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 1x13_1_A DATA FIRST_RESID 1001 DATA SEQUENCE GRIGIPRERL TNETRVAATP KTVEQLLKLG FTVAVESGAG QLASFDDKAF DATA SEQUENCE VQAGAEIVEG NSVWQSEIIL KVNAPLDDEI ALLNPGTTLV SFIWPAQNPE DATA SEQUENCE LMQKLAERNV TVMAMDSVPR ISRAQSLDAL SSMANIAGYR AIVEAAHEFG DATA SEQUENCE RFFTGQITAA GKVPPAKVMV IGAGVAGLAA IGAANSLGAI VRAFDTRPEV DATA SEQUENCE KEQVQSMGAE FLELXXXXXX XXGDGYAKVM SDAFIKAEME LFAAQAKEVD DATA SEQUENCE IIVTTALIPG KPAPKLITRE MVDSMKAGSV IVDLAAQNGG NCEYTVPGEI DATA SEQUENCE FTTENGVKVI GYTDLPGRLP TQSSQLYGTN LVNLLKLLCK EKDGNITVDF DATA SEQUENCE DDVVIRGVTV IRAGEITWPA PPIQVS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1001 G HA2 0.000 nan 3.960 nan 0.000 0.244 1001 G HA3 0.000 3.957 3.960 -0.006 0.000 0.244 1001 G C 0.000 175.028 174.900 0.214 0.000 0.946 1001 G CA 0.000 45.199 45.100 0.166 0.000 0.502 1002 R N 1.151 121.716 120.500 0.108 0.000 2.312 1002 R HA 0.705 5.042 4.340 -0.006 0.000 0.311 1002 R C -0.387 175.902 176.300 -0.018 0.000 1.004 1002 R CA -0.665 55.467 56.100 0.054 0.000 0.902 1002 R CB 0.850 31.160 30.300 0.016 0.000 1.073 1002 R HN 0.252 nan 8.270 nan 0.000 0.457 1003 I N 2.835 123.360 120.570 -0.074 0.000 2.353 1003 I HA 0.333 4.500 4.170 -0.006 0.000 0.293 1003 I C 0.594 176.610 176.117 -0.168 0.000 0.992 1003 I CA -0.370 60.822 61.300 -0.180 0.000 1.268 1003 I CB 2.019 39.854 38.000 -0.276 0.000 1.387 1003 I HN 0.697 nan 8.210 nan 0.000 0.478 1004 G N 7.052 115.728 108.800 -0.207 0.000 2.416 1004 G HA2 0.626 4.583 3.960 -0.006 0.000 0.324 1004 G HA3 0.626 4.583 3.960 -0.006 0.000 0.324 1004 G C -0.664 174.051 174.900 -0.309 0.000 1.194 1004 G CA -0.352 44.597 45.100 -0.252 0.000 0.922 1004 G HN 0.351 nan 8.290 nan 0.000 0.467 1005 I N 3.431 123.815 120.570 -0.309 0.000 2.388 1005 I HA 0.280 4.447 4.170 -0.006 0.000 0.281 1005 I C -2.387 173.533 176.117 -0.328 0.000 1.046 1005 I CA -3.064 58.052 61.300 -0.306 0.000 1.187 1005 I CB 0.986 38.805 38.000 -0.302 0.000 1.351 1005 I HN 0.162 nan 8.210 nan 0.000 0.472 1006 P HA 0.222 nan 4.420 nan 0.000 0.274 1006 P C 0.026 177.235 177.300 -0.150 0.000 1.231 1006 P CA -0.585 62.321 63.100 -0.323 0.000 0.790 1006 P CB 0.760 32.181 31.700 -0.464 0.000 0.951 1007 R N 2.245 122.699 120.500 -0.076 0.000 2.522 1007 R HA 0.014 4.351 4.340 -0.006 0.000 0.284 1007 R C 0.090 176.410 176.300 0.034 0.000 1.032 1007 R CA 0.060 56.155 56.100 -0.008 0.000 1.049 1007 R CB 0.133 30.443 30.300 0.017 0.000 0.956 1007 R HN 0.414 nan 8.270 nan 0.000 0.422 1008 E N 4.269 124.495 120.200 0.044 0.000 2.324 1008 E HA -0.009 4.338 4.350 -0.006 0.000 0.271 1008 E C 0.292 176.933 176.600 0.068 0.000 1.028 1008 E CA 0.222 56.660 56.400 0.064 0.000 0.890 1008 E CB 1.085 30.821 29.700 0.059 0.000 1.004 1008 E HN 0.559 nan 8.360 nan 0.000 0.431 1009 R N 1.708 122.258 120.500 0.084 0.000 2.365 1009 R HA 0.106 4.442 4.340 -0.006 0.000 0.223 1009 R C 0.416 176.750 176.300 0.057 0.000 0.899 1009 R CA -0.503 55.641 56.100 0.073 0.000 1.059 1009 R CB 0.248 30.604 30.300 0.092 0.000 1.086 1009 R HN 0.286 nan 8.270 nan 0.000 0.522 1010 L N 2.672 123.929 121.223 0.057 0.000 2.559 1010 L HA -0.012 4.324 4.340 -0.006 0.000 0.274 1010 L C -0.181 176.707 176.870 0.030 0.000 1.205 1010 L CA 0.943 55.809 54.840 0.042 0.000 0.907 1010 L CB 0.695 42.779 42.059 0.043 0.000 1.153 1010 L HN 0.005 nan 8.230 nan 0.000 0.490 1011 T N 6.005 120.572 114.554 0.022 0.000 2.933 1011 T HA 0.015 4.362 4.350 -0.006 0.000 0.306 1011 T C 0.953 175.658 174.700 0.009 0.000 1.045 1011 T CA 0.653 62.762 62.100 0.015 0.000 1.143 1011 T CB -0.010 68.865 68.868 0.012 0.000 1.003 1011 T HN 0.862 nan 8.240 nan 0.000 0.540 1012 N N -0.380 118.323 118.700 0.005 0.000 2.936 1012 N HA -0.154 4.583 4.740 -0.006 0.000 0.236 1012 N C -0.080 175.427 175.510 -0.006 0.000 0.930 1012 N CA 1.271 54.318 53.050 -0.005 0.000 0.966 1012 N CB -0.978 37.500 38.487 -0.014 0.000 1.090 1012 N HN 0.796 nan 8.380 nan 0.000 0.592 1013 E N 0.820 121.024 120.200 0.006 0.000 2.376 1013 E HA 0.253 4.600 4.350 -0.006 0.000 0.266 1013 E C 1.230 177.840 176.600 0.016 0.000 1.009 1013 E CA 0.812 57.218 56.400 0.010 0.000 0.902 1013 E CB 0.580 30.294 29.700 0.024 0.000 0.972 1013 E HN 0.333 nan 8.360 nan 0.000 0.439 1014 T N 1.117 115.679 114.554 0.013 0.000 2.985 1014 T HA 0.275 4.621 4.350 -0.006 0.000 0.254 1014 T C 0.631 175.361 174.700 0.050 0.000 1.021 1014 T CA -0.295 61.818 62.100 0.022 0.000 0.957 1014 T CB 0.137 69.005 68.868 0.001 0.000 1.047 1014 T HN 0.263 nan 8.240 nan 0.000 0.511 1015 R N 0.524 121.056 120.500 0.053 0.000 2.577 1015 R HA 0.719 5.055 4.340 -0.006 0.000 0.269 1015 R C -0.933 175.435 176.300 0.113 0.000 1.084 1015 R CA -0.583 55.569 56.100 0.086 0.000 1.163 1015 R CB 1.187 31.519 30.300 0.053 0.000 1.100 1015 R HN 0.160 nan 8.270 nan 0.000 0.547 1016 V N -0.041 119.973 119.914 0.166 0.000 3.049 1016 V HA 0.449 4.565 4.120 -0.006 0.000 0.309 1016 V C -0.049 176.165 176.094 0.200 0.000 1.148 1016 V CA -0.332 62.068 62.300 0.166 0.000 0.990 1016 V CB 2.088 34.039 31.823 0.214 0.000 1.039 1016 V HN 0.898 nan 8.190 nan 0.000 0.430 1017 A N 4.138 127.048 122.820 0.151 0.000 2.208 1017 A HA 0.816 5.132 4.320 -0.006 0.000 0.209 1017 A C 0.778 178.392 177.584 0.051 0.000 1.161 1017 A CA 0.889 53.032 52.037 0.176 0.000 0.782 1017 A CB -0.282 18.777 19.000 0.098 0.000 0.816 1017 A HN 1.865 nan 8.150 nan 0.000 0.477 1018 A N -0.971 121.882 122.820 0.054 0.000 2.547 1018 A HA 0.626 4.942 4.320 -0.006 0.000 0.297 1018 A C -0.144 177.518 177.584 0.130 0.000 1.056 1018 A CA 0.134 52.191 52.037 0.033 0.000 0.688 1018 A CB 0.521 19.509 19.000 -0.021 0.000 1.282 1018 A HN 0.635 nan 8.150 nan 0.000 0.400 1019 T N -0.733 113.786 114.554 -0.060 0.000 2.949 1019 T HA 0.695 5.042 4.350 -0.006 0.000 0.287 1019 T C -2.187 172.272 174.700 -0.401 0.000 1.034 1019 T CA -1.902 59.884 62.100 -0.522 0.000 1.018 1019 T CB 1.457 69.857 68.868 -0.780 0.000 1.135 1019 T HN 0.168 nan 8.240 nan 0.000 0.532 1020 P HA -0.080 nan 4.420 nan 0.000 0.216 1020 P C 1.426 178.594 177.300 -0.220 0.000 1.153 1020 P CA 1.326 64.162 63.100 -0.440 0.000 0.858 1020 P CB 0.070 31.470 31.700 -0.501 0.000 0.789 1021 K N -0.879 119.377 120.400 -0.240 0.000 2.057 1021 K HA -0.122 4.195 4.320 -0.006 0.000 0.207 1021 K C 2.134 178.680 176.600 -0.089 0.000 1.049 1021 K CA 2.139 58.350 56.287 -0.127 0.000 0.931 1021 K CB -0.739 31.701 32.500 -0.101 0.000 0.714 1021 K HN 0.306 nan 8.250 nan 0.000 0.440 1022 T N -1.587 112.906 114.554 -0.101 0.000 2.904 1022 T HA -0.042 4.305 4.350 -0.006 0.000 0.267 1022 T C 1.993 176.670 174.700 -0.038 0.000 1.059 1022 T CA 0.744 62.806 62.100 -0.064 0.000 1.137 1022 T CB -0.342 68.482 68.868 -0.072 0.000 0.879 1022 T HN -0.102 nan 8.240 nan 0.000 0.467 1023 V N 2.012 121.915 119.914 -0.019 0.000 2.332 1023 V HA -0.178 3.939 4.120 -0.006 0.000 0.248 1023 V C 2.816 178.916 176.094 0.011 0.000 1.055 1023 V CA 2.085 64.394 62.300 0.015 0.000 1.038 1023 V CB -0.675 31.198 31.823 0.083 0.000 0.651 1023 V HN 0.591 nan 8.190 nan 0.000 0.450 1024 E N -0.319 119.878 120.200 -0.006 0.000 2.058 1024 E HA -0.307 4.040 4.350 -0.006 0.000 0.194 1024 E C 2.303 178.906 176.600 0.005 0.000 0.997 1024 E CA 1.622 58.021 56.400 -0.003 0.000 0.801 1024 E CB -0.206 29.485 29.700 -0.017 0.000 0.746 1024 E HN 0.688 nan 8.360 nan 0.000 0.450 1025 Q N 0.343 120.142 119.800 -0.002 0.000 2.124 1025 Q HA -0.121 4.215 4.340 -0.006 0.000 0.202 1025 Q C 2.364 178.387 176.000 0.038 0.000 0.977 1025 Q CA 0.891 56.698 55.803 0.007 0.000 0.850 1025 Q CB -0.067 28.667 28.738 -0.008 0.000 0.901 1025 Q HN 0.311 nan 8.270 nan 0.000 0.429 1026 L N -0.147 121.102 121.223 0.044 0.000 2.093 1026 L HA -0.189 4.148 4.340 -0.006 0.000 0.208 1026 L C 1.989 178.968 176.870 0.180 0.000 1.085 1026 L CA 0.460 55.367 54.840 0.112 0.000 0.755 1026 L CB -0.232 41.844 42.059 0.030 0.000 0.904 1026 L HN 0.238 nan 8.230 nan 0.000 0.435 1027 L N -0.204 121.075 121.223 0.094 0.000 2.141 1027 L HA -0.174 4.163 4.340 -0.006 0.000 0.209 1027 L C 2.382 179.272 176.870 0.032 0.000 1.094 1027 L CA 1.630 56.511 54.840 0.068 0.000 0.763 1027 L CB -0.698 41.383 42.059 0.037 0.000 0.908 1027 L HN 0.136 nan 8.230 nan 0.000 0.437 1028 K N -0.592 119.824 120.400 0.026 0.000 2.283 1028 K HA -0.017 4.300 4.320 -0.006 0.000 0.202 1028 K C 1.524 178.114 176.600 -0.017 0.000 1.048 1028 K CA 0.687 56.974 56.287 0.000 0.000 0.948 1028 K CB -0.091 32.410 32.500 0.002 0.000 0.742 1028 K HN 0.304 nan 8.250 nan 0.000 0.458 1029 L N 0.046 121.275 121.223 0.010 0.000 2.627 1029 L HA 0.111 4.447 4.340 -0.006 0.000 0.232 1029 L C 1.015 177.692 176.870 -0.321 0.000 1.150 1029 L CA 0.173 54.976 54.840 -0.061 0.000 0.917 1029 L CB -0.131 42.009 42.059 0.134 0.000 1.104 1029 L HN 0.363 nan 8.230 nan 0.000 0.445 1030 G N -0.385 108.281 108.800 -0.223 0.000 2.159 1030 G HA2 -0.302 3.655 3.960 -0.006 0.000 0.256 1030 G HA3 -0.302 3.655 3.960 -0.006 0.000 0.256 1030 G C 0.119 174.822 174.900 -0.327 0.000 0.977 1030 G CA -0.253 44.675 45.100 -0.287 0.000 0.652 1030 G HN 0.216 nan 8.290 nan 0.000 0.531 1031 F N 1.609 121.543 119.950 -0.028 0.000 2.370 1031 F HA 0.622 5.148 4.527 -0.002 0.000 0.324 1031 F C 1.337 177.119 175.800 -0.030 0.000 1.116 1031 F CA 0.126 58.107 58.000 -0.031 0.000 1.123 1031 F CB 1.015 39.992 39.000 -0.039 0.000 1.238 1031 F HN 0.162 nan 8.300 nan 0.000 0.536 1032 T N -1.228 113.428 114.554 0.170 0.000 2.927 1032 T HA 0.786 5.133 4.350 -0.006 0.000 0.281 1032 T C -0.806 173.930 174.700 0.060 0.000 0.998 1032 T CA -0.793 61.357 62.100 0.084 0.000 1.019 1032 T CB 1.586 70.481 68.868 0.045 0.000 1.061 1032 T HN 0.364 nan 8.240 nan 0.000 0.518 1033 V N 0.709 120.632 119.914 0.014 0.000 2.577 1033 V HA 0.738 4.855 4.120 -0.006 0.000 0.303 1033 V C -0.121 175.936 176.094 -0.060 0.000 1.042 1033 V CA -1.103 61.175 62.300 -0.036 0.000 0.872 1033 V CB 1.405 33.206 31.823 -0.037 0.000 0.998 1033 V HN 1.342 nan 8.190 nan 0.000 0.423 1034 A N 4.356 127.116 122.820 -0.099 0.000 2.318 1034 A HA 0.885 5.201 4.320 -0.006 0.000 0.324 1034 A C -0.812 176.654 177.584 -0.196 0.000 1.170 1034 A CA -0.558 51.408 52.037 -0.118 0.000 0.810 1034 A CB 1.499 20.441 19.000 -0.097 0.000 1.198 1034 A HN 0.703 nan 8.150 nan 0.000 0.484 1035 V N 2.513 122.285 119.914 -0.237 0.000 2.417 1035 V HA 0.272 4.389 4.120 -0.006 0.000 0.291 1035 V C 0.427 176.370 176.094 -0.253 0.000 1.024 1035 V CA -0.655 61.428 62.300 -0.361 0.000 0.861 1035 V CB 1.491 32.905 31.823 -0.682 0.000 0.985 1035 V HN 1.028 nan 8.190 nan 0.000 0.436 1036 E N 3.046 123.110 120.200 -0.228 0.000 2.417 1036 E HA 0.067 4.414 4.350 -0.006 0.000 0.261 1036 E C 0.379 176.916 176.600 -0.105 0.000 1.000 1036 E CA -0.058 56.260 56.400 -0.137 0.000 0.919 1036 E CB 0.622 30.254 29.700 -0.114 0.000 0.955 1036 E HN 0.739 nan 8.360 nan 0.000 0.455 1037 S N 3.150 118.820 115.700 -0.050 0.000 2.642 1037 S HA 0.101 4.568 4.470 -0.006 0.000 0.308 1037 S C 1.098 175.704 174.600 0.010 0.000 1.255 1037 S CA 1.190 59.386 58.200 -0.007 0.000 1.057 1037 S CB -0.149 63.057 63.200 0.011 0.000 0.785 1037 S HN 0.926 nan 8.310 nan 0.000 0.500 1038 G N 3.382 112.208 108.800 0.044 0.000 2.199 1038 G HA2 -0.271 3.686 3.960 -0.006 0.000 0.254 1038 G HA3 -0.271 3.686 3.960 -0.006 0.000 0.254 1038 G C 1.053 175.994 174.900 0.069 0.000 0.982 1038 G CA 0.578 45.715 45.100 0.062 0.000 0.632 1038 G HN 1.433 nan 8.290 nan 0.000 0.529 1039 A N 0.250 123.087 122.820 0.028 0.000 1.940 1039 A HA 0.342 4.659 4.320 -0.006 0.000 0.219 1039 A C 2.505 180.162 177.584 0.122 0.000 1.176 1039 A CA 2.351 54.397 52.037 0.015 0.000 0.631 1039 A CB -0.583 18.348 19.000 -0.115 0.000 0.814 1039 A HN 1.671 nan 8.150 nan 0.000 0.446 1040 G N -2.027 106.935 108.800 0.269 0.000 3.233 1040 G HA2 0.228 4.185 3.960 -0.006 0.000 0.234 1040 G HA3 0.228 4.185 3.960 -0.006 0.000 0.234 1040 G C 1.192 176.271 174.900 0.299 0.000 1.137 1040 G CA 0.672 46.041 45.100 0.447 0.000 0.763 1040 G HN 0.450 nan 8.290 nan 0.000 0.549 1041 Q N 0.424 120.336 119.800 0.187 0.000 2.050 1041 Q HA 0.046 4.382 4.340 -0.006 0.000 0.202 1041 Q C 2.280 178.308 176.000 0.047 0.000 0.980 1041 Q CA 1.262 57.129 55.803 0.107 0.000 0.840 1041 Q CB -0.330 28.455 28.738 0.079 0.000 0.898 1041 Q HN 0.472 nan 8.270 nan 0.000 0.424 1042 L N -0.517 120.735 121.223 0.048 0.000 2.376 1042 L HA 0.005 4.342 4.340 -0.006 0.000 0.219 1042 L C 1.544 178.408 176.870 -0.009 0.000 1.133 1042 L CA 0.664 55.512 54.840 0.014 0.000 0.816 1042 L CB -0.252 41.820 42.059 0.021 0.000 0.933 1042 L HN 0.198 nan 8.230 nan 0.000 0.449 1043 A N -1.738 121.089 122.820 0.012 0.000 2.379 1043 A HA 0.216 4.533 4.320 -0.006 0.000 0.236 1043 A C 1.251 178.615 177.584 -0.367 0.000 1.272 1043 A CA 0.348 52.353 52.037 -0.053 0.000 0.886 1043 A CB 0.091 19.176 19.000 0.142 0.000 0.962 1043 A HN 0.254 nan 8.150 nan 0.000 0.504 1044 S N -1.999 113.528 115.700 -0.287 0.000 3.482 1044 S HA -0.153 4.314 4.470 -0.006 0.000 0.294 1044 S C -0.478 173.824 174.600 -0.497 0.000 1.244 1044 S CA 0.900 58.867 58.200 -0.388 0.000 0.911 1044 S CB -2.119 60.818 63.200 -0.438 0.000 1.070 1044 S HN 0.545 nan 8.310 nan 0.000 0.614 1045 F N 2.280 122.217 119.950 -0.021 0.000 2.347 1045 F HA 0.470 4.989 4.527 -0.014 0.000 0.366 1045 F C 0.564 176.364 175.800 -0.001 0.000 1.107 1045 F CA -1.568 56.362 58.000 -0.116 0.000 1.058 1045 F CB 0.743 39.586 39.000 -0.262 0.000 1.236 1045 F HN -0.117 nan 8.300 nan 0.000 0.456 1046 D N 1.934 122.414 120.400 0.133 0.000 2.368 1046 D HA 0.021 4.657 4.640 -0.006 0.000 0.240 1046 D C 1.034 177.470 176.300 0.225 0.000 1.169 1046 D CA 0.106 54.190 54.000 0.140 0.000 0.906 1046 D CB 0.794 41.637 40.800 0.072 0.000 1.187 1046 D HN 0.415 nan 8.370 nan 0.000 0.435 1047 D N 0.430 120.964 120.400 0.223 0.000 2.116 1047 D HA -0.194 4.442 4.640 -0.006 0.000 0.193 1047 D C 1.865 178.285 176.300 0.201 0.000 0.998 1047 D CA 1.325 55.473 54.000 0.246 0.000 0.836 1047 D CB -0.043 40.838 40.800 0.135 0.000 0.951 1047 D HN 0.552 nan 8.370 nan 0.000 0.449 1048 K N 0.695 121.165 120.400 0.115 0.000 2.211 1048 K HA 0.071 4.387 4.320 -0.006 0.000 0.203 1048 K C 2.039 178.670 176.600 0.052 0.000 1.050 1048 K CA 1.198 57.531 56.287 0.077 0.000 0.945 1048 K CB -0.107 32.422 32.500 0.048 0.000 0.732 1048 K HN 0.032 nan 8.250 nan 0.000 0.451 1049 A N 1.146 123.977 122.820 0.019 0.000 1.969 1049 A HA -0.041 4.276 4.320 -0.006 0.000 0.218 1049 A C 1.747 179.238 177.584 -0.156 0.000 1.169 1049 A CA 0.879 52.869 52.037 -0.079 0.000 0.635 1049 A CB -0.634 18.301 19.000 -0.109 0.000 0.810 1049 A HN 0.301 nan 8.150 nan 0.000 0.445 1050 F N -0.314 119.643 119.950 0.011 0.000 2.146 1050 F HA -0.099 4.422 4.527 -0.011 0.000 0.298 1050 F C 2.422 178.211 175.800 -0.019 0.000 1.096 1050 F CA 1.301 59.286 58.000 -0.025 0.000 1.275 1050 F CB -0.608 38.377 39.000 -0.025 0.000 1.008 1050 F HN 0.020 nan 8.300 nan 0.000 0.480 1051 V N -0.201 119.816 119.914 0.172 0.000 2.407 1051 V HA -0.323 3.794 4.120 -0.006 0.000 0.248 1051 V C 2.366 178.494 176.094 0.055 0.000 1.055 1051 V CA 2.073 64.429 62.300 0.094 0.000 1.049 1051 V CB -0.763 31.103 31.823 0.072 0.000 0.662 1051 V HN 0.376 nan 8.190 nan 0.000 0.455 1052 Q N 0.122 119.942 119.800 0.035 0.000 2.124 1052 Q HA -0.180 4.156 4.340 -0.006 0.000 0.202 1052 Q C 2.095 178.099 176.000 0.005 0.000 0.977 1052 Q CA 1.816 57.625 55.803 0.011 0.000 0.850 1052 Q CB -0.255 28.480 28.738 -0.005 0.000 0.901 1052 Q HN 0.642 nan 8.270 nan 0.000 0.429 1053 A N -0.561 122.262 122.820 0.005 0.000 2.167 1053 A HA 0.207 4.524 4.320 -0.006 0.000 0.214 1053 A C 1.492 179.091 177.584 0.025 0.000 1.151 1053 A CA 1.032 53.070 52.037 0.002 0.000 0.735 1053 A CB -0.288 18.704 19.000 -0.013 0.000 0.802 1053 A HN 0.659 nan 8.150 nan 0.000 0.467 1054 G N -2.704 106.119 108.800 0.039 0.000 2.154 1054 G HA2 0.215 4.172 3.960 -0.006 0.000 0.186 1054 G HA3 0.215 4.172 3.960 -0.006 0.000 0.186 1054 G C 0.255 175.179 174.900 0.040 0.000 1.000 1054 G CA 0.114 45.234 45.100 0.034 0.000 0.664 1054 G HN 1.425 nan 8.290 nan 0.000 0.513 1055 A N -0.132 122.726 122.820 0.062 0.000 2.302 1055 A HA 0.756 5.072 4.320 -0.006 0.000 0.285 1055 A C 0.321 177.922 177.584 0.028 0.000 1.105 1055 A CA 0.228 52.289 52.037 0.041 0.000 0.816 1055 A CB 0.808 19.838 19.000 0.050 0.000 1.067 1055 A HN 0.586 nan 8.150 nan 0.000 0.489 1056 E N 1.265 121.464 120.200 -0.003 0.000 2.249 1056 E HA 0.404 4.750 4.350 -0.006 0.000 0.280 1056 E C -0.932 175.651 176.600 -0.028 0.000 1.016 1056 E CA -0.573 55.823 56.400 -0.007 0.000 0.830 1056 E CB 0.572 30.265 29.700 -0.012 0.000 1.081 1056 E HN 0.480 nan 8.360 nan 0.000 0.395 1057 I N 5.555 126.118 120.570 -0.013 0.000 2.331 1057 I HA 0.190 4.356 4.170 -0.006 0.000 0.292 1057 I C 0.217 176.319 176.117 -0.024 0.000 0.998 1057 I CA -0.554 60.731 61.300 -0.026 0.000 1.267 1057 I CB 0.804 38.809 38.000 0.008 0.000 1.386 1057 I HN 0.372 nan 8.210 nan 0.000 0.476 1058 V N 4.230 124.119 119.914 -0.041 0.000 2.914 1058 V HA 0.678 4.795 4.120 -0.006 0.000 0.314 1058 V C -0.376 175.707 176.094 -0.018 0.000 1.084 1058 V CA -0.749 61.536 62.300 -0.026 0.000 0.963 1058 V CB 2.520 34.324 31.823 -0.032 0.000 1.025 1058 V HN 0.720 nan 8.190 nan 0.000 0.432 1059 E N 1.744 121.945 120.200 0.001 0.000 2.222 1059 E HA 0.686 5.033 4.350 -0.006 0.000 0.267 1059 E C 0.537 177.155 176.600 0.030 0.000 0.963 1059 E CA -0.086 56.322 56.400 0.013 0.000 0.837 1059 E CB 1.780 31.490 29.700 0.017 0.000 1.183 1059 E HN 1.607 nan 8.360 nan 0.000 0.403 1060 G N 2.208 111.033 108.800 0.043 0.000 2.552 1060 G HA2 -0.321 3.636 3.960 -0.006 0.000 0.265 1060 G HA3 -0.321 3.636 3.960 -0.006 0.000 0.265 1060 G C 0.280 175.248 174.900 0.113 0.000 1.234 1060 G CA 0.136 45.276 45.100 0.067 0.000 0.944 1060 G HN 0.587 nan 8.290 nan 0.000 0.568 1061 N N 1.323 120.107 118.700 0.141 0.000 2.383 1061 N HA 0.065 4.802 4.740 -0.006 0.000 0.192 1061 N C 2.278 177.943 175.510 0.258 0.000 1.141 1061 N CA 1.213 54.424 53.050 0.267 0.000 0.851 1061 N CB 0.106 38.691 38.487 0.163 0.000 0.976 1061 N HN 0.730 nan 8.380 nan 0.000 0.465 1062 S N -0.620 115.158 115.700 0.131 0.000 2.474 1062 S HA -0.066 4.401 4.470 -0.006 0.000 0.235 1062 S C 1.945 176.578 174.600 0.055 0.000 0.997 1062 S CA 0.273 58.526 58.200 0.088 0.000 0.949 1062 S CB -0.517 62.710 63.200 0.045 0.000 0.766 1062 S HN 0.116 nan 8.310 nan 0.000 0.517 1063 V N 0.619 120.535 119.914 0.003 0.000 2.490 1063 V HA -0.093 4.023 4.120 -0.006 0.000 0.250 1063 V C 1.616 177.601 176.094 -0.180 0.000 1.061 1063 V CA 1.433 63.645 62.300 -0.146 0.000 1.064 1063 V CB -0.776 30.875 31.823 -0.287 0.000 0.670 1063 V HN 0.747 nan 8.190 nan 0.000 0.461 1064 W N -0.542 120.743 121.300 -0.025 0.000 2.825 1064 W HA 0.061 4.716 4.660 -0.008 0.000 0.243 1064 W C 1.387 177.895 176.519 -0.018 0.000 1.293 1064 W CA -0.045 57.287 57.345 -0.021 0.000 1.403 1064 W CB -0.093 29.357 29.460 -0.015 0.000 1.134 1064 W HN 0.213 nan 8.180 nan 0.000 0.666 1065 Q N 0.848 120.742 119.800 0.157 0.000 3.170 1065 Q HA 0.185 4.522 4.340 -0.006 0.000 0.346 1065 Q C -0.199 175.827 176.000 0.042 0.000 1.333 1065 Q CA 0.418 56.276 55.803 0.090 0.000 0.958 1065 Q CB 0.070 28.848 28.738 0.066 0.000 1.600 1065 Q HN -0.023 nan 8.270 nan 0.000 0.482 1066 S N 0.028 115.749 115.700 0.034 0.000 2.570 1066 S HA 0.178 4.645 4.470 -0.006 0.000 0.286 1066 S C 0.929 175.533 174.600 0.007 0.000 1.099 1066 S CA -0.782 57.415 58.200 -0.005 0.000 0.913 1066 S CB 2.349 65.509 63.200 -0.067 0.000 1.085 1066 S HN 0.487 nan 8.310 nan 0.000 0.480 1067 E N 1.080 121.283 120.200 0.006 0.000 2.150 1067 E HA 0.011 4.357 4.350 -0.006 0.000 0.193 1067 E C -0.297 176.297 176.600 -0.011 0.000 0.985 1067 E CA 1.027 57.437 56.400 0.015 0.000 0.814 1067 E CB 0.178 29.901 29.700 0.039 0.000 0.752 1067 E HN 0.564 nan 8.360 nan 0.000 0.466 1068 I N 1.844 122.379 120.570 -0.059 0.000 2.533 1068 I HA 0.300 4.466 4.170 -0.006 0.000 0.290 1068 I C -0.683 175.344 176.117 -0.150 0.000 1.056 1068 I CA -0.895 60.336 61.300 -0.115 0.000 1.057 1068 I CB 2.093 39.967 38.000 -0.211 0.000 1.240 1068 I HN -0.045 nan 8.210 nan 0.000 0.423 1069 I N 6.800 127.285 120.570 -0.142 0.000 2.389 1069 I HA 0.429 4.595 4.170 -0.006 0.000 0.288 1069 I C -0.429 175.575 176.117 -0.187 0.000 0.999 1069 I CA -0.477 60.699 61.300 -0.206 0.000 1.129 1069 I CB 1.806 39.689 38.000 -0.195 0.000 1.288 1069 I HN 0.371 nan 8.210 nan 0.000 0.444 1070 L N 6.742 127.836 121.223 -0.214 0.000 2.287 1070 L HA 0.540 4.877 4.340 -0.006 0.000 0.287 1070 L C 0.003 176.801 176.870 -0.119 0.000 1.022 1070 L CA -0.515 54.225 54.840 -0.167 0.000 0.814 1070 L CB 1.365 43.308 42.059 -0.193 0.000 1.217 1070 L HN 0.526 nan 8.230 nan 0.000 0.420 1071 K N 1.540 121.924 120.400 -0.027 0.000 2.466 1071 K HA 0.501 4.818 4.320 -0.006 0.000 0.260 1071 K C 0.153 176.876 176.600 0.206 0.000 1.011 1071 K CA -0.868 55.450 56.287 0.051 0.000 0.871 1071 K CB 2.797 35.321 32.500 0.040 0.000 1.404 1071 K HN 0.164 nan 8.250 nan 0.000 0.450 1072 V N 0.342 120.363 119.914 0.177 0.000 2.326 1072 V HA -0.044 4.073 4.120 -0.006 0.000 0.237 1072 V C 0.529 176.742 176.094 0.198 0.000 1.044 1072 V CA 0.920 63.282 62.300 0.104 0.000 1.035 1072 V CB -0.165 31.649 31.823 -0.014 0.000 0.675 1072 V HN 0.641 nan 8.190 nan 0.000 0.470 1073 N N 0.247 119.042 118.700 0.159 0.000 2.495 1073 N HA 0.502 5.238 4.740 -0.006 0.000 0.280 1073 N C -0.170 175.441 175.510 0.168 0.000 1.168 1073 N CA 0.126 53.284 53.050 0.180 0.000 0.978 1073 N CB 1.324 39.887 38.487 0.127 0.000 1.191 1073 N HN 0.378 nan 8.380 nan 0.000 0.497 1074 A N 1.373 124.295 122.820 0.169 0.000 2.445 1074 A HA 0.323 4.640 4.320 -0.006 0.000 0.242 1074 A C -2.070 175.599 177.584 0.140 0.000 1.075 1074 A CA -0.841 51.282 52.037 0.143 0.000 0.777 1074 A CB -0.606 18.470 19.000 0.127 0.000 1.013 1074 A HN 0.414 nan 8.150 nan 0.000 0.493 1075 P HA 0.107 nan 4.420 nan 0.000 0.262 1075 P C -0.307 177.035 177.300 0.071 0.000 1.182 1075 P CA 0.364 63.554 63.100 0.150 0.000 0.761 1075 P CB 0.198 31.969 31.700 0.119 0.000 0.795 1076 L N 2.506 123.763 121.223 0.056 0.000 2.474 1076 L HA 0.031 4.367 4.340 -0.006 0.000 0.259 1076 L C 1.603 178.463 176.870 -0.018 0.000 1.232 1076 L CA -0.217 54.636 54.840 0.022 0.000 0.821 1076 L CB -0.014 42.059 42.059 0.024 0.000 1.108 1076 L HN 0.326 nan 8.230 nan 0.000 0.495 1077 D N 0.712 121.100 120.400 -0.019 0.000 2.116 1077 D HA -0.208 4.429 4.640 -0.006 0.000 0.193 1077 D C 1.382 177.642 176.300 -0.068 0.000 0.998 1077 D CA 1.826 55.804 54.000 -0.037 0.000 0.836 1077 D CB -0.261 40.524 40.800 -0.025 0.000 0.951 1077 D HN 0.705 nan 8.370 nan 0.000 0.449 1078 D N -0.142 120.217 120.400 -0.068 0.000 2.363 1078 D HA -0.074 4.562 4.640 -0.006 0.000 0.226 1078 D C 1.108 177.301 176.300 -0.178 0.000 1.020 1078 D CA 0.440 54.382 54.000 -0.097 0.000 0.892 1078 D CB -0.415 40.346 40.800 -0.065 0.000 0.900 1078 D HN 0.301 nan 8.370 nan 0.000 0.531 1079 E N -0.398 119.673 120.200 -0.215 0.000 2.431 1079 E HA 0.196 4.542 4.350 -0.006 0.000 0.200 1079 E C 1.837 178.123 176.600 -0.523 0.000 0.995 1079 E CA -0.174 55.950 56.400 -0.459 0.000 0.915 1079 E CB 0.253 29.760 29.700 -0.323 0.000 0.930 1079 E HN 0.271 nan 8.360 nan 0.000 0.496 1080 I N 1.442 121.852 120.570 -0.266 0.000 2.286 1080 I HA -0.235 3.932 4.170 -0.006 0.000 0.248 1080 I C 2.439 178.437 176.117 -0.197 0.000 1.115 1080 I CA 0.912 62.100 61.300 -0.186 0.000 1.392 1080 I CB -0.116 37.830 38.000 -0.091 0.000 1.065 1080 I HN 0.076 nan 8.210 nan 0.000 0.418 1081 A N 0.468 123.167 122.820 -0.202 0.000 2.070 1081 A HA -0.096 4.221 4.320 -0.006 0.000 0.220 1081 A C 2.151 179.614 177.584 -0.202 0.000 1.159 1081 A CA 1.216 53.154 52.037 -0.164 0.000 0.656 1081 A CB -0.624 18.295 19.000 -0.135 0.000 0.800 1081 A HN 0.433 nan 8.150 nan 0.000 0.453 1082 L N -0.353 120.654 121.223 -0.361 0.000 2.492 1082 L HA 0.088 4.425 4.340 -0.006 0.000 0.223 1082 L C 0.028 176.776 176.870 -0.204 0.000 1.132 1082 L CA -0.385 54.223 54.840 -0.386 0.000 0.850 1082 L CB -0.203 41.367 42.059 -0.814 0.000 0.966 1082 L HN 0.185 nan 8.230 nan 0.000 0.454 1083 L N 1.738 122.860 121.223 -0.168 0.000 2.477 1083 L HA 0.084 4.420 4.340 -0.006 0.000 0.272 1083 L C 0.118 177.006 176.870 0.030 0.000 1.157 1083 L CA 0.583 55.448 54.840 0.041 0.000 0.889 1083 L CB -0.149 41.937 42.059 0.046 0.000 1.158 1083 L HN 0.197 nan 8.230 nan 0.000 0.473 1084 N N 5.752 124.494 118.700 0.069 0.000 2.509 1084 N HA 0.334 5.071 4.740 -0.006 0.000 0.287 1084 N C -2.346 173.187 175.510 0.039 0.000 1.121 1084 N CA -1.488 51.588 53.050 0.043 0.000 0.977 1084 N CB 0.714 39.231 38.487 0.050 0.000 1.167 1084 N HN 0.282 nan 8.380 nan 0.000 0.476 1085 P HA -0.011 nan 4.420 nan 0.000 0.263 1085 P C 0.885 178.199 177.300 0.023 0.000 1.175 1085 P CA 0.941 64.053 63.100 0.021 0.000 0.761 1085 P CB 0.240 31.948 31.700 0.013 0.000 0.794 1086 G N 1.452 110.265 108.800 0.022 0.000 2.176 1086 G HA2 -0.224 3.733 3.960 -0.006 0.000 0.253 1086 G HA3 -0.224 3.733 3.960 -0.006 0.000 0.253 1086 G C 0.348 175.263 174.900 0.026 0.000 0.979 1086 G CA 0.126 45.239 45.100 0.020 0.000 0.641 1086 G HN 0.609 nan 8.290 nan 0.000 0.530 1087 T N 1.830 116.405 114.554 0.035 0.000 2.907 1087 T HA 0.503 4.850 4.350 -0.006 0.000 0.298 1087 T C 0.403 175.122 174.700 0.032 0.000 1.017 1087 T CA 0.773 62.897 62.100 0.040 0.000 1.118 1087 T CB 1.279 70.189 68.868 0.070 0.000 0.948 1087 T HN 0.172 nan 8.240 nan 0.000 0.531 1088 T N 4.227 118.790 114.554 0.014 0.000 2.753 1088 T HA 0.390 4.737 4.350 -0.006 0.000 0.297 1088 T C -0.258 174.436 174.700 -0.011 0.000 0.981 1088 T CA -0.577 61.524 62.100 0.002 0.000 0.956 1088 T CB 0.219 69.080 68.868 -0.013 0.000 0.936 1088 T HN 0.335 nan 8.240 nan 0.000 0.463 1089 L N 5.938 127.168 121.223 0.010 0.000 2.292 1089 L HA 0.666 5.002 4.340 -0.006 0.000 0.284 1089 L C -0.878 175.976 176.870 -0.027 0.000 1.065 1089 L CA -0.239 54.605 54.840 0.007 0.000 0.806 1089 L CB 0.888 42.986 42.059 0.066 0.000 1.175 1089 L HN 0.366 nan 8.230 nan 0.000 0.431 1090 V N 5.196 125.072 119.914 -0.063 0.000 2.407 1090 V HA 0.837 4.954 4.120 -0.006 0.000 0.291 1090 V C -0.186 175.863 176.094 -0.076 0.000 1.018 1090 V CA 0.197 62.440 62.300 -0.095 0.000 0.842 1090 V CB 0.868 32.602 31.823 -0.148 0.000 0.996 1090 V HN 1.028 nan 8.190 nan 0.000 0.426 1091 S N 4.174 119.828 115.700 -0.076 0.000 2.636 1091 S HA 0.715 5.182 4.470 -0.006 0.000 0.268 1091 S C -0.947 173.567 174.600 -0.144 0.000 1.159 1091 S CA -0.774 57.406 58.200 -0.034 0.000 0.815 1091 S CB 1.034 64.268 63.200 0.058 0.000 1.130 1091 S HN 0.204 nan 8.310 nan 0.000 0.471 1092 F N 1.247 121.204 119.950 0.011 0.000 2.563 1092 F HA 0.386 4.952 4.527 0.066 0.000 0.363 1092 F C 1.362 177.089 175.800 -0.122 0.000 1.123 1092 F CA -0.025 57.890 58.000 -0.142 0.000 1.307 1092 F CB 0.311 39.265 39.000 -0.077 0.000 1.115 1092 F HN 0.479 nan 8.300 nan 0.000 0.592 1093 I N -0.266 120.255 120.570 -0.082 0.000 4.079 1093 I HA 0.033 4.199 4.170 -0.006 0.000 0.276 1093 I C -0.480 175.675 176.117 0.063 0.000 1.146 1093 I CA -0.079 61.207 61.300 -0.023 0.000 1.324 1093 I CB -0.658 37.287 38.000 -0.091 0.000 1.638 1093 I HN 0.777 nan 8.210 nan 0.000 0.436 1094 W N 2.465 123.762 121.300 -0.005 0.000 5.447 1094 W HA -0.141 4.473 4.660 -0.076 0.000 0.421 1094 W C -1.682 174.714 176.519 -0.205 0.000 1.665 1094 W CA -0.205 57.104 57.345 -0.061 0.000 0.941 1094 W CB -1.949 27.495 29.460 -0.026 0.000 2.889 1094 W HN 0.147 nan 8.180 nan 0.000 1.320 1095 P HA -0.267 nan 4.420 nan 0.000 0.215 1095 P C 1.672 178.525 177.300 -0.746 0.000 1.157 1095 P CA 2.988 65.685 63.100 -0.673 0.000 0.863 1095 P CB -0.154 30.761 31.700 -1.308 0.000 0.787 1096 A N -0.014 122.444 122.820 -0.604 0.000 1.948 1096 A HA -0.241 4.076 4.320 -0.006 0.000 0.220 1096 A C 2.142 179.724 177.584 -0.003 0.000 1.177 1096 A CA 2.073 54.054 52.037 -0.093 0.000 0.636 1096 A CB -1.397 17.802 19.000 0.330 0.000 0.815 1096 A HN 0.201 nan 8.150 nan 0.000 0.449 1097 Q N -0.244 119.566 119.800 0.016 0.000 2.392 1097 Q HA 0.158 4.495 4.340 -0.006 0.000 0.203 1097 Q C -0.307 175.690 176.000 -0.005 0.000 0.917 1097 Q CA 0.366 56.181 55.803 0.020 0.000 0.939 1097 Q CB 0.367 29.112 28.738 0.012 0.000 1.063 1097 Q HN 0.626 nan 8.270 nan 0.000 0.516 1098 N N 0.450 119.126 118.700 -0.040 0.000 2.733 1098 N HA 0.136 4.873 4.740 -0.006 0.000 0.271 1098 N C -2.330 173.140 175.510 -0.067 0.000 1.720 1098 N CA -0.906 52.124 53.050 -0.034 0.000 0.803 1098 N CB 1.404 39.891 38.487 -0.001 0.000 1.208 1098 N HN 0.032 nan 8.380 nan 0.000 0.498 1099 P HA -0.134 nan 4.420 nan 0.000 0.216 1099 P C 0.751 178.045 177.300 -0.010 0.000 1.150 1099 P CA 1.472 64.557 63.100 -0.026 0.000 0.837 1099 P CB 0.620 32.330 31.700 0.018 0.000 0.786 1100 E N -0.020 120.176 120.200 -0.005 0.000 2.072 1100 E HA -0.057 4.289 4.350 -0.006 0.000 0.190 1100 E C 2.236 178.834 176.600 -0.003 0.000 0.982 1100 E CA 0.413 56.813 56.400 0.001 0.000 0.803 1100 E CB -1.100 28.601 29.700 0.002 0.000 0.755 1100 E HN 0.125 nan 8.360 nan 0.000 0.453 1101 L N 0.347 121.566 121.223 -0.007 0.000 2.012 1101 L HA -0.226 4.110 4.340 -0.006 0.000 0.210 1101 L C 2.047 178.911 176.870 -0.010 0.000 1.073 1101 L CA 1.349 56.186 54.840 -0.005 0.000 0.748 1101 L CB -0.179 41.881 42.059 0.002 0.000 0.891 1101 L HN 0.283 nan 8.230 nan 0.000 0.431 1102 M N -0.739 118.844 119.600 -0.027 0.000 2.080 1102 M HA -0.273 4.203 4.480 -0.006 0.000 0.260 1102 M C 2.170 178.475 176.300 0.008 0.000 1.068 1102 M CA 1.757 57.044 55.300 -0.022 0.000 1.109 1102 M CB -1.307 31.265 32.600 -0.047 0.000 1.342 1102 M HN 0.391 nan 8.290 nan 0.000 0.405 1103 Q N -0.057 119.750 119.800 0.012 0.000 2.084 1103 Q HA -0.193 4.143 4.340 -0.006 0.000 0.202 1103 Q C 2.129 178.137 176.000 0.012 0.000 0.978 1103 Q CA 1.492 57.306 55.803 0.019 0.000 0.844 1103 Q CB -0.194 28.556 28.738 0.019 0.000 0.898 1103 Q HN 0.487 nan 8.270 nan 0.000 0.426 1104 K N 0.519 120.922 120.400 0.004 0.000 2.057 1104 K HA -0.096 4.220 4.320 -0.006 0.000 0.207 1104 K C 2.048 178.647 176.600 -0.001 0.000 1.049 1104 K CA 0.936 57.222 56.287 -0.002 0.000 0.931 1104 K CB -0.063 32.432 32.500 -0.008 0.000 0.714 1104 K HN 0.105 nan 8.250 nan 0.000 0.440 1105 L N 0.041 121.267 121.223 0.005 0.000 2.141 1105 L HA -0.143 4.193 4.340 -0.006 0.000 0.209 1105 L C 2.429 179.311 176.870 0.019 0.000 1.094 1105 L CA 0.970 55.818 54.840 0.012 0.000 0.763 1105 L CB -0.486 41.584 42.059 0.019 0.000 0.908 1105 L HN 0.225 nan 8.230 nan 0.000 0.437 1106 A N 0.213 123.046 122.820 0.022 0.000 1.877 1106 A HA -0.231 4.086 4.320 -0.006 0.000 0.216 1106 A C 2.120 179.716 177.584 0.021 0.000 1.186 1106 A CA 1.683 53.738 52.037 0.029 0.000 0.620 1106 A CB -0.458 18.564 19.000 0.037 0.000 0.822 1106 A HN 0.441 nan 8.150 nan 0.000 0.443 1107 E N -0.582 119.626 120.200 0.014 0.000 2.209 1107 E HA -0.175 4.172 4.350 -0.006 0.000 0.196 1107 E C 1.947 178.549 176.600 0.004 0.000 0.993 1107 E CA 0.803 57.208 56.400 0.008 0.000 0.819 1107 E CB -0.086 29.615 29.700 0.003 0.000 0.745 1107 E HN 0.315 nan 8.360 nan 0.000 0.477 1108 R N 0.584 121.086 120.500 0.004 0.000 2.280 1108 R HA 0.000 4.337 4.340 -0.006 0.000 0.207 1108 R C 0.589 176.895 176.300 0.011 0.000 1.043 1108 R CA 0.226 56.328 56.100 0.002 0.000 1.006 1108 R CB -0.798 29.501 30.300 -0.001 0.000 0.885 1108 R HN 0.288 nan 8.270 nan 0.000 0.467 1109 N N 0.280 118.989 118.700 0.015 0.000 2.783 1109 N HA -0.151 4.586 4.740 -0.006 0.000 0.247 1109 N C -0.437 175.085 175.510 0.021 0.000 1.089 1109 N CA 0.596 53.656 53.050 0.016 0.000 0.690 1109 N CB -0.790 37.704 38.487 0.011 0.000 0.991 1109 N HN 0.084 nan 8.380 nan 0.000 0.552 1110 V N -2.760 117.170 119.914 0.027 0.000 3.193 1110 V HA 0.723 4.839 4.120 -0.006 0.000 0.320 1110 V C 0.796 176.910 176.094 0.034 0.000 1.112 1110 V CA -0.404 61.916 62.300 0.033 0.000 1.026 1110 V CB 1.822 33.671 31.823 0.044 0.000 1.128 1110 V HN 0.063 nan 8.190 nan 0.000 0.452 1111 T N 1.624 116.198 114.554 0.034 0.000 2.767 1111 T HA 0.638 4.985 4.350 -0.006 0.000 0.284 1111 T C -0.492 174.232 174.700 0.040 0.000 0.973 1111 T CA -0.193 61.931 62.100 0.040 0.000 0.996 1111 T CB 1.165 70.053 68.868 0.033 0.000 0.927 1111 T HN 0.675 nan 8.240 nan 0.000 0.456 1112 V N 5.241 125.183 119.914 0.047 0.000 2.448 1112 V HA 0.487 4.603 4.120 -0.006 0.000 0.295 1112 V C -0.250 175.859 176.094 0.024 0.000 1.025 1112 V CA -0.769 61.549 62.300 0.031 0.000 0.859 1112 V CB 1.602 33.442 31.823 0.028 0.000 0.988 1112 V HN 0.873 nan 8.190 nan 0.000 0.431 1113 M N 4.367 123.961 119.600 -0.009 0.000 2.072 1113 M HA 0.606 5.082 4.480 -0.006 0.000 0.331 1113 M C 0.054 176.304 176.300 -0.084 0.000 1.004 1113 M CA -0.337 54.943 55.300 -0.033 0.000 0.952 1113 M CB 1.707 34.282 32.600 -0.042 0.000 1.511 1113 M HN 0.710 nan 8.290 nan 0.000 0.422 1114 A N 4.350 127.114 122.820 -0.094 0.000 2.347 1114 A HA 0.381 4.697 4.320 -0.006 0.000 0.287 1114 A C 1.008 178.455 177.584 -0.228 0.000 1.199 1114 A CA -0.492 51.447 52.037 -0.165 0.000 0.851 1114 A CB 0.344 19.244 19.000 -0.166 0.000 1.118 1114 A HN 0.911 nan 8.150 nan 0.000 0.525 1115 M N 1.559 120.940 119.600 -0.364 0.000 2.394 1115 M HA -0.093 4.384 4.480 -0.006 0.000 0.264 1115 M C 1.361 177.470 176.300 -0.318 0.000 1.073 1115 M CA 1.214 56.251 55.300 -0.439 0.000 1.111 1115 M CB -0.961 31.195 32.600 -0.740 0.000 1.401 1115 M HN 0.895 nan 8.290 nan 0.000 0.448 1116 D N -1.495 118.716 120.400 -0.315 0.000 2.348 1116 D HA -0.056 4.580 4.640 -0.006 0.000 0.216 1116 D C 0.700 176.872 176.300 -0.215 0.000 0.970 1116 D CA 0.655 54.440 54.000 -0.358 0.000 0.889 1116 D CB -0.143 39.901 40.800 -1.262 0.000 0.912 1116 D HN 0.204 nan 8.370 nan 0.000 0.524 1117 S N 0.303 115.915 115.700 -0.147 0.000 2.575 1117 S HA 0.151 4.618 4.470 -0.006 0.000 0.237 1117 S C 0.436 175.021 174.600 -0.025 0.000 0.975 1117 S CA -0.500 57.678 58.200 -0.037 0.000 0.960 1117 S CB 0.803 64.008 63.200 0.009 0.000 0.822 1117 S HN 0.085 nan 8.310 nan 0.000 0.472 1118 V N 4.544 124.433 119.914 -0.041 0.000 2.485 1118 V HA 0.112 4.229 4.120 -0.006 0.000 0.287 1118 V C -2.151 173.940 176.094 -0.005 0.000 1.022 1118 V CA -1.491 60.791 62.300 -0.030 0.000 1.067 1118 V CB -0.037 31.767 31.823 -0.032 0.000 0.967 1118 V HN 0.202 nan 8.190 nan 0.000 0.479 1119 P HA 0.124 nan 4.420 nan 0.000 0.265 1119 P C -0.122 177.183 177.300 0.009 0.000 1.193 1119 P CA -0.031 63.069 63.100 -0.001 0.000 0.765 1119 P CB 0.294 31.984 31.700 -0.016 0.000 0.823 1120 R N 3.400 123.913 120.500 0.020 0.000 4.164 1120 R HA 0.226 4.562 4.340 -0.006 0.000 0.195 1120 R C 0.428 176.738 176.300 0.017 0.000 1.712 1120 R CA -0.092 56.023 56.100 0.026 0.000 1.457 1120 R CB -0.913 29.410 30.300 0.039 0.000 1.387 1120 R HN 0.545 nan 8.270 nan 0.000 0.785 1121 I N -3.523 117.052 120.570 0.009 0.000 2.910 1121 I HA 0.351 4.518 4.170 -0.006 0.000 0.310 1121 I C 1.520 177.640 176.117 0.006 0.000 1.043 1121 I CA -0.882 60.422 61.300 0.005 0.000 1.053 1121 I CB 1.954 39.953 38.000 -0.001 0.000 1.242 1121 I HN -0.018 nan 8.210 nan 0.000 0.452 1122 S N 3.060 118.762 115.700 0.004 0.000 2.370 1122 S HA -0.237 4.229 4.470 -0.006 0.000 0.226 1122 S C 1.934 176.535 174.600 0.003 0.000 1.033 1122 S CA 1.810 60.013 58.200 0.005 0.000 1.011 1122 S CB -0.472 62.730 63.200 0.003 0.000 0.852 1122 S HN 0.892 nan 8.310 nan 0.000 0.457 1123 R N 0.814 121.314 120.500 -0.000 0.000 2.237 1123 R HA 0.238 4.575 4.340 -0.006 0.000 0.219 1123 R C 1.939 178.236 176.300 -0.005 0.000 1.080 1123 R CA 1.116 57.215 56.100 -0.003 0.000 0.995 1123 R CB -0.576 29.721 30.300 -0.004 0.000 0.875 1123 R HN 0.425 nan 8.270 nan 0.000 0.462 1124 A N 0.565 123.382 122.820 -0.004 0.000 2.307 1124 A HA 0.108 4.425 4.320 -0.006 0.000 0.218 1124 A C 1.521 179.103 177.584 -0.003 0.000 1.228 1124 A CA -0.221 51.812 52.037 -0.008 0.000 0.857 1124 A CB 0.116 19.110 19.000 -0.010 0.000 0.897 1124 A HN 0.151 nan 8.150 nan 0.000 0.495 1125 Q N 0.519 120.321 119.800 0.003 0.000 2.119 1125 Q HA -0.137 4.200 4.340 -0.006 0.000 0.201 1125 Q C 2.387 178.392 176.000 0.008 0.000 0.972 1125 Q CA 1.896 57.705 55.803 0.011 0.000 0.847 1125 Q CB -0.513 28.233 28.738 0.013 0.000 0.903 1125 Q HN 0.792 nan 8.270 nan 0.000 0.433 1126 S N -0.596 115.104 115.700 -0.001 0.000 2.500 1126 S HA -0.097 4.369 4.470 -0.006 0.000 0.239 1126 S C 1.489 176.077 174.600 -0.020 0.000 0.989 1126 S CA 0.708 58.904 58.200 -0.007 0.000 0.951 1126 S CB -0.036 63.157 63.200 -0.011 0.000 0.759 1126 S HN 0.219 nan 8.310 nan 0.000 0.523 1127 L N 1.016 122.225 121.223 -0.023 0.000 2.664 1127 L HA 0.405 4.742 4.340 -0.006 0.000 0.233 1127 L C 0.543 177.396 176.870 -0.029 0.000 1.113 1127 L CA 0.183 54.996 54.840 -0.045 0.000 0.896 1127 L CB 0.068 42.095 42.059 -0.053 0.000 1.163 1127 L HN 0.194 nan 8.230 nan 0.000 0.497 1128 D N 0.744 121.148 120.400 0.008 0.000 2.383 1128 D HA 0.164 4.800 4.640 -0.006 0.000 0.245 1128 D C 1.220 177.575 176.300 0.092 0.000 1.263 1128 D CA 0.394 54.419 54.000 0.041 0.000 0.936 1128 D CB 1.430 42.259 40.800 0.049 0.000 1.053 1128 D HN 0.181 nan 8.370 nan 0.000 0.507 1129 A N 4.590 127.480 122.820 0.117 0.000 1.933 1129 A HA -0.138 4.179 4.320 -0.006 0.000 0.218 1129 A C 2.344 180.143 177.584 0.358 0.000 1.175 1129 A CA 0.754 52.959 52.037 0.279 0.000 0.628 1129 A CB -0.308 18.874 19.000 0.303 0.000 0.814 1129 A HN 0.696 nan 8.150 nan 0.000 0.444 1130 L N -0.603 120.803 121.223 0.305 0.000 2.046 1130 L HA -0.173 4.164 4.340 -0.006 0.000 0.208 1130 L C 2.814 179.794 176.870 0.182 0.000 1.077 1130 L CA 1.561 56.560 54.840 0.266 0.000 0.747 1130 L CB -0.524 41.676 42.059 0.236 0.000 0.896 1130 L HN 0.328 nan 8.230 nan 0.000 0.432 1131 S N -0.846 114.942 115.700 0.146 0.000 2.383 1131 S HA -0.139 4.328 4.470 -0.006 0.000 0.227 1131 S C 2.236 176.902 174.600 0.110 0.000 1.026 1131 S CA 1.266 59.532 58.200 0.110 0.000 0.981 1131 S CB -0.009 63.242 63.200 0.084 0.000 0.818 1131 S HN 0.313 nan 8.310 nan 0.000 0.472 1132 S N 1.461 117.240 115.700 0.131 0.000 2.359 1132 S HA -0.044 4.422 4.470 -0.006 0.000 0.224 1132 S C 1.951 176.628 174.600 0.129 0.000 1.035 1132 S CA 1.162 59.439 58.200 0.128 0.000 1.018 1132 S CB -0.267 63.032 63.200 0.165 0.000 0.876 1132 S HN 0.371 nan 8.310 nan 0.000 0.448 1133 M N 0.939 120.631 119.600 0.154 0.000 2.254 1133 M HA 0.076 4.552 4.480 -0.006 0.000 0.265 1133 M C 2.413 178.767 176.300 0.090 0.000 1.066 1133 M CA 1.074 56.443 55.300 0.115 0.000 1.123 1133 M CB -1.678 30.980 32.600 0.097 0.000 1.388 1133 M HN 0.353 nan 8.290 nan 0.000 0.425 1134 A N 0.722 123.600 122.820 0.097 0.000 1.898 1134 A HA -0.184 4.132 4.320 -0.006 0.000 0.216 1134 A C 2.119 179.753 177.584 0.083 0.000 1.181 1134 A CA 1.905 53.992 52.037 0.083 0.000 0.620 1134 A CB -1.062 17.989 19.000 0.086 0.000 0.819 1134 A HN 0.626 nan 8.150 nan 0.000 0.442 1135 N N -0.141 118.609 118.700 0.084 0.000 2.120 1135 N HA -0.124 4.613 4.740 -0.006 0.000 0.188 1135 N C 1.788 177.356 175.510 0.097 0.000 1.024 1135 N CA 1.499 54.598 53.050 0.081 0.000 0.852 1135 N CB -0.167 38.359 38.487 0.064 0.000 1.003 1135 N HN 0.520 nan 8.380 nan 0.000 0.424 1136 I N 1.315 121.939 120.570 0.089 0.000 2.202 1136 I HA -0.218 3.948 4.170 -0.006 0.000 0.242 1136 I C 2.597 178.804 176.117 0.151 0.000 1.091 1136 I CA 0.985 62.348 61.300 0.106 0.000 1.368 1136 I CB -0.338 37.709 38.000 0.078 0.000 1.058 1136 I HN 0.148 nan 8.210 nan 0.000 0.410 1137 A N 0.887 123.772 122.820 0.107 0.000 1.892 1137 A HA -0.221 4.096 4.320 -0.006 0.000 0.218 1137 A C 2.423 180.064 177.584 0.093 0.000 1.188 1137 A CA 2.241 54.332 52.037 0.090 0.000 0.631 1137 A CB -1.580 17.458 19.000 0.064 0.000 0.822 1137 A HN 0.484 nan 8.150 nan 0.000 0.447 1138 G N -2.089 106.772 108.800 0.101 0.000 2.408 1138 G HA2 -0.232 3.724 3.960 -0.006 0.000 0.217 1138 G HA3 -0.232 3.724 3.960 -0.006 0.000 0.217 1138 G C 1.557 176.517 174.900 0.101 0.000 1.150 1138 G CA 1.257 46.411 45.100 0.089 0.000 0.776 1138 G HN 0.662 nan 8.290 nan 0.000 0.542 1139 Y N 1.322 121.633 120.300 0.019 0.000 2.163 1139 Y HA -0.033 4.506 4.550 -0.019 0.000 0.288 1139 Y C 2.869 178.769 175.900 0.000 0.000 1.136 1139 Y CA 1.917 60.021 58.100 0.007 0.000 1.147 1139 Y CB -0.093 38.372 38.460 0.008 0.000 0.987 1139 Y HN 0.136 nan 8.280 nan 0.000 0.509 1140 R N 1.128 121.692 120.500 0.107 0.000 2.115 1140 R HA -0.051 4.285 4.340 -0.006 0.000 0.230 1140 R C 2.238 178.496 176.300 -0.069 0.000 1.111 1140 R CA 1.381 57.483 56.100 0.004 0.000 0.976 1140 R CB -1.038 29.333 30.300 0.119 0.000 0.870 1140 R HN 0.464 nan 8.270 nan 0.000 0.445 1141 A N 0.639 123.443 122.820 -0.025 0.000 1.908 1141 A HA -0.119 4.198 4.320 -0.006 0.000 0.218 1141 A C 1.955 179.505 177.584 -0.057 0.000 1.181 1141 A CA 1.507 53.537 52.037 -0.012 0.000 0.627 1141 A CB -0.466 18.541 19.000 0.012 0.000 0.818 1141 A HN 0.281 nan 8.150 nan 0.000 0.445 1142 I N -0.266 120.222 120.570 -0.137 0.000 2.439 1142 I HA -0.118 4.048 4.170 -0.006 0.000 0.251 1142 I C 2.408 178.351 176.117 -0.290 0.000 1.139 1142 I CA 0.888 62.072 61.300 -0.194 0.000 1.438 1142 I CB -1.128 36.733 38.000 -0.232 0.000 1.085 1142 I HN 0.126 nan 8.210 nan 0.000 0.427 1143 V N 0.856 120.570 119.914 -0.333 0.000 2.358 1143 V HA -0.195 3.922 4.120 -0.006 0.000 0.246 1143 V C 2.540 178.591 176.094 -0.072 0.000 1.047 1143 V CA 1.459 63.604 62.300 -0.258 0.000 1.035 1143 V CB -0.493 31.155 31.823 -0.291 0.000 0.658 1143 V HN 0.352 nan 8.190 nan 0.000 0.452 1144 E N 0.445 120.628 120.200 -0.028 0.000 2.077 1144 E HA -0.172 4.175 4.350 -0.006 0.000 0.193 1144 E C 2.367 179.039 176.600 0.120 0.000 0.989 1144 E CA 1.508 57.953 56.400 0.075 0.000 0.800 1144 E CB -0.473 29.287 29.700 0.100 0.000 0.746 1144 E HN 0.573 nan 8.360 nan 0.000 0.452 1145 A N 1.536 124.399 122.820 0.073 0.000 1.898 1145 A HA -0.046 4.270 4.320 -0.006 0.000 0.216 1145 A C 2.425 180.153 177.584 0.239 0.000 1.181 1145 A CA 1.948 54.062 52.037 0.129 0.000 0.620 1145 A CB -0.538 18.538 19.000 0.127 0.000 0.819 1145 A HN 0.262 nan 8.150 nan 0.000 0.442 1146 A N -1.519 121.372 122.820 0.118 0.000 1.933 1146 A HA -0.200 4.117 4.320 -0.006 0.000 0.218 1146 A C 2.106 179.823 177.584 0.221 0.000 1.175 1146 A CA 1.625 53.761 52.037 0.165 0.000 0.628 1146 A CB -0.933 17.950 19.000 -0.194 0.000 0.814 1146 A HN 0.737 nan 8.150 nan 0.000 0.444 1147 H N -0.653 118.468 119.070 0.086 0.000 2.353 1147 H HA -0.082 4.473 4.556 -0.003 0.000 0.300 1147 H C 1.551 176.950 175.328 0.118 0.000 1.090 1147 H CA 1.730 57.830 56.048 0.086 0.000 1.327 1147 H CB 0.217 30.015 29.762 0.061 0.000 1.383 1147 H HN 0.394 nan 8.280 nan 0.000 0.508 1148 E N -0.014 120.305 120.200 0.199 0.000 2.318 1148 E HA -0.046 4.301 4.350 -0.006 0.000 0.193 1148 E C 0.142 176.856 176.600 0.190 0.000 0.998 1148 E CA -0.185 56.305 56.400 0.150 0.000 0.859 1148 E CB -0.280 29.513 29.700 0.155 0.000 0.812 1148 E HN 0.154 nan 8.360 nan 0.000 0.492 1149 F N 1.000 120.988 119.950 0.063 0.000 2.484 1149 F HA 0.290 4.814 4.527 -0.003 0.000 0.360 1149 F C 1.532 177.341 175.800 0.014 0.000 1.101 1149 F CA -0.221 57.814 58.000 0.059 0.000 1.251 1149 F CB 1.268 40.369 39.000 0.168 0.000 1.132 1149 F HN -0.108 nan 8.300 nan 0.000 0.570 1150 G N 5.480 114.064 108.800 -0.359 0.000 3.042 1150 G HA2 0.118 4.075 3.960 -0.006 0.000 0.212 1150 G HA3 0.118 4.075 3.960 -0.006 0.000 0.212 1150 G C 0.483 175.047 174.900 -0.560 0.000 1.166 1150 G CA -0.256 44.620 45.100 -0.373 0.000 0.767 1150 G HN 0.503 nan 8.290 nan 0.000 0.546 1151 R N -0.951 118.942 120.500 -1.011 0.000 2.892 1151 R HA 0.485 4.822 4.340 -0.006 0.000 0.265 1151 R C -0.920 175.232 176.300 -0.246 0.000 1.025 1151 R CA -0.996 54.658 56.100 -0.744 0.000 0.982 1151 R CB 1.200 30.994 30.300 -0.843 0.000 1.185 1151 R HN 0.007 nan 8.270 nan 0.000 0.484 1152 F N 1.322 121.234 119.950 -0.062 0.000 2.629 1152 F HA -0.044 4.478 4.527 -0.007 0.000 0.377 1152 F C 1.398 177.368 175.800 0.283 0.000 1.101 1152 F CA -0.068 58.001 58.000 0.116 0.000 1.301 1152 F CB -0.074 38.969 39.000 0.072 0.000 1.062 1152 F HN 0.500 nan 8.300 nan 0.000 0.583 1153 F N 0.782 120.969 119.950 0.396 0.000 2.206 1153 F HA -0.067 4.457 4.527 -0.005 0.000 0.298 1153 F C 1.528 177.435 175.800 0.179 0.000 1.090 1153 F CA 1.064 59.234 58.000 0.283 0.000 1.323 1153 F CB -0.196 38.905 39.000 0.168 0.000 1.028 1153 F HN 0.195 nan 8.300 nan 0.000 0.492 1154 T N 0.823 115.560 114.554 0.305 0.000 2.728 1154 T HA 0.418 4.764 4.350 -0.006 0.000 0.296 1154 T C 0.555 175.297 174.700 0.070 0.000 0.940 1154 T CA -0.382 61.791 62.100 0.122 0.000 1.013 1154 T CB 0.679 69.544 68.868 -0.006 0.000 0.912 1154 T HN 0.268 nan 8.240 nan 0.000 0.484 1155 G N 3.425 112.273 108.800 0.080 0.000 2.353 1155 G HA2 0.412 4.368 3.960 -0.006 0.000 0.239 1155 G HA3 0.412 4.368 3.960 -0.006 0.000 0.239 1155 G C -0.265 174.646 174.900 0.018 0.000 1.295 1155 G CA -0.282 44.858 45.100 0.068 0.000 0.884 1155 G HN 0.806 nan 8.290 nan 0.000 0.537 1156 Q N 0.482 120.302 119.800 0.034 0.000 2.702 1156 Q HA 0.435 4.772 4.340 -0.006 0.000 0.289 1156 Q C -1.655 174.367 176.000 0.037 0.000 0.923 1156 Q CA -1.048 54.755 55.803 0.001 0.000 0.787 1156 Q CB 1.592 30.278 28.738 -0.087 0.000 1.476 1156 Q HN 0.494 nan 8.270 nan 0.000 0.402 1157 I N 2.322 122.905 120.570 0.022 0.000 2.330 1157 I HA 0.418 4.584 4.170 -0.006 0.000 0.289 1157 I C -0.486 175.651 176.117 0.035 0.000 1.001 1157 I CA -0.148 61.171 61.300 0.032 0.000 1.193 1157 I CB 1.447 39.459 38.000 0.021 0.000 1.345 1157 I HN 0.877 nan 8.210 nan 0.000 0.461 1158 T N 3.114 117.700 114.554 0.054 0.000 2.938 1158 T HA 0.570 4.916 4.350 -0.006 0.000 0.285 1158 T C 1.057 175.781 174.700 0.040 0.000 1.028 1158 T CA -0.121 62.013 62.100 0.057 0.000 1.005 1158 T CB 1.764 70.692 68.868 0.100 0.000 1.157 1158 T HN 0.556 nan 8.240 nan 0.000 0.550 1159 A N 0.361 123.201 122.820 0.034 0.000 2.015 1159 A HA 0.364 4.681 4.320 -0.006 0.000 0.219 1159 A C 2.148 179.745 177.584 0.022 0.000 1.163 1159 A CA 1.271 53.322 52.037 0.024 0.000 0.646 1159 A CB -1.192 17.820 19.000 0.020 0.000 0.806 1159 A HN 1.310 nan 8.150 nan 0.000 0.448 1160 A N -0.860 121.977 122.820 0.027 0.000 2.532 1160 A HA 0.525 4.841 4.320 -0.006 0.000 0.273 1160 A C 0.988 178.585 177.584 0.022 0.000 1.342 1160 A CA 0.747 52.795 52.037 0.019 0.000 0.929 1160 A CB -1.248 17.761 19.000 0.014 0.000 1.051 1160 A HN 1.994 nan 8.150 nan 0.000 0.521 1161 G N -0.464 108.353 108.800 0.028 0.000 2.479 1161 G HA2 -0.010 3.946 3.960 -0.006 0.000 0.686 1161 G HA3 -0.010 3.946 3.960 -0.006 0.000 0.686 1161 G C -0.542 174.384 174.900 0.043 0.000 1.295 1161 G CA -0.460 44.657 45.100 0.028 0.000 0.922 1161 G HN 0.545 nan 8.290 nan 0.000 0.582 1162 K N -0.054 120.369 120.400 0.038 0.000 2.276 1162 K HA 0.584 4.900 4.320 -0.006 0.000 0.285 1162 K C 0.106 176.742 176.600 0.059 0.000 1.062 1162 K CA -0.648 55.667 56.287 0.047 0.000 0.918 1162 K CB 0.972 33.492 32.500 0.033 0.000 1.055 1162 K HN 0.500 nan 8.250 nan 0.000 0.477 1163 V N 7.442 127.412 119.914 0.094 0.000 2.407 1163 V HA 0.318 4.435 4.120 -0.006 0.000 0.278 1163 V C -1.880 174.275 176.094 0.102 0.000 1.037 1163 V CA -1.809 60.562 62.300 0.119 0.000 0.900 1163 V CB 1.006 32.983 31.823 0.256 0.000 0.983 1163 V HN 0.873 nan 8.190 nan 0.000 0.459 1164 P HA 0.330 nan 4.420 nan 0.000 0.276 1164 P C -2.749 174.603 177.300 0.087 0.000 1.244 1164 P CA -1.829 61.311 63.100 0.066 0.000 0.801 1164 P CB 0.229 31.955 31.700 0.044 0.000 1.006 1165 P HA 0.118 nan 4.420 nan 0.000 0.271 1165 P C -0.255 177.067 177.300 0.038 0.000 1.218 1165 P CA -0.095 63.047 63.100 0.071 0.000 0.780 1165 P CB 0.253 31.985 31.700 0.054 0.000 0.901 1166 A N 3.384 126.205 122.820 0.001 0.000 2.483 1166 A HA 0.149 4.465 4.320 -0.006 0.000 0.238 1166 A C 0.255 177.744 177.584 -0.159 0.000 1.070 1166 A CA 0.128 52.083 52.037 -0.137 0.000 0.770 1166 A CB -0.311 18.378 19.000 -0.518 0.000 1.008 1166 A HN 0.474 nan 8.150 nan 0.000 0.497 1167 K N 0.909 121.214 120.400 -0.158 0.000 2.206 1167 K HA 0.563 4.879 4.320 -0.006 0.000 0.264 1167 K C -1.375 175.125 176.600 -0.166 0.000 0.967 1167 K CA -0.441 55.778 56.287 -0.113 0.000 0.844 1167 K CB 1.988 34.452 32.500 -0.061 0.000 1.099 1167 K HN 0.385 nan 8.250 nan 0.000 0.441 1168 V N 4.173 124.020 119.914 -0.112 0.000 2.487 1168 V HA 0.386 4.502 4.120 -0.006 0.000 0.298 1168 V C -0.533 175.539 176.094 -0.037 0.000 1.028 1168 V CA -0.827 61.416 62.300 -0.095 0.000 0.860 1168 V CB 1.637 33.437 31.823 -0.039 0.000 0.991 1168 V HN 0.801 nan 8.190 nan 0.000 0.427 1169 M N 5.415 124.989 119.600 -0.043 0.000 2.268 1169 M HA 0.693 5.170 4.480 -0.006 0.000 0.344 1169 M C -1.633 174.653 176.300 -0.023 0.000 1.106 1169 M CA -0.466 54.822 55.300 -0.020 0.000 1.010 1169 M CB 1.640 34.220 32.600 -0.033 0.000 1.649 1169 M HN 0.462 nan 8.290 nan 0.000 0.443 1170 V N 6.763 126.683 119.914 0.010 0.000 2.409 1170 V HA 0.448 4.565 4.120 -0.006 0.000 0.291 1170 V C -0.271 175.837 176.094 0.025 0.000 1.020 1170 V CA -0.586 61.721 62.300 0.012 0.000 0.848 1170 V CB 1.601 33.450 31.823 0.042 0.000 0.990 1170 V HN 0.775 nan 8.190 nan 0.000 0.430 1171 I N 4.588 125.144 120.570 -0.023 0.000 2.312 1171 I HA 0.685 4.852 4.170 -0.006 0.000 0.290 1171 I C 0.758 176.899 176.117 0.041 0.000 1.008 1171 I CA -0.069 61.232 61.300 0.002 0.000 1.226 1171 I CB 1.213 39.091 38.000 -0.204 0.000 1.371 1171 I HN 0.878 nan 8.210 nan 0.000 0.468 1172 G N 4.601 113.445 108.800 0.074 0.000 3.338 1172 G HA2 0.083 4.040 3.960 -0.006 0.000 0.686 1172 G HA3 0.083 4.040 3.960 -0.006 0.000 0.686 1172 G C -0.306 174.625 174.900 0.052 0.000 1.053 1172 G CA -0.300 44.830 45.100 0.049 0.000 0.852 1172 G HN 0.963 nan 8.290 nan 0.000 0.545 1173 A N 2.024 124.877 122.820 0.054 0.000 2.793 1173 A HA 0.797 5.114 4.320 -0.006 0.000 0.301 1173 A C 1.407 179.024 177.584 0.055 0.000 1.172 1173 A CA 1.094 53.174 52.037 0.070 0.000 0.973 1173 A CB -0.145 18.921 19.000 0.110 0.000 1.164 1173 A HN 2.161 nan 8.150 nan 0.000 0.542 1174 G N -0.862 107.967 108.800 0.049 0.000 2.486 1174 G HA2 0.319 4.276 3.960 -0.006 0.000 0.272 1174 G HA3 0.319 4.276 3.960 -0.006 0.000 0.272 1174 G C 1.145 176.077 174.900 0.052 0.000 1.426 1174 G CA 0.357 45.486 45.100 0.048 0.000 1.058 1174 G HN 0.186 nan 8.290 nan 0.000 0.531 1175 V N 0.840 120.787 119.914 0.056 0.000 2.332 1175 V HA -0.192 3.924 4.120 -0.006 0.000 0.248 1175 V C 3.288 179.420 176.094 0.063 0.000 1.055 1175 V CA 2.618 64.954 62.300 0.059 0.000 1.038 1175 V CB -1.069 30.792 31.823 0.065 0.000 0.651 1175 V HN 0.776 nan 8.190 nan 0.000 0.450 1176 A N 0.396 123.254 122.820 0.063 0.000 1.855 1176 A HA -0.071 4.246 4.320 -0.006 0.000 0.215 1176 A C 2.462 180.082 177.584 0.061 0.000 1.191 1176 A CA 1.922 53.997 52.037 0.064 0.000 0.613 1176 A CB -1.391 17.643 19.000 0.056 0.000 0.829 1176 A HN 0.518 nan 8.150 nan 0.000 0.442 1177 G N 0.031 108.864 108.800 0.055 0.000 2.491 1177 G HA2 -0.259 3.698 3.960 -0.006 0.000 0.218 1177 G HA3 -0.259 3.698 3.960 -0.006 0.000 0.218 1177 G C 1.560 176.498 174.900 0.063 0.000 1.180 1177 G CA 1.233 46.366 45.100 0.056 0.000 0.774 1177 G HN 0.438 nan 8.290 nan 0.000 0.562 1178 L N 0.606 121.868 121.223 0.064 0.000 2.083 1178 L HA -0.050 4.286 4.340 -0.006 0.000 0.209 1178 L C 3.405 180.317 176.870 0.069 0.000 1.083 1178 L CA 0.934 55.812 54.840 0.064 0.000 0.752 1178 L CB -0.378 41.714 42.059 0.055 0.000 0.899 1178 L HN 0.329 nan 8.230 nan 0.000 0.433 1179 A N 0.014 122.879 122.820 0.075 0.000 1.898 1179 A HA -0.131 4.186 4.320 -0.006 0.000 0.216 1179 A C 2.550 180.192 177.584 0.097 0.000 1.181 1179 A CA 1.600 53.694 52.037 0.095 0.000 0.620 1179 A CB -0.639 18.427 19.000 0.110 0.000 0.819 1179 A HN 0.383 nan 8.150 nan 0.000 0.442 1180 A N 0.052 122.918 122.820 0.076 0.000 1.877 1180 A HA -0.100 4.216 4.320 -0.006 0.000 0.216 1180 A C 2.096 179.718 177.584 0.063 0.000 1.186 1180 A CA 1.564 53.635 52.037 0.057 0.000 0.620 1180 A CB -0.667 18.361 19.000 0.046 0.000 0.822 1180 A HN 0.479 nan 8.150 nan 0.000 0.443 1181 I N -0.097 120.514 120.570 0.069 0.000 2.151 1181 I HA -0.260 3.906 4.170 -0.006 0.000 0.243 1181 I C 2.704 178.865 176.117 0.074 0.000 1.080 1181 I CA 1.337 62.681 61.300 0.074 0.000 1.339 1181 I CB -0.614 37.432 38.000 0.077 0.000 1.039 1181 I HN 0.396 nan 8.210 nan 0.000 0.409 1182 G N 0.231 109.076 108.800 0.074 0.000 2.459 1182 G HA2 -0.266 3.691 3.960 -0.006 0.000 0.217 1182 G HA3 -0.266 3.691 3.960 -0.006 0.000 0.217 1182 G C 1.847 176.794 174.900 0.079 0.000 1.183 1182 G CA 0.882 46.027 45.100 0.076 0.000 0.776 1182 G HN 0.508 nan 8.290 nan 0.000 0.552 1183 A N 1.036 123.905 122.820 0.082 0.000 1.933 1183 A HA 0.261 4.578 4.320 -0.006 0.000 0.218 1183 A C 2.801 180.388 177.584 0.006 0.000 1.175 1183 A CA 2.330 54.392 52.037 0.041 0.000 0.628 1183 A CB -0.738 18.244 19.000 -0.031 0.000 0.814 1183 A HN 0.815 nan 8.150 nan 0.000 0.444 1184 A N -0.015 122.836 122.820 0.051 0.000 1.898 1184 A HA -0.188 4.129 4.320 -0.006 0.000 0.216 1184 A C 2.081 179.750 177.584 0.141 0.000 1.181 1184 A CA 1.633 53.753 52.037 0.139 0.000 0.620 1184 A CB -0.654 18.452 19.000 0.177 0.000 0.819 1184 A HN 0.646 nan 8.150 nan 0.000 0.442 1185 N N 0.367 119.126 118.700 0.098 0.000 2.188 1185 N HA -0.161 4.576 4.740 -0.006 0.000 0.184 1185 N C 2.013 177.568 175.510 0.074 0.000 1.018 1185 N CA 1.835 54.936 53.050 0.086 0.000 0.858 1185 N CB -0.087 38.442 38.487 0.070 0.000 0.989 1185 N HN 0.534 nan 8.380 nan 0.000 0.426 1186 S N 0.738 116.476 115.700 0.063 0.000 2.382 1186 S HA -0.074 4.392 4.470 -0.006 0.000 0.228 1186 S C 2.030 176.657 174.600 0.045 0.000 1.027 1186 S CA 0.620 58.850 58.200 0.049 0.000 0.991 1186 S CB -0.587 62.643 63.200 0.050 0.000 0.823 1186 S HN 0.340 nan 8.310 nan 0.000 0.469 1187 L N 1.139 122.393 121.223 0.051 0.000 2.610 1187 L HA 0.252 4.589 4.340 -0.006 0.000 0.232 1187 L C 1.793 178.749 176.870 0.144 0.000 1.149 1187 L CA 0.415 55.297 54.840 0.070 0.000 0.872 1187 L CB -0.588 41.472 42.059 0.002 0.000 0.992 1187 L HN 0.674 nan 8.230 nan 0.000 0.447 1188 G N -0.193 108.680 108.800 0.121 0.000 2.136 1188 G HA2 -0.257 3.699 3.960 -0.006 0.000 0.242 1188 G HA3 -0.257 3.699 3.960 -0.006 0.000 0.242 1188 G C 0.368 175.338 174.900 0.117 0.000 0.989 1188 G CA 0.025 45.186 45.100 0.101 0.000 0.682 1188 G HN 0.494 nan 8.290 nan 0.000 0.522 1189 A N -0.365 122.550 122.820 0.160 0.000 2.386 1189 A HA 0.691 5.008 4.320 -0.006 0.000 0.248 1189 A C 0.695 178.316 177.584 0.062 0.000 1.082 1189 A CA -0.140 51.959 52.037 0.103 0.000 0.789 1189 A CB 0.360 19.430 19.000 0.118 0.000 1.025 1189 A HN 0.814 nan 8.150 nan 0.000 0.490 1190 I N 2.095 122.682 120.570 0.028 0.000 2.421 1190 I HA 0.142 4.308 4.170 -0.006 0.000 0.291 1190 I C -0.482 175.648 176.117 0.022 0.000 1.089 1190 I CA 0.162 61.478 61.300 0.026 0.000 1.354 1190 I CB 0.542 38.550 38.000 0.015 0.000 1.413 1190 I HN 0.255 nan 8.210 nan 0.000 0.513 1191 V N 7.597 127.536 119.914 0.042 0.000 2.483 1191 V HA 0.533 4.650 4.120 -0.006 0.000 0.295 1191 V C 0.069 176.196 176.094 0.056 0.000 1.035 1191 V CA -0.721 61.608 62.300 0.048 0.000 0.896 1191 V CB 1.718 33.581 31.823 0.067 0.000 0.986 1191 V HN 0.665 nan 8.190 nan 0.000 0.447 1192 R N 2.428 122.959 120.500 0.053 0.000 2.686 1192 R HA 0.862 5.199 4.340 -0.006 0.000 0.283 1192 R C -0.971 175.378 176.300 0.081 0.000 0.978 1192 R CA -0.544 55.597 56.100 0.068 0.000 0.897 1192 R CB 2.411 32.740 30.300 0.047 0.000 1.192 1192 R HN 0.839 nan 8.270 nan 0.000 0.457 1193 A N 2.439 125.327 122.820 0.113 0.000 2.449 1193 A HA 0.701 5.017 4.320 -0.006 0.000 0.302 1193 A C -1.755 175.903 177.584 0.124 0.000 1.048 1193 A CA -0.571 51.545 52.037 0.131 0.000 0.708 1193 A CB 1.285 20.382 19.000 0.161 0.000 1.274 1193 A HN 0.614 nan 8.150 nan 0.000 0.410 1194 F N 1.892 121.834 119.950 -0.013 0.000 2.495 1194 F HA 0.696 5.219 4.527 -0.006 0.000 0.327 1194 F C -0.762 175.066 175.800 0.046 0.000 1.103 1194 F CA -0.629 57.330 58.000 -0.069 0.000 0.949 1194 F CB 1.627 40.691 39.000 0.107 0.000 1.142 1194 F HN 0.598 nan 8.300 nan 0.000 0.457 1195 D N 2.982 122.759 120.400 -1.037 0.000 2.947 1195 D HA 0.112 4.749 4.640 -0.006 0.000 0.224 1195 D C 0.385 176.205 176.300 -0.799 0.000 1.230 1195 D CA -0.078 53.524 54.000 -0.664 0.000 0.871 1195 D CB 2.532 43.303 40.800 -0.048 0.000 1.671 1195 D HN 0.698 nan 8.370 nan 0.000 0.507 1196 T N 0.597 114.880 114.554 -0.452 0.000 3.007 1196 T HA 0.018 4.365 4.350 -0.006 0.000 0.270 1196 T C 0.894 175.605 174.700 0.018 0.000 1.107 1196 T CA 0.482 62.537 62.100 -0.074 0.000 1.118 1196 T CB 0.026 68.933 68.868 0.064 0.000 0.889 1196 T HN 0.220 nan 8.240 nan 0.000 0.506 1197 R N 2.148 122.656 120.500 0.014 0.000 2.196 1197 R HA 0.305 4.642 4.340 -0.006 0.000 0.340 1197 R C -2.083 174.288 176.300 0.119 0.000 1.043 1197 R CA -2.000 54.131 56.100 0.051 0.000 0.883 1197 R CB 0.831 31.145 30.300 0.024 0.000 1.078 1197 R HN 0.153 nan 8.270 nan 0.000 0.462 1198 P HA -0.135 nan 4.420 nan 0.000 0.222 1198 P C 0.136 177.405 177.300 -0.051 0.000 1.147 1198 P CA 0.954 64.121 63.100 0.113 0.000 0.790 1198 P CB 0.368 32.132 31.700 0.107 0.000 0.780 1199 E N -0.303 119.874 120.200 -0.039 0.000 2.153 1199 E HA -0.134 4.213 4.350 -0.006 0.000 0.194 1199 E C 1.782 178.300 176.600 -0.137 0.000 0.988 1199 E CA 1.316 57.673 56.400 -0.071 0.000 0.811 1199 E CB -1.010 28.670 29.700 -0.033 0.000 0.746 1199 E HN 0.248 nan 8.360 nan 0.000 0.466 1200 V N -0.652 119.164 119.914 -0.165 0.000 3.573 1200 V HA 0.012 4.129 4.120 -0.006 0.000 0.270 1200 V C 1.994 177.832 176.094 -0.426 0.000 1.221 1200 V CA 1.041 63.226 62.300 -0.192 0.000 1.163 1200 V CB -0.356 31.428 31.823 -0.065 0.000 0.847 1200 V HN 0.089 nan 8.190 nan 0.000 0.468 1201 K N 1.277 121.193 120.400 -0.806 0.000 2.034 1201 K HA -0.288 4.028 4.320 -0.006 0.000 0.214 1201 K C 1.992 178.301 176.600 -0.487 0.000 1.051 1201 K CA 2.692 58.264 56.287 -1.192 0.000 0.931 1201 K CB -0.209 31.720 32.500 -0.952 0.000 0.715 1201 K HN 0.561 nan 8.250 nan 0.000 0.446 1202 E N 0.200 120.229 120.200 -0.285 0.000 2.208 1202 E HA -0.151 4.195 4.350 -0.006 0.000 0.193 1202 E C 2.032 178.574 176.600 -0.097 0.000 0.988 1202 E CA 1.025 57.339 56.400 -0.144 0.000 0.828 1202 E CB 0.021 29.661 29.700 -0.101 0.000 0.763 1202 E HN 0.403 nan 8.360 nan 0.000 0.478 1203 Q N 0.136 119.873 119.800 -0.105 0.000 2.016 1203 Q HA -0.127 4.210 4.340 -0.006 0.000 0.200 1203 Q C 2.113 178.097 176.000 -0.027 0.000 0.978 1203 Q CA 1.364 57.135 55.803 -0.053 0.000 0.833 1203 Q CB 0.061 28.771 28.738 -0.046 0.000 0.895 1203 Q HN 0.159 nan 8.270 nan 0.000 0.427 1204 V N 1.134 121.026 119.914 -0.036 0.000 2.282 1204 V HA -0.343 3.773 4.120 -0.006 0.000 0.249 1204 V C 2.224 178.346 176.094 0.048 0.000 1.057 1204 V CA 2.227 64.551 62.300 0.041 0.000 1.032 1204 V CB -0.596 31.305 31.823 0.130 0.000 0.645 1204 V HN 0.463 nan 8.190 nan 0.000 0.447 1205 Q N 0.042 119.850 119.800 0.013 0.000 2.167 1205 Q HA -0.150 4.186 4.340 -0.006 0.000 0.202 1205 Q C 2.454 178.468 176.000 0.024 0.000 0.970 1205 Q CA 1.765 57.587 55.803 0.031 0.000 0.855 1205 Q CB -0.257 28.489 28.738 0.013 0.000 0.911 1205 Q HN 0.841 nan 8.270 nan 0.000 0.438 1206 S N 0.365 116.070 115.700 0.009 0.000 2.423 1206 S HA -0.083 4.383 4.470 -0.006 0.000 0.231 1206 S C 1.890 176.504 174.600 0.023 0.000 1.014 1206 S CA 0.829 59.036 58.200 0.012 0.000 0.965 1206 S CB -0.199 63.003 63.200 0.003 0.000 0.785 1206 S HN 0.285 nan 8.310 nan 0.000 0.495 1207 M N 0.753 120.372 119.600 0.031 0.000 2.562 1207 M HA 0.204 4.681 4.480 -0.006 0.000 0.257 1207 M C 1.723 178.051 176.300 0.048 0.000 1.099 1207 M CA 0.891 56.215 55.300 0.041 0.000 1.099 1207 M CB -0.355 32.273 32.600 0.048 0.000 1.427 1207 M HN 0.671 nan 8.290 nan 0.000 0.489 1208 G N 0.513 109.342 108.800 0.049 0.000 2.168 1208 G HA2 -0.090 3.866 3.960 -0.006 0.000 0.197 1208 G HA3 -0.090 3.866 3.960 -0.006 0.000 0.197 1208 G C 0.034 174.971 174.900 0.062 0.000 0.997 1208 G CA -0.095 45.035 45.100 0.051 0.000 0.658 1208 G HN 0.661 nan 8.290 nan 0.000 0.513 1209 A N -0.007 122.858 122.820 0.075 0.000 2.295 1209 A HA 0.751 5.067 4.320 -0.006 0.000 0.318 1209 A C 0.273 177.927 177.584 0.115 0.000 1.134 1209 A CA -0.020 52.072 52.037 0.092 0.000 0.827 1209 A CB 0.833 19.896 19.000 0.105 0.000 1.136 1209 A HN 0.456 nan 8.150 nan 0.000 0.493 1210 E N 1.053 121.321 120.200 0.113 0.000 2.290 1210 E HA 0.221 4.568 4.350 -0.006 0.000 0.277 1210 E C -1.400 175.320 176.600 0.200 0.000 1.035 1210 E CA -0.198 56.283 56.400 0.135 0.000 0.873 1210 E CB 0.358 30.112 29.700 0.091 0.000 1.029 1210 E HN 0.446 nan 8.360 nan 0.000 0.419 1211 F N 5.953 125.940 119.950 0.063 0.000 2.421 1211 F HA 0.241 4.763 4.527 -0.009 0.000 0.358 1211 F C -0.600 175.265 175.800 0.107 0.000 1.115 1211 F CA -0.545 57.503 58.000 0.079 0.000 1.160 1211 F CB 0.315 39.349 39.000 0.057 0.000 1.123 1211 F HN 0.376 nan 8.300 nan 0.000 0.508 1212 L N 6.432 127.510 121.223 -0.242 0.000 2.331 1212 L HA 0.291 4.627 4.340 -0.006 0.000 0.278 1212 L C 0.009 176.770 176.870 -0.181 0.000 1.106 1212 L CA -0.343 54.424 54.840 -0.121 0.000 0.824 1212 L CB 0.577 42.635 42.059 -0.001 0.000 1.142 1212 L HN 0.490 nan 8.230 nan 0.000 0.443 1213 E N 4.006 124.164 120.200 -0.071 0.000 2.207 1213 E HA 0.531 4.877 4.350 -0.006 0.000 0.270 1213 E C -0.531 176.023 176.600 -0.076 0.000 0.927 1213 E CA -0.758 55.627 56.400 -0.026 0.000 0.799 1213 E CB 2.642 32.364 29.700 0.037 0.000 1.172 1213 E HN 0.403 nan 8.360 nan 0.000 0.404 1224 D N 0.820 121.236 120.400 0.027 0.000 2.433 1224 D HA 0.460 5.096 4.640 -0.006 0.000 0.255 1224 D C 1.658 177.977 176.300 0.032 0.000 1.226 1224 D CA 0.176 54.195 54.000 0.031 0.000 1.015 1224 D CB 0.501 41.320 40.800 0.033 0.000 1.091 1224 D HN 0.357 nan 8.370 nan 0.000 0.527 1225 G N -0.886 107.931 108.800 0.028 0.000 2.446 1225 G HA2 -0.346 3.610 3.960 -0.006 0.000 0.217 1225 G HA3 -0.346 3.610 3.960 -0.006 0.000 0.217 1225 G C 1.344 176.226 174.900 -0.030 0.000 1.168 1225 G CA 1.034 46.127 45.100 -0.013 0.000 0.771 1225 G HN 0.582 nan 8.290 nan 0.000 0.551 1226 Y N 2.058 122.309 120.300 -0.083 0.000 2.081 1226 Y HA -0.167 4.379 4.550 -0.006 0.000 0.280 1226 Y C 2.969 178.813 175.900 -0.094 0.000 1.163 1226 Y CA 1.784 59.835 58.100 -0.081 0.000 1.135 1226 Y CB -0.516 37.917 38.460 -0.046 0.000 0.970 1226 Y HN 0.254 nan 8.280 nan 0.000 0.498 1227 A N -0.139 122.804 122.820 0.204 0.000 1.933 1227 A HA -0.193 4.124 4.320 -0.006 0.000 0.218 1227 A C 2.311 179.882 177.584 -0.021 0.000 1.175 1227 A CA 1.781 53.885 52.037 0.112 0.000 0.628 1227 A CB -0.723 18.328 19.000 0.085 0.000 0.814 1227 A HN 0.525 nan 8.150 nan 0.000 0.444 1228 K N -0.042 120.311 120.400 -0.079 0.000 1.991 1228 K HA -0.146 4.170 4.320 -0.006 0.000 0.212 1228 K C 1.927 178.290 176.600 -0.396 0.000 1.049 1228 K CA 2.042 58.236 56.287 -0.156 0.000 0.932 1228 K CB -0.401 32.010 32.500 -0.149 0.000 0.717 1228 K HN 0.456 nan 8.250 nan 0.000 0.441 1229 V N -0.941 118.587 119.914 -0.642 0.000 2.913 1229 V HA -0.139 3.978 4.120 -0.006 0.000 0.260 1229 V C 1.860 177.731 176.094 -0.372 0.000 1.098 1229 V CA 1.163 62.891 62.300 -0.952 0.000 1.121 1229 V CB -0.282 31.115 31.823 -0.710 0.000 0.714 1229 V HN 0.248 nan 8.190 nan 0.000 0.487 1230 M N 1.565 121.019 119.600 -0.243 0.000 2.514 1230 M HA 0.229 4.705 4.480 -0.006 0.000 0.258 1230 M C 1.306 177.598 176.300 -0.013 0.000 1.119 1230 M CA 0.824 56.057 55.300 -0.112 0.000 1.111 1230 M CB -0.600 31.949 32.600 -0.085 0.000 1.390 1230 M HN 0.748 nan 8.290 nan 0.000 0.475 1231 S N 0.586 116.288 115.700 0.004 0.000 2.576 1231 S HA 0.066 4.532 4.470 -0.006 0.000 0.276 1231 S C 0.772 175.422 174.600 0.082 0.000 1.339 1231 S CA -0.478 57.752 58.200 0.050 0.000 1.039 1231 S CB 1.208 64.444 63.200 0.061 0.000 0.902 1231 S HN 0.190 nan 8.310 nan 0.000 0.516 1232 D N 2.178 122.611 120.400 0.055 0.000 2.158 1232 D HA -0.111 4.526 4.640 -0.006 0.000 0.197 1232 D C 2.168 178.495 176.300 0.044 0.000 0.995 1232 D CA 1.859 55.885 54.000 0.043 0.000 0.846 1232 D CB -0.754 40.061 40.800 0.025 0.000 0.941 1232 D HN 0.744 nan 8.370 nan 0.000 0.456 1233 A N 0.167 123.022 122.820 0.058 0.000 1.877 1233 A HA -0.161 4.156 4.320 -0.006 0.000 0.216 1233 A C 2.167 179.784 177.584 0.056 0.000 1.186 1233 A CA 1.045 53.109 52.037 0.045 0.000 0.620 1233 A CB -1.016 18.016 19.000 0.054 0.000 0.822 1233 A HN 0.270 nan 8.150 nan 0.000 0.443 1234 F N 0.430 120.358 119.950 -0.036 0.000 2.113 1234 F HA -0.110 4.413 4.527 -0.008 0.000 0.297 1234 F C 2.010 177.763 175.800 -0.080 0.000 1.103 1234 F CA 1.722 59.696 58.000 -0.044 0.000 1.248 1234 F CB -0.140 38.852 39.000 -0.013 0.000 0.999 1234 F HN 0.158 nan 8.300 nan 0.000 0.475 1235 I N 0.414 121.096 120.570 0.187 0.000 2.264 1235 I HA -0.315 3.851 4.170 -0.006 0.000 0.248 1235 I C 2.561 178.624 176.117 -0.090 0.000 1.111 1235 I CA 1.384 62.719 61.300 0.058 0.000 1.382 1235 I CB -0.535 37.513 38.000 0.080 0.000 1.060 1235 I HN 0.163 nan 8.210 nan 0.000 0.418 1236 K N 1.514 121.863 120.400 -0.084 0.000 2.025 1236 K HA -0.158 4.158 4.320 -0.006 0.000 0.207 1236 K C 2.180 178.656 176.600 -0.207 0.000 1.049 1236 K CA 1.572 57.789 56.287 -0.117 0.000 0.933 1236 K CB -0.078 32.377 32.500 -0.074 0.000 0.714 1236 K HN 0.269 nan 8.250 nan 0.000 0.438 1237 A N 1.416 124.080 122.820 -0.259 0.000 1.972 1237 A HA -0.184 4.132 4.320 -0.006 0.000 0.219 1237 A C 2.016 179.270 177.584 -0.549 0.000 1.169 1237 A CA 1.677 53.502 52.037 -0.354 0.000 0.635 1237 A CB -0.441 18.342 19.000 -0.361 0.000 0.810 1237 A HN 0.586 nan 8.150 nan 0.000 0.446 1238 E N -1.006 118.782 120.200 -0.687 0.000 2.046 1238 E HA -0.169 4.178 4.350 -0.006 0.000 0.190 1238 E C 1.917 177.853 176.600 -1.107 0.000 0.982 1238 E CA 1.188 56.960 56.400 -1.047 0.000 0.800 1238 E CB -0.149 29.056 29.700 -0.825 0.000 0.756 1238 E HN 0.411 nan 8.360 nan 0.000 0.449 1239 M N 0.845 120.096 119.600 -0.582 0.000 2.149 1239 M HA -0.148 4.329 4.480 -0.006 0.000 0.261 1239 M C 1.858 177.994 176.300 -0.273 0.000 1.064 1239 M CA 1.497 56.603 55.300 -0.323 0.000 1.102 1239 M CB -0.861 31.653 32.600 -0.142 0.000 1.369 1239 M HN 0.138 nan 8.290 nan 0.000 0.408 1240 E N -0.105 119.919 120.200 -0.294 0.000 2.106 1240 E HA -0.150 4.197 4.350 -0.006 0.000 0.192 1240 E C 2.138 178.594 176.600 -0.240 0.000 0.984 1240 E CA 0.673 56.942 56.400 -0.217 0.000 0.806 1240 E CB -0.120 29.461 29.700 -0.198 0.000 0.750 1240 E HN 0.378 nan 8.360 nan 0.000 0.458 1241 L N 0.289 121.268 121.223 -0.405 0.000 2.017 1241 L HA -0.167 4.169 4.340 -0.006 0.000 0.208 1241 L C 1.943 178.721 176.870 -0.154 0.000 1.073 1241 L CA 1.474 56.094 54.840 -0.367 0.000 0.745 1241 L CB -0.192 41.485 42.059 -0.637 0.000 0.894 1241 L HN 0.137 nan 8.230 nan 0.000 0.432 1242 F N 0.346 120.162 119.950 -0.223 0.000 2.234 1242 F HA -0.053 4.473 4.527 -0.002 0.000 0.299 1242 F C 2.689 178.427 175.800 -0.103 0.000 1.087 1242 F CA 0.645 58.551 58.000 -0.156 0.000 1.340 1242 F CB -1.486 37.430 39.000 -0.141 0.000 1.031 1242 F HN 0.128 nan 8.300 nan 0.000 0.500 1243 A N -0.010 122.850 122.820 0.065 0.000 1.897 1243 A HA 0.083 4.400 4.320 -0.006 0.000 0.215 1243 A C 2.470 180.058 177.584 0.007 0.000 1.181 1243 A CA 1.509 53.561 52.037 0.026 0.000 0.620 1243 A CB -1.101 17.892 19.000 -0.011 0.000 0.821 1243 A HN 0.252 nan 8.150 nan 0.000 0.443 1244 A N -1.120 121.690 122.820 -0.016 0.000 1.898 1244 A HA -0.141 4.175 4.320 -0.006 0.000 0.216 1244 A C 2.137 179.717 177.584 -0.007 0.000 1.181 1244 A CA 1.546 53.570 52.037 -0.022 0.000 0.620 1244 A CB -0.447 18.525 19.000 -0.046 0.000 0.819 1244 A HN 0.455 nan 8.150 nan 0.000 0.442 1245 Q N -0.395 119.410 119.800 0.008 0.000 2.084 1245 Q HA -0.124 4.212 4.340 -0.006 0.000 0.202 1245 Q C 2.450 178.452 176.000 0.004 0.000 0.978 1245 Q CA 1.603 57.413 55.803 0.012 0.000 0.844 1245 Q CB -0.804 27.956 28.738 0.037 0.000 0.898 1245 Q HN 0.643 nan 8.270 nan 0.000 0.426 1246 A N 1.539 124.367 122.820 0.014 0.000 1.948 1246 A HA -0.228 4.089 4.320 -0.006 0.000 0.220 1246 A C 2.065 179.650 177.584 0.001 0.000 1.177 1246 A CA 1.734 53.774 52.037 0.005 0.000 0.636 1246 A CB -0.417 18.595 19.000 0.019 0.000 0.815 1246 A HN 0.288 nan 8.150 nan 0.000 0.449 1247 K N -0.474 119.927 120.400 0.003 0.000 2.209 1247 K HA -0.174 4.142 4.320 -0.006 0.000 0.204 1247 K C 1.680 178.278 176.600 -0.003 0.000 1.048 1247 K CA 1.610 57.897 56.287 0.000 0.000 0.940 1247 K CB -0.083 32.416 32.500 -0.002 0.000 0.729 1247 K HN 0.911 nan 8.250 nan 0.000 0.451 1248 E N 0.091 120.287 120.200 -0.007 0.000 2.490 1248 E HA 0.021 4.368 4.350 -0.006 0.000 0.209 1248 E C 0.472 177.062 176.600 -0.016 0.000 0.971 1248 E CA -0.207 56.188 56.400 -0.009 0.000 0.988 1248 E CB 0.374 30.070 29.700 -0.007 0.000 1.029 1248 E HN 0.025 nan 8.360 nan 0.000 0.496 1249 V N -0.783 119.115 119.914 -0.026 0.000 2.837 1249 V HA 0.267 4.384 4.120 -0.006 0.000 0.310 1249 V C 0.214 176.269 176.094 -0.065 0.000 1.059 1249 V CA -0.551 61.718 62.300 -0.051 0.000 1.004 1249 V CB 1.848 33.635 31.823 -0.060 0.000 1.045 1249 V HN -0.039 nan 8.190 nan 0.000 0.465 1250 D N 1.166 121.493 120.400 -0.122 0.000 2.324 1250 D HA 0.230 4.867 4.640 -0.006 0.000 0.212 1250 D C 0.286 176.411 176.300 -0.293 0.000 0.984 1250 D CA 0.985 54.889 54.000 -0.161 0.000 0.885 1250 D CB 0.745 41.434 40.800 -0.185 0.000 0.996 1250 D HN 0.412 nan 8.370 nan 0.000 0.505 1251 I N 1.647 122.024 120.570 -0.321 0.000 2.498 1251 I HA 0.387 4.554 4.170 -0.006 0.000 0.290 1251 I C -0.277 175.753 176.117 -0.146 0.000 1.032 1251 I CA -0.661 60.474 61.300 -0.275 0.000 1.073 1251 I CB 2.224 40.016 38.000 -0.346 0.000 1.251 1251 I HN -0.230 nan 8.210 nan 0.000 0.426 1252 I N 5.591 126.100 120.570 -0.102 0.000 2.465 1252 I HA 0.456 4.623 4.170 -0.006 0.000 0.291 1252 I C -0.542 175.538 176.117 -0.062 0.000 1.014 1252 I CA -0.934 60.316 61.300 -0.083 0.000 1.093 1252 I CB 2.492 40.436 38.000 -0.093 0.000 1.267 1252 I HN 0.126 nan 8.210 nan 0.000 0.431 1253 V N 4.532 124.417 119.914 -0.049 0.000 2.357 1253 V HA 0.408 4.524 4.120 -0.006 0.000 0.284 1253 V C 0.126 176.193 176.094 -0.045 0.000 1.018 1253 V CA -0.474 61.808 62.300 -0.030 0.000 0.841 1253 V CB 1.716 33.538 31.823 -0.002 0.000 0.991 1253 V HN 0.848 nan 8.190 nan 0.000 0.437 1254 T N 0.156 114.680 114.554 -0.049 0.000 2.797 1254 T HA 0.514 4.860 4.350 -0.006 0.000 0.279 1254 T C 0.479 175.165 174.700 -0.023 0.000 0.991 1254 T CA 0.046 62.111 62.100 -0.059 0.000 0.979 1254 T CB 1.587 70.401 68.868 -0.090 0.000 0.943 1254 T HN 0.752 nan 8.240 nan 0.000 0.444 1255 T N -1.449 113.101 114.554 -0.007 0.000 3.170 1255 T HA 0.479 4.826 4.350 -0.006 0.000 0.288 1255 T C 0.724 175.435 174.700 0.019 0.000 0.992 1255 T CA -0.131 61.976 62.100 0.012 0.000 0.909 1255 T CB -0.081 68.802 68.868 0.025 0.000 1.133 1255 T HN 0.941 nan 8.240 nan 0.000 0.530 1256 A N 2.022 124.853 122.820 0.019 0.000 2.539 1256 A HA 0.695 5.011 4.320 -0.006 0.000 0.306 1256 A C -0.324 177.272 177.584 0.020 0.000 1.392 1256 A CA -0.510 51.547 52.037 0.034 0.000 1.060 1256 A CB -0.610 18.425 19.000 0.058 0.000 1.134 1256 A HN 0.758 nan 8.150 nan 0.000 0.542 1257 L N 4.167 125.401 121.223 0.019 0.000 2.476 1257 L HA 0.617 4.954 4.340 -0.006 0.000 0.269 1257 L C -1.533 175.346 176.870 0.014 0.000 0.965 1257 L CA -0.471 54.371 54.840 0.003 0.000 0.845 1257 L CB 1.427 43.478 42.059 -0.013 0.000 1.259 1257 L HN 0.453 nan 8.230 nan 0.000 0.403 1258 I N 5.605 126.181 120.570 0.010 0.000 2.378 1258 I HA 0.417 4.583 4.170 -0.006 0.000 0.291 1258 I C -2.091 174.026 176.117 -0.000 0.000 0.992 1258 I CA -2.180 59.136 61.300 0.027 0.000 1.154 1258 I CB 1.504 39.528 38.000 0.040 0.000 1.315 1258 I HN 0.482 nan 8.210 nan 0.000 0.448 1259 P HA 0.046 nan 4.420 nan 0.000 0.257 1259 P C 0.969 178.246 177.300 -0.038 0.000 1.162 1259 P CA 1.064 64.125 63.100 -0.065 0.000 0.762 1259 P CB 0.382 32.145 31.700 0.106 0.000 0.753 1260 G N 2.123 110.857 108.800 -0.109 0.000 2.284 1260 G HA2 -0.227 3.729 3.960 -0.006 0.000 0.247 1260 G HA3 -0.227 3.729 3.960 -0.006 0.000 0.247 1260 G C 0.252 175.134 174.900 -0.030 0.000 1.012 1260 G CA -0.085 44.980 45.100 -0.059 0.000 0.618 1260 G HN 0.509 nan 8.290 nan 0.000 0.521 1261 K N 1.493 121.882 120.400 -0.018 0.000 2.118 1261 K HA 0.515 4.832 4.320 -0.006 0.000 0.267 1261 K C -2.424 174.163 176.600 -0.022 0.000 0.991 1261 K CA -2.017 54.266 56.287 -0.006 0.000 0.916 1261 K CB 1.113 33.621 32.500 0.013 0.000 1.041 1261 K HN 0.085 nan 8.250 nan 0.000 0.455 1262 P HA 0.019 nan 4.420 nan 0.000 0.268 1262 P C -0.878 176.412 177.300 -0.016 0.000 1.204 1262 P CA -0.070 63.017 63.100 -0.023 0.000 0.768 1262 P CB 0.509 32.199 31.700 -0.017 0.000 0.842 1263 A N 5.499 128.306 122.820 -0.021 0.000 2.388 1263 A HA 0.455 4.771 4.320 -0.006 0.000 0.257 1263 A C -2.015 175.568 177.584 -0.002 0.000 1.095 1263 A CA -1.251 50.779 52.037 -0.011 0.000 0.791 1263 A CB -0.884 18.105 19.000 -0.019 0.000 1.029 1263 A HN 0.414 nan 8.150 nan 0.000 0.489 1264 P HA 0.159 nan 4.420 nan 0.000 0.271 1264 P C -0.960 176.353 177.300 0.022 0.000 1.216 1264 P CA -0.259 62.857 63.100 0.026 0.000 0.776 1264 P CB 0.480 32.211 31.700 0.052 0.000 0.881 1265 K N 3.517 123.927 120.400 0.016 0.000 2.171 1265 K HA 0.199 4.516 4.320 -0.006 0.000 0.274 1265 K C 1.015 177.640 176.600 0.041 0.000 1.110 1265 K CA -0.129 56.162 56.287 0.007 0.000 0.952 1265 K CB -0.538 31.953 32.500 -0.015 0.000 1.309 1265 K HN 0.468 nan 8.250 nan 0.000 0.414 1266 L N 1.277 122.534 121.223 0.056 0.000 2.249 1266 L HA 0.166 4.503 4.340 -0.006 0.000 0.207 1266 L C 0.581 177.515 176.870 0.106 0.000 1.090 1266 L CA 0.435 55.356 54.840 0.135 0.000 0.802 1266 L CB 0.112 42.239 42.059 0.114 0.000 0.947 1266 L HN 0.338 nan 8.230 nan 0.000 0.453 1267 I N 1.394 121.970 120.570 0.010 0.000 2.359 1267 I HA 0.170 4.337 4.170 -0.006 0.000 0.284 1267 I C 0.498 176.615 176.117 0.000 0.000 1.018 1267 I CA -0.088 61.214 61.300 0.005 0.000 1.173 1267 I CB 0.748 38.728 38.000 -0.033 0.000 1.326 1267 I HN 0.080 nan 8.210 nan 0.000 0.462 1268 T N 2.598 117.154 114.554 0.002 0.000 2.849 1268 T HA 0.350 4.696 4.350 -0.006 0.000 0.284 1268 T C 1.411 176.072 174.700 -0.064 0.000 1.004 1268 T CA -0.512 61.559 62.100 -0.048 0.000 1.021 1268 T CB 1.541 70.387 68.868 -0.036 0.000 1.013 1268 T HN 0.521 nan 8.240 nan 0.000 0.527 1269 R N 0.530 120.907 120.500 -0.205 0.000 2.113 1269 R HA -0.181 4.156 4.340 -0.006 0.000 0.244 1269 R C 2.349 178.669 176.300 0.033 0.000 1.142 1269 R CA 2.176 58.106 56.100 -0.283 0.000 0.953 1269 R CB -0.421 29.602 30.300 -0.462 0.000 0.860 1269 R HN 0.724 nan 8.270 nan 0.000 0.438 1270 E N 0.148 120.349 120.200 0.001 0.000 2.077 1270 E HA -0.148 4.198 4.350 -0.006 0.000 0.193 1270 E C 1.972 178.604 176.600 0.053 0.000 0.989 1270 E CA 1.393 57.813 56.400 0.033 0.000 0.800 1270 E CB -0.104 29.599 29.700 0.006 0.000 0.746 1270 E HN 0.309 nan 8.360 nan 0.000 0.452 1271 M N -0.340 119.289 119.600 0.048 0.000 2.086 1271 M HA -0.155 4.322 4.480 -0.006 0.000 0.261 1271 M C 2.148 178.493 176.300 0.075 0.000 1.067 1271 M CA 1.100 56.432 55.300 0.053 0.000 1.116 1271 M CB -0.241 32.390 32.600 0.051 0.000 1.348 1271 M HN 0.005 nan 8.290 nan 0.000 0.407 1272 V N 0.348 120.337 119.914 0.126 0.000 2.343 1272 V HA -0.260 3.856 4.120 -0.006 0.000 0.247 1272 V C 1.691 177.861 176.094 0.127 0.000 1.051 1272 V CA 1.803 64.196 62.300 0.155 0.000 1.036 1272 V CB -0.825 31.187 31.823 0.315 0.000 0.654 1272 V HN 0.402 nan 8.190 nan 0.000 0.451 1273 D N 0.547 121.050 120.400 0.172 0.000 2.221 1273 D HA -0.131 4.506 4.640 -0.006 0.000 0.204 1273 D C 2.328 178.663 176.300 0.058 0.000 0.982 1273 D CA 1.725 55.793 54.000 0.114 0.000 0.857 1273 D CB -0.177 40.703 40.800 0.133 0.000 0.934 1273 D HN 0.622 nan 8.370 nan 0.000 0.475 1274 S N -0.793 114.938 115.700 0.052 0.000 2.522 1274 S HA 0.008 4.475 4.470 -0.006 0.000 0.227 1274 S C 1.029 175.641 174.600 0.020 0.000 0.986 1274 S CA -0.158 58.059 58.200 0.029 0.000 0.929 1274 S CB -0.095 63.120 63.200 0.024 0.000 0.769 1274 S HN 0.068 nan 8.310 nan 0.000 0.529 1275 M N 1.779 121.392 119.600 0.022 0.000 2.241 1275 M HA 0.268 4.745 4.480 -0.006 0.000 0.335 1275 M C 0.201 176.504 176.300 0.005 0.000 1.122 1275 M CA -0.307 55.001 55.300 0.012 0.000 1.164 1275 M CB 0.612 33.219 32.600 0.012 0.000 1.459 1275 M HN 0.095 nan 8.290 nan 0.000 0.461 1276 K N 1.697 122.100 120.400 0.006 0.000 2.451 1276 K HA 0.284 4.600 4.320 -0.006 0.000 0.280 1276 K C -0.356 176.248 176.600 0.007 0.000 1.020 1276 K CA -0.276 56.014 56.287 0.006 0.000 1.008 1276 K CB 0.600 33.108 32.500 0.013 0.000 0.917 1276 K HN 0.735 nan 8.250 nan 0.000 0.478 1277 A N 3.420 126.235 122.820 -0.008 0.000 2.587 1277 A HA 0.284 4.600 4.320 -0.006 0.000 0.235 1277 A C 1.274 178.857 177.584 -0.002 0.000 1.044 1277 A CA 0.897 52.922 52.037 -0.019 0.000 0.754 1277 A CB -0.736 18.243 19.000 -0.034 0.000 0.968 1277 A HN 1.222 nan 8.150 nan 0.000 0.509 1278 G N 1.682 110.484 108.800 0.003 0.000 2.195 1278 G HA2 -0.210 3.746 3.960 -0.006 0.000 0.246 1278 G HA3 -0.210 3.746 3.960 -0.006 0.000 0.246 1278 G C 0.591 175.594 174.900 0.171 0.000 0.984 1278 G CA 0.419 45.544 45.100 0.043 0.000 0.633 1278 G HN 1.239 nan 8.290 nan 0.000 0.525 1279 S N -0.753 115.019 115.700 0.120 0.000 2.584 1279 S HA 0.524 4.991 4.470 -0.006 0.000 0.270 1279 S C 0.388 175.019 174.600 0.052 0.000 1.346 1279 S CA 0.278 58.537 58.200 0.099 0.000 1.018 1279 S CB 1.936 65.150 63.200 0.023 0.000 0.899 1279 S HN 0.867 nan 8.310 nan 0.000 0.542 1280 V N 2.554 122.449 119.914 -0.032 0.000 2.656 1280 V HA 0.494 4.611 4.120 -0.006 0.000 0.307 1280 V C -0.513 175.551 176.094 -0.050 0.000 1.051 1280 V CA -0.554 61.732 62.300 -0.024 0.000 0.893 1280 V CB 1.588 33.406 31.823 -0.009 0.000 0.999 1280 V HN 0.705 nan 8.190 nan 0.000 0.426 1281 I N 4.165 124.720 120.570 -0.024 0.000 2.433 1281 I HA 0.521 4.688 4.170 -0.006 0.000 0.292 1281 I C -0.747 175.358 176.117 -0.021 0.000 1.001 1281 I CA -0.861 60.424 61.300 -0.026 0.000 1.119 1281 I CB 2.127 40.121 38.000 -0.008 0.000 1.289 1281 I HN 0.281 nan 8.210 nan 0.000 0.438 1282 V N 4.544 124.445 119.914 -0.022 0.000 2.334 1282 V HA 0.247 4.363 4.120 -0.006 0.000 0.281 1282 V C -0.417 175.668 176.094 -0.016 0.000 1.016 1282 V CA -0.501 61.791 62.300 -0.014 0.000 0.832 1282 V CB 1.523 33.348 31.823 0.003 0.000 0.999 1282 V HN 0.618 nan 8.190 nan 0.000 0.439 1283 D N 4.676 125.065 120.400 -0.018 0.000 2.499 1283 D HA 0.273 4.910 4.640 -0.006 0.000 0.225 1283 D C 0.919 177.213 176.300 -0.010 0.000 1.124 1283 D CA -0.261 53.728 54.000 -0.019 0.000 0.938 1283 D CB 1.058 41.845 40.800 -0.021 0.000 1.014 1283 D HN 0.444 nan 8.370 nan 0.000 0.517 1284 L N 1.720 122.941 121.223 -0.004 0.000 2.675 1284 L HA 0.049 4.386 4.340 -0.006 0.000 0.238 1284 L C 1.502 178.368 176.870 -0.007 0.000 1.155 1284 L CA 0.330 55.172 54.840 0.004 0.000 0.881 1284 L CB -0.253 41.814 42.059 0.013 0.000 1.008 1284 L HN 0.314 nan 8.230 nan 0.000 0.443 1285 A N -0.759 122.051 122.820 -0.016 0.000 2.465 1285 A HA 0.468 4.785 4.320 -0.006 0.000 0.255 1285 A C 2.132 179.696 177.584 -0.033 0.000 1.274 1285 A CA 0.571 52.594 52.037 -0.025 0.000 0.920 1285 A CB 0.046 19.034 19.000 -0.020 0.000 1.033 1285 A HN 0.268 nan 8.150 nan 0.000 0.516 1286 A N 0.875 123.679 122.820 -0.027 0.000 1.940 1286 A HA -0.228 4.088 4.320 -0.006 0.000 0.219 1286 A C 2.108 179.669 177.584 -0.040 0.000 1.176 1286 A CA 1.634 53.654 52.037 -0.029 0.000 0.631 1286 A CB -0.468 18.522 19.000 -0.016 0.000 0.814 1286 A HN 0.718 nan 8.150 nan 0.000 0.446 1287 Q N -0.439 119.331 119.800 -0.052 0.000 2.364 1287 Q HA -0.087 4.249 4.340 -0.006 0.000 0.207 1287 Q C 0.418 176.364 176.000 -0.090 0.000 0.970 1287 Q CA 1.482 57.240 55.803 -0.076 0.000 0.888 1287 Q CB -0.551 28.122 28.738 -0.107 0.000 0.951 1287 Q HN 0.803 nan 8.270 nan 0.000 0.469 1288 N N -0.131 118.521 118.700 -0.081 0.000 2.321 1288 N HA 0.225 4.961 4.740 -0.006 0.000 0.242 1288 N C 0.139 175.616 175.510 -0.055 0.000 1.141 1288 N CA 0.246 53.250 53.050 -0.077 0.000 0.864 1288 N CB 1.155 39.594 38.487 -0.080 0.000 1.100 1288 N HN 0.484 nan 8.380 nan 0.000 0.510 1289 G N 0.510 109.279 108.800 -0.052 0.000 2.259 1289 G HA2 -0.152 3.804 3.960 -0.006 0.000 0.217 1289 G HA3 -0.152 3.804 3.960 -0.006 0.000 0.217 1289 G C 0.351 175.224 174.900 -0.045 0.000 1.001 1289 G CA -0.294 44.778 45.100 -0.047 0.000 0.627 1289 G HN 0.709 nan 8.290 nan 0.000 0.501 1290 G N -0.722 108.055 108.800 -0.039 0.000 2.712 1290 G HA2 0.040 3.997 3.960 -0.006 0.000 0.686 1290 G HA3 0.040 3.997 3.960 -0.006 0.000 0.686 1290 G C 0.133 175.016 174.900 -0.029 0.000 1.181 1290 G CA 0.433 45.513 45.100 -0.034 0.000 0.762 1290 G HN 0.936 nan 8.290 nan 0.000 0.641 1291 N N -0.884 117.801 118.700 -0.026 0.000 2.512 1291 N HA 0.095 4.832 4.740 -0.006 0.000 0.183 1291 N C 0.965 176.459 175.510 -0.027 0.000 1.073 1291 N CA 1.012 54.048 53.050 -0.024 0.000 0.911 1291 N CB 0.329 38.795 38.487 -0.034 0.000 0.964 1291 N HN 0.691 nan 8.380 nan 0.000 0.447 1292 C N 0.405 119.690 119.300 -0.025 0.000 2.382 1292 C HA 0.241 4.698 4.460 -0.006 0.000 0.327 1292 C C 1.484 176.454 174.990 -0.033 0.000 1.250 1292 C CA -0.676 58.334 59.018 -0.013 0.000 1.707 1292 C CB 0.909 28.661 27.740 0.021 0.000 2.272 1292 C HN 0.395 nan 8.230 nan 0.000 0.506 1293 E N 1.831 121.985 120.200 -0.076 0.000 2.268 1293 E HA -0.121 4.225 4.350 -0.006 0.000 0.195 1293 E C 0.363 176.840 176.600 -0.205 0.000 0.995 1293 E CA 1.407 57.710 56.400 -0.162 0.000 0.836 1293 E CB 0.070 29.626 29.700 -0.241 0.000 0.763 1293 E HN 0.862 nan 8.360 nan 0.000 0.491 1294 Y N 0.568 120.815 120.300 -0.087 0.000 2.511 1294 Y HA 0.044 4.589 4.550 -0.008 0.000 0.279 1294 Y C 0.760 176.521 175.900 -0.232 0.000 1.157 1294 Y CA 0.330 58.334 58.100 -0.159 0.000 1.300 1294 Y CB 0.189 38.672 38.460 0.039 0.000 1.052 1294 Y HN -0.215 nan 8.280 nan 0.000 0.529 1295 T N 1.273 115.827 114.554 0.001 0.000 2.902 1295 T HA 0.207 4.553 4.350 -0.006 0.000 0.301 1295 T C -0.124 174.517 174.700 -0.099 0.000 1.012 1295 T CA 0.103 62.185 62.100 -0.028 0.000 1.151 1295 T CB 0.683 69.537 68.868 -0.024 0.000 0.946 1295 T HN -0.238 nan 8.240 nan 0.000 0.542 1296 V N 7.989 127.854 119.914 -0.082 0.000 2.293 1296 V HA 0.264 4.381 4.120 -0.006 0.000 0.275 1296 V C -2.144 173.930 176.094 -0.032 0.000 1.021 1296 V CA -2.130 60.125 62.300 -0.076 0.000 0.815 1296 V CB 0.918 32.705 31.823 -0.061 0.000 1.025 1296 V HN 0.693 nan 8.190 nan 0.000 0.448 1297 P HA 0.207 nan 4.420 nan 0.000 0.264 1297 P C 1.069 178.380 177.300 0.019 0.000 1.183 1297 P CA 1.381 64.474 63.100 -0.012 0.000 0.763 1297 P CB 0.646 32.334 31.700 -0.020 0.000 0.807 1298 G N 1.481 110.317 108.800 0.059 0.000 2.175 1298 G HA2 -0.193 3.764 3.960 -0.006 0.000 0.244 1298 G HA3 -0.193 3.764 3.960 -0.006 0.000 0.244 1298 G C -0.074 174.943 174.900 0.195 0.000 0.982 1298 G CA -0.173 45.011 45.100 0.139 0.000 0.641 1298 G HN 0.561 nan 8.290 nan 0.000 0.527 1299 E N -0.981 119.236 120.200 0.028 0.000 2.446 1299 E HA 0.663 5.010 4.350 -0.006 0.000 0.276 1299 E C -0.664 175.783 176.600 -0.256 0.000 0.969 1299 E CA -1.099 55.279 56.400 -0.036 0.000 0.800 1299 E CB 1.873 31.602 29.700 0.048 0.000 1.341 1299 E HN 0.183 nan 8.360 nan 0.000 0.460 1300 I N 1.756 122.201 120.570 -0.209 0.000 2.336 1300 I HA 0.303 4.469 4.170 -0.006 0.000 0.292 1300 I C -0.865 175.263 176.117 0.019 0.000 0.991 1300 I CA -0.560 60.645 61.300 -0.158 0.000 1.227 1300 I CB 0.594 38.502 38.000 -0.153 0.000 1.366 1300 I HN 0.332 nan 8.210 nan 0.000 0.466 1301 F N 5.368 125.257 119.950 -0.102 0.000 2.436 1301 F HA 0.448 4.971 4.527 -0.007 0.000 0.340 1301 F C -0.035 175.705 175.800 -0.100 0.000 1.113 1301 F CA -0.239 57.717 58.000 -0.075 0.000 1.022 1301 F CB 1.476 40.450 39.000 -0.044 0.000 1.128 1301 F HN 0.282 nan 8.300 nan 0.000 0.466 1302 T N 4.660 118.751 114.554 -0.771 0.000 2.749 1302 T HA 0.331 4.677 4.350 -0.006 0.000 0.287 1302 T C 0.171 174.324 174.700 -0.911 0.000 0.970 1302 T CA -0.525 61.206 62.100 -0.616 0.000 0.980 1302 T CB 0.826 69.465 68.868 -0.381 0.000 0.924 1302 T HN 0.753 nan 8.240 nan 0.000 0.456 1303 T N 0.649 114.837 114.554 -0.609 0.000 2.754 1303 T HA 0.285 4.632 4.350 -0.006 0.000 0.286 1303 T C 1.277 175.781 174.700 -0.328 0.000 0.997 1303 T CA -0.609 61.168 62.100 -0.539 0.000 0.982 1303 T CB 0.892 69.419 68.868 -0.568 0.000 1.027 1303 T HN 0.599 nan 8.240 nan 0.000 0.529 1304 E N 0.744 120.817 120.200 -0.213 0.000 2.110 1304 E HA -0.169 4.178 4.350 -0.006 0.000 0.193 1304 E C 1.675 178.215 176.600 -0.100 0.000 0.988 1304 E CA 1.154 57.484 56.400 -0.117 0.000 0.804 1304 E CB -0.103 29.574 29.700 -0.039 0.000 0.745 1304 E HN 0.775 nan 8.360 nan 0.000 0.458 1305 N N -0.312 118.329 118.700 -0.098 0.000 2.434 1305 N HA -0.022 4.714 4.740 -0.006 0.000 0.196 1305 N C 0.729 176.188 175.510 -0.084 0.000 1.183 1305 N CA 1.002 54.010 53.050 -0.071 0.000 0.849 1305 N CB 0.571 39.036 38.487 -0.037 0.000 0.992 1305 N HN 0.183 nan 8.380 nan 0.000 0.460 1306 G N -0.507 108.221 108.800 -0.120 0.000 2.149 1306 G HA2 -0.231 3.726 3.960 -0.006 0.000 0.235 1306 G HA3 -0.231 3.726 3.960 -0.006 0.000 0.235 1306 G C -0.491 174.353 174.900 -0.094 0.000 1.018 1306 G CA 0.187 45.221 45.100 -0.109 0.000 0.728 1306 G HN 0.290 nan 8.290 nan 0.000 0.508 1307 V N 1.054 120.896 119.914 -0.120 0.000 2.439 1307 V HA 0.522 4.639 4.120 -0.006 0.000 0.282 1307 V C 0.197 176.228 176.094 -0.106 0.000 1.039 1307 V CA -0.935 61.315 62.300 -0.084 0.000 0.913 1307 V CB 1.789 33.569 31.823 -0.071 0.000 0.983 1307 V HN 0.210 nan 8.190 nan 0.000 0.460 1308 K N 3.969 124.338 120.400 -0.052 0.000 2.253 1308 K HA 0.479 4.796 4.320 -0.006 0.000 0.277 1308 K C -0.868 175.719 176.600 -0.021 0.000 1.053 1308 K CA -0.402 55.856 56.287 -0.049 0.000 0.892 1308 K CB 1.723 34.215 32.500 -0.013 0.000 1.102 1308 K HN 0.417 nan 8.250 nan 0.000 0.469 1309 V N 5.595 125.509 119.914 -0.001 0.000 2.311 1309 V HA 0.351 4.467 4.120 -0.006 0.000 0.275 1309 V C 0.374 176.455 176.094 -0.022 0.000 1.022 1309 V CA -0.744 61.574 62.300 0.031 0.000 0.830 1309 V CB 0.652 32.553 31.823 0.130 0.000 1.012 1309 V HN 0.571 nan 8.190 nan 0.000 0.452 1310 I N 4.056 124.585 120.570 -0.070 0.000 2.325 1310 I HA 0.440 4.606 4.170 -0.006 0.000 0.291 1310 I C 1.175 177.192 176.117 -0.166 0.000 1.019 1310 I CA 0.204 61.393 61.300 -0.186 0.000 1.302 1310 I CB 1.357 39.270 38.000 -0.145 0.000 1.401 1310 I HN 0.712 nan 8.210 nan 0.000 0.485 1311 G N 5.571 114.223 108.800 -0.248 0.000 3.863 1311 G HA2 0.155 4.111 3.960 -0.006 0.000 0.290 1311 G HA3 0.155 4.111 3.960 -0.006 0.000 0.290 1311 G C -0.080 174.786 174.900 -0.056 0.000 1.018 1311 G CA -0.178 44.850 45.100 -0.119 0.000 0.824 1311 G HN 0.366 nan 8.290 nan 0.000 0.507 1312 Y N 1.597 121.903 120.300 0.010 0.000 2.811 1312 Y HA 0.127 4.669 4.550 -0.013 0.000 0.334 1312 Y C 1.985 177.877 175.900 -0.013 0.000 1.247 1312 Y CA 0.560 58.659 58.100 -0.001 0.000 1.526 1312 Y CB 0.720 39.179 38.460 -0.002 0.000 1.284 1312 Y HN 0.126 nan 8.280 nan 0.000 0.586 1313 T N -3.026 111.616 114.554 0.147 0.000 3.105 1313 T HA 0.067 4.413 4.350 -0.006 0.000 0.253 1313 T C -0.011 174.701 174.700 0.020 0.000 1.047 1313 T CA 0.082 62.212 62.100 0.049 0.000 0.944 1313 T CB -0.199 68.675 68.868 0.010 0.000 1.016 1313 T HN 0.609 nan 8.240 nan 0.000 0.544 1314 D N 0.814 121.233 120.400 0.031 0.000 2.957 1314 D HA 0.187 4.823 4.640 -0.006 0.000 0.352 1314 D C 1.095 177.388 176.300 -0.012 0.000 1.352 1314 D CA -0.618 53.374 54.000 -0.012 0.000 0.831 1314 D CB -0.063 40.715 40.800 -0.037 0.000 1.147 1314 D HN 0.036 nan 8.370 nan 0.000 0.467 1315 L N 0.680 121.915 121.223 0.021 0.000 2.012 1315 L HA -0.009 4.328 4.340 -0.006 0.000 0.210 1315 L C -0.502 176.382 176.870 0.024 0.000 1.073 1315 L CA 1.654 56.514 54.840 0.032 0.000 0.748 1315 L CB -1.857 40.236 42.059 0.058 0.000 0.891 1315 L HN 0.170 nan 8.230 nan 0.000 0.431 1316 P HA -0.097 nan 4.420 nan 0.000 0.216 1316 P C 1.541 178.847 177.300 0.011 0.000 1.150 1316 P CA 1.571 64.686 63.100 0.025 0.000 0.837 1316 P CB -0.176 31.533 31.700 0.015 0.000 0.786 1317 G N -0.454 108.339 108.800 -0.011 0.000 2.559 1317 G HA2 -0.197 3.760 3.960 -0.006 0.000 0.216 1317 G HA3 -0.197 3.760 3.960 -0.006 0.000 0.216 1317 G C 1.457 176.337 174.900 -0.033 0.000 1.126 1317 G CA 0.165 45.254 45.100 -0.019 0.000 0.778 1317 G HN 0.270 nan 8.290 nan 0.000 0.543 1318 R N -1.212 119.266 120.500 -0.038 0.000 2.317 1318 R HA 0.273 4.610 4.340 -0.006 0.000 0.208 1318 R C 0.056 176.348 176.300 -0.013 0.000 0.914 1318 R CA -0.107 55.961 56.100 -0.053 0.000 1.060 1318 R CB 0.219 30.470 30.300 -0.082 0.000 1.015 1318 R HN 0.215 nan 8.270 nan 0.000 0.498 1319 L N 1.496 122.729 121.223 0.016 0.000 2.732 1319 L HA 0.282 4.619 4.340 -0.006 0.000 0.246 1319 L C -2.014 174.870 176.870 0.023 0.000 1.407 1319 L CA -1.849 53.010 54.840 0.032 0.000 0.861 1319 L CB 1.409 43.512 42.059 0.074 0.000 1.161 1319 L HN -0.146 nan 8.230 nan 0.000 0.510 1320 P HA -0.094 nan 4.420 nan 0.000 0.218 1320 P C 1.157 178.490 177.300 0.056 0.000 1.149 1320 P CA 1.198 64.313 63.100 0.026 0.000 0.817 1320 P CB 0.282 31.984 31.700 0.003 0.000 0.785 1321 T N -0.170 114.387 114.554 0.005 0.000 2.737 1321 T HA -0.142 4.204 4.350 -0.006 0.000 0.265 1321 T C 2.040 176.810 174.700 0.116 0.000 1.038 1321 T CA 1.390 63.497 62.100 0.012 0.000 1.144 1321 T CB -0.711 68.068 68.868 -0.148 0.000 0.866 1321 T HN 0.073 nan 8.240 nan 0.000 0.434 1322 Q N 1.219 121.052 119.800 0.055 0.000 2.084 1322 Q HA -0.039 4.298 4.340 -0.006 0.000 0.202 1322 Q C 2.477 178.529 176.000 0.086 0.000 0.978 1322 Q CA 1.614 57.448 55.803 0.052 0.000 0.844 1322 Q CB -0.547 28.186 28.738 -0.009 0.000 0.898 1322 Q HN 0.436 nan 8.270 nan 0.000 0.426 1323 S N -0.579 115.178 115.700 0.095 0.000 2.371 1323 S HA -0.079 4.388 4.470 -0.006 0.000 0.224 1323 S C 2.016 176.725 174.600 0.182 0.000 1.029 1323 S CA 1.050 59.321 58.200 0.119 0.000 0.978 1323 S CB -0.274 62.977 63.200 0.085 0.000 0.833 1323 S HN 0.364 nan 8.310 nan 0.000 0.466 1324 S N 1.523 117.341 115.700 0.197 0.000 2.382 1324 S HA -0.162 4.305 4.470 -0.006 0.000 0.228 1324 S C 2.010 176.736 174.600 0.211 0.000 1.027 1324 S CA 1.381 59.731 58.200 0.250 0.000 0.991 1324 S CB -0.367 63.018 63.200 0.307 0.000 0.823 1324 S HN 0.434 nan 8.310 nan 0.000 0.469 1325 Q N 1.455 121.367 119.800 0.187 0.000 2.046 1325 Q HA 0.067 4.404 4.340 -0.006 0.000 0.200 1325 Q C 1.920 177.968 176.000 0.079 0.000 0.975 1325 Q CA 1.430 57.299 55.803 0.109 0.000 0.836 1325 Q CB -0.510 28.300 28.738 0.121 0.000 0.896 1325 Q HN 0.514 nan 8.270 nan 0.000 0.428 1326 L N -0.837 120.449 121.223 0.104 0.000 2.023 1326 L HA -0.130 4.206 4.340 -0.006 0.000 0.205 1326 L C 2.336 179.278 176.870 0.121 0.000 1.073 1326 L CA 1.456 56.351 54.840 0.092 0.000 0.745 1326 L CB -0.830 41.284 42.059 0.093 0.000 0.900 1326 L HN 0.288 nan 8.230 nan 0.000 0.435 1327 Y N 1.375 121.704 120.300 0.049 0.000 2.165 1327 Y HA -0.211 4.357 4.550 0.030 0.000 0.286 1327 Y C 2.345 178.243 175.900 -0.003 0.000 1.155 1327 Y CA 1.499 59.623 58.100 0.040 0.000 1.164 1327 Y CB -0.745 37.767 38.460 0.086 0.000 0.978 1327 Y HN 0.085 nan 8.280 nan 0.000 0.513 1328 G N -1.290 107.500 108.800 -0.018 0.000 2.440 1328 G HA2 -0.287 3.670 3.960 -0.006 0.000 0.218 1328 G HA3 -0.287 3.670 3.960 -0.006 0.000 0.218 1328 G C 1.677 176.484 174.900 -0.156 0.000 1.154 1328 G CA 1.560 46.586 45.100 -0.125 0.000 0.767 1328 G HN 0.437 nan 8.290 nan 0.000 0.552 1329 T N 1.272 115.773 114.554 -0.088 0.000 2.821 1329 T HA -0.107 4.239 4.350 -0.006 0.000 0.267 1329 T C 2.357 176.991 174.700 -0.111 0.000 1.046 1329 T CA 1.109 63.162 62.100 -0.078 0.000 1.139 1329 T CB -0.242 68.605 68.868 -0.034 0.000 0.871 1329 T HN 0.222 nan 8.240 nan 0.000 0.454 1330 N N 1.392 120.007 118.700 -0.141 0.000 2.149 1330 N HA -0.011 4.725 4.740 -0.006 0.000 0.188 1330 N C 1.844 177.212 175.510 -0.236 0.000 1.019 1330 N CA 0.915 53.865 53.050 -0.166 0.000 0.857 1330 N CB -0.423 37.964 38.487 -0.167 0.000 0.997 1330 N HN 0.376 nan 8.380 nan 0.000 0.426 1331 L N 0.291 121.307 121.223 -0.346 0.000 2.109 1331 L HA -0.068 4.269 4.340 -0.006 0.000 0.207 1331 L C 2.285 179.028 176.870 -0.212 0.000 1.086 1331 L CA 0.559 55.198 54.840 -0.335 0.000 0.760 1331 L CB -0.467 41.336 42.059 -0.427 0.000 0.910 1331 L HN -0.055 nan 8.230 nan 0.000 0.437 1332 V N 0.490 120.304 119.914 -0.167 0.000 2.287 1332 V HA -0.303 3.813 4.120 -0.006 0.000 0.248 1332 V C 2.237 178.288 176.094 -0.071 0.000 1.053 1332 V CA 1.974 64.214 62.300 -0.100 0.000 1.027 1332 V CB -0.650 31.130 31.823 -0.072 0.000 0.646 1332 V HN 0.509 nan 8.190 nan 0.000 0.447 1333 N N -0.153 118.500 118.700 -0.079 0.000 2.188 1333 N HA -0.115 4.622 4.740 -0.006 0.000 0.184 1333 N C 1.622 177.100 175.510 -0.053 0.000 1.018 1333 N CA 1.161 54.179 53.050 -0.054 0.000 0.858 1333 N CB -0.483 37.973 38.487 -0.052 0.000 0.989 1333 N HN 0.417 nan 8.380 nan 0.000 0.426 1334 L N 1.006 122.180 121.223 -0.083 0.000 2.046 1334 L HA -0.004 4.332 4.340 -0.006 0.000 0.208 1334 L C 1.878 178.721 176.870 -0.046 0.000 1.077 1334 L CA 1.335 56.131 54.840 -0.074 0.000 0.747 1334 L CB -0.547 41.444 42.059 -0.114 0.000 0.896 1334 L HN 0.086 nan 8.230 nan 0.000 0.432 1335 L N -0.823 120.367 121.223 -0.055 0.000 2.201 1335 L HA -0.182 4.155 4.340 -0.006 0.000 0.212 1335 L C 2.501 179.414 176.870 0.072 0.000 1.105 1335 L CA 1.042 55.882 54.840 -0.001 0.000 0.775 1335 L CB -0.525 41.500 42.059 -0.057 0.000 0.913 1335 L HN 0.249 nan 8.230 nan 0.000 0.440 1336 K N 0.146 120.568 120.400 0.037 0.000 2.147 1336 K HA -0.141 4.176 4.320 -0.006 0.000 0.205 1336 K C 2.043 178.660 176.600 0.028 0.000 1.049 1336 K CA 1.121 57.429 56.287 0.036 0.000 0.936 1336 K CB -0.092 32.415 32.500 0.013 0.000 0.722 1336 K HN 0.283 nan 8.250 nan 0.000 0.446 1337 L N 0.199 121.432 121.223 0.017 0.000 2.156 1337 L HA -0.128 4.208 4.340 -0.006 0.000 0.208 1337 L C 1.818 178.707 176.870 0.032 0.000 1.095 1337 L CA 0.353 55.204 54.840 0.017 0.000 0.770 1337 L CB -0.117 41.946 42.059 0.006 0.000 0.914 1337 L HN 0.131 nan 8.230 nan 0.000 0.439 1338 L N -1.267 119.983 121.223 0.045 0.000 2.395 1338 L HA -0.050 4.287 4.340 -0.006 0.000 0.218 1338 L C 1.029 177.949 176.870 0.083 0.000 1.130 1338 L CA 0.914 55.792 54.840 0.064 0.000 0.826 1338 L CB -0.296 41.802 42.059 0.065 0.000 0.941 1338 L HN 0.255 nan 8.230 nan 0.000 0.451 1339 C N -0.448 118.902 119.300 0.083 0.000 3.471 1339 C HA 0.204 4.661 4.460 -0.006 0.000 0.191 1339 C C 1.807 176.803 174.990 0.010 0.000 1.480 1339 C CA -0.835 58.217 59.018 0.058 0.000 1.281 1339 C CB -0.755 27.062 27.740 0.128 0.000 1.898 1339 C HN 0.320 nan 8.230 nan 0.000 0.533 1340 K N 0.535 120.938 120.400 0.005 0.000 2.147 1340 K HA -0.042 4.275 4.320 -0.006 0.000 0.205 1340 K C 1.079 177.666 176.600 -0.022 0.000 1.049 1340 K CA 1.045 57.329 56.287 -0.005 0.000 0.936 1340 K CB 0.235 32.734 32.500 -0.001 0.000 0.722 1340 K HN 0.645 nan 8.250 nan 0.000 0.446 1341 E N 0.722 120.901 120.200 -0.035 0.000 2.359 1341 E HA 0.067 4.413 4.350 -0.006 0.000 0.255 1341 E C 1.080 177.634 176.600 -0.077 0.000 1.191 1341 E CA -0.119 56.251 56.400 -0.049 0.000 0.952 1341 E CB 0.558 30.229 29.700 -0.048 0.000 1.152 1341 E HN -0.050 nan 8.360 nan 0.000 0.496 1342 K N 0.562 120.914 120.400 -0.080 0.000 1.984 1342 K HA -0.276 4.040 4.320 -0.006 0.000 0.232 1342 K C 1.059 177.563 176.600 -0.160 0.000 1.016 1342 K CA 2.639 58.867 56.287 -0.099 0.000 1.010 1342 K CB -0.039 32.407 32.500 -0.090 0.000 0.739 1342 K HN 0.700 nan 8.250 nan 0.000 0.450 1343 D N -4.749 115.500 120.400 -0.251 0.000 2.285 1343 D HA -0.035 4.602 4.640 -0.006 0.000 0.628 1343 D C 0.814 176.921 176.300 -0.322 0.000 0.853 1343 D CA 0.823 54.690 54.000 -0.221 0.000 1.175 1343 D CB -0.050 40.666 40.800 -0.141 0.000 1.489 1343 D HN 0.470 nan 8.370 nan 0.000 0.376 1344 G N 1.342 109.768 108.800 -0.624 0.000 2.157 1344 G HA2 -0.274 3.683 3.960 -0.006 0.000 0.248 1344 G HA3 -0.274 3.683 3.960 -0.006 0.000 0.248 1344 G C -0.112 174.567 174.900 -0.368 0.000 0.979 1344 G CA 0.419 45.005 45.100 -0.856 0.000 0.650 1344 G HN 0.674 nan 8.290 nan 0.000 0.529 1345 N N -0.144 118.430 118.700 -0.209 0.000 2.321 1345 N HA 0.676 5.412 4.740 -0.006 0.000 0.299 1345 N C -0.245 175.299 175.510 0.057 0.000 1.048 1345 N CA -0.765 52.274 53.050 -0.018 0.000 0.836 1345 N CB 0.933 39.399 38.487 -0.035 0.000 1.269 1345 N HN 0.156 nan 8.380 nan 0.000 0.486 1346 I N 2.181 122.817 120.570 0.110 0.000 2.336 1346 I HA 0.270 4.436 4.170 -0.006 0.000 0.292 1346 I C -0.400 175.751 176.117 0.056 0.000 0.991 1346 I CA -0.411 60.956 61.300 0.112 0.000 1.227 1346 I CB 1.642 39.716 38.000 0.124 0.000 1.366 1346 I HN 0.453 nan 8.210 nan 0.000 0.466 1347 T N 5.791 120.373 114.554 0.048 0.000 2.833 1347 T HA 0.265 4.612 4.350 -0.006 0.000 0.297 1347 T C -0.097 174.628 174.700 0.041 0.000 1.015 1347 T CA -0.393 61.725 62.100 0.029 0.000 0.963 1347 T CB 1.399 70.279 68.868 0.020 0.000 0.955 1347 T HN 0.186 nan 8.240 nan 0.000 0.449 1348 V N 3.774 123.707 119.914 0.032 0.000 2.276 1348 V HA 0.175 4.292 4.120 -0.006 0.000 0.249 1348 V C 0.317 176.459 176.094 0.080 0.000 1.160 1348 V CA -0.595 61.746 62.300 0.068 0.000 1.042 1348 V CB -0.200 31.647 31.823 0.040 0.000 1.224 1348 V HN 0.780 nan 8.190 nan 0.000 0.496 1349 D N 3.353 123.833 120.400 0.133 0.000 2.396 1349 D HA 0.252 4.888 4.640 -0.006 0.000 0.225 1349 D C 0.594 177.064 176.300 0.284 0.000 1.121 1349 D CA -0.508 53.575 54.000 0.139 0.000 0.853 1349 D CB 0.725 41.575 40.800 0.082 0.000 1.043 1349 D HN 0.257 nan 8.370 nan 0.000 0.500 1350 F N 1.648 121.599 119.950 0.003 0.000 2.771 1350 F HA 0.005 4.529 4.527 -0.005 0.000 0.299 1350 F C 1.579 177.379 175.800 -0.000 0.000 1.177 1350 F CA 0.249 58.250 58.000 0.002 0.000 1.450 1350 F CB -0.094 38.908 39.000 0.003 0.000 1.114 1350 F HN 0.416 nan 8.300 nan 0.000 0.587 1351 D N -0.742 119.755 120.400 0.161 0.000 2.317 1351 D HA -0.096 4.541 4.640 -0.006 0.000 0.211 1351 D C 0.663 176.988 176.300 0.043 0.000 0.966 1351 D CA 0.668 54.715 54.000 0.078 0.000 0.876 1351 D CB -0.161 40.674 40.800 0.059 0.000 0.927 1351 D HN 0.103 nan 8.370 nan 0.000 0.519 1352 D N 0.804 121.234 120.400 0.049 0.000 2.374 1352 D HA -0.016 4.620 4.640 -0.006 0.000 0.240 1352 D C 1.779 178.070 176.300 -0.016 0.000 1.229 1352 D CA -0.195 53.816 54.000 0.019 0.000 0.895 1352 D CB 1.254 42.072 40.800 0.031 0.000 1.046 1352 D HN -0.095 nan 8.370 nan 0.000 0.498 1353 V N 2.622 122.517 119.914 -0.032 0.000 2.546 1353 V HA -0.227 3.890 4.120 -0.006 0.000 0.254 1353 V C 1.926 177.978 176.094 -0.070 0.000 1.076 1353 V CA 1.191 63.453 62.300 -0.063 0.000 1.087 1353 V CB -0.828 30.968 31.823 -0.046 0.000 0.674 1353 V HN 0.387 nan 8.190 nan 0.000 0.470 1354 V N 0.247 120.134 119.914 -0.045 0.000 2.307 1354 V HA -0.147 3.969 4.120 -0.006 0.000 0.245 1354 V C 2.597 178.659 176.094 -0.052 0.000 1.045 1354 V CA 2.053 64.328 62.300 -0.042 0.000 1.024 1354 V CB -0.582 31.225 31.823 -0.026 0.000 0.651 1354 V HN 0.427 nan 8.190 nan 0.000 0.449 1355 I N 0.471 121.020 120.570 -0.036 0.000 2.226 1355 I HA -0.206 3.960 4.170 -0.006 0.000 0.245 1355 I C 2.613 178.661 176.117 -0.116 0.000 1.100 1355 I CA 1.712 63.003 61.300 -0.015 0.000 1.374 1355 I CB -1.307 36.736 38.000 0.072 0.000 1.057 1355 I HN 0.324 nan 8.210 nan 0.000 0.413 1356 R N 1.562 121.910 120.500 -0.253 0.000 2.096 1356 R HA -0.094 4.242 4.340 -0.006 0.000 0.235 1356 R C 2.324 178.399 176.300 -0.375 0.000 1.127 1356 R CA 1.738 57.475 56.100 -0.605 0.000 0.968 1356 R CB -1.113 28.874 30.300 -0.522 0.000 0.861 1356 R HN 0.347 nan 8.270 nan 0.000 0.440 1357 G N -0.708 107.976 108.800 -0.194 0.000 2.404 1357 G HA2 -0.205 3.751 3.960 -0.006 0.000 0.215 1357 G HA3 -0.205 3.751 3.960 -0.006 0.000 0.215 1357 G C 1.418 176.285 174.900 -0.055 0.000 1.174 1357 G CA 0.776 45.814 45.100 -0.105 0.000 0.780 1357 G HN 0.280 nan 8.290 nan 0.000 0.537 1358 V N 0.930 120.808 119.914 -0.059 0.000 2.719 1358 V HA 0.080 4.197 4.120 -0.006 0.000 0.252 1358 V C 1.224 177.312 176.094 -0.008 0.000 1.065 1358 V CA 1.344 63.621 62.300 -0.039 0.000 1.086 1358 V CB -0.243 31.547 31.823 -0.054 0.000 0.700 1358 V HN 0.234 nan 8.190 nan 0.000 0.467 1359 T N 1.130 115.685 114.554 0.002 0.000 2.738 1359 T HA 0.199 4.546 4.350 -0.006 0.000 0.294 1359 T C 0.947 175.720 174.700 0.122 0.000 0.914 1359 T CA 0.602 62.755 62.100 0.088 0.000 1.052 1359 T CB 1.169 70.171 68.868 0.224 0.000 0.897 1359 T HN 0.369 nan 8.240 nan 0.000 0.522 1360 V N 1.891 121.881 119.914 0.126 0.000 3.431 1360 V HA 0.496 4.613 4.120 -0.006 0.000 0.253 1360 V C 0.460 176.659 176.094 0.175 0.000 1.184 1360 V CA 0.418 62.827 62.300 0.182 0.000 1.104 1360 V CB -0.148 31.730 31.823 0.092 0.000 0.799 1360 V HN 0.675 nan 8.190 nan 0.000 0.462 1361 I N 1.107 121.757 120.570 0.133 0.000 2.533 1361 I HA 0.572 4.738 4.170 -0.006 0.000 0.290 1361 I C -0.518 175.671 176.117 0.120 0.000 1.056 1361 I CA -0.632 60.740 61.300 0.120 0.000 1.057 1361 I CB 2.339 40.385 38.000 0.077 0.000 1.240 1361 I HN 0.064 nan 8.210 nan 0.000 0.423 1362 R N 5.011 125.578 120.500 0.111 0.000 2.451 1362 R HA 0.598 4.935 4.340 -0.006 0.000 0.307 1362 R C -0.037 176.274 176.300 0.019 0.000 0.965 1362 R CA -0.284 55.853 56.100 0.061 0.000 0.865 1362 R CB 1.713 32.034 30.300 0.034 0.000 1.174 1362 R HN 0.902 nan 8.270 nan 0.000 0.455 1363 A N 3.046 125.872 122.820 0.010 0.000 2.511 1363 A HA -0.209 4.108 4.320 -0.006 0.000 0.297 1363 A C 1.105 178.697 177.584 0.014 0.000 1.476 1363 A CA 1.552 53.592 52.037 0.004 0.000 0.757 1363 A CB -1.977 17.014 19.000 -0.015 0.000 1.072 1363 A HN 1.648 nan 8.150 nan 0.000 0.413 1364 G N -1.948 106.868 108.800 0.027 0.000 2.199 1364 G HA2 -0.222 3.735 3.960 -0.006 0.000 0.254 1364 G HA3 -0.222 3.735 3.960 -0.006 0.000 0.254 1364 G C -0.168 174.754 174.900 0.038 0.000 0.982 1364 G CA 0.582 45.699 45.100 0.029 0.000 0.632 1364 G HN 1.134 nan 8.290 nan 0.000 0.529 1365 E N 0.126 120.353 120.200 0.046 0.000 2.151 1365 E HA 0.485 4.831 4.350 -0.006 0.000 0.275 1365 E C 0.149 176.805 176.600 0.093 0.000 0.936 1365 E CA -0.847 55.589 56.400 0.060 0.000 0.777 1365 E CB 1.612 31.341 29.700 0.049 0.000 1.108 1365 E HN 0.351 nan 8.360 nan 0.000 0.401 1366 I N 2.684 123.319 120.570 0.108 0.000 2.581 1366 I HA -0.094 4.072 4.170 -0.006 0.000 0.285 1366 I C 1.580 177.804 176.117 0.179 0.000 1.129 1366 I CA 0.622 62.015 61.300 0.155 0.000 1.397 1366 I CB 0.329 38.432 38.000 0.172 0.000 1.399 1366 I HN 0.546 nan 8.210 nan 0.000 0.537 1367 T N 1.370 116.053 114.554 0.215 0.000 3.040 1367 T HA 0.017 4.363 4.350 -0.006 0.000 0.250 1367 T C 0.009 174.822 174.700 0.189 0.000 1.058 1367 T CA -0.451 61.779 62.100 0.218 0.000 0.988 1367 T CB -0.126 68.938 68.868 0.327 0.000 0.993 1367 T HN 0.560 nan 8.240 nan 0.000 0.519 1368 W N 4.453 125.776 121.300 0.039 0.000 2.251 1368 W HA 0.497 5.154 4.660 -0.004 0.000 0.329 1368 W C -2.423 174.109 176.519 0.022 0.000 1.234 1368 W CA -1.928 55.427 57.345 0.015 0.000 1.228 1368 W CB 0.752 30.224 29.460 0.019 0.000 1.135 1368 W HN -0.064 nan 8.180 nan 0.000 0.576 1369 P HA 0.362 nan 4.420 nan 0.000 0.282 1369 P C -1.054 175.992 177.300 -0.424 0.000 1.259 1369 P CA -0.416 61.997 63.100 -1.146 0.000 0.826 1369 P CB 1.203 32.056 31.700 -1.412 0.000 1.064 1370 A N 2.979 125.640 122.820 -0.264 0.000 2.366 1370 A HA 0.530 4.847 4.320 -0.006 0.000 0.249 1370 A C -1.919 175.563 177.584 -0.171 0.000 1.084 1370 A CA -0.936 50.988 52.037 -0.188 0.000 0.794 1370 A CB -1.488 17.416 19.000 -0.160 0.000 1.034 1370 A HN 0.459 nan 8.150 nan 0.000 0.491 1371 P HA 0.365 nan 4.420 nan 0.000 0.272 1371 P C -2.492 174.757 177.300 -0.085 0.000 1.230 1371 P CA -1.008 62.030 63.100 -0.103 0.000 0.788 1371 P CB -0.685 30.968 31.700 -0.078 0.000 0.949 1372 P HA 0.035 nan 4.420 nan 0.000 0.263 1372 P C -0.233 177.040 177.300 -0.044 0.000 1.175 1372 P CA 0.495 63.565 63.100 -0.049 0.000 0.761 1372 P CB 0.058 31.733 31.700 -0.041 0.000 0.794 1373 I N 3.381 123.929 120.570 -0.037 0.000 2.533 1373 I HA 0.044 4.210 4.170 -0.006 0.000 0.284 1373 I C 0.840 176.942 176.117 -0.025 0.000 1.109 1373 I CA 0.679 61.959 61.300 -0.033 0.000 1.412 1373 I CB 0.058 38.041 38.000 -0.028 0.000 1.396 1373 I HN 0.225 nan 8.210 nan 0.000 0.543 1374 Q N 6.484 126.270 119.800 -0.024 0.000 2.695 1374 Q HA 0.365 4.702 4.340 -0.006 0.000 0.246 1374 Q C -1.223 174.768 176.000 -0.015 0.000 0.961 1374 Q CA -0.516 55.276 55.803 -0.018 0.000 0.708 1374 Q CB 2.179 30.906 28.738 -0.019 0.000 1.282 1374 Q HN 0.603 nan 8.270 nan 0.000 0.482 1375 V N -1.033 118.873 119.914 -0.012 0.000 2.547 1375 V HA 0.663 4.780 4.120 -0.006 0.000 0.299 1375 V C 0.315 176.405 176.094 -0.007 0.000 1.040 1375 V CA -0.686 61.608 62.300 -0.009 0.000 0.913 1375 V CB 1.795 33.613 31.823 -0.009 0.000 0.992 1375 V HN 0.503 nan 8.190 nan 0.000 0.449 1376 S N 0.000 115.697 115.700 -0.005 0.000 2.498 1376 S HA 0.000 4.467 4.470 -0.006 0.000 0.327 1376 S CA 0.000 58.198 58.200 -0.004 0.000 1.107 1376 S CB 0.000 63.199 63.200 -0.002 0.000 0.593 1376 S HN 0.000 nan 8.310 nan 0.000 0.517