0.000 0.517 1389 G C -2.632 172.237 174.900 -0.051 0.000 1.256 1389 G CA -0.024 45.069 45.100 -0.012 0.000 1.027 1389 G HN 0.602 nan 8.290 nan 0.000 0.491 1390 P HA -0.004 nan 4.420 nan 0.000 0.216 1390 P C 2.237 179.468 177.300 -0.114 0.000 1.150 1390 P CA 1.418 64.473 63.100 -0.075 0.000 0.837 1390 P CB 0.093 31.732 31.700 -0.102 0.000 0.786 1391 L N -0.439 120.720 121.223 -0.106 0.000 2.072 1391 L HA -0.012 4.328 4.340 -0.001 0.000 0.205 1391 L C 2.194 178.913 176.870 -0.252 0.000 1.079 1391 L CA 1.851 56.583 54.840 -0.179 0.000 0.752 1391 L CB -1.595 40.380 42.059 -0.140 0.000 0.906 1391 L HN -0.136 nan 8.230 nan 0.000 0.436 1392 A N -0.149 122.627 122.820 -0.075 0.000 1.892 1392 A HA -0.276 4.044 4.320 -0.001 0.000 0.218 1392 A C 2.472 179.975 177.584 -0.135 0.000 1.188 1392 A CA 2.206 54.215 52.037 -0.046 0.000 0.631 1392 A CB -0.607 18.451 19.000 0.097 0.000 0.822 1392 A HN 0.523 nan 8.150 nan 0.000 0.447 1393 R N -1.033 119.367 120.500 -0.166 0.000 2.073 1393 R HA -0.033 4.307 4.340 -0.001 0.000 0.229 1393 R C 2.078 178.316 176.300 -0.104 0.000 1.120 1393 R CA 1.312 57.293 56.100 -0.199 0.000 0.967 1393 R CB -0.484 29.541 30.300 -0.459 0.000 0.862 1393 R HN 0.401 nan 8.270 nan 0.000 0.436 1394 V N 1.641 121.482 119.914 -0.122 0.000 2.343 1394 V HA -0.223 3.896 4.120 -0.001 0.000 0.247 1394 V C 2.261 178.298 176.094 -0.095 0.000 1.051 1394 V CA 1.608 63.855 62.300 -0.087 0.000 1.036 1394 V CB -0.398 31.352 31.823 -0.121 0.000 0.654 1394 V HN 0.273 nan 8.190 nan 0.000 0.451 1395 L N -1.398 119.701 121.223 -0.206 0.000 2.083 1395 L HA -0.222 4.118 4.340 -0.001 0.000 0.209 1395 L C 2.472 179.329 176.870 -0.022 0.000 1.083 1395 L CA 1.543 56.270 54.840 -0.189 0.000 0.752 1395 L CB -0.532 41.285 42.059 -0.404 0.000 0.899 1395 L HN 0.326 nan 8.230 nan 0.000 0.433 1396 M N -0.354 119.233 119.600 -0.021 0.000 2.132 1396 M HA -0.129 4.350 4.480 -0.001 0.000 0.263 1396 M C 2.096 178.448 176.300 0.086 0.000 1.065 1396 M CA 1.740 57.065 55.300 0.042 0.000 1.122 1396 M CB -0.297 32.327 32.600 0.039 0.000 1.365 1396 M HN 0.067 nan 8.290 nan 0.000 0.411 1397 L N -2.058 119.218 121.223 0.088 0.000 2.046 1397 L HA -0.255 4.085 4.340 -0.001 0.000 0.208 1397 L C 2.355 179.309 176.870 0.140 0.000 1.077 1397 L CA 1.544 56.445 54.840 0.103 0.000 0.747 1397 L CB -0.876 41.203 42.059 0.034 0.000 0.896 1397 L HN 0.299 nan 8.230 nan 0.000 0.432 1398 Y N 0.347 120.652 120.300 0.008 0.000 2.163 1398 Y HA -0.272 4.278 4.550 -0.001 0.000 0.288 1398 Y C 2.541 178.451 175.900 0.016 0.000 1.136 1398 Y CA 1.474 59.578 58.100 0.005 0.000 1.147 1398 Y CB -0.160 38.275 38.460 -0.041 0.000 0.987 1398 Y HN 0.118 nan 8.280 nan 0.000 0.509 1399 A N -0.843 122.082 122.820 0.176 0.000 1.978 1399 A HA -0.207 4.113 4.320 -0.001 0.000 0.220 1399 A C 2.021 179.627 177.584 0.037 0.000 1.170 1399 A CA 2.176 54.273 52.037 0.100 0.000 0.636 1399 A CB -1.304 17.760 19.000 0.107 0.000 0.810 1399 A HN 0.556 nan 8.150 nan 0.000 0.448 1400 T N -4.420 110.163 114.554 0.048 0.000 3.122 1400 T HA 0.429 4.779 4.350 -0.001 0.000 0.250 1400 T C 1.174 175.888 174.700 0.023 0.000 1.067 1400 T CA 0.908 63.034 62.100 0.044 0.000 0.966 1400 T CB 0.021 68.936 68.868 0.078 0.000 1.002 1400 T HN 1.685 nan 8.240 nan 0.000 0.542 1401 G N 1.549 110.334 108.800 -0.025 0.000 2.147 1401 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.244 1401 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.244 1401 G C -0.119 174.771 174.900 -0.017 0.000 1.005 1401 G CA 0.101 45.162 45.100 -0.065 0.000 0.713 1401 G HN 0.956 nan 8.290 nan 0.000 0.515 1402 H N 0.753 119.791 119.070 -0.052 0.000 3.091 1402 H HA 0.330 4.886 4.556 -0.001 0.000 0.289 1402 H C 1.447 176.745 175.328 -0.051 0.000 0.995 1402 H CA 0.503 56.533 56.048 -0.030 0.000 1.461 1402 H CB 0.550 30.317 29.762 0.010 0.000 1.510 1402 H HN 0.157 nan 8.280 nan 0.000 0.546 1403 D N 3.474 123.723 120.400 -0.252 0.000 2.097 1403 D HA -0.211 4.429 4.640 -0.001 0.000 0.195 1403 D C 1.821 178.080 176.300 -0.068 0.000 0.989 1403 D CA 1.259 55.167 54.000 -0.152 0.000 0.827 1403 D CB -0.039 40.658 40.800 -0.173 0.000 0.966 1403 D HN 0.789 nan 8.370 nan 0.000 0.456 1404 Q N 0.375 120.120 119.800 -0.092 0.000 2.079 1404 Q HA -0.113 4.226 4.340 -0.001 0.000 0.200 1404 Q C 2.022 178.124 176.000 0.170 0.000 0.974 1404 Q CA 1.465 57.302 55.803 0.057 0.000 0.840 1404 Q CB -0.007 28.780 28.738 0.082 0.000 0.898 1404 Q HN 0.174 nan 8.270 nan 0.000 0.430 1405 A N 1.183 124.223 122.820 0.366 0.000 1.902 1405 A HA -0.173 4.147 4.320 -0.001 0.000 0.217 1405 A C 2.089 179.788 177.584 0.192 0.000 1.181 1405 A CA 1.262 53.430 52.037 0.218 0.000 0.623 1405 A CB -0.473 18.637 19.000 0.184 0.000 0.818 1405 A HN 0.330 nan 8.150 nan 0.000 0.443 1406 R N 0.001 120.586 120.500 0.141 0.000 2.083 1406 R HA -0.191 4.149 4.340 -0.001 0.000 0.237 1406 R C 2.055 178.419 176.300 0.106 0.000 1.137 1406 R CA 1.850 58.002 56.100 0.086 0.000 0.951 1406 R CB -0.525 29.686 30.300 -0.148 0.000 0.851 1406 R HN 0.798 nan 8.270 nan 0.000 0.434 1407 E N 0.621 120.849 120.200 0.047 0.000 2.110 1407 E HA -0.174 4.175 4.350 -0.001 0.000 0.193 1407 E C 1.879 178.497 176.600 0.029 0.000 0.988 1407 E CA 0.830 57.246 56.400 0.026 0.000 0.804 1407 E CB -0.158 29.541 29.700 -0.001 0.000 0.745 1407 E HN 0.067 nan 8.360 nan 0.000 0.458 1408 L N 0.621 121.866 121.223 0.036 0.000 2.072 1408 L HA -0.077 4.263 4.340 -0.001 0.000 0.205 1408 L C 2.285 179.151 176.870 -0.005 0.000 1.079 1408 L CA 1.086 55.928 54.840 0.003 0.000 0.752 1408 L CB -0.599 41.462 42.059 0.003 0.000 0.906 1408 L HN 0.073 nan 8.230 nan 0.000 0.436 1409 V N -0.215 119.722 119.914 0.039 0.000 2.307 1409 V HA -0.265 3.855 4.120 -0.001 0.000 0.245 1409 V C 2.207 178.297 176.094 -0.007 0.000 1.045 1409 V CA 1.775 64.069 62.300 -0.011 0.000 1.024 1409 V CB -0.495 31.320 31.823 -0.014 0.000 0.651 1409 V HN 0.387 nan 8.190 nan 0.000 0.449 1410 D N -0.223 120.224 120.400 0.078 0.000 2.144 1410 D HA -0.125 4.514 4.640 -0.001 0.000 0.199 1410 D C 2.430 178.730 176.300 0.001 0.000 0.984 1410 D CA 1.507 55.538 54.000 0.051 0.000 0.834 1410 D CB -0.279 40.572 40.800 0.085 0.000 0.955 1410 D HN 0.331 nan 8.370 nan 0.000 0.465 1411 S N 0.086 115.782 115.700 -0.008 0.000 2.359 1411 S HA -0.170 4.300 4.470 -0.001 0.000 0.223 1411 S C 2.124 176.695 174.600 -0.050 0.000 1.039 1411 S CA 1.767 59.949 58.200 -0.030 0.000 1.042 1411 S CB -0.419 62.759 63.200 -0.036 0.000 0.915 1411 S HN 0.320 nan 8.310 nan 0.000 0.439 1412 T N 2.618 117.134 114.554 -0.064 0.000 2.708 1412 T HA 0.010 4.360 4.350 -0.001 0.000 0.266 1412 T C 1.787 176.437 174.700 -0.084 0.000 1.037 1412 T CA 1.108 63.155 62.100 -0.088 0.000 1.146 1412 T CB -0.430 68.372 68.868 -0.110 0.000 0.865 1412 T HN 0.243 nan 8.240 nan 0.000 0.435 1413 L N 0.855 122.030 121.223 -0.079 0.000 2.083 1413 L HA -0.083 4.257 4.340 -0.001 0.000 0.209 1413 L C 2.857 179.693 176.870 -0.056 0.000 1.083 1413 L CA 1.123 55.919 54.840 -0.074 0.000 0.752 1413 L CB -0.536 41.478 42.059 -0.075 0.000 0.899 1413 L HN 0.304 nan 8.230 nan 0.000 0.433 1414 S N -0.281 115.391 115.700 -0.046 0.000 2.371 1414 S HA -0.159 4.310 4.470 -0.001 0.000 0.224 1414 S C 2.208 176.780 174.600 -0.047 0.000 1.029 1414 S CA 0.753 58.930 58.200 -0.038 0.000 0.978 1414 S CB -0.100 63.083 63.200 -0.027 0.000 0.833 1414 S HN 0.277 nan 8.310 nan 0.000 0.466 1415 R N 0.337 120.804 120.500 -0.055 0.000 2.081 1415 R HA 0.050 4.389 4.340 -0.001 0.000 0.235 1415 R C 2.018 178.273 176.300 -0.075 0.000 1.131 1415 R CA 1.455 57.517 56.100 -0.065 0.000 0.960 1415 R CB -0.432 29.825 30.300 -0.072 0.000 0.856 1415 R HN 0.456 nan 8.270 nan 0.000 0.436 1416 L N 0.479 121.655 121.223 -0.077 0.000 2.610 1416 L HA -0.036 4.304 4.340 -0.001 0.000 0.232 1416 L C 0.067 176.896 176.870 -0.068 0.000 1.149 1416 L CA 0.236 55.027 54.840 -0.081 0.000 0.872 1416 L CB -0.288 41.724 42.059 -0.078 0.000 0.992 1416 L HN 0.252 nan 8.230 nan 0.000 0.447 1417 D N 1.015 121.381 120.400 -0.057 0.000 2.737 1417 D HA -0.210 4.429 4.640 -0.001 0.000 0.238 1417 D C -0.661 175.616 176.300 -0.038 0.000 1.157 1417 D CA 0.708 54.681 54.000 -0.045 0.000 0.694 1417 D CB -0.855 39.918 40.800 -0.045 0.000 1.021 1417 D HN 0.148 nan 8.370 nan 0.000 0.420 1418 L N 0.302 121.502 121.223 -0.039 0.000 2.354 1418 L HA 0.686 5.025 4.340 -0.001 0.000 0.264 1418 L C -1.794 175.057 176.870 -0.030 0.000 1.008 1418 L CA -1.849 52.971 54.840 -0.033 0.000 0.819 1418 L CB 2.073 44.109 42.059 -0.039 0.000 1.339 1418 L HN -0.050 nan 8.230 nan 0.000 0.420 1419 P HA 0.163 nan 4.420 nan 0.000 0.278 1419 P C 0.923 178.206 177.300 -0.028 0.000 1.266 1419 P CA -0.519 62.573 63.100 -0.013 0.000 0.807 1419 P CB 1.229 32.932 31.700 0.005 0.000 1.094 1420 V N 0.378 120.273 119.914 -0.032 0.000 2.313 1420 V HA -0.309 3.811 4.120 -0.001 0.000 0.253 1420 V C 2.332 178.424 176.094 -0.004 0.000 1.070 1420 V CA 2.525 64.786 62.300 -0.065 0.000 1.057 1420 V CB -1.295 30.508 31.823 -0.034 0.000 0.653 1420 V HN 0.754 nan 8.190 nan 0.000 0.450 1421 D N 0.496 120.946 120.400 0.083 0.000 2.203 1421 D HA -0.222 4.418 4.640 -0.001 0.000 0.199 1421 D C 1.932 178.334 176.300 0.170 0.000 0.997 1421 D CA 1.740 55.851 54.000 0.184 0.000 0.863 1421 D CB 0.106 40.967 40.800 0.102 0.000 0.928 1421 D HN 0.507 nan 8.370 nan 0.000 0.458 1422 A N -0.021 122.824 122.820 0.041 0.000 2.206 1422 A HA -0.001 4.319 4.320 -0.001 0.000 0.211 1422 A C 2.024 179.574 177.584 -0.056 0.000 1.158 1422 A CA 0.091 52.136 52.037 0.013 0.000 0.761 1422 A CB -0.250 18.745 19.000 -0.010 0.000 0.801 1422 A HN 0.245 nan 8.150 nan 0.000 0.473 1423 L N -1.276 119.839 121.223 -0.181 0.000 2.141 1423 L HA -0.038 4.302 4.340 -0.001 0.000 0.209 1423 L C 0.421 177.063 176.870 -0.380 0.000 1.094 1423 L CA 1.168 55.784 54.840 -0.372 0.000 0.763 1423 L CB -1.160 40.517 42.059 -0.636 0.000 0.908 1423 L HN 0.524 nan 8.230 nan 0.000 0.437 1424 Y N 0.141 120.422 120.300 -0.031 0.000 2.623 1424 Y HA 0.350 4.900 4.550 -0.001 0.000 0.341 1424 Y C 0.747 176.688 175.900 0.069 0.000 1.292 1424 Y CA -0.223 57.905 58.100 0.047 0.000 1.840 1424 Y CB -0.417 38.096 38.460 0.089 0.000 1.865 1424 Y HN 0.108 nan 8.280 nan 0.000 0.440 1425 S N -2.276 113.503 115.700 0.132 0.000 2.615 1425 S HA 0.200 4.670 4.470 -0.001 0.000 0.268 1425 S C 0.484 175.159 174.600 0.124 0.000 1.146 1425 S CA -0.782 57.503 58.200 0.143 0.000 0.818 1425 S CB 1.095 64.366 63.200 0.119 0.000 1.111 1425 S HN 0.160 nan 8.310 nan 0.000 0.465 1426 T N 1.282 115.968 114.554 0.220 0.000 2.759 1426 T HA -0.063 4.286 4.350 -0.001 0.000 0.269 1426 T C 1.625 176.478 174.700 0.255 0.000 1.042 1426 T CA 1.617 63.889 62.100 0.285 0.000 1.140 1426 T CB -0.519 68.692 68.868 0.572 0.000 0.864 1426 T HN 0.484 nan 8.240 nan 0.000 0.455 1427 L N 0.398 121.765 121.223 0.241 0.000 2.005 1427 L HA -0.011 4.329 4.340 -0.001 0.000 0.207 1427 L C 2.862 179.734 176.870 0.003 0.000 1.072 1427 L CA 1.711 56.616 54.840 0.109 0.000 0.744 1427 L CB -1.054 41.074 42.059 0.114 0.000 0.895 1427 L HN 0.390 nan 8.230 nan 0.000 0.433 1428 G N -0.562 108.227 108.800 -0.018 0.000 2.440 1428 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.218 1428 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.218 1428 G C 1.702 176.528 174.900 -0.123 0.000 1.154 1428 G CA 0.869 45.905 45.100 -0.106 0.000 0.767 1428 G HN 0.315 nan 8.290 nan 0.000 0.552 1429 R N -0.278 120.169 120.500 -0.089 0.000 2.091 1429 R HA -0.084 4.256 4.340 -0.001 0.000 0.238 1429 R C 2.654 178.915 176.300 -0.066 0.000 1.136 1429 R CA 1.937 57.970 56.100 -0.111 0.000 0.959 1429 R CB -0.478 29.717 30.300 -0.174 0.000 0.856 1429 R HN 0.345 nan 8.270 nan 0.000 0.437 1430 T N 0.357 114.920 114.554 0.014 0.000 2.777 1430 T HA -0.063 4.287 4.350 -0.001 0.000 0.266 1430 T C 1.785 176.449 174.700 -0.060 0.000 1.040 1430 T CA 1.235 63.388 62.100 0.088 0.000 1.141 1430 T CB -0.232 68.729 68.868 0.156 0.000 0.868 1430 T HN 0.442 nan 8.240 nan 0.000 0.444 1431 A N 1.486 124.229 122.820 -0.128 0.000 1.902 1431 A HA 0.192 4.512 4.320 -0.001 0.000 0.217 1431 A C 2.644 180.114 177.584 -0.190 0.000 1.181 1431 A CA 1.739 53.658 52.037 -0.196 0.000 0.623 1431 A CB -1.081 17.811 19.000 -0.181 0.000 0.818 1431 A HN 0.494 nan 8.150 nan 0.000 0.443 1432 A N -0.240 122.484 122.820 -0.160 0.000 1.902 1432 A HA -0.187 4.132 4.320 -0.001 0.000 0.217 1432 A C 2.236 179.745 177.584 -0.125 0.000 1.181 1432 A CA 1.777 53.724 52.037 -0.150 0.000 0.623 1432 A CB -0.524 18.379 19.000 -0.163 0.000 0.818 1432 A HN 0.566 nan 8.150 nan 0.000 0.443 1433 R N -0.388 120.024 120.500 -0.146 0.000 2.091 1433 R HA -0.147 4.193 4.340 -0.001 0.000 0.238 1433 R C 2.271 178.512 176.300 -0.099 0.000 1.136 1433 R CA 1.584 57.558 56.100 -0.209 0.000 0.959 1433 R CB -0.399 29.738 30.300 -0.271 0.000 0.856 1433 R HN 0.453 nan 8.270 nan 0.000 0.437 1434 A N 0.736 123.414 122.820 -0.237 0.000 1.898 1434 A HA -0.108 4.212 4.320 -0.001 0.000 0.216 1434 A C 1.981 179.395 177.584 -0.283 0.000 1.181 1434 A CA 0.882 52.589 52.037 -0.549 0.000 0.620 1434 A CB -0.380 18.021 19.000 -0.997 0.000 0.819 1434 A HN 0.244 nan 8.150 nan 0.000 0.442 1435 L N 0.663 121.767 121.223 -0.197 0.000 2.017 1435 L HA -0.204 4.135 4.340 -0.001 0.000 0.208 1435 L C 2.603 179.464 176.870 -0.014 0.000 1.073 1435 L CA 2.420 57.191 54.840 -0.115 0.000 0.745 1435 L CB -1.358 40.641 42.059 -0.100 0.000 0.894 1435 L HN 0.793 nan 8.230 nan 0.000 0.432 1436 E N -1.446 118.786 120.200 0.054 0.000 2.204 1436 E HA -0.156 4.194 4.350 -0.001 0.000 0.194 1436 E C 1.933 178.668 176.600 0.225 0.000 0.989 1436 E CA 1.319 57.822 56.400 0.172 0.000 0.824 1436 E CB -0.256 29.592 29.700 0.247 0.000 0.756 1436 E HN 0.322 nan 8.360 nan 0.000 0.477 1437 S N 0.906 116.762 115.700 0.259 0.000 2.382 1437 S HA -0.157 4.313 4.470 -0.001 0.000 0.228 1437 S C 1.753 176.439 174.600 0.144 0.000 1.027 1437 S CA 1.530 59.907 58.200 0.296 0.000 0.991 1437 S CB -0.181 63.270 63.200 0.420 0.000 0.823 1437 S HN 0.207 nan 8.310 nan 0.000 0.469 1438 K N 2.080 122.513 120.400 0.054 0.000 2.025 1438 K HA 0.103 4.423 4.320 -0.001 0.000 0.207 1438 K C 1.736 178.340 176.600 0.005 0.000 1.049 1438 K CA 1.248 57.539 56.287 0.006 0.000 0.933 1438 K CB -0.780 31.694 32.500 -0.044 0.000 0.714 1438 K HN 0.342 nan 8.250 nan 0.000 0.438 1439 I N 0.604 121.182 120.570 0.013 0.000 2.151 1439 I HA -0.322 3.848 4.170 -0.001 0.000 0.243 1439 I C 2.220 178.295 176.117 -0.071 0.000 1.080 1439 I CA 1.360 62.651 61.300 -0.015 0.000 1.339 1439 I CB -0.292 37.696 38.000 -0.020 0.000 1.039 1439 I HN 0.125 nan 8.210 nan 0.000 0.409 1440 L N -0.282 120.920 121.223 -0.035 0.000 2.056 1440 L HA -0.185 4.154 4.340 -0.001 0.000 0.207 1440 L C 2.568 179.399 176.870 -0.066 0.000 1.078 1440 L CA 0.906 55.704 54.840 -0.070 0.000 0.749 1440 L CB -0.480 41.572 42.059 -0.011 0.000 0.901 1440 L HN 0.116 nan 8.230 nan 0.000 0.433 1441 V N -0.252 119.662 119.914 0.001 0.000 2.626 1441 V HA -0.264 3.856 4.120 -0.001 0.000 0.252 1441 V C 1.880 177.942 176.094 -0.052 0.000 1.067 1441 V CA 1.939 64.248 62.300 0.014 0.000 1.081 1441 V CB -0.244 31.624 31.823 0.075 0.000 0.686 1441 V HN 0.441 nan 8.190 nan 0.000 0.468 1442 D N 0.566 120.918 120.400 -0.081 0.000 2.144 1442 D HA -0.051 4.589 4.640 -0.001 0.000 0.200 1442 D C 2.139 178.306 176.300 -0.222 0.000 0.978 1442 D CA 1.518 55.451 54.000 -0.112 0.000 0.833 1442 D CB -0.292 40.455 40.800 -0.088 0.000 0.961 1442 D HN 0.529 nan 8.370 nan 0.000 0.470 1443 A N 0.348 122.955 122.820 -0.355 0.000 2.066 1443 A HA -0.091 4.228 4.320 -0.001 0.000 0.218 1443 A C 2.056 179.069 177.584 -0.952 0.000 1.157 1443 A CA 0.738 52.340 52.037 -0.725 0.000 0.670 1443 A CB -0.343 18.092 19.000 -0.942 0.000 0.804 1443 A HN 0.089 nan 8.150 nan 0.000 0.453 1444 M N -1.065 118.250 119.600 -0.475 0.000 2.117 1444 M HA -0.175 4.304 4.480 -0.001 0.000 0.262 1444 M C 2.280 178.565 176.300 -0.024 0.000 1.065 1444 M CA 1.875 57.098 55.300 -0.129 0.000 1.114 1444 M CB -1.045 31.587 32.600 0.052 0.000 1.361 1444 M HN 0.567 nan 8.290 nan 0.000 0.408 1445 Q N 0.207 119.968 119.800 -0.065 0.000 2.170 1445 Q HA -0.070 4.270 4.340 -0.001 0.000 0.203 1445 Q C 1.915 177.949 176.000 0.057 0.000 0.976 1445 Q CA 2.081 57.906 55.803 0.036 0.000 0.858 1445 Q CB -0.702 28.034 28.738 -0.004 0.000 0.907 1445 Q HN 0.536 nan 8.270 nan 0.000 0.433 1446 G N -0.859 107.866 108.800 -0.126 0.000 2.394 1446 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.215 1446 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.215 1446 G C 0.862 175.757 174.900 -0.007 0.000 1.165 1446 G CA 0.609 45.632 45.100 -0.129 0.000 0.784 1446 G HN 0.346 nan 8.290 nan 0.000 0.535 1447 W N 0.001 121.355 121.300 0.090 0.000 2.358 1447 W HA 0.001 4.661 4.660 -0.001 0.000 0.303 1447 W C 2.198 178.787 176.519 0.117 0.000 1.208 1447 W CA 0.501 57.895 57.345 0.081 0.000 1.274 1447 W CB -1.421 28.082 29.460 0.073 0.000 1.138 1447 W HN 0.326 nan 8.180 nan 0.000 0.515 1448 Y N 2.136 122.602 120.300 0.276 0.000 2.128 1448 Y HA -0.284 4.266 4.550 -0.001 0.000 0.284 1448 Y C 2.116 178.105 175.900 0.150 0.000 1.154 1448 Y CA 2.453 60.687 58.100 0.223 0.000 1.149 1448 Y CB -0.592 38.000 38.460 0.219 0.000 0.976 1448 Y HN -0.205 nan 8.280 nan 0.000 0.505 1449 D N -0.434 120.100 120.400 0.224 0.000 2.144 1449 D HA -0.135 4.504 4.640 -0.001 0.000 0.199 1449 D C 2.350 178.658 176.300 0.013 0.000 0.984 1449 D CA 1.459 55.518 54.000 0.098 0.000 0.834 1449 D CB -0.900 39.973 40.800 0.123 0.000 0.955 1449 D HN 0.551 nan 8.370 nan 0.000 0.465 1450 G N 0.921 109.756 108.800 0.057 0.000 2.422 1450 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.218 1450 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.218 1450 G C 1.625 176.529 174.900 0.007 0.000 1.146 1450 G CA 0.606 45.737 45.100 0.051 0.000 0.769 1450 G HN 0.248 nan 8.290 nan 0.000 0.547 1451 L N 0.719 121.928 121.223 -0.024 0.000 1.994 1451 L HA -0.001 4.338 4.340 -0.001 0.000 0.208 1451 L C 2.567 179.365 176.870 -0.120 0.000 1.071 1451 L CA 1.419 56.215 54.840 -0.073 0.000 0.745 1451 L CB -0.373 41.633 42.059 -0.088 0.000 0.892 1451 L HN 0.080 nan 8.230 nan 0.000 0.431 1452 I N 0.364 120.798 120.570 -0.228 0.000 2.208 1452 I HA -0.259 3.911 4.170 -0.001 0.000 0.245 1452 I C 2.718 178.788 176.117 -0.079 0.000 1.097 1452 I CA 1.528 62.717 61.300 -0.186 0.000 1.363 1452 I CB -2.074 35.785 38.000 -0.236 0.000 1.051 1452 I HN 0.400 nan 8.210 nan 0.000 0.413 1453 A N 0.588 123.377 122.820 -0.052 0.000 1.902 1453 A HA -0.241 4.079 4.320 -0.001 0.000 0.217 1453 A C 2.255 179.830 177.584 -0.015 0.000 1.181 1453 A CA 1.901 53.927 52.037 -0.019 0.000 0.623 1453 A CB -0.988 18.011 19.000 -0.002 0.000 0.818 1453 A HN 0.549 nan 8.150 nan 0.000 0.443 1454 N N -0.077 118.613 118.700 -0.018 0.000 2.142 1454 N HA -0.127 4.613 4.740 -0.001 0.000 0.186 1454 N C 1.692 177.194 175.510 -0.013 0.000 1.023 1454 N CA 1.576 54.619 53.050 -0.011 0.000 0.852 1454 N CB -0.046 38.436 38.487 -0.008 0.000 0.998 1454 N HN 0.237 nan 8.380 nan 0.000 0.424 1455 V N 1.631 121.532 119.914 -0.022 0.000 2.307 1455 V HA -0.193 3.926 4.120 -0.001 0.000 0.245 1455 V C 2.493 178.579 176.094 -0.013 0.000 1.045 1455 V CA 1.588 63.877 62.300 -0.018 0.000 1.024 1455 V CB -0.530 31.278 31.823 -0.025 0.000 0.651 1455 V HN 0.359 nan 8.190 nan 0.000 0.449 1456 K N 0.765 121.156 120.400 -0.016 0.000 2.097 1456 K HA -0.183 4.137 4.320 -0.001 0.000 0.206 1456 K C 2.172 178.769 176.600 -0.004 0.000 1.049 1456 K CA 1.755 58.037 56.287 -0.009 0.000 0.933 1456 K CB -0.226 32.269 32.500 -0.008 0.000 0.717 1456 K HN 0.610 nan 8.250 nan 0.000 0.442 1457 S N -1.278 114.419 115.700 -0.004 0.000 2.555 1457 S HA 0.080 4.549 4.470 -0.001 0.000 0.230 1457 S C 1.229 175.828 174.600 -0.001 0.000 0.978 1457 S CA 0.648 58.847 58.200 -0.002 0.000 0.934 1457 S CB 0.211 63.411 63.200 -0.001 0.000 0.766 1457 S HN 0.564 nan 8.310 nan 0.000 0.533 1458 G N 0.684 109.483 108.800 -0.003 0.000 2.192 1458 G HA2 -0.174 3.786 3.960 -0.001 0.000 0.193 1458 G HA3 -0.174 3.786 3.960 -0.001 0.000 0.193 1458 G C -0.374 174.525 174.900 -0.001 0.000 0.999 1458 G CA -0.081 45.018 45.100 -0.001 0.000 0.659 1458 G HN 0.619 nan 8.290 nan 0.000 0.503 1459 D N 1.750 122.149 120.400 -0.002 0.000 2.411 1459 D HA 0.514 5.154 4.640 -0.001 0.000 0.225 1459 D C 1.421 177.720 176.300 -0.002 0.000 1.156 1459 D CA 0.488 54.487 54.000 -0.001 0.000 0.874 1459 D CB 0.561 41.360 40.800 -0.002 0.000 1.034 1459 D HN 0.248 nan 8.370 nan 0.000 0.502 1460 T N 0.586 115.141 114.554 0.001 0.000 3.215 1460 T HA 0.192 4.542 4.350 -0.001 0.000 0.271 1460 T C 0.684 175.389 174.700 0.008 0.000 1.012 1460 T CA -0.705 61.397 62.100 0.003 0.000 0.899 1460 T CB -0.104 68.765 68.868 0.002 0.000 1.089 1460 T HN 0.204 nan 8.240 nan 0.000 0.552 1461 K N 1.950 122.355 120.400 0.009 0.000 2.298 1461 K HA 0.301 4.620 4.320 -0.001 0.000 0.280 1461 K C 0.728 177.341 176.600 0.022 0.000 1.032 1461 K CA 0.176 56.474 56.287 0.017 0.000 0.958 1461 K CB 0.566 33.072 32.500 0.009 0.000 0.978 1461 K HN 0.300 nan 8.250 nan 0.000 0.472 1462 T N 0.645 115.228 114.554 0.049 0.000 3.087 1462 T HA 0.205 4.555 4.350 -0.001 0.000 0.283 1462 T C -0.340 174.443 174.700 0.138 0.000 0.956 1462 T CA -0.432 61.704 62.100 0.059 0.000 0.894 1462 T CB -0.150 68.744 68.868 0.043 0.000 1.160 1462 T HN 0.438 nan 8.240 nan 0.000 0.532 1463 F N 1.887 121.806 119.950 -0.051 0.000 2.588 1463 F HA 0.490 5.016 4.527 -0.001 0.000 0.318 1463 F C -1.264 174.517 175.800 -0.032 0.000 1.155 1463 F CA -1.043 56.922 58.000 -0.059 0.000 0.967 1463 F CB 1.532 40.466 39.000 -0.111 0.000 1.236 1463 F HN 0.052 nan 8.300 nan 0.000 0.455 1464 N N 5.102 123.392 118.700 -0.683 0.000 2.437 1464 N HA 0.129 4.868 4.740 -0.001 0.000 0.243 1464 N C 0.457 175.420 175.510 -0.913 0.000 1.041 1464 N CA -0.168 52.557 53.050 -0.542 0.000 0.940 1464 N CB 0.820 39.132 38.487 -0.292 0.000 1.133 1464 N HN 0.894 nan 8.380 nan 0.000 0.506 1465 E N 1.698 121.552 120.200 -0.576 0.000 2.489 1465 E HA -0.063 4.286 4.350 -0.001 0.000 0.193 1465 E C 0.925 177.545 176.600 0.034 0.000 1.057 1465 E CA 0.375 56.611 56.400 -0.274 0.000 0.866 1465 E CB 0.051 29.828 29.700 0.129 0.000 0.916 1465 E HN 0.668 nan 8.360 nan 0.000 0.500 1466 T N -0.326 114.216 114.554 -0.019 0.000 2.867 1466 T HA -0.041 4.308 4.350 -0.001 0.000 0.268 1466 T C 1.522 176.308 174.700 0.142 0.000 1.057 1466 T CA 0.579 62.717 62.100 0.064 0.000 1.136 1466 T CB -0.192 68.693 68.868 0.028 0.000 0.874 1466 T HN 0.206 nan 8.240 nan 0.000 0.466 1467 L N 0.172 121.507 121.223 0.187 0.000 3.062 1467 L HA 0.369 4.709 4.340 -0.001 0.000 0.255 1467 L C 1.606 178.781 176.870 0.507 0.000 1.274 1467 L CA -0.604 54.426 54.840 0.318 0.000 1.047 1467 L CB -0.177 42.044 42.059 0.270 0.000 1.402 1467 L HN 0.407 nan 8.230 nan 0.000 0.550 1468 W N 1.523 122.970 121.300 0.245 0.000 2.381 1468 W HA -0.034 4.625 4.660 -0.000 0.000 0.301 1468 W C 0.568 177.232 176.519 0.241 0.000 1.205 1468 W CA 0.599 58.136 57.345 0.320 0.000 1.285 1468 W CB 0.505 30.169 29.460 0.340 0.000 1.133 1468 W HN 0.105 nan 8.180 nan 0.000 0.521 1469 E N 0.921 121.140 120.200 0.031 0.000 2.290 1469 E HA 0.056 4.406 4.350 -0.001 0.000 0.277 1469 E C -1.596 174.569 176.600 -0.725 0.000 1.035 1469 E CA -1.785 54.445 56.400 -0.284 0.000 0.873 1469 E CB 0.711 30.340 29.700 -0.117 0.000 1.029 1469 E HN 0.028 nan 8.360 nan 0.000 0.419 1470 P HA -0.210 nan 4.420 nan 0.000 0.217 1470 P C 1.283 177.971 177.300 -1.021 0.000 1.148 1470 P CA 1.594 63.587 63.100 -1.846 0.000 0.834 1470 P CB 0.202 31.248 31.700 -1.090 0.000 0.783 1471 S N -1.295 114.079 115.700 -0.543 0.000 2.474 1471 S HA -0.086 4.383 4.470 -0.001 0.000 0.235 1471 S C 1.823 176.312 174.600 -0.185 0.000 0.997 1471 S CA 1.119 59.153 58.200 -0.277 0.000 0.949 1471 S CB -1.325 61.774 63.200 -0.168 0.000 0.766 1471 S HN 0.259 nan 8.310 nan 0.000 0.517 1472 S N -0.622 114.950 115.700 -0.213 0.000 2.562 1472 S HA 0.160 4.630 4.470 -0.001 0.000 0.221 1472 S C 0.130 174.841 174.600 0.185 0.000 0.975 1472 S CA -0.738 57.467 58.200 0.009 0.000 0.918 1472 S CB -0.479 62.775 63.200 0.089 0.000 0.772 1472 S HN 0.577 nan 8.310 nan 0.000 0.531 1473 W N 3.161 124.460 121.300 -0.002 0.000 2.283 1473 W HA 0.562 5.222 4.660 -0.001 0.000 0.341 1473 W C -2.492 174.025 176.519 -0.004 0.000 1.206 1473 W CA -3.267 54.076 57.345 -0.003 0.000 1.294 1473 W CB -1.081 28.373 29.460 -0.009 0.000 1.154 1473 W HN 0.024 nan 8.180 nan 0.000 0.613 1474 P HA 0.025 nan 4.420 nan 0.000 0.270 1474 P C 0.935 178.320 177.300 0.140 0.000 1.223 1474 P CA 0.041 63.219 63.100 0.130 0.000 0.785 1474 P CB 0.476 32.220 31.700 0.073 0.000 0.923 1475 S N 0.457 116.209 115.700 0.088 0.000 2.481 1475 S HA -0.006 4.464 4.470 -0.001 0.000 0.231 1475 S C 0.599 175.241 174.600 0.069 0.000 0.996 1475 S CA 0.304 58.551 58.200 0.079 0.000 0.942 1475 S CB -0.220 63.006 63.200 0.044 0.000 0.768 1475 S HN 0.309 nan 8.310 nan 0.000 0.520 1476 R N 0.977 121.507 120.500 0.049 0.000 2.574 1476 R HA 0.872 5.212 4.340 -0.001 0.000 0.288 1476 R C -0.892 175.408 176.300 0.001 0.000 1.004 1476 R CA -0.553 55.561 56.100 0.023 0.000 0.895 1476 R CB 1.053 31.352 30.300 -0.001 0.000 1.191 1476 R HN 0.262 nan 8.270 nan 0.000 0.444 1477 A N 2.047 124.856 122.820 -0.019 0.000 2.587 1477 A HA 0.719 5.039 4.320 -0.001 0.000 0.293 1477 A C -1.362 176.178 177.584 -0.074 0.000 1.087 1477 A CA -0.781 51.222 52.037 -0.055 0.000 0.692 1477 A CB 2.015 20.969 19.000 -0.076 0.000 1.291 1477 A HN 0.697 nan 8.150 nan 0.000 0.407 1478 Q N 0.441 120.185 119.800 -0.094 0.000 2.416 1478 Q HA 0.790 5.130 4.340 -0.001 0.000 0.281 1478 Q C -0.351 175.658 176.000 0.015 0.000 1.067 1478 Q CA -0.826 54.933 55.803 -0.073 0.000 0.809 1478 Q CB 2.372 30.927 28.738 -0.305 0.000 1.418 1478 Q HN 1.625 nan 8.270 nan 0.000 0.411 1479 G N -0.053 108.839 108.800 0.152 0.000 2.646 1479 G HA2 0.494 4.453 3.960 -0.001 0.000 0.291 1479 G HA3 0.494 4.453 3.960 -0.001 0.000 0.291 1479 G C -1.963 172.953 174.900 0.027 0.000 1.445 1479 G CA -0.519 44.641 45.100 0.099 0.000 0.814 1479 G HN 0.569 nan 8.290 nan 0.000 0.495 1480 V N 0.357 120.172 119.914 -0.166 0.000 2.487 1480 V HA 0.847 4.966 4.120 -0.001 0.000 0.298 1480 V C 0.436 176.287 176.094 -0.406 0.000 1.028 1480 V CA 0.111 62.092 62.300 -0.532 0.000 0.860 1480 V CB 1.417 32.630 31.823 -1.015 0.000 0.991 1480 V HN 1.352 nan 8.190 nan 0.000 0.427 1481 G N 6.799 115.367 108.800 -0.387 0.000 2.329 1481 G HA2 0.579 4.539 3.960 -0.001 0.000 0.309 1481 G HA3 0.579 4.539 3.960 -0.001 0.000 0.309 1481 G C -0.701 174.011 174.900 -0.314 0.000 1.110 1481 G CA -0.384 44.554 45.100 -0.270 0.000 0.923 1481 G HN 1.107 nan 8.290 nan 0.000 0.430 1482 I N 0.563 121.000 120.570 -0.221 0.000 2.648 1482 I HA 0.945 5.114 4.170 -0.001 0.000 0.304 1482 I C -0.295 175.787 176.117 -0.058 0.000 1.009 1482 I CA -1.713 59.517 61.300 -0.118 0.000 1.114 1482 I CB 2.218 40.164 38.000 -0.088 0.000 1.293 1482 I HN 0.569 nan 8.210 nan 0.000 0.449 1483 M N 2.993 122.611 119.600 0.030 0.000 2.562 1483 M HA 0.492 4.972 4.480 -0.001 0.000 0.281 1483 M C -1.987 174.315 176.300 0.005 0.000 1.195 1483 M CA -0.338 54.942 55.300 -0.033 0.000 0.888 1483 M CB 2.219 34.759 32.600 -0.101 0.000 1.731 1483 M HN 0.606 nan 8.290 nan 0.000 0.493 1484 E N 2.607 122.807 120.200 0.001 0.000 2.035 1484 E HA 0.582 4.931 4.350 -0.001 0.000 0.271 1484 E C -0.784 175.857 176.600 0.070 0.000 0.953 1484 E CA -0.082 56.318 56.400 -0.000 0.000 0.777 1484 E CB 1.540 31.233 29.700 -0.012 0.000 1.104 1484 E HN 0.739 nan 8.360 nan 0.000 0.408 1485 A N 4.465 127.252 122.820 -0.054 0.000 2.246 1485 A HA 0.457 4.777 4.320 -0.001 0.000 0.291 1485 A C -1.556 175.829 177.584 -0.332 0.000 1.103 1485 A CA -1.192 50.757 52.037 -0.148 0.000 0.844 1485 A CB 0.176 19.090 19.000 -0.144 0.000 1.136 1485 A HN 0.239 nan 8.150 nan 0.000 0.500 1486 P HA -0.073 nan 4.420 nan 0.000 0.220 1486 P C 0.956 178.190 177.300 -0.111 0.000 1.148 1486 P CA 1.269 63.971 63.100 -0.664 0.000 0.803 1486 P CB 0.115 31.497 31.700 -0.530 0.000 0.782 1487 R N -1.795 118.664 120.500 -0.068 0.000 2.312 1487 R HA 0.408 4.747 4.340 -0.001 0.000 0.205 1487 R C 1.083 177.395 176.300 0.019 0.000 0.904 1487 R CA 0.455 56.569 56.100 0.023 0.000 1.052 1487 R CB 0.288 30.637 30.300 0.083 0.000 1.014 1487 R HN 0.189 nan 8.270 nan 0.000 0.503 1488 G N -0.003 108.768 108.800 -0.048 0.000 2.302 1488 G HA2 0.169 4.129 3.960 -0.001 0.000 0.276 1488 G HA3 0.169 4.129 3.960 -0.001 0.000 0.276 1488 G C -1.517 173.286 174.900 -0.162 0.000 1.316 1488 G CA -0.626 44.414 45.100 -0.100 0.000 0.988 1488 G HN 0.157 nan 8.290 nan 0.000 0.479 1489 A N -0.427 122.195 122.820 -0.331 0.000 2.491 1489 A HA 0.577 4.897 4.320 -0.001 0.000 0.261 1489 A C -0.092 177.323 177.584 -0.281 0.000 1.101 1489 A CA 0.590 52.270 52.037 -0.595 0.000 0.772 1489 A CB 0.464 18.647 19.000 -1.363 0.000 1.043 1489 A HN 2.050 nan 8.150 nan 0.000 0.501 1490 L N 3.193 124.409 121.223 -0.013 0.000 2.341 1490 L HA 0.852 5.191 4.340 -0.001 0.000 0.278 1490 L C 0.137 177.249 176.870 0.404 0.000 1.005 1490 L CA 0.095 55.074 54.840 0.230 0.000 0.818 1490 L CB 1.907 43.991 42.059 0.042 0.000 1.259 1490 L HN 0.709 nan 8.230 nan 0.000 0.418 1491 G N 2.642 111.730 108.800 0.481 0.000 2.638 1491 G HA2 0.480 4.440 3.960 -0.001 0.000 0.302 1491 G HA3 0.480 4.440 3.960 -0.001 0.000 0.302 1491 G C -1.667 173.388 174.900 0.258 0.000 1.365 1491 G CA -0.433 44.686 45.100 0.031 0.000 0.987 1491 G HN 0.737 nan 8.290 nan 0.000 0.495 1492 H N 0.640 119.562 119.070 -0.246 0.000 2.505 1492 H HA 0.289 4.845 4.556 -0.001 0.000 0.338 1492 H C -0.976 174.146 175.328 -0.343 0.000 1.057 1492 H CA -0.705 55.284 56.048 -0.097 0.000 1.202 1492 H CB 2.127 31.854 29.762 -0.059 0.000 1.466 1492 H HN 0.408 nan 8.280 nan 0.000 0.499 1493 W N 5.231 126.355 121.300 -0.294 0.000 2.417 1493 W HA 0.383 5.043 4.660 -0.000 0.000 0.315 1493 W C -0.533 175.784 176.519 -0.337 0.000 1.045 1493 W CA -0.565 56.577 57.345 -0.340 0.000 1.221 1493 W CB 1.730 30.896 29.460 -0.490 0.000 1.309 1493 W HN 0.355 nan 8.180 nan 0.000 0.453 1494 I N 3.779 124.330 120.570 -0.031 0.000 2.474 1494 I HA 0.490 4.660 4.170 -0.001 0.000 0.294 1494 I C -1.081 175.106 176.117 0.118 0.000 1.005 1494 I CA -0.731 60.508 61.300 -0.102 0.000 1.113 1494 I CB 1.790 39.666 38.000 -0.207 0.000 1.289 1494 I HN -0.058 nan 8.210 nan 0.000 0.436 1495 V N 8.236 128.209 119.914 0.099 0.000 2.409 1495 V HA 0.458 4.578 4.120 -0.001 0.000 0.291 1495 V C -0.101 176.020 176.094 0.044 0.000 1.020 1495 V CA -0.445 61.890 62.300 0.058 0.000 0.848 1495 V CB 1.451 33.308 31.823 0.056 0.000 0.990 1495 V HN 0.489 nan 8.190 nan 0.000 0.430 1496 I N 4.357 124.938 120.570 0.018 0.000 2.378 1496 I HA 0.520 4.690 4.170 -0.001 0.000 0.291 1496 I C -0.116 176.032 176.117 0.052 0.000 0.992 1496 I CA -0.333 60.991 61.300 0.040 0.000 1.154 1496 I CB 1.771 39.767 38.000 -0.006 0.000 1.315 1496 I HN 0.611 nan 8.210 nan 0.000 0.448 1497 E N 5.417 125.659 120.200 0.071 0.000 2.224 1497 E HA 0.212 4.562 4.350 -0.001 0.000 0.265 1497 E C -1.269 175.379 176.600 0.079 0.000 0.878 1497 E CA -0.722 55.715 56.400 0.061 0.000 0.759 1497 E CB 1.464 31.185 29.700 0.035 0.000 1.164 1497 E HN 0.506 nan 8.360 nan 0.000 0.414 1498 D N 2.577 123.027 120.400 0.083 0.000 2.697 1498 D HA -0.226 4.414 4.640 -0.001 0.000 0.235 1498 D C 0.855 177.205 176.300 0.083 0.000 1.167 1498 D CA 1.584 55.625 54.000 0.068 0.000 0.656 1498 D CB -1.094 39.724 40.800 0.031 0.000 1.025 1498 D HN 1.042 nan 8.370 nan 0.000 0.419 1499 G N -0.516 108.396 108.800 0.187 0.000 2.179 1499 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.260 1499 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.260 1499 G C 0.336 175.377 174.900 0.234 0.000 0.977 1499 G CA 0.585 45.803 45.100 0.198 0.000 0.641 1499 G HN 0.530 nan 8.290 nan 0.000 0.533 1500 R N -0.621 119.980 120.500 0.168 0.000 2.837 1500 R HA 0.602 4.942 4.340 -0.001 0.000 0.271 1500 R C -0.097 176.261 176.300 0.097 0.000 0.993 1500 R CA -1.150 55.015 56.100 0.107 0.000 0.931 1500 R CB 1.294 31.623 30.300 0.048 0.000 1.206 1500 R HN 0.181 nan 8.270 nan 0.000 0.474 1501 I N 1.924 122.535 120.570 0.068 0.000 2.436 1501 I HA 0.003 4.172 4.170 -0.001 0.000 0.289 1501 I C 1.275 177.428 176.117 0.060 0.000 1.083 1501 I CA 0.266 61.613 61.300 0.079 0.000 1.372 1501 I CB 1.252 39.296 38.000 0.073 0.000 1.408 1501 I HN 0.767 nan 8.210 nan 0.000 0.516 1502 A N 5.399 128.260 122.820 0.067 0.000 1.956 1502 A HA 0.129 4.448 4.320 -0.001 0.000 0.212 1502 A C 0.802 178.422 177.584 0.060 0.000 1.188 1502 A CA 0.770 52.836 52.037 0.049 0.000 0.675 1502 A CB 0.073 19.096 19.000 0.039 0.000 0.845 1502 A HN 0.678 nan 8.150 nan 0.000 0.455 1503 N N -2.421 116.334 118.700 0.091 0.000 2.331 1503 N HA 0.472 5.211 4.740 -0.001 0.000 0.280 1503 N C -2.174 173.443 175.510 0.178 0.000 1.155 1503 N CA -0.399 52.717 53.050 0.110 0.000 0.822 1503 N CB 1.480 40.017 38.487 0.084 0.000 1.619 1503 N HN 0.157 nan 8.380 nan 0.000 0.476 1504 Y N 1.314 121.637 120.300 0.039 0.000 2.330 1504 Y HA 0.376 4.926 4.550 -0.001 0.000 0.324 1504 Y C -1.407 174.504 175.900 0.020 0.000 1.093 1504 Y CA -0.517 57.608 58.100 0.041 0.000 1.103 1504 Y CB 1.253 39.708 38.460 -0.009 0.000 1.183 1504 Y HN 0.306 nan 8.280 nan 0.000 0.433 1505 Q N 4.263 124.139 119.800 0.126 0.000 2.304 1505 Q HA 0.702 5.041 4.340 -0.001 0.000 0.270 1505 Q C -1.257 174.825 176.000 0.138 0.000 1.035 1505 Q CA -0.737 55.133 55.803 0.112 0.000 0.781 1505 Q CB 2.337 31.053 28.738 -0.035 0.000 1.261 1505 Q HN 0.768 nan 8.270 nan 0.000 0.444 1506 A N 2.155 125.006 122.820 0.051 0.000 2.305 1506 A HA 0.728 5.047 4.320 -0.001 0.000 0.322 1506 A C -0.526 177.121 177.584 0.104 0.000 1.187 1506 A CA -0.527 51.502 52.037 -0.012 0.000 0.825 1506 A CB 1.003 19.721 19.000 -0.469 0.000 1.164 1506 A HN 0.401 nan 8.150 nan 0.000 0.498 1507 V N 3.610 123.727 119.914 0.338 0.000 2.407 1507 V HA 0.446 4.566 4.120 -0.001 0.000 0.291 1507 V C -0.305 176.035 176.094 0.410 0.000 1.018 1507 V CA -0.430 62.031 62.300 0.268 0.000 0.842 1507 V CB 1.182 33.109 31.823 0.173 0.000 0.996 1507 V HN 0.680 nan 8.190 nan 0.000 0.426 1508 V N 7.006 127.123 119.914 0.338 0.000 2.769 1508 V HA 0.420 4.540 4.120 -0.001 0.000 0.312 1508 V C -1.415 174.924 176.094 0.409 0.000 1.058 1508 V CA -1.674 60.858 62.300 0.386 0.000 0.952 1508 V CB 2.286 34.347 31.823 0.397 0.000 1.019 1508 V HN 0.578 nan 8.190 nan 0.000 0.445 1509 P HA -0.111 nan 4.420 nan 0.000 0.216 1509 P C 1.503 178.992 177.300 0.316 0.000 1.150 1509 P CA 1.355 64.652 63.100 0.329 0.000 0.843 1509 P CB 0.281 32.072 31.700 0.151 0.000 0.787 1510 S N -1.028 114.823 115.700 0.251 0.000 2.453 1510 S HA -0.063 4.407 4.470 -0.001 0.000 0.231 1510 S C 1.815 176.467 174.600 0.086 0.000 1.005 1510 S CA 1.389 59.699 58.200 0.184 0.000 0.949 1510 S CB -1.078 62.246 63.200 0.207 0.000 0.774 1510 S HN 0.298 nan 8.310 nan 0.000 0.510 1511 T N 0.966 115.602 114.554 0.137 0.000 2.665 1511 T HA -0.185 4.164 4.350 -0.001 0.000 0.268 1511 T C 1.327 175.995 174.700 -0.054 0.000 1.035 1511 T CA 1.455 63.565 62.100 0.017 0.000 1.151 1511 T CB -0.472 68.401 68.868 0.007 0.000 0.862 1511 T HN 0.550 nan 8.240 nan 0.000 0.438 1512 W N 1.979 123.283 121.300 0.006 0.000 2.333 1512 W HA -0.069 4.590 4.660 -0.000 0.000 0.316 1512 W C 2.552 179.000 176.519 -0.118 0.000 1.215 1512 W CA 0.717 58.051 57.345 -0.018 0.000 1.278 1512 W CB -0.542 28.930 29.460 0.019 0.000 1.154 1512 W HN 0.177 nan 8.180 nan 0.000 0.486 1513 N N -0.358 118.401 118.700 0.098 0.000 2.216 1513 N HA -0.052 4.688 4.740 -0.001 0.000 0.183 1513 N C 1.561 176.598 175.510 -0.787 0.000 1.017 1513 N CA 1.744 54.701 53.050 -0.155 0.000 0.861 1513 N CB -0.860 37.675 38.487 0.079 0.000 0.986 1513 N HN 0.118 nan 8.380 nan 0.000 0.428 1514 A N 0.371 122.619 122.820 -0.953 0.000 2.267 1514 A HA 0.366 4.686 4.320 -0.001 0.000 0.213 1514 A C 1.267 178.531 177.584 -0.532 0.000 1.192 1514 A CA 0.109 51.345 52.037 -1.335 0.000 0.851 1514 A CB -0.471 17.967 19.000 -0.937 0.000 0.881 1514 A HN 0.221 nan 8.150 nan 0.000 0.494 1515 G N 1.079 109.679 108.800 -0.333 0.000 2.630 1515 G HA2 0.382 4.341 3.960 -0.001 0.000 0.236 1515 G HA3 0.382 4.341 3.960 -0.001 0.000 0.236 1515 G C -1.980 172.802 174.900 -0.196 0.000 1.248 1515 G CA -0.475 44.496 45.100 -0.216 0.000 0.844 1515 G HN 0.274 nan 8.290 nan 0.000 0.588 1516 P HA 0.283 nan 4.420 nan 0.000 0.328 1516 P C -0.056 177.161 177.300 -0.138 0.000 1.305 1516 P CA -0.824 62.138 63.100 -0.230 0.000 0.745 1516 P CB 1.174 32.450 31.700 -0.707 0.000 1.462 1517 R N -0.095 120.359 120.500 -0.077 0.000 2.774 1517 R HA 0.185 4.525 4.340 -0.001 0.000 0.269 1517 R C 0.594 176.920 176.300 0.045 0.000 1.068 1517 R CA 0.195 56.272 56.100 -0.040 0.000 1.180 1517 R CB -0.177 30.060 30.300 -0.106 0.000 1.077 1517 R HN 0.581 nan 8.270 nan 0.000 0.513 1518 D N -0.804 119.596 120.400 -0.000 0.000 2.627 1518 D HA 0.168 4.807 4.640 -0.001 0.000 0.259 1518 D C 0.953 177.236 176.300 -0.028 0.000 1.164 1518 D CA -0.636 53.310 54.000 -0.089 0.000 1.087 1518 D CB -0.158 40.421 40.800 -0.368 0.000 1.217 1518 D HN 0.417 nan 8.370 nan 0.000 0.630 1519 G N -1.354 107.347 108.800 -0.164 0.000 2.650 1519 G HA2 -0.136 3.824 3.960 -0.001 0.000 0.214 1519 G HA3 -0.136 3.824 3.960 -0.001 0.000 0.214 1519 G C 1.110 175.974 174.900 -0.060 0.000 1.136 1519 G CA -0.085 44.962 45.100 -0.088 0.000 0.789 1519 G HN 0.320 nan 8.290 nan 0.000 0.536 1520 R N -0.058 120.382 120.500 -0.101 0.000 2.320 1520 R HA 0.186 4.526 4.340 -0.001 0.000 0.211 1520 R C 1.754 178.036 176.300 -0.030 0.000 0.931 1520 R CA 0.389 56.450 56.100 -0.065 0.000 1.071 1520 R CB 0.139 30.383 30.300 -0.093 0.000 1.025 1520 R HN 0.295 nan 8.270 nan 0.000 0.495 1521 G N 1.852 110.655 108.800 0.006 0.000 2.166 1521 G HA2 -0.378 3.581 3.960 -0.001 0.000 0.260 1521 G HA3 -0.378 3.581 3.960 -0.001 0.000 0.260 1521 G C 0.072 174.946 174.900 -0.043 0.000 0.986 1521 G CA 0.472 45.571 45.100 -0.001 0.000 0.683 1521 G HN 0.495 nan 8.290 nan 0.000 0.527 1522 Q N 0.511 120.276 119.800 -0.057 0.000 2.281 1522 Q HA 0.593 4.933 4.340 -0.001 0.000 0.267 1522 Q C 0.814 176.776 176.000 -0.065 0.000 1.053 1522 Q CA 0.127 55.892 55.803 -0.063 0.000 0.905 1522 Q CB 0.411 29.106 28.738 -0.071 0.000 1.195 1522 Q HN 0.889 nan 8.270 nan 0.000 0.398 1523 A N 3.672 126.450 122.820 -0.070 0.000 2.425 1523 A HA 0.500 4.820 4.320 -0.001 0.000 0.242 1523 A C 0.563 178.112 177.584 -0.058 0.000 1.077 1523 A CA 0.240 52.230 52.037 -0.079 0.000 0.781 1523 A CB 0.375 19.310 19.000 -0.107 0.000 1.020 1523 A HN 0.917 nan 8.150 nan 0.000 0.494 1524 G N -0.921 107.839 108.800 -0.068 0.000 2.616 1524 G HA2 0.472 4.432 3.960 -0.001 0.000 0.268 1524 G HA3 0.472 4.432 3.960 -0.001 0.000 0.268 1524 G C 1.164 176.026 174.900 -0.064 0.000 1.213 1524 G CA 0.196 45.253 45.100 -0.072 0.000 0.926 1524 G HN 1.386 nan 8.290 nan 0.000 0.523 1525 A N -0.434 122.348 122.820 -0.062 0.000 1.883 1525 A HA -0.102 4.218 4.320 -0.001 0.000 0.217 1525 A C 2.150 179.704 177.584 -0.050 0.000 1.186 1525 A CA 1.843 53.876 52.037 -0.007 0.000 0.624 1525 A CB -0.804 18.234 19.000 0.064 0.000 0.822 1525 A HN 0.643 nan 8.150 nan 0.000 0.444 1526 Y N 0.344 120.344 120.300 -0.500 0.000 2.128 1526 Y HA -0.195 4.355 4.550 -0.001 0.000 0.284 1526 Y C 2.443 178.222 175.900 -0.201 0.000 1.154 1526 Y CA 1.273 59.093 58.100 -0.467 0.000 1.149 1526 Y CB -1.137 37.105 38.460 -0.365 0.000 0.976 1526 Y HN 0.521 nan 8.280 nan 0.000 0.505 1527 E N -0.384 119.815 120.200 -0.001 0.000 2.072 1527 E HA -0.130 4.219 4.350 -0.001 0.000 0.191 1527 E C 2.418 178.971 176.600 -0.079 0.000 0.985 1527 E CA 1.034 57.387 56.400 -0.078 0.000 0.801 1527 E CB -0.289 29.326 29.700 -0.141 0.000 0.750 1527 E HN 0.381 nan 8.360 nan 0.000 0.452 1528 A N 1.343 124.143 122.820 -0.033 0.000 1.969 1528 A HA -0.032 4.288 4.320 -0.001 0.000 0.218 1528 A C 2.332 179.945 177.584 0.047 0.000 1.169 1528 A CA 1.447 53.481 52.037 -0.005 0.000 0.635 1528 A CB -0.488 18.521 19.000 0.014 0.000 0.810 1528 A HN 0.280 nan 8.150 nan 0.000 0.445 1529 A N -0.056 122.829 122.820 0.108 0.000 1.873 1529 A HA 0.006 4.326 4.320 -0.001 0.000 0.215 1529 A C 2.104 179.681 177.584 -0.011 0.000 1.186 1529 A CA 1.363 53.514 52.037 0.190 0.000 0.616 1529 A CB -0.589 18.669 19.000 0.431 0.000 0.823 1529 A HN 0.449 nan 8.150 nan 0.000 0.442 1530 L N -0.871 120.238 121.223 -0.190 0.000 2.131 1530 L HA -0.217 4.123 4.340 -0.001 0.000 0.210 1530 L C 2.585 179.304 176.870 -0.253 0.000 1.092 1530 L CA 1.306 55.848 54.840 -0.497 0.000 0.759 1530 L CB -0.489 41.387 42.059 -0.305 0.000 0.903 1530 L HN 0.502 nan 8.230 nan 0.000 0.435 1531 Q N -0.792 118.948 119.800 -0.101 0.000 2.451 1531 Q HA -0.089 4.250 4.340 -0.001 0.000 0.206 1531 Q C 0.170 176.192 176.000 0.037 0.000 0.947 1531 Q CA 0.235 56.014 55.803 -0.041 0.000 0.937 1531 Q CB 0.080 28.777 28.738 -0.070 0.000 1.025 1531 Q HN 0.234 nan 8.270 nan 0.000 0.511 1532 D N 1.023 121.485 120.400 0.104 0.000 2.468 1532 D HA 0.019 4.658 4.640 -0.001 0.000 0.218 1532 D C -0.469 175.962 176.300 0.217 0.000 1.155 1532 D CA -0.095 53.991 54.000 0.142 0.000 0.924 1532 D CB -0.528 40.358 40.800 0.144 0.000 1.029 1532 D HN 0.178 nan 8.370 nan 0.000 0.515 1533 N N 3.305 122.067 118.700 0.103 0.000 2.738 1533 N HA -0.207 4.532 4.740 -0.001 0.000 0.249 1533 N C -1.050 174.386 175.510 -0.123 0.000 1.047 1533 N CA 0.193 53.236 53.050 -0.013 0.000 0.707 1533 N CB -0.895 37.545 38.487 -0.078 0.000 0.937 1533 N HN 0.594 nan 8.380 nan 0.000 0.545 1534 H N 0.920 119.948 119.070 -0.071 0.000 2.476 1534 H HA 0.269 4.824 4.556 -0.001 0.000 0.328 1534 H C -0.308 174.993 175.328 -0.045 0.000 1.073 1534 H CA -0.313 55.693 56.048 -0.070 0.000 1.229 1534 H CB 1.502 31.253 29.762 -0.018 0.000 1.432 1534 H HN 0.288 nan 8.280 nan 0.000 0.477 1535 Q N 1.872 121.677 119.800 0.008 0.000 2.306 1535 Q HA 0.384 4.723 4.340 -0.001 0.000 0.265 1535 Q C -1.010 175.026 176.000 0.059 0.000 1.022 1535 Q CA -0.843 54.975 55.803 0.026 0.000 0.853 1535 Q CB 2.116 30.850 28.738 -0.007 0.000 1.327 1535 Q HN 0.360 nan 8.270 nan 0.000 0.449 1536 L N 1.713 122.968 121.223 0.053 0.000 2.307 1536 L HA 0.328 4.667 4.340 -0.001 0.000 0.284 1536 L C 0.580 177.480 176.870 0.050 0.000 1.023 1536 L CA -0.031 54.843 54.840 0.056 0.000 0.810 1536 L CB 1.753 43.831 42.059 0.032 0.000 1.231 1536 L HN 0.646 nan 8.230 nan 0.000 0.423 1537 V N 1.016 120.980 119.914 0.083 0.000 2.591 1537 V HA -0.008 4.112 4.120 -0.001 0.000 0.249 1537 V C 0.069 176.165 176.094 0.004 0.000 1.053 1537 V CA 1.324 63.648 62.300 0.041 0.000 1.068 1537 V CB -0.199 31.641 31.823 0.028 0.000 0.689 1537 V HN 0.882 nan 8.190 nan 0.000 0.462 1538 D N -1.547 118.867 120.400 0.023 0.000 2.738 1538 D HA 0.137 4.777 4.640 -0.001 0.000 0.218 1538 D C 0.404 176.681 176.300 -0.038 0.000 1.345 1538 D CA 0.106 54.095 54.000 -0.018 0.000 0.943 1538 D CB 1.865 42.637 40.800 -0.047 0.000 1.514 1538 D HN -0.023 nan 8.370 nan 0.000 0.585 1539 V N 2.086 121.979 119.914 -0.036 0.000 3.217 1539 V HA 0.092 4.211 4.120 -0.001 0.000 0.264 1539 V C 1.309 177.363 176.094 -0.067 0.000 1.135 1539 V CA 0.844 63.118 62.300 -0.043 0.000 1.142 1539 V CB -0.525 31.287 31.823 -0.018 0.000 0.754 1539 V HN 0.431 nan 8.190 nan 0.000 0.484 1540 K N 0.497 120.853 120.400 -0.074 0.000 2.404 1540 K HA 0.251 4.570 4.320 -0.001 0.000 0.194 1540 K C 0.286 176.779 176.600 -0.178 0.000 1.023 1540 K CA 0.207 56.449 56.287 -0.075 0.000 1.094 1540 K CB 0.272 32.755 32.500 -0.029 0.000 0.841 1540 K HN 0.559 nan 8.250 nan 0.000 0.523 1541 Q N 1.549 121.152 119.800 -0.328 0.000 3.230 1541 Q HA 0.144 4.483 4.340 -0.001 0.000 0.303 1541 Q C -2.501 173.043 176.000 -0.759 0.000 0.884 1541 Q CA -1.322 53.957 55.803 -0.873 0.000 0.859 1541 Q CB 1.535 29.952 28.738 -0.535 0.000 1.432 1541 Q HN 0.007 nan 8.270 nan 0.000 0.403 1542 P HA 0.076 nan 4.420 nan 0.000 0.212 1542 P C 0.604 177.734 177.300 -0.283 0.000 1.816 1542 P CA 0.073 63.003 63.100 -0.284 0.000 0.944 1542 P CB -0.144 31.468 31.700 -0.146 0.000 1.896 1543 I N 0.658 120.955 120.570 -0.455 0.000 2.454 1543 I HA -0.271 3.898 4.170 -0.001 0.000 0.254 1543 I C 1.564 177.477 176.117 -0.340 0.000 1.156 1543 I CA 1.564 62.615 61.300 -0.415 0.000 1.433 1543 I CB 0.193 37.769 38.000 -0.708 0.000 1.082 1543 I HN 0.027 nan 8.210 nan 0.000 0.432 1544 E N 0.790 120.887 120.200 -0.171 0.000 2.106 1544 E HA -0.183 4.167 4.350 -0.001 0.000 0.192 1544 E C 2.072 178.800 176.600 0.213 0.000 0.984 1544 E CA 1.290 57.779 56.400 0.148 0.000 0.806 1544 E CB -0.153 29.731 29.700 0.308 0.000 0.750 1544 E HN 0.523 nan 8.360 nan 0.000 0.458 1545 I N 0.449 121.057 120.570 0.063 0.000 2.179 1545 I HA -0.278 3.892 4.170 -0.001 0.000 0.242 1545 I C 2.092 178.154 176.117 -0.092 0.000 1.088 1545 I CA 1.039 62.341 61.300 0.004 0.000 1.357 1545 I CB -0.215 37.759 38.000 -0.043 0.000 1.051 1545 I HN 0.120 nan 8.210 nan 0.000 0.409 1546 L N -0.016 121.099 121.223 -0.179 0.000 2.046 1546 L HA -0.226 4.114 4.340 -0.001 0.000 0.208 1546 L C 2.757 179.449 176.870 -0.296 0.000 1.077 1546 L CA 1.386 56.015 54.840 -0.352 0.000 0.747 1546 L CB -0.687 41.238 42.059 -0.223 0.000 0.896 1546 L HN 0.178 nan 8.230 nan 0.000 0.432 1547 R N -0.521 119.798 120.500 -0.302 0.000 2.112 1547 R HA -0.179 4.161 4.340 -0.001 0.000 0.242 1547 R C 2.334 178.666 176.300 0.053 0.000 1.137 1547 R CA 2.263 58.129 56.100 -0.391 0.000 0.944 1547 R CB -0.549 29.054 30.300 -1.162 0.000 0.857 1547 R HN 0.331 nan 8.270 nan 0.000 0.435 1548 T N 0.896 115.550 114.554 0.166 0.000 2.812 1548 T HA -0.030 4.320 4.350 -0.001 0.000 0.264 1548 T C 1.773 176.583 174.700 0.183 0.000 1.042 1548 T CA 0.790 63.077 62.100 0.311 0.000 1.140 1548 T CB -0.004 69.159 68.868 0.492 0.000 0.870 1548 T HN 0.050 nan 8.240 nan 0.000 0.445 1549 I N 1.132 121.697 120.570 -0.009 0.000 2.202 1549 I HA -0.112 4.058 4.170 -0.001 0.000 0.242 1549 I C 2.192 178.234 176.117 -0.124 0.000 1.091 1549 I CA 1.652 62.839 61.300 -0.188 0.000 1.368 1549 I CB -1.298 36.516 38.000 -0.310 0.000 1.058 1549 I HN 0.424 nan 8.210 nan 0.000 0.410 1550 H N 0.397 119.429 119.070 -0.062 0.000 2.421 1550 H HA -0.128 4.427 4.556 -0.001 0.000 0.298 1550 H C 2.422 177.593 175.328 -0.262 0.000 1.087 1550 H CA 1.435 57.409 56.048 -0.123 0.000 1.330 1550 H CB 0.100 29.748 29.762 -0.190 0.000 1.388 1550 H HN 0.375 nan 8.280 nan 0.000 0.526 1551 S N 0.352 115.998 115.700 -0.091 0.000 2.442 1551 S HA -0.172 4.297 4.470 -0.001 0.000 0.236 1551 S C 1.509 176.036 174.600 -0.123 0.000 1.007 1551 S CA 0.966 59.143 58.200 -0.039 0.000 0.965 1551 S CB -0.505 62.807 63.200 0.186 0.000 0.773 1551 S HN 0.317 nan 8.310 nan 0.000 0.504 1552 F N 1.635 121.531 119.950 -0.091 0.000 2.789 1552 F HA 0.251 4.777 4.527 -0.001 0.000 0.300 1552 F C 0.875 176.627 175.800 -0.079 0.000 1.132 1552 F CA 0.255 58.223 58.000 -0.054 0.000 1.404 1552 F CB -0.205 38.752 39.000 -0.071 0.000 1.114 1552 F HN 0.143 nan 8.300 nan 0.000 0.584 1553 D N 0.400 120.786 120.400 -0.023 0.000 2.746 1553 D HA -0.141 4.499 4.640 -0.001 0.000 0.241 1553 D C -2.637 173.730 176.300 0.112 0.000 1.140 1553 D CA -0.122 53.761 54.000 -0.194 0.000 0.707 1553 D CB -0.484 40.001 40.800 -0.525 0.000 1.034 1553 D HN 0.087 nan 8.370 nan 0.000 0.423 1554 P HA 0.180 nan 4.420 nan 0.000 0.271 1554 P C -0.237 177.214 177.300 0.251 0.000 1.216 1554 P CA -0.561 62.730 63.100 0.319 0.000 0.776 1554 P CB 1.239 33.137 31.700 0.331 0.000 0.881 1555 C N 5.639 125.088 119.300 0.249 0.000 2.478 1555 C HA 0.332 4.791 4.460 -0.001 0.000 0.334 1555 C C 1.277 176.394 174.990 0.212 0.000 1.106 1555 C CA -0.502 58.643 59.018 0.211 0.000 1.363 1555 C CB -0.924 26.940 27.740 0.205 0.000 1.941 1555 C HN 0.473 nan 8.230 nan 0.000 0.436 1556 I N 3.965 124.650 120.570 0.192 0.000 2.716 1556 I HA 0.044 4.213 4.170 -0.001 0.000 0.259 1556 I C 2.488 178.720 176.117 0.191 0.000 1.172 1556 I CA 1.467 62.883 61.300 0.194 0.000 1.478 1556 I CB -1.527 36.596 38.000 0.205 0.000 1.104 1556 I HN 0.789 nan 8.210 nan 0.000 0.439 1557 A N 0.364 123.291 122.820 0.179 0.000 1.877 1557 A HA -0.218 4.101 4.320 -0.001 0.000 0.216 1557 A C 2.604 180.314 177.584 0.210 0.000 1.186 1557 A CA 1.847 53.989 52.037 0.175 0.000 0.620 1557 A CB -1.178 17.915 19.000 0.155 0.000 0.822 1557 A HN 0.458 nan 8.150 nan 0.000 0.443 1558 C N -1.157 118.292 119.300 0.248 0.000 2.432 1558 C HA 0.030 4.490 4.460 -0.001 0.000 0.277 1558 C C 3.357 178.587 174.990 0.400 0.000 1.249 1558 C CA 0.957 60.176 59.018 0.334 0.000 1.725 1558 C CB -1.273 26.683 27.740 0.360 0.000 2.028 1558 C HN 0.698 nan 8.230 nan 0.000 0.477 1559 A N -0.523 122.469 122.820 0.287 0.000 1.972 1559 A HA -0.078 4.242 4.320 -0.001 0.000 0.219 1559 A C 2.144 179.804 177.584 0.127 0.000 1.169 1559 A CA 2.357 54.529 52.037 0.225 0.000 0.635 1559 A CB -0.380 18.701 19.000 0.135 0.000 0.810 1559 A HN 0.427 nan 8.150 nan 0.000 0.446 1560 V N -0.274 119.676 119.914 0.060 0.000 2.788 1560 V HA 0.094 4.213 4.120 -0.001 0.000 0.241 1560 V C 0.908 176.688 176.094 -0.524 0.000 1.083 1560 V CA 0.674 62.882 62.300 -0.153 0.000 1.103 1560 V CB -0.891 30.977 31.823 0.075 0.000 0.800 1560 V HN 0.873 nan 8.190 nan 0.000 0.476 1561 H N 0.000 119.118 119.070 0.080 0.000 2.539 1561 H HA 0.000 4.556 4.556 -0.001 0.000 0.296 1561 H CA 0.000 56.062 56.048 0.023 0.000 1.023 1561 H CB 0.000 29.749 29.762 -0.021 0.000 1.292 1561 H HN 0.000 nan 8.280 nan 0.000 0.496